*HEADER    PLANT PROTEIN, ANTIBIOTIC               12-MAY-05   1ZNU              
*TITLE     STRUCTURE OF CYCLOTIDE KALATA B1 IN DPC MICELLES SOLUTION             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KALATA B1;                                                 
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OLDENLANDIA AFFINIS                             
*KEYWDS    CYCLOTIDE, CYCLIC PEPTIDE, KNOTTIN, CYSTINE KNOT,                     
*KEYWDS   2 ANTIMICROBIAL PEPTIDE                                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.O.SHENKAREV, K.D.NADEZHDIN, V.A.SOBOL, A.G.SOBOL,                   
*AUTHOR   2 L.SKJELDAL, A.S.ARSENIEV                                             
*REVDAT   1   25-APR-06 1ZNU    0                                                


kalata.seq0100644000006400000360000000063710220260361011014 0ustar  zhnmr GLY 120
 THR 121  
 CYSS 122  
 ASN 123  
 THR 124  
 PROD 125  
 GLY 126  
 CYSS 127  
 THR 128  
 CYSS 129
{OMEGA=free SER 130}
{OMEGA=free TRP 131}
{OMEGA=free PRO 132}
{OMEGA=free VAL 133}  
 CYSS 134
 THR 135  
 ARG+ 136  
 ASN 137  
 GLY 138  
 LEU 139  
 PROD 140
 VAL 141  
 CYSS 142  
 GLY 143  
 GLU- 144  
 THR 145  
 CYSS 146  
 VAL 147  
 GLY 148
 PGLY 149  
link N 120 C 148
kalata.upl0100644000006400000360000004112410132510722011021 0ustar  zhnmr136 ARG+ HN    136 ARG+ QB      2.99            #peak     2
137 ASN  HN    137 ASN  HA      2.50            #peak     6
128 THR  HN    128 THR  HB      3.81            #peak     8
123 ASN  HN    123 ASN  QB      3.08            #peak    10
148 GLY  HN    148 GLY  HA2     2.73            #peak    13
129 CYSS HN    129 CYSS HB2     2.91            #peak    14
129 CYSS HN    129 CYSS HB3     2.89            #peak    15
122 CYSS HN    122 CYSS HB2     2.96            #peak    16
122 CYSS HN    122 CYSS HB3     4.04            #peak    17
138 GLY  HN    138 GLY  HA2     2.61            #peak    18
126 GLY  HN    126 GLY  HA1     2.68            #peak    19
143 GLY  HN    143 GLY  HA1     2.64            #peak    20
130 SER  HN    130 SER  HB3     3.98            #peak    22
130 SER  HN    130 SER  HB2     3.55            #peak    23
124 THR  HN    124 THR  HB      3.12            #peak    31
120 GLY  HN    120 GLY  HA1     2.79            #peak    32
121 THR  HN    121 THR  HB      3.53            #peak    36
127 CYSS HN    127 CYSS HB2     2.76            #peak    39
142 CYSS HN    142 CYSS HB2     2.95            #peak    41
127 CYSS HN    127 CYSS HB3     3.58            #peak    42
134 CYSS HN    134 CYSS HB2     3.06            #peak    43
134 CYSS HN    134 CYSS HB3     4.14            #peak    44
133 VAL  HN    133 VAL  QQG     3.24            #peak    45
133 VAL  HN    133 VAL  HB      3.52            #peak    46
139 LEU  HN    139 LEU  HB2     2.91            #peak    48
144 GLU  HN    144 GLU  HB3     4.13            #peak    51
144 GLU  HN    144 GLU  HG2     5.32            #peak    53
136 ARG+ HG3   136 ARG+ HE      3.77            #peak    55
128 THR  HN    128 THR  QG2     3.75            #peak    56
124 THR  HN    124 THR  QG2     4.76            #peak    57
139 LEU  HN    139 LEU  HG      3.25            #peak    58
147 VAL  HN    147 VAL  HB      2.74            #peak    59
121 THR  HA    122 CYSS HN      2.45            #peak    61
131 TRP  HN    131 TRP  QB      2.64            #peak    63
147 VAL  HN    147 VAL  QG1     4.04            #peak    69
147 VAL  HN    147 VAL  QG2     2.96            #peak    70
141 VAL  HN    141 VAL  QG2     2.87            #peak    71
141 VAL  HN    141 VAL  QG1     3.35            #peak    72
123 ASN  QB    123 ASN  HD21    3.63            #peak    74
137 ASN  HB2   137 ASN  HD21    3.47            #peak    78
145 THR  HN    145 THR  QG2     3.29            #peak    83
135 THR  HN    135 THR  QG2     3.43            #peak    85
139 LEU  HN    139 LEU  QD2     4.55            #peak    86
139 LEU  HN    139 LEU  QD1     4.96            #peak    87
131 TRP  HN    131 TRP  HD1     5.97            #peak    88
131 TRP  HA    131 TRP  HD1     3.83            #peak    90
131 TRP  QB    131 TRP  HD1     2.93            #peak    91
131 TRP  QB    131 TRP  HE3     3.10            #peak    96
120 GLY  HN    131 TRP  HE1     4.89            #peak    97
128 THR  HN    135 THR  HN      3.07            #peak   101
130 SER  HN    135 THR  HN      4.75            #peak   102
137 ASN  HN    138 GLY  HN      3.24            #peak   104
147 VAL  HN    148 GLY  HN      3.32            #peak   106
146 CYSS HN    147 VAL  HN      3.78            #peak   110
123 ASN  HN    124 THR  HN      3.12            #peak   111
143 GLY  HN    144 GLU  HN      3.40            #peak   113
142 CYSS HN    143 GLY  HN      3.04            #peak   114
138 GLY  HN    139 LEU  HN      3.07            #peak   115
126 GLY  HN    127 CYSS HN      3.22            #peak   116
120 GLY  HN    148 GLY  HN      3.44            #peak   117
141 VAL  HN    142 CYSS HN      3.18            #peak   121
120 GLY  HN    121 THR  HN      3.53            #peak   122
120 GLY  HN    131 TRP  HD1     4.12            #peak   129
131 TRP  HE1   147 VAL  QG1     4.23            #peak   136
131 TRP  HE1   147 VAL  QG2     6.00            #peak   137
131 TRP  HE1   147 VAL  HA      2.82            #peak   138
127 CYSS HB3   135 THR  HN      5.02            #peak   139
134 CYSS HB2   135 THR  HN      5.79            #peak   140
129 CYSS HA    135 THR  HN      4.39            #peak   141
136 ARG+ HA    137 ASN  HN      2.52            #peak   142
127 CYSS HA    128 THR  HN      2.48            #peak   143
128 THR  HN    134 CYSS HA      5.58            #peak   144
127 CYSS HB2   128 THR  HN      5.08            #peak   145
127 CYSS HB3   128 THR  HN      3.49            #peak   146
136 ARG+ QB    137 ASN  HN      3.94            #peak   147
136 ARG+ HG2   137 ASN  HN      4.77            #peak   148
122 CYSS HB3   123 ASN  HN      4.02            #peak   149
145 THR  HB    147 VAL  HN      4.06            #peak   150
122 CYSS HA    123 ASN  HN      2.61            #peak   151
146 CYSS HA    147 VAL  HN      2.89            #peak   152
146 CYSS HA    148 GLY  HN      4.07            #peak   153
147 VAL  HB    148 GLY  HN      3.12            #peak   155
147 VAL  QG1   148 GLY  HN      4.24            #peak   156
147 VAL  QG2   148 GLY  HN      5.38            #peak   157
128 THR  QG2   129 CYSS HN      3.99            #peak   158
128 THR  HB    129 CYSS HN      3.21            #peak   159
128 THR  HA    129 CYSS HN      2.58            #peak   160
130 SER  HN    135 THR  QG2     4.31            #peak   161
129 CYSS HA    130 SER  HN      2.53            #peak   162
130 SER  HN    134 CYSS HA      3.35            #peak   163
125 PROD HB3   126 GLY  HN      3.87            #peak   164
121 THR  QG2   122 CYSS HN      3.78            #peak   166
121 THR  HB    122 CYSS HN      3.61            #peak   167
125 PROD HA    126 GLY  HN      2.43            #peak   168
135 THR  HB    136 ARG+ HN      2.69            #peak   169
137 ASN  HA    138 GLY  HN      3.03            #peak   170
135 THR  HA    136 ARG+ HN      2.48            #peak   171
131 TRP  HA    133 VAL  HN      3.17            #peak   174
132 PRO  HA    133 VAL  HN      3.56            #peak   175
142 CYSS HB2   143 GLY  HN      3.72            #peak   176
132 PRO  HD2   133 VAL  HN      3.66            #peak   177
132 PRO  QG    133 VAL  HN      5.09            #peak   178
144 GLU  HA    145 THR  HN      2.47            #peak   180
144 GLU  HG2   145 THR  HN      4.18            #peak   182
144 GLU  HB2   145 THR  HN      4.03            #peak   183
144 GLU  HB3   145 THR  HN      3.86            #peak   184
145 THR  HA    146 CYSS HN      2.40            #peak   185
133 VAL  HA    146 CYSS HN      3.34            #peak   186
145 THR  QG2   146 CYSS HN      4.12            #peak   187
123 ASN  QB    124 THR  HN      3.71            #peak   188
122 CYSS HB3   124 THR  HN      3.69            #peak   189
120 GLY  HN    146 CYSS HA      5.15            #peak   191
120 GLY  HN    148 GLY  HA1     4.66            #peak   192
120 GLY  HN    148 GLY  HA2     4.08            #peak   193
120 GLY  HN    147 VAL  HA      5.18            #peak   194
120 GLY  HN    146 CYSS HB3     5.29            #peak   195
120 GLY  HN    146 CYSS HB2     3.67            #peak   196
140 PROD HA    141 VAL  HN      2.69            #peak   197
135 THR  HA    141 VAL  HN      3.46            #peak   198
121 THR  HN    146 CYSS HA      5.04            #peak   200
121 THR  HN    148 GLY  HA2     5.83            #peak   202
121 THR  HN    146 CYSS HB3     4.92            #peak   203
121 THR  HN    146 CYSS HB2     3.57            #peak   204
130 SER  HB3   131 TRP  HN      5.22            #peak   206
131 TRP  HN    132 PRO  HA      4.83            #peak   207
130 SER  HA    131 TRP  HN      2.59            #peak   208
126 GLY  HA2   127 CYSS HN      3.42            #peak   210
127 CYSS HN    136 ARG+ HA      5.28            #peak   211
141 VAL  QG2   142 CYSS HN      3.95            #peak   212
140 PROD HA    142 CYSS HN      3.85            #peak   213
133 VAL  QQG   134 CYSS HN      3.48            #peak   215
133 VAL  HB    134 CYSS HN      4.03            #peak   216
