
      ##############################
      ##                          ##
      ##  Force Field Definition  ##
      ##                          ##
      ##############################


   ################################################################
   ##                                                            ##
   ##  Note that in MM3 for Peptides and Proteins the default    ##
   ##  value for the dielectric constant is set to 4.0 to mimic  ##
   ##  the crystal/bulk environment, instead of the usual MM3    ##
   ##  default of 1.5 intended to model gas phase species.       ##
   ##                                                            ##
   ################################################################


forcefield              MM3-PROTEIN

bondunit                71.94
bond-cubic              -2.55
bond-quartic            3.793125        !! (7/12) * bond-cubic^2
angleunit               0.02191418
angle-cubic             -0.014
angle-quartic           0.000056
angle-pentic            -0.0000007
angle-sextic            0.000000022
strbndunit              2.51118
angangunit              -0.02191418
opbendunit              0.02191418
torsionunit             0.5
strtorunit              -5.9975
vdwtype                 MM3-HBOND
radiusrule              ARITHMETIC
radiustype              R-MIN
radiussize              RADIUS
epsilonrule             GEOMETRIC
a-expterm               184000.0
b-expterm               12.0
c-expterm               2.25
vdw-14-scale            1.0
chg-14-scale            1.0
dielectric              4.0


      #############################
      ##                         ##
      ##  Literature References  ##
      ##                         ##
      #############################


J.-H. Lii and N. L. Allinger, "The MM3 Force Field for Amides,
Polypeptides and Proteins", J. Comput. Chem., 12, 186-199 (1991)

All parameters in this file are from the "MM3 PARAMETERS (2000)",
as provided by Prof. N. L. Allinger, University of Georgia


      #############################
      ##                         ##
      ##  Atom Type Definitions  ##
      ##                         ##
      #############################


atom      1    C     "Alkane (Csp3)"           6     12.000     4
atom      2    C     "Amide"                   6     12.000     3
atom      3    C     "Carboxyl"                6     12.000     3
atom      4    C     "Phenyl"                  6     12.000     3
atom      5    C+    "Guanidinium"             6     12.000     3
atom      6    C     "Alkene (His/Trp C=C)"    6     12.000     3
atom      7    C     "Imidazolium (N-C-N)"     6     12.000     3
atom      8    N     "Amide"                   7     14.003     3
atom      9    N+    "Ammonium"                7     14.003     4
atom     10    N     "Guanidinium"             7     14.003     3
atom     11    N     "Pyrrole"                 7     14.003     3
atom     12    N     "Imidazolium"             7     14.003     3
atom     13    O     "Amide"                   8     15.995     1
atom     14    O-    "Carboxylate"             8     15.995     1
atom     15    O     "Alcohol & Phenol"        8     15.995     2
atom     16    S     "Sulfide"                16     31.972     2
atom     17    H     "Hydrogen (C-H)"          1      1.008     1
atom     18    H     "Amide"                   1      1.008     1
atom     19    H     "Ammonium"                1      1.008     1
atom     20    H     "Guanidinium"             1      1.008     1
atom     21    H     "Pyrrole"                 1      1.008     1
atom     22    H     "Imidazolium"             1      1.008     1
atom     23    H     "Alcohol & Phenol"        1      1.008     1
atom     24    H     "Thiol (S-H)"             1      1.008     1


      ################################
      ##                            ##
      ##  Van der Waals Parameters  ##
      ##                            ##
      ################################


vdw           1               2.040      0.027
vdw           2               1.940      0.056
vdw           3               1.940      0.056
vdw           4               1.960      0.056
vdw           5               1.940      0.056
vdw           6               1.960      0.056
vdw           7               1.940      0.056
vdw           8               1.930      0.043
vdw           9               1.930      0.043
vdw          10               1.930      0.043
vdw          11               1.930      0.043
vdw          12               1.930      0.043
vdw          13               1.820      0.059
vdw          14               1.820      0.059
vdw          15               1.820      0.059
vdw          16               2.150      0.202
vdw          17               1.620      0.020      0.923
vdw          18               1.600      0.015      0.923
vdw          19               1.600      0.034      0.923
vdw          20               1.600      0.015      0.923
vdw          21               1.600      0.018      0.923
vdw          22               1.600      0.034      0.923
vdw          23               1.600      0.016      0.923
vdw          24               1.620      0.020      0.923


      ###################################
      ##                               ##
      ##  Hydrogen Bonding Parameters  ##
      ##                               ##
      ###################################


hbond         1   17          3.560      0.023
hbond         4   18          3.000      0.750
hbond         4   19          3.000      0.750
hbond         4   20          3.000      0.750
hbond         4   21          3.000      0.750
hbond         4   22          3.000      0.750
hbond         4   23          3.000      0.750
hbond         6   18          3.000      0.750
hbond         6   19          3.000      0.750
hbond         6   20          3.000      0.750
hbond         6   21          3.000      0.750
hbond         6   22          3.000      0.750
hbond         6   23          3.000      0.750
hbond        13   18          2.030      5.100
hbond        13   19          2.140      0.600
hbond        13   20          2.140      0.600
hbond        13   21          2.140      0.600
hbond        13   22          2.140      0.600
hbond        13   23          2.140      3.975
hbond        14   18          2.030      4.125
hbond        14   19          2.000      5.100
hbond        14   23          2.150      3.150
hbond        15   18          2.250      3.150
hbond        15   19          1.820      0.900
hbond        15   20          1.820      0.900
hbond        15   21          1.820      0.900
hbond        15   22          1.820      0.900
hbond        15   23          1.820      3.300
hbond        16   18          2.510      0.300
hbond        16   19          2.510      0.300
hbond        16   20          2.510      0.300
hbond        16   21          2.510      0.300
hbond        16   22          2.510      0.300
hbond        16   23          2.680      1.350
hbond        16   24          2.550      0.300


      ##################################
      ##                              ##
      ##  Bond Stretching Parameters  ##
      ##                              ##
      ##################################


   ########################################################################
   ##                                                                    ##
   ##  Note that in MM3 for Peptides and Proteins the amide C=O and C-N  ##
   ##  bond lengths are dielectric constant dependent. Values are given  ##
   ##  in this file, for D < 1.8, 1.8 < D < 3.8, and D > 3.8. Since the  ##
   ##  recommended values for general bulk phase calculations are those  ##
   ##  for D > 3.8, they are activated below.                            ##
   ##                                                                    ##
   ##      Dielectric Dependent Values for Amide C-N and C=O Bonds       ##
   ##                                                                    ##
   ##        Bond Type      Dielectric Constant      Bond Length         ##
   ##                                                                    ##
   ##          2 - 8              D < 1.8               1.3770           ##
   ##                          1.8 < D < 3.8            1.3540           ##
   ##                             D > 3.8               1.3310           ##
   ##                                                                    ##
   ##         2 - 13              D < 1.8               1.2180           ##
   ##                          1.8 < D < 3.8            1.2255           ##
   ##                             D > 3.8               1.2330           ##
   ##                                                                    ##
   ########################################################################


