*HEADER    DE NOVO PROTEIN                         04-FEB-07   2ORU              
*TITLE     SOLUTION STRUCTURE OF XTZ1-PEPTIDE, A BETA-HAIRPIN PEPTIDE            
*TITLE    2 WITH A STRUCTURED EXTENSION                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: XTZ1-PEPTIDE;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    HAIRPIN                                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.E.CAMPBELL                                                          
*REVDAT   1   22-MAY-07 2ORU    0                                                


# Dihedral restraints in CYANA format

# 1 LYS
# 2 ALA
3 TRP PHI -145  -40
4 THR PHI -95   -40
# 5 TRP
6 THR PHI -140  -40
7 TRP PHI -70   -40
# 8 ASN
# 9 PRO
10 ALA PHI -75  -40
11 THR PHI -120 -40
# 12 GLY
13 LYS PHI -130 -40
14 TRP PHI -95  -40
15 THR PHI -165 -40
16 TRP PHI -85  -40
17 ARG PHI -145 -40
# 18 LYS
19 ASN PHI -155 -40
20 GLU PHI -155 -40

# NOE restraints in NMRView in .xpk format

label dataset sw sf
F2 F1
NOESY.nv
{8000.0 } {8000.0 }
{599.9332 } {599.9332 }
F2.L  F2.P  F2.W  F2.B  F1.L  F1.P  F1.W  F1.B  vol  int stat flag0
     0 {18.HG3}   0.740  0.002  0.063 {18.HG2}   0.650  0.046  0.067       5.447      0.018  0  0
     1 {17.HB3}   1.738  0.002  0.048 {17.QG}   1.620  0.047  0.072       4.132      0.013  0  0
     2 {9.HD2}   3.770  0.020  0.078 {9.HD3}   3.598  0.035  0.108       3.534      0.034  0  0
     3 {8.HB3}   3.110  0.020  0.072 {8.HB2}   2.390  0.042  0.067       3.279      0.037  0  0
     4 {12.HA3}   3.830  0.003  0.073 {12.HA2}   3.258  0.014  0.112       3.114     -0.001  0  0
     5 {7.HB3}   2.480  0.013  0.099 {7.HB2}   1.300  0.023  0.104       2.990      0.037  0  0
     6 {3.HZ3}   7.620  0.011  0.043 {3.HE3}   7.041  0.022  0.075       2.593      0.083  0  0
     7 {5.HB2}   3.270  0.003  0.090 {5.HB3}   2.591  0.001  0.107       2.584      0.023  0  0
     8 {16.HB3}   3.110  0.007  0.088 {16.HB2}   2.700  0.020  0.115       2.573      0.017  0  0
     9 {9.HB3}   2.390  0.011  0.090 {9.HB2}   1.959  0.033  0.081       2.484      0.021  0  0
    10 {19.HB2}   2.840  0.008  0.065 {19.HB3}   2.650  0.016  0.085       2.465      0.008  0  0
    11 {14.HB2}   2.790  0.022  0.062 {14.HB3}   2.228  0.054  0.101       2.454      0.017  0  0
    12 {13.HB2}   1.801  0.007  0.067 {13.HG3}   1.470  0.014  0.086       2.416      0.032  0  0
    13 {18.HB3}   1.260  0.006  0.080 {18.HB2}   0.854  0.019  0.088       2.206      0.022  0  0
    14 {20.HB2}   2.070  0.010  0.070 {20.HB3}   1.880  0.021  0.088       2.152      0.024  0  0
    15 {11.HB}   4.193  0.025  0.051 {13.HG2}   1.329  0.044  0.100       1.550      0.004  0  0
    16 {10.HA}   4.166  0.008  0.078 {10.QB}   1.430  0.025  0.072       1.510      0.020  0  0
    17 {17.HB2}   1.920  0.002  0.071 {17.HB3}   1.741  0.025  0.079       1.438      0.023  0  0
    18 {20.QG}   2.190  0.013  0.045 {20.HB2}   2.070  0.039  0.093       1.308      0.004  0  0
    19 {4.HB}   4.130  0.024  0.065 {4.QG2}   1.302  0.032  0.073       1.102      0.015  0  0
    20 {9.HD3}   3.600  0.018  0.067 {9.QG}   2.043  0.030  0.064       1.061      0.008  0  0
    21 {9.HD2}   3.770  0.024  0.067 {9.QG}   2.043  0.046  0.097       1.060      0.007  0  0
    22 {17.HB2}   1.920  0.001  0.072 {17.QG}   1.620  0.036  0.081       1.024      0.008  0  0
    23 {9.HD3}   3.600  0.005  0.045 {9.HB3}   2.390  0.036  0.087       0.999      0.002  0  0
    24 {11.HB}   4.193  0.029  0.073 {11.QG2}   1.045  0.023  0.074       0.983      0.023  0  0
    25 {9.HB3}   2.390  0.034  0.066 {9.QG}   2.043  0.037  0.066       0.954      0.003  0  0
    26 {9.HA}   3.571  0.014  0.056 {9.HB3}   2.390  0.022  0.131       0.953      0.027  0  0
    27 {16.H}   8.730  0.024  0.057 {16.HB2}   2.700  0.045  0.110       0.944      0.006  0  0
    28 {15.HB}   4.130  0.027  0.066 {15.QG2}   1.152  0.021  0.070       0.930      0.013  0  0
    29 {17.QD}   3.186  0.024  0.077 {17.QG}   1.620  0.046  0.106       0.923      0.012  0  0
    30 {13.HB2}   1.801  0.009  0.045 {13.QD}   1.639  0.033  0.068       0.921      0.001  0  0
    31 {3.HE3}   7.041  0.003  0.065 {3.QB}   2.830  0.046  0.087       0.897      0.006  0  0
    32 {12.H}   8.019  0.011  0.062 {11.H}   6.838  0.036  0.096       0.893      0.022  0  0
    33 {14.H}   8.700  0.011  0.056 {14.HB2}   2.792  0.048  0.096       0.883      0.006  0  0
    34 {18.HB2}   0.850  0.031  0.054 {18.HG3}   0.741  0.037  0.064       0.858      0.007  0  0
    35 {19.H}   8.439  0.011  0.046 {18.HA}   3.720  0.027  0.091       0.858      0.015  0  0
    36 {8.H}   7.315  0.015  0.056 {7.HA}   3.792  0.042  0.104       0.850      0.011  0  0
    37 {10.H}   7.752  0.022  0.039 {10.QB}   1.430  0.022  0.052       0.846      0.024  0  0
    38 {6.HB}   3.980  0.030  0.081 {6.QG2}   1.228  0.029  0.073       0.779      0.010  0  0
    39 {7.H}   8.780  0.024  0.072 {7.HB3}   2.477  0.044  0.112       0.777      0.009  0  0
    40 {12.H}   8.019  0.002  0.042 {12.HA2}   3.258  0.047  0.082       0.767      0.011  0  0
    41 {7.HA}   3.790  0.029  0.064 {7.HB2}   1.300  0.044  0.077       0.758      0.005  0  0
    42 {8.H}   7.315  0.016  0.058 {8.HB3}   3.110  0.041  0.112       0.748      0.005  0  0
    43 {7.H}   8.780  0.024  0.056 {7.HB2}   1.300  0.040  0.087       0.736      0.008  0  0
    44 {7.H}   8.780  0.024  0.060 {6.QG2}   1.228  0.029  0.076       0.732      0.006  0  0
    45 {16.HE1}   9.797  0.002  0.060 {16.HD1}   7.170  0.022  0.085       0.724     -0.000  0  0
    46 {13.HB2}   1.801  0.043  0.077 {13.HG2}   1.329  0.034  0.080       0.721      0.010  0  0
    47 {7.HH2}   7.020  0.017  0.059 {7.HZ3}   6.670  0.044  0.103       0.715      0.011  0  0
    48 {8.H}   7.315  0.017  0.051 {8.HB2}   2.390  0.036  0.090       0.711      0.004  0  0
    49 {11.HA}   4.336  0.002  0.055 {11.QG2}   1.045  0.025  0.065       0.685      0.017  0  0
    50 {9.HA}   3.571  0.002  0.041 {9.HB2}   1.959  0.040  0.061       0.673     -0.008  0  0
    51 {5.HH2}   7.110  0.030  0.059 {5.HZ3}   6.790  0.026  0.082       0.640      0.010  0  0
    52 {8.HD21}   7.265  0.016  0.045 {8.HB2}   2.390  0.043  0.076       0.606      0.008  0  0
    53 {5.HE1}   9.451  0.019  0.074 {5.HD1}   6.937  0.037  0.066       0.582      0.010  0  0
    54 {11.HA}   4.336  0.010  0.048 {11.HB}   4.193  0.018  0.079       0.582      0.009  0  0
    55 {7.HE1}   9.976  0.014  0.043 {7.HD1}   6.500  0.019  0.072       0.581      0.007  0  0
    56 {18.H}   8.474  0.023  0.047 {18.HB3}   1.257  0.042  0.095       0.560      0.006  0  0
    57 {18.H}   8.474  0.022  0.036 {18.HA}   3.720  0.026  0.093       0.551      0.004  0  0
    58 {16.HE3}   6.980  0.002  0.049 {3.QB}   2.830  0.043  0.069       0.545      0.005  0  0
    59 {14.HE1}  10.140  0.009  0.049 {14.HD1}   7.458  0.020  0.066       0.539      0.017  0  0
    60 {3.HE1}  10.220  0.005  0.040 {3.HD1}   7.197  0.021  0.074       0.532      0.019  0  0
    61 {16.HD1}   7.176  0.016  0.034 {16.HB2}   2.700  0.046  0.104       0.520      0.005  0  0
    62 {3.HD1}   7.197  0.008  0.037 {3.QB}   2.830  0.029  0.077       0.519      0.010  0  0
    63 {5.H}   9.169  0.005  0.084 {5.HB3}   2.591  0.047  0.113       0.519      0.006  0  0
    64 {2.HA}   4.470  0.024  0.065 {2.QB}   1.476  0.022  0.075       0.510      0.010  0  0
    65 {18.H}   8.474  0.023  0.035 {18.HB2}   0.854  0.038  0.092       0.504      0.006  0  0
    66 {3.HE3}   7.041  0.005  0.065 {16.HB3}   3.107  0.050  0.082       0.503      0.002  0  0
    67 {16.H}   8.730  0.022  0.042 {15.HA}   4.657  0.033  0.081       0.501      0.003  0  0
    68 {18.HB3}   1.260  0.016  0.051 {18.HG3}   0.741  0.051  0.072       0.492      0.003  0  0
    69 {12.H}   8.019  0.002  0.062 {13.H}   6.710  0.022  0.099       0.492      0.008  0  0
    70 {3.H}   8.330  0.024  0.047 {3.QB}   2.830  0.030  0.107       0.488      0.007  0  0
    71 {14.H}   8.700  0.011  0.038 {13.HA}   4.668  0.035  0.079       0.478      0.006  0  0
    72 {?}   7.260  0.002  0.046 {?}   7.040  0.034  0.067       0.473      0.004  0  0
    73 {7.HZ2}   7.370  0.002  0.047 {7.HH2}   7.020  0.035  0.094       0.470     -0.015  0  0
    74 {14.HZ3}   7.150  0.014  0.045 {14.HE3}   6.890  0.029  0.074       0.470      0.010  0  0
    75 {7.HD1}   6.500  0.003  0.043 {7.HB3}   2.477  0.021  0.118       0.456      0.008  0  0
    76 {9.HD2}   3.770  0.014  0.060 {9.HB2}   1.959  0.013  0.062       0.455      0.003  0  0
    77 {5.HZ2}   7.160  0.002  0.035 {14.HB2}   2.792  0.054  0.071       0.455      0.002  0  0
    78 {7.HD1}   6.500  0.006  0.033 {9.HB3}   2.390  0.019  0.106       0.454      0.002  0  0
    79 {10.H}   7.752  0.002  0.040 {11.H}   6.838  0.033  0.072       0.441      0.013  0  0
    80 {17.HE}   7.167  0.013  0.044 {17.QD}   3.186  0.034  0.067       0.434      0.004  0  0
    81 {5.H}   9.169  0.005  0.076 {5.HB2}   3.273  0.046  0.104       0.434      0.005  0  0
    82 {18.HA}   3.722  0.018  0.090 {18.HB2}   0.854  0.029  0.122       0.432      0.001  0  0
    83 {16.HD1}   7.176  0.016  0.034 {16.HB3}   3.107  0.046  0.077       0.424      0.005  0  0
    84 {18.HA}   3.722  0.015  0.063 {18.HG2}   0.650  0.021  0.105       0.410      0.003  0  0
    85 {7.HA}   3.790  0.027  0.067 {7.HB3}   2.477  0.036  0.084       0.409      0.003  0  0
    86 {13.H}   6.711  0.017  0.052 {13.HG3}   1.470  0.048  0.098       0.386      0.005  0  0
    87 {17.QD}   3.186  0.019  0.070 {17.HB3}   1.741  0.019  0.087       0.380      0.003  0  0
    88 {16.HB3}   3.110  0.010  0.067 {3.QB}   2.830  0.014  0.100       0.379      0.001  0  0
    89 {16.H}   8.730  0.024  0.060 {16.HB3}   3.107  0.046  0.102       0.372      0.004  0  0
    90 {1.HB2}   1.957  0.034  0.045 {1.QG}   1.530  0.059  0.087       0.368      0.003  0  0
    91 {12.H}   8.019  0.011  0.059 {12.HA3}   3.832  0.045  0.106       0.367      0.006  0  0
    92 {3.H}   8.330  0.027  0.071 {2.HA}   4.470  0.033  0.097       0.367      0.006  0  0
    93 {?}   6.894  0.019  0.042 {?}   3.268  0.048  0.090       0.364      0.003  0  0
    94 {1.QD}   1.740  0.035  0.048 {1.QG}   1.530  0.028  0.055       0.353      0.007  0  0
    95 {14.H}   8.700  0.011  0.051 {13.HB2}   1.801  0.045  0.121       0.353      0.005  0  0
    96 {14.HE1}  10.140  0.016  0.043 {14.HZ2}   7.210  0.020  0.068       0.352      0.008  0  0
    97 {13.HA}   4.670  0.022  0.057 {13.HB2}   1.801  0.049  0.114       0.351      0.004  0  0
    98 {13.HB3}   1.740  0.022  0.049 {13.HG2}   1.329  0.032  0.063       0.348      0.003  0  0
    99 {11.H}   6.838  0.013  0.043 {11.QG2}   1.045  0.025  0.058       0.347      0.005  0  0
   100 {7.HE3}   5.650  0.027  0.045 {7.HA}   3.792  0.042  0.127       0.345      0.005  0  0
   101 {16.HE3}   6.980  0.012  0.050 {16.HB3}   3.107  0.052  0.084       0.341      0.002  0  0
   102 {8.HD21}   7.265  0.015  0.035 {8.HB3}   3.110  0.044  0.102       0.339      0.004  0  0
   103 {7.HZ3}   6.670  0.011  0.077 {7.HE3}   5.646  0.038  0.110       0.328      0.005  0  0
   104 {3.HZ2}   7.484  0.012  0.056 {3.HH2}   7.250  0.019  0.078       0.327      0.068  0  0
   105 {11.H}   6.838  0.013  0.049 {10.QB}   1.430  0.022  0.054       0.325      0.006  0  0
   106 {3.H}   8.330  0.020  0.046 {2.QB}   1.476  0.022  0.074       0.321      0.006  0  0
   107 {5.HD1}   6.937  0.005  0.031 {5.HB2}   3.273  0.047  0.088       0.321      0.007  0  0
   108 {13.QE}   3.055  0.013  0.096 {13.HG2}   1.329  0.034  0.095       0.320      0.002  0  0
   109 {4.H}   9.087  0.028  0.044 {3.QB}   2.830  0.029  0.102       0.320      0.003  0  0
   110 {19.H}   8.439  0.001  0.036 {18.HB2}   0.854  0.010  0.079       0.315      0.001  0  0
   111 {18.HA}   3.722  0.018  0.035 {18.HB3}   1.257  0.026  0.069       0.315      0.008  0  0
   112 {10.H}   7.752  0.020  0.036 {10.HA}   4.170  0.030  0.080       0.313      0.008  0  0
   113 {10.H}   7.752  0.019  0.032 {9.QG}   2.043  0.057  0.089       0.306      0.004  0  0
   114 {17.H}   9.120  0.002  0.054 {17.HB3}   1.741  0.043  0.096       0.305      0.000  0  0
   115 {14.HE3}   6.897  0.028  0.036 {14.HB3}   2.228  0.051  0.085       0.304      0.003  0  0
   116 {14.HZ2}   7.209  0.008  0.042 {7.HB2}   1.300  0.040  0.062       0.303      0.004  0  0
   117 {19.H}   8.439  0.011  0.042 {19.HB3}   2.650  0.042  0.088       0.301      0.005  0  0
   118 {16.H}   8.730  0.023  0.063 {15.HB}   4.134  0.033  0.081       0.301      0.004  0  0
   119 {18.HA}   3.722  0.042  0.068 {18.HG3}   0.741  0.020  0.074       0.290      0.003  0  0
   120 {13.H}   6.711  0.017  0.048 {12.HA2}   3.258  0.050  0.080       0.288      0.003  0  0
   121 {16.HE3}   6.980  0.021  0.050 {16.HB2}   2.700  0.041  0.091       0.286      0.001  0  0
   122 {7.HE1}   9.976  0.015  0.045 {7.HZ2}   7.370  0.021  0.068       0.284      0.010  0  0
   123 {19.H}   8.439  0.003  0.032 {18.HB3}   1.257  0.011  0.109       0.276      0.001  0  0
   124 {17.HA}   4.740  0.013  0.051 {17.HB3}   1.741  0.014  0.087       0.275      0.001  0  0
   125 {?}   7.197  0.002  0.024 {?}   2.697  0.042  0.079       0.274      0.001  0  0
   126 {1.HA}   4.064  0.005  0.041 {1.HB2}   1.960  0.025  0.060       0.274      0.003  0  0
   127 {13.HA}   4.670  0.020  0.057 {13.HG2}   1.329  0.041  0.081       0.271      0.003  0  0
   128 {5.HE1}   9.451  0.018  0.054 {5.HZ2}   7.160  0.028  0.059       0.271      0.006  0  0
   129 {14.HD1}   7.458  0.002  0.024 {14.HB2}   2.792  0.024  0.061       0.267      0.006  0  0
   130 {17.H}   9.120  0.002  0.047 {17.HB2}   1.919  0.044  0.091       0.263      0.000  0  0
   131 {7.HH2}   7.020  0.023  0.045 {12.HA2}   3.258  0.051  0.059       0.258      0.003  0  0
   132 {3.HE3}   7.041  0.015  0.043 {16.HB2}   2.700  0.046  0.063       0.254      0.001  0  0
   133 {13.H}   6.711  0.011  0.048 {13.HG2}   1.329  0.038  0.074       0.252      0.003  0  0
   134 {14.HZ3}   7.150  0.013  0.044 {7.HB2}   1.300  0.025  0.068       0.252      0.003  0  0
   135 {6.H}   9.503  0.021  0.060 {6.HB}   3.980  0.031  0.073       0.247      0.003  0  0
   136 {3.HE1}  10.220  0.005  0.042 {3.HZ2}   7.480  0.023  0.076       0.244      0.010  0  0
   137 {?}   7.370  0.017  0.043 {?}   3.830  0.042  0.090       0.242      0.001  0  0
   138 {17.QD}   3.186  0.005  0.051 {17.HB2}   1.919  0.047  0.081       0.241      0.004  0  0
   139 {4.HB}   4.130  0.018  0.043 {6.QG2}   1.228  0.008  0.052       0.238      0.002  0  0
   140 {19.H}   8.439  0.002  0.034 {18.HG3}   0.741  0.013  0.087       0.237      0.002  0  0
   141 {13.H}   6.711  0.017  0.046 {8.HB3}   3.110  0.050  0.078       0.233      0.002  0  0
   142 {18.H}   8.474  0.011  0.034 {18.HG2}   0.650  0.041  0.091       0.232      0.002  0  0
   143 {7.HZ2}   7.370  0.017  0.042 {12.HA2}   3.258  0.047  0.087       0.227      0.003  0  0
   144 {5.H}   9.169  0.002  0.060 {4.QG2}   1.302  0.025  0.064       0.226      0.004  0  0
   145 {17.QD}   3.186  0.017  0.082 {6.QG2}   1.228  0.023  0.072       0.224      0.003  0  0
   146 {17.H}   9.120  0.035  0.041 {4.HB}   4.131  0.036  0.088       0.222      0.002  0  0
   147 {20.HA}   4.120  0.005  0.035 {20.HB2}   2.070  0.034  0.064       0.220      0.011  0  0
   148 {13.QD}   1.639  0.037  0.073 {13.HG2}   1.329  0.023  0.064       0.218      0.004  0  0
   149 {8.HD21}   7.265  0.015  0.033 {11.QG2}   1.045  0.026  0.055       0.217      0.005  0  0
   150 {16.HZ3}   7.055  0.027  0.040 {5.HB3}   2.591  0.048  0.074       0.216      0.002  0  0
   151 {18.H}   8.474  0.023  0.066 {17.HA}   4.744  0.036  0.081       0.215      0.003  0  0
   152 {17.H}   9.120  0.002  0.043 {4.QG2}   1.302  0.018  0.062       0.215      0.004  0  0
   153 {5.HZ3}   6.794  0.004  0.060 {5.HE3}   6.360  0.043  0.073       0.214      0.004  0  0
   154 {16.HH2}   7.150  0.015  0.028 {5.HB2}   3.273  0.037  0.076       0.211      0.001  0  0
   155 {?}   9.503  0.018  0.047 {?}   6.890  0.031  0.058       0.210      0.001  0  0
   156 {4.H}   9.087  0.035  0.037 {4.HB}   4.131  0.036  0.071       0.210      0.002  0  0
   157 {?}   6.940  0.002  0.035 {?}   2.830  0.014  0.063       0.209      0.001  0  0
   158 {20.H}   8.057  0.023  0.032 {20.HB3}   1.880  0.041  0.069       0.209      0.003  0  0
   159 {8.HD22}   7.303  0.011  0.021 {11.QG2}   1.045  0.025  0.064       0.207      0.008  0  0
   160 {16.H}   8.730  0.023  0.050 {15.QG2}   1.152  0.023  0.066       0.204      0.004  0  0
   161 {14.H}   8.700  0.011  0.051 {14.HD1}   7.458  0.020  0.067       0.204      0.004  0  0
   162 {7.HD1}   6.500  0.015  0.051 {9.QG}   2.043  0.040  0.095       0.203      0.004  0  0
   163 {10.H}   7.752  0.023  0.032 {9.HB2}   1.959  0.040  0.066       0.203      0.003  0  0
   164 {20.H}   8.057  0.016  0.039 {20.HA}   4.120  0.024  0.068       0.203      0.006  0  0
   165 {?}   7.618  0.014  0.024 {?}   2.647  0.042  0.075       0.202      0.006  0  0
   166 {5.HD1}   6.937  0.005  0.030 {5.HB3}   2.591  0.046  0.086       0.201      0.005  0  0
   167 {17.H}   9.120  0.003  0.038 {3.HE3}   7.041  0.030  0.069       0.200      0.001  0  0
   168 {7.HE1}   9.976  0.015  0.047 {9.HA}   3.571  0.037  0.109       0.199      0.007  0  0
   169 {14.HE3}   6.897  0.016  0.049 {14.HB2}   2.792  0.047  0.084       0.199      0.002  0  0
   170 {11.H}   6.838  0.013  0.045 {8.HB3}   3.110  0.046  0.091       0.198      0.002  0  0
   171 {7.HE3}   5.650  0.020  0.048 {7.HB2}   1.300  0.038  0.112       0.198      0.003  0  0
   172 {7.HE1}   9.976  0.015  0.038 {9.HB3}   2.390  0.036  0.102       0.198      0.004  0  0
   173 {1.HB3}   1.896  0.030  0.053 {1.QG}   1.530  0.043  0.064       0.197      0.003  0  0
   174 {17.H}   9.120  0.010  0.047 {17.QG}   1.620  0.031  0.077       0.197      0.000  0  0
   175 {18.H}   8.474  0.009  0.032 {18.HG3}   0.741  0.045  0.076       0.197      0.002  0  0
   176 {11.H}   6.838  0.016  0.049 {11.HA}   4.336  0.027  0.083       0.197      0.004  0  0
   177 {9.HD2}   3.770  0.022  0.046 {9.HB3}   2.390  0.017  0.062       0.196      0.002  0  0
   178 {?}   7.197  0.008  0.030 {?}   1.476  0.022  0.065       0.193      0.006  0  0
   179 {7.HZ2}   7.370  0.016  0.049 {9.HB3}   2.390  0.036  0.084       0.192      0.001  0  0
   180 {8.HD22}   7.303  0.011  0.032 {10.QB}   1.430  0.022  0.060       0.191      0.005  0  0
   181 {10.H}   7.752  0.023  0.050 {9.HD2}   3.760  0.039  0.083       0.188      0.005  0  0
   182 {7.HE3}   5.650  0.012  0.044 {7.HB3}   2.477  0.015  0.121       0.185      0.002  0  0
   183 {18.HB3}   1.260  0.019  0.053 {18.HG2}   0.650  0.020  0.043       0.182      0.001  0  0
   184 {5.H}   9.169  0.002  0.059 {4.HB}   4.131  0.034  0.093       0.181      0.002  0  0
   185 {18.H}   8.474  0.022  0.035 {17.QG}   1.620  0.041  0.086       0.180      0.002  0  0
   186 {3.HZ2}   7.484  0.002  0.025 {18.QE}   2.697  0.015  0.089       0.180      0.001  0  0
   187 {3.HE3}   7.041  0.002  0.059 {18.HD3}   1.313  0.021  0.047       0.177      0.001  0  0
   188 {16.HZ3}   7.055  0.002  0.033 {5.HB2}   3.273  0.035  0.062       0.177      0.001  0  0
   189 {14.H}   8.700  0.010  0.048 {13.HG3}   1.470  0.049  0.116       0.177      0.002  0  0
   190 {18.HD2}   1.370  0.003  0.044 {18.HB2}   0.854  0.006  0.067       0.176      0.001  0  0
   191 {7.HD1}   6.500  0.017  0.028 {7.HB2}   1.300  0.041  0.075       0.175      0.004  0  0
   192 {19.H}   8.439  0.008  0.039 {19.HB2}   2.830  0.039  0.099       0.175      0.003  0  0
   193 {17.HE}   7.167  0.002  0.038 {17.QG}   1.620  0.029  0.069       0.175      0.002  0  0
   194 {13.H}   6.711  0.016  0.043 {12.HA3}   3.832  0.036  0.079       0.174      0.001  0  0
   195 {7.HD1}   6.500  0.015  0.042 {9.HD3}   3.598  0.037  0.107       0.174      0.004  0  0
   196 {4.H}   9.087  0.028  0.047 {4.QG2}   1.302  0.026  0.060       0.173      0.003  0  0
   197 {15.H}   8.960  0.005  0.083 {15.QG2}   1.152  0.023  0.066       0.172      0.003  0  0
   198 {17.HE}   7.167  0.002  0.044 {6.QG2}   1.228  0.025  0.052       0.170      0.001  0  0
   199 {7.H}   8.780  0.024  0.071 {7.HA}   3.792  0.038  0.086       0.167      0.003  0  0
   200 {11.HB}   4.193  0.002  0.039 {13.QD}   1.639  0.025  0.065       0.162      0.002  0  0
   201 {15.HA}   4.660  0.012  0.051 {15.HB}   4.134  0.018  0.061       0.159      0.002  0  0
   202 {8.H}   7.315  0.018  0.035 {7.HB3}   2.477  0.049  0.071       0.158      0.001  0  0
   203 {18.H}   8.474  0.022  0.034 {17.HB3}   1.741  0.044  0.089       0.158      0.002  0  0
   204 {6.HB}   3.980  0.006  0.045 {17.QG}   1.620  0.005  0.070       0.158      0.002  0  0
   205 {5.H}   9.169  0.005  0.044 {16.HZ3}   7.055  0.030  0.073       0.157      0.002  0  0
   206 {17.H}   9.120  0.002  0.048 {17.QD}   3.186  0.039  0.070       0.157      0.000  0  0
   207 {15.HA}   4.660  0.021  0.053 {15.QG2}   1.152  0.022  0.091       0.155      0.006  0  0
   208 {19.HA}   4.710  0.015  0.048 {19.HB2}   2.830  0.023  0.115       0.155      0.007  0  0
   209 {11.H}   6.838  0.013  0.057 {10.HA}   4.170  0.051  0.100       0.154      0.002  0  0
   210 {5.HH2}   7.110  0.002  0.035 {14.HB2}   2.792  0.051  0.080       0.153      0.001  0  0
   211 {6.H}   9.503  0.010  0.061 {15.H}   8.960  0.010  0.091       0.152      0.002  0  0
   212 {18.H}   8.474  0.013  0.035 {17.HB2}   1.919  0.043  0.087       0.152      0.002  0  0
   213 {11.HA}   4.336  0.002  0.045 {10.QB}   1.430  0.018  0.070       0.151      0.002  0  0
   214 {13.H}   6.711  0.002  0.042 {13.HB2}   1.801  0.033  0.075       0.151      0.002  0  0
   215 {14.H}   8.700  0.011  0.041 {14.HB3}   2.228  0.051  0.103       0.151      0.002  0  0
   216 {16.HH2}   7.150  0.002  0.048 {5.HB3}   2.591  0.006  0.065       0.148      0.001  0  0
   217 {17.H}   9.120  0.011  0.043 {16.HB2}   2.700  0.045  0.092       0.148      0.000  0  0
   218 {8.HD21}   7.265  0.002  0.035 {10.QB}   1.430  0.022  0.067       0.148      0.002  0  0
   219 {20.H}   8.057  0.022  0.043 {19.HA}   4.710  0.026  0.075       0.147      0.003  0  0
   220 {1.HA}   4.064  0.011  0.043 {1.HB3}   1.900  0.012  0.053       0.145      0.003  0  0
   221 {10.H}   7.752  0.021  0.041 {9.HA}   3.571  0.037  0.106       0.143      0.003  0  0
   222 {4.HB}   4.130  0.024  0.045 {17.HB3}   1.741  0.012  0.073       0.143      0.001  0  0
   223 {3.HZ2}   7.484  0.012  0.028 {18.HD3}   1.313  0.051  0.072       0.141      0.001  0  0
   224 {17.HA}   4.740  0.003  0.037 {17.QG}   1.620  0.014  0.055       0.139      0.001  0  0
   225 {7.HZ2}   7.370  0.015  0.045 {9.HA}   3.571  0.036  0.075       0.138      0.003  0  0
   226 {15.H}   8.960  0.002  0.066 {15.HB}   4.134  0.016  0.074       0.137      0.001  0  0
   227 {18.QE}   2.700  0.002  0.049 {18.HG3}   0.741  0.045  0.055       0.137      0.001  0  0
   228 {4.HB}   4.130  0.011  0.040 {17.QG}   1.620  0.016  0.079       0.136      0.001  0  0
   229 {1.QE}   3.059  0.018  0.037 {1.QG}   1.530  0.029  0.048       0.136      0.001  0  0
   230 {3.HE3}   7.041  0.002  0.053 {18.HB2}   0.854  0.024  0.060       0.136      0.001  0  0
   231 {?}   7.041  0.015  0.036 {?}   0.741  0.032  0.096       0.136      0.000  0  0
   232 {5.HE1}   9.451  0.015  0.028 {5.HH2}   7.100  0.027  0.050       0.135      0.001  0  0
   233 {7.HE1}   9.976  0.014  0.037 {9.QG}   2.043  0.037  0.087       0.134      0.003  0  0
   234 {16.HD1}   7.176  0.008  0.049 {5.HZ3}   6.790  0.011  0.077       0.130      0.003  0  0
   235 {3.HE3}   7.041  0.008  0.056 {18.HA}   3.720  0.048  0.067       0.130      0.001  0  0
   236 {5.HE3}   6.360  0.008  0.056 {5.HB2}   3.273  0.048  0.082       0.130      0.001  0  0
   237 {5.HE3}   6.360  0.003  0.046 {14.HB3}   2.228  0.022  0.076       0.129      0.001  0  0
   238 {3.HD1}   7.197  0.002  0.034 {18.HA}   3.720  0.043  0.072       0.127      0.002  0  0
   239 {17.HE}   7.167  0.002  0.036 {17.HB3}   1.741  0.028  0.065       0.127      0.001  0  0
   240 {5.HZ2}   7.160  0.023  0.037 {14.HB3}   2.228  0.050  0.081       0.127      0.001  0  0
   241 {13.HA}   4.670  0.007  0.042 {13.HG3}   1.470  0.040  0.062       0.125      0.002  0  0
   242 {1.HA}   4.064  0.008  0.040 {1.QG}   1.530  0.024  0.067       0.125      0.003  0  0
   243 {4.H}   9.087  0.006  0.033 {3.HE3}   7.041  0.013  0.058       0.125      0.001  0  0
   244 {6.H}   9.503  0.022  0.046 {6.QG2}   1.228  0.028  0.055       0.125      0.003  0  0
   245 {17.H}   9.120  0.010  0.038 {16.HE3}   6.970  0.055  0.055       0.125      0.000  0  0
   246 {19.H}   8.439  0.007  0.036 {19.HA}   4.710  0.008  0.071       0.124      0.001  0  0
   247 {12.H}   8.019  0.008  0.045 {11.HB}   4.193  0.046  0.057       0.124      0.001  0  0
   248 {17.HA}   4.740  0.024  0.045 {17.HB2}   1.919  0.012  0.061       0.124      0.001  0  0
   249 {12.H}   8.019  0.011  0.041 {11.HA}   4.336  0.025  0.057       0.123      0.002  0  0
   250 {7.HH2}   7.020  0.023  0.053 {12.HA3}   3.832  0.041  0.085       0.122      0.001  0  0
   251 {3.HE3}   7.041  0.002  0.049 {2.QB}   1.476  0.022  0.052       0.120      0.002  0  0
   252 {7.H}   8.780  0.013  0.056 {6.HB}   3.980  0.018  0.076       0.118      0.002  0  0
   253 {17.H}   9.120  0.002  0.062 {16.HB3}   3.107  0.042  0.080       0.117     -0.000  0  0
   254 {19.H}   8.439  0.006  0.030 {18.HG2}   0.650  0.002  0.070       0.115      0.001  0  0
   255 {3.HZ3}   7.620  0.014  0.020 {3.QB}   2.830  0.039  0.073       0.114      0.003  0  0
   256 {7.HE1}   9.976  0.008  0.031 {9.HB2}   1.959  0.039  0.082       0.112      0.001  0  0
   257 {7.H}   8.780  0.002  0.047 {14.HZ3}   7.150  0.036  0.072       0.112      0.002  0  0
   258 {12.H}   8.019  0.011  0.063 {9.HA}   3.571  0.035  0.083       0.111      0.003  0  0
   259 {11.H}   6.838  0.008  0.035 {12.HA2}   3.258  0.042  0.087       0.110      0.001  0  0
   260 {14.HZ2}   7.209  0.002  0.035 {7.HA}   3.792  0.024  0.074       0.110      0.001  0  0
   261 {?}   3.980  0.019  0.057 {?}   1.741  0.012  0.072       0.110      0.001  0  0
   262 {15.H}   8.960  0.002  0.051 {6.QG2}   1.228  0.017  0.069       0.109      0.001  0  0
   263 {?}   6.669  0.017  0.037 {?}   2.394  0.050  0.073       0.108      0.001  0  0
   264 {10.QB}   1.433  0.010  0.056 {11.QG2}   1.045  0.026  0.062       0.108      0.007  0  0
   265 {17.QG}   1.620  0.004  0.042 {6.QG2}   1.228  0.025  0.055       0.107      0.002  0  0
   266 {14.H}   8.700  0.015  0.046 {13.HG2}   1.329  0.043  0.089       0.105      0.001  0  0
   267 {7.HA}   3.790  0.002  0.055 {6.QG2}   1.228  0.009  0.037       0.104      0.001  0  0
   268 {8.H}   7.315  0.013  0.027 {7.HB2}   1.300  0.040  0.075       0.104      0.001  0  0
   269 {13.QD}   1.639  0.003  0.053 {15.QG2}   1.152  0.012  0.064       0.104      0.001  0  0
   270 {7.HZ3}   6.670  0.008  0.052 {13.HA}   4.668  0.045  0.063       0.104      0.001  0  0
   271 {18.HD2}   1.370  0.003  0.043 {18.HG2}   0.650  0.021  0.053       0.103      0.001  0  0
   272 {7.HE1}   9.976  0.002  0.028 {7.HB3}   2.477  0.024  0.075       0.103      0.001  0  0
   273 {14.HD1}   7.458  0.020  0.021 {14.HB3}   2.228  0.022  0.092       0.102      0.002  0  0
   274 {19.HA}   4.710  0.005  0.055 {19.HB3}   2.650  0.013  0.133       0.102     -0.003  0  0
   275 {15.H}   8.960  0.002  0.061 {14.HB3}   2.228  0.023  0.119       0.102      0.001  0  0
   276 {13.H}   6.711  0.016  0.042 {13.HA}   4.668  0.025  0.081       0.102      0.001  0  0
   277 {14.HE3}   6.897  0.028  0.031 {5.HB3}   2.591  0.047  0.059       0.101      0.001  0  0
   278 {17.HE}   7.167  0.015  0.030 {17.HB2}   1.919  0.048  0.067       0.101      0.001  0  0
   279 {14.HD1}   7.458  0.008  0.025 {7.HZ3}   6.670  0.031  0.063       0.101      0.006  0  0
   280 {12.H}   8.019  0.008  0.056 {10.QB}   1.430  0.032  0.050       0.100      0.001  0  0
   281 {8.H}   7.315  0.002  0.070 {7.HE3}   5.646  0.032  0.067       0.100      0.001  0  0
   282 {20.H}   8.057  0.020  0.027 {19.HB2}   2.830  0.042  0.054       0.099      0.002  0  0
   283 {5.H}   9.169  0.002  0.045 {5.HD1}   6.937  0.024  0.054       0.099      0.001  0  0
   284 {9.HA}   3.571  0.011  0.047 {12.HA2}   3.258  0.017  0.075       0.099      0.001  0  0
   285 {16.H}   8.730  0.025  0.043 {16.HD1}   7.170  0.026  0.067       0.099      0.002  0  0
   286 {13.H}   6.711  0.018  0.035 {8.HB2}   2.390  0.033  0.063       0.097      0.001  0  0
   287 {8.HD22}   7.303  0.002  0.028 {15.QG2}   1.152  0.017  0.062       0.097      0.002  0  0
   288 {14.HZ2}   7.209  0.002  0.024 {7.HB3}   2.477  0.022  0.071       0.096      0.001  0  0
   289 {5.HE3}   6.360  0.002  0.050 {5.HB3}   2.591  0.045  0.082       0.095      0.001  0  0
   290 {?}   7.256  0.012  0.035 {?}   1.257  0.031  0.055       0.094      0.000  0  0
   291 {7.HD1}   6.500  0.015  0.040 {7.HA}   3.792  0.046  0.091       0.093      0.002  0  0
   292 {8.HB2}   2.390  0.013  0.058 {15.QG2}   1.152  0.016  0.051       0.093      0.001  0  0
   293 {7.HZ3}   6.670  0.003  0.029 {12.HA2}   3.258  0.047  0.077       0.093      0.001  0  0
   294 {18.HB2}   0.850  0.007  0.068 {18.HG2}   0.650  0.019  0.073       0.092      0.003  0  0
   295 {12.H}   8.019  0.008  0.040 {8.HB3}   3.110  0.051  0.080       0.091      0.001  0  0
   296 {7.HZ3}   6.670  0.002  0.038 {7.HA}   3.792  0.005  0.077       0.089      0.001  0  0
   297 {14.HE3}   6.897  0.002  0.038 {7.HB2}   1.300  0.025  0.063       0.088      0.001  0  0
   298 {8.HB3}   3.110  0.024  0.077 {11.QG2}   1.045  0.021  0.032       0.088      0.001  0  0
   299 {17.H}   9.120  0.005  0.045 {16.HA}   5.160  0.036  0.067       0.087      0.000  0  0
   300 {20.H}   8.057  0.020  0.027 {20.QG}   2.190  0.033  0.048       0.086      0.002  0  0
   301 {3.HE3}   7.041  0.002  0.037 {17.HB2}   1.919  0.015  0.045       0.084      0.001  0  0
   302 {3.HH2}   7.256  0.017  0.026 {18.HD3}   1.313  0.043  0.066       0.084      0.001  0  0
   303 {?}   6.794  0.017  0.035 {?}   3.107  0.043  0.066       0.083      0.001  0  0
   304 {16.HD1}   7.176  0.003  0.038 {15.QG2}   1.152  0.021  0.044       0.083      0.001  0  0
   305 {14.HZ3}   7.150  0.018  0.031 {7.HB3}   2.477  0.040  0.066       0.082      0.001  0  0
   306 {3.HE3}   7.041  0.008  0.032 {17.QD}   3.186  0.005  0.048       0.081      0.001  0  0
   307 {3.HE3}   7.041  0.008  0.040 {17.HB3}   1.741  0.049  0.063       0.081      0.001  0  0
   308 {12.H}   8.019  0.014  0.048 {11.QG2}   1.045  0.026  0.052       0.080      0.002  0  0
   309 {5.HZ3}   6.794  0.028  0.045 {14.HB2}   2.792  0.052  0.075       0.080      0.001  0  0
   310 {8.H}   7.315  0.002  0.042 {13.H}   6.710  0.029  0.081       0.080      0.002  0  0
   311 {5.HD1}   6.937  0.002  0.030 {14.HB3}   2.228  0.064  0.037       0.079      0.001  0  0
   312 {16.H}   8.730  0.024  0.043 {5.HZ3}   6.790  0.024  0.076       0.079      0.002  0  0
   313 {?}   9.087  0.022  0.032 {?}   6.970  0.031  0.051       0.079      0.001  0  0
   314 {3.QB}   2.840  0.020  0.045 {2.QB}   1.476  0.019  0.039       0.078      0.001  0  0
   315 {16.HD1}   7.167  0.006  0.050 {15.HB}   4.134  0.010  0.056       0.078      0.000  0  0
   316 {20.QG}   2.190  0.004  0.075 {20.HB3}   1.880  0.013  0.107       0.078     -0.003  0  0
   317 {5.H}   9.169  0.005  0.045 {16.HE3}   6.982  0.013  0.043       0.077      0.001  0  0
   318 {5.HH2}   7.110  0.015  0.041 {15.QG2}   1.152  0.045  0.080       0.076      0.000  0  0
   319 {7.HE1}   9.975  0.016  0.036 {12.HA2}   3.256  0.055  0.101       0.076      0.002  0  0
   320 {20.H}   8.057  0.023  0.026 {20.HB2}   2.070  0.031  0.040       0.076      0.001  0  0
   321 {3.HE3}   7.041  0.016  0.037 {18.HG2}   0.650  0.048  0.068       0.076      0.000  0  0
   322 {7.HH2}   7.020  0.013  0.038 {9.HB3}   2.390  0.016  0.066       0.075      0.001  0  0
   323 {3.HE3}   7.041  0.009  0.057 {17.HA}   4.744  0.014  0.101       0.073      0.000  0  0
   324 {5.HZ3}   6.794  0.021  0.041 {16.HB2}   2.700  0.040  0.068       0.073      0.001  0  0
   325 {8.HD21}   7.265  0.002  0.027 {15.QG2}   1.152  0.026  0.050       0.072      0.002  0  0
   326 {5.HZ3}   6.794  0.005  0.040 {14.HB3}   2.228  0.006  0.084       0.071      0.001  0  0
   327 {5.HZ3}   6.794  0.008  0.045 {5.HB2}   3.273  0.025  0.074       0.071      0.000  0  0
   328 {3.HD1}   7.197  0.006  0.016 {18.HD2}   1.374  0.016  0.051       0.070      0.001  0  0
   329 {3.HD1}   7.197  0.015  0.024 {18.HB2}   0.854  0.041  0.070       0.070      0.001  0  0
   330 {7.HH2}   7.020  0.002  0.044 {9.HA}   3.571  0.043  0.070       0.069      0.001  0  0
   331 {3.HE3}   7.041  0.008  0.036 {17.QG}   1.620  0.038  0.058       0.068      0.001  0  0
   332 {?}   6.940  0.009  0.015 {?}   2.700  0.018  0.080       0.067      0.001  0  0
   333 {11.H}   6.838  0.002  0.029 {8.HB2}   2.390  0.035  0.054       0.067      0.001  0  0
   334 {?}   8.439  0.006  0.028 {?}   1.620  0.017  0.064       0.067      0.001  0  0
   335 {20.H}   8.057  0.022  0.024 {19.HB3}   2.650  0.045  0.050       0.066      0.001  0  0
   336 {13.H}   6.711  0.002  0.045 {9.HA}   3.571  0.021  0.060       0.065      0.000  0  0
   337 {3.HZ3}   7.620  0.007  0.027 {17.QD}   3.186  0.012  0.093       0.064      0.000  0  0
   338 {13.HB2}   1.801  0.013  0.038 {15.QG2}   1.152  0.016  0.053       0.064      0.001  0  0
   339 {7.HZ3}   6.670  0.019  0.049 {9.HA}   3.571  0.050  0.086       0.064      0.001  0  0
   340 {14.HE1}  10.140  0.006  0.035 {7.HZ3}   6.670  0.009  0.085       0.063      0.001  0  0
   341 {17.HB2}   1.920  0.017  0.054 {6.QG2}   1.228  0.028  0.054       0.063      0.001  0  0
   342 {18.HA}   3.722  0.021  0.030 {18.HD2}   1.374  0.039  0.037       0.063      0.001  0  0
   343 {3.HH2}   7.256  0.018  0.034 {18.HB2}   0.854  0.048  0.070       0.063      0.001  0  0
   344 {6.H}   9.503  0.020  0.049 {5.HB2}   3.273  0.046  0.087       0.062      0.001  0  0
   345 {3.HZ3}   7.620  0.014  0.030 {2.QB}   1.476  0.023  0.080       0.060      0.001  0  0
   346 {4.H}   9.087  0.024  0.059 {18.HA}   3.720  0.037  0.083       0.060      0.001  0  0
   347 {11.H}   6.838  0.009  0.037 {12.HA3}   3.832  0.044  0.077       0.060      0.000  0  0
   348 {10.H}   7.752  0.020  0.023 {9.HB3}   2.390  0.039  0.046       0.060      0.001  0  0
   349 {14.HZ3}   7.150  0.011  0.045 {7.HA}   3.792  0.016  0.058       0.058      0.000  0  0
   350 {12.H}   8.019  0.014  0.059 {13.HG2}   1.329  0.029  0.056       0.058      0.001  0  0
   351 {?}   9.450  0.011  0.031 {?}   7.060  0.042  0.060       0.058      0.001  0  0
   352 {19.H}   8.439  0.011  0.044 {20.H}   8.057  0.022  0.060       0.058      0.002  0  0
   353 {1.HA}   4.064  0.008  0.044 {2.QB}   1.476  0.018  0.039       0.057      0.001  0  0
   354 {8.H}   7.315  0.017  0.035 {9.HA}   3.571  0.043  0.097       0.056      0.001  0  0
   355 {7.HZ3}   6.670  0.002  0.026 {7.HB2}   1.300  0.013  0.040       0.056      0.001  0  0
   356 {5.HE1}   9.451  0.018  0.038 {14.HB2}   2.792  0.052  0.092       0.056      0.000  0  0
   357 {?}   6.670  0.006  0.047 {?}   2.040  0.018  0.052       0.055      0.001  0  0
   358 {16.HE1}   9.797  0.002  0.040 {5.HZ3}   6.790  0.023  0.066       0.055      0.000  0  0
   359 {13.H}   6.711  0.002  0.052 {11.HB}   4.193  0.047  0.066       0.054      0.001  0  0
   360 {5.HE3}   6.360  0.002  0.043 {14.HB2}   2.792  0.041  0.053       0.054      0.001  0  0
   361 {3.HE3}   7.041  0.008  0.033 {4.HB}   4.131  0.039  0.058       0.054      0.001  0  0
   362 {15.H}   8.960  0.017  0.058 {14.HB2}   2.792  0.042  0.088       0.054      0.001  0  0
   363 {8.HB3}   3.110  0.019  0.052 {15.QG2}   1.152  0.017  0.042       0.053      0.001  0  0