136 ARG+ HG2   137 ASN  HD21    6.00            #peak   217
134 CYSS HN    142 CYSS HB2     4.15            #peak   218
133 VAL  HA    134 CYSS HN      2.61            #peak   219
134 CYSS HN    145 THR  HA      3.11            #peak   220
120 GLY  HA2   131 TRP  HD1     4.09            #peak   221
120 GLY  HA1   131 TRP  HD1     3.41            #peak   222
131 TRP  HE3   132 PRO  HD3     3.28            #peak   223
131 TRP  HZ2   147 VAL  QG2     4.06            #peak   225
131 TRP  HZ2   147 VAL  QG1     3.07            #peak   226
142 CYSS HB2   144 GLU  HN      3.67            #peak   231
134 CYSS HB2   144 GLU  HN      4.13            #peak   232
142 CYSS HB3   144 GLU  HN      4.74            #peak   233
144 GLU  HN    145 THR  QG2     4.69            #peak   234
136 ARG+ HE    141 VAL  QG2     5.00            #peak   235
134 CYSS HA    135 THR  HN      2.51            #peak   238
134 CYSS HB3   135 THR  HN      3.76            #peak   242
121 THR  HN    121 THR  QG2     3.92            #peak   246
131 TRP  HD1   146 CYSS HB2     5.53            #peak   247
135 THR  HB    139 LEU  HN      3.17            #peak   253
136 ARG+ HN    141 VAL  HN      4.46            #peak   254
130 SER  HA    130 SER  HB3     2.98            #peak   265
129 CYSS HA    129 CYSS HB2     2.66            #peak   271
128 THR  HA    128 THR  QG2     3.23            #peak   276
128 THR  HA    128 THR  HB      2.69            #peak   277
124 THR  HA    124 THR  QG2     2.97            #peak   291
121 THR  HA    121 THR  QG2     3.12            #peak   304
141 VAL  HA    141 VAL  HB      2.53            #peak   341
136 ARG+ HG2   136 ARG+ QD      2.99            #peak   360
136 ARG+ QB    136 ARG+ QD      2.52            #peak   365
136 ARG+ HA    136 ARG+ QB      2.44            #peak   366
131 TRP  HA    131 TRP  QB      3.02            #peak   380
147 VAL  HA    147 VAL  QG1     2.98            #peak   382
147 VAL  HA    147 VAL  QG2     2.90            #peak   384
145 THR  HA    145 THR  QG2     2.64            #peak   407
133 VAL  HA    133 VAL  QQG     3.18            #peak   415
139 LEU  HB2   139 LEU  QD1     3.42            #peak   419
139 LEU  HA    139 LEU  QD2     2.66            #peak   420
139 LEU  HA    139 LEU  QD1     6.00            #peak   423
131 TRP  HA    132 PRO  HA      2.40            #peak   529
124 THR  HA    125 PROD HD3     2.44            #peak   533
132 PRO  HB3   147 VAL  QG2     3.19            #peak   548
133 VAL  HA    145 THR  QG2     3.54            #peak   550
133 VAL  HA    145 THR  HA      3.00            #peak   551
145 THR  HB    147 VAL  QG2     3.47            #peak   552
122 CYSS HB2   127 CYSS HB2     3.06            #peak   557
139 LEU  HB3   140 PROD HD3     3.77            #peak   558
124 THR  QG2   125 PROD HD2     3.06            #peak   560
139 LEU  HB3   140 PROD HD2     3.03            #peak   563
130 SER  HB3   135 THR  QG2     3.54            #peak   565
130 SER  HB2   135 THR  QG2     3.22            #peak   566
124 THR  HB    127 CYSS HB2     3.27            #peak   571
139 LEU  QD2   140 PROD HD3     3.55            #peak   573
143 GLY  HA1   145 THR  QG2     5.13            #peak   574
134 CYSS HB3   142 CYSS HB2     3.06            #peak   576
131 TRP  QB    132 PRO  HA      3.94            #peak   578
132 PRO  HD3   133 VAL  QQG     6.00            #peak   579
139 LEU  QD2   140 PROD HD2     3.56            #peak   581
136 ARG+ QD    141 VAL  QG2     4.47            #peak   584
134 CYSS HB2   144 GLU  HB3     5.18            #peak   587
134 CYSS HB2   144 GLU  HB2     4.57            #peak   588
124 THR  QG2   134 CYSS HB2     5.92            #peak   591
132 PRO  HD2   133 VAL  QQG     4.36            #peak   593
137 ASN  HB3   139 LEU  QD1     6.00            #peak   594
140 PROD HB2   141 VAL  QG1     4.66            #peak   595
124 THR  QG2   142 CYSS HB3     4.31            #peak   601
136 ARG+ QB    141 VAL  QG2     3.38            #peak   602
130 SER  HA    131 TRP  HA      5.01            #peak   603
133 VAL  QQG   145 THR  HA      4.00            #peak   609
129 CYSS HB2   131 TRP  QB      6.00            #peak   611
124 THR  QG2   125 PROD HD3     3.33            #peak   619
135 THR  QG2   140 PROD HA      2.86            #peak   625
129 CYSS HA    134 CYSS HB2     5.41            #peak   629
132 PRO  HB2   147 VAL  QG2     3.87            #peak   630
136 ARG+ HG2   141 VAL  QG2     3.88            #peak   633
136 ARG+ HG3   139 LEU  HB3     6.00            #peak   635
140 PROD QG    141 VAL  QG1     6.00            #peak   636
139 LEU  HB2   141 VAL  QG1     6.00            #peak   638
122 CYSS HB3   127 CYSS HB3     3.08            #peak   639
132 PRO  QG    133 VAL  HB      6.00            #peak   640
139 LEU  HB2   141 VAL  QG2     3.11            #peak   642
139 LEU  QD2   140 PROD QG      6.00            #peak   643
130 SER  HB2   133 VAL  QQG     6.00            #peak   645
138 GLY  HA1   139 LEU  HN      3.61            #peak   653
139 LEU  HN    141 VAL  QG2     4.62            #peak   657
136 ARG+ QB    136 ARG+ HG2     2.87            #peak   663
142 CYSS HN    142 CYSS HB3     3.62            #peak   664
136 ARG+ HN    141 VAL  QG2     3.53            #peak   666
137 ASN  HB2   141 VAL  QG2     4.86            #peak   668
126 GLY  HA1   127 CYSS HN      3.44            #peak   669
142 CYSS HB3   143 GLY  HN      6.00            #peak   678
131 TRP  HZ2   147 VAL  HA      4.68            #peak   227
131 TRP  HZ3   132 PRO  HD3     4.56            #peak   236
123 ASN  HA    123 ASN  QB      2.91            #peak   292
144 GLU  HA    144 GLU  HG2     3.96            #peak   315
144 GLU  HA    144 GLU  HG3     3.69            #peak   317
139 LEU  HA    139 LEU  HB3     3.02            #peak   342
139 LEU  HA    139 LEU  HG      3.60            #peak   348
136 ARG+ HA    136 ARG+ HG2     3.86            #peak   367
136 ARG+ HA    136 ARG+ QD      4.30            #peak   370
141 VAL  HA    141 VAL  QG2     3.54            #peak   390
141 VAL  HA    141 VAL  QG1     3.22            #peak   392
146 CYSS HA    146 CYSS HB3     2.85            #peak   402
135 THR  HA    135 THR  QG2     2.99            #peak   411
135 THR  HA    135 THR  HB      2.76            #peak   412
139 LEU  HA    140 PROD HD2     2.91            #peak   532
124 THR  HA    125 PROD HD2     2.92            #peak   534
127 CYSS HA    136 ARG+ QB      3.66            #peak   535
122 CYSS HB2   127 CYSS HA      4.74            #peak   536
127 CYSS HA    136 ARG+ HA      3.46            #peak   537
140 PROD HA    141 VAL  QG1     5.18            #peak   539
135 THR  HB    140 PROD HA      3.95            #peak   540
122 CYSS HB2   128 THR  HA      3.78            #peak   555
122 CYSS HB3   127 CYSS HB2     3.33            #peak   570
132 PRO  HB2   147 VAL  HA      4.23            #peak   583
129 CYSS HA    146 CYSS HB2     4.19            #peak   606
124 THR  HB    142 CYSS HB3     4.01            #peak   618
139 LEU  HA    140 PROD HD3     2.67            #peak   649
131 TRP  HD1   132 PRO  HA      4.05            #peak   654
131 TRP  HD1   147 VAL  HA      3.90            #peak   655
133 VAL  QQG   134 CYSS HA      4.63            #peak   670
131 TRP  HZ3   132 PRO  HD2     5.97            #peak   679
131 TRP  HZ3   132 PRO  QG      5.92            #peak   680
134 CYSS HA    146 CYSS HB3     4.46            #peak   681
131 TRP  HA    132 PRO  HB2     4.82            #peak   685
136 ARG+ QD    142 CYSS HA      4.47            #peak   687
135 THR  HA    140 PROD HB3     4.02            #peak   690
122 CYSS HB3   128 THR  HA      5.03            #peak   697
124 THR  HA    125 PROD HG2     4.94            #peak   699
124 THR  HA    125 PROD HG3     4.56            #peak   700
124 THR  HB    127 CYSS HB3     4.50            #peak   701
127 CYSS HA    128 THR  QG2     5.15            #peak   703
126 GLY  HA2   136 ARG+ QD      4.15            #peak   706
122 CYSS HB2   124 THR  HB      5.08            #peak   713
142 CYSS HB2   144 GLU  HB2     5.02            #peak   717
132 PRO  HA    133 VAL  HA      5.30            #peak   720
133 VAL  HB    145 THR  HA      5.97            #peak   730
146 CYSS HA    146 CYSS HB2     2.99            #peak   733
124 THR  QG2   125 PROD HA      4.99            #peak   741
124 THR  QG2   142 CYSS HA      4.18            #peak   742
142 CYSS HB3   144 GLU  HB2     4.48            #peak   749
142 CYSS HB3   144 GLU  HB3     4.93            #peak   750
142 CYSS HB2   144 GLU  HB3     5.57            #peak   751
129 CYSS HA    134 CYSS HA      2.92            #peak   752
127 CYSS HA    136 ARG+ QD      5.27            #peak   753
122 CYSS HA    146 CYSS HB2     4.03            #peak   755
122 CYSS HA    146 CYSS HB3     4.10            #peak   756
127 CYSS HA    128 THR  HA      5.29            #peak   757
126 GLY  HA2   127 CYSS HA      5.58            #peak   758
129 CYSS HA    146 CYSS HB3     4.00            #peak   759
131 TRP  HA    132 PRO  HB3     4.82            #peak   763
132 PRO  HB3   147 VAL  HA      3.93            #peak   764
kal_new.aco0100644000006400000360000000671710132471660011166 0ustar  zhnmr#  PHI   -150.0   -90.0  >8
#  PHI    -80.0   -40.0  <6
#  PHI   -180.0   -70.0  #7 (12)
#  PHI   -100.0   220.0  #7 (12)
#  PHI     40.0    80.0  7 (3)