bond          1    1         4.4900     1.5247
bond          1    2         4.8000     1.5090
bond          1    3         4.8000     1.5090
bond          1    4         6.3000     1.4990
bond          1    6         6.3000     1.4990
bond          1    8         5.2100     1.4460
bond          1    9         3.9500     1.4730
bond          1   10         5.2100     1.4460
bond          1   15         5.7000     1.4130
bond          1   16         3.0000     1.8050
bond          1   17         4.7400     1.1120
#bond         2    8         6.7000     1.3770
#bond         2    8         6.7000     1.3540
bond          2    8         6.7000     1.3310
#bond         2   13         9.2000     1.2180
#bond         2   13         9.2000     1.2255
bond          2   13         9.2000     1.2330
bond          2   17         4.3700     1.1180
bond          3   14         7.5700     1.2500
bond          4    4         6.5600     1.3887
bond          4    6         4.8000     1.4800
bond          4   11         8.0000     1.3500
bond          4   15         6.0000     1.3550
bond          4   17         5.1500     1.1010
bond          5   10         6.8300     1.3250
bond          6    6         7.5000     1.3320
bond          6   11         8.0000     1.3500
bond          6   12         8.0000     1.3500
bond          6   17         5.1500     1.1010
bond          7   12         8.0000     1.3500
bond          7   17         4.6000     1.1010
bond          8   18         6.7700     1.0280
bond          9   19         6.1000     1.0450
bond         10   20         6.7700     1.0280
bond         11   21         6.1000     1.0500
bond         12   22         6.1000     1.0450
bond         15   23         7.6300     0.9470
bond         16   16         2.6200     2.0150
bond         16   24         3.8700     1.3420


      ################################
      ##                            ##
      ##  Angle Bending Parameters  ##
      ##                            ##
      ################################


angle         1    1    1     0.670    109.500    110.200    111.000
angle         1    1    2     0.800    110.600
angle         1    1    3     0.800    110.600
angle         1    1    4     0.540    110.600
angle         1    1    6     0.540    110.600    109.800    110.600
angle         1    1    8     0.750    109.480    111.300    111.800
angle         1    1    9     0.570    103.500    102.700    103.900
angle         1    1   10     0.750    109.480    111.300    111.800
angle         1    1   15     0.830    107.500    107.000    107.900
angle         1    1   16     0.740    108.000    109.500    110.100
angle         1    1   17     0.590    109.800    109.310    110.700
angle         2    1    8     0.850    109.500    110.600    112.300
angle         2    1    9     1.045    110.740
angle         2    1   17     0.540    109.490
angle         3    1    8     0.850    109.500    110.600    112.300
angle         3    1   17     0.540    109.490
angle         4    1   17     0.550    109.500    109.310    110.400
angle         6    1   17     0.550    109.500    109.310    110.400
angle         8    1   17     0.760    111.000
angle         9    1   17     0.500    108.800
angle        10    1   17     0.760    111.000
angle        15    1   17     0.820    110.000    108.900    108.700
angle        16    1   17     0.740    110.800    110.800    108.000
angle        17    1   17     0.550    107.600    107.800    109.470
angle         1    2    8     0.570    114.400
angle         1    2   13     0.850    123.500
angle         8    2   13     1.070    124.800
angle         8    2   17     0.440    109.300
angle        13    2   17     0.850    119.200
angle         1    3   14     0.850    125.100
angle        14    3   14     0.800    134.000
angle         1    4    4     0.470    122.300
angle         4    4    4     0.760    121.700
angle         4    4    6     0.760    121.700
angle         4    4   11     0.430    120.000    119.000
angle         4    4   15     0.600    120.000
angle         4    4   17     0.490    120.000    120.500
angle        10    5   10     0.400    120.000
angle         1    6    4     0.470    122.300
angle         1    6    6     0.470    122.300
angle         1    6   12     0.430    120.000
angle         4    6    6     0.760    122.000    121.700
angle         6    6   11     0.430    120.000    119.000
angle         6    6   12     0.800    120.000
angle         6    6   17     0.490    120.000    120.500
angle        11    6   17     0.400    113.500
angle        12    6   17     0.400    113.500
angle        12    7   12     0.400    120.000
angle        12    7   17     0.400    120.000
angle         1    8    1     0.760    122.500
angle         1    8    2     1.620    121.100
angle         1    8   18     0.190    122.400
angle         2    8   18     0.580    118.500
angle        18    8   18     0.410    123.000
angle         1    9    1     0.630    108.600    111.200    115.400
angle         1    9   19     0.500    109.470
angle        19    9   19     0.500    104.500
angle         1   10    5     0.730    120.400
angle         1   10   20     0.190    122.400
angle         5   10   20     0.580    120.500
angle        20   10   20     0.410    123.000
angle         4   11    6     0.430    124.000
angle         4   11   21     0.360    118.000
angle         6   11   21     0.360    118.000
angle         6   12    7     0.430    115.000
angle         6   12   22     0.500    110.000
angle         7   12   22     0.500    110.000
angle         1   15   23     0.750    106.800
angle         4   15   23     0.360    109.000
angle        23   15   23     0.630    105.000
angle         1   16    1     0.840     95.900
angle         1   16   16     1.000    102.000
angle         1   16   24     0.650     96.000


      ###############################
      ##                           ##
      ##  Stretch-Bend Parameters  ##
      ##                           ##
      ###############################


strbnd        1       0.130     0.080     0.000
strbnd        2       0.130     0.080     0.000
strbnd        3       0.130     0.080     0.000
strbnd        4       0.130     0.080     0.000
strbnd        5       0.130     0.080     0.000
strbnd        6       0.130     0.080     0.000
strbnd        7       0.130     0.080     0.000
strbnd        8       0.050     0.030     0.000
strbnd        9       0.050     0.030     0.000
strbnd       10       0.050     0.030     0.000
strbnd       11       0.100     0.030     0.000
strbnd       12       0.100     0.030     0.000
strbnd       15       0.100     0.090     0.000
strbnd       16      -0.040     0.010     0.000


      ####################################
      ##                                ##
      ##  Out-of-Plane Bend Parameters  ##
      ##                                ##
      ####################################


opbend        2    1          0.590
opbend        2    8          1.500
opbend        2   13          0.650
opbend        2   17          1.150
opbend        3    1          0.590
opbend        3   14          0.800
opbend        4    1          0.100
opbend        4    4          0.200
opbend        4    6          0.200
opbend        4   11          0.050
opbend        4   15          0.050
opbend        4   17          0.110
opbend        5   10          0.020
opbend        6    1          0.100
opbend        6    4          0.200
opbend        6    6          0.200
opbend        6   11          0.050
opbend        6   12          0.050
opbend        6   17          0.110
opbend        7   12          0.050
opbend        7   17          0.050
opbend        8    1          0.010
opbend        8    2          0.050
opbend        8   18          0.020
opbend       10    1          0.010
opbend       10    5          0.050
opbend       10   20          0.020
opbend       11    4          0.050
opbend       11    6          0.050
opbend       11   21          0.050
opbend       12    6          0.050
opbend       12    7          0.050
opbend       12   22          0.050


      ############################
      ##                        ##
      ##  Torsional Parameters  ##
      ##                        ##
      ############################