   364 {8.H}   7.315  0.014  0.030 {6.QG2}   1.228  0.031  0.049       0.053      0.001  0  0
   365 {14.HE3}   6.897  0.008  0.035 {7.HA}   3.792  0.040  0.060       0.053      0.001  0  0
   366 {3.HZ2}   7.484  0.013  0.039 {18.HB2}   0.854  0.044  0.062       0.053      0.001  0  0
   367 {5.HZ3}   6.794  0.006  0.061 {15.HA}   4.657  0.025  0.079       0.052      0.001  0  0
   368 {14.H}   8.700  0.014  0.047 {7.HZ3}   6.670  0.038  0.070       0.051      0.001  0  0
   369 {?}   7.197  0.015  0.019 {?}   0.650  0.038  0.056       0.051      0.001  0  0
   370 {?}   9.975  0.001  0.035 {?}   3.819  0.002  0.077       0.050      0.001  0  0
   371 {?}   9.169  0.010  0.045 {?}   7.130  0.006  0.044       0.050      0.000  0  0
   372 {18.H}   8.474  0.018  0.034 {3.HE3}   7.041  0.044  0.084       0.050      0.001  0  0
   373 {3.HD1}   7.197  0.005  0.031 {2.HA}   4.470  0.030  0.057       0.049      0.001  0  0
   374 {3.HZ2}   7.484  0.014  0.028 {2.QB}   1.476  0.034  0.067       0.049      0.000  0  0
   375 {?}   7.197  0.013  0.023 {?}   0.741  0.022  0.048       0.049      0.001  0  0
   376 {7.HD1}   6.500  0.015  0.025 {9.HB2}   1.959  0.018  0.056       0.048      0.001  0  0
   377 {12.H 12.H}   8.019  0.008  0.029 {8.HB2 9.HB3}   2.390  0.002  0.055       0.048      0.001  0  0
   378 {8.HD22}   7.303  0.002  0.036 {11.H}   6.838  0.028  0.076       0.048      0.001  0  0
   379 {18.H}   8.474  0.022  0.026 {17.QD}   3.186  0.033  0.043       0.047      0.001  0  0
   380 {3.HE1}  10.220  0.008  0.045 {18.HD3}   1.313  0.010  0.053       0.047      0.001  0  0
   381 {7.HH2}   7.020  0.013  0.054 {7.HE3}   5.646  0.018  0.062       0.047      0.000  0  0
   382 {7.H}   8.780  0.011  0.039 {14.HZ2}   7.210  0.021  0.058       0.046      0.001  0  0
   383 {6.HB}   3.980  0.002  0.040 {4.QG2}   1.302  0.046  0.037       0.045      0.001  0  0
   384 {14.HD1}   7.458  0.008  0.047 {7.HE3}   5.646  0.009  0.047       0.045      0.001  0  0
   385 {?}   9.800  0.006  0.038 {?}   7.040  0.015  0.087       0.045      0.001  0  0
   386 {14.HD1}   7.458  0.008  0.018 {7.HB2}   1.300  0.024  0.066       0.045      0.001  0  0
   387 {20.H}   8.057  0.012  0.032 {18.HG3}   0.741  0.011  0.061       0.044      0.001  0  0
   388 {15.H}   8.960  0.007  0.039 {14.H}   8.700  0.016  0.060       0.044      0.000  0  0
   389 {10.H}   7.752  0.020  0.027 {11.QG2}   1.045  0.022  0.057       0.043      0.001  0  0
   390 {17.H}   9.120  0.009  0.042 {6.QG2}   1.228  0.029  0.042       0.043      0.000  0  0
   391 {14.H}   8.700  0.002  0.039 {13.QD}   1.639  0.037  0.072       0.042      0.000  0  0
   392 {?}   8.960  0.002  0.058 {?}   3.980  0.040  0.082       0.042      0.001  0  0
   393 {14.HE1}  10.140  0.002  0.027 {7.HB2}   1.300  0.017  0.091       0.042      0.001  0  0
   394 {?}   9.800  0.002  0.048 {?}   2.830  0.024  0.073       0.041      0.001  0  0
   395 {13.H}   6.711  0.003  0.037 {13.QD}   1.639  0.003  0.056       0.041      0.000  0  0
   396 {?}   7.041  0.005  0.030 {?}   4.470  0.007  0.062       0.041      0.001  0  0
   397 {7.HE3}   5.650  0.007  0.036 {9.HA}   3.571  0.017  0.108       0.040      0.000  0  0
   398 {6.HB}   3.980  0.018  0.038 {17.QD}   3.186  0.013  0.048       0.040      0.001  0  0
   399 {4.H}   9.087  0.004  0.043 {19.H}   8.440  0.006  0.048       0.040      0.000  0  0
   400 {3.HZ2}   7.484  0.007  0.036 {18.HG3}   0.741  0.012  0.068       0.040      0.000  0  0
   401 {20.H}   8.057  0.009  0.024 {18.HB3}   1.257  0.040  0.053       0.039      0.001  0  0
   402 {3.HE1}  10.220  0.009  0.046 {18.HB3}   1.257  0.019  0.053       0.039      0.001  0  0
   403 {10.H}   7.752  0.010  0.024 {8.HB3}   3.110  0.041  0.071       0.039      0.001  0  0
   404 {3.HZ3}   7.620  0.011  0.028 {18.HD3}   1.313  0.024  0.071       0.038      0.001  0  0
   405 {5.HZ3}   6.794  0.011  0.030 {15.HB}   4.134  0.017  0.062       0.038      0.000  0  0
   406 {13.H}   6.711  0.011  0.041 {11.QG2}   1.045  0.020  0.035       0.037      0.001  0  0
   407 {16.HE3}   6.980  0.012  0.028 {5.HB2}   3.273  0.031  0.040       0.037      0.000  0  0
   408 {11.H}   6.838  0.017  0.043 {9.HA}   3.571  0.038  0.084       0.037      0.001  0  0
   409 {?}   9.120  0.008  0.046 {?}   1.152  0.022  0.047       0.037      0.000  0  0
   410 {17.H}   9.120  0.009  0.033 {16.H}   8.730  0.021  0.064       0.036     -0.000  0  0
   411 {15.H}   8.960  0.022  0.055 {15.HA}   4.657  0.033  0.061       0.036      0.001  0  0
   412 {3.HZ2}   7.484  0.008  0.032 {18.HG2}   0.650  0.041  0.057       0.036      0.000  0  0
   413 {3.H}   8.330  0.018  0.046 {3.HD1}   7.197  0.020  0.066       0.036      0.003  0  0
   414 {6.H}   9.503  0.019  0.045 {17.H}   9.120  0.014  0.060       0.036      0.000  0  0
   415 {4.H}   9.087  0.013  0.037 {3.H}   8.330  0.018  0.036       0.036      0.001  0  0
   416 {7.HZ2}   7.370  0.016  0.043 {9.QG}   2.043  0.036  0.067       0.035      0.000  0  0
   417 {7.HZ2}   7.370  0.002  0.036 {7.HZ3}   6.670  0.031  0.066       0.035      0.001  0  0
   418 {13.H}   6.711  0.002  0.044 {15.QG2}   1.152  0.064  0.046       0.034      0.000  0  0
   419 {?}  10.140  0.016  0.025 {?}   6.500  0.023  0.060       0.034      0.001  0  0
   420 {3.HE1}  10.220  0.005  0.028 {18.HB2}   0.854  0.005  0.096       0.034      0.001  0  0
   421 {17.H}   9.120  0.005  0.044 {17.HA}   4.744  0.036  0.080       0.034      0.000  0  0
   422 {14.HD1}   7.458  0.012  0.014 {13.HB2}   1.801  0.046  0.128       0.034      0.000  0  0
   423 {3.HE1}  10.220  0.004  0.024 {3.QB}   2.830  0.007  0.080       0.033      0.001  0  0
   424 {8.HD21}   7.265  0.010  0.024 {15.HB}   4.134  0.046  0.085       0.033      0.001  0  0
   425 {6.H}   9.503  0.020  0.035 {4.QG2}   1.302  0.025  0.037       0.033      0.001  0  0
   426 {5.HZ3}   6.794  0.002  0.032 {15.QG2}   1.152  0.021  0.047       0.033      0.001  0  0
   427 {7.HZ2}   7.370  0.008  0.035 {9.HB2}   1.959  0.009  0.066       0.033      0.001  0  0
   428 {6.H}   9.503  0.019  0.054 {4.HB}   4.131  0.032  0.069       0.032      0.000  0  0
   429 {16.HE3}   6.980  0.005  0.025 {5.HB3}   2.591  0.014  0.064       0.032      0.001  0  0
   430 {15.H}   8.960  0.002  0.049 {7.HA}   3.792  0.036  0.071       0.032      0.000  0  0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1   1.797   2.055  -0.630
    2    HA   LYS   1           HA       LYS   1   3.169   0.087  -1.376
    3   1HB   LYS   1          1HB       LYS   1   0.912  -0.256   0.583
    4   2HB   LYS   1          2HB       LYS   1   2.045  -1.562   0.262
    5   1HG   LYS   1          1HG       LYS   1   3.896  -0.145   0.970
    6   2HG   LYS   1          2HG       LYS   1   2.771   1.181   1.273
    7   1HD   LYS   1          1HD       LYS   1   2.919   0.330   3.385
    8   2HD   LYS   1          2HD       LYS   1   1.589  -0.657   2.774
    9   1HE   LYS   1          1HE       LYS   1   3.377  -2.336   2.081
   10   2HE   LYS   1          2HE       LYS   1   4.485  -1.404   3.086
   11   1HZ   LYS   1          1HZ       LYS   1   3.124  -3.431   4.033
   12   2HZ   LYS   1          2HZ       LYS   1   1.950  -2.238   4.278
   13   3HZ   LYS   1          3HZ       LYS   1   3.478  -2.080   4.988
   14    H    ALA   2           H        ALA   2   1.109   0.583  -3.423
   15    HA   ALA   2           HA       ALA   2  -0.250  -1.926  -3.830
   16   1HB   ALA   2          1HB       ALA   2  -1.561  -0.583  -5.013
   17   2HB   ALA   2          2HB       ALA   2  -0.376   0.722  -4.931
   18   3HB   ALA   2          3HB       ALA   2  -0.284  -0.473  -6.225
   19    H    TRP   3           H        TRP   3   1.885  -0.185  -6.082
   20    HA   TRP   3           HA       TRP   3   3.337  -2.696  -6.555
   21   1HB   TRP   3          1HB       TRP   3   2.788  -0.905  -8.878
   22   2HB   TRP   3          2HB       TRP   3   3.045  -2.647  -8.840
   23    HD1  TRP   3           HD1      TRP   3   0.826  -3.869  -7.286
   24    HE1  TRP   3           HE1      TRP   3  -1.666  -3.541  -7.837
   25    HE3  TRP   3           HE3      TRP   3   1.154   0.462  -9.982
   26    HZ2  TRP   3           HZ2      TRP   3  -3.280  -1.691  -9.230
   27    HZ3  TRP   3           HZ3      TRP   3  -0.910   1.446 -10.889
   28    HH2  TRP   3           HH2      TRP   3  -3.081   0.390 -10.521
   29    H    THR   4           H        THR   4   4.955  -1.646  -8.636
   30    HA   THR   4           HA       THR   4   7.044  -0.507  -7.174
   31    HB   THR   4           HB       THR   4   6.700  -0.197 -10.156
   32    HG1  THR   4           HG1      THR   4   7.374  -2.458  -8.597
   33   1HG2  THR   4          1HG2      THR   4   8.981  -0.076  -8.238
   34   2HG2  THR   4          2HG2      THR   4   8.626   0.946  -9.630
   35   3HG2  THR   4          3HG2      THR   4   9.273  -0.677  -9.869
   36    H    TRP   5           H        TRP   5   8.016   1.600  -7.351
   37    HA   TRP   5           HA       TRP   5   6.092   3.733  -8.004
   38   1HB   TRP   5          1HB       TRP   5   6.236   3.556  -5.590
   39   2HB   TRP   5          2HB       TRP   5   7.996   3.601  -5.657
   40    HD1  TRP   5           HD1      TRP   5   9.122   5.934  -5.583
   41    HE1  TRP   5           HE1      TRP   5   8.257   8.357  -5.521
   42    HE3  TRP   5           HE3      TRP   5   4.177   5.056  -6.540
   43    HZ2  TRP   5           HZ2      TRP   5   5.804   9.717  -5.834
   44    HZ3  TRP   5           HZ3      TRP   5   2.637   6.973  -6.641
   45    HH2  TRP   5           HH2      TRP   5   3.436   9.254  -6.295
   46    H    THR   6           H        THR   6   7.043   4.048 -10.037
   47    HA   THR   6           HA       THR   6   9.746   5.225  -9.954
   48    HB   THR   6           HB       THR   6   9.595   3.055 -11.217
   49    HG1  THR   6           HG1      THR   6  11.240   4.505 -11.744
   50   1HG2  THR   6          1HG2      THR   6   8.057   2.716 -12.797
   51   2HG2  THR   6          2HG2      THR   6   8.486   4.218 -13.615
   52   3HG2  THR   6          3HG2      THR   6   7.307   4.233 -12.304
   53    H    TRP   7           H        TRP   7  10.108   6.687 -11.941
   54    HA   TRP   7           HA       TRP   7   8.199   8.792 -11.807
   55   1HB   TRP   7          1HB       TRP   7  10.431   9.481 -12.109
   56   2HB   TRP   7          2HB       TRP   7  10.697   8.340 -13.424
   57    HD1  TRP   7           HD1      TRP   7  11.004   9.632 -15.601
   58    HE1  TRP   7           HE1      TRP   7   9.916  11.686 -16.706
   59    HE3  TRP   7           HE3      TRP   7   7.735  10.916 -11.887
   60    HZ2  TRP   7           HZ2      TRP   7   7.936  13.599 -16.085
   61    HZ3  TRP   7           HZ3      TRP   7   6.279  12.872 -12.221
   62    HH2  TRP   7           HH2      TRP   7   6.380  14.184 -14.277
   63    H    ASN   8           H        ASN   8   6.464   9.163 -13.026
   64    HA   ASN   8           HA       ASN   8   6.126   7.564 -15.476
   65   1HB   ASN   8          1HB       ASN   8   4.521   7.233 -13.497
   66   2HB   ASN   8          2HB       ASN   8   3.877   8.818 -13.912
   67   1HD2  ASN   8          2HD2      ASN   8   2.004   8.529 -14.879
   68   2HD2  ASN   8          1HD2      ASN   8   1.680   7.403 -16.148
   69    HA   PRO   9           HA       PRO   9   6.532  11.844 -17.046
   70   1HB   PRO   9          1HB       PRO   9   7.563  11.084 -19.439
   71   2HB   PRO   9          2HB       PRO   9   8.550  11.276 -17.986
   72   1HG   PRO   9          1HG       PRO   9   7.431   8.779 -19.199
   73   2HG   PRO   9          2HG       PRO   9   9.045   9.068 -18.522
   74   1HD   PRO   9          1HD       PRO   9   7.097   7.786 -17.146
   75   2HD   PRO   9          2HD       PRO   9   8.321   8.796 -16.351
   76    H    ALA  10           H        ALA  10   4.827   9.044 -18.063
   77    HA   ALA  10           HA       ALA  10   3.628   9.850 -20.431
   78   1HB   ALA  10          1HB       ALA  10   2.999   7.727 -20.074
   79   2HB   ALA  10          2HB       ALA  10   3.028   7.907 -18.319
   80   3HB   ALA  10          3HB       ALA  10   1.625   8.452 -19.238
   81    H    THR  11           H        THR  11   2.766  10.622 -17.098
   82    HA   THR  11           HA       THR  11   0.747  12.509 -18.124
   83    HB   THR  11           HB       THR  11  -0.380  12.340 -15.942
   84    HG1  THR  11           HG1      THR  11   1.855  10.762 -15.388
   85   1HG2  THR  11          1HG2      THR  11   0.075   9.793 -17.482
   86   2HG2  THR  11          2HG2      THR  11  -1.282  10.915 -17.596
   87   3HG2  THR  11          3HG2      THR  11  -1.091   9.904 -16.164
   88    H    GLY  12           H        GLY  12   3.479  12.036 -15.991
   89   1HA   GLY  12          1HA       GLY  12   4.983  13.922 -15.677
   90   2HA   GLY  12          2HA       GLY  12   3.568  14.959 -15.588
   91    H    LYS  13           H        LYS  13   2.894  12.149 -13.960
   92    HA   LYS  13           HA       LYS  13   3.924  13.186 -11.407
   93   1HB   LYS  13          1HB       LYS  13   1.777  12.612 -10.336
   94   2HB   LYS  13          2HB       LYS  13   1.594  13.860 -11.562
   95   1HG   LYS  13          1HG       LYS  13   0.808  12.138 -13.147
   96   2HG   LYS  13          2HG       LYS  13   0.905  10.943 -11.852
   97   1HD   LYS  13          1HD       LYS  13  -1.314  11.539 -11.734
   98   2HD   LYS  13          2HD       LYS  13  -0.604  12.659 -10.570
   99   1HE   LYS  13          1HE       LYS  13  -0.863  13.460 -13.437
  100   2HE   LYS  13          2HE       LYS  13  -2.273  13.526 -12.381
  101   1HZ   LYS  13          1HZ       LYS  13  -0.521  14.773 -10.856
  102   2HZ   LYS  13          2HZ       LYS  13  -1.461  15.585 -12.003
  103   3HZ   LYS  13          3HZ       LYS  13   0.137  15.164 -12.365
  104    H    TRP  14           H        TRP  14   4.868  11.698 -10.157
  105    HA   TRP  14           HA       TRP  14   5.518   9.165 -11.026
  106   1HB   TRP  14          1HB       TRP  14   5.320  10.221  -8.200
  107   2HB   TRP  14          2HB       TRP  14   6.059   8.678  -8.620
  108    HD1  TRP  14           HD1      TRP  14   6.532  12.433  -9.495
  109    HE1  TRP  14           HE1      TRP  14   9.047  12.849  -9.847
  110    HE3  TRP  14           HE3      TRP  14   8.235   7.647  -8.918
  111    HZ2  TRP  14           HZ2      TRP  14  11.437  11.347  -9.876
  112    HZ3  TRP  14           HZ3      TRP  14  10.650   7.222  -9.124
  113    HH2  TRP  14           HH2      TRP  14  12.216   9.034  -9.594
  114    H    THR  15           H        THR  15   4.065   7.685 -11.636
  115    HA   THR  15           HA       THR  15   1.831   7.095  -9.806
  116    HB   THR  15           HB       THR  15   0.602   6.204 -11.714
  117    HG1  THR  15           HG1      THR  15   1.493   6.370 -13.805
  118   1HG2  THR  15          1HG2      THR  15  -0.177   8.240 -12.212
  119   2HG2  THR  15          2HG2      THR  15   1.339   8.711 -12.980
  120   3HG2  THR  15          3HG2      THR  15   1.144   8.882 -11.236
  121    H    TRP  16           H        TRP  16   1.305   4.928  -9.385
  122    HA   TRP  16           HA       TRP  16   3.501   3.176  -9.136
  123   1HB   TRP  16          1HB       TRP  16   0.577   2.423  -8.987
  124   2HB   TRP  16          2HB       TRP  16   1.933   1.586  -8.237
  125    HD1  TRP  16           HD1      TRP  16  -0.448   4.478  -7.713
  126    HE1  TRP  16           HE1      TRP  16  -0.060   5.485  -5.377
  127    HE3  TRP  16           HE3      TRP  16   3.844   1.997  -6.463
  128    HZ2  TRP  16           HZ2      TRP  16   1.818   5.258  -3.281
  129    HZ3  TRP  16           HZ3      TRP  16   4.873   2.450  -4.274
  130    HH2  TRP  16           HH2      TRP  16   3.879   4.047  -2.718
  131    H    ARG  17           H        ARG  17   3.932   1.190 -10.158
  132    HA   ARG  17           HA       ARG  17   2.603   0.794 -12.755
  133   1HB   ARG  17          1HB       ARG  17   5.526   0.222 -12.381
  134   2HB   ARG  17          2HB       ARG  17   4.632   0.480 -13.873
  135   1HG   ARG  17          1HG       ARG  17   5.197   2.614 -11.827
  136   2HG   ARG  17          2HG       ARG  17   6.141   2.343 -13.293
  137   1HD   ARG  17          1HD       ARG  17   3.191   2.716 -13.511
  138   2HD   ARG  17          2HD       ARG  17   4.214   4.126 -13.237
  139    HE   ARG  17           HE       ARG  17   4.017   2.559 -15.650
  140   1HH1  ARG  17          1HH1      ARG  17   5.939   4.805 -13.810
  141   2HH1  ARG  17          2HH1      ARG  17   6.812   5.389 -15.188
  142   1HH2  ARG  17          1HH2      ARG  17   5.159   3.320 -17.472
  143   2HH2  ARG  17          2HH2      ARG  17   6.367   4.544 -17.271
  144    H    LYS  18           H        LYS  18   1.986  -1.238 -13.194
  145    HA   LYS  18           HA       LYS  18   2.934  -3.374 -11.397
  146   1HB   LYS  18          1HB       LYS  18   0.718  -4.438 -11.701
  147   2HB   LYS  18          2HB       LYS  18   0.617  -2.867 -10.916
  148   1HG   LYS  18          1HG       LYS  18   0.272  -2.100 -13.454
  149   2HG   LYS  18          2HG       LYS  18  -0.376  -3.739 -13.554
  150   1HD   LYS  18          1HD       LYS  18  -1.526  -2.847 -11.256
  151   2HD   LYS  18          2HD       LYS  18  -1.446  -1.359 -12.203
  152   1HE   LYS  18          1HE       LYS  18  -2.545  -3.928 -13.314
  153   2HE   LYS  18          2HE       LYS  18  -3.549  -2.770 -12.443
  154   1HZ   LYS  18          1HZ       LYS  18  -3.222  -1.155 -14.079
  155   2HZ   LYS  18          2HZ       LYS  18  -3.481  -2.579 -14.953
  156   3HZ   LYS  18          3HZ       LYS  18  -1.913  -1.971 -14.774
  157    H    ASN  19           H        ASN  19   3.486  -5.329 -12.282
  158    HA   ASN  19           HA       ASN  19   3.574  -5.418 -15.224
  159   1HB   ASN  19          1HB       ASN  19   5.407  -6.609 -13.142
  160   2HB   ASN  19          2HB       ASN  19   5.459  -7.082 -14.837
  161   1HD2  ASN  19          2HD2      ASN  19   6.262  -5.667 -16.355
  162   2HD2  ASN  19          1HD2      ASN  19   7.122  -4.231 -15.929
  163    H    GLU  20           H        GLU  20   1.210  -6.172 -14.117
  164    HA   GLU  20           HA       GLU  20   1.158  -9.017 -14.751
  165   1HB   GLU  20          1HB       GLU  20   1.363  -8.912 -12.297
  166   2HB   GLU  20          2HB       GLU  20  -0.069  -7.895 -12.226
  167   1HG   GLU  20          1HG       GLU  20  -0.480 -10.274 -11.666
  168   2HG   GLU  20          2HG       GLU  20  -1.460  -9.668 -13.000
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1   1.806   0.000   0.856
    2    HA   LYS   1           HA       LYS   1   2.091   1.004  -1.634
    3   1HB   LYS   1          1HB       LYS   1   3.532  -1.348  -0.409
    4   2HB   LYS   1          2HB       LYS   1   4.034  -0.597  -1.918
    5   1HG   LYS   1          1HG       LYS   1   3.800   0.863   0.704
    6   2HG   LYS   1          2HG       LYS   1   5.297   0.174   0.072
    7   1HD   LYS   1          1HD       LYS   1   4.903   1.583  -2.001
    8   2HD   LYS   1          2HD       LYS   1   3.648   2.413  -1.079
    9   1HE   LYS   1          1HE       LYS   1   6.349   2.125   0.138
   10   2HE   LYS   1          2HE       LYS   1   6.134   3.305  -1.155
   11   1HZ   LYS   1          1HZ       LYS   1   5.791   4.132   1.183
   12   2HZ   LYS   1          2HZ       LYS   1   4.369   3.216   1.221
   13   3HZ   LYS   1          3HZ       LYS   1   4.540   4.467   0.094
   14    H    ALA   2           H        ALA   2   0.950   0.624  -3.413
   15    HA   ALA   2           HA       ALA   2  -0.360  -1.861  -3.927
   16   1HB   ALA   2          1HB       ALA   2  -1.610  -0.445  -5.096
   17   2HB   ALA   2          2HB       ALA   2  -0.364   0.801  -5.033
   18   3HB   ALA   2          3HB       ALA   2  -0.330  -0.415  -6.310
   19    H    TRP   3           H        TRP   3   1.838  -0.157  -6.143
   20    HA   TRP   3           HA       TRP   3   3.275  -2.683  -6.575
   21   1HB   TRP   3          1HB       TRP   3   2.758  -0.918  -8.926
   22   2HB   TRP   3          2HB       TRP   3   3.007  -2.660  -8.864
   23    HD1  TRP   3           HD1      TRP   3   0.776  -3.886  -7.367
   24    HE1  TRP   3           HE1      TRP   3  -1.713  -3.542  -7.926
   25    HE3  TRP   3           HE3      TRP   3   1.131   0.486  -9.993
   26    HZ2  TRP   3           HZ2      TRP   3  -3.314  -1.666  -9.300
   27    HZ3  TRP   3           HZ3      TRP   3  -0.926   1.489 -10.896
   28    HH2  TRP   3           HH2      TRP   3  -3.101   0.434 -10.556
   29    H    THR   4           H        THR   4   4.935  -1.690  -8.637
   30    HA   THR   4           HA       THR   4   7.015  -0.547  -7.181
   31    HB   THR   4           HB       THR   4   6.678  -0.247 -10.166
   32    HG1  THR   4           HG1      THR   4   7.769  -2.320 -10.221
   33   1HG2  THR   4          1HG2      THR   4   9.045  -0.330  -8.306
   34   2HG2  THR   4          2HG2      THR   4   8.571   0.960  -9.411
   35   3HG2  THR   4          3HG2      THR   4   9.193  -0.562 -10.047
   36    H    TRP   5           H        TRP   5   7.996   1.551  -7.338
   37    HA   TRP   5           HA       TRP   5   6.087   3.697  -7.996
   38   1HB   TRP   5          1HB       TRP   5   6.244   3.529  -5.586
   39   2HB   TRP   5          2HB       TRP   5   8.003   3.548  -5.661
   40    HD1  TRP   5           HD1      TRP   5   9.152   5.857  -5.525
   41    HE1  TRP   5           HE1      TRP   5   8.330   8.296  -5.489
   42    HE3  TRP   5           HE3      TRP   5   4.222   5.068  -6.625
   43    HZ2  TRP   5           HZ2      TRP   5   5.912   9.699  -5.875
   44    HZ3  TRP   5           HZ3      TRP   5   2.721   7.012  -6.772
   45    HH2  TRP   5           HH2      TRP   5   3.550   9.279  -6.404
   46    H    THR   6           H        THR   6   7.019   4.018 -10.033
   47    HA   THR   6           HA       THR   6   9.728   5.183  -9.971
   48    HB   THR   6           HB       THR   6   9.581   3.005 -11.216
   49    HG1  THR   6           HG1      THR   6  10.636   3.948 -13.131
   50   1HG2  THR   6          1HG2      THR   6   7.284   4.183 -12.311
   51   2HG2  THR   6          2HG2      THR   6   8.015   2.642 -12.760
   52   3HG2  THR   6          3HG2      THR   6   8.459   4.113 -13.624
   53    H    TRP   7           H        TRP   7  10.090   6.646 -11.943
   54    HA   TRP   7           HA       TRP   7   8.162   8.737 -11.835
   55   1HB   TRP   7          1HB       TRP   7  10.388   9.448 -12.110
   56   2HB   TRP   7          2HB       TRP   7  10.686   8.302 -13.414
   57    HD1  TRP   7           HD1      TRP   7  10.930   9.513 -15.642
   58    HE1  TRP   7           HE1      TRP   7   9.873  11.577 -16.758
   59    HE3  TRP   7           HE3      TRP   7   7.792  10.956 -11.873
   60    HZ2  TRP   7           HZ2      TRP   7   7.962  13.555 -16.125
   61    HZ3  TRP   7           HZ3      TRP   7   6.383  12.945 -12.208
   62    HH2  TRP   7           HH2      TRP   7   6.468  14.217 -14.291
   63    H    ASN   8           H        ASN   8   6.533   9.239 -13.180
   64    HA   ASN   8           HA       ASN   8   6.230   7.616 -15.622
   65   1HB   ASN   8          1HB       ASN   8   4.602   7.343 -13.541
   66   2HB   ASN   8          2HB       ASN   8   3.833   8.756 -14.258
   67   1HD2  ASN   8          2HD2      ASN   8   2.254   8.315 -15.598
   68   2HD2  ASN   8          1HD2      ASN   8   2.096   6.888 -16.559
   69    HA   PRO   9           HA       PRO   9   6.507  11.928 -17.097
   70   1HB   PRO   9          1HB       PRO   9   7.486  11.243 -19.535
   71   2HB   PRO   9          2HB       PRO   9   8.507  11.408 -18.101
   72   1HG   PRO   9          1HG       PRO   9   7.385   8.931 -19.353
   73   2HG   PRO   9          2HG       PRO   9   9.012   9.221 -18.709
   74   1HD   PRO   9          1HD       PRO   9   7.112   7.880 -17.320
   75   2HD   PRO   9          2HD       PRO   9   8.345   8.883 -16.528
   76    H    ALA  10           H        ALA  10   4.789   9.146 -18.120
   77    HA   ALA  10           HA       ALA  10   3.536   9.934 -20.450
   78   1HB   ALA  10          1HB       ALA  10   2.515   7.987 -20.160
   79   2HB   ALA  10          2HB       ALA  10   3.198   7.892 -18.537
   80   3HB   ALA  10          3HB       ALA  10   1.616   8.630 -18.785
   81    H    THR  11           H        THR  11   2.762  10.803 -17.118
   82    HA   THR  11           HA       THR  11   0.796  12.742 -18.152
   83    HB   THR  11           HB       THR  11  -0.257  12.630 -15.872
   84    HG1  THR  11           HG1      THR  11   0.295  10.519 -14.799
   85   1HG2  THR  11          1HG2      THR  11  -0.222   9.977 -17.310
   86   2HG2  THR  11          2HG2      THR  11  -1.111  11.392 -17.876
   87   3HG2  THR  11          3HG2      THR  11  -1.525  10.649 -16.331
   88    H    GLY  12           H        GLY  12   3.484  12.167 -15.983
   89   1HA   GLY  12          1HA       GLY  12   5.054  14.013 -15.684
   90   2HA   GLY  12          2HA       GLY  12   3.667  15.085 -15.569
   91    H    LYS  13           H        LYS  13   2.956  12.260 -13.971
   92    HA   LYS  13           HA       LYS  13   4.016  13.254 -11.413
   93   1HB   LYS  13          1HB       LYS  13   1.871  12.685 -10.335
   94   2HB   LYS  13          2HB       LYS  13   1.692  13.951 -11.542
   95   1HG   LYS  13          1HG       LYS  13   0.910  12.220 -13.149
   96   2HG   LYS  13          2HG       LYS  13   0.944  11.050 -11.827
   97   1HD   LYS  13          1HD       LYS  13  -0.593  12.626 -10.574
   98   2HD   LYS  13          2HD       LYS  13  -0.779  13.505 -12.093
   99   1HE   LYS  13          1HE       LYS  13  -1.739  11.605 -13.162
  100   2HE   LYS  13          2HE       LYS  13  -1.324  10.557 -11.806
  101   1HZ   LYS  13          1HZ       LYS  13  -3.671  11.175 -11.810
  102   2HZ   LYS  13          2HZ       LYS  13  -3.256  12.810 -11.694
  103   3HZ   LYS  13          3HZ       LYS  13  -2.886  11.752 -10.427
  104    H    TRP  14           H        TRP  14   4.942  11.741 -10.176
  105    HA   TRP  14           HA       TRP  14   5.575   9.216 -11.081
  106   1HB   TRP  14          1HB       TRP  14   5.376  10.224  -8.237
  107   2HB   TRP  14          2HB       TRP  14   6.117   8.691  -8.687
  108    HD1  TRP  14           HD1      TRP  14   6.593  12.468  -9.444
  109    HE1  TRP  14           HE1      TRP  14   9.106  12.891  -9.802
  110    HE3  TRP  14           HE3      TRP  14   8.287   7.659  -9.063
  111    HZ2  TRP  14           HZ2      TRP  14  11.491  11.385  -9.909
  112    HZ3  TRP  14           HZ3      TRP  14  10.699   7.236  -9.306
  113    HH2  TRP  14           HH2      TRP  14  12.266   9.062  -9.721
  114    H    THR  15           H        THR  15   4.131   7.735 -11.698
  115    HA   THR  15           HA       THR  15   1.854   7.173  -9.913
  116    HB   THR  15           HB       THR  15   0.682   6.244 -11.834
  117    HG1  THR  15           HG1      THR  15   1.770   6.669 -13.955
  118   1HG2  THR  15          1HG2      THR  15   1.487   8.704 -13.153
  119   2HG2  THR  15          2HG2      THR  15   1.233   8.930 -11.422
  120   3HG2  THR  15          3HG2      THR  15  -0.059   8.269 -12.424
  121    H    TRP  16           H        TRP  16   1.200   4.944  -9.682
  122    HA   TRP  16           HA       TRP  16   3.445   3.206  -9.298
  123   1HB   TRP  16          1HB       TRP  16   0.515   2.504  -9.058
  124   2HB   TRP  16          2HB       TRP  16   1.878   1.674  -8.311
  125    HD1  TRP  16           HD1      TRP  16  -0.392   4.691  -7.880
  126    HE1  TRP  16           HE1      TRP  16   0.036   5.738  -5.567
  127    HE3  TRP  16           HE3      TRP  16   3.744   2.008  -6.526
  128    HZ2  TRP  16           HZ2      TRP  16   1.883   5.463  -3.450
  129    HZ3  TRP  16           HZ3      TRP  16   4.781   2.461  -4.341
  130    HH2  TRP  16           HH2      TRP  16   3.868   4.154  -2.837
  131    H    ARG  17           H        ARG  17   3.963   1.325 -10.370
  132    HA   ARG  17           HA       ARG  17   2.514   0.829 -12.888
  133   1HB   ARG  17          1HB       ARG  17   5.440   0.242 -12.566
  134   2HB   ARG  17          2HB       ARG  17   4.515   0.470 -14.044
  135   1HG   ARG  17          1HG       ARG  17   5.171   2.640 -12.062
  136   2HG   ARG  17          2HG       ARG  17   6.033   2.341 -13.573
  137   1HD   ARG  17          1HD       ARG  17   3.199   3.264 -13.189
  138   2HD   ARG  17          2HD       ARG  17   4.513   4.088 -14.027
  139    HE   ARG  17           HE       ARG  17   4.213   1.802 -15.441
  140   1HH1  ARG  17          1HH1      ARG  17   2.006   4.288 -14.410
  141   2HH1  ARG  17          2HH1      ARG  17   0.949   4.096 -15.769
  142   1HH2  ARG  17          1HH2      ARG  17   2.829   1.539 -17.236
  143   2HH2  ARG  17          2HH2      ARG  17   1.418   2.531 -17.375
  144    H    LYS  18           H        LYS  18   1.959  -1.233 -13.345
  145    HA   LYS  18           HA       LYS  18   2.886  -3.326 -11.487
  146   1HB   LYS  18          1HB       LYS  18   0.666  -4.396 -11.773
  147   2HB   LYS  18          2HB       LYS  18   0.573  -2.815 -11.007
  148   1HG   LYS  18          1HG       LYS  18   0.231  -2.099 -13.572
  149   2HG   LYS  18          2HG       LYS  18  -0.456  -3.725 -13.612
  150   1HD   LYS  18          1HD       LYS  18  -1.602  -2.807 -11.364
  151   2HD   LYS  18          2HD       LYS  18  -1.415  -1.286 -12.241
  152   1HE   LYS  18          1HE       LYS  18  -3.581  -2.265 -12.714
  153   2HE   LYS  18          2HE       LYS  18  -2.580  -2.273 -14.166
  154   1HZ   LYS  18          1HZ       LYS  18  -2.692  -4.474 -14.279
  155   2HZ   LYS  18          2HZ       LYS  18  -3.892  -4.417 -13.088
  156   3HZ   LYS  18          3HZ       LYS  18  -2.277  -4.671 -12.651
  157    H    ASN  19           H        ASN  19   3.463  -5.283 -12.336
  158    HA   ASN  19           HA       ASN  19   3.508  -5.448 -15.276
  159   1HB   ASN  19          1HB       ASN  19   5.415  -7.130 -14.792
  160   2HB   ASN  19          2HB       ASN  19   5.750  -5.412 -14.599
  161   1HD2  ASN  19          2HD2      ASN  19   6.193  -4.600 -12.601
  162   2HD2  ASN  19          1HD2      ASN  19   6.406  -5.585 -11.198
  163    H    GLU  20           H        GLU  20   1.464  -6.369 -13.203
  164    HA   GLU  20           HA       GLU  20   1.485  -9.250 -13.741
  165   1HB   GLU  20          1HB       GLU  20   1.117  -8.270 -11.399
  166   2HB   GLU  20          2HB       GLU  20  -0.472  -7.791 -11.978
  167   1HG   GLU  20          1HG       GLU  20  -0.542  -9.897 -10.749
  168   2HG   GLU  20          2HG       GLU  20  -1.041 -10.098 -12.428
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1   0.956   0.306   0.764
    2    HA   LYS   1           HA       LYS   1   2.169   1.051  -1.728
    3   1HB   LYS   1          1HB       LYS   1   3.203  -0.075   0.428
    4   2HB   LYS   1          2HB       LYS   1   2.746  -1.561  -0.395
    5   1HG   LYS   1          1HG       LYS   1   4.269   0.473  -1.930
    6   2HG   LYS   1          2HG       LYS   1   5.125  -0.470  -0.708
    7   1HD   LYS   1          1HD       LYS   1   3.370  -1.921  -2.620
    8   2HD   LYS   1          2HD       LYS   1   4.910  -1.298  -3.216
    9   1HE   LYS   1          1HE       LYS   1   5.515  -3.401  -2.500
   10   2HE   LYS   1          2HE       LYS   1   5.870  -2.432  -1.070
   11   1HZ   LYS   1          1HZ       LYS   1   4.469  -4.642  -0.939
   12   2HZ   LYS   1          2HZ       LYS   1   3.195  -3.587  -1.292
   13   3HZ   LYS   1          3HZ       LYS   1   4.150  -3.329   0.080
   14    H    ALA   2           H        ALA   2   1.530   0.436  -3.677
   15    HA   ALA   2           HA       ALA   2  -0.186  -1.941  -3.916
   16   1HB   ALA   2          1HB       ALA   2  -0.344   0.694  -5.029
   17   2HB   ALA   2          2HB       ALA   2  -0.247  -0.499  -6.325
   18   3HB   ALA   2          3HB       ALA   2  -1.516  -0.623  -5.106
   19    H    TRP   3           H        TRP   3   1.908  -0.224  -6.224
   20    HA   TRP   3           HA       TRP   3   3.342  -2.746  -6.702
   21   1HB   TRP   3          1HB       TRP   3   2.778  -0.947  -9.017
   22   2HB   TRP   3          2HB       TRP   3   3.033  -2.689  -8.986
   23    HD1  TRP   3           HD1      TRP   3   0.832  -3.922  -7.426
   24    HE1  TRP   3           HE1      TRP   3  -1.667  -3.585  -7.943
   25    HE3  TRP   3           HE3      TRP   3   1.132   0.438 -10.078
   26    HZ2  TRP   3           HZ2      TRP   3  -3.295  -1.719  -9.296
   27    HZ3  TRP   3           HZ3      TRP   3  -0.943   1.434 -10.949
   28    HH2  TRP   3           HH2      TRP   3  -3.110   0.376 -10.566
   29    H    THR   4           H        THR   4   4.963  -1.732  -8.785
   30    HA   THR   4           HA       THR   4   7.079  -0.620  -7.360
   31    HB   THR   4           HB       THR   4   6.663  -0.286 -10.332
   32    HG1  THR   4           HG1      THR   4   7.751  -2.343 -10.450
   33   1HG2  THR   4          1HG2      THR   4   8.998  -0.146  -8.477
   34   2HG2  THR   4          2HG2      THR   4   8.584   0.890  -9.843
   35   3HG2  THR   4          3HG2      THR   4   9.247  -0.719 -10.125
   36    H    TRP   5           H        TRP   5   8.052   1.473  -7.465
   37    HA   TRP   5           HA       TRP   5   6.149   3.641  -8.069
   38   1HB   TRP   5          1HB       TRP   5   6.326   3.419  -5.663
   39   2HB   TRP   5          2HB       TRP   5   8.085   3.442  -5.755
   40    HD1  TRP   5           HD1      TRP   5   9.227   5.748  -5.561
   41    HE1  TRP   5           HE1      TRP   5   8.403   8.185  -5.478
   42    HE3  TRP   5           HE3      TRP   5   4.299   4.978  -6.684
   43    HZ2  TRP   5           HZ2      TRP   5   5.984   9.595  -5.839
   44    HZ3  TRP   5           HZ3      TRP   5   2.797   6.924  -6.795
   45    HH2  TRP   5           HH2      TRP   5   3.624   9.184  -6.381
   46    H    THR   6           H        THR   6   7.050   4.038 -10.096
   47    HA   THR   6           HA       THR   6   9.766   5.182 -10.034
   48    HB   THR   6           HB       THR   6   9.608   3.024 -11.317
   49    HG1  THR   6           HG1      THR   6  11.127   3.821 -12.575
   50   1HG2  THR   6          1HG2      THR   6   8.047   2.697 -12.876
   51   2HG2  THR   6          2HG2      THR   6   8.481   4.196 -13.698
   52   3HG2  THR   6          3HG2      THR   6   7.311   4.220 -12.379
   53    H    TRP   7           H        TRP   7  10.117   6.681 -11.981
   54    HA   TRP   7           HA       TRP   7   8.188   8.767 -11.826
   55   1HB   TRP   7          1HB       TRP   7  10.415   9.482 -12.099
   56   2HB   TRP   7          2HB       TRP   7  10.703   8.365 -13.429
   57    HD1  TRP   7           HD1      TRP   7  10.958   9.645 -15.617
   58    HE1  TRP   7           HE1      TRP   7   9.882  11.725 -16.687
   59    HE3  TRP   7           HE3      TRP   7   7.783  10.954 -11.830
   60    HZ2  TRP   7           HZ2      TRP   7   7.945  13.664 -16.013
   61    HZ3  TRP   7           HZ3      TRP   7   6.353  12.935 -12.122
   62    HH2  TRP   7           HH2      TRP   7   6.434  14.261 -14.171
   63    H    ASN   8           H        ASN   8   6.529   9.259 -13.130
   64    HA   ASN   8           HA       ASN   8   6.220   7.686 -15.603
   65   1HB   ASN   8          1HB       ASN   8   4.607   7.348 -13.544
   66   2HB   ASN   8          2HB       ASN   8   3.852   8.814 -14.164
   67   1HD2  ASN   8          2HD2      ASN   8   2.140   8.360 -15.324
   68   2HD2  ASN   8          1HD2      ASN   8   1.971   7.040 -16.426
   69    HA   PRO   9           HA       PRO   9   6.498  12.024 -17.010
   70   1HB   PRO   9          1HB       PRO   9   7.499  11.379 -19.451