#129 CYSS     OMEGA    175.0   185.0  5.0
130 SER     OMEGA    175.0   185.0  5.0
131 TRP     OMEGA    175.0   185.0  5.0
132 PRO     OMEGA    -8.0     8.0  5.0
133 VAL     OMEGA    175.0   185.0  5.0
#134 CYSS     OMEGA    175.0   185.0  5.0
#140 PROD     OMEGA    170.0   190.0  5.0 

130 SER     PHI   -150.0   -90.0 #>8
   130 SER  CHI1    30.0   330.0  # .....
   130 SER  CHI1  -210.0    90.0  # .....
   130 SER  CHI1   -90.0   210.0  # .....

131 TRP     PHI    -80.0   -20.0 #<6
#   131 TRP  CHI1    30.0   330.0  # .....
#   131 TRP  CHI1  -210.0    90.0  # .....
#   131 TRP  CHI1   -90.0   210.0  # .....

133 VAL     PHI   -150.0   -90.0 #>8
   133 VAL  CHI1    30.0   330.0  # .....
   133 VAL  CHI1  -210.0    90.0  # .....
   133 VAL  CHI1   -90.0   210.0  # .....

134 CYSS    PHI   -180.0   -60.0 # HN HA 7.4 1.5!!!!!!!!!!!!!!!!!!!!!!!
134 CYSS    PHI   -100.0   220.0 # 7 (12)
   134 CYSS    CHI1   -90.0   -30.0 #-60ACME

135 THR     PHI   -150.0   -90.0 # HN HA 10.6 1.5
   135 THR  CHI1    30.0    90.0  #+60ACME

136 ARG+    PHI  -150.0    -90.0 # HN HA 9.2 1.5
   136 ARG+ CHI1    30.0   330.0  # .....
   136 ARG+ CHI1  -210.0    90.0  # .....
   136 ARG+ CHI1   -90.0   210.0  # .....

137 ASN     PHI     40.0    80.0 # HN HA 7.1 1.5 (3)
   137 ASN CHI1    30.0   330.0  # .....
   137 ASN CHI1  -210.0    90.0  # .....
   137 ASN CHI1   -90.0   210.0  # .....

139 LEU    PHI   -150.0   -90.0 # HN HA 8.7 1.5
   139 LEU CHI1   -90.0   -30.0 #-60ACME
   139 LEU CHI2     150.0   210.0 #180ACME

141 VAL    PHI   -150.0   -90.0 # HN HA 10.6 1.5
   141 VAL CHI1   -90.0   -30.0 #-60

142 CYSS   PHI   -180.0   -60.0 # HN HA 7.4 1.5
142 CYSS   PHI   -100.0   220.0 # 7 (12)
   142 CYSS CHI1   -90.0  -60.0 #-60ACME

144 GLU    PHI   -180.0   -60.0# HN HA 7.4 1.5
144 GLU    PHI   -100.0   220.0 # 7 (12)
   144 GLU CHI1    30.0   330.0  # .....
   144 GLU CHI1  -210.0    90.0  # .....
   144 GLU CHI1   -90.0   210.0  # .....

145 THR     PHI   -150.0   -90.0 # HN HA 10.6 1.5
   145 THR CHI1    30.0   330.0  # .....
   145 THR CHI1  -210.0    90.0  # .....
   145 THR CHI1   -90.0   210.0  # .....

146 CYSS    PHI   -150.0   -90.0 # HN HA 10.2 1.5
   146 CYSS  CHI1  30.0    90.0  #+60ACME.

147 VAL     PHI   -180.0   -60.0 # HN HA 7.2 1.5
147 VAL     PHI   -100.0   220.0 # 7 (12)
   147 VAL     CHI1   150.0   210.0 #180ACME

121 THR     PHI   -150.0   -90.0 #  HN HA 9.4 1.5
   121 THR    CHI1    30.0   330.0  # .....
   121 THR    CHI1  -210.0    90.0  # .....
   121 THR    CHI1   -90.0   210.0  # .....

122 CYSS    PHI   -150.0   -90.0 #  HN HA 8.7 1.5
   122 CYSS  CHI1    -90.0   -30.0 #-60ACME

123 ASN     PHI   -150.0   -90.0 #  HN HA 9.7 1.5
   123 ASN    CHI1    30.0   330.0  # .....
   123 ASN    CHI1  -210.0    90.0  # .....
   123 ASN    CHI1   -90.0   210.0  # .....
124 THR   PHI   -80.0   -20.0 #4-7
   124 THR    CHI1    30.0   330.0  # .....
   124 THR    CHI1  -210.0    90.0  # .....
   124 THR    CHI1   -90.0   210.0  # .....