   ####################################################################
   ##                                                                ##
   ##  Note that in MM3 for Peptides and Proteins, the torsions      ##
   ##  across the amide C-N bond are dielectric constant dependent.  ##
   ##  Values are given in this file for low and high dielectric     ##
   ##  environments. At high dielectric (D > 4.0) 2-fold torsions    ##
   ##  are increased 65% from the low dielectric, gas phase values.  ##
   ##  Since the recommended values for bulk phase calculations      ##
   ##  are those for high dielectric, they are activated below.      ##
   ##                                                                ##
   ####################################################################


torsion      1    1    1    1      0.185 0.0 1    0.170 180.0 2    0.520 0.0 3
torsion      1    1    1    2      0.000 0.0 1    0.400 180.0 2    0.010 0.0 3
torsion      1    1    1    3      0.000 0.0 1    0.400 180.0 2    0.010 0.0 3
torsion      1    1    1    8      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    1    9      0.100 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      1    1    1   10      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    1   16      0.000 0.0 1    0.200 180.0 2    0.400 0.0 3
torsion      1    1    1   17      0.000 0.0 1    0.000 180.0 2    0.280 0.0 3
torsion      2    1    1    2      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      2    1    1    3      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      2    1    1    4      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1    6      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1    8      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1    9      0.000 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      2    1    1   15      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1   16      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      2    1    1   17      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    3      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      3    1    1    4      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    6      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    8      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    9      0.000 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      3    1    1   15      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1   16      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      3    1    1   17      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      4    1    1    8      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      4    1    1    9      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      4    1    1   17      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      6    1    1    8      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    1    9      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      6    1    1   17      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      8    1    1   15      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    1   16      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      8    1    1   17      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      9    1    1   15      0.000 0.0 1   -0.600 180.0 2    0.300 0.0 3
torsion      9    1    1   16      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      9    1    1   17     -0.150 0.0 1    0.000 180.0 2    0.150 0.0 3
torsion     10    1    1   17      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion     15    1    1   17      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion     16    1    1   17      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion     17    1    1   17      0.000 0.0 1    0.000 180.0 2    0.238 0.0 3
torsion      1    1    2    8      0.700 0.0 1   -1.100 180.0 2    0.300 0.0 3
torsion      1    1    2   13     -0.457 0.0 1    1.106 180.0 2   -0.160 0.0 3
torsion      8    1    2    8     -0.700 0.0 1    0.700 180.0 2    0.200 0.0 3
torsion      8    1    2   13      0.100 0.0 1    0.700 180.0 2    2.100 0.0 3
torsion      9    1    2    8      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      9    1    2   13      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     17    1    2    8      0.000 0.0 1    0.000 180.0 2    0.230 0.0 3
torsion     17    1    2   13     -0.154 0.0 1    0.044 180.0 2   -0.086 0.0 3
torsion      1    1    3   14     -0.400 0.0 1    1.000 180.0 2    0.000 0.0 3
torsion      8    1    3   14      0.000 0.0 1    0.800 180.0 2    1.500 0.0 3
torsion     17    1    3   14      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      1    1    4    4     -0.800 0.0 1   -0.100 180.0 2   -0.550 0.0 3
torsion     17    1    4    4      0.000 0.0 1    0.000 180.0 2   -0.090 0.0 3
torsion      1    1    6    4     -0.700 0.0 1   -0.200 180.0 2   -0.550 0.0 3
torsion      1    1    6    6     -0.700 0.0 1   -0.200 180.0 2   -0.550 0.0 3
torsion      1    1    6   12      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     17    1    6    4      0.000 0.0 1    0.000 180.0 2   -0.090 0.0 3
torsion     17    1    6    6      0.000 0.0 1    0.000 180.0 2   -0.090 0.0 3
torsion     17    1    6   12      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    8    1      0.000 0.0 1    0.000 180.0 2    0.910 0.0 3
torsion      1    1    8    2     -0.300 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion      1    1    8   18      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion      2    1    8    1      0.000 0.0 1    0.000 180.0 2    0.457 0.0 3
torsion      2    1    8    2      2.300 0.0 1   -1.200 180.0 2    0.800 0.0 3
torsion      2    1    8   18      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion      3    1    8    2      2.300 0.0 1   -1.200 180.0 2    0.800 0.0 3
torsion      3    1    8   18      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion     17    1    8    1      0.000 0.0 1    0.000 180.0 2    0.460 0.0 3
torsion     17    1    8    2      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion     17    1    8   18      0.000 0.0 1    0.000 180.0 2    0.080 0.0 3
torsion      1    1    9    1     -0.200 0.0 1    0.730 180.0 2    0.800 0.0 3
torsion      1    1    9   19      0.000 0.0 1    0.120 180.0 2    0.100 0.0 3
torsion      2    1    9    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    9   19      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion     17    1    9    1      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion     17    1    9   19      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion      1    1   10    5      0.000 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion      1    1   10   20      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion     17    1   10    5      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     17    1   10   20      0.000 0.0 1    0.000 180.0 2    0.080 0.0 3
torsion      1    1   15   23      0.400 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     17    1   15   23      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      1    1   16    1     -0.440 0.0 1   -0.260 180.0 2    0.600 0.0 3
torsion      1    1   16   16     -0.200 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   16   24     -0.500 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion     17    1   16    1      0.000 0.0 1    0.000 180.0 2    0.660 0.0 3
torsion     17    1   16   16      0.300 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion     17    1   16   24      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
#torsion     1    2    8    1      1.100 0.0 1    3.800 180.0 2    0.000 0.0 3
#torsion     1    2    8   18      0.000 0.0 1    3.800 180.0 2    0.000 0.0 3
#torsion    13    2    8    1     -0.600 0.0 1    4.200 180.0 2    0.000 0.0 3
#torsion    13    2    8   18      1.000 0.0 1    4.100 180.0 2    0.000 0.0 3
#torsion    17    2    8    1      1.000 0.0 1    3.900 180.0 2    0.000 0.0 3
#torsion    17    2    8   18      0.000 0.0 1    4.600 180.0 2    0.000 0.0 3
torsion      1    2    8    1      1.100 0.0 1    6.270 180.0 2    0.000 0.0 3
torsion      1    2    8   18      0.000 0.0 1    6.270 180.0 2    0.000 0.0 3
torsion     13    2    8    1     -0.600 0.0 1    6.930 180.0 2    0.000 0.0 3
torsion     13    2    8   18      1.000 0.0 1    6.765 180.0 2    0.000 0.0 3
torsion     17    2    8    1      1.000 0.0 1    6.435 180.0 2    0.000 0.0 3
torsion     17    2    8   18      0.000 0.0 1    7.590 180.0 2    0.000 0.0 3
torsion      1    4    4    4     -0.610 0.0 1    4.212 180.0 2    0.000 0.0 3
torsion      1    4    4   17      0.000 0.0 1    6.104 180.0 2    0.000 0.0 3
torsion      4    4    4    4     -0.670 0.0 1    4.304 180.0 2    0.000 0.0 3
torsion      4    4    4    6     -0.670 0.0 1    4.304 180.0 2    0.000 0.0 3
torsion      4    4    4   11      0.000 0.0 1    5.470 180.0 2    0.000 0.0 3
torsion      4    4    4   15      0.000 0.0 1    5.470 180.0 2    0.000 0.0 3
torsion      4    4    4   17      0.250 0.0 1    5.534 180.0 2   -0.550 0.0 3
torsion      4    4    6    1      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      4    4    6    6      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      6    4    4   11      0.000 0.0 1    5.470 180.0 2    0.000 0.0 3
torsion      6    4    4   17      0.000 0.0 1    5.470 180.0 2    0.000 0.0 3
torsion     11    4    4   17      0.000 0.0 1    5.470 180.0 2    0.000 0.0 3
torsion     15    4    4   17      0.000 0.0 1    5.470 180.0 2    0.000 0.0 3
torsion     17    4    4   17      0.000 0.0 1    7.072 180.0 2    0.000 0.0 3
torsion      4    4   11    6      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      4    4   11   21      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      4    4   15   23      0.000 0.0 1    2.300 180.0 2    0.000 0.0 3
torsion     10    5   10    1      0.000 0.0 1    4.500 180.0 2    0.000 0.0 3
torsion     10    5   10   20      0.000 0.0 1    4.500 180.0 2    0.000 0.0 3
torsion      1    6    6   11      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      1    6    6   12      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      1    6    6   17      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      4    6    6   11      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      4    6    6   17      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     12    6    6   12      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     12    6    6   17      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      6    6   11    4      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      6    6   11   21      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     17    6   11    4      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     17    6   11   21      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      1    6   12    7      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      1    6   12   22      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      6    6   12    7      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      6    6   12   22      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     17    6   12    7      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     17    6   12   22      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     12    7   12    6      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     12    7   12   22      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     17    7   12    6      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion     17    7   12   22      0.000 0.0 1    6.000 180.0 2    0.000 0.0 3
torsion      1   16   16    1      1.850 0.0 1   -7.555 180.0 2    2.340 0.0 3