   71   2HB   PRO   9          2HB       PRO   9   8.508  11.529 -18.008
   72   1HG   PRO   9          1HG       PRO   9   7.409   9.064 -19.303
   73   2HG   PRO   9          2HG       PRO   9   9.029   9.353 -18.643
   74   1HD   PRO   9          1HD       PRO   9   7.127   7.983 -17.287
   75   2HD   PRO   9          2HD       PRO   9   8.349   8.981 -16.472
   76    H    ALA  10           H        ALA  10   4.832   9.234 -18.127
   77    HA   ALA  10           HA       ALA  10   3.581  10.073 -20.438
   78   1HB   ALA  10          1HB       ALA  10   2.008   8.580 -18.386
   79   2HB   ALA  10          2HB       ALA  10   2.085   8.348 -20.133
   80   3HB   ALA  10          3HB       ALA  10   3.430   7.833 -19.115
   81    H    THR  11           H        THR  11   2.817  10.877 -17.096
   82    HA   THR  11           HA       THR  11   0.799  12.786 -18.085
   83    HB   THR  11           HB       THR  11  -0.207  12.614 -15.765
   84    HG1  THR  11           HG1      THR  11   0.326  10.598 -14.685
   85   1HG2  THR  11          1HG2      THR  11  -1.643  10.938 -16.422
   86   2HG2  THR  11          2HG2      THR  11  -0.345   9.930 -17.063
   87   3HG2  THR  11          3HG2      THR  11  -0.889  11.345 -17.963
   88    H    GLY  12           H        GLY  12   3.476  12.214 -15.889
   89   1HA   GLY  12          1HA       GLY  12   5.026  14.083 -15.572
   90   2HA   GLY  12          2HA       GLY  12   3.621  15.131 -15.444
   91    H    LYS  13           H        LYS  13   2.941  12.276 -13.892
   92    HA   LYS  13           HA       LYS  13   3.988  13.239 -11.317
   93   1HB   LYS  13          1HB       LYS  13   1.858  12.677 -10.242
   94   2HB   LYS  13          2HB       LYS  13   1.642  13.909 -11.479
   95   1HG   LYS  13          1HG       LYS  13   0.861  12.156 -13.035
   96   2HG   LYS  13          2HG       LYS  13   0.987  10.980 -11.724
   97   1HD   LYS  13          1HD       LYS  13  -1.272  11.613 -11.743
   98   2HD   LYS  13          2HD       LYS  13  -0.562  12.536 -10.416
   99   1HE   LYS  13          1HE       LYS  13  -0.347  14.478 -11.910
  100   2HE   LYS  13          2HE       LYS  13  -1.101  13.551 -13.206
  101   1HZ   LYS  13          1HZ       LYS  13  -2.522  13.810 -10.654
  102   2HZ   LYS  13          2HZ       LYS  13  -3.142  13.655 -12.220
  103   3HZ   LYS  13          3HZ       LYS  13  -2.506  15.136 -11.705
  104    H    TRP  14           H        TRP  14   4.934  11.716 -10.111
  105    HA   TRP  14           HA       TRP  14   5.582   9.209 -11.054
  106   1HB   TRP  14          1HB       TRP  14   5.390  10.178  -8.197
  107   2HB   TRP  14          2HB       TRP  14   6.135   8.653  -8.669
  108    HD1  TRP  14           HD1      TRP  14   6.591  12.440  -9.387
  109    HE1  TRP  14           HE1      TRP  14   9.102  12.878  -9.747
  110    HE3  TRP  14           HE3      TRP  14   8.309   7.636  -9.057
  111    HZ2  TRP  14           HZ2      TRP  14  11.494  11.385  -9.876
  112    HZ3  TRP  14           HZ3      TRP  14  10.721   7.227  -9.310
  113    HH2  TRP  14           HH2      TRP  14  12.279   9.063  -9.712
  114    H    THR  15           H        THR  15   4.134   7.739 -11.697
  115    HA   THR  15           HA       THR  15   1.861   7.144  -9.921
  116    HB   THR  15           HB       THR  15   0.714   6.205 -11.849
  117    HG1  THR  15           HG1      THR  15   1.715   6.374 -13.927
  118   1HG2  THR  15          1HG2      THR  15   1.186   8.877 -11.421
  119   2HG2  THR  15          2HG2      THR  15  -0.015   8.216 -12.531
  120   3HG2  THR  15          3HG2      THR  15   1.575   8.686 -13.130
  121    H    TRP  16           H        TRP  16   1.173   4.868  -9.835
  122    HA   TRP  16           HA       TRP  16   3.455   3.157  -9.399
  123   1HB   TRP  16          1HB       TRP  16   0.528   2.456  -9.121
  124   2HB   TRP  16          2HB       TRP  16   1.898   1.619  -8.397
  125    HD1  TRP  16           HD1      TRP  16  -0.342   4.657  -7.930
  126    HE1  TRP  16           HE1      TRP  16   0.119   5.688  -5.617
  127    HE3  TRP  16           HE3      TRP  16   3.775   1.920  -6.627
  128    HZ2  TRP  16           HZ2      TRP  16   1.981   5.382  -3.518
  129    HZ3  TRP  16           HZ3      TRP  16   4.837   2.351  -4.449
  130    HH2  TRP  16           HH2      TRP  16   3.957   4.047  -2.929
  131    H    ARG  17           H        ARG  17   3.971   1.284 -10.481
  132    HA   ARG  17           HA       ARG  17   2.493   0.783 -12.981
  133   1HB   ARG  17          1HB       ARG  17   5.418   0.183 -12.697
  134   2HB   ARG  17          2HB       ARG  17   4.477   0.438 -14.160
  135   1HG   ARG  17          1HG       ARG  17   5.186   2.572 -12.158
  136   2HG   ARG  17          2HG       ARG  17   6.011   2.291 -13.692
  137   1HD   ARG  17          1HD       ARG  17   3.192   3.227 -13.232
  138   2HD   ARG  17          2HD       ARG  17   4.495   4.061 -14.078
  139    HE   ARG  17           HE       ARG  17   4.172   1.830 -15.550
  140   1HH1  ARG  17          1HH1      ARG  17   1.934   4.216 -14.361
  141   2HH1  ARG  17          2HH1      ARG  17   0.834   4.036 -15.687
  142   1HH2  ARG  17          1HH2      ARG  17   2.732   1.583 -17.302
  143   2HH2  ARG  17          2HH2      ARG  17   1.288   2.537 -17.359
  144    H    LYS  18           H        LYS  18   1.924  -1.277 -13.424
  145    HA   LYS  18           HA       LYS  18   2.876  -3.371 -11.581
  146   1HB   LYS  18          1HB       LYS  18   0.648  -4.439 -11.842
  147   2HB   LYS  18          2HB       LYS  18   0.575  -2.866 -11.059
  148   1HG   LYS  18          1HG       LYS  18   0.177  -2.095 -13.584
  149   2HG   LYS  18          2HG       LYS  18  -0.472  -3.734 -13.680
  150   1HD   LYS  18          1HD       LYS  18  -1.585  -2.860 -11.361
  151   2HD   LYS  18          2HD       LYS  18  -1.515  -1.362 -12.292
  152   1HE   LYS  18          1HE       LYS  18  -2.460  -3.069 -14.163
  153   2HE   LYS  18          2HE       LYS  18  -3.144  -3.782 -12.703
  154   1HZ   LYS  18          1HZ       LYS  18  -3.441  -0.935 -13.496
  155   2HZ   LYS  18          2HZ       LYS  18  -4.163  -1.686 -12.164
  156   3HZ   LYS  18          3HZ       LYS  18  -4.614  -2.131 -13.732
  157    H    ASN  19           H        ASN  19   3.321  -5.389 -12.431
  158    HA   ASN  19           HA       ASN  19   3.562  -5.467 -15.356
  159   1HB   ASN  19          1HB       ASN  19   4.955  -7.144 -13.256
  160   2HB   ASN  19          2HB       ASN  19   5.242  -7.229 -14.991
  161   1HD2  ASN  19          2HD2      ASN  19   6.201  -5.848 -12.115
  162   2HD2  ASN  19          1HD2      ASN  19   7.187  -4.577 -12.746
  163    H    GLU  20           H        GLU  20   2.396  -7.308 -12.580
  164    HA   GLU  20           HA       GLU  20   1.294  -9.368 -14.321
  165   1HB   GLU  20          1HB       GLU  20   2.437  -9.726 -12.004
  166   2HB   GLU  20          2HB       GLU  20   0.872  -9.257 -11.354
  167   1HG   GLU  20          1HG       GLU  20  -0.097 -11.074 -12.865
  168   2HG   GLU  20          2HG       GLU  20   1.564 -11.641 -13.028
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1   1.494   1.606  -0.199
    2    HA   LYS   1           HA       LYS   1   3.112   0.389  -1.723
    3   1HB   LYS   1          1HB       LYS   1   3.101  -1.738  -0.330
    4   2HB   LYS   1          2HB       LYS   1   3.269  -0.226   0.554
    5   1HG   LYS   1          1HG       LYS   1   1.069  -0.323   1.358
    6   2HG   LYS   1          2HG       LYS   1   0.606  -1.559   0.186
    7   1HD   LYS   1          1HD       LYS   1   2.183  -3.124   1.303
    8   2HD   LYS   1          2HD       LYS   1   2.480  -1.889   2.529
    9   1HE   LYS   1          1HE       LYS   1   0.066  -1.900   3.065
   10   2HE   LYS   1          2HE       LYS   1  -0.162  -3.204   1.901
   11   1HZ   LYS   1          1HZ       LYS   1   1.914  -3.874   3.688
   12   2HZ   LYS   1          2HZ       LYS   1   0.443  -4.667   3.428
   13   3HZ   LYS   1          3HZ       LYS   1   0.544  -3.426   4.574
   14    H    ALA   2           H        ALA   2   0.915   0.559  -3.387
   15    HA   ALA   2           HA       ALA   2  -0.302  -1.944  -3.923
   16   1HB   ALA   2          1HB       ALA   2  -0.326  -0.522  -6.310
   17   2HB   ALA   2          2HB       ALA   2  -1.580  -0.529  -5.069
   18   3HB   ALA   2          3HB       ALA   2  -0.331   0.716  -5.053
   19    H    TRP   3           H        TRP   3   1.853  -0.218  -6.162
   20    HA   TRP   3           HA       TRP   3   3.311  -2.731  -6.607
   21   1HB   TRP   3          1HB       TRP   3   2.776  -0.950  -8.942
   22   2HB   TRP   3          2HB       TRP   3   3.040  -2.691  -8.896
   23    HD1  TRP   3           HD1      TRP   3   0.818  -3.924  -7.366
   24    HE1  TRP   3           HE1      TRP   3  -1.673  -3.606  -7.930
   25    HE3  TRP   3           HE3      TRP   3   1.142   0.418 -10.045
   26    HZ2  TRP   3           HZ2      TRP   3  -3.287  -1.759  -9.327
   27    HZ3  TRP   3           HZ3      TRP   3  -0.922   1.394 -10.962
   28    HH2  TRP   3           HH2      TRP   3  -3.089   0.327 -10.610
   29    H    THR   4           H        THR   4   4.957  -1.708  -8.670
   30    HA   THR   4           HA       THR   4   7.037  -0.569  -7.210
   31    HB   THR   4           HB       THR   4   6.688  -0.244 -10.191
   32    HG1  THR   4           HG1      THR   4   6.445  -2.404  -9.900
   33   1HG2  THR   4          1HG2      THR   4   8.642   0.838  -9.821
   34   2HG2  THR   4          2HG2      THR   4   9.296  -0.799  -9.765
   35   3HG2  THR   4          3HG2      THR   4   8.907   0.047  -8.268
   36    H    TRP   5           H        TRP   5   8.007   1.536  -7.353
   37    HA   TRP   5           HA       TRP   5   6.088   3.678  -7.993
   38   1HB   TRP   5          1HB       TRP   5   6.237   3.483  -5.582
   39   2HB   TRP   5          2HB       TRP   5   7.997   3.522  -5.652
   40    HD1  TRP   5           HD1      TRP   5   9.116   5.842  -5.477
   41    HE1  TRP   5           HE1      TRP   5   8.267   8.271  -5.427
   42    HE3  TRP   5           HE3      TRP   5   4.206   5.011  -6.633
   43    HZ2  TRP   5           HZ2      TRP   5   5.838   9.652  -5.823
   44    HZ3  TRP   5           HZ3      TRP   5   2.685   6.940  -6.778
   45    HH2  TRP   5           HH2      TRP   5   3.486   9.212  -6.380
   46    H    THR   6           H        THR   6   7.021   4.039 -10.018
   47    HA   THR   6           HA       THR   6   9.725   5.212  -9.933
   48    HB   THR   6           HB       THR   6   9.592   3.042 -11.199
   49    HG1  THR   6           HG1      THR   6  10.187   5.109 -13.022
   50   1HG2  THR   6          1HG2      THR   6   7.301   4.216 -12.298
   51   2HG2  THR   6          2HG2      THR   6   8.053   2.695 -12.777
   52   3HG2  THR   6          3HG2      THR   6   8.487   4.192 -13.602
   53    H    TRP   7           H        TRP   7  10.091   6.701 -11.881
   54    HA   TRP   7           HA       TRP   7   8.144   8.773 -11.769
   55   1HB   TRP   7          1HB       TRP   7  10.367   9.506 -12.013
   56   2HB   TRP   7          2HB       TRP   7  10.687   8.379 -13.329
   57    HD1  TRP   7           HD1      TRP   7  10.967   9.642 -15.524
   58    HE1  TRP   7           HE1      TRP   7   9.892  11.703 -16.630
   59    HE3  TRP   7           HE3      TRP   7   7.720  10.958 -11.802
   60    HZ2  TRP   7           HZ2      TRP   7   7.928  13.632 -16.006
   61    HZ3  TRP   7           HZ3      TRP   7   6.278  12.925 -12.135
   62    HH2  TRP   7           HH2      TRP   7   6.382  14.233 -14.193
   63    H    ASN   8           H        ASN   8   6.489   9.223 -13.088
   64    HA   ASN   8           HA       ASN   8   6.231   7.635 -15.557
   65   1HB   ASN   8          1HB       ASN   8   4.590   7.307 -13.521
   66   2HB   ASN   8          2HB       ASN   8   3.837   8.765 -14.162
   67   1HD2  ASN   8          2HD2      ASN   8   2.169   8.327 -15.389
   68   2HD2  ASN   8          1HD2      ASN   8   2.012   6.984 -16.465
   69    HA   PRO   9           HA       PRO   9   6.508  11.961 -17.002
   70   1HB   PRO   9          1HB       PRO   9   7.550  11.298 -19.420
   71   2HB   PRO   9          2HB       PRO   9   8.536  11.468 -17.963
   72   1HG   PRO   9          1HG       PRO   9   7.471   8.984 -19.251
   73   2HG   PRO   9          2HG       PRO   9   9.079   9.290 -18.568
   74   1HD   PRO   9          1HD       PRO   9   7.165   7.922 -17.229
   75   2HD   PRO   9          2HD       PRO   9   8.367   8.935 -16.405
   76    H    ALA  10           H        ALA  10   4.873   9.151 -18.115
   77    HA   ALA  10           HA       ALA  10   3.655   9.961 -20.454
   78   1HB   ALA  10          1HB       ALA  10   1.993   8.500 -18.471
   79   2HB   ALA  10          2HB       ALA  10   2.241   8.189 -20.189
   80   3HB   ALA  10          3HB       ALA  10   3.488   7.745 -19.024
   81    H    THR  11           H        THR  11   2.827  10.782 -17.131
   82    HA   THR  11           HA       THR  11   0.812  12.670 -18.167
   83    HB   THR  11           HB       THR  11  -0.283  12.507 -15.924
   84    HG1  THR  11           HG1      THR  11   0.316  10.681 -14.638
   85   1HG2  THR  11          1HG2      THR  11  -0.053  10.014 -17.606
   86   2HG2  THR  11          2HG2      THR  11  -1.274  11.282 -17.716
   87   3HG2  THR  11          3HG2      THR  11  -1.238  10.211 -16.316
   88    H    GLY  12           H        GLY  12   3.469  12.140 -15.939
   89   1HA   GLY  12          1HA       GLY  12   4.998  14.022 -15.612
   90   2HA   GLY  12          2HA       GLY  12   3.584  15.062 -15.516
   91    H    LYS  13           H        LYS  13   2.902  12.217 -13.945
   92    HA   LYS  13           HA       LYS  13   3.901  13.214 -11.364
   93   1HB   LYS  13          1HB       LYS  13   1.754  12.624 -10.321
   94   2HB   LYS  13          2HB       LYS  13   1.561  13.868 -11.548
   95   1HG   LYS  13          1HG       LYS  13   0.846  12.090 -13.140
   96   2HG   LYS  13          2HG       LYS  13   0.881  10.948 -11.794
   97   1HD   LYS  13          1HD       LYS  13  -0.728  12.451 -10.596
   98   2HD   LYS  13          2HD       LYS  13  -0.861  13.392 -12.084
   99   1HE   LYS  13          1HE       LYS  13  -1.287  10.447 -12.207
  100   2HE   LYS  13          2HE       LYS  13  -2.561  11.456 -11.524
  101   1HZ   LYS  13          1HZ       LYS  13  -1.346  11.965 -14.179
  102   2HZ   LYS  13          2HZ       LYS  13  -2.751  12.653 -13.536
  103   3HZ   LYS  13          3HZ       LYS  13  -2.731  11.017 -13.965
  104    H    TRP  14           H        TRP  14   4.846  11.712 -10.132
  105    HA   TRP  14           HA       TRP  14   5.524   9.200 -11.039
  106   1HB   TRP  14          1HB       TRP  14   5.288  10.196  -8.195
  107   2HB   TRP  14          2HB       TRP  14   6.054   8.675  -8.643
  108    HD1  TRP  14           HD1      TRP  14   6.483  12.460  -9.385
  109    HE1  TRP  14           HE1      TRP  14   8.993  12.919  -9.722
  110    HE3  TRP  14           HE3      TRP  14   8.241   7.675  -9.005
  111    HZ2  TRP  14           HZ2      TRP  14  11.400  11.447  -9.815
  112    HZ3  TRP  14           HZ3      TRP  14  10.660   7.286  -9.230
  113    HH2  TRP  14           HH2      TRP  14  12.205   9.134  -9.627
  114    H    THR  15           H        THR  15   4.094   7.713 -11.685
  115    HA   THR  15           HA       THR  15   1.812   7.112  -9.922
  116    HB   THR  15           HB       THR  15   0.681   6.160 -11.855
  117    HG1  THR  15           HG1      THR  15   1.724   6.449 -13.949
  118   1HG2  THR  15          1HG2      THR  15   1.360   8.569 -13.248
  119   2HG2  THR  15          2HG2      THR  15   1.311   8.889 -11.514
  120   3HG2  THR  15          3HG2      THR  15  -0.094   8.194 -12.324
  121    H    TRP  16           H        TRP  16   1.164   4.855  -9.757
  122    HA   TRP  16           HA       TRP  16   3.440   3.156  -9.321
  123   1HB   TRP  16          1HB       TRP  16   0.516   2.424  -9.097
  124   2HB   TRP  16          2HB       TRP  16   1.882   1.603  -8.346
  125    HD1  TRP  16           HD1      TRP  16  -0.413   4.601  -7.916
  126    HE1  TRP  16           HE1      TRP  16  -0.001   5.646  -5.600
  127    HE3  TRP  16           HE3      TRP  16   3.740   1.948  -6.555
  128    HZ2  TRP  16           HZ2      TRP  16   1.840   5.381  -3.477
  129    HZ3  TRP  16           HZ3      TRP  16   4.766   2.404  -4.365
  130    HH2  TRP  16           HH2      TRP  16   3.834   4.086  -2.860
  131    H    ARG  17           H        ARG  17   3.976   1.264 -10.375
  132    HA   ARG  17           HA       ARG  17   2.558   0.754 -12.908
  133   1HB   ARG  17          1HB       ARG  17   5.488   0.199 -12.548
  134   2HB   ARG  17          2HB       ARG  17   4.577   0.396 -14.040
  135   1HG   ARG  17          1HG       ARG  17   5.174   2.600 -12.078
  136   2HG   ARG  17          2HG       ARG  17   6.068   2.291 -13.568
  137   1HD   ARG  17          1HD       ARG  17   3.210   3.172 -13.255
  138   2HD   ARG  17          2HD       ARG  17   4.529   4.015 -14.066
  139    HE   ARG  17           HE       ARG  17   4.311   1.718 -15.473
  140   1HH1  ARG  17          1HH1      ARG  17   2.021   4.155 -14.506
  141   2HH1  ARG  17          2HH1      ARG  17   1.000   3.930 -15.887
  142   1HH2  ARG  17          1HH2      ARG  17   2.975   1.412 -17.296
  143   2HH2  ARG  17          2HH2      ARG  17   1.543   2.369 -17.473
  144    H    LYS  18           H        LYS  18   2.004  -1.308 -13.349
  145    HA   LYS  18           HA       LYS  18   2.939  -3.392 -11.485
  146   1HB   LYS  18          1HB       LYS  18   0.724  -4.476 -11.784
  147   2HB   LYS  18          2HB       LYS  18   0.624  -2.900 -11.010
  148   1HG   LYS  18          1HG       LYS  18   0.272  -2.149 -13.550
  149   2HG   LYS  18          2HG       LYS  18  -0.370  -3.790 -13.643
  150   1HD   LYS  18          1HD       LYS  18  -1.529  -2.903 -11.353
  151   2HD   LYS  18          2HD       LYS  18  -1.444  -1.410 -12.291
  152   1HE   LYS  18          1HE       LYS  18  -3.532  -2.402 -12.798
  153   2HE   LYS  18          2HE       LYS  18  -2.495  -2.687 -14.195
  154   1HZ   LYS  18          1HZ       LYS  18  -3.881  -4.621 -13.317
  155   2HZ   LYS  18          2HZ       LYS  18  -2.760  -4.703 -12.053
  156   3HZ   LYS  18          3HZ       LYS  18  -2.250  -4.919 -13.652
  157    H    ASN  19           H        ASN  19   3.476  -5.377 -12.323
  158    HA   ASN  19           HA       ASN  19   3.900  -5.442 -15.208
  159   1HB   ASN  19          1HB       ASN  19   5.673  -6.029 -13.411
  160   2HB   ASN  19          2HB       ASN  19   4.816  -7.562 -13.282
  161   1HD2  ASN  19          2HD2      ASN  19   7.491  -7.260 -14.103
  162   2HD2  ASN  19          1HD2      ASN  19   7.609  -7.793 -15.743
  163    H    GLU  20           H        GLU  20   1.998  -6.971 -12.729
  164    HA   GLU  20           HA       GLU  20   0.920  -8.863 -14.708
  165   1HB   GLU  20          1HB       GLU  20   0.142 -10.200 -12.839
  166   2HB   GLU  20          2HB       GLU  20   1.862  -9.881 -12.667
  167   1HG   GLU  20          1HG       GLU  20   1.123  -9.519 -10.534
  168   2HG   GLU  20          2HG       GLU  20   1.064  -7.887 -11.197
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1   1.350  -1.074   0.394
    2    HA   LYS   1           HA       LYS   1   1.623   1.171  -1.378
    3   1HB   LYS   1          1HB       LYS   1   3.747   0.210  -2.420
    4   2HB   LYS   1          2HB       LYS   1   3.927   1.075  -0.899
    5   1HG   LYS   1          1HG       LYS   1   4.005  -1.053   0.301
    6   2HG   LYS   1          2HG       LYS   1   3.831  -1.918  -1.228
    7   1HD   LYS   1          1HD       LYS   1   5.953  -1.308  -1.958
    8   2HD   LYS   1          2HD       LYS   1   6.051   0.056  -0.842
    9   1HE   LYS   1          1HE       LYS   1   7.513  -1.692  -0.072
   10   2HE   LYS   1          2HE       LYS   1   6.151  -1.553   1.040
   11   1HZ   LYS   1          1HZ       LYS   1   5.228  -3.520   0.284
   12   2HZ   LYS   1          2HZ       LYS   1   6.882  -3.873   0.285
   13   3HZ   LYS   1          3HZ       LYS   1   6.096  -3.507  -1.168
   14    H    ALA   2           H        ALA   2   1.082   0.672  -3.488
   15    HA   ALA   2           HA       ALA   2  -0.286  -1.844  -3.851
   16   1HB   ALA   2          1HB       ALA   2  -1.585  -0.483  -5.034
   17   2HB   ALA   2          2HB       ALA   2  -0.354   0.781  -5.057
   18   3HB   ALA   2          3HB       ALA   2  -0.335  -0.492  -6.278
   19    H    TRP   3           H        TRP   3   1.855  -0.151  -6.131
   20    HA   TRP   3           HA       TRP   3   3.329  -2.665  -6.520
   21   1HB   TRP   3          1HB       TRP   3   2.797  -0.927  -8.888
   22   2HB   TRP   3          2HB       TRP   3   3.072  -2.665  -8.811
   23    HD1  TRP   3           HD1      TRP   3   0.851  -3.893  -7.282
   24    HE1  TRP   3           HE1      TRP   3  -1.640  -3.596  -7.860
   25    HE3  TRP   3           HE3      TRP   3   1.158   0.422 -10.006
   26    HZ2  TRP   3           HZ2      TRP   3  -3.260  -1.774  -9.283
   27    HZ3  TRP   3           HZ3      TRP   3  -0.908   1.376 -10.941
   28    HH2  TRP   3           HH2      TRP   3  -3.070   0.299 -10.586
   29    H    THR   4           H        THR   4   4.985  -1.678  -8.588
   30    HA   THR   4           HA       THR   4   7.055  -0.509  -7.143
   31    HB   THR   4           HB       THR   4   6.702  -0.232 -10.129
   32    HG1  THR   4           HG1      THR   4   6.576  -2.372  -9.946
   33   1HG2  THR   4          1HG2      THR   4   8.981  -0.015  -8.220
   34   2HG2  THR   4          2HG2      THR   4   8.608   0.954  -9.646
   35   3HG2  THR   4          3HG2      THR   4   9.289  -0.662  -9.831
   36    H    TRP   5           H        TRP   5   8.008   1.595  -7.280
   37    HA   TRP   5           HA       TRP   5   6.089   3.725  -7.962
   38   1HB   TRP   5          1HB       TRP   5   6.221   3.555  -5.549
   39   2HB   TRP   5          2HB       TRP   5   7.981   3.597  -5.606
   40    HD1  TRP   5           HD1      TRP   5   9.092   5.920  -5.437
   41    HE1  TRP   5           HE1      TRP   5   8.239   8.348  -5.419
   42    HE3  TRP   5           HE3      TRP   5   4.197   5.070  -6.642
   43    HZ2  TRP   5           HZ2      TRP   5   5.812   9.722  -5.858
   44    HZ3  TRP   5           HZ3      TRP   5   2.675   6.995  -6.822
   45    HH2  TRP   5           HH2      TRP   5   3.468   9.272  -6.437
   46    H    THR   6           H        THR   6   7.029   4.085  -9.980
   47    HA   THR   6           HA       THR   6   9.728   5.266  -9.889
   48    HB   THR   6           HB       THR   6   9.620   3.081 -11.130
   49    HG1  THR   6           HG1      THR   6  11.282   4.399 -11.721
   50   1HG2  THR   6          1HG2      THR   6   8.527   4.192 -13.556
   51   2HG2  THR   6          2HG2      THR   6   7.331   4.228 -12.261
   52   3HG2  THR   6          3HG2      THR   6   8.096   2.705 -12.713
   53    H    TRP   7           H        TRP   7  10.099   6.728 -11.861
   54    HA   TRP   7           HA       TRP   7   8.145   8.795 -11.785
   55   1HB   TRP   7          1HB       TRP   7  10.368   9.530 -12.032
   56   2HB   TRP   7          2HB       TRP   7  10.692   8.388 -13.334
   57    HD1  TRP   7           HD1      TRP   7  10.967   9.620 -15.547
   58    HE1  TRP   7           HE1      TRP   7   9.890  11.666 -16.678
   59    HE3  TRP   7           HE3      TRP   7   7.724  10.985 -11.838
   60    HZ2  TRP   7           HZ2      TRP   7   7.927  13.603 -16.077
   61    HZ3  TRP   7           HZ3      TRP   7   6.283  12.946 -12.194
   62    HH2  TRP   7           HH2      TRP   7   6.384  14.227 -14.270
   63    H    ASN   8           H        ASN   8   6.523   9.268 -13.148
   64    HA   ASN   8           HA       ASN   8   6.271   7.633 -15.587
   65   1HB   ASN   8          1HB       ASN   8   4.621   7.329 -13.544
   66   2HB   ASN   8          2HB       ASN   8   3.856   8.758 -14.232
   67   1HD2  ASN   8          2HD2      ASN   8   2.294   8.360 -15.606
   68   2HD2  ASN   8          1HD2      ASN   8   2.133   6.951 -16.592
   69    HA   PRO   9           HA       PRO   9   6.525  11.944 -17.076
   70   1HB   PRO   9          1HB       PRO   9   7.564  11.262 -19.490
   71   2HB   PRO   9          2HB       PRO   9   8.552  11.448 -18.036
   72   1HG   PRO   9          1HG       PRO   9   7.492   8.949 -19.298
   73   2HG   PRO   9          2HG       PRO   9   9.101   9.265 -18.623
   74   1HD   PRO   9          1HD       PRO   9   7.193   7.904 -17.267
   75   2HD   PRO   9          2HD       PRO   9   8.394   8.928 -16.455
   76    H    ALA  10           H        ALA  10   4.863   9.135 -18.114
   77    HA   ALA  10           HA       ALA  10   3.648   9.903 -20.474
   78   1HB   ALA  10          1HB       ALA  10   1.680   8.560 -18.973
   79   2HB   ALA  10          2HB       ALA  10   2.774   7.886 -20.181
   80   3HB   ALA  10          3HB       ALA  10   3.238   7.897 -18.480
   81    H    THR  11           H        THR  11   2.790  10.744 -17.156
   82    HA   THR  11           HA       THR  11   0.804  12.645 -18.223
   83    HB   THR  11           HB       THR  11  -0.242  12.514 -15.915
   84    HG1  THR  11           HG1      THR  11   0.295  10.695 -14.677
   85   1HG2  THR  11          1HG2      THR  11  -1.268  11.428 -17.834
   86   2HG2  THR  11          2HG2      THR  11  -1.437  10.412 -16.403
   87   3HG2  THR  11          3HG2      THR  11  -0.224  10.023 -17.623
   88    H    GLY  12           H        GLY  12   3.475  12.129 -16.020
   89   1HA   GLY  12          1HA       GLY  12   5.000  14.005 -15.692
   90   2HA   GLY  12          2HA       GLY  12   3.590  15.051 -15.606
   91    H    LYS  13           H        LYS  13   2.904  12.217 -14.012
   92    HA   LYS  13           HA       LYS  13   3.899  13.238 -11.439
   93   1HB   LYS  13          1HB       LYS  13   1.762  12.700 -10.385
   94   2HB   LYS  13          2HB       LYS  13   1.540  13.874 -11.675
   95   1HG   LYS  13          1HG       LYS  13   0.852  11.994 -13.165
   96   2HG   LYS  13          2HG       LYS  13   0.903  10.935 -11.754
   97   1HD   LYS  13          1HD       LYS  13  -0.700  12.574 -10.655
   98   2HD   LYS  13          2HD       LYS  13  -0.904  13.289 -12.256
   99   1HE   LYS  13          1HE       LYS  13  -1.879  11.347 -13.123
  100   2HE   LYS  13          2HE       LYS  13  -1.276  10.347 -11.803
  101   1HZ   LYS  13          1HZ       LYS  13  -3.089  10.760 -10.619
  102   2HZ   LYS  13          2HZ       LYS  13  -3.765  11.483 -11.990
  103   3HZ   LYS  13          3HZ       LYS  13  -2.960  12.432 -10.844
  104    H    TRP  14           H        TRP  14   4.837  11.748 -10.186
  105    HA   TRP  14           HA       TRP  14   5.527   9.231 -11.070
  106   1HB   TRP  14          1HB       TRP  14   5.271  10.250  -8.235
  107   2HB   TRP  14          2HB       TRP  14   6.039   8.724  -8.664
  108    HD1  TRP  14           HD1      TRP  14   6.473  12.502  -9.445
  109    HE1  TRP  14           HE1      TRP  14   8.986  12.958  -9.765
  110    HE3  TRP  14           HE3      TRP  14   8.230   7.722  -8.993
  111    HZ2  TRP  14           HZ2      TRP  14  11.394  11.486  -9.820
  112    HZ3  TRP  14           HZ3      TRP  14  10.651   7.332  -9.193
  113    HH2  TRP  14           HH2      TRP  14  12.198   9.176  -9.599
  114    H    THR  15           H        THR  15   4.111   7.730 -11.710
  115    HA   THR  15           HA       THR  15   1.807   7.147  -9.972
  116    HB   THR  15           HB       THR  15   0.713   6.154 -11.903
  117    HG1  THR  15           HG1      THR  15   2.588   5.418 -13.007
  118   1HG2  THR  15          1HG2      THR  15   1.576   8.618 -13.218
  119   2HG2  THR  15          2HG2      THR  15   1.144   8.839 -11.522
  120   3HG2  THR  15          3HG2      THR  15  -0.022   8.140 -12.646
  121    H    TRP  16           H        TRP  16   1.136   4.861  -9.870
  122    HA   TRP  16           HA       TRP  16   3.428   3.187  -9.340
  123   1HB   TRP  16          1HB       TRP  16   0.502   2.463  -9.110
  124   2HB   TRP  16          2HB       TRP  16   1.864   1.652  -8.342
  125    HD1  TRP  16           HD1      TRP  16  -0.414   4.675  -7.979
  126    HE1  TRP  16           HE1      TRP  16  -0.010   5.756  -5.678
  127    HE3  TRP  16           HE3      TRP  16   3.703   2.007  -6.541
  128    HZ2  TRP  16           HZ2      TRP  16   1.814   5.510  -3.537
  129    HZ3  TRP  16           HZ3      TRP  16   4.717   2.491  -4.352
  130    HH2  TRP  16           HH2      TRP  16   3.791   4.207  -2.883
  131    H    ARG  17           H        ARG  17   3.991   1.301 -10.373
  132    HA   ARG  17           HA       ARG  17   2.570   0.729 -12.892
  133   1HB   ARG  17          1HB       ARG  17   5.496   0.172 -12.536
  134   2HB   ARG  17          2HB       ARG  17   4.583   0.386 -14.023
  135   1HG   ARG  17          1HG       ARG  17   5.225   2.568 -12.051
  136   2HG   ARG  17          2HG       ARG  17   6.084   2.266 -13.563
  137   1HD   ARG  17          1HD       ARG  17   3.245   3.176 -13.177
  138   2HD   ARG  17          2HD       ARG  17   4.554   4.009 -14.014
  139    HE   ARG  17           HE       ARG  17   4.285   1.742 -15.444
  140   1HH1  ARG  17          1HH1      ARG  17   2.006   4.138 -14.359
  141   2HH1  ARG  17          2HH1      ARG  17   0.938   3.922 -15.706
  142   1HH2  ARG  17          1HH2      ARG  17   2.887   1.447 -17.222
  143   2HH2  ARG  17          2HH2      ARG  17   1.440   2.390 -17.334
  144    H    LYS  18           H        LYS  18   2.042  -1.348 -13.307
  145    HA   LYS  18           HA       LYS  18   2.979  -3.391 -11.400
  146   1HB   LYS  18          1HB       LYS  18   0.770  -4.493 -11.688
  147   2HB   LYS  18          2HB       LYS  18   0.660  -2.906 -10.937
  148   1HG   LYS  18          1HG       LYS  18   0.309  -2.193 -13.488
  149   2HG   LYS  18          2HG       LYS  18  -0.323  -3.840 -13.560
  150   1HD   LYS  18          1HD       LYS  18  -1.494  -2.931 -11.287
  151   2HD   LYS  18          2HD       LYS  18  -1.412  -1.448 -12.240
  152   1HE   LYS  18          1HE       LYS  18  -3.442  -2.309 -12.904
  153   2HE   LYS  18          2HE       LYS  18  -2.367  -2.954 -14.143
  154   1HZ   LYS  18          1HZ       LYS  18  -2.503  -5.059 -13.297
  155   2HZ   LYS  18          2HZ       LYS  18  -4.053  -4.495 -12.924
  156   3HZ   LYS  18          3HZ       LYS  18  -2.861  -4.544 -11.725
  157    H    ASN  19           H        ASN  19   3.448  -5.429 -12.198
  158    HA   ASN  19           HA       ASN  19   4.271  -5.534 -14.930
  159   1HB   ASN  19          1HB       ASN  19   4.272  -7.530 -12.674
  160   2HB   ASN  19          2HB       ASN  19   4.765  -7.983 -14.303
  161   1HD2  ASN  19          2HD2      ASN  19   6.306  -7.897 -11.829
  162   2HD2  ASN  19          1HD2      ASN  19   7.639  -6.841 -12.134
  163    H    GLU  20           H        GLU  20   2.079  -7.697 -13.123
  164    HA   GLU  20           HA       GLU  20   0.496  -7.983 -15.593
  165   1HB   GLU  20          1HB       GLU  20   1.282 -10.052 -13.553
  166   2HB   GLU  20          2HB       GLU  20  -0.084 -10.290 -14.633
  167   1HG   GLU  20          1HG       GLU  20   1.559 -11.333 -15.813
  168   2HG   GLU  20          2HG       GLU  20   1.677  -9.707 -16.483
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1   1.780  -0.477   0.877
    2    HA   LYS   1           HA       LYS   1   1.405   1.216  -1.370
    3   1HB   LYS   1          1HB       LYS   1   3.391  -0.906  -0.635
    4   2HB   LYS   1          2HB       LYS   1   3.377  -0.249  -2.266
    5   1HG   LYS   1          1HG       LYS   1   3.943   1.900  -1.527
    6   2HG   LYS   1          2HG       LYS   1   3.537   1.523   0.149
    7   1HD   LYS   1          1HD       LYS   1   5.427  -0.011   0.274
    8   2HD   LYS   1          2HD       LYS   1   5.820   0.316  -1.416
    9   1HE   LYS   1          1HE       LYS   1   5.654   2.553   0.566
   10   2HE   LYS   1          2HE       LYS   1   7.109   1.562   0.461
   11   1HZ   LYS   1          1HZ       LYS   1   5.915   3.268  -1.643
   12   2HZ   LYS   1          2HZ       LYS   1   7.087   2.098  -1.985
   13   3HZ   LYS   1          3HZ       LYS   1   7.455   3.387  -0.953
   14    H    ALA   2           H        ALA   2   1.599   0.334  -3.656
   15    HA   ALA   2           HA       ALA   2  -0.238  -1.951  -3.962
   16   1HB   ALA   2          1HB       ALA   2  -0.298  -0.522  -6.345
   17   2HB   ALA   2          2HB       ALA   2  -1.534  -0.537  -5.087
   18   3HB   ALA   2          3HB       ALA   2  -0.287   0.711  -5.083
   19    H    TRP   3           H        TRP   3   1.914  -0.213  -6.199
   20    HA   TRP   3           HA       TRP   3   3.349  -2.731  -6.686
   21   1HB   TRP   3          1HB       TRP   3   2.798  -0.936  -9.006
   22   2HB   TRP   3          2HB       TRP   3   3.046  -2.679  -8.969
   23    HD1  TRP   3           HD1      TRP   3   0.834  -3.915  -7.445
   24    HE1  TRP   3           HE1      TRP   3  -1.662  -3.566  -7.970
   25    HE3  TRP   3           HE3      TRP   3   1.159   0.473 -10.049
   26    HZ2  TRP   3           HZ2      TRP   3  -3.278  -1.680  -9.312
   27    HZ3  TRP   3           HZ3      TRP   3  -0.909   1.483 -10.920
   28    HH2  TRP   3           HH2      TRP   3  -3.080   0.427 -10.558
   29    H    THR   4           H        THR   4   4.979  -1.709  -8.756
   30    HA   THR   4           HA       THR   4   7.073  -0.576  -7.310
   31    HB   THR   4           HB       THR   4   6.689  -0.286 -10.292
   32    HG1  THR   4           HG1      THR   4   7.486  -2.335 -10.489
   33   1HG2  THR   4          1HG2      THR   4   9.069  -0.231  -8.455
   34   2HG2  THR   4          2HG2      THR   4   8.563   0.975  -9.638
   35   3HG2  THR   4          3HG2      THR   4   9.231  -0.564 -10.179
   36    H    TRP   5           H        TRP   5   8.029   1.522  -7.409
   37    HA   TRP   5           HA       TRP   5   6.118   3.670  -8.058
   38   1HB   TRP   5          1HB       TRP   5   6.280   3.483  -5.652
   39   2HB   TRP   5          2HB       TRP   5   8.040   3.501  -5.729
   40    HD1  TRP   5           HD1      TRP   5   9.195   5.810  -5.598
   41    HE1  TRP   5           HE1      TRP   5   8.374   8.248  -5.529
   42    HE3  TRP   5           HE3      TRP   5   4.252   5.030  -6.640
   43    HZ2  TRP   5           HZ2      TRP   5   5.950   9.655  -5.871
   44    HZ3  TRP   5           HZ3      TRP   5   2.748   6.975  -6.751
   45    HH2  TRP   5           HH2      TRP   5   3.582   9.239  -6.373
   46    H    THR   6           H        THR   6   7.051   3.996 -10.099
   47    HA   THR   6           HA       THR   6   9.755   5.169 -10.034
   48    HB   THR   6           HB       THR   6   9.596   3.003 -11.304
   49    HG1  THR   6           HG1      THR   6  11.180   4.638 -11.788
   50   1HG2  THR   6          1HG2      THR   6   7.301   4.197 -12.376
   51   2HG2  THR   6          2HG2      THR   6   8.037   2.670 -12.864
   52   3HG2  THR   6          3HG2      THR   6   8.474   4.164 -13.692
   53    H    TRP   7           H        TRP   7  10.109   6.653 -11.994
   54    HA   TRP   7           HA       TRP   7   8.184   8.744 -11.851
   55   1HB   TRP   7          1HB       TRP   7  10.409   9.456 -12.132
   56   2HB   TRP   7          2HB       TRP   7  10.698   8.325 -13.450
   57    HD1  TRP   7           HD1      TRP   7  10.943   9.570 -15.659
   58    HE1  TRP   7           HE1      TRP   7   9.876  11.644 -16.749