127 CYSS    PHI   -150.0   -90.0 #  HN HA 10.0 1.5
   127 CYSS    CHI1   -90.0   -30.0  #-60ACME

128 THR     PHI   -150.0   -90.0 #  HN HA 9.4 1.5
   128 THR    CHI1    30.0   90.0  # +60

129 CYSS    PHI      -180.0   -60.0 #  HN HA 6.0 1.5
129 CYSS    PHI      -100.0   220.0 # 7 (12)
   129 CYSS    CHI1   150.0   210.0 #180ACME

lol.lol0100644000006400000360000000716410127761433010361 0ustar  zhnmr120 GLY  HN    146 CYSS HA      3.00            #peak    10
120 GLY  HA1   131 TRP  QB      3.00            #peak    22
122 CYSS HA    146 CYSS HB2     3.00            #peak    72
123 ASN  HN    123 ASN  HD21    3.00            #peak   102
123 ASN  HN    123 ASN  HD22    3.00            #peak   104
123 ASN  HN    144 GLU  HG2     3.00            #peak   108
123 ASN  HA    123 ASN  HD21    3.00            #peak   111
123 ASN  HD21  124 THR  HA      3.00            #peak   126
123 ASN  HD22  124 THR  HN      3.00            #peak   128
123 ASN  HD22  144 GLU  HG2     3.00            #peak   130
123 ASN  HD22  144 GLU  HG3     3.00            #peak   132
124 THR  HN    127 CYSS HB2     3.00            #peak   138
124 THR  HN    144 GLU  HG2     3.00            #peak   140
124 THR  HN    144 GLU  HG3     3.00            #peak   142
124 THR  QG2   127 CYSS HN      3.00            #peak   165
124 THR  QG2   136 ARG+ QD      3.00            #peak   174
124 THR  QG2   136 ARG+ HE      3.00            #peak   175
127 CYSS HB3   136 ARG+ QB      3.00            #peak   251
128 THR  QG2   138 GLY  HN      3.00            #peak   277
130 SER  HN    131 TRP  HN      3.00            #peak   306
130 SER  HN    146 CYSS HB3     3.00            #peak   310
130 SER  HB2   134 CYSS HN      3.00            #peak   321
#130 SER  HB2   134 CYSS HA      3.00            #peak   324
130 SER  HB2   135 THR  HN      3.00            #peak   325
130 SER  HB3   133 VAL  HB      3.00            #peak   330
130 SER  HB3   134 CYSS HN      3.00            #peak   333
130 SER  HB3   134 CYSS HA      3.00            #peak   336
130 SER  HB3   135 THR  HN      3.00            #peak   337
131 TRP  HA    146 CYSS HN      3.00            #peak   351
131 TRP  HE3   132 PRO  HA      3.00            #peak   368
131 TRP  HE3   132 PRO  QG      3.00            #peak   372
131 TRP  HZ3   132 PRO  QG      3.00            #peak   386
132 PRO  HA    147 VAL  QG2     3.00            #peak   405
133 VAL  HB    145 THR  HA      3.00            #peak   457
133 VAL  QQG   134 CYSS HB2     3.00            #peak   466
134 CYSS HN    145 THR  QG2     3.00            #peak   482
134 CYSS HB3   144 GLU  HB2     3.00            #peak   512
134 CYSS HB3   144 GLU  HB3     3.00            #peak   513
135 THR  HA    142 CYSS HB2     3.00            #peak   532
136 ARG+ HN    140 PRO  HA      3.00            #peak   550
#136 ARG+ QB    141 VAL  HN      3.00            #peak   571
136 ARG+ QB    142 CYSS HN      3.00            #peak   575
136 ARG+ QB    142 CYSS HA      3.00            #peak   577
136 ARG+ QB    142 CYSS HB2     3.00            #peak   580
136 ARG+ QB    142 CYSS HB3     3.00            #peak   582
136 ARG+ HG2   137 ASN  HB2     3.00            #peak   590
136 ARG+ HG2   137 ASN  HB3     3.00            #peak   592
136 ARG+ HG3   137 ASN  HB2     3.00            #peak   604
136 ARG+ HG3   137 ASN  HD21    3.00            #peak   607
136 ARG+ HE    142 CYSS HA      3.00            #peak   618
137 ASN  HA    137 ASN  HD21    3.00            #peak   629
137 ASN  HB2   139 LEU  HB2     3.00            #peak   640
137 ASN  HB3   137 ASN  HD21    3.00            #peak   645
137 ASN  HB3   137 ASN  HD22    3.00            #peak   647
137 ASN  HB3   139 LEU  HB2     3.00            #peak   650
137 ASN  HD21  139 LEU  QD1     3.00            #peak   656
137 ASN  HD22  139 LEU  QD1     3.00            #peak   658
142 CYSS HB2   144 GLU  HB2     3.00            #peak   793
142 CYSS HB3   144 GLU  HB2     3.00            #peak   797
142 CYSS HB3   144 GLU  HB3     3.00            #peak   799
144 GLU  HG3   145 THR  HN      3.00            #peak   849
#131 TRP  HA    132 PRO  HA      3.00
any500.cya0100644000006400000360000000223510233652151010561 0ustar  zhnmr# Simulated annealing and violation analysis

read lib kalata.lib      # read standard library
read seq kalata.seq       # read protein sequence

cut_cco=1.0
cut_aco=1.0
cut_upl=0.1
cut_lol=0.1
cut_vdw=0.1
hb_len=2.5
hb_ang=50
swap=1
expand=1
rmsdrange:=-

read aco kal_new.aco
read upl kalata.upl


read upl cycle.upl append                    # additional upper distance limits
read lol lol.lol

zh_hbond HN 123 OE2 144
zh_hbond HN 124 OE1 144
zh_hbond HN 127 O 124
zh_hbond HN 128 O 135
zh_hbond HN 130 O 133
zh_hbond HE1 131 O 147
zh_hbond HN 133 O 130
zh_hbond HN 134 O 144
zh_hbond HN 135 O 128
zh_hbond HN 136 O 139
zh_hbond HN 139 O 136
zh_hbond HN 141 O 139
zh_hbond HN 146 O 132

#ssbond 142-127                                    # disulfide bond
#ssbond 146-129                                  # disulfide bond
#ssbond 134-122


atom stereo "HA1 120 148 126 138 143"
atom stereo "HB2 140 125 132  139   146 127 129 122 134"
atom stereo "HD21 123 137"
atom stereo "HD2 140 125 132"
atom stereo "HG2 125"
atom stereo "QG1 141 147"
atom stereo "QD1 139"

atom stereo "HB2  142"

atom swap "HA1 138"