      ########################################
      ##                                    ##
      ##  Atomic Partial Charge Parameters  ##
      ##                                    ##
      ########################################


charge        5               1.000
charge        7               0.500
charge        9               1.000
charge       12               0.250
charge       14              -0.500


      #####################################
      ##                                 ##
      ##  Bond Dipole Moment Parameters  ##
      ##                                 ##
      #####################################


dipole        1    2         1.0100      0.500
dipole        1    3         1.0100      0.500
dipole        1    4         0.9000      0.500
dipole        1    6         0.9000      0.500
dipole        1    8         1.6500      0.500
dipole        1    9         1.8000      0.500
dipole        1   10         1.6500      0.500
dipole        1   15         1.1700      0.500
dipole        1   16         1.2000      0.500
dipole        2    8        -0.7200      0.500
dipole        2   13         1.8600      0.500
dipole        2   17        -0.6000      0.500
dipole        3   14         1.9000      0.500
dipole        4   11         0.8700      0.500
dipole        4   17        -0.6000      0.500
dipole        5   10         0.7200      0.500
dipole        6   11         0.8700      0.500
dipole        6   12         1.3000      0.500
dipole        6   17        -0.6000      0.500
dipole        7   12         0.7200      0.500
dipole        8   18        -1.5800      0.500
dipole        9   19        -0.6000      0.500
dipole       10   20        -1.5800      0.500
dipole       11   21        -0.5500      0.500
dipole       12   22        -1.5800      0.500
dipole       15   23        -1.6700      0.500


      ########################################
      ##                                    ##
      ##  Biopolymer Atom Type Conversions  ##
      ##                                    ##
      ########################################