   59    HE3  TRP   7           HE3      TRP   7   7.798  10.950 -11.871
   60    HZ2  TRP   7           HZ2      TRP   7   7.955  13.605 -16.089
   61    HZ3  TRP   7           HZ3      TRP   7   6.380  12.937 -12.180
   62    HH2  TRP   7           HH2      TRP   7   6.459  14.236 -14.246
   63    H    ASN   8           H        ASN   8   6.521   9.225 -13.152
   64    HA   ASN   8           HA       ASN   8   6.207   7.637 -15.615
   65   1HB   ASN   8          1HB       ASN   8   4.594   7.335 -13.541
   66   2HB   ASN   8          2HB       ASN   8   3.836   8.781 -14.199
   67   1HD2  ASN   8          2HD2      ASN   8   2.192   8.366 -15.465
   68   2HD2  ASN   8          1HD2      ASN   8   2.010   6.989 -16.492
   69    HA   PRO   9           HA       PRO   9   6.493  11.962 -17.058
   70   1HB   PRO   9          1HB       PRO   9   7.479  11.295 -19.498
   71   2HB   PRO   9          2HB       PRO   9   8.496  11.451 -18.061
   72   1HG   PRO   9          1HG       PRO   9   7.381   8.981 -19.332
   73   2HG   PRO   9          2HG       PRO   9   9.005   9.269 -18.681
   74   1HD   PRO   9          1HD       PRO   9   7.104   7.917 -17.307
   75   2HD   PRO   9          2HD       PRO   9   8.333   8.916 -16.505
   76    H    ALA  10           H        ALA  10   4.808   9.171 -18.143
   77    HA   ALA  10           HA       ALA  10   3.551   9.995 -20.456
   78   1HB   ALA  10          1HB       ALA  10   2.020   8.295 -20.114
   79   2HB   ALA  10          2HB       ALA  10   3.394   7.763 -19.144
   80   3HB   ALA  10          3HB       ALA  10   2.005   8.520 -18.365
   81    H    THR  11           H        THR  11   2.811  10.839 -17.120
   82    HA   THR  11           HA       THR  11   0.797  12.749 -18.117
   83    HB   THR  11           HB       THR  11  -0.177  12.606 -15.769
   84    HG1  THR  11           HG1      THR  11   1.886  11.257 -15.207
   85   1HG2  THR  11          1HG2      THR  11  -0.268  10.188 -17.576
   86   2HG2  THR  11          2HG2      THR  11  -1.324  11.599 -17.639
   87   3HG2  THR  11          3HG2      THR  11  -1.402  10.499 -16.263
   88    H    GLY  12           H        GLY  12   3.479  12.182 -15.925
   89   1HA   GLY  12          1HA       GLY  12   5.042  14.047 -15.637
   90   2HA   GLY  12          2HA       GLY  12   3.643  15.103 -15.510
   91    H    LYS  13           H        LYS  13   2.954  12.269 -13.928
   92    HA   LYS  13           HA       LYS  13   4.024  13.246 -11.369
   93   1HB   LYS  13          1HB       LYS  13   1.899  12.721 -10.274
   94   2HB   LYS  13          2HB       LYS  13   1.679  13.932 -11.530
   95   1HG   LYS  13          1HG       LYS  13   0.896  12.133 -13.050
   96   2HG   LYS  13          2HG       LYS  13   0.989  11.007 -11.695
   97   1HD   LYS  13          1HD       LYS  13  -0.503  12.809 -10.505
   98   2HD   LYS  13          2HD       LYS  13  -0.897  13.272 -12.162
   99   1HE   LYS  13          1HE       LYS  13  -1.031  10.396 -11.385
  100   2HE   LYS  13          2HE       LYS  13  -2.328  11.479 -10.882
  101   1HZ   LYS  13          1HZ       LYS  13  -2.239  12.153 -13.395
  102   2HZ   LYS  13          2HZ       LYS  13  -3.112  10.794 -12.892
  103   3HZ   LYS  13          3HZ       LYS  13  -1.575  10.607 -13.575
  104    H    TRP  14           H        TRP  14   4.961  11.725 -10.151
  105    HA   TRP  14           HA       TRP  14   5.585   9.205 -11.075
  106   1HB   TRP  14          1HB       TRP  14   5.408  10.194  -8.223
  107   2HB   TRP  14          2HB       TRP  14   6.147   8.665  -8.691
  108    HD1  TRP  14           HD1      TRP  14   6.613  12.448  -9.423
  109    HE1  TRP  14           HE1      TRP  14   9.123  12.876  -9.797
  110    HE3  TRP  14           HE3      TRP  14   8.315   7.639  -9.091
  111    HZ2  TRP  14           HZ2      TRP  14  11.509  11.374  -9.934
  112    HZ3  TRP  14           HZ3      TRP  14  10.725   7.220  -9.355
  113    HH2  TRP  14           HH2      TRP  14  12.288   9.050  -9.768
  114    H    THR  15           H        THR  15   4.135   7.730 -11.693
  115    HA   THR  15           HA       THR  15   1.877   7.153  -9.889
  116    HB   THR  15           HB       THR  15   0.680   6.248 -11.806
  117    HG1  THR  15           HG1      THR  15   1.647   6.502 -13.912
  118   1HG2  THR  15          1HG2      THR  15   1.350   8.961 -11.429
  119   2HG2  THR  15          2HG2      THR  15  -0.079   8.301 -12.224
  120   3HG2  THR  15          3HG2      THR  15   1.362   8.676 -13.169
  121    H    TRP  16           H        TRP  16   1.236   4.930  -9.649
  122    HA   TRP  16           HA       TRP  16   3.476   3.184  -9.318
  123   1HB   TRP  16          1HB       TRP  16   0.549   2.471  -9.077
  124   2HB   TRP  16          2HB       TRP  16   1.916   1.638  -8.342
  125    HD1  TRP  16           HD1      TRP  16  -0.367   4.637  -7.868
  126    HE1  TRP  16           HE1      TRP  16   0.064   5.661  -5.547
  127    HE3  TRP  16           HE3      TRP  16   3.791   1.965  -6.563
  128    HZ2  TRP  16           HZ2      TRP  16   1.922   5.375  -3.441
  129    HZ3  TRP  16           HZ3      TRP  16   4.835   2.401  -4.378
  130    HH2  TRP  16           HH2      TRP  16   3.919   4.072  -2.851
  131    H    ARG  17           H        ARG  17   3.982   1.309 -10.412
  132    HA   ARG  17           HA       ARG  17   2.526   0.850 -12.933
  133   1HB   ARG  17          1HB       ARG  17   5.456   0.269 -12.622
  134   2HB   ARG  17          2HB       ARG  17   4.527   0.493 -14.098
  135   1HG   ARG  17          1HG       ARG  17   5.163   2.667 -12.114
  136   2HG   ARG  17          2HG       ARG  17   6.037   2.372 -13.618
  137   1HD   ARG  17          1HD       ARG  17   3.189   3.266 -13.261
  138   2HD   ARG  17          2HD       ARG  17   4.504   4.113 -14.074
  139    HE   ARG  17           HE       ARG  17   4.264   1.847 -15.519
  140   1HH1  ARG  17          1HH1      ARG  17   1.969   4.243 -14.462
  141   2HH1  ARG  17          2HH1      ARG  17   0.924   4.033 -15.828
  142   1HH2  ARG  17          1HH2      ARG  17   2.896   1.562 -17.322
  143   2HH2  ARG  17          2HH2      ARG  17   1.451   2.507 -17.453
  144    H    LYS  18           H        LYS  18   1.951  -1.201 -13.400
  145    HA   LYS  18           HA       LYS  18   2.895  -3.321 -11.583
  146   1HB   LYS  18          1HB       LYS  18   0.669  -4.383 -11.869
  147   2HB   LYS  18          2HB       LYS  18   0.590  -2.819 -11.069
  148   1HG   LYS  18          1HG       LYS  18   0.211  -2.026 -13.594
  149   2HG   LYS  18          2HG       LYS  18  -0.447  -3.661 -13.701
  150   1HD   LYS  18          1HD       LYS  18  -1.568  -2.800 -11.384
  151   2HD   LYS  18          2HD       LYS  18  -1.476  -1.291 -12.295
  152   1HE   LYS  18          1HE       LYS  18  -2.701  -3.850 -13.317
  153   2HE   LYS  18          2HE       LYS  18  -3.610  -2.512 -12.617
  154   1HZ   LYS  18          1HZ       LYS  18  -2.199  -1.242 -14.485
  155   2HZ   LYS  18          2HZ       LYS  18  -3.747  -1.871 -14.751
  156   3HZ   LYS  18          3HZ       LYS  18  -2.383  -2.748 -15.235
  157    H    ASN  19           H        ASN  19   3.411  -5.294 -12.460
  158    HA   ASN  19           HA       ASN  19   3.716  -5.329 -15.369
  159   1HB   ASN  19          1HB       ASN  19   4.990  -6.923 -13.148
  160   2HB   ASN  19          2HB       ASN  19   5.172  -7.364 -14.843
  161   1HD2  ASN  19          2HD2      ASN  19   6.343  -6.018 -16.218
  162   2HD2  ASN  19          1HD2      ASN  19   7.430  -4.820 -15.612
  163    H    GLU  20           H        GLU  20   2.364  -7.239 -12.719
  164    HA   GLU  20           HA       GLU  20   0.901  -8.836 -14.718
  165   1HB   GLU  20          1HB       GLU  20   0.780 -10.611 -12.968
  166   2HB   GLU  20          2HB       GLU  20   2.413 -10.269 -13.523
  167   1HG   GLU  20          1HG       GLU  20   1.334  -8.934 -11.078
  168   2HG   GLU  20          2HG       GLU  20   1.968 -10.577 -11.002
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1   1.024   2.433  -0.687
    2    HA   LYS   1           HA       LYS   1   2.679   0.675  -1.815
    3   1HB   LYS   1          1HB       LYS   1   0.815   0.166   0.502
    4   2HB   LYS   1          2HB       LYS   1   2.097  -0.950   0.050
    5   1HG   LYS   1          1HG       LYS   1   3.778   0.676   0.523
    6   2HG   LYS   1          2HG       LYS   1   2.566   1.939   0.750
    7   1HD   LYS   1          1HD       LYS   1   1.710   0.810   2.714
    8   2HD   LYS   1          2HD       LYS   1   2.822  -0.537   2.457
    9   1HE   LYS   1          1HE       LYS   1   3.981   0.657   4.029
   10   2HE   LYS   1          2HE       LYS   1   4.631   1.369   2.553
   11   1HZ   LYS   1          1HZ       LYS   1   3.342   2.671   4.640
   12   2HZ   LYS   1          2HZ       LYS   1   2.295   2.748   3.315
   13   3HZ   LYS   1          3HZ       LYS   1   3.875   3.338   3.180
   14    H    ALA   2           H        ALA   2   1.609   0.343  -3.935
   15    HA   ALA   2           HA       ALA   2  -0.122  -2.043  -3.867
   16   1HB   ALA   2          1HB       ALA   2  -1.621  -0.831  -4.979
   17   2HB   ALA   2          2HB       ALA   2  -0.473   0.485  -5.234
   18   3HB   ALA   2          3HB       ALA   2  -0.514  -0.879  -6.352
   19    H    TRP   3           H        TRP   3   1.924  -0.301  -6.218
   20    HA   TRP   3           HA       TRP   3   3.327  -2.826  -6.754
   21   1HB   TRP   3          1HB       TRP   3   2.765  -1.000  -9.047
   22   2HB   TRP   3          2HB       TRP   3   3.001  -2.745  -9.033
   23    HD1  TRP   3           HD1      TRP   3   0.796  -3.984  -7.501
   24    HE1  TRP   3           HE1      TRP   3  -1.702  -3.610  -7.994
   25    HE3  TRP   3           HE3      TRP   3   1.125   0.434 -10.053
   26    HZ2  TRP   3           HZ2      TRP   3  -3.319  -1.695  -9.293
   27    HZ3  TRP   3           HZ3      TRP   3  -0.944   1.471 -10.888
   28    HH2  TRP   3           HH2      TRP   3  -3.119   0.426 -10.515
   29    H    THR   4           H        THR   4   4.940  -1.791  -8.833
   30    HA   THR   4           HA       THR   4   7.063  -0.696  -7.399
   31    HB   THR   4           HB       THR   4   6.648  -0.349 -10.370
   32    HG1  THR   4           HG1      THR   4   7.585  -2.593  -8.887
   33   1HG2  THR   4          1HG2      THR   4   8.958  -0.157  -8.506
   34   2HG2  THR   4          2HG2      THR   4   8.580   0.798  -9.940
   35   3HG2  THR   4          3HG2      THR   4   9.246  -0.826 -10.112
   36    H    TRP   5           H        TRP   5   8.041   1.396  -7.497
   37    HA   TRP   5           HA       TRP   5   6.139   3.569  -8.084
   38   1HB   TRP   5          1HB       TRP   5   6.333   3.346  -5.682
   39   2HB   TRP   5          2HB       TRP   5   8.091   3.352  -5.784
   40    HD1  TRP   5           HD1      TRP   5   9.266   5.651  -5.638
   41    HE1  TRP   5           HE1      TRP   5   8.463   8.094  -5.523
   42    HE3  TRP   5           HE3      TRP   5   4.302   4.922  -6.621
   43    HZ2  TRP   5           HZ2      TRP   5   6.046   9.523  -5.811
   44    HZ3  TRP   5           HZ3      TRP   5   2.812   6.879  -6.683
   45    HH2  TRP   5           HH2      TRP   5   3.668   9.131  -6.286
   46    H    THR   6           H        THR   6   7.045   3.919 -10.132
   47    HA   THR   6           HA       THR   6   9.762   5.065 -10.087
   48    HB   THR   6           HB       THR   6   9.568   2.921 -11.385
   49    HG1  THR   6           HG1      THR   6  10.141   4.983 -13.212
   50   1HG2  THR   6          1HG2      THR   6   7.267   4.149 -12.408
   51   2HG2  THR   6          2HG2      THR   6   7.979   2.619 -12.921
   52   3HG2  THR   6          3HG2      THR   6   8.419   4.116 -13.742
   53    H    TRP   7           H        TRP   7  10.103   6.577 -12.026
   54    HA   TRP   7           HA       TRP   7   8.198   8.681 -11.829
   55   1HB   TRP   7          1HB       TRP   7  10.425   9.380 -12.127
   56   2HB   TRP   7          2HB       TRP   7  10.688   8.264 -13.465
   57    HD1  TRP   7           HD1      TRP   7  10.918   9.539 -15.658
   58    HE1  TRP   7           HE1      TRP   7   9.855  11.636 -16.706
   59    HE3  TRP   7           HE3      TRP   7   7.828  10.889 -11.816
   60    HZ2  TRP   7           HZ2      TRP   7   7.958  13.602 -15.998
   61    HZ3  TRP   7           HZ3      TRP   7   6.422  12.891 -12.081
   62    HH2  TRP   7           HH2      TRP   7   6.488  14.219 -14.129
   63    H    ASN   8           H        ASN   8   6.516   9.185 -13.095
   64    HA   ASN   8           HA       ASN   8   6.159   7.638 -15.578
   65   1HB   ASN   8          1HB       ASN   8   4.570   7.319 -13.491
   66   2HB   ASN   8          2HB       ASN   8   3.820   8.788 -14.111
   67   1HD2  ASN   8          2HD2      ASN   8   2.130   8.390 -15.320
   68   2HD2  ASN   8          1HD2      ASN   8   1.925   7.046 -16.386
   69    HA   PRO   9           HA       PRO   9   6.471  11.977 -16.970
   70   1HB   PRO   9          1HB       PRO   9   7.420  11.331 -19.430
   71   2HB   PRO   9          2HB       PRO   9   8.457  11.459 -18.004
   72   1HG   PRO   9          1HG       PRO   9   7.300   9.017 -19.292
   73   2HG   PRO   9          2HG       PRO   9   8.935   9.280 -18.659
   74   1HD   PRO   9          1HD       PRO   9   7.037   7.930 -17.277
   75   2HD   PRO   9          2HD       PRO   9   8.287   8.906 -16.479
   76    H    ALA  10           H        ALA  10   4.740   9.220 -18.063
   77    HA   ALA  10           HA       ALA  10   3.464  10.083 -20.351
   78   1HB   ALA  10          1HB       ALA  10   3.293   7.859 -18.930
   79   2HB   ALA  10          2HB       ALA  10   1.829   8.642 -18.334
   80   3HB   ALA  10          3HB       ALA  10   2.026   8.338 -20.060
   81    H    THR  11           H        THR  11   2.759  10.882 -16.993
   82    HA   THR  11           HA       THR  11   0.762  12.832 -17.944
   83    HB   THR  11           HB       THR  11  -0.245  12.668 -15.645
   84    HG1  THR  11           HG1      THR  11   0.321  10.581 -14.593
   85   1HG2  THR  11          1HG2      THR  11  -0.214  10.315 -17.516
   86   2HG2  THR  11          2HG2      THR  11  -1.445  11.566 -17.335
   87   3HG2  THR  11          3HG2      THR  11  -1.239  10.343 -16.081
   88    H    GLY  12           H        GLY  12   3.470  12.209 -15.803
   89   1HA   GLY  12          1HA       GLY  12   5.053  14.051 -15.503
   90   2HA   GLY  12          2HA       GLY  12   3.667  15.120 -15.345
   91    H    LYS  13           H        LYS  13   2.971  12.268 -13.794
   92    HA   LYS  13           HA       LYS  13   4.078  13.202 -11.234
   93   1HB   LYS  13          1HB       LYS  13   1.949  12.635 -10.131
   94   2HB   LYS  13          2HB       LYS  13   1.754  13.916 -11.320
   95   1HG   LYS  13          1HG       LYS  13   0.930  12.215 -12.931
   96   2HG   LYS  13          2HG       LYS  13   0.995  11.021 -11.633
   97   1HD   LYS  13          1HD       LYS  13  -0.497  12.624 -10.319
   98   2HD   LYS  13          2HD       LYS  13  -0.758  13.453 -11.856
   99   1HE   LYS  13          1HE       LYS  13  -1.847  11.621 -12.796
  100   2HE   LYS  13          2HE       LYS  13  -1.174  10.496 -11.618
  101   1HZ   LYS  13          1HZ       LYS  13  -2.743  11.008 -10.092
  102   2HZ   LYS  13          2HZ       LYS  13  -3.646  11.383 -11.471
  103   3HZ   LYS  13          3HZ       LYS  13  -2.893  12.617 -10.592
  104    H    TRP  14           H        TRP  14   5.019  11.659 -10.050
  105    HA   TRP  14           HA       TRP  14   5.613   9.147 -11.016
  106   1HB   TRP  14          1HB       TRP  14   5.481  10.099  -8.149
  107   2HB   TRP  14          2HB       TRP  14   6.203   8.571  -8.647
  108    HD1  TRP  14           HD1      TRP  14   6.686  12.360  -9.333
  109    HE1  TRP  14           HE1      TRP  14   9.194  12.775  -9.736
  110    HE3  TRP  14           HE3      TRP  14   8.357   7.534  -9.091
  111    HZ2  TRP  14           HZ2      TRP  14  11.567  11.258  -9.926
  112    HZ3  TRP  14           HZ3      TRP  14  10.761   7.102  -9.395
  113    HH2  TRP  14           HH2      TRP  14  12.330   8.927  -9.804
  114    H    THR  15           H        THR  15   4.141   7.692 -11.634
  115    HA   THR  15           HA       THR  15   1.904   7.108  -9.808
  116    HB   THR  15           HB       THR  15   0.675   6.237 -11.721
  117    HG1  THR  15           HG1      THR  15   1.637   6.558 -13.844
  118   1HG2  THR  15          1HG2      THR  15  -0.068   8.286 -12.208
  119   2HG2  THR  15          2HG2      THR  15   1.443   8.713 -13.012
  120   3HG2  THR  15          3HG2      THR  15   1.285   8.914 -11.268
  121    H    TRP  16           H        TRP  16   1.244   4.884  -9.597
  122    HA   TRP  16           HA       TRP  16   3.476   3.118  -9.312
  123   1HB   TRP  16          1HB       TRP  16   0.545   2.428  -9.046
  124   2HB   TRP  16          2HB       TRP  16   1.913   1.569  -8.343
  125    HD1  TRP  16           HD1      TRP  16  -0.339   4.577  -7.788
  126    HE1  TRP  16           HE1      TRP  16   0.135   5.562  -5.458
  127    HE3  TRP  16           HE3      TRP  16   3.821   1.858  -6.588
  128    HZ2  TRP  16           HZ2      TRP  16   2.022   5.231  -3.385
  129    HZ3  TRP  16           HZ3      TRP  16   4.901   2.254  -4.412
  130    HH2  TRP  16           HH2      TRP  16   4.019   3.906  -2.846
  131    H    ARG  17           H        ARG  17   3.954   1.251 -10.434
  132    HA   ARG  17           HA       ARG  17   2.467   0.837 -12.945
  133   1HB   ARG  17          1HB       ARG  17   5.398   0.236 -12.672
  134   2HB   ARG  17          2HB       ARG  17   4.454   0.478 -14.136
  135   1HG   ARG  17          1HG       ARG  17   5.118   2.631 -12.138
  136   2HG   ARG  17          2HG       ARG  17   5.980   2.345 -13.651
  137   1HD   ARG  17          1HD       ARG  17   3.138   3.246 -13.266
  138   2HD   ARG  17          2HD       ARG  17   4.450   4.098 -14.078
  139    HE   ARG  17           HE       ARG  17   4.185   1.835 -15.536
  140   1HH1  ARG  17          1HH1      ARG  17   1.944   4.279 -14.477
  141   2HH1  ARG  17          2HH1      ARG  17   0.899   4.100 -15.848
  142   1HH2  ARG  17          1HH2      ARG  17   2.818   1.590 -17.345
  143   2HH2  ARG  17          2HH2      ARG  17   1.397   2.569 -17.478
  144    H    LYS  18           H        LYS  18   1.873  -1.203 -13.432
  145    HA   LYS  18           HA       LYS  18   2.823  -3.354 -11.654
  146   1HB   LYS  18          1HB       LYS  18   0.585  -4.397 -11.929
  147   2HB   LYS  18          2HB       LYS  18   0.528  -2.844 -11.105
  148   1HG   LYS  18          1HG       LYS  18   0.123  -2.008 -13.610
  149   2HG   LYS  18          2HG       LYS  18  -0.544  -3.638 -13.739
  150   1HD   LYS  18          1HD       LYS  18  -1.630  -2.805 -11.391
  151   2HD   LYS  18          2HD       LYS  18  -1.553  -1.287 -12.290
  152   1HE   LYS  18          1HE       LYS  18  -3.551  -1.989 -13.079
  153   2HE   LYS  18          2HE       LYS  18  -2.537  -2.896 -14.201
  154   1HZ   LYS  18          1HZ       LYS  18  -4.081  -4.420 -13.348
  155   2HZ   LYS  18          2HZ       LYS  18  -3.884  -3.883 -11.757
  156   3HZ   LYS  18          3HZ       LYS  18  -2.646  -4.750 -12.515
  157    H    ASN  19           H        ASN  19   3.302  -5.325 -12.562
  158    HA   ASN  19           HA       ASN  19   3.353  -5.382 -15.506
  159   1HB   ASN  19          1HB       ASN  19   5.193  -7.102 -15.163
  160   2HB   ASN  19          2HB       ASN  19   5.587  -5.449 -14.698
  161   1HD2  ASN  19          2HD2      ASN  19   6.339  -5.104 -12.724
  162   2HD2  ASN  19          1HD2      ASN  19   6.322  -6.248 -11.429
  163    H    GLU  20           H        GLU  20   2.547  -7.190 -12.608
  164    HA   GLU  20           HA       GLU  20   1.318  -9.270 -14.294
  165   1HB   GLU  20          1HB       GLU  20   3.142  -9.984 -12.704
  166   2HB   GLU  20          2HB       GLU  20   2.077  -9.524 -11.383
  167   1HG   GLU  20          1HG       GLU  20   0.390 -11.133 -12.355
  168   2HG   GLU  20          2HG       GLU  20   1.687 -11.713 -13.398
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1   3.243   1.755  -2.337
    2    HA   LYS   1           HA       LYS   1   1.508   0.839  -0.220
    3   1HB   LYS   1          1HB       LYS   1   1.571   3.201  -1.184
    4   2HB   LYS   1          2HB       LYS   1   0.724   2.545  -2.579
    5   1HG   LYS   1          1HG       LYS   1  -0.882   3.531  -1.121
    6   2HG   LYS   1          2HG       LYS   1  -1.078   1.779  -1.046
    7   1HD   LYS   1          1HD       LYS   1   0.150   1.702   1.044
    8   2HD   LYS   1          2HD       LYS   1   0.459   3.437   0.953
    9   1HE   LYS   1          1HE       LYS   1  -1.974   3.842   1.051
   10   2HE   LYS   1          2HE       LYS   1  -2.236   2.107   1.221
   11   1HZ   LYS   1          1HZ       LYS   1  -0.892   2.190   3.267
   12   2HZ   LYS   1          2HZ       LYS   1  -2.293   3.131   3.370
   13   3HZ   LYS   1          3HZ       LYS   1  -0.793   3.873   3.122
   14    H    ALA   2           H        ALA   2   1.630   0.558  -3.756
   15    HA   ALA   2           HA       ALA   2  -0.152  -1.776  -3.539
   16   1HB   ALA   2          1HB       ALA   2  -0.273  -0.152  -6.017
   17   2HB   ALA   2          2HB       ALA   2  -1.535  -1.080  -5.204
   18   3HB   ALA   2          3HB       ALA   2  -1.057   0.498  -4.576
   19    H    TRP   3           H        TRP   3   1.862  -0.121  -5.981
   20    HA   TRP   3           HA       TRP   3   3.256  -2.667  -6.439
   21   1HB   TRP   3          1HB       TRP   3   2.699  -0.906  -8.784
   22   2HB   TRP   3          2HB       TRP   3   2.928  -2.652  -8.719
   23    HD1  TRP   3           HD1      TRP   3   0.719  -3.827  -7.135
   24    HE1  TRP   3           HE1      TRP   3  -1.778  -3.461  -7.641
   25    HE3  TRP   3           HE3      TRP   3   1.066   0.493  -9.847
   26    HZ2  TRP   3           HZ2      TRP   3  -3.387  -1.588  -9.008
   27    HZ3  TRP   3           HZ3      TRP   3  -0.999   1.507 -10.719
   28    HH2  TRP   3           HH2      TRP   3  -3.179   0.486 -10.307
   29    H    THR   4           H        THR   4   4.872  -1.703  -8.549
   30    HA   THR   4           HA       THR   4   7.006  -0.585  -7.156
   31    HB   THR   4           HB       THR   4   6.591  -0.273 -10.129
   32    HG1  THR   4           HG1      THR   4   6.705  -2.373 -10.264
   33   1HG2  THR   4          1HG2      THR   4   8.940  -0.234  -8.279
   34   2HG2  THR   4          2HG2      THR   4   8.544   0.853  -9.610
   35   3HG2  THR   4          3HG2      THR   4   9.151  -0.768  -9.946
   36    H    TRP   5           H        TRP   5   8.011   1.501  -7.346
   37    HA   TRP   5           HA       TRP   5   6.114   3.672  -7.953
   38   1HB   TRP   5          1HB       TRP   5   6.323   3.498  -5.547
   39   2HB   TRP   5          2HB       TRP   5   8.081   3.499  -5.662
   40    HD1  TRP   5           HD1      TRP   5   9.255   5.797  -5.549
   41    HE1  TRP   5           HE1      TRP   5   8.458   8.244  -5.495
   42    HE3  TRP   5           HE3      TRP   5   4.295   5.059  -6.545
   43    HZ2  TRP   5           HZ2      TRP   5   6.047   9.672  -5.829
   44    HZ3  TRP   5           HZ3      TRP   5   2.811   7.018  -6.660
   45    HH2  TRP   5           HH2      TRP   5   3.670   9.276  -6.309
   46    H    THR   6           H        THR   6   7.017   3.950 -10.018
   47    HA   THR   6           HA       THR   6   9.738   5.087 -10.014
   48    HB   THR   6           HB       THR   6   9.518   2.910 -11.258
   49    HG1  THR   6           HG1      THR   6  11.205   4.110 -11.942
   50   1HG2  THR   6          1HG2      THR   6   7.946   2.589 -12.811
   51   2HG2  THR   6          2HG2      THR   6   8.366   4.093 -13.632
   52   3HG2  THR   6          3HG2      THR   6   7.221   4.109 -12.290
   53    H    TRP   7           H        TRP   7  10.082   6.555 -11.979
   54    HA   TRP   7           HA       TRP   7   8.183   8.669 -11.831
   55   1HB   TRP   7          1HB       TRP   7  10.412   9.356 -12.142
   56   2HB   TRP   7          2HB       TRP   7  10.676   8.208 -13.452
   57    HD1  TRP   7           HD1      TRP   7  10.900   9.420 -15.682
   58    HE1  TRP   7           HE1      TRP   7   9.850  11.498 -16.779
   59    HE3  TRP   7           HE3      TRP   7   7.836  10.893 -11.863
   60    HZ2  TRP   7           HZ2      TRP   7   7.972  13.498 -16.114
   61    HZ3  TRP   7           HZ3      TRP   7   6.446  12.899 -12.174
   62    HH2  TRP   7           HH2      TRP   7   6.514  14.173 -14.256
   63    H    ASN   8           H        ASN   8   6.522   9.175 -13.129
   64    HA   ASN   8           HA       ASN   8   6.159   7.569 -15.573
   65   1HB   ASN   8          1HB       ASN   8   4.563   7.316 -13.469
   66   2HB   ASN   8          2HB       ASN   8   3.808   8.749 -14.160
   67   1HD2  ASN   8          2HD2      ASN   8   2.111   8.255 -15.324
   68   2HD2  ASN   8          1HD2      ASN   8   1.938   6.875 -16.349
   69    HA   PRO   9           HA       PRO   9   6.481  11.876 -17.054
   70   1HB   PRO   9          1HB       PRO   9   7.414  11.177 -19.506
   71   2HB   PRO   9          2HB       PRO   9   8.458  11.327 -18.087
   72   1HG   PRO   9          1HG       PRO   9   7.282   8.866 -19.321
   73   2HG   PRO   9          2HG       PRO   9   8.922   9.132 -18.701
   74   1HD   PRO   9          1HD       PRO   9   7.023   7.820 -17.284
   75   2HD   PRO   9          2HD       PRO   9   8.282   8.805 -16.511
   76    H    ALA  10           H        ALA  10   4.704   9.121 -18.046
   77    HA   ALA  10           HA       ALA  10   3.430   9.931 -20.359
   78   1HB   ALA  10          1HB       ALA  10   1.575   8.636 -18.557
   79   2HB   ALA  10          2HB       ALA  10   2.275   8.052 -20.067
   80   3HB   ALA  10          3HB       ALA  10   3.151   7.844 -18.551
   81    H    THR  11           H        THR  11   2.718  10.800 -17.014
   82    HA   THR  11           HA       THR  11   0.757  12.763 -18.013
   83    HB   THR  11           HB       THR  11  -0.238  12.664 -15.696
   84    HG1  THR  11           HG1      THR  11   0.279  10.735 -14.508
   85   1HG2  THR  11          1HG2      THR  11  -1.356  11.558 -17.524
   86   2HG2  THR  11          2HG2      THR  11  -1.427  10.516 -16.103
   87   3HG2  THR  11          3HG2      THR  11  -0.278  10.169 -17.395
   88    H    GLY  12           H        GLY  12   3.478  12.158 -15.893
   89   1HA   GLY  12          1HA       GLY  12   5.075  13.987 -15.623
   90   2HA   GLY  12          2HA       GLY  12   3.701  15.075 -15.483
   91    H    LYS  13           H        LYS  13   2.987  12.258 -13.871
   92    HA   LYS  13           HA       LYS  13   4.105  13.240 -11.334
   93   1HB   LYS  13          1HB       LYS  13   1.984  12.733 -10.210
   94   2HB   LYS  13          2HB       LYS  13   1.772  13.957 -11.455
   95   1HG   LYS  13          1HG       LYS  13   0.901  12.234 -12.975
   96   2HG   LYS  13          2HG       LYS  13   1.067  11.038 -11.688
   97   1HD   LYS  13          1HD       LYS  13  -0.415  12.605 -10.303
   98   2HD   LYS  13          2HD       LYS  13  -0.789  13.396 -11.836
   99   1HE   LYS  13          1HE       LYS  13  -2.497  11.855 -11.675
  100   2HE   LYS  13          2HE       LYS  13  -1.313  10.975 -12.640
  101   1HZ   LYS  13          1HZ       LYS  13  -2.378   9.756 -10.705
  102   2HZ   LYS  13          2HZ       LYS  13  -1.417  10.715  -9.697
  103   3HZ   LYS  13          3HZ       LYS  13  -0.692   9.678 -10.819
  104    H    TRP  14           H        TRP  14   5.036  11.717 -10.114
  105    HA   TRP  14           HA       TRP  14   5.621   9.184 -11.030
  106   1HB   TRP  14          1HB       TRP  14   5.492  10.195  -8.183
  107   2HB   TRP  14          2HB       TRP  14   6.206   8.654  -8.648
  108    HD1  TRP  14           HD1      TRP  14   6.709  12.427  -9.406
  109    HE1  TRP  14           HE1      TRP  14   9.219  12.822  -9.818
  110    HE3  TRP  14           HE3      TRP  14   8.355   7.597  -9.080
  111    HZ2  TRP  14           HZ2      TRP  14  11.583  11.289  -9.984
  112    HZ3  TRP  14           HZ3      TRP  14  10.756   7.147  -9.378
  113    HH2  TRP  14           HH2      TRP  14  12.335   8.956  -9.821
  114    H    THR  15           H        THR  15   4.149   7.718 -11.615
  115    HA   THR  15           HA       THR  15   1.889   7.199  -9.798
  116    HB   THR  15           HB       THR  15   0.691   6.254 -11.690
  117    HG1  THR  15           HG1      THR  15   2.421   5.442 -12.906
  118   1HG2  THR  15          1HG2      THR  15   1.241   8.927 -11.323
  119   2HG2  THR  15          2HG2      THR  15  -0.011   8.270 -12.377
  120   3HG2  THR  15          3HG2      THR  15   1.569   8.689 -13.038
  121    H    TRP  16           H        TRP  16   1.167   4.943  -9.649
  122    HA   TRP  16           HA       TRP  16   3.416   3.198  -9.211
  123   1HB   TRP  16          1HB       TRP  16   0.476   2.552  -8.924
  124   2HB   TRP  16          2HB       TRP  16   1.831   1.692  -8.198
  125    HD1  TRP  16           HD1      TRP  16  -0.369   4.750  -7.727
  126    HE1  TRP  16           HE1      TRP  16   0.129   5.798  -5.430
  127    HE3  TRP  16           HE3      TRP  16   3.753   2.004  -6.460
  128    HZ2  TRP  16           HZ2      TRP  16   2.020   5.501  -3.355
  129    HZ3  TRP  16           HZ3      TRP  16   4.848   2.448  -4.302
  130    HH2  TRP  16           HH2      TRP  16   3.998   4.161  -2.783
  131    H    ARG  17           H        ARG  17   3.897   1.296 -10.265
  132    HA   ARG  17           HA       ARG  17   2.411   0.786 -12.758
  133   1HB   ARG  17          1HB       ARG  17   5.338   0.183 -12.456
  134   2HB   ARG  17          2HB       ARG  17   4.399   0.373 -13.930
  135   1HG   ARG  17          1HG       ARG  17   5.078   2.595 -12.014
  136   2HG   ARG  17          2HG       ARG  17   5.928   2.251 -13.522
  137   1HD   ARG  17          1HD       ARG  17   3.096   3.186 -13.146
  138   2HD   ARG  17          2HD       ARG  17   4.407   3.993 -14.007
  139    HE   ARG  17           HE       ARG  17   4.123   1.699 -15.387
  140   1HH1  ARG  17          1HH1      ARG  17   1.848   4.115 -14.335
  141   2HH1  ARG  17          2HH1      ARG  17   0.771   3.869 -15.670
  142   1HH2  ARG  17          1HH2      ARG  17   2.714   1.366 -17.149
  143   2HH2  ARG  17          2HH2      ARG  17   1.264   2.304 -17.269
  144    H    LYS  18           H        LYS  18   1.811  -1.270 -13.167
  145    HA   LYS  18           HA       LYS  18   2.749  -3.353 -11.304
  146   1HB   LYS  18          1HB       LYS  18   0.506  -4.397 -11.541
  147   2HB   LYS  18          2HB       LYS  18   0.456  -2.814 -10.777
  148   1HG   LYS  18          1HG       LYS  18   0.056  -2.071 -13.311
  149   2HG   LYS  18          2HG       LYS  18  -0.618  -3.702 -13.380
  150   1HD   LYS  18          1HD       LYS  18  -1.703  -2.778 -11.067
  151   2HD   LYS  18          2HD       LYS  18  -1.616  -1.295 -12.019
  152   1HE   LYS  18          1HE       LYS  18  -3.604  -1.999 -12.814
  153   2HE   LYS  18          2HE       LYS  18  -2.600  -2.997 -13.865
  154   1HZ   LYS  18          1HZ       LYS  18  -4.480  -3.833 -11.977
  155   2HZ   LYS  18          2HZ       LYS  18  -2.962  -4.344 -11.435
  156   3HZ   LYS  18          3HZ       LYS  18  -3.504  -4.792 -12.973
  157    H    ASN  19           H        ASN  19   3.199  -5.371 -12.133
  158    HA   ASN  19           HA       ASN  19   3.152  -5.584 -15.073
  159   1HB   ASN  19          1HB       ASN  19   5.157  -6.815 -13.169
  160   2HB   ASN  19          2HB       ASN  19   5.183  -6.934 -14.926
  161   1HD2  ASN  19          2HD2      ASN  19   6.240  -5.436 -16.040
  162   2HD2  ASN  19          1HD2      ASN  19   6.873  -3.967 -15.388
  163    H    GLU  20           H        GLU  20   1.261  -6.719 -15.301
  164    HA   GLU  20           HA       GLU  20   0.735  -9.065 -13.699
  165   1HB   GLU  20          1HB       GLU  20  -1.004  -7.410 -14.630
  166   2HB   GLU  20          2HB       GLU  20  -0.790  -8.248 -16.160
  167   1HG   GLU  20          1HG       GLU  20  -1.389  -9.839 -13.719
  168   2HG   GLU  20          2HG       GLU  20  -2.687  -8.936 -14.497
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1   0.302   1.092   0.213
    2    HA   LYS   1           HA       LYS   1   2.250   1.297  -1.978
    3   1HB   LYS   1          1HB       LYS   1   2.192  -0.820   0.167
    4   2HB   LYS   1          2HB       LYS   1   3.524  -0.399  -0.900
    5   1HG   LYS   1          1HG       LYS   1   3.689   1.792   0.220
    6   2HG   LYS   1          2HG       LYS   1   2.414   1.288   1.333
    7   1HD   LYS   1          1HD       LYS   1   4.529   0.939   2.405
    8   2HD   LYS   1          2HD       LYS   1   3.851  -0.639   1.997
    9   1HE   LYS   1          1HE       LYS   1   5.326  -0.909   0.174
   10   2HE   LYS   1          2HE       LYS   1   5.802   0.788   0.210
   11   1HZ   LYS   1          1HZ       LYS   1   7.426  -0.864   1.173
   12   2HZ   LYS   1          2HZ       LYS   1   6.349  -1.050   2.464
   13   3HZ   LYS   1          3HZ       LYS   1   7.045   0.461   2.154
   14    H    ALA   2           H        ALA   2   1.672   0.386  -3.828
   15    HA   ALA   2           HA       ALA   2  -0.004  -2.038  -3.740
   16   1HB   ALA   2          1HB       ALA   2  -0.919   0.243  -4.710
   17   2HB   ALA   2          2HB       ALA   2  -0.048  -0.296  -6.146
   18   3HB   ALA   2          3HB       ALA   2  -1.319  -1.305  -5.454
   19    H    TRP   3           H        TRP   3   2.007  -0.302  -6.125
   20    HA   TRP   3           HA       TRP   3   3.486  -2.801  -6.579
   21   1HB   TRP   3          1HB       TRP   3   2.913  -1.035  -8.915
   22   2HB   TRP   3          2HB       TRP   3   3.190  -2.774  -8.863
   23    HD1  TRP   3           HD1      TRP   3   0.992  -4.024  -7.321
   24    HE1  TRP   3           HE1      TRP   3  -1.507  -3.721  -7.859
   25    HE3  TRP   3           HE3      TRP   3   1.257   0.329  -9.989
   26    HZ2  TRP   3           HZ2      TRP   3  -3.148  -1.881  -9.233
   27    HZ3  TRP   3           HZ3      TRP   3  -0.823   1.294 -10.881
   28    HH2  TRP   3           HH2      TRP   3  -2.979   0.210 -10.510
   29    H    THR   4           H        THR   4   5.103  -1.770  -8.658
   30    HA   THR   4           HA       THR   4   7.183  -0.603  -7.222
   31    HB   THR   4           HB       THR   4   6.801  -0.293 -10.201
   32    HG1  THR   4           HG1      THR   4   7.485  -2.541  -8.640
   33   1HG2  THR   4          1HG2      THR   4   9.061  -0.024  -8.301
   34   2HG2  THR   4          2HG2      THR   4   8.731   0.845  -9.800
   35   3HG2  THR   4          3HG2      THR   4   9.409  -0.781  -9.854
   36    H    TRP   5           H        TRP   5   8.126   1.511  -7.372
   37    HA   TRP   5           HA       TRP   5   6.179   3.631  -8.002
   38   1HB   TRP   5          1HB       TRP   5   6.351   3.448  -5.594
   39   2HB   TRP   5          2HB       TRP   5   8.110   3.498  -5.678
   40    HD1  TRP   5           HD1      TRP   5   9.220   5.827  -5.542
   41    HE1  TRP   5           HE1      TRP   5   8.355   8.250  -5.481
   42    HE3  TRP   5           HE3      TRP   5   4.295   4.957  -6.600
   43    HZ2  TRP   5           HZ2      TRP   5   5.908   9.613  -5.835
   44    HZ3  TRP   5           HZ3      TRP   5   2.758   6.875  -6.720
   45    HH2  TRP   5           HH2      TRP   5   3.550   9.153  -6.345
   46    H    THR   6           H        THR   6   7.097   3.977 -10.043
   47    HA   THR   6           HA       THR   6   9.787   5.184  -9.986