seed=5673
calc_all 1000


overview k500 structures=500  ang cor vdw


cycle.upl0100644000006400000360000000033410130017744010665 0ustar  zhnmr149 PGLY C  120 GLY C  0.01 
149 PGLY O  120 GLY O  0.01 
149 PGLY CA  120 GLY CA  0.01 
149 PGLY HA1 120 GLY HA1 0.01 
149 PGLY HA2 120 GLY HA2 0.01 
149 PGLY N   120 GLY N   0.01 
149 PGLY HN  120 GLY HN  0.01 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    CYS   1           H        CYS   1   4.254  -1.858  -3.058
    2    HA   CYS   1           HA       CYS   1   4.116  -4.190  -1.316
    3   1HB   CYS   1          1HB       CYS   1   2.238  -1.893  -1.843
    4   2HB   CYS   1          2HB       CYS   1   1.694  -3.360  -1.052
    5    H    GLY   2           H        GLY   2   2.698  -2.686  -4.298
    6   1HA   GLY   2          1HA       GLY   2   2.212  -3.811  -6.255
    7   2HA   GLY   2          2HA       GLY   2   2.301  -5.349  -5.420
    8    H    GLU   3           H        GLU   3   0.568  -3.871  -3.180
    9    HA   GLU   3           HA       GLU   3  -1.903  -4.741  -4.365
   10   1HB   GLU   3          1HB       GLU   3  -0.942  -5.183  -1.915
   11   2HB   GLU   3          2HB       GLU   3  -1.697  -3.642  -1.562
   12   1HG   GLU   3          1HG       GLU   3  -3.876  -4.483  -2.397
   13   2HG   GLU   3          2HG       GLU   3  -3.139  -6.005  -2.855
   14    H    THR   4           H        THR   4  -3.936  -3.365  -3.962
   15    HA   THR   4           HA       THR   4  -3.256  -0.511  -4.244
   16    HB   THR   4           HB       THR   4  -5.200  -0.440  -5.850
   17    HG1  THR   4           1HG      THR   4  -5.992  -2.629  -6.434
   18   1HG2  THR   4          1HG2      THR   4  -2.817  -2.231  -6.330
   19   2HG2  THR   4          2HG2      THR   4  -4.151  -2.301  -7.506
   20   3HG2  THR   4          3HG2      THR   4  -3.313  -0.761  -7.202
   21    H    CYS   5           H        CYS   5  -4.339   0.940  -3.005
   22    HA   CYS   5           HA       CYS   5  -6.248  -0.254  -1.143
   23   1HB   CYS   5          1HB       CYS   5  -5.679   1.394   0.422
   24   2HB   CYS   5          2HB       CYS   5  -4.164   0.826  -0.251
   25    H    VAL   6           H        VAL   6  -7.312   0.118  -3.644
   26    HA   VAL   6           HA       VAL   6  -8.219   2.678  -4.245
   27    HB   VAL   6           HB       VAL   6  -9.206  -0.099  -4.870
   28   1HG1  VAL   6          1HG1      VAL   6 -11.153   1.400  -4.896
   29   2HG1  VAL   6          2HG1      VAL   6 -10.288   2.511  -5.985
   30   3HG1  VAL   6          3HG1      VAL   6 -10.716   0.875  -6.540
   31   1HG2  VAL   6          1HG2      VAL   6  -8.439   0.730  -7.209
   32   2HG2  VAL   6          2HG2      VAL   6  -7.570   1.991  -6.302
   33   3HG2  VAL   6          3HG2      VAL   6  -7.203   0.274  -6.011
   34    H    GLY   7           H        GLY   7  -9.146   0.392  -1.754
   35   1HA   GLY   7          1HA       GLY   7 -11.775   1.523  -1.343
   36   2HA   GLY   7          2HA       GLY   7 -10.971   0.295  -0.387
   37    H    GLY   8           H        GLY   8  -8.426   1.928  -0.123
   38   1HA   GLY   8          1HA       GLY   8  -8.053   4.163   0.790
   39   2HA   GLY   8          2HA       GLY   8  -9.466   3.925   1.799
   40    H    THR   9           H        THR   9  -7.721   0.983   1.360
   41    HA   THR   9           HA       THR   9  -5.892   1.443   3.558
   42    HB   THR   9           HB       THR   9  -8.191  -0.573   3.761
   43    HG1  THR   9           1HG      THR   9  -9.029   1.476   4.243
   44   1HG2  THR   9          1HG2      THR   9  -6.033   0.337   5.737
   45   2HG2  THR   9          2HG2      THR   9  -7.423  -0.694   6.154
   46   3HG2  THR   9          3HG2      THR   9  -6.177  -1.291   5.031
   47    H    CYS  10           H        CYS  10  -4.560  -0.570   3.997
   48    HA   CYS  10           HA       CYS  10  -4.273  -2.016   1.464
   49   1HB   CYS  10          1HB       CYS  10  -2.141  -1.065   3.384
   50   2HB   CYS  10          2HB       CYS  10  -1.845  -2.219   2.099
   51    H    ASN  11           H        ASN  11  -3.958  -4.296   1.631
   52    HA   ASN  11           HA       ASN  11  -4.784  -5.351   4.168
   53   1HB   ASN  11          1HB       ASN  11  -5.598  -6.093   1.777
   54   2HB   ASN  11          2HB       ASN  11  -4.084  -6.969   1.678
   55   1HD2  ASN  11          1HD2      ASN  11  -7.070  -7.624   2.000
   56   2HD2  ASN  11          2HD2      ASN  11  -7.124  -8.827   3.245
   57    H    THR  12           H        THR  12  -2.006  -5.379   1.867
   58    HA   THR  12           HA       THR  12  -0.475  -7.335   3.182
   59    HB   THR  12           HB       THR  12   0.179  -5.009   1.305
   60    HG1  THR  12           1HG      THR  12  -1.172  -6.867   0.600
   61   1HG2  THR  12          1HG2      THR  12   1.922  -7.460   1.728
   62   2HG2  THR  12          2HG2      THR  12   2.354  -5.900   0.988
   63   3HG2  THR  12          3HG2      THR  12   2.163  -6.026   2.753
   64    HA   PRO  13           HA       PRO  13   0.633  -5.451   6.709
   65   1HB   PRO  13          1HB       PRO  13   2.852  -6.877   7.468
   66   2HB   PRO  13          2HB       PRO  13   1.170  -7.488   7.619
   67   1HG   PRO  13          1HG       PRO  13   3.250  -8.078   5.514
   68   2HG   PRO  13          2HG       PRO  13   1.942  -9.126   6.157
   69   1HD   PRO  13          1HD       PRO  13   1.835  -7.803   3.700
   70   2HD   PRO  13          2HD       PRO  13   0.390  -8.324   4.631
   71    H    GLY  14           H        GLY  14   1.493  -3.578   7.461
   72   1HA   GLY  14          1HA       GLY  14   3.028  -1.932   7.684
   73   2HA   GLY  14          2HA       GLY  14   4.222  -2.942   6.895
   74    H    CYS  15           H        CYS  15   1.280  -2.720   5.085
   75    HA   CYS  15           HA       CYS  15   2.632  -0.950   3.217
   76   1HB   CYS  15          1HB       CYS  15   0.317  -2.863   2.942
   77   2HB   CYS  15          2HB       CYS  15   0.706  -1.687   1.703
   78    H    THR  16           H        THR  16   1.950   1.164   2.950
   79    HA   THR  16           HA       THR  16  -0.396   1.984   4.495
   80    HB   THR  16           HB       THR  16   0.627   4.252   4.198
   81    HG1  THR  16           1HG      THR  16   2.320   4.398   2.719
   82   1HG2  THR  16          1HG2      THR  16   2.798   3.872   5.344
   83   2HG2  THR  16          2HG2      THR  16   1.545   2.832   6.064
   84   3HG2  THR  16          3HG2      THR  16   2.728   2.143   4.926
   85    H    CYS  17           H        CYS  17  -2.024   3.377   3.598
   86    HA   CYS  17           HA       CYS  17  -2.720   2.524   0.971
   87   1HB   CYS  17          1HB       CYS  17  -4.411   2.749   2.701
   88   2HB   CYS  17          2HB       CYS  17  -4.054   4.456   2.878
   89    H    SER  18           H        SER  18  -1.143   3.402  -0.472
   90    HA   SER  18           HA       SER  18  -1.015   6.300  -0.517
   91   1HB   SER  18          1HB       SER  18   1.172   5.492  -0.708
   92   2HB   SER  18          2HB       SER  18   0.689   4.077  -1.623
   93    HG   SER  18           HG       SER  18   1.468   6.575  -2.530
   94    H    TRP  19           H        TRP  19  -3.419   6.144  -1.216
   95    HA   TRP  19           HA       TRP  19  -4.455   4.809  -3.261
   96   1HB   TRP  19          1HB       TRP  19  -5.222   6.957  -1.746
   97   2HB   TRP  19          2HB       TRP  19  -5.190   7.653  -3.354
   98    HD1  TRP  19           HD       TRP  19  -7.031   4.913  -1.346
   99    HE1  TRP  19           1HE      TRP  19  -9.287   4.221  -2.527