biotype      1    N       "Glycine"                   8
biotype      2    CA      "Glycine"                   1
biotype      3    C       "Glycine"                   2
biotype      4    HN      "Glycine"                  18
biotype      5    O       "Glycine"                  13
biotype      6    HA      "Glycine"                  17
biotype      7    N       "Alanine"                   8
biotype      8    CA      "Alanine"                   1
biotype      9    C       "Alanine"                   2
biotype     10    HN      "Alanine"                  18
biotype     11    O       "Alanine"                  13
biotype     12    HA      "Alanine"                  17
biotype     13    CB      "Alanine"                   1
biotype     14    HB      "Alanine"                  17
biotype     15    N       "Valine"                    8
biotype     16    CA      "Valine"                    1
biotype     17    C       "Valine"                    2
biotype     18    HN      "Valine"                   18
biotype     19    O       "Valine"                   13
biotype     20    HA      "Valine"                   17
biotype     21    CB      "Valine"                    1
biotype     22    HB      "Valine"                   17
biotype     23    CG1     "Valine"                    1
biotype     24    HG1     "Valine"                   17
biotype     25    CG2     "Valine"                    1
biotype     26    HG2     "Valine"                   17
biotype     27    N       "Leucine"                   8
biotype     28    CA      "Leucine"                   1
biotype     29    C       "Leucine"                   2
biotype     30    HN      "Leucine"                  18
biotype     31    O       "Leucine"                  13
biotype     32    HA      "Leucine"                  17
biotype     33    CB      "Leucine"                   1
biotype     34    HB      "Leucine"                  17
biotype     35    CG      "Leucine"                   1
biotype     36    HG      "Leucine"                  17
biotype     37    CD1     "Leucine"                   1
biotype     38    HD1     "Leucine"                  17
biotype     39    CD2     "Leucine"                   1
biotype     40    HD2     "Leucine"                  17
biotype     41    N       "Isoleucine"                8
biotype     42    CA      "Isoleucine"                1
biotype     43    C       "Isoleucine"                2
biotype     44    HN      "Isoleucine"               18
biotype     45    O       "Isoleucine"               13
biotype     46    HA      "Isoleucine"               17
biotype     47    CB      "Isoleucine"                1
biotype     48    HB      "Isoleucine"               17
biotype     49    CG1     "Isoleucine"                1
biotype     50    HG1     "Isoleucine"               17
biotype     51    CG2     "Isoleucine"                1
biotype     52    HG2     "Isoleucine"               17
biotype     53    CD      "Isoleucine"                1
biotype     54    HD      "Isoleucine"               17
biotype     55    N       "Serine"                    8
biotype     56    CA      "Serine"                    1
biotype     57    C       "Serine"                    2
biotype     58    HN      "Serine"                   18
biotype     59    O       "Serine"                   13
biotype     60    HA      "Serine"                   17
biotype     61    CB      "Serine"                    1
biotype     62    HB      "Serine"                   17
biotype     63    OG      "Serine"                   15
biotype     64    HG      "Serine"                   23
biotype     65    N       "Threonine"                 8
biotype     66    CA      "Threonine"                 1
biotype     67    C       "Threonine"                 2
biotype     68    HN      "Threonine"                18
biotype     69    O       "Threonine"                13
biotype     70    HA      "Threonine"                17
biotype     71    CB      "Threonine"                 1
biotype     72    HB      "Threonine"                17
biotype     73    OG1     "Threonine"                15
biotype     74    HG1     "Threonine"                23
biotype     75    CG2     "Threonine"                 1
biotype     76    HG2     "Threonine"                17
biotype     77    N       "Cysteine (-SH)"            8
biotype     78    CA      "Cysteine (-SH)"            1
biotype     79    C       "Cysteine (-SH)"            2
biotype     80    HN      "Cysteine (-SH)"           18
biotype     81    O       "Cysteine (-SH)"           13
biotype     82    HA      "Cysteine (-SH)"           17
biotype     83    CB      "Cysteine (-SH)"            1
biotype     84    HB      "Cysteine (-SH)"           17
biotype     85    SG      "Cysteine (-SH)"           16
biotype     86    HG      "Cysteine (-SH)"           24
biotype     87    N       "Cystine (-SS-)"            8
biotype     88    CA      "Cystine (-SS-)"            1
biotype     89    C       "Cystine (-SS-)"            2
biotype     90    HN      "Cystine (-SS-)"           18
biotype     91    O       "Cystine (-SS-)"           13
biotype     92    HA      "Cystine (-SS-)"           17
biotype     93    CB      "Cystine (-SS-)"            1
biotype     94    HB      "Cystine (-SS-)"           17
biotype     95    SG      "Cystine (-SS-)"           16
biotype     96    N       "Proline"                   8
biotype     97    CA      "Proline"                   1
biotype     98    C       "Proline"                   2
biotype     99    O       "Proline"                  13
biotype    100    HA      "Proline"                  17
biotype    101    CB      "Proline"                   1
biotype    102    HB      "Proline"                  17
biotype    103    CG      "Proline"                   1
biotype    104    HG      "Proline"                  17
biotype    105    CD      "Proline"                   1
biotype    106    HD      "Proline"                  17
biotype    107    N       "Phenylalanine"             8
biotype    108    CA      "Phenylalanine"             1
biotype    109    C       "Phenylalanine"             2
biotype    110    HN      "Phenylalanine"            18
biotype    111    O       "Phenylalanine"            13
biotype    112    HA      "Phenylalanine"            17
biotype    113    CB      "Phenylalanine"             1
biotype    114    HB      "Phenylalanine"            17
biotype    115    CG      "Phenylalanine"             4
biotype    116    CD      "Phenylalanine"             4
biotype    117    HD      "Phenylalanine"            17
biotype    118    CE      "Phenylalanine"             4
biotype    119    HE      "Phenylalanine"            17
biotype    120    CZ      "Phenylalanine"             4
biotype    121    HZ      "Phenylalanine"            17
biotype    122    N       "Tyrosine"                  8
biotype    123    CA      "Tyrosine"                  1
biotype    124    C       "Tyrosine"                  2
biotype    125    HN      "Tyrosine"                 18
biotype    126    O       "Tyrosine"                 13
biotype    127    HA      "Tyrosine"                 17
biotype    128    CB      "Tyrosine"                  1
biotype    129    HB      "Tyrosine"                 17
biotype    130    CG      "Tyrosine"                  4
biotype    131    CD      "Tyrosine"                  4
biotype    132    HD      "Tyrosine"                 17
biotype    133    CE      "Tyrosine"                  4
biotype    134    HE      "Tyrosine"                 17
biotype    135    CZ      "Tyrosine"                  4
biotype    136    OH      "Tyrosine"                 15
biotype    137    HH      "Tyrosine"                 23
biotype    138    N       "Tryptophan"                8
biotype    139    CA      "Tryptophan"                1
biotype    140    C       "Tryptophan"                2
biotype    141    HN      "Tryptophan"               18
biotype    142    O       "Tryptophan"               13
biotype    143    HA      "Tryptophan"               17
biotype    144    CB      "Tryptophan"                1
biotype    145    HB      "Tryptophan"               17
biotype    146    CG      "Tryptophan"                6
biotype    147    CD1     "Tryptophan"                6
biotype    148    HD1     "Tryptophan"               17
biotype    149    CD2     "Tryptophan"                4
biotype    150    NE1     "Tryptophan"               11
biotype    151    HE1     "Tryptophan"               21
biotype    152    CE2     "Tryptophan"                4
biotype    153    CE3     "Tryptophan"                4
biotype    154    HE3     "Tryptophan"               17
biotype    155    CZ2     "Tryptophan"                4
biotype    156    HZ2     "Tryptophan"               17
biotype    157    CZ3     "Tryptophan"                4
biotype    158    HZ3     "Tryptophan"               17
biotype    159    CH2     "Tryptophan"                4
biotype    160    HH2     "Tryptophan"               17
biotype    161    N       "Histidine (+)"             8
biotype    162    CA      "Histidine (+)"             1