   48    HB   THR   6           HB       THR   6   9.667   3.013 -11.245
   49    HG1  THR   6           HG1      THR   6  10.928   3.828 -12.908
   50   1HG2  THR   6          1HG2      THR   6   7.346   4.161 -12.320
   51   2HG2  THR   6          2HG2      THR   6   8.102   2.638 -12.789
   52   3HG2  THR   6          3HG2      THR   6   8.515   4.127 -13.639
   53    H    TRP   7           H        TRP   7  10.117   6.670 -11.945
   54    HA   TRP   7           HA       TRP   7   8.158   8.728 -11.813
   55   1HB   TRP   7          1HB       TRP   7  10.373   9.474 -12.094
   56   2HB   TRP   7          2HB       TRP   7  10.679   8.345 -13.411
   57    HD1  TRP   7           HD1      TRP   7  10.904   9.591 -15.622
   58    HE1  TRP   7           HE1      TRP   7   9.804  11.645 -16.715
   59    HE3  TRP   7           HE3      TRP   7   7.737  10.925 -11.837
   60    HZ2  TRP   7           HZ2      TRP   7   7.852  13.576 -16.059
   61    HZ3  TRP   7           HZ3      TRP   7   6.287  12.888 -12.149
   62    HH2  TRP   7           HH2      TRP   7   6.345  14.185 -14.217
   63    H    ASN   8           H        ASN   8   6.501   9.197 -13.132
   64    HA   ASN   8           HA       ASN   8   6.212   7.590 -15.586
   65   1HB   ASN   8          1HB       ASN   8   4.600   7.276 -13.505
   66   2HB   ASN   8          2HB       ASN   8   3.814   8.695 -14.190
   67   1HD2  ASN   8          2HD2      ASN   8   2.336   8.360 -15.686
   68   2HD2  ASN   8          1HD2      ASN   8   2.135   6.911 -16.605
   69    HA   PRO   9           HA       PRO   9   6.426  11.915 -17.039
   70   1HB   PRO   9          1HB       PRO   9   7.421  11.259 -19.478
   71   2HB   PRO   9          2HB       PRO   9   8.436  11.434 -18.042
   72   1HG   PRO   9          1HG       PRO   9   7.359   8.944 -19.307
   73   2HG   PRO   9          2HG       PRO   9   8.979   9.259 -18.658
   74   1HD   PRO   9          1HD       PRO   9   7.101   7.880 -17.279
   75   2HD   PRO   9          2HD       PRO   9   8.315   8.900 -16.481
   76    H    ALA  10           H        ALA  10   4.746   9.115 -18.060
   77    HA   ALA  10           HA       ALA  10   3.485   9.899 -20.394
   78   1HB   ALA  10          1HB       ALA  10   3.258   7.783 -18.621
   79   2HB   ALA  10          2HB       ALA  10   1.657   8.522 -18.619
   80   3HB   ALA  10          3HB       ALA  10   2.377   7.985 -20.136
   81    H    THR  11           H        THR  11   2.706  10.725 -17.054
   82    HA   THR  11           HA       THR  11   0.690  12.625 -18.065
   83    HB   THR  11           HB       THR  11  -0.325  12.474 -15.754
   84    HG1  THR  11           HG1      THR  11   0.228  10.495 -14.624
   85   1HG2  THR  11          1HG2      THR  11  -1.425  10.267 -16.206
   86   2HG2  THR  11          2HG2      THR  11  -0.283  10.035 -17.530
   87   3HG2  THR  11          3HG2      THR  11  -1.426  11.377 -17.576
   88    H    GLY  12           H        GLY  12   3.403  12.095 -15.916
   89   1HA   GLY  12          1HA       GLY  12   4.933  13.972 -15.607
   90   2HA   GLY  12          2HA       GLY  12   3.522  15.013 -15.480
   91    H    LYS  13           H        LYS  13   2.874  12.166 -13.898
   92    HA   LYS  13           HA       LYS  13   3.924  13.163 -11.338
   93   1HB   LYS  13          1HB       LYS  13   1.796  12.553 -10.255
   94   2HB   LYS  13          2HB       LYS  13   1.584  13.815 -11.460
   95   1HG   LYS  13          1HG       LYS  13   0.821  12.081 -13.063
   96   2HG   LYS  13          2HG       LYS  13   0.906  10.898 -11.756
   97   1HD   LYS  13          1HD       LYS  13  -1.290  11.478 -11.571
   98   2HD   LYS  13          2HD       LYS  13  -0.590  12.720 -10.529
   99   1HE   LYS  13          1HE       LYS  13  -0.678  14.337 -12.290
  100   2HE   LYS  13          2HE       LYS  13  -1.139  13.108 -13.467
  101   1HZ   LYS  13          1HZ       LYS  13  -2.764  14.500 -11.512
  102   2HZ   LYS  13          2HZ       LYS  13  -3.084  12.847 -11.662
  103   3HZ   LYS  13          3HZ       LYS  13  -3.193  13.855 -13.016
  104    H    TRP  14           H        TRP  14   4.888  11.661 -10.119
  105    HA   TRP  14           HA       TRP  14   5.560   9.153 -11.042
  106   1HB   TRP  14          1HB       TRP  14   5.365  10.142  -8.191
  107   2HB   TRP  14          2HB       TRP  14   6.129   8.625  -8.656
  108    HD1  TRP  14           HD1      TRP  14   6.532  12.413  -9.398
  109    HE1  TRP  14           HE1      TRP  14   9.035  12.883  -9.771
  110    HE3  TRP  14           HE3      TRP  14   8.315   7.635  -9.049
  111    HZ2  TRP  14           HZ2      TRP  14  11.446  11.421  -9.901
  112    HZ3  TRP  14           HZ3      TRP  14  10.732   7.256  -9.309
  113    HH2  TRP  14           HH2      TRP  14  12.264   9.111  -9.727
  114    H    THR  15           H        THR  15   4.141   7.647 -11.656
  115    HA   THR  15           HA       THR  15   1.880   7.042  -9.866
  116    HB   THR  15           HB       THR  15   0.725   6.086 -11.781
  117    HG1  THR  15           HG1      THR  15   1.789   6.480 -13.902
  118   1HG2  THR  15          1HG2      THR  15  -0.059   8.125 -12.217
  119   2HG2  THR  15          2HG2      THR  15   1.360   8.481 -13.201
  120   3HG2  THR  15          3HG2      THR  15   1.378   8.823 -11.471
  121    H    TRP  16           H        TRP  16   1.241   4.779  -9.700
  122    HA   TRP  16           HA       TRP  16   3.529   3.092  -9.283
  123   1HB   TRP  16          1HB       TRP  16   0.609   2.346  -9.042
  124   2HB   TRP  16          2HB       TRP  16   1.983   1.527  -8.304
  125    HD1  TRP  16           HD1      TRP  16  -0.326   4.506  -7.841
  126    HE1  TRP  16           HE1      TRP  16   0.101   5.547  -5.526
  127    HE3  TRP  16           HE3      TRP  16   3.863   1.885  -6.532
  128    HZ2  TRP  16           HZ2      TRP  16   1.967   5.292  -3.424
  129    HZ3  TRP  16           HZ3      TRP  16   4.908   2.344  -4.353
  130    HH2  TRP  16           HH2      TRP  16   3.979   4.013  -2.833
  131    H    ARG  17           H        ARG  17   4.072   1.209 -10.347
  132    HA   ARG  17           HA       ARG  17   2.639   0.691 -12.869
  133   1HB   ARG  17          1HB       ARG  17   5.577   0.165 -12.532
  134   2HB   ARG  17          2HB       ARG  17   4.653   0.349 -14.017
  135   1HG   ARG  17          1HG       ARG  17   5.238   2.565 -12.064
  136   2HG   ARG  17          2HG       ARG  17   6.127   2.262 -13.558
  137   1HD   ARG  17          1HD       ARG  17   3.261   3.110 -13.232
  138   2HD   ARG  17          2HD       ARG  17   4.566   3.968 -14.051
  139    HE   ARG  17           HE       ARG  17   4.367   1.664 -15.453
  140   1HH1  ARG  17          1HH1      ARG  17   2.056   4.079 -14.480
  141   2HH1  ARG  17          2HH1      ARG  17   1.031   3.840 -15.856
  142   1HH2  ARG  17          1HH2      ARG  17   3.026   1.340 -17.269
  143   2HH2  ARG  17          2HH2      ARG  17   1.584   2.281 -17.442
  144    H    LYS  18           H        LYS  18   2.101  -1.376 -13.310
  145    HA   LYS  18           HA       LYS  18   3.072  -3.455 -11.461
  146   1HB   LYS  18          1HB       LYS  18   0.862  -4.556 -11.739
  147   2HB   LYS  18          2HB       LYS  18   0.760  -2.986 -10.954
  148   1HG   LYS  18          1HG       LYS  18   0.362  -2.210 -13.472
  149   2HG   LYS  18          2HG       LYS  18  -0.246  -3.862 -13.592
  150   1HD   LYS  18          1HD       LYS  18  -1.390  -3.013 -11.264
  151   2HD   LYS  18          2HD       LYS  18  -1.374  -1.529 -12.220
  152   1HE   LYS  18          1HE       LYS  18  -3.447  -2.698 -12.598
  153   2HE   LYS  18          2HE       LYS  18  -2.473  -2.753 -14.066
  154   1HZ   LYS  18          1HZ       LYS  18  -1.976  -4.988 -12.357
  155   2HZ   LYS  18          2HZ       LYS  18  -2.408  -4.960 -13.992
  156   3HZ   LYS  18          3HZ       LYS  18  -3.606  -4.890 -12.800
  157    H    ASN  19           H        ASN  19   3.586  -5.449 -12.309
  158    HA   ASN  19           HA       ASN  19   4.154  -5.486 -15.145
  159   1HB   ASN  19          1HB       ASN  19   4.886  -7.183 -12.797
  160   2HB   ASN  19          2HB       ASN  19   5.004  -7.884 -14.409
  161   1HD2  ASN  19          2HD2      ASN  19   6.509  -5.982 -12.086
  162   2HD2  ASN  19          1HD2      ASN  19   7.819  -5.396 -13.047
  163    H    GLU  20           H        GLU  20   1.838  -6.858 -12.950
  164    HA   GLU  20           HA       GLU  20   0.765  -8.549 -15.104
  165   1HB   GLU  20          1HB       GLU  20   0.647  -8.718 -12.117
  166   2HB   GLU  20          2HB       GLU  20  -0.624  -9.462 -13.076
  167   1HG   GLU  20          1HG       GLU  20   1.143 -10.725 -14.301
  168   2HG   GLU  20          2HG       GLU  20   2.316 -10.085 -13.151
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1   2.346  -0.531   0.795
    2    HA   LYS   1           HA       LYS   1   2.004   1.197  -1.460
    3   1HB   LYS   1          1HB       LYS   1   4.089  -0.732  -0.540
    4   2HB   LYS   1          2HB       LYS   1   4.102  -0.226  -2.224
    5   1HG   LYS   1          1HG       LYS   1   4.575   1.976  -1.696
    6   2HG   LYS   1          2HG       LYS   1   3.985   1.811  -0.041
    7   1HD   LYS   1          1HD       LYS   1   5.897   0.381   0.497
    8   2HD   LYS   1          2HD       LYS   1   6.485   0.542  -1.160
    9   1HE   LYS   1          1HE       LYS   1   6.820   2.906  -0.864
   10   2HE   LYS   1          2HE       LYS   1   6.069   2.854   0.730
   11   1HZ   LYS   1          1HZ       LYS   1   8.397   1.146   0.239
   12   2HZ   LYS   1          2HZ       LYS   1   7.900   1.908   1.665
   13   3HZ   LYS   1          3HZ       LYS   1   8.659   2.804   0.447
   14    H    ALA   2           H        ALA   2   0.876   0.767  -3.227
   15    HA   ALA   2           HA       ALA   2  -0.330  -1.732  -3.739
   16   1HB   ALA   2          1HB       ALA   2  -0.335   0.908  -4.917
   17   2HB   ALA   2          2HB       ALA   2  -0.357  -0.354  -6.149
   18   3HB   ALA   2          3HB       ALA   2  -1.600  -0.321  -4.898
   19    H    TRP   3           H        TRP   3   1.826  -0.068  -6.023
   20    HA   TRP   3           HA       TRP   3   3.258  -2.603  -6.430
   21   1HB   TRP   3          1HB       TRP   3   2.728  -0.859  -8.794
   22   2HB   TRP   3          2HB       TRP   3   2.972  -2.601  -8.717
   23    HD1  TRP   3           HD1      TRP   3   0.746  -3.788  -7.163
   24    HE1  TRP   3           HE1      TRP   3  -1.745  -3.447  -7.715
   25    HE3  TRP   3           HE3      TRP   3   1.102   0.518  -9.896
   26    HZ2  TRP   3           HZ2      TRP   3  -3.347  -1.598  -9.123
   27    HZ3  TRP   3           HZ3      TRP   3  -0.957   1.508 -10.810
   28    HH2  TRP   3           HH2      TRP   3  -3.134   0.470 -10.431
   29    H    THR   4           H        THR   4   4.901  -1.634  -8.520
   30    HA   THR   4           HA       THR   4   7.001  -0.488  -7.093
   31    HB   THR   4           HB       THR   4   6.638  -0.218 -10.078
   32    HG1  THR   4           HG1      THR   4   6.374  -2.370  -9.732
   33   1HG2  THR   4          1HG2      THR   4   9.173  -0.591  -9.930
   34   2HG2  THR   4          2HG2      THR   4   8.995  -0.222  -8.215
   35   3HG2  THR   4          3HG2      THR   4   8.548   0.978  -9.426
   36    H    TRP   5           H        TRP   5   7.990   1.603  -7.277
   37    HA   TRP   5           HA       TRP   5   6.089   3.753  -7.948
   38   1HB   TRP   5          1HB       TRP   5   6.246   3.603  -5.536
   39   2HB   TRP   5          2HB       TRP   5   8.006   3.618  -5.613
   40    HD1  TRP   5           HD1      TRP   5   9.159   5.927  -5.503
   41    HE1  TRP   5           HE1      TRP   5   8.340   8.367  -5.487
   42    HE3  TRP   5           HE3      TRP   5   4.225   5.135  -6.582
   43    HZ2  TRP   5           HZ2      TRP   5   5.922   9.771  -5.879
   44    HZ3  TRP   5           HZ3      TRP   5   2.726   7.079  -6.743
   45    HH2  TRP   5           HH2      TRP   5   3.559   9.348  -6.398
   46    H    THR   6           H        THR   6   7.005   4.094  -9.977
   47    HA   THR   6           HA       THR   6   9.723   5.234  -9.929
   48    HB   THR   6           HB       THR   6   9.569   3.043 -11.154
   49    HG1  THR   6           HG1      THR   6  11.246   4.085 -11.959
   50   1HG2  THR   6          1HG2      THR   6   7.281   4.216 -12.263
   51   2HG2  THR   6          2HG2      THR   6   8.015   2.676 -12.710
   52   3HG2  THR   6          3HG2      THR   6   8.459   4.148 -13.573
   53    H    TRP   7           H        TRP   7  10.090   6.678 -11.914
   54    HA   TRP   7           HA       TRP   7   8.167   8.773 -11.827
   55   1HB   TRP   7          1HB       TRP   7  10.395   9.476 -12.107
   56   2HB   TRP   7          2HB       TRP   7  10.690   8.319 -13.402
   57    HD1  TRP   7           HD1      TRP   7  10.961   9.531 -15.627
   58    HE1  TRP   7           HE1      TRP   7   9.898  11.581 -16.765
   59    HE3  TRP   7           HE3      TRP   7   7.768  10.964 -11.901
   60    HZ2  TRP   7           HZ2      TRP   7   7.963  13.545 -16.163
   61    HZ3  TRP   7           HZ3      TRP   7   6.346  12.939 -12.261
   62    HH2  TRP   7           HH2      TRP   7   6.443  14.202 -14.348
   63    H    ASN   8           H        ASN   8   6.505   9.217 -13.140
   64    HA   ASN   8           HA       ASN   8   6.206   7.581 -15.573
   65   1HB   ASN   8          1HB       ASN   8   4.581   7.311 -13.515
   66   2HB   ASN   8          2HB       ASN   8   3.837   8.764 -14.177
   67   1HD2  ASN   8          2HD2      ASN   8   2.284   8.454 -15.589
   68   2HD2  ASN   8          1HD2      ASN   8   2.050   7.040 -16.555
   69    HA   PRO   9           HA       PRO   9   6.513  11.873 -17.109
   70   1HB   PRO   9          1HB       PRO   9   7.523  11.150 -19.524
   71   2HB   PRO   9          2HB       PRO   9   8.526  11.338 -18.080
   72   1HG   PRO   9          1HG       PRO   9   7.420   8.841 -19.306
   73   2HG   PRO   9          2HG       PRO   9   9.038   9.142 -18.647
   74   1HD   PRO   9          1HD       PRO   9   7.123   7.823 -17.261
   75   2HD   PRO   9          2HD       PRO   9   8.345   8.839 -16.470
   76    H    ALA  10           H        ALA  10   4.822   9.067 -18.127
   77    HA   ALA  10           HA       ALA  10   3.590   9.848 -20.476
   78   1HB   ALA  10          1HB       ALA  10   2.341   8.004 -20.214
   79   2HB   ALA  10          2HB       ALA  10   3.381   7.701 -18.822
   80   3HB   ALA  10          3HB       ALA  10   1.810   8.471 -18.598
   81    H    THR  11           H        THR  11   2.802  10.717 -17.154
   82    HA   THR  11           HA       THR  11   0.790  12.606 -18.193
   83    HB   THR  11           HB       THR  11  -0.336  12.472 -16.003
   84    HG1  THR  11           HG1      THR  11   1.841  10.788 -15.468
   85   1HG2  THR  11          1HG2      THR  11  -0.688  10.823 -18.034
   86   2HG2  THR  11          2HG2      THR  11  -1.535  10.579 -16.507
   87   3HG2  THR  11          3HG2      THR  11  -0.094   9.633 -16.876
   88    H    GLY  12           H        GLY  12   3.500  12.102 -16.035
   89   1HA   GLY  12          1HA       GLY  12   5.037  13.974 -15.746
   90   2HA   GLY  12          2HA       GLY  12   3.633  15.027 -15.652
   91    H    LYS  13           H        LYS  13   2.940  12.225 -14.015
   92    HA   LYS  13           HA       LYS  13   3.987  13.260 -11.469
   93   1HB   LYS  13          1HB       LYS  13   1.840  12.692 -10.390
   94   2HB   LYS  13          2HB       LYS  13   1.664  13.947 -11.609
   95   1HG   LYS  13          1HG       LYS  13   0.863  12.236 -13.202
   96   2HG   LYS  13          2HG       LYS  13   0.949  11.038 -11.909
   97   1HD   LYS  13          1HD       LYS  13  -1.286  11.695 -11.892
   98   2HD   LYS  13          2HD       LYS  13  -0.567  12.659 -10.600
   99   1HE   LYS  13          1HE       LYS  13  -0.243  14.464 -12.386
  100   2HE   LYS  13          2HE       LYS  13  -1.362  13.519 -13.366
  101   1HZ   LYS  13          1HZ       LYS  13  -3.103  14.134 -12.119
  102   2HZ   LYS  13          2HZ       LYS  13  -2.113  15.422 -11.648
  103   3HZ   LYS  13          3HZ       LYS  13  -2.247  14.054 -10.662
  104    H    TRP  14           H        TRP  14   4.918  11.769 -10.210
  105    HA   TRP  14           HA       TRP  14   5.560   9.232 -11.077
  106   1HB   TRP  14          1HB       TRP  14   5.360  10.284  -8.249
  107   2HB   TRP  14          2HB       TRP  14   6.105   8.746  -8.676
  108    HD1  TRP  14           HD1      TRP  14   6.568  12.511  -9.496
  109    HE1  TRP  14           HE1      TRP  14   9.080  12.937  -9.860
  110    HE3  TRP  14           HE3      TRP  14   8.279   7.717  -9.029
  111    HZ2  TRP  14           HZ2      TRP  14  11.471  11.438  -9.939
  112    HZ3  TRP  14           HZ3      TRP  14  10.692   7.298  -9.263
  113    HH2  TRP  14           HH2      TRP  14  12.254   9.121  -9.709
  114    H    THR  15           H        THR  15   4.108   7.751 -11.682
  115    HA   THR  15           HA       THR  15   1.837   7.206  -9.886
  116    HB   THR  15           HB       THR  15   0.669   6.244 -11.791
  117    HG1  THR  15           HG1      THR  15   1.691   6.497 -13.903
  118   1HG2  THR  15          1HG2      THR  15  -0.080   8.265 -12.377
  119   2HG2  THR  15          2HG2      THR  15   1.442   8.666 -13.173
  120   3HG2  THR  15          3HG2      THR  15   1.251   8.947 -11.443
  121    H    TRP  16           H        TRP  16   1.175   4.969  -9.652
  122    HA   TRP  16           HA       TRP  16   3.428   3.246  -9.227
  123   1HB   TRP  16          1HB       TRP  16   0.498   2.548  -8.976
  124   2HB   TRP  16          2HB       TRP  16   1.859   1.723  -8.222
  125    HD1  TRP  16           HD1      TRP  16  -0.406   4.745  -7.816
  126    HE1  TRP  16           HE1      TRP  16   0.031   5.818  -5.517
  127    HE3  TRP  16           HE3      TRP  16   3.737   2.079  -6.450
  128    HZ2  TRP  16           HZ2      TRP  16   1.887   5.568  -3.405
  129    HZ3  TRP  16           HZ3      TRP  16   4.783   2.558  -4.275
  130    HH2  TRP  16           HH2      TRP  16   3.876   4.267  -2.786
  131    H    ARG  17           H        ARG  17   3.936   1.335 -10.260
  132    HA   ARG  17           HA       ARG  17   2.497   0.807 -12.776
  133   1HB   ARG  17          1HB       ARG  17   5.423   0.226 -12.429
  134   2HB   ARG  17          2HB       ARG  17   4.504   0.413 -13.917
  135   1HG   ARG  17          1HG       ARG  17   5.137   2.637 -11.988
  136   2HG   ARG  17          2HG       ARG  17   6.018   2.299 -13.479
  137   1HD   ARG  17          1HD       ARG  17   3.173   3.215 -13.159
  138   2HD   ARG  17          2HD       ARG  17   4.495   4.032 -13.991
  139    HE   ARG  17           HE       ARG  17   4.252   1.732 -15.376
  140   1HH1  ARG  17          1HH1      ARG  17   1.956   4.155 -14.385
  141   2HH1  ARG  17          2HH1      ARG  17   0.913   3.909 -15.747
  142   1HH2  ARG  17          1HH2      ARG  17   2.887   1.400 -17.172
  143   2HH2  ARG  17          2HH2      ARG  17   1.443   2.341 -17.331
  144    H    LYS  18           H        LYS  18   1.919  -1.254 -13.188
  145    HA   LYS  18           HA       LYS  18   2.844  -3.324 -11.304
  146   1HB   LYS  18          1HB       LYS  18   0.616  -4.387 -11.574
  147   2HB   LYS  18          2HB       LYS  18   0.538  -2.801 -10.819
  148   1HG   LYS  18          1HG       LYS  18   0.175  -2.076 -13.364
  149   2HG   LYS  18          2HG       LYS  18  -0.483  -3.713 -13.435
  150   1HD   LYS  18          1HD       LYS  18  -1.616  -2.785 -11.146
  151   2HD   LYS  18          2HD       LYS  18  -1.526  -1.306 -12.106
  152   1HE   LYS  18          1HE       LYS  18  -2.761  -3.906 -13.011
  153   2HE   LYS  18          2HE       LYS  18  -3.653  -2.506 -12.419
  154   1HZ   LYS  18          1HZ       LYS  18  -2.172  -2.825 -14.943
  155   2HZ   LYS  18          2HZ       LYS  18  -2.407  -1.281 -14.296
  156   3HZ   LYS  18          3HZ       LYS  18  -3.740  -2.243 -14.692
  157    H    ASN  19           H        ASN  19   3.356  -5.324 -12.120
  158    HA   ASN  19           HA       ASN  19   3.403  -5.529 -15.059
  159   1HB   ASN  19          1HB       ASN  19   5.340  -6.448 -12.953
  160   2HB   ASN  19          2HB       ASN  19   5.301  -7.227 -14.532
  161   1HD2  ASN  19          2HD2      ASN  19   6.509  -6.380 -16.068
  162   2HD2  ASN  19          1HD2      ASN  19   7.180  -4.787 -16.066
  163    H    GLU  20           H        GLU  20   1.202  -6.394 -14.858
  164    HA   GLU  20           HA       GLU  20   1.274  -9.277 -14.278
  165   1HB   GLU  20          1HB       GLU  20   0.020  -7.748 -12.573
  166   2HB   GLU  20          2HB       GLU  20  -1.221  -7.681 -13.816
  167   1HG   GLU  20          1HG       GLU  20  -1.429 -10.100 -13.767
  168   2HG   GLU  20          2HG       GLU  20  -0.150 -10.197 -12.559
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1   1.924  -1.209   0.498
    2    HA   LYS   1           HA       LYS   1   1.212   1.185  -1.064
    3   1HB   LYS   1          1HB       LYS   1   3.208   0.753  -2.474
    4   2HB   LYS   1          2HB       LYS   1   3.615   1.168  -0.814
    5   1HG   LYS   1          1HG       LYS   1   5.023  -0.584  -1.108
    6   2HG   LYS   1          2HG       LYS   1   3.603  -1.463  -0.537
    7   1HD   LYS   1          1HD       LYS   1   3.032  -2.163  -2.707
    8   2HD   LYS   1          2HD       LYS   1   4.098  -0.975  -3.461
    9   1HE   LYS   1          1HE       LYS   1   5.122  -3.134  -3.643
   10   2HE   LYS   1          2HE       LYS   1   6.037  -2.183  -2.474
   11   1HZ   LYS   1          1HZ       LYS   1   4.139  -3.484  -0.990
   12   2HZ   LYS   1          2HZ       LYS   1   5.777  -3.887  -1.098
   13   3HZ   LYS   1          3HZ       LYS   1   4.652  -4.646  -2.107
   14    H    ALA   2           H        ALA   2   1.422   0.531  -3.542
   15    HA   ALA   2           HA       ALA   2  -0.265  -1.854  -3.855
   16   1HB   ALA   2          1HB       ALA   2  -0.307   0.790  -5.012
   17   2HB   ALA   2          2HB       ALA   2  -0.283  -0.455  -6.261
   18   3HB   ALA   2          3HB       ALA   2  -1.545  -0.466  -5.029
   19    H    TRP   3           H        TRP   3   1.878  -0.159  -6.128
   20    HA   TRP   3           HA       TRP   3   3.341  -2.676  -6.537
   21   1HB   TRP   3          1HB       TRP   3   2.810  -0.925  -8.895
   22   2HB   TRP   3          2HB       TRP   3   3.067  -2.666  -8.824
   23    HD1  TRP   3           HD1      TRP   3   0.844  -3.890  -7.310
   24    HE1  TRP   3           HE1      TRP   3  -1.647  -3.562  -7.867
   25    HE3  TRP   3           HE3      TRP   3   1.175   0.461  -9.973
   26    HZ2  TRP   3           HZ2      TRP   3  -3.259  -1.704  -9.254
   27    HZ3  TRP   3           HZ3      TRP   3  -0.888   1.448 -10.882
   28    HH2  TRP   3           HH2      TRP   3  -3.058   0.386 -10.529
   29    H    THR   4           H        THR   4   4.989  -1.683  -8.609
   30    HA   THR   4           HA       THR   4   7.069  -0.526  -7.165
   31    HB   THR   4           HB       THR   4   6.721  -0.231 -10.149
   32    HG1  THR   4           HG1      THR   4   7.545  -2.472  -8.603
   33   1HG2  THR   4          1HG2      THR   4   9.267  -0.623  -9.961
   34   2HG2  THR   4          2HG2      THR   4   9.052  -0.207  -8.260
   35   3HG2  THR   4          3HG2      THR   4   8.626   0.957  -9.513
   36    H    TRP   5           H        TRP   5   8.043   1.577  -7.340
   37    HA   TRP   5           HA       TRP   5   6.122   3.713  -7.995
   38   1HB   TRP   5          1HB       TRP   5   6.280   3.551  -5.585
   39   2HB   TRP   5          2HB       TRP   5   8.040   3.578  -5.660
   40    HD1  TRP   5           HD1      TRP   5   9.178   5.893  -5.535
   41    HE1  TRP   5           HE1      TRP   5   8.344   8.328  -5.503
   42    HE3  TRP   5           HE3      TRP   5   4.250   5.077  -6.622
   43    HZ2  TRP   5           HZ2      TRP   5   5.918   9.719  -5.887
   44    HZ3  TRP   5           HZ3      TRP   5   2.739   7.014  -6.771
   45    HH2  TRP   5           HH2      TRP   5   3.558   9.286  -6.411
   46    H    THR   6           H        THR   6   7.047   4.043 -10.031
   47    HA   THR   6           HA       THR   6   9.751   5.217  -9.973
   48    HB   THR   6           HB       THR   6   9.616   3.034 -11.211
   49    HG1  THR   6           HG1      THR   6  11.168   4.720 -11.714
   50   1HG2  THR   6          1HG2      THR   6   8.055   2.660 -12.759
   51   2HG2  THR   6          2HG2      THR   6   8.491   4.134 -13.624
   52   3HG2  THR   6          3HG2      THR   6   7.315   4.196 -12.311
   53    H    TRP   7           H        TRP   7  10.104   6.674 -11.955
   54    HA   TRP   7           HA       TRP   7   8.168   8.756 -11.851
   55   1HB   TRP   7          1HB       TRP   7  10.392   9.474 -12.135
   56   2HB   TRP   7          2HB       TRP   7  10.689   8.326 -13.437
   57    HD1  TRP   7           HD1      TRP   7  10.929   9.541 -15.664
   58    HE1  TRP   7           HE1      TRP   7   9.856  11.595 -16.783
   59    HE3  TRP   7           HE3      TRP   7   7.777  10.961 -11.898
   60    HZ2  TRP   7           HZ2      TRP   7   7.928  13.558 -16.153
   61    HZ3  TRP   7           HZ3      TRP   7   6.352  12.939 -12.236
   62    HH2  TRP   7           HH2      TRP   7   6.428  14.209 -14.320
   63    H    ASN   8           H        ASN   8   6.532   9.244 -13.192
   64    HA   ASN   8           HA       ASN   8   6.228   7.608 -15.625
   65   1HB   ASN   8          1HB       ASN   8   4.607   7.330 -13.546
   66   2HB   ASN   8          2HB       ASN   8   3.836   8.750 -14.247
   67   1HD2  ASN   8          2HD2      ASN   8   2.299   8.368 -15.658
   68   2HD2  ASN   8          1HD2      ASN   8   2.110   6.930 -16.598
   69    HA   PRO   9           HA       PRO   9   6.488  11.915 -17.122
   70   1HB   PRO   9          1HB       PRO   9   7.475  11.222 -19.554
   71   2HB   PRO   9          2HB       PRO   9   8.493  11.400 -18.120
   72   1HG   PRO   9          1HG       PRO   9   7.386   8.911 -19.360
   73   2HG   PRO   9          2HG       PRO   9   9.010   9.213 -18.715
   74   1HD   PRO   9          1HD       PRO   9   7.116   7.869 -17.322
   75   2HD   PRO   9          2HD       PRO   9   8.342   8.883 -16.534
   76    H    ALA  10           H        ALA  10   4.780   9.121 -18.122
   77    HA   ALA  10           HA       ALA  10   3.527   9.898 -20.461
   78   1HB   ALA  10          1HB       ALA  10   2.377   8.010 -20.185
   79   2HB   ALA  10          2HB       ALA  10   3.282   7.795 -18.686
   80   3HB   ALA  10          3HB       ALA  10   1.693   8.559 -18.654
   81    H    THR  11           H        THR  11   2.751  10.761 -17.129
   82    HA   THR  11           HA       THR  11   0.761  12.677 -18.161
   83    HB   THR  11           HB       THR  11  -0.253  12.560 -15.844
   84    HG1  THR  11           HG1      THR  11   0.268  10.497 -14.768
   85   1HG2  THR  11          1HG2      THR  11  -1.168  11.396 -17.864
   86   2HG2  THR  11          2HG2      THR  11  -1.565  10.615 -16.334
   87   3HG2  THR  11          3HG2      THR  11  -0.293   9.951 -17.358
   88    H    GLY  12           H        GLY  12   3.465  12.136 -16.005
   89   1HA   GLY  12          1HA       GLY  12   5.016  13.997 -15.710
   90   2HA   GLY  12          2HA       GLY  12   3.619  15.057 -15.598
   91    H    LYS  13           H        LYS  13   2.932  12.233 -13.988
   92    HA   LYS  13           HA       LYS  13   3.989  13.244 -11.436
   93   1HB   LYS  13          1HB       LYS  13   1.871  12.746 -10.339
   94   2HB   LYS  13          2HB       LYS  13   1.628  13.905 -11.639
   95   1HG   LYS  13          1HG       LYS  13   0.869  12.041 -13.088
   96   2HG   LYS  13          2HG       LYS  13   0.991  10.963 -11.695
   97   1HD   LYS  13          1HD       LYS  13  -0.541  12.722 -10.540
   98   2HD   LYS  13          2HD       LYS  13  -0.917  13.215 -12.193
   99   1HE   LYS  13          1HE       LYS  13  -1.890  11.167 -12.712
  100   2HE   LYS  13          2HE       LYS  13  -1.075  10.335 -11.388
  101   1HZ   LYS  13          1HZ       LYS  13  -2.575  12.204 -10.123
  102   2HZ   LYS  13          2HZ       LYS  13  -2.995  10.577 -10.313
  103   3HZ   LYS  13          3HZ       LYS  13  -3.581  11.734 -11.399
  104    H    TRP  14           H        TRP  14   4.928  11.742 -10.196
  105    HA   TRP  14           HA       TRP  14   5.575   9.218 -11.091
  106   1HB   TRP  14          1HB       TRP  14   5.376  10.236  -8.251
  107   2HB   TRP  14          2HB       TRP  14   6.125   8.705  -8.697
  108    HD1  TRP  14           HD1      TRP  14   6.576  12.481  -9.475
  109    HE1  TRP  14           HE1      TRP  14   9.086  12.918  -9.838
  110    HE3  TRP  14           HE3      TRP  14   8.302   7.686  -9.067
  111    HZ2  TRP  14           HZ2      TRP  14  11.481  11.427  -9.939
  112    HZ3  TRP  14           HZ3      TRP  14  10.716   7.277  -9.310
  113    HH2  TRP  14           HH2      TRP  14  12.271   9.110  -9.738
  114    H    THR  15           H        THR  15   4.135   7.728 -11.703
  115    HA   THR  15           HA       THR  15   1.864   7.162  -9.914
  116    HB   THR  15           HB       THR  15   0.702   6.209 -11.828
  117    HG1  THR  15           HG1      THR  15   2.527   5.475 -13.007
  118   1HG2  THR  15          1HG2      THR  15   1.330   8.928 -11.491
  119   2HG2  THR  15          2HG2      THR  15  -0.061   8.242 -12.331
  120   3HG2  THR  15          3HG2      THR  15   1.412   8.618 -13.225
  121    H    TRP  16           H        TRP  16   1.212   4.920  -9.698
  122    HA   TRP  16           HA       TRP  16   3.472   3.203  -9.283
  123   1HB   TRP  16          1HB       TRP  16   0.544   2.490  -9.045
  124   2HB   TRP  16          2HB       TRP  16   1.908   1.665  -8.294
  125    HD1  TRP  16           HD1      TRP  16  -0.375   4.670  -7.868
  126    HE1  TRP  16           HE1      TRP  16   0.053   5.728  -5.560
  127    HE3  TRP  16           HE3      TRP  16   3.783   2.019  -6.517
  128    HZ2  TRP  16           HZ2      TRP  16   1.908   5.473  -3.448
  129    HZ3  TRP  16           HZ3      TRP  16   4.823   2.488  -4.337
  130    HH2  TRP  16           HH2      TRP  16   3.904   4.179  -2.836
  131    H    ARG  17           H        ARG  17   4.006   1.319 -10.342
  132    HA   ARG  17           HA       ARG  17   2.567   0.797 -12.860
  133   1HB   ARG  17          1HB       ARG  17   5.497   0.235 -12.521
  134   2HB   ARG  17          2HB       ARG  17   4.576   0.436 -14.006
  135   1HG   ARG  17          1HG       ARG  17   5.205   2.636 -12.048
  136   2HG   ARG  17          2HG       ARG  17   6.074   2.326 -13.552
  137   1HD   ARG  17          1HD       ARG  17   3.228   3.224 -13.191
  138   2HD   ARG  17          2HD       ARG  17   4.538   4.056 -14.027
  139    HE   ARG  17           HE       ARG  17   4.289   1.775 -15.439
  140   1HH1  ARG  17          1HH1      ARG  17   1.990   4.168 -14.386
  141   2HH1  ARG  17          2HH1      ARG  17   0.930   3.933 -15.737
  142   1HH2  ARG  17          1HH2      ARG  17   2.902   1.457 -17.222
  143   2HH2  ARG  17          2HH2      ARG  17   1.449   2.390 -17.349
  144    H    LYS  18           H        LYS  18   2.017  -1.269 -13.298
  145    HA   LYS  18           HA       LYS  18   2.954  -3.344 -11.427
  146   1HB   LYS  18          1HB       LYS  18   0.738  -4.429 -11.717
  147   2HB   LYS  18          2HB       LYS  18   0.641  -2.851 -10.947
  148   1HG   LYS  18          1HG       LYS  18   0.287  -2.114 -13.496
  149   2HG   LYS  18          2HG       LYS  18  -0.370  -3.751 -13.568
  150   1HD   LYS  18          1HD       LYS  18  -1.520  -2.851 -11.291
  151   2HD   LYS  18          2HD       LYS  18  -1.401  -1.348 -12.209
  152   1HE   LYS  18          1HE       LYS  18  -2.591  -3.889 -13.304
  153   2HE   LYS  18          2HE       LYS  18  -3.539  -2.627 -12.520
  154   1HZ   LYS  18          1HZ       LYS  18  -3.719  -1.918 -14.641
  155   2HZ   LYS  18          2HZ       LYS  18  -2.275  -2.641 -15.143
  156   3HZ   LYS  18          3HZ       LYS  18  -2.237  -1.175 -14.300
  157    H    ASN  19           H        ASN  19   3.484  -5.336 -12.258
  158    HA   ASN  19           HA       ASN  19   3.587  -5.497 -15.196
  159   1HB   ASN  19          1HB       ASN  19   5.768  -5.438 -13.865
  160   2HB   ASN  19          2HB       ASN  19   5.340  -7.048 -13.293
  161   1HD2  ASN  19          2HD2      ASN  19   7.638  -6.835 -14.588
  162   2HD2  ASN  19          1HD2      ASN  19   7.532  -7.495 -16.181
  163    H    GLU  20           H        GLU  20   1.247  -6.231 -13.845
  164    HA   GLU  20           HA       GLU  20   1.271  -9.155 -14.213
  165   1HB   GLU  20          1HB       GLU  20  -0.176  -7.478 -12.177
  166   2HB   GLU  20          2HB       GLU  20  -0.744  -9.085 -12.608
  167   1HG   GLU  20          1HG       GLU  20   1.949  -8.395 -11.455
  168   2HG   GLU  20          2HG       GLU  20   0.609  -9.165 -10.607
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1   0.609   0.482   0.532
    2    HA   LYS   1           HA       LYS   1   1.952   1.562  -1.859
    3   1HB   LYS   1          1HB       LYS   1   3.439   0.715   0.070
    4   2HB   LYS   1          2HB       LYS   1   2.899  -0.892  -0.399
    5   1HG   LYS   1          1HG       LYS   1   3.810  -0.563  -2.631
    6   2HG   LYS   1          2HG       LYS   1   4.323   1.067  -2.189
    7   1HD   LYS   1          1HD       LYS   1   5.752   0.085  -0.417
    8   2HD   LYS   1          2HD       LYS   1   5.298  -1.523  -0.985
    9   1HE   LYS   1          1HE       LYS   1   6.158  -0.742  -3.271
   10   2HE   LYS   1          2HE       LYS   1   6.919   0.580  -2.387
   11   1HZ   LYS   1          1HZ       LYS   1   8.595  -0.911  -2.290
   12   2HZ   LYS   1          2HZ       LYS   1   7.580  -2.258  -2.416
   13   3HZ   LYS   1          3HZ       LYS   1   7.745  -1.460  -0.934
   14    H    ALA   2           H        ALA   2   1.648   0.501  -3.763
   15    HA   ALA   2           HA       ALA   2  -0.099  -1.874  -3.690
   16   1HB   ALA   2          1HB       ALA   2  -0.081  -0.039  -6.042
   17   2HB   ALA   2          2HB       ALA   2  -1.364  -1.091  -5.443
   18   3HB   ALA   2          3HB       ALA   2  -0.989   0.411  -4.599
   19    H    TRP   3           H        TRP   3   1.939  -0.186  -6.086
   20    HA   TRP   3           HA       TRP   3   3.338  -2.724  -6.571
   21   1HB   TRP   3          1HB       TRP   3   2.777  -0.937  -8.894
   22   2HB   TRP   3          2HB       TRP   3   3.007  -2.683  -8.850
   23    HD1  TRP   3           HD1      TRP   3   0.803  -3.890  -7.297
   24    HE1  TRP   3           HE1      TRP   3  -1.696  -3.513  -7.787
   25    HE3  TRP   3           HE3      TRP   3   1.139   0.491  -9.911
   26    HZ2  TRP   3           HZ2      TRP   3  -3.311  -1.611  -9.107
   27    HZ3  TRP   3           HZ3      TRP   3  -0.929   1.524 -10.753
   28    HH2  TRP   3           HH2      TRP   3  -3.107   0.493 -10.358
   29    H    THR   4           H        THR   4   4.949  -1.732  -8.674
   30    HA   THR   4           HA       THR   4   7.083  -0.626  -7.268
   31    HB   THR   4           HB       THR   4   6.669  -0.294 -10.239
   32    HG1  THR   4           HG1      THR   4   6.842  -2.390 -10.414
   33   1HG2  THR   4          1HG2      THR   4   8.610   0.855  -9.632
   34   2HG2  THR   4          2HG2      THR   4   9.211  -0.730 -10.118
   35   3HG2  THR   4          3HG2      THR   4   9.046  -0.337  -8.407