  100    HE3  TRP  19           3HE      TRP  19  -6.250   7.611  -5.584
  101    HZ2  TRP  19           2HZ      TRP  19 -10.466   4.866  -5.045
  102    HZ3  TRP  19           3HZ      TRP  19  -8.003   7.526  -7.355
  103    HH2  TRP  19           HH       TRP  19 -10.054   6.214  -7.137
  104    HA   PRO  20           HA       PRO  20  -5.550   4.815  -4.818
  105   1HB   PRO  20          1HB       PRO  20  -5.644   3.528  -7.228
  106   2HB   PRO  20          2HB       PRO  20  -6.469   5.043  -6.917
  107   1HG   PRO  20          1HG       PRO  20  -3.997   4.562  -8.465
  108   2HG   PRO  20          2HG       PRO  20  -5.055   5.958  -8.493
  109   1HD   PRO  20          1HD       PRO  20  -2.505   5.763  -7.194
  110   2HD   PRO  20          2HD       PRO  20  -3.615   7.117  -7.126
  111    H    VAL  21           H        VAL  21  -2.334   4.105  -5.318
  112    HA   VAL  21           HA       VAL  21  -2.817   1.234  -5.060
  113    HB   VAL  21           HB       VAL  21  -1.380   2.305  -6.889
  114   1HG1  VAL  21          1HG1      VAL  21   0.898   2.255  -4.960
  115   2HG1  VAL  21          2HG1      VAL  21   0.663   3.223  -6.436
  116   3HG1  VAL  21          3HG1      VAL  21  -0.174   3.676  -4.932
  117   1HG2  VAL  21          1HG2      VAL  21  -0.350   0.304  -7.148
  118   2HG2  VAL  21          2HG2      VAL  21   0.328   0.316  -5.502
  119   3HG2  VAL  21          3HG2      VAL  21  -1.366  -0.162  -5.762
  120    H    CYS  22           H        CYS  22  -0.719   0.234  -3.756
  121    HA   CYS  22           HA       CYS  22  -0.957   1.510  -1.145
  122   1HB   CYS  22          1HB       CYS  22  -0.366  -1.303  -2.028
  123   2HB   CYS  22          2HB       CYS  22   0.064  -0.759  -0.419
  124    H    THR  23           H        THR  23   1.166   1.212   0.245
  125    HA   THR  23           HA       THR  23   3.581   1.321  -1.376
  126    HB   THR  23           HB       THR  23   4.045   3.522   0.115
  127    HG1  THR  23           1HG      THR  23   1.799   3.138   1.032
  128   1HG2  THR  23          1HG2      THR  23   2.887   4.916  -1.727
  129   2HG2  THR  23          2HG2      THR  23   4.096   3.742  -2.301
  130   3HG2  THR  23          3HG2      THR  23   2.360   3.368  -2.431
  131    H    ARG  24           H        ARG  24   5.572   1.401   0.046
  132    HA   ARG  24           HA       ARG  24   4.967   0.200   2.618
  133   1HB   ARG  24          1HB       ARG  24   5.537  -1.730   1.335
  134   2HB   ARG  24          2HB       ARG  24   6.762  -0.877   0.417
  135   1HG   ARG  24          1HG       ARG  24   8.382  -1.230   2.001
  136   2HG   ARG  24          2HG       ARG  24   7.295  -0.886   3.333
  137   1HD   ARG  24          1HD       ARG  24   7.192  -3.115   3.756
  138   2HD   ARG  24          2HD       ARG  24   6.343  -3.326   2.238
  139    HE   ARG  24           HE       ARG  24   8.974  -3.206   1.427
  140   1HH1  ARG  24          2HH2      ARG  24   7.302  -5.113   3.866
  141   2HH1  ARG  24          1HH2      ARG  24   8.383  -6.461   3.737
  142   1HH2  ARG  24          2HH1      ARG  24  10.399  -4.983   1.255
  143   2HH2  ARG  24          1HH1      ARG  24  10.156  -6.386   2.241
  144    H    ASN  25           H        ASN  25   5.960   1.414   4.198
  145    HA   ASN  25           HA       ASN  25   7.343   2.736   5.215
  146   1HB   ASN  25          1HB       ASN  25   9.270   1.406   3.270
  147   2HB   ASN  25          2HB       ASN  25   9.851   2.661   4.346
  148   1HD2  ASN  25          1HD2      ASN  25  10.285  -0.303   4.138
  149   2HD2  ASN  25          2HD2      ASN  25  10.006  -0.936   5.725
  150    H    GLY  26           H        GLY  26   5.908   3.569   2.629
  151   1HA   GLY  26          1HA       GLY  26   5.657   5.633   1.679
  152   2HA   GLY  26          2HA       GLY  26   7.199   6.144   2.335
  153    H    LEU  27           H        LEU  27   6.984   3.053   0.614
  154    HA   LEU  27           HA       LEU  27   7.909   4.282  -1.851
  155   1HB   LEU  27          1HB       LEU  27   9.518   2.114  -0.510
  156   2HB   LEU  27          2HB       LEU  27   9.897   2.973  -1.989
  157    HG   LEU  27           HG       LEU  27   9.670   4.427   0.645
  158   1HD1  LEU  27          1HD1      LEU  27  11.842   3.978   1.262
  159   2HD1  LEU  27          2HD1      LEU  27  11.332   2.405   0.604
  160   3HD1  LEU  27          3HD1      LEU  27  12.331   3.500  -0.382
  161   1HD2  LEU  27          1HD2      LEU  27   9.903   5.376  -1.897
  162   2HD2  LEU  27          2HD2      LEU  27  10.462   6.228  -0.437
  163   3HD2  LEU  27          3HD2      LEU  27  11.611   5.275  -1.406
  164    HA   PRO  28           HA       PRO  28   5.059   1.448  -3.106
  165   1HB   PRO  28          1HB       PRO  28   5.286   1.674  -5.832
  166   2HB   PRO  28          2HB       PRO  28   4.415   2.858  -4.799
  167   1HG   PRO  28          1HG       PRO  28   7.192   3.004  -5.971
  168   2HG   PRO  28          2HG       PRO  28   6.025   4.323  -5.622
  169   1HD   PRO  28          1HD       PRO  28   8.233   3.710  -4.025
  170   2HD   PRO  28          2HD       PRO  28   6.761   4.552  -3.433
  171    H    VAL  29           H        VAL  29   5.864  -0.494  -2.212
  172    HA   VAL  29           HA       VAL  29   6.864  -2.227  -4.324
  173    HB   VAL  29           HB       VAL  29   8.654  -3.080  -2.934
  174   1HG1  VAL  29          1HG1      VAL  29  10.177  -1.143  -3.022
  175   2HG1  VAL  29          2HG1      VAL  29   9.175  -1.263  -4.488
  176   3HG1  VAL  29          3HG1      VAL  29   8.781  -0.060  -3.236
  177   1HG2  VAL  29          1HG2      VAL  29   8.286  -0.826  -0.970
  178   2HG2  VAL  29          2HG2      VAL  29   7.409  -2.361  -0.759
  179   3HG2  VAL  29          3HG2      VAL  29   9.189  -2.349  -0.790
  Start of MODEL    2
    1    H    CYS   1           H        CYS   1   4.266  -1.912  -3.018
    2    HA   CYS   1           HA       CYS   1   4.056  -4.241  -1.280
    3   1HB   CYS   1          1HB       CYS   1   2.221  -1.914  -1.830
    4   2HB   CYS   1          2HB       CYS   1   1.662  -3.362  -1.016
    5    H    GLY   2           H        GLY   2   2.729  -2.705  -4.284
    6   1HA   GLY   2          1HA       GLY   2   2.220  -3.810  -6.242
    7   2HA   GLY   2          2HA       GLY   2   2.276  -5.353  -5.413
    8    H    GLU   3           H        GLU   3   0.553  -3.910  -3.169
    9    HA   GLU   3           HA       GLU   3  -1.924  -4.702  -4.389
   10   1HB   GLU   3          1HB       GLU   3  -0.990  -5.206  -1.940
   11   2HB   GLU   3          2HB       GLU   3  -1.719  -3.657  -1.565
   12   1HG   GLU   3          1HG       GLU   3  -3.908  -4.443  -2.430
   13   2HG   GLU   3          2HG       GLU   3  -3.195  -5.970  -2.911
   14    H    THR   4           H        THR   4  -3.935  -3.298  -3.980
   15    HA   THR   4           HA       THR   4  -3.207  -0.450  -4.182
   16    HB   THR   4           HB       THR   4  -5.140  -0.322  -5.820
   17    HG1  THR   4           1HG      THR   4  -4.821  -3.230  -5.708
   18   1HG2  THR   4          1HG2      THR   4  -4.014  -2.072  -7.536
   19   2HG2  THR   4          2HG2      THR   4  -3.202  -0.542  -7.125
   20   3HG2  THR   4          3HG2      THR   4  -2.715  -2.054  -6.320
   21    H    CYS   5           H        CYS   5  -4.366   1.010  -2.998
   22    HA   CYS   5           HA       CYS   5  -6.293  -0.216  -1.174
   23   1HB   CYS   5          1HB       CYS   5  -5.780   1.442   0.407