biotype    163    C       "Histidine (+)"             2
biotype    164    HN      "Histidine (+)"            18
biotype    165    O       "Histidine (+)"            13
biotype    166    HA      "Histidine (+)"            17
biotype    167    CB      "Histidine (+)"             1
biotype    168    HB      "Histidine (+)"            17
biotype    169    CG      "Histidine (+)"             6
biotype    170    ND1     "Histidine (+)"            12
biotype    171    HD1     "Histidine (+)"            22
biotype    172    CD2     "Histidine (+)"             6
biotype    173    HD2     "Histidine (+)"            17
biotype    174    CE1     "Histidine (+)"             7
biotype    175    HE1     "Histidine (+)"            17
biotype    176    NE2     "Histidine (+)"            12
biotype    177    HE2     "Histidine (+)"            22
biotype    178    N       "Histidine (HD)"            8
biotype    179    CA      "Histidine (HD)"            1
biotype    180    C       "Histidine (HD)"            2
biotype    181    HN      "Histidine (HD)"           18
biotype    182    O       "Histidine (HD)"           13
biotype    183    HA      "Histidine (HD)"           17
biotype    184    CB      "Histidine (HD)"            1
biotype    185    HB      "Histidine (HD)"           17
biotype    186    CG      "Histidine (HD)"          999
biotype    187    ND1     "Histidine (HD)"          999
biotype    188    HD1     "Histidine (HD)"          999
biotype    189    CD2     "Histidine (HD)"          999
biotype    190    HD2     "Histidine (HD)"          999
biotype    191    CE1     "Histidine (HD)"          999
biotype    192    HE1     "Histidine (HD)"          999
biotype    193    NE2     "Histidine (HD)"          999
biotype    194    N       "Histidine (HE)"            8
biotype    195    CA      "Histidine (HE)"            1
biotype    196    C       "Histidine (HE)"            2
biotype    197    HN      "Histidine (HE)"           18
biotype    198    O       "Histidine (HE)"           13
biotype    199    HA      "Histidine (HE)"           17
biotype    200    CB      "Histidine (HE)"            1
biotype    201    HB      "Histidine (HE)"           17
biotype    202    CG      "Histidine (HE)"          999
biotype    203    ND1     "Histidine (HE)"          999
biotype    204    CD2     "Histidine (HE)"          999
biotype    205    HD2     "Histidine (HE)"          999
biotype    206    CE1     "Histidine (HE)"          999
biotype    207    HE1     "Histidine (HE)"          999
biotype    208    NE2     "Histidine (HE)"          999
biotype    209    HE2     "Histidine (HE)"          999
biotype    210    N       "Aspartic Acid"             8
biotype    211    CA      "Aspartic Acid"             1
biotype    212    C       "Aspartic Acid"             2
biotype    213    HN      "Aspartic Acid"            18
biotype    214    O       "Aspartic Acid"            13
biotype    215    HA      "Aspartic Acid"            17
biotype    216    CB      "Aspartic Acid"             1
biotype    217    HB      "Aspartic Acid"            17
biotype    218    CG      "Aspartic Acid"             3
biotype    219    OD      "Aspartic Acid"            14
biotype    220    N       "Asparagine"                8
biotype    221    CA      "Asparagine"                1
biotype    222    C       "Asparagine"                2
biotype    223    HN      "Asparagine"               18
biotype    224    O       "Asparagine"               13
biotype    225    HA      "Asparagine"               17
biotype    226    CB      "Asparagine"                1
biotype    227    HB      "Asparagine"               17
biotype    228    CG      "Asparagine"                2
biotype    229    OD1     "Asparagine"               13
biotype    230    ND2     "Asparagine"                8
biotype    231    HD2     "Asparagine"               18
biotype    232    N       "Glutamic Acid"             8
biotype    233    CA      "Glutamic Acid"             1
biotype    234    C       "Glutamic Acid"             2
biotype    235    HN      "Glutamic Acid"            18
biotype    236    O       "Glutamic Acid"            13
biotype    237    HA      "Glutamic Acid"            17
biotype    238    CB      "Glutamic Acid"             1
biotype    239    HB      "Glutamic Acid"            17
biotype    240    CG      "Glutamic Acid"             1
biotype    241    HG      "Glutamic Acid"            17
biotype    242    CD      "Glutamic Acid"             3
biotype    243    OE      "Glutamic Acid"            14
biotype    244    N       "Glutamine"                 8
biotype    245    CA      "Glutamine"                 1
biotype    246    C       "Glutamine"                 2
biotype    247    HN      "Glutamine"                18
biotype    248    O       "Glutamine"                13
biotype    249    HA      "Glutamine"                17
biotype    250    CB      "Glutamine"                 1
biotype    251    HB      "Glutamine"                17
biotype    252    CG      "Glutamine"                 1
biotype    253    HG      "Glutamine"                17
biotype    254    CD      "Glutamine"                 2
biotype    255    OE1     "Glutamine"                13
biotype    256    NE2     "Glutamine"                 8
biotype    257    HE2     "Glutamine"                18
biotype    258    N       "Methionine"                8
biotype    259    CA      "Methionine"                1
biotype    260    C       "Methionine"                2
biotype    261    HN      "Methionine"               18
biotype    262    O       "Methionine"               13
biotype    263    HA      "Methionine"               17
biotype    264    CB      "Methionine"                1
biotype    265    HB      "Methionine"               17
biotype    266    CG      "Methionine"                1
biotype    267    HG      "Methionine"               17
biotype    268    SD      "Methionine"               16
biotype    269    CE      "Methionine"                1
biotype    270    HE      "Methionine"               17
biotype    271    N       "Lysine"                    8
biotype    272    CA      "Lysine"                    1
biotype    273    C       "Lysine"                    2
biotype    274    HN      "Lysine"                   18
biotype    275    O       "Lysine"                   13
biotype    276    HA      "Lysine"                   17
biotype    277    CB      "Lysine"                    1
biotype    278    HB      "Lysine"                   17
biotype    279    CG      "Lysine"                    1
biotype    280    HG      "Lysine"                   17
biotype    281    CD      "Lysine"                    1
biotype    282    HD      "Lysine"                   17
biotype    283    CE      "Lysine"                    1
biotype    284    HE      "Lysine"                   17
biotype    285    NZ      "Lysine"                    9
biotype    286    HZ      "Lysine"                   19
biotype    287    N       "Arginine"                  8
biotype    288    CA      "Arginine"                  1
biotype    289    C       "Arginine"                  2
biotype    290    HN      "Arginine"                 18
biotype    291    O       "Arginine"                 13
biotype    292    HA      "Arginine"                 17
biotype    293    CB      "Arginine"                  1
biotype    294    HB      "Arginine"                 17
biotype    295    CG      "Arginine"                  1
biotype    296    HG      "Arginine"                 17
biotype    297    CD      "Arginine"                  1
biotype    298    HD      "Arginine"                 17
biotype    299    NE      "Arginine"                 10
biotype    300    HE      "Arginine"                 20
biotype    301    CZ      "Arginine"                  5
biotype    302    NH      "Arginine"                 10
biotype    303    HH      "Arginine"                 20
biotype    304    N       "Ornithine"                 8
biotype    305    CA      "Ornithine"                 1
biotype    306    C       "Ornithine"                 2
biotype    307    HN      "Ornithine"                18
biotype    308    O       "Ornithine"                13
biotype    309    HA      "Ornithine"                17
biotype    310    CB      "Ornithine"                 1
biotype    311    HB      "Ornithine"                17
biotype    312    CG      "Ornithine"                 1
biotype    313    HG      "Ornithine"                17
biotype    314    CD      "Ornithine"                 1
biotype    315    HD      "Ornithine"                17
biotype    316    NE      "Ornithine"                 9
biotype    317    HE      "Ornithine"                19
biotype    318    N       "MethylAlanine (AIB)"       8
biotype    319    CA      "MethylAlanine (AIB)"       1
biotype    320    C       "MethylAlanine (AIB)"       2
biotype    321    HN      "MethylAlanine (AIB)"      18
biotype    322    O       "MethylAlanine (AIB)"      13
biotype    323    CB      "MethylAlanine (AIB)"       1
biotype    324    HB      "MethylAlanine (AIB)"      17