   36    H    TRP   5           H        TRP   5   8.089   1.463  -7.450
   37    HA   TRP   5           HA       TRP   5   6.186   3.636  -8.033
   38   1HB   TRP   5          1HB       TRP   5   6.409   3.448  -5.630
   39   2HB   TRP   5          2HB       TRP   5   8.166   3.448  -5.755
   40    HD1  TRP   5           HD1      TRP   5   9.344   5.744  -5.639
   41    HE1  TRP   5           HE1      TRP   5   8.551   8.191  -5.563
   42    HE3  TRP   5           HE3      TRP   5   4.376   5.016  -6.599
   43    HZ2  TRP   5           HZ2      TRP   5   6.138   9.624  -5.868
   44    HZ3  TRP   5           HZ3      TRP   5   2.893   6.978  -6.690
   45    HH2  TRP   5           HH2      TRP   5   3.757   9.233  -6.331
   46    H    THR   6           H        THR   6   7.063   3.959 -10.094
   47    HA   THR   6           HA       THR   6   9.786   5.090 -10.103
   48    HB   THR   6           HB       THR   6   9.576   2.924 -11.358
   49    HG1  THR   6           HG1      THR   6  11.234   3.973 -12.197
   50   1HG2  THR   6          1HG2      THR   6   7.960   2.592 -12.858
   51   2HG2  THR   6          2HG2      THR   6   8.399   4.063 -13.726
   52   3HG2  THR   6          3HG2      THR   6   7.264   4.140 -12.379
   53    H    TRP   7           H        TRP   7  10.109   6.564 -12.074
   54    HA   TRP   7           HA       TRP   7   8.211   8.677 -11.894
   55   1HB   TRP   7          1HB       TRP   7  10.437   9.364 -12.227
   56   2HB   TRP   7          2HB       TRP   7  10.684   8.225 -13.548
   57    HD1  TRP   7           HD1      TRP   7  10.884   9.455 -15.770
   58    HE1  TRP   7           HE1      TRP   7   9.818  11.540 -16.840
   59    HE3  TRP   7           HE3      TRP   7   7.860  10.895 -11.908
   60    HZ2  TRP   7           HZ2      TRP   7   7.944  13.531 -16.140
   61    HZ3  TRP   7           HZ3      TRP   7   6.463  12.901 -12.188
   62    HH2  TRP   7           HH2      TRP   7   6.506  14.190 -14.261
   63    H    ASN   8           H        ASN   8   6.546   9.203 -13.184
   64    HA   ASN   8           HA       ASN   8   6.155   7.604 -15.629
   65   1HB   ASN   8          1HB       ASN   8   4.584   7.333 -13.507
   66   2HB   ASN   8          2HB       ASN   8   3.815   8.765 -14.185
   67   1HD2  ASN   8          2HD2      ASN   8   2.121   8.285 -15.360
   68   2HD2  ASN   8          1HD2      ASN   8   1.939   6.902 -16.379
   69    HA   PRO   9           HA       PRO   9   6.446  11.923 -17.082
   70   1HB   PRO   9          1HB       PRO   9   7.356  11.245 -19.548
   71   2HB   PRO   9          2HB       PRO   9   8.414  11.389 -18.140
   72   1HG   PRO   9          1HG       PRO   9   7.233   8.933 -19.379
   73   2HG   PRO   9          2HG       PRO   9   8.879   9.200 -18.774
   74   1HD   PRO   9          1HD       PRO   9   7.001   7.871 -17.347
   75   2HD   PRO   9          2HD       PRO   9   8.264   8.855 -16.580
   76    H    ALA  10           H        ALA  10   4.679   9.163 -18.091
   77    HA   ALA  10           HA       ALA  10   3.374   9.989 -20.378
   78   1HB   ALA  10          1HB       ALA  10   1.619   8.648 -18.457
   79   2HB   ALA  10          2HB       ALA  10   2.110   8.163 -20.080
   80   3HB   ALA  10          3HB       ALA  10   3.169   7.844 -18.707
   81    H    THR  11           H        THR  11   2.710  10.842 -17.022
   82    HA   THR  11           HA       THR  11   0.724  12.799 -17.982
   83    HB   THR  11           HB       THR  11  -0.262  12.676 -15.672
   84    HG1  THR  11           HG1      THR  11   1.148  10.226 -15.434
   85   1HG2  THR  11          1HG2      THR  11  -1.344  10.421 -16.060
   86   2HG2  THR  11          2HG2      THR  11  -0.264  10.238 -17.442
   87   3HG2  THR  11          3HG2      THR  11  -1.435  11.556 -17.406
   88    H    GLY  12           H        GLY  12   3.459  12.184 -15.879
   89   1HA   GLY  12          1HA       GLY  12   5.056  14.016 -15.615
   90   2HA   GLY  12          2HA       GLY  12   3.681  15.099 -15.455
   91    H    LYS  13           H        LYS  13   2.985  12.270 -13.858
   92    HA   LYS  13           HA       LYS  13   4.124  13.234 -11.324
   93   1HB   LYS  13          1HB       LYS  13   2.011  12.707 -10.186
   94   2HB   LYS  13          2HB       LYS  13   1.794  13.951 -11.410
   95   1HG   LYS  13          1HG       LYS  13   0.953  12.199 -12.957
   96   2HG   LYS  13          2HG       LYS  13   1.041  11.045 -11.624
   97   1HD   LYS  13          1HD       LYS  13  -0.425  12.730 -10.346
   98   2HD   LYS  13          2HD       LYS  13  -0.744  13.439 -11.931
   99   1HE   LYS  13          1HE       LYS  13  -1.204  10.545 -11.217
  100   2HE   LYS  13          2HE       LYS  13  -2.454  11.788 -11.215
  101   1HZ   LYS  13          1HZ       LYS  13  -2.054  12.137 -13.575
  102   2HZ   LYS  13          2HZ       LYS  13  -2.477  10.529 -13.270
  103   3HZ   LYS  13          3HZ       LYS  13  -0.864  10.935 -13.575
  104    H    TRP  14           H        TRP  14   5.068  11.703 -10.125
  105    HA   TRP  14           HA       TRP  14   5.647   9.177 -11.064
  106   1HB   TRP  14          1HB       TRP  14   5.542  10.166  -8.209
  107   2HB   TRP  14          2HB       TRP  14   6.253   8.629  -8.692
  108    HD1  TRP  14           HD1      TRP  14   6.746  12.406  -9.435
  109    HE1  TRP  14           HE1      TRP  14   9.252  12.807  -9.863
  110    HE3  TRP  14           HE3      TRP  14   8.401   7.579  -9.137
  111    HZ2  TRP  14           HZ2      TRP  14  11.618  11.278 -10.050
  112    HZ3  TRP  14           HZ3      TRP  14  10.800   7.133  -9.453
  113    HH2  TRP  14           HH2      TRP  14  12.373   8.945  -9.900
  114    H    THR  15           H        THR  15   4.167   7.717 -11.650
  115    HA   THR  15           HA       THR  15   1.938   7.169  -9.804
  116    HB   THR  15           HB       THR  15   0.701   6.265 -11.696
  117    HG1  THR  15           HG1      THR  15   1.607   6.390 -13.795
  118   1HG2  THR  15          1HG2      THR  15  -0.035   8.302 -12.256
  119   2HG2  THR  15          2HG2      THR  15   1.498   8.728 -13.016
  120   3HG2  THR  15          3HG2      THR  15   1.285   8.940 -11.278
  121    H    TRP  16           H        TRP  16   1.267   4.947  -9.563
  122    HA   TRP  16           HA       TRP  16   3.500   3.182  -9.254
  123   1HB   TRP  16          1HB       TRP  16   0.570   2.510  -8.942
  124   2HB   TRP  16          2HB       TRP  16   1.942   1.659  -8.238
  125    HD1  TRP  16           HD1      TRP  16  -0.283   4.694  -7.719
  126    HE1  TRP  16           HE1      TRP  16   0.221   5.719  -5.413
  127    HE3  TRP  16           HE3      TRP  16   3.864   1.962  -6.505
  128    HZ2  TRP  16           HZ2      TRP  16   2.124   5.411  -3.351
  129    HZ3  TRP  16           HZ3      TRP  16   4.967   2.389  -4.347
  130    HH2  TRP  16           HH2      TRP  16   4.114   4.078  -2.805
  131    H    ARG  17           H        ARG  17   3.965   1.298 -10.349
  132    HA   ARG  17           HA       ARG  17   2.448   0.838 -12.833
  133   1HB   ARG  17          1HB       ARG  17   5.376   0.222 -12.584
  134   2HB   ARG  17          2HB       ARG  17   4.417   0.455 -14.040
  135   1HG   ARG  17          1HG       ARG  17   5.131   2.623 -12.077
  136   2HG   ARG  17          2HG       ARG  17   5.962   2.315 -13.603
  137   1HD   ARG  17          1HD       ARG  17   3.140   3.255 -13.168
  138   2HD   ARG  17          2HD       ARG  17   4.444   4.073 -14.029
  139    HE   ARG  17           HE       ARG  17   4.108   1.789 -15.439
  140   1HH1  ARG  17          1HH1      ARG  17   1.928   4.282 -14.365
  141   2HH1  ARG  17          2HH1      ARG  17   0.845   4.093 -15.705
  142   1HH2  ARG  17          1HH2      ARG  17   2.691   1.531 -17.207
  143   2HH2  ARG  17          2HH2      ARG  17   1.280   2.527 -17.320
  144    H    LYS  18           H        LYS  18   1.852  -1.213 -13.284
  145    HA   LYS  18           HA       LYS  18   2.800  -3.329 -11.464
  146   1HB   LYS  18          1HB       LYS  18   0.560  -4.373 -11.720
  147   2HB   LYS  18          2HB       LYS  18   0.508  -2.807 -10.923
  148   1HG   LYS  18          1HG       LYS  18   0.114  -2.037 -13.465
  149   2HG   LYS  18          2HG       LYS  18  -0.595  -3.652 -13.520
  150   1HD   LYS  18          1HD       LYS  18  -1.665  -2.749 -11.221
  151   2HD   LYS  18          2HD       LYS  18  -1.496  -1.226 -12.097
  152   1HE   LYS  18          1HE       LYS  18  -3.682  -2.198 -12.505
  153   2HE   LYS  18          2HE       LYS  18  -2.728  -2.194 -13.988
  154   1HZ   LYS  18          1HZ       LYS  18  -4.035  -4.304 -13.302
  155   2HZ   LYS  18          2HZ       LYS  18  -2.726  -4.580 -12.269
  156   3HZ   LYS  18          3HZ       LYS  18  -2.475  -4.462 -13.938
  157    H    ASN  19           H        ASN  19   3.340  -5.286 -12.336
  158    HA   ASN  19           HA       ASN  19   3.103  -5.547 -15.261
  159   1HB   ASN  19          1HB       ASN  19   5.451  -6.440 -13.573
  160   2HB   ASN  19          2HB       ASN  19   5.305  -6.594 -15.322
  161   1HD2  ASN  19          2HD2      ASN  19   5.696  -4.854 -16.612
  162   2HD2  ASN  19          1HD2      ASN  19   6.313  -3.351 -16.023
  163    H    GLU  20           H        GLU  20   1.090  -6.668 -14.321
  164    HA   GLU  20           HA       GLU  20   1.727  -9.443 -13.579
  165   1HB   GLU  20          1HB       GLU  20  -0.557  -9.595 -12.728
  166   2HB   GLU  20          2HB       GLU  20   0.299  -8.254 -11.980
  167   1HG   GLU  20          1HG       GLU  20  -0.821  -6.696 -13.496
  168   2HG   GLU  20          2HG       GLU  20  -1.690  -8.043 -14.229
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1   0.732   0.936   0.379
    2    HA   LYS   1           HA       LYS   1   2.572   0.629  -1.730
    3   1HB   LYS   1          1HB       LYS   1   1.803  -1.388   0.388
    4   2HB   LYS   1          2HB       LYS   1   3.267  -1.418  -0.586
    5   1HG   LYS   1          1HG       LYS   1   2.624   0.912   1.183
    6   2HG   LYS   1          2HG       LYS   1   3.419  -0.533   1.810
    7   1HD   LYS   1          1HD       LYS   1   5.077  -0.208  -0.130
    8   2HD   LYS   1          2HD       LYS   1   4.406   1.421  -0.243
    9   1HE   LYS   1          1HE       LYS   1   6.377   1.470   1.140
   10   2HE   LYS   1          2HE       LYS   1   4.959   1.769   2.143
   11   1HZ   LYS   1          1HZ       LYS   1   6.171  -0.919   1.862
   12   2HZ   LYS   1          2HZ       LYS   1   5.059  -0.394   3.024
   13   3HZ   LYS   1          3HZ       LYS   1   6.652   0.174   3.061
   14    H    ALA   2           H        ALA   2   1.343   0.465  -3.646
   15    HA   ALA   2           HA       ALA   2  -0.287  -1.946  -3.974
   16   1HB   ALA   2          1HB       ALA   2  -0.323   0.710  -5.110
   17   2HB   ALA   2          2HB       ALA   2  -0.342  -0.530  -6.365
   18   3HB   ALA   2          3HB       ALA   2  -1.576  -0.531  -5.106
   19    H    TRP   3           H        TRP   3   1.841  -0.237  -6.253
   20    HA   TRP   3           HA       TRP   3   3.267  -2.766  -6.723
   21   1HB   TRP   3          1HB       TRP   3   2.738  -0.959  -9.039
   22   2HB   TRP   3          2HB       TRP   3   2.973  -2.704  -9.008
   23    HD1  TRP   3           HD1      TRP   3   0.749  -3.932  -7.499
   24    HE1  TRP   3           HE1      TRP   3  -1.743  -3.560  -8.024
   25    HE3  TRP   3           HE3      TRP   3   1.111   0.472 -10.070
   26    HZ2  TRP   3           HZ2      TRP   3  -3.343  -1.652  -9.354
   27    HZ3  TRP   3           HZ3      TRP   3  -0.947   1.505 -10.936
   28    HH2  TRP   3           HH2      TRP   3  -3.127   0.463 -10.585
   29    H    THR   4           H        THR   4   4.906  -1.749  -8.795
   30    HA   THR   4           HA       THR   4   7.019  -0.655  -7.346
   31    HB   THR   4           HB       THR   4   6.646  -0.293 -10.320
   32    HG1  THR   4           HG1      THR   4   7.469  -2.369 -10.548
   33   1HG2  THR   4          1HG2      THR   4   8.599   0.803  -9.844
   34   2HG2  THR   4          2HG2      THR   4   9.226  -0.834 -10.032
   35   3HG2  THR   4          3HG2      THR   4   8.933  -0.181  -8.421
   36    H    TRP   5           H        TRP   5   8.021   1.437  -7.487
   37    HA   TRP   5           HA       TRP   5   6.124   3.613  -8.075
   38   1HB   TRP   5          1HB       TRP   5   6.313   3.397  -5.671
   39   2HB   TRP   5          2HB       TRP   5   8.071   3.405  -5.771
   40    HD1  TRP   5           HD1      TRP   5   9.237   5.703  -5.604
   41    HE1  TRP   5           HE1      TRP   5   8.434   8.147  -5.514
   42    HE3  TRP   5           HE3      TRP   5   4.289   4.970  -6.661
   43    HZ2  TRP   5           HZ2      TRP   5   6.022   9.575  -5.847
   44    HZ3  TRP   5           HZ3      TRP   5   2.801   6.927  -6.756
   45    HH2  TRP   5           HH2      TRP   5   3.652   9.181  -6.357
   46    H    THR   6           H        THR   6   7.029   3.968 -10.117
   47    HA   THR   6           HA       THR   6   9.750   5.104 -10.071
   48    HB   THR   6           HB       THR   6   9.564   2.947 -11.351
   49    HG1  THR   6           HG1      THR   6  10.149   4.997 -13.189
   50   1HG2  THR   6          1HG2      THR   6   8.430   4.125 -13.726
   51   2HG2  THR   6          2HG2      THR   6   7.269   4.164 -12.398
   52   3HG2  THR   6          3HG2      THR   6   7.987   2.633 -12.897
   53    H    TRP   7           H        TRP   7  10.101   6.600 -12.019
   54    HA   TRP   7           HA       TRP   7   8.191   8.703 -11.853
   55   1HB   TRP   7          1HB       TRP   7  10.421   9.400 -12.140
   56   2HB   TRP   7          2HB       TRP   7  10.693   8.278 -13.470
   57    HD1  TRP   7           HD1      TRP   7  10.930   9.538 -15.671
   58    HE1  TRP   7           HE1      TRP   7   9.872  11.629 -16.736
   59    HE3  TRP   7           HE3      TRP   7   7.826  10.913 -11.849
   60    HZ2  TRP   7           HZ2      TRP   7   7.974  13.601 -16.046
   61    HZ3  TRP   7           HZ3      TRP   7   6.423  12.915 -12.131
   62    HH2  TRP   7           HH2      TRP   7   6.497  14.230 -14.187
   63    H    ASN   8           H        ASN   8   6.544   9.231 -13.163
   64    HA   ASN   8           HA       ASN   8   6.204   7.657 -15.632
   65   1HB   ASN   8          1HB       ASN   8   4.598   7.354 -13.541
   66   2HB   ASN   8          2HB       ASN   8   3.833   8.790 -14.214
   67   1HD2  ASN   8          2HD2      ASN   8   2.367   8.504 -15.736
   68   2HD2  ASN   8          1HD2      ASN   8   2.130   7.059 -16.653
   69    HA   PRO   9           HA       PRO   9   6.494  11.995 -17.031
   70   1HB   PRO   9          1HB       PRO   9   7.452  11.350 -19.487
   71   2HB   PRO   9          2HB       PRO   9   8.484  11.485 -18.059
   72   1HG   PRO   9          1HG       PRO   9   7.342   9.035 -19.346
   73   2HG   PRO   9          2HG       PRO   9   8.974   9.307 -18.709
   74   1HD   PRO   9          1HD       PRO   9   7.080   7.950 -17.331
   75   2HD   PRO   9          2HD       PRO   9   8.322   8.933 -16.530
   76    H    ALA  10           H        ALA  10   4.767   9.233 -18.108
   77    HA   ALA  10           HA       ALA  10   3.497  10.079 -20.407
   78   1HB   ALA  10          1HB       ALA  10   1.791   8.676 -18.449
   79   2HB   ALA  10          2HB       ALA  10   2.142   8.292 -20.135
   80   3HB   ALA  10          3HB       ALA  10   3.308   7.884 -18.876
   81    H    THR  11           H        THR  11   2.780  10.897 -17.055
   82    HA   THR  11           HA       THR  11   0.789  12.844 -18.026
   83    HB   THR  11           HB       THR  11  -0.195  12.690 -15.694
   84    HG1  THR  11           HG1      THR  11   1.247  10.237 -15.602
   85   1HG2  THR  11          1HG2      THR  11  -0.265  10.350 -17.589
   86   2HG2  THR  11          2HG2      THR  11  -1.415  11.681 -17.454
   87   3HG2  THR  11          3HG2      THR  11  -1.319  10.464 -16.180
   88    H    GLY  12           H        GLY  12   3.491  12.228 -15.879
   89   1HA   GLY  12          1HA       GLY  12   5.071  14.069 -15.571
   90   2HA   GLY  12          2HA       GLY  12   3.685  15.140 -15.425
   91    H    LYS  13           H        LYS  13   2.981  12.292 -13.867
   92    HA   LYS  13           HA       LYS  13   4.072  13.238 -11.305
   93   1HB   LYS  13          1HB       LYS  13   1.953  12.728 -10.201
   94   2HB   LYS  13          2HB       LYS  13   1.724  13.935 -11.459
   95   1HG   LYS  13          1HG       LYS  13   0.965  12.085 -12.968
   96   2HG   LYS  13          2HG       LYS  13   0.996  11.020 -11.560
   97   1HD   LYS  13          1HD       LYS  13  -0.682  12.299 -10.456
   98   2HD   LYS  13          2HD       LYS  13  -0.571  13.592 -11.654
   99   1HE   LYS  13          1HE       LYS  13  -1.286  10.835 -12.541
  100   2HE   LYS  13          2HE       LYS  13  -2.511  11.828 -11.753
  101   1HZ   LYS  13          1HZ       LYS  13  -2.677  13.174 -13.522
  102   2HZ   LYS  13          2HZ       LYS  13  -2.009  11.875 -14.374
  103   3HZ   LYS  13          3HZ       LYS  13  -1.019  13.145 -13.857
  104    H    TRP  14           H        TRP  14   5.004  11.700 -10.105
  105    HA   TRP  14           HA       TRP  14   5.611   9.186 -11.058
  106   1HB   TRP  14          1HB       TRP  14   5.452  10.149  -8.197
  107   2HB   TRP  14          2HB       TRP  14   6.177   8.618  -8.680
  108    HD1  TRP  14           HD1      TRP  14   6.670  12.403  -9.382
  109    HE1  TRP  14           HE1      TRP  14   9.182  12.815  -9.762
  110    HE3  TRP  14           HE3      TRP  14   8.336   7.578  -9.098
  111    HZ2  TRP  14           HZ2      TRP  14  11.555  11.296  -9.922
  112    HZ3  TRP  14           HZ3      TRP  14  10.741   7.143  -9.376
  113    HH2  TRP  14           HH2      TRP  14  12.316   8.964  -9.780
  114    H    THR  15           H        THR  15   4.146   7.728 -11.687
  115    HA   THR  15           HA       THR  15   1.888   7.151  -9.885
  116    HB   THR  15           HB       THR  15   0.693   6.254 -11.808
  117    HG1  THR  15           HG1      THR  15   2.525   5.544 -13.014
  118   1HG2  THR  15          1HG2      THR  15   1.371   8.963 -11.422
  119   2HG2  THR  15          2HG2      THR  15  -0.057   8.310 -12.224
  120   3HG2  THR  15          3HG2      THR  15   1.389   8.683 -13.162
  121    H    TRP  16           H        TRP  16   1.217   4.919  -9.694
  122    HA   TRP  16           HA       TRP  16   3.457   3.163  -9.355
  123   1HB   TRP  16          1HB       TRP  16   0.525   2.478  -9.092
  124   2HB   TRP  16          2HB       TRP  16   1.889   1.624  -8.376
  125    HD1  TRP  16           HD1      TRP  16  -0.350   4.651  -7.865
  126    HE1  TRP  16           HE1      TRP  16   0.115   5.655  -5.541
  127    HE3  TRP  16           HE3      TRP  16   3.781   1.914  -6.610
  128    HZ2  TRP  16           HZ2      TRP  16   1.986   5.330  -3.452
  129    HZ3  TRP  16           HZ3      TRP  16   4.849   2.322  -4.431
  130    HH2  TRP  16           HH2      TRP  16   3.969   3.996  -2.887
  131    H    ARG  17           H        ARG  17   3.945   1.288 -10.456
  132    HA   ARG  17           HA       ARG  17   2.468   0.843 -12.967
  133   1HB   ARG  17          1HB       ARG  17   5.394   0.233 -12.678
  134   2HB   ARG  17          2HB       ARG  17   4.458   0.477 -14.146
  135   1HG   ARG  17          1HG       ARG  17   5.135   2.629 -12.152
  136   2HG   ARG  17          2HG       ARG  17   5.991   2.336 -13.668
  137   1HD   ARG  17          1HD       ARG  17   3.159   3.265 -13.271
  138   2HD   ARG  17          2HD       ARG  17   4.475   4.095 -14.101
  139    HE   ARG  17           HE       ARG  17   4.183   1.839 -15.550
  140   1HH1  ARG  17          1HH1      ARG  17   1.934   4.258 -14.449
  141   2HH1  ARG  17          2HH1      ARG  17   0.865   4.066 -15.799
  142   1HH2  ARG  17          1HH2      ARG  17   2.784   1.577 -17.332
  143   2HH2  ARG  17          2HH2      ARG  17   1.349   2.541 -17.438
  144    H    LYS  18           H        LYS  18   1.886  -1.206 -13.444
  145    HA   LYS  18           HA       LYS  18   2.814  -3.334 -11.628
  146   1HB   LYS  18          1HB       LYS  18   0.582  -4.381 -11.914
  147   2HB   LYS  18          2HB       LYS  18   0.511  -2.815 -11.117
  148   1HG   LYS  18          1HG       LYS  18   0.152  -2.048 -13.666
  149   2HG   LYS  18          2HG       LYS  18  -0.551  -3.665 -13.729
  150   1HD   LYS  18          1HD       LYS  18  -1.665  -2.774 -11.452
  151   2HD   LYS  18          2HD       LYS  18  -1.473  -1.242 -12.308
  152   1HE   LYS  18          1HE       LYS  18  -2.858  -3.696 -13.387
  153   2HE   LYS  18          2HE       LYS  18  -3.664  -2.274 -12.727
  154   1HZ   LYS  18          1HZ       LYS  18  -2.588  -0.953 -14.487
  155   2HZ   LYS  18          2HZ       LYS  18  -3.629  -2.134 -15.104
  156   3HZ   LYS  18          3HZ       LYS  18  -1.955  -2.374 -15.153
  157    H    ASN  19           H        ASN  19   3.396  -5.268 -12.511
  158    HA   ASN  19           HA       ASN  19   3.544  -5.347 -15.441
  159   1HB   ASN  19          1HB       ASN  19   5.587  -5.612 -13.798
  160   2HB   ASN  19          2HB       ASN  19   5.016  -7.274 -13.689
  161   1HD2  ASN  19          2HD2      ASN  19   7.051  -7.844 -14.639
  162   2HD2  ASN  19          1HD2      ASN  19   7.262  -7.739 -16.351
  163    H    GLU  20           H        GLU  20   2.475  -7.175 -12.632
  164    HA   GLU  20           HA       GLU  20   0.970  -8.938 -14.445
  165   1HB   GLU  20          1HB       GLU  20   2.997 -10.027 -13.345
  166   2HB   GLU  20          2HB       GLU  20   2.134  -9.863 -11.823
  167   1HG   GLU  20          1HG       GLU  20   0.483 -11.376 -12.452
  168   2HG   GLU  20          2HG       GLU  20   0.883 -11.244 -14.163
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1   1.598   1.716  -0.099
    2    HA   LYS   1           HA       LYS   1   3.094   0.837  -1.819
    3   1HB   LYS   1          1HB       LYS   1   3.142   0.002   0.688
    4   2HB   LYS   1          2HB       LYS   1   2.651  -1.522  -0.039
    5   1HG   LYS   1          1HG       LYS   1   5.003  -1.581   0.149
    6   2HG   LYS   1          2HG       LYS   1   4.641  -1.320  -1.559
    7   1HD   LYS   1          1HD       LYS   1   6.270   0.259  -1.251
    8   2HD   LYS   1          2HD       LYS   1   4.841   1.217  -0.858
    9   1HE   LYS   1          1HE       LYS   1   5.270   0.409   1.564
   10   2HE   LYS   1          2HE       LYS   1   6.887   0.026   0.977
   11   1HZ   LYS   1          1HZ       LYS   1   6.892   2.417   0.131
   12   2HZ   LYS   1          2HZ       LYS   1   7.069   2.176   1.796
   13   3HZ   LYS   1          3HZ       LYS   1   5.577   2.665   1.167
   14    H    ALA   2           H        ALA   2   0.744   0.654  -3.165
   15    HA   ALA   2           HA       ALA   2  -0.282  -1.860  -3.730
   16   1HB   ALA   2          1HB       ALA   2  -0.308  -0.499  -6.163
   17   2HB   ALA   2          2HB       ALA   2  -1.578  -0.520  -4.939
   18   3HB   ALA   2          3HB       ALA   2  -0.365   0.760  -4.929
   19    H    TRP   3           H        TRP   3   1.882  -0.172  -5.995
   20    HA   TRP   3           HA       TRP   3   3.351  -2.689  -6.376
   21   1HB   TRP   3          1HB       TRP   3   2.821  -0.970  -8.758
   22   2HB   TRP   3          2HB       TRP   3   3.091  -2.708  -8.666
   23    HD1  TRP   3           HD1      TRP   3   0.869  -3.932  -7.151
   24    HE1  TRP   3           HE1      TRP   3  -1.621  -3.629  -7.725
   25    HE3  TRP   3           HE3      TRP   3   1.181   0.392  -9.860
   26    HZ2  TRP   3           HZ2      TRP   3  -3.239  -1.799  -9.140
   27    HZ3  TRP   3           HZ3      TRP   3  -0.884   1.353 -10.790
   28    HH2  TRP   3           HH2      TRP   3  -3.048   0.278 -10.437
   29    H    THR   4           H        THR   4   5.002  -1.708  -8.454
   30    HA   THR   4           HA       THR   4   7.068  -0.523  -7.013
   31    HB   THR   4           HB       THR   4   6.731  -0.268 -10.002
   32    HG1  THR   4           HG1      THR   4   6.535  -2.415  -9.731
   33   1HG2  THR   4          1HG2      THR   4   8.608   0.973  -9.254
   34   2HG2  THR   4          2HG2      THR   4   9.248  -0.546  -9.882
   35   3HG2  THR   4          3HG2      THR   4   9.100  -0.304  -8.142
   36    H    TRP   5           H        TRP   5   8.025   1.583  -7.192
   37    HA   TRP   5           HA       TRP   5   6.096   3.700  -7.887
   38   1HB   TRP   5          1HB       TRP   5   6.243   3.564  -5.474
   39   2HB   TRP   5          2HB       TRP   5   8.003   3.604  -5.542
   40    HD1  TRP   5           HD1      TRP   5   9.120   5.929  -5.424
   41    HE1  TRP   5           HE1      TRP   5   8.268   8.358  -5.427
   42    HE3  TRP   5           HE3      TRP   5   4.210   5.065  -6.555
   43    HZ2  TRP   5           HZ2      TRP   5   5.836   9.726  -5.853
   44    HZ3  TRP   5           HZ3      TRP   5   2.686   6.988  -6.741
   45    HH2  TRP   5           HH2      TRP   5   3.485   9.270  -6.397
   46    H    THR   6           H        THR   6   7.027   4.023  -9.919
   47    HA   THR   6           HA       THR   6   9.723   5.215  -9.860
   48    HB   THR   6           HB       THR   6   9.615   3.016 -11.072
   49    HG1  THR   6           HG1      THR   6  11.104   3.783 -12.399
   50   1HG2  THR   6          1HG2      THR   6   8.065   2.608 -12.623
   51   2HG2  THR   6          2HG2      THR   6   8.494   4.073 -13.505
   52   3HG2  THR   6          3HG2      THR   6   7.310   4.144 -12.201
   53    H    TRP   7           H        TRP   7  10.078   6.654 -11.851
   54    HA   TRP   7           HA       TRP   7   8.121   8.718 -11.788
   55   1HB   TRP   7          1HB       TRP   7  10.340   9.454 -12.060
   56   2HB   TRP   7          2HB       TRP   7  10.660   8.295 -13.348
   57    HD1  TRP   7           HD1      TRP   7  10.907   9.487 -15.586
   58    HE1  TRP   7           HE1      TRP   7   9.825  11.520 -16.735
   59    HE3  TRP   7           HE3      TRP   7   7.711  10.920 -11.861
   60    HZ2  TRP   7           HZ2      TRP   7   7.875  13.472 -16.142
   61    HZ3  TRP   7           HZ3      TRP   7   6.272  12.881 -12.232
   62    HH2  TRP   7           HH2      TRP   7   6.354  14.129 -14.328
   63    H    ASN   8           H        ASN   8   6.489   9.170 -13.146
   64    HA   ASN   8           HA       ASN   8   6.226   7.508 -15.566
   65   1HB   ASN   8          1HB       ASN   8   4.590   7.241 -13.491
   66   2HB   ASN   8          2HB       ASN   8   3.804   8.632 -14.233
   67   1HD2  ASN   8          2HD2      ASN   8   2.368   8.249 -15.761
   68   2HD2  ASN   8          1HD2      ASN   8   2.187   6.767 -16.630
   69    HA   PRO   9           HA       PRO   9   6.446  11.804 -17.100
   70   1HB   PRO   9          1HB       PRO   9   7.463  11.103 -19.517
   71   2HB   PRO   9          2HB       PRO   9   8.465  11.307 -18.076
   72   1HG   PRO   9          1HG       PRO   9   7.402   8.792 -19.303
   73   2HG   PRO   9          2HG       PRO   9   9.016   9.120 -18.646
   74   1HD   PRO   9          1HD       PRO   9   7.127   7.766 -17.258
   75   2HD   PRO   9          2HD       PRO   9   8.332   8.802 -16.468
   76    H    ALA  10           H        ALA  10   4.799   8.972 -18.114
   77    HA   ALA  10           HA       ALA  10   3.553   9.714 -20.462
   78   1HB   ALA  10          1HB       ALA  10   2.145   7.951 -20.131
   79   2HB   ALA  10          2HB       ALA  10   3.403   7.541 -18.964
   80   3HB   ALA  10          3HB       ALA  10   1.913   8.312 -18.420
   81    H    THR  11           H        THR  11   2.768  10.631 -17.153
   82    HA   THR  11           HA       THR  11   0.748  12.496 -18.218
   83    HB   THR  11           HB       THR  11  -0.295  12.393 -15.923
   84    HG1  THR  11           HG1      THR  11   0.272  10.319 -14.828
   85   1HG2  THR  11          1HG2      THR  11  -1.317  11.219 -17.775
   86   2HG2  THR  11          2HG2      THR  11  -1.413  10.215 -16.328
   87   3HG2  THR  11          3HG2      THR  11  -0.211   9.863 -17.569
   88    H    GLY  12           H        GLY  12   3.419  12.009 -15.999
   89   1HA   GLY  12          1HA       GLY  12   4.954  13.896 -15.728
   90   2HA   GLY  12          2HA       GLY  12   3.543  14.938 -15.639
   91    H    LYS  13           H        LYS  13   2.873  12.128 -14.004
   92    HA   LYS  13           HA       LYS  13   3.900  13.176 -11.455
   93   1HB   LYS  13          1HB       LYS  13   1.759  12.599 -10.380
   94   2HB   LYS  13          2HB       LYS  13   1.564  13.835 -11.616
   95   1HG   LYS  13          1HG       LYS  13   0.832  12.039 -13.187
   96   2HG   LYS  13          2HG       LYS  13   0.857  10.918 -11.824
   97   1HD   LYS  13          1HD       LYS  13  -0.832  12.177 -10.678
   98   2HD   LYS  13          2HD       LYS  13  -0.754  13.467 -11.881
   99   1HE   LYS  13          1HE       LYS  13  -2.703  12.101 -12.285
  100   2HE   LYS  13          2HE       LYS  13  -1.542  11.873 -13.593
  101   1HZ   LYS  13          1HZ       LYS  13  -1.480  10.028 -11.312
  102   2HZ   LYS  13          2HZ       LYS  13  -1.070   9.753 -12.930
  103   3HZ   LYS  13          3HZ       LYS  13  -2.696   9.840 -12.473
  104    H    TRP  14           H        TRP  14   4.843  11.696 -10.192
  105    HA   TRP  14           HA       TRP  14   5.517   9.167 -11.054
  106   1HB   TRP  14          1HB       TRP  14   5.289  10.216  -8.228
  107   2HB   TRP  14          2HB       TRP  14   6.053   8.686  -8.650
  108    HD1  TRP  14           HD1      TRP  14   6.481  12.456  -9.468
  109    HE1  TRP  14           HE1      TRP  14   8.991  12.908  -9.818
  110    HE3  TRP  14           HE3      TRP  14   8.240   7.679  -8.991
  111    HZ2  TRP  14           HZ2      TRP  14  11.398  11.434  -9.883
  112    HZ3  TRP  14           HZ3      TRP  14  10.659   7.286  -9.212
  113    HH2  TRP  14           HH2      TRP  14  12.203   9.125  -9.649
  114    H    THR  15           H        THR  15   4.095   7.660 -11.661
  115    HA   THR  15           HA       THR  15   1.816   7.093  -9.881
  116    HB   THR  15           HB       THR  15   0.676   6.108 -11.795
  117    HG1  THR  15           HG1      THR  15   1.653   6.186 -13.854
  118   1HG2  THR  15          1HG2      THR  15   1.303   8.483 -13.241
  119   2HG2  THR  15          2HG2      THR  15   1.336   8.853 -11.517
  120   3HG2  THR  15          3HG2      THR  15  -0.108   8.144 -12.240
  121    H    TRP  16           H        TRP  16   1.182   4.849  -9.643
  122    HA   TRP  16           HA       TRP  16   3.455   3.155  -9.203
  123   1HB   TRP  16          1HB       TRP  16   0.533   2.419  -8.960
  124   2HB   TRP  16          2HB       TRP  16   1.903   1.619  -8.195
  125    HD1  TRP  16           HD1      TRP  16  -0.402   4.618  -7.824
  126    HE1  TRP  16           HE1      TRP  16   0.005   5.709  -5.529
  127    HE3  TRP  16           HE3      TRP  16   3.756   2.002  -6.408
  128    HZ2  TRP  16           HZ2      TRP  16   1.845   5.489  -3.399
  129    HZ3  TRP  16           HZ3      TRP  16   4.779   2.503  -4.227
  130    HH2  TRP  16           HH2      TRP  16   3.842   4.212  -2.756
  131    H    ARG  17           H        ARG  17   4.002   1.261 -10.238
  132    HA   ARG  17           HA       ARG  17   2.570   0.699 -12.752
  133   1HB   ARG  17          1HB       ARG  17   5.501   0.154 -12.411
  134   2HB   ARG  17          2HB       ARG  17   4.578   0.350 -13.895
  135   1HG   ARG  17          1HG       ARG  17   5.204   2.555 -11.942
  136   2HG   ARG  17          2HG       ARG  17   6.075   2.244 -13.445
  137   1HD   ARG  17          1HD       ARG  17   3.229   3.141 -13.085
  138   2HD   ARG  17          2HD       ARG  17   4.537   3.968 -13.929
  139    HE   ARG  17           HE       ARG  17   4.282   1.677 -15.326
  140   1HH1  ARG  17          1HH1      ARG  17   1.993   4.085 -14.288
  141   2HH1  ARG  17          2HH1      ARG  17   0.931   3.846 -15.636
  142   1HH2  ARG  17          1HH2      ARG  17   2.893   1.353 -17.106
  143   2HH2  ARG  17          2HH2      ARG  17   1.444   2.291 -17.238
  144    H    LYS  18           H        LYS  18   2.044  -1.378 -13.172
  145    HA   LYS  18           HA       LYS  18   2.993  -3.424 -11.275
  146   1HB   LYS  18          1HB       LYS  18   0.789  -4.527 -11.538
  147   2HB   LYS  18          2HB       LYS  18   0.671  -2.931 -10.809
  148   1HG   LYS  18          1HG       LYS  18   0.326  -2.281 -13.392
  149   2HG   LYS  18          2HG       LYS  18  -0.340  -3.915 -13.393
  150   1HD   LYS  18          1HD       LYS  18  -1.503  -2.959 -11.171
  151   2HD   LYS  18          2HD       LYS  18  -1.331  -1.456 -12.082
  152   1HE   LYS  18          1HE       LYS  18  -2.566  -3.959 -13.215
  153   2HE   LYS  18          2HE       LYS  18  -3.498  -2.690 -12.422
  154   1HZ   LYS  18          1HZ       LYS  18  -1.776  -2.287 -14.807
  155   2HZ   LYS  18          2HZ       LYS  18  -2.763  -1.125 -14.076
  156   3HZ   LYS  18          3HZ       LYS  18  -3.459  -2.460 -14.848
  157    H    ASN  19           H        ASN  19   3.598  -5.388 -12.087
  158    HA   ASN  19           HA       ASN  19   4.463  -5.528 -14.755
  159   1HB   ASN  19          1HB       ASN  19   5.460  -6.826 -12.888
  160   2HB   ASN  19          2HB       ASN  19   4.009  -7.822 -12.834
  161   1HD2  ASN  19          2HD2      ASN  19   4.008  -9.609 -13.993
  162   2HD2  ASN  19          1HD2      ASN  19   5.085  -9.973 -15.294
  163    H    GLU  20           H        GLU  20   1.756  -7.179 -13.132
  164    HA   GLU  20           HA       GLU  20   0.781  -8.499 -15.410
  165   1HB   GLU  20          1HB       GLU  20  -0.339  -7.780 -12.742
  166   2HB   GLU  20          2HB       GLU  20  -1.457  -8.302 -13.994
  167   1HG   GLU  20          1HG       GLU  20  -0.944 -10.251 -12.844
  168   2HG   GLU  20          2HG       GLU  20   0.081 -10.320 -14.276
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1   0.743   0.573   0.553
    2    HA   LYS   1           HA       LYS   1   2.741   0.872  -1.546
    3   1HB   LYS   1          1HB       LYS   1   2.380  -1.009   0.764
    4   2HB   LYS   1          2HB       LYS   1   3.489  -1.410  -0.541
    5   1HG   LYS   1          1HG       LYS   1   3.705   1.256   0.768
    6   2HG   LYS   1          2HG       LYS   1   4.328  -0.170   1.602
    7   1HD   LYS   1          1HD       LYS   1   5.068   0.210  -1.252
    8   2HD   LYS   1          2HD       LYS   1   5.830   1.258  -0.054
    9   1HE   LYS   1          1HE       LYS   1   7.310  -0.495  -0.093
   10   2HE   LYS   1          2HE       LYS   1   6.236  -1.001   1.211
   11   1HZ   LYS   1          1HZ       LYS   1   5.399  -2.686  -0.008
   12   2HZ   LYS   1          2HZ       LYS   1   6.882  -2.573  -0.814
   13   3HZ   LYS   1          3HZ       LYS   1   5.503  -1.849  -1.475
   14    H    ALA   2           H        ALA   2   1.139   0.700  -3.272
   15    HA   ALA   2           HA       ALA   2  -0.225  -1.807  -3.660
   16   1HB   ALA   2          1HB       ALA   2  -0.275  -0.451  -6.079
   17   2HB   ALA   2          2HB       ALA   2  -1.513  -0.414  -4.823
   18   3HB   ALA   2          3HB       ALA   2  -0.259   0.825  -4.861
   19    H    TRP   3           H        TRP   3   1.912  -0.126  -5.951
   20    HA   TRP   3           HA       TRP   3   3.376  -2.645  -6.344
   21   1HB   TRP   3          1HB       TRP   3   2.833  -0.919  -8.717
   22   2HB   TRP   3          2HB       TRP   3   3.092  -2.659  -8.630
   23    HD1  TRP   3           HD1      TRP   3   0.874  -3.860  -7.081