   24   2HB   CYS   5          2HB       CYS   5  -4.247   0.872  -0.222
   25    H    VAL   6           H        VAL   6  -7.358   0.125  -3.651
   26    HA   VAL   6           HA       VAL   6  -8.254   2.675  -4.307
   27    HB   VAL   6           HB       VAL   6  -9.134  -0.130  -4.903
   28   1HG1  VAL   6          1HG1      VAL   6 -11.237   0.997  -4.871
   29   2HG1  VAL   6          2HG1      VAL   6 -10.568   2.416  -5.711
   30   3HG1  VAL   6          3HG1      VAL   6 -10.748   0.872  -6.578
   31   1HG2  VAL   6          1HG2      VAL   6  -8.605   0.833  -7.276
   32   2HG2  VAL   6          2HG2      VAL   6  -7.754   2.107  -6.370
   33   3HG2  VAL   6          3HG2      VAL   6  -7.270   0.405  -6.180
   34    H    GLY   7           H        GLY   7  -9.222   0.416  -1.794
   35   1HA   GLY   7          1HA       GLY   7 -11.825   1.619  -1.397
   36   2HA   GLY   7          2HA       GLY   7 -11.066   0.357  -0.446
   37    H    GLY   8           H        GLY   8  -8.475   1.891  -0.140
   38   1HA   GLY   8          1HA       GLY   8  -8.022   4.095   0.793
   39   2HA   GLY   8          2HA       GLY   8  -9.457   3.915   1.783
   40    H    THR   9           H        THR   9  -7.730   0.938   1.313
   41    HA   THR   9           HA       THR   9  -5.989   1.325   3.594
   42    HB   THR   9           HB       THR   9  -8.232  -0.757   3.654
   43    HG1  THR   9           1HG      THR   9  -9.145   1.331   3.959
   44   1HG2  THR   9          1HG2      THR   9  -7.612  -0.585   6.174
   45   2HG2  THR   9          2HG2      THR   9  -6.461  -1.459   5.135
   46   3HG2  THR   9          3HG2      THR   9  -6.118   0.216   5.631
   47    H    CYS  10           H        CYS  10  -4.632  -0.654   3.998
   48    HA   CYS  10           HA       CYS  10  -4.296  -2.078   1.457
   49   1HB   CYS  10          1HB       CYS  10  -2.173  -1.083   3.367
   50   2HB   CYS  10          2HB       CYS  10  -1.864  -2.197   2.049
   51    H    ASN  11           H        ASN  11  -3.864  -4.347   1.637
   52    HA   ASN  11           HA       ASN  11  -4.675  -5.422   4.171
   53   1HB   ASN  11          1HB       ASN  11  -4.027  -6.763   1.492
   54   2HB   ASN  11          2HB       ASN  11  -4.644  -7.618   2.892
   55   1HD2  ASN  11          1HD2      ASN  11  -5.909  -7.553   0.412
   56   2HD2  ASN  11          2HD2      ASN  11  -7.428  -6.732   0.545
   57    H    THR  12           H        THR  12  -1.923  -5.579   1.806
   58    HA   THR  12           HA       THR  12  -0.321  -7.384   3.177
   59    HB   THR  12           HB       THR  12   0.296  -5.036   1.313
   60    HG1  THR  12           1HG      THR  12   0.499  -7.060  -0.081
   61   1HG2  THR  12          1HG2      THR  12   2.058  -7.476   1.723
   62   2HG2  THR  12          2HG2      THR  12   2.478  -5.911   0.986
   63   3HG2  THR  12          3HG2      THR  12   2.288  -6.042   2.751
   64    HA   PRO  13           HA       PRO  13   0.700  -5.457   6.708
   65   1HB   PRO  13          1HB       PRO  13   2.949  -6.823   7.493
   66   2HB   PRO  13          2HB       PRO  13   1.281  -7.477   7.631
   67   1HG   PRO  13          1HG       PRO  13   3.396  -8.021   5.548
   68   2HG   PRO  13          2HG       PRO  13   2.109  -9.100   6.183
   69   1HD   PRO  13          1HD       PRO  13   1.990  -7.790   3.720
   70   2HD   PRO  13          2HD       PRO  13   0.550  -8.345   4.640
   71    H    GLY  14           H        GLY  14   1.504  -3.559   7.458
   72   1HA   GLY  14          1HA       GLY  14   2.998  -1.876   7.692
   73   2HA   GLY  14          2HA       GLY  14   4.222  -2.856   6.909
   74    H    CYS  15           H        CYS  15   1.287  -2.715   5.081
   75    HA   CYS  15           HA       CYS  15   2.605  -0.926   3.211
   76   1HB   CYS  15          1HB       CYS  15   0.302  -2.857   2.949
   77   2HB   CYS  15          2HB       CYS  15   0.692  -1.690   1.700
   78    H    THR  16           H        THR  16   1.926   1.189   2.989
   79    HA   THR  16           HA       THR  16  -0.434   1.985   4.517
   80    HB   THR  16           HB       THR  16   0.576   4.196   4.422
   81    HG1  THR  16           1HG      THR  16   2.529   2.975   2.623
   82   1HG2  THR  16          1HG2      THR  16   2.788   3.859   5.324
   83   2HG2  THR  16          2HG2      THR  16   1.866   2.420   5.820
   84   3HG2  THR  16          3HG2      THR  16   2.990   2.326   4.443
   85    H    CYS  17           H        CYS  17  -2.018   3.470   3.604
   86    HA   CYS  17           HA       CYS  17  -2.730   2.577   0.979
   87   1HB   CYS  17          1HB       CYS  17  -4.430   2.776   2.698
   88   2HB   CYS  17          2HB       CYS  17  -4.080   4.481   2.904
   89    H    SER  18           H        SER  18  -1.161   3.475  -0.458
   90    HA   SER  18           HA       SER  18  -1.063   6.375  -0.490
   91   1HB   SER  18          1HB       SER  18   0.698   4.176  -1.515
   92   2HB   SER  18          2HB       SER  18   0.653   5.646  -2.469
   93    HG   SER  18           HG       SER  18   1.907   6.581  -1.019
   94    H    TRP  19           H        TRP  19  -3.455   6.205  -1.209
   95    HA   TRP  19           HA       TRP  19  -4.470   4.861  -3.257
   96   1HB   TRP  19          1HB       TRP  19  -5.256   7.014  -1.754
   97   2HB   TRP  19          2HB       TRP  19  -5.220   7.700  -3.367
   98    HD1  TRP  19           HD       TRP  19  -7.043   4.941  -1.362
   99    HE1  TRP  19           1HE      TRP  19  -9.294   4.238  -2.546
  100    HE3  TRP  19           3HE      TRP  19  -6.285   7.667  -5.587
  101    HZ2  TRP  19           2HZ      TRP  19 -10.478   4.886  -5.060
  102    HZ3  TRP  19           3HZ      TRP  19  -8.037   7.576  -7.358
  103    HH2  TRP  19           HH       TRP  19 -10.078   6.246  -7.145
  104    HA   PRO  20           HA       PRO  20  -5.562   4.870  -4.823
  105   1HB   PRO  20          1HB       PRO  20  -5.644   3.582  -7.232
  106   2HB   PRO  20          2HB       PRO  20  -6.469   5.098  -6.927
  107   1HG   PRO  20          1HG       PRO  20  -3.989   4.614  -8.461
  108   2HG   PRO  20          2HG       PRO  20  -5.046   6.011  -8.495
  109   1HD   PRO  20          1HD       PRO  20  -2.504   5.815  -7.182
  110   2HD   PRO  20          2HD       PRO  20  -3.613   7.170  -7.120
  111    H    VAL  21           H        VAL  21  -2.344   4.160  -5.296
  112    HA   VAL  21           HA       VAL  21  -2.832   1.288  -5.035
  113    HB   VAL  21           HB       VAL  21  -0.166   2.564  -5.540
  114   1HG1  VAL  21          1HG1      VAL  21   0.264   0.342  -5.430
  115   2HG1  VAL  21          2HG1      VAL  21  -1.415  -0.114  -5.807
  116   3HG1  VAL  21          3HG1      VAL  21  -0.306   0.362  -7.116
  117   1HG2  VAL  21          1HG2      VAL  21  -0.947   2.058  -8.066
  118   2HG2  VAL  21          2HG2      VAL  21  -2.513   2.541  -7.372
  119   3HG2  VAL  21          3HG2      VAL  21  -1.124   3.652  -7.295
  120    H    CYS  22           H        CYS  22  -0.748   0.282  -3.730
  121    HA   CYS  22           HA       CYS  22  -0.956   1.586  -1.129
  122   1HB   CYS  22          1HB       CYS  22  -0.381  -1.248  -1.973
  123   2HB   CYS  22          2HB       CYS  22   0.004  -0.680  -0.361
  124    H    THR  23           H        THR  23   1.169   1.264   0.254
  125    HA   THR  23           HA       THR  23   3.578   1.311  -1.377
  126    HB   THR  23           HB       THR  23   4.103   3.525   0.050
  127    HG1  THR  23           1HG      THR  23   2.030   4.646   0.333
  128   1HG2  THR  23          1HG2      THR  23   4.054   3.672  -2.387