biotype    325    N       "Pyroglutamic Acid"       999
biotype    326    CA      "Pyroglutamic Acid"       999
biotype    327    C       "Pyroglutamic Acid"       999
biotype    328    HN      "Pyroglutamic Acid"       999
biotype    329    O       "Pyroglutamic Acid"       999
biotype    330    HA      "Pyroglutamic Acid"       999
biotype    331    CB      "Pyroglutamic Acid"       999
biotype    332    HB      "Pyroglutamic Acid"       999
biotype    333    CG      "Pyroglutamic Acid"       999
biotype    334    HG      "Pyroglutamic Acid"       999
biotype    335    CD      "Pyroglutamic Acid"       999
biotype    336    OE      "Pyroglutamic Acid"       999
biotype    337    C       "Formyl N-Terminus"         2
biotype    338    H       "Formyl N-Terminus"        17
biotype    339    O       "Formyl N-Terminus"        13
biotype    340    CH3     "Acetyl N-Terminus"         1
biotype    341    H       "Acetyl N-Terminus"        17
biotype    342    C       "Acetyl N-Terminus"         2
biotype    343    O       "Acetyl N-Terminus"        13
biotype    344    N       "Amide C-Terminus"          8
biotype    345    HN      "Amide C-Terminus"         18
biotype    346    N       "N-MeAmide C-Terminus"      8
biotype    347    HN      "N-MeAmide C-Terminus"     18
biotype    348    CH3     "N-MeAmide C-Terminus"      1
biotype    349    H       "N-MeAmide C-Terminus"     17
biotype    350    N       "N-Terminal GLY"            9
biotype    351    CA      "N-Terminal GLY"            1
biotype    352    C       "N-Terminal GLY"            2
biotype    353    HN      "N-Terminal GLY"           19
biotype    354    O       "N-Terminal GLY"           13
biotype    355    HA      "N-Terminal GLY"           17
biotype    356    N       "N-Terminal ALA"            9
biotype    357    CA      "N-Terminal ALA"            1
biotype    358    C       "N-Terminal ALA"            2
biotype    359    HN      "N-Terminal ALA"           19
biotype    360    O       "N-Terminal ALA"           13
biotype    361    HA      "N-Terminal ALA"           17
biotype    362    N       "N-Terminal VAL"            9
biotype    363    CA      "N-Terminal VAL"            1
biotype    364    C       "N-Terminal VAL"            2
biotype    365    HN      "N-Terminal VAL"           19
biotype    366    O       "N-Terminal VAL"           13
biotype    367    HA      "N-Terminal VAL"           17
biotype    368    N       "N-Terminal LEU"            9
biotype    369    CA      "N-Terminal LEU"            1
biotype    370    C       "N-Terminal LEU"            2
biotype    371    HN      "N-Terminal LEU"           19
biotype    372    O       "N-Terminal LEU"           13
biotype    373    HA      "N-Terminal LEU"           17
biotype    374    N       "N-Terminal ILE"            9
biotype    375    CA      "N-Terminal ILE"            1
biotype    376    C       "N-Terminal ILE"            2
biotype    377    HN      "N-Terminal ILE"           19
biotype    378    O       "N-Terminal ILE"           13
biotype    379    HA      "N-Terminal ILE"           17
biotype    380    N       "N-Terminal SER"            9
biotype    381    CA      "N-Terminal SER"            1
biotype    382    C       "N-Terminal SER"            2
biotype    383    HN      "N-Terminal SER"           19
biotype    384    O       "N-Terminal SER"           13
biotype    385    HA      "N-Terminal SER"           17
biotype    386    N       "N-Terminal THR"            9
biotype    387    CA      "N-Terminal THR"            1
biotype    388    C       "N-Terminal THR"            2
biotype    389    HN      "N-Terminal THR"           19
biotype    390    O       "N-Terminal THR"           13
biotype    391    HA      "N-Terminal THR"           17
biotype    392    N       "N-Terminal CYS (-SH)"      9
biotype    393    CA      "N-Terminal CYS (-SH)"      1
biotype    394    C       "N-Terminal CYS (-SH)"      2
biotype    395    HN      "N-Terminal CYS (-SH)"     19
biotype    396    O       "N-Terminal CYS (-SH)"     13
biotype    397    HA      "N-Terminal CYS (-SH)"     17
biotype    398    N       "N-Terminal CYS (-SS)"      9
biotype    399    CA      "N-Terminal CYS (-SS)"      1
biotype    400    C       "N-Terminal CYS (-SS)"      2
biotype    401    HN      "N-Terminal CYS (-SS)"     19
biotype    402    O       "N-Terminal CYS (-SS)"     13
biotype    403    HA      "N-Terminal CYS (-SS)"     17
biotype    404    N       "N-Terminal PRO"            9
biotype    405    CA      "N-Terminal PRO"            1
biotype    406    C       "N-Terminal PRO"            2
biotype    407    HN      "N-Terminal PRO"           19
biotype    408    O       "N-Terminal PRO"           13
biotype    409    HA      "N-Terminal PRO"           17
biotype    410    CD      "N-Terminal PRO"            1
biotype    411    HD      "N-Terminal PRO"           17
biotype    412    N       "N-Terminal PHE"            9
biotype    413    CA      "N-Terminal PHE"            1
biotype    414    C       "N-Terminal PHE"            2
biotype    415    HN      "N-Terminal PHE"           19
biotype    416    O       "N-Terminal PHE"           13
biotype    417    HA      "N-Terminal PHE"           17
biotype    418    N       "N-Terminal TYR"            9
biotype    419    CA      "N-Terminal TYR"            1
biotype    420    C       "N-Terminal TYR"            2
biotype    421    HN      "N-Terminal TYR"           19
biotype    422    O       "N-Terminal TYR"           13
biotype    423    HA      "N-Terminal TYR"           17
biotype    424    N       "N-Terminal TRP"            9
biotype    425    CA      "N-Terminal TRP"            1
biotype    426    C       "N-Terminal TRP"            2
biotype    427    HN      "N-Terminal TRP"           19
biotype    428    O       "N-Terminal TRP"           13
biotype    429    HA      "N-Terminal TRP"           17
biotype    430    N       "N-Terminal HIS (+)"        9
biotype    431    CA      "N-Terminal HIS (+)"        1
biotype    432    C       "N-Terminal HIS (+)"        2
biotype    433    HN      "N-Terminal HIS (+)"       19
biotype    434    O       "N-Terminal HIS (+)"       13
biotype    435    HA      "N-Terminal HIS (+)"       17
biotype    436    N       "N-Terminal HIS (HD)"       9
biotype    437    CA      "N-Terminal HIS (HD)"       1
biotype    438    C       "N-Terminal HIS (HD)"       2
biotype    439    HN      "N-Terminal HIS (HD)"      19
biotype    440    O       "N-Terminal HIS (HD)"      13
biotype    441    HA      "N-Terminal HIS (HD)"      17
biotype    442    N       "N-Terminal HIS (HE)"       9
biotype    443    CA      "N-Terminal HIS (HE)"       1
biotype    444    C       "N-Terminal HIS (HE)"       2
biotype    445    HN      "N-Terminal HIS (HE)"      19
biotype    446    O       "N-Terminal HIS (HE)"      13
biotype    447    HA      "N-Terminal HIS (HE)"      17
biotype    448    N       "N-Terminal ASP"            9
biotype    449    CA      "N-Terminal ASP"            1
biotype    450    C       "N-Terminal ASP"            2
biotype    451    HN      "N-Terminal ASP"           19
biotype    452    O       "N-Terminal ASP"           13
biotype    453    HA      "N-Terminal ASP"           17
biotype    454    N       "N-Terminal ASN"            9
biotype    455    CA      "N-Terminal ASN"            1
biotype    456    C       "N-Terminal ASN"            2
biotype    457    HN      "N-Terminal ASN"           19
biotype    458    O       "N-Terminal ASN"           13
biotype    459    HA      "N-Terminal ASN"           17
biotype    460    N       "N-Terminal GLU"            9
biotype    461    CA      "N-Terminal GLU"            1
biotype    462    C       "N-Terminal GLU"            2
biotype    463    HN      "N-Terminal GLU"           19
biotype    464    O       "N-Terminal GLU"           13
biotype    465    HA      "N-Terminal GLU"           17
biotype    466    N       "N-Terminal GLN"            9
biotype    467    CA      "N-Terminal GLN"            1
biotype    468    C       "N-Terminal GLN"            2
biotype    469    HN      "N-Terminal GLN"           19
biotype    470    O       "N-Terminal GLN"           13
biotype    471    HA      "N-Terminal GLN"           17
biotype    472    N       "N-Terminal MET"            9
biotype    473    CA      "N-Terminal MET"            1
biotype    474    C       "N-Terminal MET"            2
biotype    475    HN      "N-Terminal MET"           19
biotype    476    O       "N-Terminal MET"           13
biotype    477    HA      "N-Terminal MET"           17
biotype    478    N       "N-Terminal LYS"            9
biotype    479    CA      "N-Terminal LYS"            1
biotype    480    C       "N-Terminal LYS"            2
biotype    481    HN      "N-Terminal LYS"           19
biotype    482    O       "N-Terminal LYS"           13
biotype    483    HA      "N-Terminal LYS"           17
biotype    484    N       "N-Terminal ARG"            9
biotype    485    CA      "N-Terminal ARG"            1
biotype    486    C       "N-Terminal ARG"            2