   24    HE1  TRP   3           HE1      TRP   3  -1.619  -3.544  -7.637
   25    HE3  TRP   3           HE3      TRP   3   1.195   0.442  -9.823
   26    HZ2  TRP   3           HZ2      TRP   3  -3.235  -1.713  -9.052
   27    HZ3  TRP   3           HZ3      TRP   3  -0.871   1.411 -10.743
   28    HH2  TRP   3           HH2      TRP   3  -3.039   0.354 -10.365
   29    H    THR   4           H        THR   4   5.006  -1.656  -8.441
   30    HA   THR   4           HA       THR   4   7.089  -0.479  -7.011
   31    HB   THR   4           HB       THR   4   6.743  -0.221  -9.997
   32    HG1  THR   4           HG1      THR   4   7.921  -2.303  -9.956
   33   1HG2  THR   4          1HG2      THR   4   9.338  -0.769  -9.598
   34   2HG2  THR   4          2HG2      THR   4   8.978   0.043  -8.074
   35   3HG2  THR   4          3HG2      THR   4   8.695   0.872  -9.604
   36    H    TRP   5           H        TRP   5   8.062   1.625  -7.238
   37    HA   TRP   5           HA       TRP   5   6.133   3.744  -7.922
   38   1HB   TRP   5          1HB       TRP   5   6.283   3.619  -5.508
   39   2HB   TRP   5          2HB       TRP   5   8.042   3.653  -5.579
   40    HD1  TRP   5           HD1      TRP   5   9.180   5.980  -5.540
   41    HE1  TRP   5           HE1      TRP   5   8.331   8.409  -5.528
   42    HE3  TRP   5           HE3      TRP   5   4.234   5.115  -6.501
   43    HZ2  TRP   5           HZ2      TRP   5   5.887   9.778  -5.879
   44    HZ3  TRP   5           HZ3      TRP   5   2.707   7.038  -6.647
   45    HH2  TRP   5           HH2      TRP   5   3.518   9.321  -6.342
   46    H    THR   6           H        THR   6   7.068   4.039  -9.960
   47    HA   THR   6           HA       THR   6   9.766   5.228  -9.910
   48    HB   THR   6           HB       THR   6   9.645   3.021 -11.110
   49    HG1  THR   6           HG1      THR   6  11.272   3.914 -12.109
   50   1HG2  THR   6          1HG2      THR   6   8.099   2.617 -12.667
   51   2HG2  THR   6          2HG2      THR   6   8.531   4.083 -13.547
   52   3HG2  THR   6          3HG2      THR   6   7.347   4.153 -12.242
   53    H    TRP   7           H        TRP   7  10.107   6.611 -11.974
   54    HA   TRP   7           HA       TRP   7   8.197   8.718 -11.888
   55   1HB   TRP   7          1HB       TRP   7  10.425   9.394 -12.249
   56   2HB   TRP   7          2HB       TRP   7  10.668   8.210 -13.530
   57    HD1  TRP   7           HD1      TRP   7  10.883   9.384 -15.781
   58    HE1  TRP   7           HE1      TRP   7   9.796  11.417 -16.924
   59    HE3  TRP   7           HE3      TRP   7   7.807  10.898 -11.989
   60    HZ2  TRP   7           HZ2      TRP   7   7.887  13.401 -16.301
   61    HZ3  TRP   7           HZ3      TRP   7   6.383  12.873 -12.343
   62    HH2  TRP   7           HH2      TRP   7   6.424  14.098 -14.455
   63    H    ASN   8           H        ASN   8   6.542   9.195 -13.214
   64    HA   ASN   8           HA       ASN   8   6.158   7.485 -15.584
   65   1HB   ASN   8          1HB       ASN   8   4.590   7.240 -13.485
   66   2HB   ASN   8          2HB       ASN   8   3.830   8.690 -14.136
   67   1HD2  ASN   8          2HD2      ASN   8   2.108   8.240 -15.280
   68   2HD2  ASN   8          1HD2      ASN   8   1.892   6.871 -16.312
   69    HA   PRO   9           HA       PRO   9   6.418  11.749 -17.205
   70   1HB   PRO   9          1HB       PRO   9   7.354  10.983 -19.635
   71   2HB   PRO   9          2HB       PRO   9   8.400  11.195 -18.226
   72   1HG   PRO   9          1HG       PRO   9   7.257   8.678 -19.374
   73   2HG   PRO   9          2HG       PRO   9   8.895   8.989 -18.770
   74   1HD   PRO   9          1HD       PRO   9   7.021   7.696 -17.303
   75   2HD   PRO   9          2HD       PRO   9   8.267   8.724 -16.568
   76    H    ALA  10           H        ALA  10   4.682   8.935 -18.102
   77    HA   ALA  10           HA       ALA  10   3.386   9.663 -20.434
   78   1HB   ALA  10          1HB       ALA  10   1.453   8.372 -18.868
   79   2HB   ALA  10          2HB       ALA  10   2.541   7.646 -20.052
   80   3HB   ALA  10          3HB       ALA  10   3.009   7.722 -18.353
   81    H    THR  11           H        THR  11   2.678  10.597 -17.106
   82    HA   THR  11           HA       THR  11   0.665  12.489 -18.136
   83    HB   THR  11           HB       THR  11  -0.302  12.421 -15.798
   84    HG1  THR  11           HG1      THR  11   1.152   9.986 -15.587
   85   1HG2  THR  11          1HG2      THR  11  -1.376  10.140 -16.170
   86   2HG2  THR  11          2HG2      THR  11  -0.342  10.005 -17.593
   87   3HG2  THR  11          3HG2      THR  11  -1.526  11.308 -17.482
   88    H    GLY  12           H        GLY  12   3.421  11.996 -16.038
   89   1HA   GLY  12          1HA       GLY  12   4.972  13.866 -15.814
   90   2HA   GLY  12          2HA       GLY  12   3.575  14.924 -15.685
   91    H    LYS  13           H        LYS  13   2.919  12.140 -14.008
   92    HA   LYS  13           HA       LYS  13   4.049  13.188 -11.503
   93   1HB   LYS  13          1HB       LYS  13   1.973  12.785 -10.337
   94   2HB   LYS  13          2HB       LYS  13   1.662  13.839 -11.710
   95   1HG   LYS  13          1HG       LYS  13   0.786  11.964 -12.980
   96   2HG   LYS  13          2HG       LYS  13   1.144  10.873 -11.640
   97   1HD   LYS  13          1HD       LYS  13  -0.424  13.144 -10.771
   98   2HD   LYS  13          2HD       LYS  13  -1.225  12.267 -12.076
   99   1HE   LYS  13          1HE       LYS  13  -1.164  10.229 -10.850
  100   2HE   LYS  13          2HE       LYS  13  -0.091  10.920  -9.634
  101   1HZ   LYS  13          1HZ       LYS  13  -2.862  10.849  -9.599
  102   2HZ   LYS  13          2HZ       LYS  13  -2.440  12.471  -9.830
  103   3HZ   LYS  13          3HZ       LYS  13  -1.839  11.623  -8.496
  104    H    TRP  14           H        TRP  14   4.931  11.698 -10.188
  105    HA   TRP  14           HA       TRP  14   5.583   9.158 -11.069
  106   1HB   TRP  14          1HB       TRP  14   5.413  10.233  -8.249
  107   2HB   TRP  14          2HB       TRP  14   6.134   8.679  -8.662
  108    HD1  TRP  14           HD1      TRP  14   6.634  12.417  -9.598
  109    HE1  TRP  14           HE1      TRP  14   9.153  12.807  -9.959
  110    HE3  TRP  14           HE3      TRP  14   8.302   7.631  -8.927
  111    HZ2  TRP  14           HZ2      TRP  14  11.531  11.288  -9.960
  112    HZ3  TRP  14           HZ3      TRP  14  10.714   7.184  -9.126
  113    HH2  TRP  14           HH2      TRP  14  12.293   8.975  -9.633
  114    H    THR  15           H        THR  15   4.142   7.656 -11.641
  115    HA   THR  15           HA       THR  15   1.884   7.124  -9.824
  116    HB   THR  15           HB       THR  15   0.667   6.201 -11.699
  117    HG1  THR  15           HG1      THR  15   2.380   5.337 -12.907
  118   1HG2  THR  15          1HG2      THR  15   1.589   8.600 -13.089
  119   2HG2  THR  15          2HG2      THR  15   1.253   8.866 -11.378
  120   3HG2  THR  15          3HG2      THR  15  -0.001   8.214 -12.432
  121    H    TRP  16           H        TRP  16   1.257   4.913  -9.505
  122    HA   TRP  16           HA       TRP  16   3.493   3.183  -9.115
  123   1HB   TRP  16          1HB       TRP  16   0.563   2.473  -8.899
  124   2HB   TRP  16          2HB       TRP  16   1.919   1.645  -8.139
  125    HD1  TRP  16           HD1      TRP  16  -0.389   4.621  -7.708
  126    HE1  TRP  16           HE1      TRP  16   0.037   5.693  -5.407
  127    HE3  TRP  16           HE3      TRP  16   3.823   2.045  -6.379
  128    HZ2  TRP  16           HZ2      TRP  16   1.910   5.475  -3.307
  129    HZ3  TRP  16           HZ3      TRP  16   4.870   2.537  -4.208
  130    HH2  TRP  16           HH2      TRP  16   3.932   4.217  -2.705
  131    H    ARG  17           H        ARG  17   4.018   1.274 -10.146
  132    HA   ARG  17           HA       ARG  17   2.608   0.745 -12.679
  133   1HB   ARG  17          1HB       ARG  17   5.541   0.211 -12.303
  134   2HB   ARG  17          2HB       ARG  17   4.634   0.361 -13.801
  135   1HG   ARG  17          1HG       ARG  17   5.185   2.625 -11.895
  136   2HG   ARG  17          2HG       ARG  17   6.112   2.282 -13.357
  137   1HD   ARG  17          1HD       ARG  17   3.232   3.122 -13.135
  138   2HD   ARG  17          2HD       ARG  17   4.557   3.980 -13.920
  139    HE   ARG  17           HE       ARG  17   4.440   1.669 -15.303
  140   1HH1  ARG  17          1HH1      ARG  17   2.035   4.023 -14.411
  141   2HH1  ARG  17          2HH1      ARG  17   1.053   3.741 -15.810
  142   1HH2  ARG  17          1HH2      ARG  17   3.155   1.289 -17.149
  143   2HH2  ARG  17          2HH2      ARG  17   1.690   2.185 -17.366
  144    H    LYS  18           H        LYS  18   2.041  -1.317 -13.090
  145    HA   LYS  18           HA       LYS  18   2.984  -3.385 -11.213
  146   1HB   LYS  18          1HB       LYS  18   0.768  -4.469 -11.492
  147   2HB   LYS  18          2HB       LYS  18   0.671  -2.885 -10.735
  148   1HG   LYS  18          1HG       LYS  18   0.310  -2.159 -13.280
  149   2HG   LYS  18          2HG       LYS  18  -0.331  -3.802 -13.356
  150   1HD   LYS  18          1HD       LYS  18  -1.480  -2.888 -11.069
  151   2HD   LYS  18          2HD       LYS  18  -1.406  -1.410 -12.031
  152   1HE   LYS  18          1HE       LYS  18  -2.616  -4.028 -12.917
  153   2HE   LYS  18          2HE       LYS  18  -3.517  -2.621 -12.356
  154   1HZ   LYS  18          1HZ       LYS  18  -3.594  -2.179 -14.546
  155   2HZ   LYS  18          2HZ       LYS  18  -2.217  -3.090 -14.909
  156   3HZ   LYS  18          3HZ       LYS  18  -2.055  -1.527 -14.285
  157    H    ASN  19           H        ASN  19   3.489  -5.393 -12.033
  158    HA   ASN  19           HA       ASN  19   3.906  -5.481 -14.921
  159   1HB   ASN  19          1HB       ASN  19   4.948  -7.201 -12.663
  160   2HB   ASN  19          2HB       ASN  19   5.278  -7.522 -14.363
  161   1HD2  ASN  19          2HD2      ASN  19   7.443  -7.189 -14.310
  162   2HD2  ASN  19          1HD2      ASN  19   8.172  -5.656 -13.985
  163    H    GLU  20           H        GLU  20   1.406  -5.687 -14.918
  164    HA   GLU  20           HA       GLU  20   0.707  -8.548 -14.810
  165   1HB   GLU  20          1HB       GLU  20  -0.507  -6.869 -13.262
  166   2HB   GLU  20          2HB       GLU  20  -1.317  -6.327 -14.726
  167   1HG   GLU  20          1HG       GLU  20  -1.970  -8.760 -15.073
  168   2HG   GLU  20          2HG       GLU  20  -1.453  -9.016 -13.407
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1   1.819  -1.272   0.405
    2    HA   LYS   1           HA       LYS   1   1.572   1.013  -1.440
    3   1HB   LYS   1          1HB       LYS   1   3.696   0.126  -2.491
    4   2HB   LYS   1          2HB       LYS   1   3.876   0.844  -0.896
    5   1HG   LYS   1          1HG       LYS   1   3.794  -1.462   0.063
    6   2HG   LYS   1          2HG       LYS   1   3.841  -2.083  -1.589
    7   1HD   LYS   1          1HD       LYS   1   5.911  -0.131  -0.670
    8   2HD   LYS   1          2HD       LYS   1   6.051  -1.834  -0.228
    9   1HE   LYS   1          1HE       LYS   1   7.225  -1.825  -2.193
   10   2HE   LYS   1          2HE       LYS   1   5.610  -2.193  -2.797
   11   1HZ   LYS   1          1HZ       LYS   1   5.326  -0.031  -3.569
   12   2HZ   LYS   1          2HZ       LYS   1   6.931  -0.381  -3.972
   13   3HZ   LYS   1          3HZ       LYS   1   6.589   0.590  -2.630
   14    H    ALA   2           H        ALA   2   0.946   0.608  -3.525
   15    HA   ALA   2           HA       ALA   2  -0.418  -1.880  -3.994
   16   1HB   ALA   2          1HB       ALA   2  -1.682  -0.456  -5.142
   17   2HB   ALA   2          2HB       ALA   2  -0.424   0.780  -5.127
   18   3HB   ALA   2          3HB       ALA   2  -0.426  -0.461  -6.380
   19    H    TRP   3           H        TRP   3   1.775  -0.160  -6.204
   20    HA   TRP   3           HA       TRP   3   3.215  -2.683  -6.648
   21   1HB   TRP   3          1HB       TRP   3   2.716  -0.894  -8.985
   22   2HB   TRP   3          2HB       TRP   3   2.959  -2.638  -8.938
   23    HD1  TRP   3           HD1      TRP   3   0.712  -3.858  -7.447
   24    HE1  TRP   3           HE1      TRP   3  -1.771  -3.505  -8.025
   25    HE3  TRP   3           HE3      TRP   3   1.103   0.510 -10.073
   26    HZ2  TRP   3           HZ2      TRP   3  -3.354  -1.624  -9.411
   27    HZ3  TRP   3           HZ3      TRP   3  -0.943   1.521 -10.993
   28    HH2  TRP   3           HH2      TRP   3  -3.125   0.474 -10.668
   29    H    THR   4           H        THR   4   4.880  -1.659  -8.700
   30    HA   THR   4           HA       THR   4   6.955  -0.536  -7.216
   31    HB   THR   4           HB       THR   4   6.649  -0.204 -10.200
   32    HG1  THR   4           HG1      THR   4   7.950  -2.421  -9.062
   33   1HG2  THR   4          1HG2      THR   4   9.183  -0.622  -9.994
   34   2HG2  THR   4          2HG2      THR   4   8.959  -0.257  -8.283
   35   3HG2  THR   4          3HG2      THR   4   8.559   0.952  -9.503
   36    H    TRP   5           H        TRP   5   7.950   1.564  -7.382
   37    HA   TRP   5           HA       TRP   5   6.048   3.717  -8.038
   38   1HB   TRP   5          1HB       TRP   5   6.167   3.534  -5.627
   39   2HB   TRP   5          2HB       TRP   5   7.928   3.552  -5.675
   40    HD1  TRP   5           HD1      TRP   5   9.089   5.866  -5.575
   41    HE1  TRP   5           HE1      TRP   5   8.262   8.303  -5.512
   42    HE3  TRP   5           HE3      TRP   5   4.143   5.071  -6.597
   43    HZ2  TRP   5           HZ2      TRP   5   5.835   9.702  -5.851
   44    HZ3  TRP   5           HZ3      TRP   5   2.636   7.013  -6.710
   45    HH2  TRP   5           HH2      TRP   5   3.466   9.279  -6.343
   46    H    THR   6           H        THR   6   7.011   4.049 -10.058
   47    HA   THR   6           HA       THR   6   9.719   5.211  -9.947
   48    HB   THR   6           HB       THR   6   9.591   3.036 -11.201
   49    HG1  THR   6           HG1      THR   6  11.263   4.371 -11.766
   50   1HG2  THR   6          1HG2      THR   6   8.517   4.166 -13.625
   51   2HG2  THR   6          2HG2      THR   6   7.318   4.218 -12.333
   52   3HG2  THR   6          3HG2      THR   6   8.062   2.684 -12.786
   53    H    TRP   7           H        TRP   7  10.098   6.641 -11.972
   54    HA   TRP   7           HA       TRP   7   8.206   8.763 -11.858
   55   1HB   TRP   7          1HB       TRP   7  10.443   9.429 -12.176
   56   2HB   TRP   7          2HB       TRP   7  10.693   8.271 -13.480
   57    HD1  TRP   7           HD1      TRP   7  10.942   9.488 -15.705
   58    HE1  TRP   7           HE1      TRP   7   9.890  11.558 -16.815
   59    HE3  TRP   7           HE3      TRP   7   7.842  10.956 -11.913
   60    HZ2  TRP   7           HZ2      TRP   7   7.997  13.550 -16.169
   61    HZ3  TRP   7           HZ3      TRP   7   6.444  12.954 -12.240
   62    HH2  TRP   7           HH2      TRP   7   6.522  14.223 -14.324
   63    H    ASN   8           H        ASN   8   6.556   9.267 -13.175
   64    HA   ASN   8           HA       ASN   8   6.190   7.625 -15.595
   65   1HB   ASN   8          1HB       ASN   8   4.597   7.344 -13.522
   66   2HB   ASN   8          2HB       ASN   8   3.859   8.818 -14.142
   67   1HD2  ASN   8          2HD2      ASN   8   2.150   8.426 -15.325
   68   2HD2  ASN   8          1HD2      ASN   8   1.927   7.084 -16.391
   69    HA   PRO   9           HA       PRO   9   6.508  11.923 -17.113
   70   1HB   PRO   9          1HB       PRO   9   7.468  11.206 -19.548
   71   2HB   PRO   9          2HB       PRO   9   8.498  11.377 -18.122
   72   1HG   PRO   9          1HG       PRO   9   7.349   8.897 -19.343
   73   2HG   PRO   9          2HG       PRO   9   8.981   9.179 -18.710
   74   1HD   PRO   9          1HD       PRO   9   7.079   7.869 -17.298
   75   2HD   PRO   9          2HD       PRO   9   8.324   8.869 -16.523
   76    H    ALA  10           H        ALA  10   4.792   9.129 -18.144
   77    HA   ALA  10           HA       ALA  10   3.523   9.931 -20.457
   78   1HB   ALA  10          1HB       ALA  10   2.222   8.398 -18.212
   79   2HB   ALA  10          2HB       ALA  10   1.780   8.368 -19.919
   80   3HB   ALA  10          3HB       ALA  10   3.325   7.696 -19.396
   81    H    THR  11           H        THR  11   2.815  10.825 -17.127
   82    HA   THR  11           HA       THR  11   0.809  12.737 -18.134
   83    HB   THR  11           HB       THR  11  -0.158  12.629 -15.785
   84    HG1  THR  11           HG1      THR  11   1.079  10.097 -15.611
   85   1HG2  THR  11          1HG2      THR  11  -1.186  11.543 -17.767
   86   2HG2  THR  11          2HG2      THR  11  -1.496  10.673 -16.264
   87   3HG2  THR  11          3HG2      THR  11  -0.281  10.077 -17.394
   88    H    GLY  12           H        GLY  12   3.502  12.175 -15.954
   89   1HA   GLY  12          1HA       GLY  12   5.078  14.038 -15.705
   90   2HA   GLY  12          2HA       GLY  12   3.683  15.098 -15.563
   91    H    LYS  13           H        LYS  13   2.994  12.283 -13.956
   92    HA   LYS  13           HA       LYS  13   4.115  13.260 -11.419
   93   1HB   LYS  13          1HB       LYS  13   2.025  12.854 -10.279
   94   2HB   LYS  13          2HB       LYS  13   1.737  13.944 -11.629
   95   1HG   LYS  13          1HG       LYS  13   0.837  12.123 -12.947
   96   2HG   LYS  13          2HG       LYS  13   1.195  10.981 -11.649
   97   1HD   LYS  13          1HD       LYS  13  -0.385  13.269 -10.766
   98   2HD   LYS  13          2HD       LYS  13  -1.185  12.313 -12.015
   99   1HE   LYS  13          1HE       LYS  13  -1.876  11.200 -10.137
  100   2HE   LYS  13          2HE       LYS  13  -0.408  10.301 -10.515
  101   1HZ   LYS  13          1HZ       LYS  13  -0.939  11.345  -8.120
  102   2HZ   LYS  13          2HZ       LYS  13  -0.045  12.609  -8.801
  103   3HZ   LYS  13          3HZ       LYS  13   0.628  11.061  -8.691
  104    H    TRP  14           H        TRP  14   4.949  11.728 -10.115
  105    HA   TRP  14           HA       TRP  14   5.589   9.203 -11.055
  106   1HB   TRP  14          1HB       TRP  14   5.398  10.210  -8.211
  107   2HB   TRP  14          2HB       TRP  14   6.110   8.662  -8.656
  108    HD1  TRP  14           HD1      TRP  14   6.653  12.417  -9.490
  109    HE1  TRP  14           HE1      TRP  14   9.179  12.794  -9.814
  110    HE3  TRP  14           HE3      TRP  14   8.272   7.601  -8.925
  111    HZ2  TRP  14           HZ2      TRP  14  11.544  11.254  -9.829
  112    HZ3  TRP  14           HZ3      TRP  14  10.681   7.137  -9.109
  113    HH2  TRP  14           HH2      TRP  14  12.282   8.927  -9.552
  114    H    THR  15           H        THR  15   4.138   7.733 -11.679
  115    HA   THR  15           HA       THR  15   1.855   7.181  -9.898
  116    HB   THR  15           HB       THR  15   0.639   6.332 -11.802
  117    HG1  THR  15           HG1      THR  15   2.372   5.461 -12.998
  118   1HG2  THR  15          1HG2      THR  15   1.373   8.998 -11.469
  119   2HG2  THR  15          2HG2      THR  15   0.005   8.388 -12.401
  120   3HG2  THR  15          3HG2      THR  15   1.547   8.700 -13.198
  121    H    TRP  16           H        TRP  16   1.208   4.974  -9.627
  122    HA   TRP  16           HA       TRP  16   3.417   3.209  -9.266
  123   1HB   TRP  16          1HB       TRP  16   0.477   2.524  -9.102
  124   2HB   TRP  16          2HB       TRP  16   1.816   1.662  -8.348
  125    HD1  TRP  16           HD1      TRP  16  -0.469   4.647  -7.865
  126    HE1  TRP  16           HE1      TRP  16  -0.059   5.656  -5.533
  127    HE3  TRP  16           HE3      TRP  16   3.706   2.002  -6.559
  128    HZ2  TRP  16           HZ2      TRP  16   1.790   5.369  -3.420
  129    HZ3  TRP  16           HZ3      TRP  16   4.734   2.429  -4.364
  130    HH2  TRP  16           HH2      TRP  16   3.795   4.079  -2.829
  131    H    ARG  17           H        ARG  17   3.934   1.322 -10.341
  132    HA   ARG  17           HA       ARG  17   2.548   0.874 -12.902
  133   1HB   ARG  17          1HB       ARG  17   5.472   0.302 -12.509
  134   2HB   ARG  17          2HB       ARG  17   4.582   0.500 -14.013
  135   1HG   ARG  17          1HG       ARG  17   5.133   2.708 -12.041
  136   2HG   ARG  17          2HG       ARG  17   6.074   2.394 -13.501
  137   1HD   ARG  17          1HD       ARG  17   3.200   3.257 -13.289
  138   2HD   ARG  17          2HD       ARG  17   4.542   4.122 -14.037
  139    HE   ARG  17           HE       ARG  17   4.419   1.850 -15.483
  140   1HH1  ARG  17          1HH1      ARG  17   2.021   4.195 -14.551
  141   2HH1  ARG  17          2HH1      ARG  17   1.050   3.957 -15.966
  142   1HH2  ARG  17          1HH2      ARG  17   3.149   1.527 -17.350
  143   2HH2  ARG  17          2HH2      ARG  17   1.692   2.439 -17.557
  144    H    LYS  18           H        LYS  18   1.967  -1.172 -13.374
  145    HA   LYS  18           HA       LYS  18   2.870  -3.297 -11.541
  146   1HB   LYS  18          1HB       LYS  18   0.648  -4.353 -11.876
  147   2HB   LYS  18          2HB       LYS  18   0.556  -2.789 -11.076
  148   1HG   LYS  18          1HG       LYS  18   0.232  -1.991 -13.606
  149   2HG   LYS  18          2HG       LYS  18  -0.423  -3.625 -13.733
  150   1HD   LYS  18          1HD       LYS  18  -1.590  -2.761 -11.435
  151   2HD   LYS  18          2HD       LYS  18  -1.490  -1.258 -12.355
  152   1HE   LYS  18          1HE       LYS  18  -2.525  -3.741 -13.658
  153   2HE   LYS  18          2HE       LYS  18  -3.576  -2.805 -12.598
  154   1HZ   LYS  18          1HZ       LYS  18  -2.532  -0.897 -14.169
  155   2HZ   LYS  18          2HZ       LYS  18  -4.014  -1.662 -14.454
  156   3HZ   LYS  18          3HZ       LYS  18  -2.621  -2.192 -15.254
  157    H    ASN  19           H        ASN  19   3.390  -5.275 -12.408
  158    HA   ASN  19           HA       ASN  19   3.805  -5.300 -15.299
  159   1HB   ASN  19          1HB       ASN  19   5.771  -5.844 -14.060
  160   2HB   ASN  19          2HB       ASN  19   4.899  -6.999 -13.056
  161   1HD2  ASN  19          2HD2      ASN  19   5.147  -6.450 -16.554
  162   2HD2  ASN  19          1HD2      ASN  19   5.596  -8.072 -16.947
  163    H    GLU  20           H        GLU  20   2.467  -7.400 -12.756
  164    HA   GLU  20           HA       GLU  20   0.899  -8.770 -14.842
  165   1HB   GLU  20          1HB       GLU  20   0.833 -10.718 -13.340
  166   2HB   GLU  20          2HB       GLU  20   2.479 -10.279 -13.772
  167   1HG   GLU  20          1HG       GLU  20   2.685 -10.682 -11.527
  168   2HG   GLU  20          2HG       GLU  20   2.422  -8.939 -11.546
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1   0.511  -0.709   0.492
    2    HA   LYS   1           HA       LYS   1   1.478   1.251  -1.407
    3   1HB   LYS   1          1HB       LYS   1   3.416  -0.214  -2.068
    4   2HB   LYS   1          2HB       LYS   1   3.592   0.598  -0.518
    5   1HG   LYS   1          1HG       LYS   1   2.840  -1.504   0.589
    6   2HG   LYS   1          2HG       LYS   1   2.886  -2.288  -0.992
    7   1HD   LYS   1          1HD       LYS   1   5.189  -2.178  -1.126
    8   2HD   LYS   1          2HD       LYS   1   5.293  -0.816  -0.008
    9   1HE   LYS   1          1HE       LYS   1   4.341  -3.513   0.898
   10   2HE   LYS   1          2HE       LYS   1   6.060  -3.133   0.808
   11   1HZ   LYS   1          1HZ       LYS   1   5.545  -1.163   2.243
   12   2HZ   LYS   1          2HZ       LYS   1   5.369  -2.666   2.999
   13   3HZ   LYS   1          3HZ       LYS   1   4.002  -1.814   2.482
   14    H    ALA   2           H        ALA   2   1.684   0.280  -3.619
   15    HA   ALA   2           HA       ALA   2  -0.224  -1.944  -3.945
   16   1HB   ALA   2          1HB       ALA   2  -0.251   0.721  -5.051
   17   2HB   ALA   2          2HB       ALA   2  -0.248  -0.500  -6.324
   18   3HB   ALA   2          3HB       ALA   2  -1.500  -0.523  -5.082
   19    H    TRP   3           H        TRP   3   1.955  -0.217  -6.164
   20    HA   TRP   3           HA       TRP   3   3.384  -2.739  -6.640
   21   1HB   TRP   3          1HB       TRP   3   2.835  -0.956  -8.970
   22   2HB   TRP   3          2HB       TRP   3   3.091  -2.698  -8.926
   23    HD1  TRP   3           HD1      TRP   3   0.882  -3.940  -7.407
   24    HE1  TRP   3           HE1      TRP   3  -1.614  -3.602  -7.937
   25    HE3  TRP   3           HE3      TRP   3   1.192   0.447 -10.014
   26    HZ2  TRP   3           HZ2      TRP   3  -3.237  -1.725  -9.282
   27    HZ3  TRP   3           HZ3      TRP   3  -0.879   1.448 -10.889
   28    HH2  TRP   3           HH2      TRP   3  -3.046   0.382 -10.530
   29    H    THR   4           H        THR   4   5.014  -1.721  -8.717
   30    HA   THR   4           HA       THR   4   7.112  -0.590  -7.276
   31    HB   THR   4           HB       THR   4   6.740  -0.259 -10.254
   32    HG1  THR   4           HG1      THR   4   7.792  -2.503  -8.840
   33   1HG2  THR   4          1HG2      THR   4   9.326  -0.774  -9.952
   34   2HG2  THR   4          2HG2      THR   4   9.020  -0.101  -8.351
   35   3HG2  THR   4          3HG2      THR   4   8.681   0.859  -9.791
   36    H    TRP   5           H        TRP   5   8.091   1.512  -7.437
   37    HA   TRP   5           HA       TRP   5   6.170   3.661  -8.049
   38   1HB   TRP   5          1HB       TRP   5   6.356   3.471  -5.642
   39   2HB   TRP   5          2HB       TRP   5   8.114   3.496  -5.738
   40    HD1  TRP   5           HD1      TRP   5   9.257   5.808  -5.595
   41    HE1  TRP   5           HE1      TRP   5   8.427   8.243  -5.529
   42    HE3  TRP   5           HE3      TRP   5   4.317   5.012  -6.646
   43    HZ2  TRP   5           HZ2      TRP   5   6.000   9.642  -5.876
   44    HZ3  TRP   5           HZ3      TRP   5   2.808   6.952  -6.759
   45    HH2  TRP   5           HH2      TRP   5   3.634   9.218  -6.382
   46    H    THR   6           H        THR   6   7.074   4.008 -10.092
   47    HA   THR   6           HA       THR   6   9.782   5.175 -10.052
   48    HB   THR   6           HB       THR   6   9.626   3.006 -11.312
   49    HG1  THR   6           HG1      THR   6  11.058   4.936 -11.818
   50   1HG2  THR   6          1HG2      THR   6   8.477   4.133 -13.700
   51   2HG2  THR   6          2HG2      THR   6   7.316   4.188 -12.374
   52   3HG2  THR   6          3HG2      THR   6   8.046   2.653 -12.845
   53    H    TRP   7           H        TRP   7  10.118   6.656 -12.015
   54    HA   TRP   7           HA       TRP   7   8.185   8.739 -11.870
   55   1HB   TRP   7          1HB       TRP   7  10.407   9.459 -12.161
   56   2HB   TRP   7          2HB       TRP   7  10.694   8.327 -13.480
   57    HD1  TRP   7           HD1      TRP   7  10.920   9.568 -15.693
   58    HE1  TRP   7           HE1      TRP   7   9.840  11.637 -16.779
   59    HE3  TRP   7           HE3      TRP   7   7.795  10.945 -11.888
   60    HZ2  TRP   7           HZ2      TRP   7   7.919  13.594 -16.111
   61    HZ3  TRP   7           HZ3      TRP   7   6.369  12.927 -12.192
   62    HH2  TRP   7           HH2      TRP   7   6.432  14.223 -14.260
   63    H    ASN   8           H        ASN   8   6.527   9.227 -13.180
   64    HA   ASN   8           HA       ASN   8   6.209   7.629 -15.636
   65   1HB   ASN   8          1HB       ASN   8   4.605   7.326 -13.546
   66   2HB   ASN   8          2HB       ASN   8   3.828   8.752 -14.228
   67   1HD2  ASN   8          2HD2      ASN   8   2.197   8.299 -15.498
   68   2HD2  ASN   8          1HD2      ASN   8   2.036   6.902 -16.502
   69    HA   PRO   9           HA       PRO   9   6.456  11.955 -17.078
   70   1HB   PRO   9          1HB       PRO   9   7.430  11.296 -19.525
   71   2HB   PRO   9          2HB       PRO   9   8.456  11.458 -18.095
   72   1HG   PRO   9          1HG       PRO   9   7.346   8.982 -19.360
   73   2HG   PRO   9          2HG       PRO   9   8.973   9.279 -18.721
   74   1HD   PRO   9          1HD       PRO   9   7.090   7.914 -17.335
   75   2HD   PRO   9          2HD       PRO   9   8.319   8.920 -16.540
   76    H    ALA  10           H        ALA  10   4.776   9.157 -18.148
   77    HA   ALA  10           HA       ALA  10   3.500   9.971 -20.454
   78   1HB   ALA  10          1HB       ALA  10   3.359   7.732 -19.223
   79   2HB   ALA  10          2HB       ALA  10   2.045   8.467 -18.304
   80   3HB   ALA  10          3HB       ALA  10   1.912   8.303 -20.055
   81    H    THR  11           H        THR  11   2.780  10.820 -17.114
   82    HA   THR  11           HA       THR  11   0.754  12.721 -18.102
   83    HB   THR  11           HB       THR  11  -0.270  12.573 -15.813
   84    HG1  THR  11           HG1      THR  11   1.151  10.146 -15.513
   85   1HG2  THR  11          1HG2      THR  11  -1.100  11.314 -17.828
   86   2HG2  THR  11          2HG2      THR  11  -1.517  10.591 -16.275
   87   3HG2  THR  11          3HG2      THR  11  -0.203   9.916 -17.237
   88    H    GLY  12           H        GLY  12   3.448  12.163 -15.922
   89   1HA   GLY  12          1HA       GLY  12   5.006  14.034 -15.642
   90   2HA   GLY  12          2HA       GLY  12   3.604  15.085 -15.508
   91    H    LYS  13           H        LYS  13   2.933  12.247 -13.923
   92    HA   LYS  13           HA       LYS  13   4.013  13.229 -11.369
   93   1HB   LYS  13          1HB       LYS  13   1.885  12.653 -10.271
   94   2HB   LYS  13          2HB       LYS  13   1.681  13.914 -11.480
   95   1HG   LYS  13          1HG       LYS  13   0.899  12.164 -13.072
   96   2HG   LYS  13          2HG       LYS  13   0.949  11.007 -11.740
   97   1HD   LYS  13          1HD       LYS  13  -0.608  12.513 -10.486
   98   2HD   LYS  13          2HD       LYS  13  -0.758  13.484 -11.953
   99   1HE   LYS  13          1HE       LYS  13  -1.720  11.655 -13.149
  100   2HE   LYS  13          2HE       LYS  13  -1.362  10.535 -11.836
  101   1HZ   LYS  13          1HZ       LYS  13  -3.729  11.679 -12.167
  102   2HZ   LYS  13          2HZ       LYS  13  -3.013  12.829 -11.154
  103   3HZ   LYS  13          3HZ       LYS  13  -3.135  11.219 -10.651
  104    H    TRP  14           H        TRP  14   4.961  11.713 -10.154
  105    HA   TRP  14           HA       TRP  14   5.594   9.196 -11.081
  106   1HB   TRP  14          1HB       TRP  14   5.424  10.186  -8.229
  107   2HB   TRP  14          2HB       TRP  14   6.165   8.658  -8.698
  108    HD1  TRP  14           HD1      TRP  14   6.618  12.441  -9.437
  109    HE1  TRP  14           HE1      TRP  14   9.126  12.876  -9.820
  110    HE3  TRP  14           HE3      TRP  14   8.335   7.637  -9.103
  111    HZ2  TRP  14           HZ2      TRP  14  11.515  11.381  -9.963
  112    HZ3  TRP  14           HZ3      TRP  14  10.746   7.225  -9.376
  113    HH2  TRP  14           HH2      TRP  14  12.301   9.059  -9.797
  114    H    THR  15           H        THR  15   4.145   7.717 -11.696
  115    HA   THR  15           HA       THR  15   1.894   7.131  -9.887
  116    HB   THR  15           HB       THR  15   0.704   6.211 -11.801
  117    HG1  THR  15           HG1      THR  15   1.680   6.482 -13.912
  118   1HG2  THR  15          1HG2      THR  15   1.236   8.894 -11.368
  119   2HG2  THR  15          2HG2      THR  15  -0.055   8.236 -12.374
  120   3HG2  THR  15          3HG2      THR  15   1.486   8.690 -13.101
  121    H    TRP  16           H        TRP  16   1.255   4.900  -9.658
  122    HA   TRP  16           HA       TRP  16   3.510   3.169  -9.316
  123   1HB   TRP  16          1HB       TRP  16   0.587   2.451  -9.050
  124   2HB   TRP  16          2HB       TRP  16   1.961   1.622  -8.324
  125    HD1  TRP  16           HD1      TRP  16  -0.320   4.622  -7.843
  126    HE1  TRP  16           HE1      TRP  16   0.129   5.655  -5.528
  127    HE3  TRP  16           HE3      TRP  16   3.848   1.954  -6.559
  128    HZ2  TRP  16           HZ2      TRP  16   2.002   5.375  -3.435
  129    HZ3  TRP  16           HZ3      TRP  16   4.908   2.397  -4.383
  130    HH2  TRP  16           HH2      TRP  16   4.003   4.073  -2.855
  131    H    ARG  17           H        ARG  17   4.017   1.289 -10.402
  132    HA   ARG  17           HA       ARG  17   2.547   0.811 -12.911
  133   1HB   ARG  17          1HB       ARG  17   5.480   0.234 -12.616
  134   2HB   ARG  17          2HB       ARG  17   4.541   0.457 -14.086
  135   1HG   ARG  17          1HG       ARG  17   5.195   2.631 -12.109
  136   2HG   ARG  17          2HG       ARG  17   6.054   2.336 -13.622
  137   1HD   ARG  17          1HD       ARG  17   3.213   3.238 -13.232
  138   2HD   ARG  17          2HD       ARG  17   4.520   4.075 -14.069
  139    HE   ARG  17           HE       ARG  17   4.255   1.814 -15.506
  140   1HH1  ARG  17          1HH1      ARG  17   1.960   4.185 -14.399
  141   2HH1  ARG  17          2HH1      ARG  17   0.886   3.963 -15.740
  142   1HH2  ARG  17          1HH2      ARG  17   2.850   1.513 -17.277
  143   2HH2  ARG  17          2HH2      ARG  17   1.393   2.442 -17.377
  144    H    LYS  18           H        LYS  18   1.990  -1.248 -13.376
  145    HA   LYS  18           HA       LYS  18   2.937  -3.352 -11.541
  146   1HB   LYS  18          1HB       LYS  18   0.717  -4.426 -11.825
  147   2HB   LYS  18          2HB       LYS  18   0.628  -2.856 -11.038
  148   1HG   LYS  18          1HG       LYS  18   0.266  -2.110 -13.594
  149   2HG   LYS  18          2HG       LYS  18  -0.424  -3.734 -13.644
  150   1HD   LYS  18          1HD       LYS  18  -1.548  -2.837 -11.376
  151   2HD   LYS  18          2HD       LYS  18  -1.364  -1.307 -12.238
  152   1HE   LYS  18          1HE       LYS  18  -2.743  -3.775 -13.291
  153   2HE   LYS  18          2HE       LYS  18  -3.546  -2.335 -12.666
  154   1HZ   LYS  18          1HZ       LYS  18  -1.955  -1.270 -14.521
  155   2HZ   LYS  18          2HZ       LYS  18  -3.549  -1.751 -14.820
  156   3HZ   LYS  18          3HZ       LYS  18  -2.266  -2.775 -15.230
  157    H    ASN  19           H        ASN  19   3.550  -5.282 -12.410
  158    HA   ASN  19           HA       ASN  19   3.576  -5.428 -15.350
  159   1HB   ASN  19          1HB       ASN  19   5.470  -7.127 -14.881
  160   2HB   ASN  19          2HB       ASN  19   5.815  -5.413 -14.667
  161   1HD2  ASN  19          2HD2      ASN  19   6.775  -4.865 -12.854
  162   2HD2  ASN  19          1HD2      ASN  19   6.777  -5.776 -11.386
  163    H    GLU  20           H        GLU  20   1.520  -6.359 -13.293
  164    HA   GLU  20           HA       GLU  20   1.201  -9.040 -14.431
  165   1HB   GLU  20          1HB       GLU  20   0.415  -9.872 -12.211
  166   2HB   GLU  20          2HB       GLU  20   2.128  -9.479 -12.262
  167   1HG   GLU  20          1HG       GLU  20   1.703  -7.371 -11.141
  168   2HG   GLU  20          2HG       GLU  20  -0.028  -7.706 -11.135
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1   0.893  -0.083   0.561
    2    HA   LYS   1           HA       LYS   1   2.488   0.971  -1.674
    3   1HB   LYS   1          1HB       LYS   1   3.567  -0.107   0.415
    4   2HB   LYS   1          2HB       LYS   1   3.013  -1.632  -0.263
    5   1HG   LYS   1          1HG       LYS   1   4.492  -1.560  -2.001
    6   2HG   LYS   1          2HG       LYS   1   4.572   0.203  -2.005
    7   1HD   LYS   1          1HD       LYS   1   6.140   0.270  -0.333
    8   2HD   LYS   1          2HD       LYS   1   5.612  -1.259   0.371
    9   1HE   LYS   1          1HE       LYS   1   7.035  -1.024  -2.275
   10   2HE   LYS   1          2HE       LYS   1   7.853  -1.332  -0.743
   11   1HZ   LYS   1          1HZ       LYS   1   7.329  -3.467  -0.872
   12   2HZ   LYS   1          2HZ       LYS   1   6.732  -3.199  -2.432
   13   3HZ   LYS   1          3HZ       LYS   1   5.687  -3.127  -1.103
   14    H    ALA   2           H        ALA   2   1.050   0.718  -3.360
   15    HA   ALA   2           HA       ALA   2  -0.361  -1.743  -3.798
   16   1HB   ALA   2          1HB       ALA   2  -0.337   0.915  -4.937
   17   2HB   ALA   2          2HB       ALA   2  -0.403  -0.328  -6.186
   18   3HB   ALA   2          3HB       ALA   2  -1.624  -0.291  -4.914
   19    H    TRP   3           H        TRP   3   1.815  -0.072  -6.062
   20    HA   TRP   3           HA       TRP   3   3.191  -2.624  -6.537
   21   1HB   TRP   3          1HB       TRP   3   2.660  -0.838  -8.869
   22   2HB   TRP   3          2HB       TRP   3   2.873  -2.586  -8.818
   23    HD1  TRP   3           HD1      TRP   3   0.646  -3.762  -7.268
   24    HE1  TRP   3           HE1      TRP   3  -1.845  -3.364  -7.776
   25    HE3  TRP   3           HE3      TRP   3   1.044   0.597  -9.909
   26    HZ2  TRP   3           HZ2      TRP   3  -3.432  -1.455  -9.120
   27    HZ3  TRP   3           HZ3      TRP   3  -1.009   1.644 -10.772
   28    HH2  TRP   3           HH2      TRP   3  -3.199   0.638 -10.385
   29    H    THR   4           H        THR   4   4.816  -1.640  -8.640
   30    HA   THR   4           HA       THR   4   6.951  -0.545  -7.218
   31    HB   THR   4           HB       THR   4   6.566  -0.234 -10.196
   32    HG1  THR   4           HG1      THR   4   7.826  -2.462  -8.999
   33   1HG2  THR   4          1HG2      THR   4   8.517   0.890  -9.633
   34   2HG2  THR   4          2HG2      THR   4   9.116  -0.726 -10.007
   35   3HG2  THR   4          3HG2      THR   4   8.906  -0.230  -8.328
   36    H    TRP   5           H        TRP   5   7.974   1.535  -7.411
   37    HA   TRP   5           HA       TRP   5   6.096   3.717  -8.038
   38   1HB   TRP   5          1HB       TRP   5   6.269   3.547  -5.630
   39   2HB   TRP   5          2HB       TRP   5   8.029   3.531  -5.720
   40    HD1  TRP   5           HD1      TRP   5   9.238   5.824  -5.677
   41    HE1  TRP   5           HE1      TRP   5   8.458   8.276  -5.604
   42    HE3  TRP   5           HE3      TRP   5   4.249   5.115  -6.539
   43    HZ2  TRP   5           HZ2      TRP   5   6.047   9.719  -5.875
   44    HZ3  TRP   5           HZ3      TRP   5   2.774   7.084  -6.617
   45    HH2  TRP   5           HH2      TRP   5   3.657   9.337  -6.291
   46    H    THR   6           H        THR   6   7.019   4.009 -10.086
   47    HA   THR   6           HA       THR   6   9.748   5.126 -10.047
   48    HB   THR   6           HB       THR   6   9.544   2.946 -11.287
   49    HG1  THR   6           HG1      THR   6  11.066   3.685 -12.582
   50   1HG2  THR   6          1HG2      THR   6   8.435   4.096 -13.688
   51   2HG2  THR   6          2HG2      THR   6   7.268   4.167 -12.367
   52   3HG2  THR   6          3HG2      THR   6   7.975   2.622 -12.838
   53    H    TRP   7           H        TRP   7  10.103   6.537 -12.091
   54    HA   TRP   7           HA       TRP   7   8.257   8.697 -11.939
   55   1HB   TRP   7          1HB       TRP   7  10.498   9.317 -12.319
   56   2HB   TRP   7          2HB       TRP   7  10.691   8.147 -13.621
   57    HD1  TRP   7           HD1      TRP   7  10.903   9.343 -15.861
   58    HE1  TRP   7           HE1      TRP   7   9.865  11.428 -16.957
   59    HE3  TRP   7           HE3      TRP   7   7.939  10.900 -11.998
   60    HZ2  TRP   7           HZ2      TRP   7   8.032  13.463 -16.274
   61    HZ3  TRP   7           HZ3      TRP   7   6.575  12.925 -12.300
   62    HH2  TRP   7           HH2      TRP   7   6.622  14.179 -14.395
   63    H    ASN   8           H        ASN   8   6.583   9.227 -13.214
   64    HA   ASN   8           HA       ASN   8   6.122   7.583 -15.616
   65   1HB   ASN   8          1HB       ASN   8   4.580   7.355 -13.488
   66   2HB   ASN   8          2HB       ASN   8   3.845   8.823 -14.125
   67   1HD2  ASN   8          2HD2      ASN   8   2.125   8.446 -15.297
   68   2HD2  ASN   8          1HD2      ASN   8   1.859   7.075 -16.316
   69    HA   PRO   9           HA       PRO   9   6.477  11.868 -17.159
   70   1HB   PRO   9          1HB       PRO   9   7.354  11.124 -19.618
   71   2HB   PRO   9          2HB       PRO   9   8.427  11.281 -18.222
   72   1HG   PRO   9          1HG       PRO   9   7.197   8.819 -19.400
   73   2HG   PRO   9          2HG       PRO   9   8.852   9.072 -18.815
   74   1HD   PRO   9          1HD       PRO   9   6.965   7.803 -17.344
   75   2HD   PRO   9          2HD       PRO   9   8.250   8.783 -16.609
   76    H    ALA  10           H        ALA  10   4.672   9.108 -18.118
   77    HA   ALA  10           HA       ALA  10   3.356   9.926 -20.403
   78   1HB   ALA  10          1HB       ALA  10   1.709   8.578 -18.345
   79   2HB   ALA  10          2HB       ALA  10   1.948   8.184 -20.048
   80   3HB   ALA  10          3HB       ALA  10   3.181   7.755 -18.862
   81    H    THR  11           H        THR  11   2.756  10.837 -17.055
   82    HA   THR  11           HA       THR  11   0.760  12.786 -18.011
   83    HB   THR  11           HB       THR  11  -0.138  12.700 -15.630
   84    HG1  THR  11           HG1      THR  11   1.376  10.281 -15.612
   85   1HG2  THR  11          1HG2      THR  11  -1.329  11.682 -17.498
   86   2HG2  THR  11          2HG2      THR  11  -1.471  10.676 -16.057
   87   3HG2  THR  11          3HG2      THR  11  -0.354  10.221 -17.343
   88    H    GLY  12           H        GLY  12   3.529  12.183 -15.953
   89   1HA   GLY  12          1HA       GLY  12   5.137  14.010 -15.733
   90   2HA   GLY  12          2HA       GLY  12   3.769  15.101 -15.561
   91    H    LYS  13           H        LYS  13   3.062  12.311 -13.919
   92    HA   LYS  13           HA       LYS  13   4.270  13.278 -11.418
   93   1HB   LYS  13          1HB       LYS  13   2.210  12.952 -10.220
   94   2HB   LYS  13          2HB       LYS  13   1.889  14.000 -11.596
   95   1HG   LYS  13          1HG       LYS  13   0.928  12.147 -12.823
   96   2HG   LYS  13          2HG       LYS  13   1.319  11.044 -11.501
   97   1HD   LYS  13          1HD       LYS  13  -0.226  13.393 -10.683
   98   2HD   LYS  13          2HD       LYS  13  -1.067  12.340 -11.822
   99   1HE   LYS  13          1HE       LYS  13   0.305  11.265  -9.375
  100   2HE   LYS  13          2HE       LYS  13  -1.353  11.862  -9.325
  101   1HZ   LYS  13          1HZ       LYS  13  -0.473   9.346 -10.112
  102   2HZ   LYS  13          2HZ       LYS  13  -1.058  10.106 -11.505
  103   3HZ   LYS  13          3HZ       LYS  13  -2.054   9.946 -10.148
  104    H    TRP  14           H        TRP  14   5.096  11.736 -10.119
  105    HA   TRP  14           HA       TRP  14   5.660   9.192 -11.063
  106   1HB   TRP  14          1HB       TRP  14   5.570  10.220  -8.221
  107   2HB   TRP  14          2HB       TRP  14   6.238   8.655  -8.677
  108    HD1  TRP  14           HD1      TRP  14   6.832  12.393  -9.552
  109    HE1  TRP  14           HE1      TRP  14   9.355  12.718  -9.947
  110    HE3  TRP  14           HE3      TRP  14   8.370   7.550  -8.994
  111    HZ2  TRP  14           HZ2      TRP  14  11.688  11.130 -10.014
  112    HZ3  TRP  14           HZ3      TRP  14  10.764   7.037  -9.239
  113    HH2  TRP  14           HH2      TRP  14  12.387   8.791  -9.740
  114    H    THR  15           H        THR  15   4.167   7.742 -11.630
  115    HA   THR  15           HA       THR  15   1.925   7.251  -9.780
  116    HB   THR  15           HB       THR  15   0.639   6.408 -11.651
  117    HG1  THR  15           HG1      THR  15   2.351   5.548 -12.901
  118   1HG2  THR  15          1HG2      THR  15   1.558   8.806 -13.019
  119   2HG2  THR  15          2HG2      THR  15   1.347   9.056 -11.285
  120   3HG2  THR  15          3HG2      THR  15   0.003   8.465 -12.261
  121    H    TRP  16           H        TRP  16   1.249   5.066  -9.461
  122    HA   TRP  16           HA       TRP  16   3.423   3.252  -9.167
  123   1HB   TRP  16          1HB       TRP  16   0.476   2.625  -8.928
  124   2HB   TRP  16          2HB       TRP  16   1.816   1.741  -8.204
  125    HD1  TRP  16           HD1      TRP  16  -0.405   4.763  -7.672
  126    HE1  TRP  16           HE1      TRP  16   0.083   5.774  -5.355
  127    HE3  TRP  16           HE3      TRP  16   3.763   2.059  -6.468
  128    HZ2  TRP  16           HZ2      TRP  16   1.984   5.466  -3.291
  129    HZ3  TRP  16           HZ3      TRP  16   4.857   2.478  -4.304
  130    HH2  TRP  16           HH2      TRP  16   3.984   4.147  -2.750
  131    H    ARG  17           H        ARG  17   3.880   1.359 -10.255
  132    HA   ARG  17           HA       ARG  17   2.417   0.932 -12.777
  133   1HB   ARG  17          1HB       ARG  17   5.339   0.307 -12.461
  134   2HB   ARG  17          2HB       ARG  17   4.413   0.521 -13.941
  135   1HG   ARG  17          1HG       ARG  17   5.060   2.719 -11.987
  136   2HG   ARG  17          2HG       ARG  17   5.952   2.387 -13.473
  137   1HD   ARG  17          1HD       ARG  17   3.103   3.306 -13.178
  138   2HD   ARG  17          2HD       ARG  17   4.440   4.142 -13.969
  139    HE   ARG  17           HE       ARG  17   4.227   1.871 -15.404
  140   1HH1  ARG  17          1HH1      ARG  17   1.905   4.264 -14.405
  141   2HH1  ARG  17          2HH1      ARG  17   0.886   4.042 -15.789
  142   1HH2  ARG  17          1HH2      ARG  17   2.894   1.570 -17.231
  143   2HH2  ARG  17          2HH2      ARG  17   1.449   2.509 -17.395
  144    H    LYS  18           H        LYS  18   1.785  -1.102 -13.227
  145    HA   LYS  18           HA       LYS  18   2.699  -3.241 -11.417
  146   1HB   LYS  18          1HB       LYS  18   0.449  -4.257 -11.686
  147   2HB   LYS  18          2HB       LYS  18   0.408  -2.689 -10.890
  148   1HG   LYS  18          1HG       LYS  18   0.028  -1.892 -13.411
  149   2HG   LYS  18          2HG       LYS  18  -0.657  -3.516 -13.517
  150   1HD   LYS  18          1HD       LYS  18  -1.749  -2.629 -11.191
  151   2HD   LYS  18          2HD       LYS  18  -1.647  -1.129 -12.116
  152   1HE   LYS  18          1HE       LYS  18  -3.708  -1.906 -12.768
  153   2HE   LYS  18          2HE       LYS  18  -2.680  -2.591 -14.025
  154   1HZ   LYS  18          1HZ       LYS  18  -4.341  -3.933 -12.201
  155   2HZ   LYS  18          2HZ       LYS  18  -2.742  -4.402 -11.910
  156   3HZ   LYS  18          3HZ       LYS  18  -3.409  -4.585 -13.453
  157    H    ASN  19           H        ASN  19   3.129  -5.245 -12.293
  158    HA   ASN  19           HA       ASN  19   2.927  -5.475 -15.220
  159   1HB   ASN  19          1HB       ASN  19   5.276  -6.348 -13.522
  160   2HB   ASN  19          2HB       ASN  19   5.121  -6.579 -15.261
  161   1HD2  ASN  19          2HD2      ASN  19   7.219  -5.211 -13.933
  162   2HD2  ASN  19          1HD2      ASN  19   7.184  -3.565 -14.458
  163    H    GLU  20           H        GLU  20   0.987  -6.694 -14.760
  164    HA   GLU  20           HA       GLU  20   0.826  -8.963 -13.169
  165   1HB   GLU  20          1HB       GLU  20  -0.585  -8.443 -15.792
  166   2HB   GLU  20          2HB       GLU  20  -1.065  -9.636 -14.593
  167   1HG   GLU  20          1HG       GLU  20  -1.293  -7.708 -12.969
  168   2HG   GLU  20          2HG       GLU  20  -1.140  -6.645 -14.367
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1   1.128  -0.126   0.766
    2    HA   LYS   1           HA       LYS   1   2.203   0.873  -1.694
    3   1HB   LYS   1          1HB       LYS   1   2.900  -1.294   0.228
    4   2HB   LYS   1          2HB       LYS   1   3.550  -1.404  -1.403
    5   1HG   LYS   1          1HG       LYS   1   5.217  -0.292  -0.258
    6   2HG   LYS   1          2HG       LYS   1   4.320   1.029  -1.012
    7   1HD   LYS   1          1HD       LYS   1   4.466   1.848   1.112
    8   2HD   LYS   1          2HD       LYS   1   2.974   0.919   1.270
    9   1HE   LYS   1          1HE       LYS   1   4.662  -1.011   1.903
   10   2HE   LYS   1          2HE       LYS   1   5.696   0.351   2.330
   11   1HZ   LYS   1          1HZ       LYS   1   3.197  -0.542   3.560
   12   2HZ   LYS   1          2HZ       LYS   1   3.519   1.118   3.554
   13   3HZ   LYS   1          3HZ       LYS   1   4.606   0.048   4.286
   14    H    ALA   2           H        ALA   2   1.264   0.494  -3.587
   15    HA   ALA   2           HA       ALA   2  -0.300  -1.933  -3.991
   16   1HB   ALA   2          1HB       ALA   2  -1.578  -0.507  -5.116
   17   2HB   ALA   2          2HB       ALA   2  -0.334   0.743  -5.062
   18   3HB   ALA   2          3HB       ALA   2  -0.323  -0.456  -6.355
   19    H    TRP   3           H        TRP   3   1.855  -0.193  -6.221
   20    HA   TRP   3           HA       TRP   3   3.278  -2.714  -6.726
   21   1HB   TRP   3          1HB       TRP   3   2.731  -0.894  -9.028
   22   2HB   TRP   3          2HB       TRP   3   2.978  -2.638  -9.010
   23    HD1  TRP   3           HD1      TRP   3   0.760  -3.860  -7.451
   24    HE1  TRP   3           HE1      TRP   3  -1.733  -3.513  -7.986
   25    HE3  TRP   3           HE3      TRP   3   1.100   0.489 -10.116
   26    HZ2  TRP   3           HZ2      TRP   3  -3.343  -1.643  -9.357
   27    HZ3  TRP   3           HZ3      TRP   3  -0.963   1.492 -11.005
   28    HH2  TRP   3           HH2      TRP   3  -3.138   0.446 -10.633
   29    H    THR   4           H        THR   4   4.891  -1.654  -8.811
   30    HA   THR   4           HA       THR   4   7.002  -0.553  -7.350
   31    HB   THR   4           HB       THR   4   6.639  -0.207 -10.326
   32    HG1  THR   4           HG1      THR   4   7.680  -2.288 -10.445
   33   1HG2  THR   4          1HG2      THR   4   8.572   0.928  -9.758
   34   2HG2  THR   4          2HG2      THR   4   9.201  -0.684 -10.099
   35   3HG2  THR   4          3HG2      THR   4   8.951  -0.169  -8.431
   36    H    TRP   5           H        TRP   5   7.992   1.545  -7.504
   37    HA   TRP   5           HA       TRP   5   6.085   3.705  -8.122
   38   1HB   TRP   5          1HB       TRP   5   6.243   3.495  -5.711
   39   2HB   TRP   5          2HB       TRP   5   8.003   3.529  -5.789
   40    HD1  TRP   5           HD1      TRP   5   9.147   5.854  -5.701
   41    HE1  TRP   5           HE1      TRP   5   8.299   8.282  -5.602
   42    HE3  TRP   5           HE3      TRP   5   4.188   5.021  -6.622
   43    HZ2  TRP   5           HZ2      TRP   5   5.852   9.662  -5.878
   44    HZ3  TRP   5           HZ3      TRP   5   2.660   6.949  -6.687
   45    HH2  TRP   5           HH2      TRP   5   3.477   9.220  -6.322
   46    H    THR   6           H        THR   6   7.030   4.026 -10.159
   47    HA   THR   6           HA       THR   6   9.746   5.172 -10.080
   48    HB   THR   6           HB       THR   6   9.557   3.025 -11.375
   49    HG1  THR   6           HG1      THR   6  11.046   3.796 -12.707
   50   1HG2  THR   6          1HG2      THR   6   7.237   4.091 -12.351
   51   2HG2  THR   6          2HG2      THR   6   8.111   2.742 -13.076
   52   3HG2  THR   6          3HG2      THR   6   8.356   4.379 -13.682
   53    H    TRP   7           H        TRP   7  10.114   6.665 -12.038
   54    HA   TRP   7           HA       TRP   7   8.230   8.790 -11.859
   55   1HB   TRP   7          1HB       TRP   7  10.468   9.459 -12.156
   56   2HB   TRP   7          2HB       TRP   7  10.718   8.338 -13.492
   57    HD1  TRP   7           HD1      TRP   7  11.035   9.666 -15.646
   58    HE1  TRP   7           HE1      TRP   7   9.967  11.750 -16.713
   59    HE3  TRP   7           HE3      TRP   7   7.786  10.918 -11.903
   60    HZ2  TRP   7           HZ2      TRP   7   8.007  13.672 -16.054
   61    HZ3  TRP   7           HZ3      TRP   7   6.350  12.894 -12.200
   62    HH2  TRP   7           HH2      TRP   7   6.460  14.241 -14.233
   63    H    ASN   8           H        ASN   8   6.488   9.189 -13.056
   64    HA   ASN   8           HA       ASN   8   6.124   7.639 -15.533
   65   1HB   ASN   8          1HB       ASN   8   4.520   7.319 -13.541
   66   2HB   ASN   8          2HB       ASN   8   3.890   8.908 -13.963
   67   1HD2  ASN   8          2HD2      ASN   8   1.999   8.594 -14.895
   68   2HD2  ASN   8          1HD2      ASN   8   1.675   7.480 -16.176
   69    HA   PRO   9           HA       PRO   9   6.590  11.934 -17.043
   70   1HB   PRO   9          1HB       PRO   9   7.607  11.194 -19.449
   71   2HB   PRO   9          2HB       PRO   9   8.598  11.352 -17.994
   72   1HG   PRO   9          1HG       PRO   9   7.443   8.887 -19.240
   73   2HG   PRO   9          2HG       PRO   9   9.061   9.145 -18.562
   74   1HD   PRO   9          1HD       PRO   9   7.097   7.871 -17.202
   75   2HD   PRO   9          2HD       PRO   9   8.336   8.852 -16.394
   76    H    ALA  10           H        ALA  10   4.807   9.194 -18.045
   77    HA   ALA  10           HA       ALA  10   3.627  10.033 -20.419
   78   1HB   ALA  10          1HB       ALA  10   2.577   8.090 -20.212
   79   2HB   ALA  10          2HB       ALA  10   3.278   7.921 -18.603
   80   3HB   ALA  10          3HB       ALA  10   1.694   8.670 -18.800
   81    H    THR  11           H        THR  11   2.755  10.767 -17.074
   82    HA   THR  11           HA       THR  11   0.792  12.721 -18.083
   83    HB   THR  11           HB       THR  11  -0.286  12.560 -15.837
   84    HG1  THR  11           HG1      THR  11   0.342  10.477 -14.734
   85   1HG2  THR  11          1HG2      THR  11  -1.304  11.338 -17.612
   86   2HG2  THR  11          2HG2      THR  11  -1.251  10.262 -16.215
   87   3HG2  THR  11          3HG2      THR  11  -0.083  10.069 -17.522
   88    H    GLY  12           H        GLY  12   3.527  12.167 -15.985
   89   1HA   GLY  12          1HA       GLY  12   5.061  14.017 -15.634
   90   2HA   GLY  12          2HA       GLY  12   3.665  15.078 -15.522
   91    H    LYS  13           H        LYS  13   2.960  12.243 -13.941
   92    HA   LYS  13           HA       LYS  13   4.005  13.227 -11.373
   93   1HB   LYS  13          1HB       LYS  13   1.864  12.687 -10.301
   94   2HB   LYS  13          2HB       LYS  13   1.669  13.918 -11.542
   95   1HG   LYS  13          1HG       LYS  13   0.862  12.185 -13.096
   96   2HG   LYS  13          2HG       LYS  13   0.991  10.995 -11.799
   97   1HD   LYS  13          1HD       LYS  13  -1.240  11.587 -11.685
   98   2HD   LYS  13          2HD       LYS  13  -0.518  12.662 -10.486
   99   1HE   LYS  13          1HE       LYS  13  -0.787  13.566 -13.321
  100   2HE   LYS  13          2HE       LYS  13  -2.193  13.598 -12.258
  101   1HZ   LYS  13          1HZ       LYS  13  -1.376  15.638 -11.803
  102   2HZ   LYS  13          2HZ       LYS  13   0.217  15.231 -12.197
  103   3HZ   LYS  13          3HZ       LYS  13  -0.424  14.782 -10.697
  104    H    TRP  14           H        TRP  14   4.940  11.709 -10.153
  105    HA   TRP  14           HA       TRP  14   5.560   9.183 -11.068
  106   1HB   TRP  14          1HB       TRP  14   5.389  10.194  -8.223
  107   2HB   TRP  14          2HB       TRP  14   6.113   8.653  -8.675
  108    HD1  TRP  14           HD1      TRP  14   6.612  12.418  -9.484
  109    HE1  TRP  14           HE1      TRP  14   9.128  12.820  -9.846
  110    HE3  TRP  14           HE3      TRP  14   8.277   7.608  -9.009
  111    HZ2  TRP  14           HZ2      TRP  14  11.505  11.298  -9.921
  112    HZ3  TRP  14           HZ3      TRP  14  10.687   7.166  -9.240
  113    HH2  TRP  14           HH2      TRP  14  12.265   8.974  -9.687
  114    H    THR  15           H        THR  15   4.105   7.710 -11.679
  115    HA   THR  15           HA       THR  15   1.863   7.129  -9.855
  116    HB   THR  15           HB       THR  15   0.626   6.263 -11.766
  117    HG1  THR  15           HG1      THR  15   1.587   5.874 -13.619
  118   1HG2  THR  15          1HG2      THR  15  -0.109   8.302 -12.356
  119   2HG2  THR  15          2HG2      THR  15   1.467   8.792 -12.977
  120   3HG2  THR  15          3HG2      THR  15   1.124   8.908 -11.251
  121    H    TRP  16           H        TRP  16   1.277   4.942  -9.517
  122    HA   TRP  16           HA       TRP  16   3.475   3.174  -9.254
  123   1HB   TRP  16          1HB       TRP  16   0.542   2.457  -9.100
  124   2HB   TRP  16          2HB       TRP  16   1.890   1.593  -8.366
  125    HD1  TRP  16           HD1      TRP  16  -0.450   4.509  -7.799
  126    HE1  TRP  16           HE1      TRP  16  -0.036   5.487  -5.454
  127    HE3  TRP  16           HE3      TRP  16   3.818   1.963  -6.599
  128    HZ2  TRP  16           HZ2      TRP  16   1.851   5.215  -3.372
  129    HZ3  TRP  16           HZ3      TRP  16   4.865   2.380  -4.412
  130    HH2  TRP  16           HH2      TRP  16   3.900   3.973  -2.833
  131    H    ARG  17           H        ARG  17   3.891   1.200 -10.296
  132    HA   ARG  17           HA       ARG  17   2.546   0.832 -12.888
  133   1HB   ARG  17          1HB       ARG  17   5.467   0.237 -12.532
  134   2HB   ARG  17          2HB       ARG  17   4.568   0.510 -14.019
  135   1HG   ARG  17          1HG       ARG  17   5.159   2.626 -11.961
  136   2HG   ARG  17          2HG       ARG  17   6.090   2.361 -13.437
  137   1HD   ARG  17          1HD       ARG  17   3.141   2.752 -13.631
  138   2HD   ARG  17          2HD       ARG  17   4.171   4.154 -13.349
  139    HE   ARG  17           HE       ARG  17   3.957   2.611 -15.776
  140   1HH1  ARG  17          1HH1      ARG  17   5.889   4.839 -13.927
  141   2HH1  ARG  17          2HH1      ARG  17   6.754   5.436 -15.304
  142   1HH2  ARG  17          1HH2      ARG  17   5.088   3.388 -17.598
  143   2HH2  ARG  17          2HH2      ARG  17   6.297   4.610 -17.392
  144    H    LYS  18           H        LYS  18   1.910  -1.192 -13.337
  145    HA   LYS  18           HA       LYS  18   2.853  -3.348 -11.562
  146   1HB   LYS  18          1HB       LYS  18   0.627  -4.393 -11.860
  147   2HB   LYS  18          2HB       LYS  18   0.542  -2.827 -11.066
  148   1HG   LYS  18          1HG       LYS  18   0.189  -2.044 -13.598
  149   2HG   LYS  18          2HG       LYS  18  -0.472  -3.677 -13.703
  150   1HD   LYS  18          1HD       LYS  18  -1.605  -2.792 -11.396
  151   2HD   LYS  18          2HD       LYS  18  -1.514  -1.297 -12.330
  152   1HE   LYS  18          1HE       LYS  18  -3.445  -1.978 -13.239
  153   2HE   LYS  18          2HE       LYS  18  -2.437  -3.068 -14.190
  154   1HZ   LYS  18          1HZ       LYS  18  -4.372  -4.111 -13.010
  155   2HZ   LYS  18          2HZ       LYS  18  -3.562  -3.820 -11.555
  156   3HZ   LYS  18          3HZ       LYS  18  -2.872  -4.836 -12.718
  157    H    ASN  19           H        ASN  19   3.400  -5.293 -12.466
  158    HA   ASN  19           HA       ASN  19   3.673  -5.301 -15.381
  159   1HB   ASN  19          1HB       ASN  19   5.316  -7.081 -15.046
  160   2HB   ASN  19          2HB       ASN  19   5.709  -5.685 -14.046
  161   1HD2  ASN  19          2HD2      ASN  19   5.871  -5.930 -11.904
  162   2HD2  ASN  19          1HD2      ASN  19   5.547  -7.399 -11.053
  163    H    GLU  20           H        GLU  20   2.297  -7.146 -12.721
  164    HA   GLU  20           HA       GLU  20   0.722  -8.665 -14.681
  165   1HB   GLU  20          1HB       GLU  20   0.976 -10.707 -13.387
  166   2HB   GLU  20          2HB       GLU  20   2.553 -10.104 -13.876
  167   1HG   GLU  20          1HG       GLU  20   2.971 -10.649 -11.705
  168   2HG   GLU  20          2HG       GLU  20   2.506  -8.959 -11.524
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1   1.369   1.108  -0.057
    2    HA   LYS   1           HA       LYS   1   2.986   1.142  -2.368
    3   1HB   LYS   1          1HB       LYS   1   2.886  -0.667   0.038
    4   2HB   LYS   1          2HB       LYS   1   4.046  -0.913  -1.261
    5   1HG   LYS   1          1HG       LYS   1   4.952   1.322  -0.881
    6   2HG   LYS   1          2HG       LYS   1   3.785   1.574   0.419
    7   1HD   LYS   1          1HD       LYS   1   4.763  -0.213   1.707
    8   2HD   LYS   1          2HD       LYS   1   5.844  -0.631   0.376
    9   1HE   LYS   1          1HE       LYS   1   7.157   0.617   1.876
   10   2HE   LYS   1          2HE       LYS   1   6.754   1.732   0.571
   11   1HZ   LYS   1          1HZ       LYS   1   6.518   2.555   2.955
   12   2HZ   LYS   1          2HZ       LYS   1   5.125   1.599   3.032
   13   3HZ   LYS   1          3HZ       LYS   1   5.229   2.852   1.900
   14    H    ALA   2           H        ALA   2   0.693   0.679  -3.543
   15    HA   ALA   2           HA       ALA   2  -0.225  -1.941  -3.809
   16   1HB   ALA   2          1HB       ALA   2  -1.542  -1.158  -5.487
   17   2HB   ALA   2          2HB       ALA   2  -1.069   0.386  -4.777
   18   3HB   ALA   2          3HB       ALA   2  -0.245  -0.212  -6.216
   19    H    TRP   3           H        TRP   3   1.844  -0.217  -6.154
   20    HA   TRP   3           HA       TRP   3   3.272  -2.740  -6.632
   21   1HB   TRP   3          1HB       TRP   3   2.723  -0.951  -8.959
   22   2HB   TRP   3          2HB       TRP   3   2.981  -2.693  -8.918
   23    HD1  TRP   3           HD1      TRP   3   0.772  -3.940  -7.400
   24    HE1  TRP   3           HE1      TRP   3  -1.725  -3.604  -7.930
   25    HE3  TRP   3           HE3      TRP   3   1.078   0.449 -10.003
   26    HZ2  TRP   3           HZ2      TRP   3  -3.349  -1.727  -9.274
   27    HZ3  TRP   3           HZ3      TRP   3  -0.993   1.449 -10.878
   28    HH2  TRP   3           HH2      TRP   3  -3.160   0.381 -10.521
   29    H    THR   4           H        THR   4   4.911  -1.733  -8.699
   30    HA   THR   4           HA       THR   4   7.000  -0.590  -7.250
   31    HB   THR   4           HB       THR   4   6.591  -0.400 -10.240
   32    HG1  THR   4           HG1      THR   4   6.653  -2.570  -8.941
   33   1HG2  THR   4          1HG2      THR   4   9.211  -0.615  -9.997
   34   2HG2  THR   4          2HG2      THR   4   8.892   0.089  -8.411
   35   3HG2  THR   4          3HG2      THR   4   8.410   0.950  -9.873
   36    H    TRP   5           H        TRP   5   7.909   1.497  -7.249
   37    HA   TRP   5           HA       TRP   5   6.028   3.646  -7.982
   38   1HB   TRP   5          1HB       TRP   5   6.131   3.468  -5.572
   39   2HB   TRP   5          2HB       TRP   5   7.893   3.479  -5.607
   40    HD1  TRP   5           HD1      TRP   5   9.061   5.787  -5.489
   41    HE1  TRP   5           HE1      TRP   5   8.245   8.227  -5.431
   42    HE3  TRP   5           HE3      TRP   5   4.123   5.016  -6.564
   43    HZ2  TRP   5           HZ2      TRP   5   5.827   9.638  -5.794
   44    HZ3  TRP   5           HZ3      TRP   5   2.625   6.964  -6.690
   45    HH2  TRP   5           HH2      TRP   5   3.461   9.226  -6.312
   46    H    THR   6           H        THR   6   6.981   4.031  -9.985
   47    HA   THR   6           HA       THR   6   9.688   5.192  -9.862
   48    HB   THR   6           HB       THR   6   9.571   3.017 -11.126
   49    HG1  THR   6           HG1      THR   6  10.209   5.057 -12.957
   50   1HG2  THR   6          1HG2      THR   6   8.515   4.176 -13.550
   51   2HG2  THR   6          2HG2      THR   6   7.305   4.193 -12.267
   52   3HG2  THR   6          3HG2      THR   6   8.068   2.675 -12.739
   53    H    TRP   7           H        TRP   7  10.076   6.657 -11.841
   54    HA   TRP   7           HA       TRP   7   8.144   8.744 -11.749
   55   1HB   TRP   7          1HB       TRP   7  10.367   9.466 -12.000
   56   2HB   TRP   7          2HB       TRP   7  10.688   8.316 -13.295
   57    HD1  TRP   7           HD1      TRP   7  10.946   9.508 -15.532
   58    HE1  TRP   7           HE1      TRP   7   9.902  11.568 -16.668
   59    HE3  TRP   7           HE3      TRP   7   7.782  10.980 -11.796
   60    HZ2  TRP   7           HZ2      TRP   7   7.991  13.555 -16.061
   61    HZ3  TRP   7           HZ3      TRP   7   6.381  12.971 -12.153
   62    HH2  TRP   7           HH2      TRP   7   6.485  14.231 -14.242
   63    H    ASN   8           H        ASN   8   6.509   9.219 -13.090
   64    HA   ASN   8           HA       ASN   8   6.242   7.610 -15.545
   65   1HB   ASN   8          1HB       ASN   8   4.593   7.353 -13.463
   66   2HB   ASN   8          2HB       ASN   8   3.818   8.737 -14.230
   67   1HD2  ASN   8          2HD2      ASN   8   2.218   8.187 -15.501
   68   2HD2  ASN   8          1HD2      ASN   8   2.118   6.755 -16.462
   69    HA   PRO   9           HA       PRO   9   6.515  11.925 -17.010
   70   1HB   PRO   9          1HB       PRO   9   7.521  11.249 -19.440
   71   2HB   PRO   9          2HB       PRO   9   8.527  11.416 -17.996
   72   1HG   PRO   9          1HG       PRO   9   7.428   8.936 -19.263
   73   2HG   PRO   9          2HG       PRO   9   9.047   9.232 -18.602
   74   1HD   PRO   9          1HD       PRO   9   7.140   7.881 -17.234
   75   2HD   PRO   9          2HD       PRO   9   8.361   8.887 -16.429
   76    H    ALA  10           H        ALA  10   4.804   9.145 -18.033
   77    HA   ALA  10           HA       ALA  10   3.571   9.954 -20.379
   78   1HB   ALA  10          1HB       ALA  10   3.228   7.885 -18.472
   79   2HB   ALA  10          2HB       ALA  10   1.644   8.584 -18.807
   80   3HB   ALA  10          3HB       ALA  10   2.630   7.963 -20.130
   81    H    THR  11           H        THR  11   2.788  10.763 -17.039
   82    HA   THR  11           HA       THR  11   0.774  12.669 -18.041
   83    HB   THR  11           HB       THR  11  -0.180  12.513 -15.670
   84    HG1  THR  11           HG1      THR  11   0.316  10.536 -14.601
   85   1HG2  THR  11          1HG2      THR  11  -1.305  10.267 -16.223
   86   2HG2  THR  11          2HG2      THR  11  -0.332  10.299 -17.695
   87   3HG2  THR  11          3HG2      THR  11  -1.492  11.588 -17.376
   88    H    GLY  12           H        GLY  12   3.542  12.149 -15.989
   89   1HA   GLY  12          1HA       GLY  12   5.056  14.012 -15.645
   90   2HA   GLY  12          2HA       GLY  12   3.652  15.060 -15.522
   91    H    LYS  13           H        LYS  13   2.964  12.238 -13.927
   92    HA   LYS  13           HA       LYS  13   4.040  13.225 -11.373
   93   1HB   LYS  13          1HB       LYS  13   1.959  12.893 -10.261
   94   2HB   LYS  13          2HB       LYS  13   1.619  13.847 -11.699
   95   1HG   LYS  13          1HG       LYS  13   0.803  11.873 -12.848
   96   2HG   LYS  13          2HG       LYS  13   1.203  10.874 -11.449
   97   1HD   LYS  13          1HD       LYS  13  -0.492  13.189 -10.841
   98   2HD   LYS  13          2HD       LYS  13  -1.234  12.005 -11.920
   99   1HE   LYS  13          1HE       LYS  13   0.167  10.961  -9.529
  100   2HE   LYS  13          2HE       LYS  13  -1.349  11.820  -9.256
  101   1HZ   LYS  13          1HZ       LYS  13  -0.961   9.466 -11.026
  102   2HZ   LYS  13          2HZ       LYS  13  -2.413  10.315 -10.848
  103   3HZ   LYS  13          3HZ       LYS  13  -1.758   9.476  -9.533
  104    H    TRP  14           H        TRP  14   4.867  11.700 -10.056
  105    HA   TRP  14           HA       TRP  14   5.536   9.177 -10.994
  106   1HB   TRP  14          1HB       TRP  14   5.321  10.172  -8.146
  107   2HB   TRP  14          2HB       TRP  14   6.072   8.646  -8.604
  108    HD1  TRP  14           HD1      TRP  14   6.529  12.428  -9.355
  109    HE1  TRP  14           HE1      TRP  14   9.043  12.868  -9.687
  110    HE3  TRP  14           HE3      TRP  14   8.253   7.633  -8.942
  111    HZ2  TRP  14           HZ2      TRP  14  11.440  11.378  -9.764
  112    HZ3  TRP  14           HZ3      TRP  14  10.670   7.226  -9.158
  113    HH2  TRP  14           HH2      TRP  14  12.228   9.061  -9.561
  114    H    THR  15           H        THR  15   4.093   7.698 -11.620
  115    HA   THR  15           HA       THR  15   1.811   7.135  -9.843
  116    HB   THR  15           HB       THR  15   0.627   6.238 -11.766
  117    HG1  THR  15           HG1      THR  15   1.691   6.611 -13.885
  118   1HG2  THR  15          1HG2      THR  15   1.555   8.740 -12.993
  119   2HG2  THR  15          2HG2      THR  15   1.089   8.881 -11.298
  120   3HG2  THR  15          3HG2      THR  15  -0.062   8.260 -12.481
  121    H    TRP  16           H        TRP  16   1.152   4.908  -9.625
  122    HA   TRP  16           HA       TRP  16   3.388   3.158  -9.259
  123   1HB   TRP  16          1HB       TRP  16   0.458   2.452  -9.040
  124   2HB   TRP  16          2HB       TRP  16   1.818   1.624  -8.287
  125    HD1  TRP  16           HD1      TRP  16  -0.460   4.638  -7.863
  126    HE1  TRP  16           HE1      TRP  16  -0.057   5.672  -5.541
  127    HE3  TRP  16           HE3      TRP  16   3.660   1.946  -6.480
  128    HZ2  TRP  16           HZ2      TRP  16   1.767   5.386  -3.406
  129    HZ3  TRP  16           HZ3      TRP  16   4.674   2.388  -4.282
  130    HH2  TRP  16           HH2      TRP  16   3.746   4.073  -2.779
  131    H    ARG  17           H        ARG  17   3.924   1.308 -10.364
  132    HA   ARG  17           HA       ARG  17   2.473   0.832 -12.884
  133   1HB   ARG  17          1HB       ARG  17   5.397   0.235 -12.581
  134   2HB   ARG  17          2HB       ARG  17   4.469   0.512 -14.049
  135   1HG   ARG  17          1HG       ARG  17   5.156   2.616 -12.006
  136   2HG   ARG  17          2HG       ARG  17   5.997   2.359 -13.536
  137   1HD   ARG  17          1HD       ARG  17   3.170   3.281 -13.093
  138   2HD   ARG  17          2HD       ARG  17   4.481   4.135 -13.906
  139    HE   ARG  17           HE       ARG  17   4.168   1.907 -15.408
  140   1HH1  ARG  17          1HH1      ARG  17   1.968   4.350 -14.263
  141   2HH1  ARG  17          2HH1      ARG  17   0.901   4.212 -15.621
  142   1HH2  ARG  17          1HH2      ARG  17   2.772   1.715 -17.201
  143   2HH2  ARG  17          2HH2      ARG  17   1.359   2.712 -17.291
  144    H    LYS  18           H        LYS  18   1.907  -1.221 -13.350
  145    HA   LYS  18           HA       LYS  18   2.852  -3.336 -11.527
  146   1HB   LYS  18          1HB       LYS  18   0.629  -4.406 -11.819
  147   2HB   LYS  18          2HB       LYS  18   0.545  -2.842 -11.018
  148   1HG   LYS  18          1HG       LYS  18   0.166  -2.043 -13.537
  149   2HG   LYS  18          2HG       LYS  18  -0.478  -3.683 -13.658
  150   1HD   LYS  18          1HD       LYS  18  -1.612  -2.838 -11.338
  151   2HD   LYS  18          2HD       LYS  18  -1.539  -1.330 -12.252
  152   1HE   LYS  18          1HE       LYS  18  -2.553  -3.784 -13.603
  153   2HE   LYS  18          2HE       LYS  18  -3.602  -2.955 -12.455
  154   1HZ   LYS  18          1HZ       LYS  18  -3.214  -0.896 -13.751
  155   2HZ   LYS  18          2HZ       LYS  18  -4.025  -2.098 -14.622
  156   3HZ   LYS  18          3HZ       LYS  18  -2.382  -1.810 -14.906
  157    H    ASN  19           H        ASN  19   3.355  -5.319 -12.400
  158    HA   ASN  19           HA       ASN  19   3.277  -5.498 -15.340
  159   1HB   ASN  19          1HB       ASN  19   5.426  -6.602 -13.517
  160   2HB   ASN  19          2HB       ASN  19   5.404  -6.690 -15.276
  161   1HD2  ASN  19          2HD2      ASN  19   7.366  -5.502 -13.469
  162   2HD2  ASN  19          1HD2      ASN  19   7.506  -3.847 -13.943
  163    H    GLU  20           H        GLU  20   1.351  -6.488 -13.362
  164    HA   GLU  20           HA       GLU  20   1.634  -9.386 -13.811
  165   1HB   GLU  20          1HB       GLU  20   0.297  -7.842 -11.599
  166   2HB   GLU  20          2HB       GLU  20  -0.082  -9.531 -11.908
  167   1HG   GLU  20          1HG       GLU  20   2.607  -8.399 -11.175
  168   2HG   GLU  20          2HG       GLU  20   1.548  -9.363 -10.147