biotype    487    HN      "N-Terminal ARG"           19
biotype    488    O       "N-Terminal ARG"           13
biotype    489    HA      "N-Terminal ARG"           17
biotype    490    N       "N-Terminal ORN"            9
biotype    491    CA      "N-Terminal ORN"            1
biotype    492    C       "N-Terminal ORN"            2
biotype    493    HN      "N-Terminal ORN"           19
biotype    494    O       "N-Terminal ORN"           13
biotype    495    HA      "N-Terminal ORN"           17
biotype    496    N       "N-Terminal AIB"            9
biotype    497    CA      "N-Terminal AIB"            1
biotype    498    C       "N-Terminal AIB"            2
biotype    499    HN      "N-Terminal AIB"           19
biotype    500    O       "N-Terminal AIB"           13
biotype    501    N       "C-Terminal GLY"            8
biotype    502    CA      "C-Terminal GLY"            1
biotype    503    C       "C-Terminal GLY"            3
biotype    504    HN      "C-Terminal GLY"           18
biotype    505    OXT     "C-Terminal GLY"           14
biotype    506    HA      "C-Terminal GLY"           17
biotype    507    N       "C-Terminal ALA"            8
biotype    508    CA      "C-Terminal ALA"            1
biotype    509    C       "C-Terminal ALA"            3
biotype    510    HN      "C-Terminal ALA"           18
biotype    511    OXT     "C-Terminal ALA"           14
biotype    512    HA      "C-Terminal ALA"           17
biotype    513    N       "C-Terminal VAL"            8
biotype    514    CA      "C-Terminal VAL"            1
biotype    515    C       "C-Terminal VAL"            3
biotype    516    HN      "C-Terminal VAL"           18
biotype    517    OXT     "C-Terminal VAL"           14
biotype    518    HA      "C-Terminal VAL"           17
biotype    519    N       "C-Terminal LEU"            8
biotype    520    CA      "C-Terminal LEU"            1
biotype    521    C       "C-Terminal LEU"            3
biotype    522    HN      "C-Terminal LEU"           18
biotype    523    OXT     "C-Terminal LEU"           14
biotype    524    HA      "C-Terminal LEU"           17
biotype    525    N       "C-Terminal ILE"            8
biotype    526    CA      "C-Terminal ILE"            1
biotype    527    C       "C-Terminal ILE"            3
biotype    528    HN      "C-Terminal ILE"           18
biotype    529    OXT     "C-Terminal ILE"           14
biotype    530    HA      "C-Terminal ILE"           17
biotype    531    N       "C-Terminal SER"            8
biotype    532    CA      "C-Terminal SER"            1
biotype    533    C       "C-Terminal SER"            3
biotype    534    HN      "C-Terminal SER"           18
biotype    535    OXT     "C-Terminal SER"           14
biotype    536    HA      "C-Terminal SER"           17
biotype    537    N       "C-Terminal THR"            8
biotype    538    CA      "C-Terminal THR"            1
biotype    539    C       "C-Terminal THR"            3
biotype    540    HN      "C-Terminal THR"           18
biotype    541    OXT     "C-Terminal THR"           14
biotype    542    HA      "C-Terminal THR"           17
biotype    543    N       "C-Terminal CYS (-SH)"      8
biotype    544    CA      "C-Terminal CYS (-SH)"      1
biotype    545    C       "C-Terminal CYS (-SH)"      3
biotype    546    HN      "C-Terminal CYS (-SH)"     18
biotype    547    OXT     "C-Terminal CYS (-SH)"     14
biotype    548    HA      "C-Terminal CYS (-SH)"     17
biotype    549    N       "C-Terminal CYS (-SS)"      8
biotype    550    CA      "C-Terminal CYS (-SS)"      1
biotype    551    C       "C-Terminal CYS (-SS)"      3
biotype    552    HN      "C-Terminal CYS (-SS)"     18
biotype    553    OXT     "C-Terminal CYS (-SS)"     14
biotype    554    HA      "C-Terminal CYS (-SS)"     17
biotype    555    N       "C-Terminal PRO"            8
biotype    556    CA      "C-Terminal PRO"            1
biotype    557    C       "C-Terminal PRO"            3
biotype    558    OXT     "C-Terminal PRO"           14
biotype    559    HA      "C-Terminal PRO"           17
biotype    560    N       "C-Terminal PHE"            8
biotype    561    CA      "C-Terminal PHE"            1
biotype    562    C       "C-Terminal PHE"            3
biotype    563    HN      "C-Terminal PHE"           18
biotype    564    OXT     "C-Terminal PHE"           14
biotype    565    HA      "C-Terminal PHE"           17
biotype    566    N       "C-Terminal TYR"            8
biotype    567    CA      "C-Terminal TYR"            1
biotype    568    C       "C-Terminal TYR"            3
biotype    569    HN      "C-Terminal TYR"           18
biotype    570    OXT     "C-Terminal TYR"           14
biotype    571    HA      "C-Terminal TYR"           17
biotype    572    N       "C-Terminal TRP"            8
biotype    573    CA      "C-Terminal TRP"            1
biotype    574    C       "C-Terminal TRP"            3
biotype    575    HN      "C-Terminal TRP"           18
biotype    576    OXT     "C-Terminal TRP"           14
biotype    577    HA      "C-Terminal TRP"           17
biotype    578    N       "C-Terminal HIS (+)"        8
biotype    579    CA      "C-Terminal HIS (+)"        1
biotype    580    C       "C-Terminal HIS (+)"        3
biotype    581    HN      "C-Terminal HIS (+)"       18
biotype    582    OXT     "C-Terminal HIS (+)"       14
biotype    583    HA      "C-Terminal HIS (+)"       17
biotype    584    N       "C-Terminal HIS (HD)"       8
biotype    585    CA      "C-Terminal HIS (HD)"       1
biotype    586    C       "C-Terminal HIS (HD)"       3
biotype    587    HN      "C-Terminal HIS (HD)"      18
biotype    588    OXT     "C-Terminal HIS (HD)"      14
biotype    589    HA      "C-Terminal HIS (HD)"      17
biotype    590    N       "C-Terminal HIS (HE)"       8
biotype    591    CA      "C-Terminal HIS (HE)"       1
biotype    592    C       "C-Terminal HIS (HE)"       3
biotype    593    HN      "C-Terminal HIS (HE)"      18
biotype    594    OXT     "C-Terminal HIS (HE)"      14
biotype    595    HA      "C-Terminal HIS (HE)"      17
biotype    596    N       "C-Terminal ASP"            8
biotype    597    CA      "C-Terminal ASP"            1
biotype    598    C       "C-Terminal ASP"            3
biotype    599    HN      "C-Terminal ASP"           18
biotype    600    OXT     "C-Terminal ASP"           14
biotype    601    HA      "C-Terminal ASP"           17
biotype    602    N       "C-Terminal ASN"            8
biotype    603    CA      "C-Terminal ASN"            1
biotype    604    C       "C-Terminal ASN"            3
biotype    605    HN      "C-Terminal ASN"           18
biotype    606    OXT     "C-Terminal ASN"           14
biotype    607    HA      "C-Terminal ASN"           17
biotype    608    N       "C-Terminal GLU"            8
biotype    609    CA      "C-Terminal GLU"            1
biotype    610    C       "C-Terminal GLU"            3
biotype    611    HN      "C-Terminal GLU"           18
biotype    612    OXT     "C-Terminal GLU"           14
biotype    613    HA      "C-Terminal GLU"           17
biotype    614    N       "C-Terminal GLN"            8
biotype    615    CA      "C-Terminal GLN"            1
biotype    616    C       "C-Terminal GLN"            3
biotype    617    HN      "C-Terminal GLN"           18
biotype    618    OXT     "C-Terminal GLN"           14
biotype    619    HA      "C-Terminal GLN"           17
biotype    620    N       "C-Terminal MET"            8
biotype    621    CA      "C-Terminal MET"            1
biotype    622    C       "C-Terminal MET"            3
biotype    623    HN      "C-Terminal MET"           18
biotype    624    OXT     "C-Terminal MET"           14
biotype    625    HA      "C-Terminal MET"           17
biotype    626    N       "C-Terminal LYS"            8
biotype    627    CA      "C-Terminal LYS"            1
biotype    628    C       "C-Terminal LYS"            3
biotype    629    HN      "C-Terminal LYS"           18
biotype    630    OXT     "C-Terminal LYS"           14
biotype    631    HA      "C-Terminal LYS"           17
biotype    632    N       "C-Terminal ARG"            8
biotype    633    CA      "C-Terminal ARG"            1
biotype    634    C       "C-Terminal ARG"            3
biotype    635    HN      "C-Terminal ARG"           18
biotype    636    OXT     "C-Terminal ARG"           14
biotype    637    HA      "C-Terminal ARG"           17
biotype    638    N       "C-Terminal ORN"            8
biotype    639    CA      "C-Terminal ORN"            1
biotype    640    C       "C-Terminal ORN"            3
biotype    641    HN      "C-Terminal ORN"           18
biotype    642    OXT     "C-Terminal ORN"           14
biotype    643    HA      "C-Terminal ORN"           17
biotype    644    N       "C-Terminal AIB"            8
biotype    645    CA      "C-Terminal AIB"            1
biotype    646    C       "C-Terminal AIB"            3
biotype    647    HN      "C-Terminal AIB"           18
biotype    648    OXT     "C-Terminal AIB"           14