  129   2HG2  THR  23          2HG2      THR  23   2.295   3.402  -2.415
  130   3HG2  THR  23          3HG2      THR  23   2.951   4.924  -1.766
  131    H    ARG  24           H        ARG  24   5.576   1.381   0.038
  132    HA   ARG  24           HA       ARG  24   4.955   0.210   2.622
  133   1HB   ARG  24          1HB       ARG  24   5.525  -1.725   1.342
  134   2HB   ARG  24          2HB       ARG  24   6.768  -0.880   0.440
  135   1HG   ARG  24          1HG       ARG  24   8.362  -1.301   2.020
  136   2HG   ARG  24          2HG       ARG  24   7.303  -0.844   3.339
  137   1HD   ARG  24          1HD       ARG  24   6.444  -3.019   3.597
  138   2HD   ARG  24          2HD       ARG  24   6.752  -3.458   1.929
  139    HE   ARG  24           HE       ARG  24   8.673  -3.571   4.158
  140   1HH1  ARG  24          2HH2      ARG  24   8.248  -3.593   0.665
  141   2HH1  ARG  24          1HH2      ARG  24   9.771  -4.358   0.356
  142   1HH2  ARG  24          2HH1      ARG  24  10.683  -4.580   3.751
  143   2HH2  ARG  24          1HH1      ARG  24  11.165  -4.923   2.124
  144    H    ASN  25           H        ASN  25   5.921   1.464   4.186
  145    HA   ASN  25           HA       ASN  25   7.299   2.794   5.200
  146   1HB   ASN  25          1HB       ASN  25   9.264   1.441   3.303
  147   2HB   ASN  25          2HB       ASN  25   9.817   2.676   4.415
  148   1HD2  ASN  25          1HD2      ASN  25  10.225  -0.293   4.174
  149   2HD2  ASN  25          2HD2      ASN  25   9.892  -0.945   5.744
  150    H    GLY  26           H        GLY  26   5.920   3.581   2.565
  151   1HA   GLY  26          1HA       GLY  26   5.702   5.634   1.579
  152   2HA   GLY  26          2HA       GLY  26   7.245   6.138   2.240
  153    H    LEU  27           H        LEU  27   7.041   3.009   0.602
  154    HA   LEU  27           HA       LEU  27   7.998   4.176  -1.885
  155   1HB   LEU  27          1HB       LEU  27   9.556   2.002  -0.497
  156   2HB   LEU  27          2HB       LEU  27   9.972   2.854  -1.971
  157    HG   LEU  27           HG       LEU  27   9.705   4.346   0.633
  158   1HD1  LEU  27          1HD1      LEU  27  11.983   3.964   1.195
  159   2HD1  LEU  27          2HD1      LEU  27  11.235   2.370   0.934
  160   3HD1  LEU  27          3HD1      LEU  27  12.281   3.079  -0.320
  161   1HD2  LEU  27          1HD2      LEU  27  10.041   5.261  -1.885
  162   2HD2  LEU  27          2HD2      LEU  27  10.661   6.087  -0.435
  163   3HD2  LEU  27          3HD2      LEU  27  11.740   5.050  -1.399
  164    HA   PRO  28           HA       PRO  28   5.117   1.361  -3.112
  165   1HB   PRO  28          1HB       PRO  28   5.370   1.537  -5.840
  166   2HB   PRO  28          2HB       PRO  28   4.506   2.749  -4.835
  167   1HG   PRO  28          1HG       PRO  28   7.294   2.839  -5.986
  168   2HG   PRO  28          2HG       PRO  28   6.142   4.179  -5.669
  169   1HD   PRO  28          1HD       PRO  28   8.328   3.565  -4.043
  170   2HD   PRO  28          2HD       PRO  28   6.862   4.436  -3.479
  171    H    VAL  29           H        VAL  29   5.882  -0.578  -2.182
  172    HA   VAL  29           HA       VAL  29   6.893  -2.354  -4.255
  173    HB   VAL  29           HB       VAL  29   8.624  -3.229  -2.778
  174   1HG1  VAL  29          1HG1      VAL  29   9.226  -0.300  -2.826
  175   2HG1  VAL  29          2HG1      VAL  29  10.207  -1.682  -3.370
  176   3HG1  VAL  29          3HG1      VAL  29   8.851  -1.105  -4.369
  177   1HG2  VAL  29          1HG2      VAL  29   8.215  -0.870  -0.936
  178   2HG2  VAL  29          2HG2      VAL  29   7.396  -2.426  -0.657
  179   3HG2  VAL  29          3HG2      VAL  29   9.174  -2.346  -0.673
  Start of MODEL    3
    1    H    CYS   1           H        CYS   1   4.322  -1.865  -3.065
    2    HA   CYS   1           HA       CYS   1   4.079  -4.153  -1.278
    3   1HB   CYS   1          1HB       CYS   1   2.346  -1.766  -1.849
    4   2HB   CYS   1          2HB       CYS   1   1.658  -3.208  -1.129
    5    H    GLY   2           H        GLY   2   2.770  -2.668  -4.317
    6   1HA   GLY   2          1HA       GLY   2   2.239  -3.795  -6.251
    7   2HA   GLY   2          2HA       GLY   2   2.313  -5.328  -5.405
    8    H    GLU   3           H        GLU   3   0.596  -3.826  -3.174
    9    HA   GLU   3           HA       GLU   3  -1.887  -4.653  -4.375
   10   1HB   GLU   3          1HB       GLU   3  -0.940  -5.173  -1.938
   11   2HB   GLU   3          2HB       GLU   3  -1.657  -3.622  -1.546
   12   1HG   GLU   3          1HG       GLU   3  -3.857  -4.394  -2.409
   13   2HG   GLU   3          2HG       GLU   3  -3.153  -5.927  -2.883
   14    H    THR   4           H        THR   4  -3.896  -3.258  -3.970
   15    HA   THR   4           HA       THR   4  -3.181  -0.404  -4.123
   16    HB   THR   4           HB       THR   4  -5.091  -0.266  -5.796
   17    HG1  THR   4           1HG      THR   4  -5.978  -2.370  -4.925
   18   1HG2  THR   4          1HG2      THR   4  -3.879  -1.995  -7.504
   19   2HG2  THR   4          2HG2      THR   4  -3.156  -0.420  -7.097
   20   3HG2  THR   4          3HG2      THR   4  -2.600  -1.895  -6.270
   21    H    CYS   5           H        CYS   5  -4.337   1.010  -2.897
   22    HA   CYS   5           HA       CYS   5  -6.286  -0.257  -1.134
   23   1HB   CYS   5          1HB       CYS   5  -5.847   1.434   0.448
   24   2HB   CYS   5          2HB       CYS   5  -4.295   0.869  -0.139
   25    H    VAL   6           H        VAL   6  -7.376   0.032  -3.582
   26    HA   VAL   6           HA       VAL   6  -8.310   2.558  -4.283
   27    HB   VAL   6           HB       VAL   6  -9.198  -0.265  -4.811
   28   1HG1  VAL   6          1HG1      VAL   6 -10.507   2.257  -5.886
   29   2HG1  VAL   6          2HG1      VAL   6 -10.816   0.602  -6.465
   30   3HG1  VAL   6          3HG1      VAL   6 -11.250   1.058  -4.800
   31   1HG2  VAL   6          1HG2      VAL   6  -7.260   0.235  -6.028
   32   2HG2  VAL   6          2HG2      VAL   6  -8.574   0.541  -7.189
   33   3HG2  VAL   6          3HG2      VAL   6  -7.782   1.904  -6.362
   34    H    GLY   7           H        GLY   7  -9.228   0.336  -1.722
   35   1HA   GLY   7          1HA       GLY   7 -11.849   1.511  -1.337
   36   2HA   GLY   7          2HA       GLY   7 -11.074   0.269  -0.373
   37    H    GLY   8           H        GLY   8  -8.496   1.878  -0.138
   38   1HA   GLY   8          1HA       GLY   8  -8.056   4.089   0.780
   39   2HA   GLY   8          2HA       GLY   8  -9.494   3.912   1.767
   40    H    THR   9           H        THR   9  -7.775   0.930   1.341
   41    HA   THR   9           HA       THR   9  -6.025   1.344   3.610
   42    HB   THR   9           HB       THR   9  -8.175  -0.816   3.761
   43    HG1  THR   9           1HG      THR   9  -8.035   1.941   4.764
   44   1HG2  THR   9          1HG2      THR   9  -6.876  -1.319   5.594
   45   2HG2  THR   9          2HG2      THR   9  -5.992   0.222   5.490
   46   3HG2  THR   9          3HG2      THR   9  -7.573   0.156   6.304
   47    H    CYS  10           H        CYS  10  -4.578  -0.512   3.979
   48    HA   CYS  10           HA       CYS  10  -4.281  -2.005   1.475
   49   1HB   CYS  10          1HB       CYS  10  -2.176  -1.027   3.413
   50   2HB   CYS  10          2HB       CYS  10  -1.857  -2.150   2.106
   51    H    ASN  11           H        ASN  11  -3.928  -4.278   1.650
   52    HA   ASN  11           HA       ASN  11  -4.743  -5.343   4.186
   53   1HB   ASN  11          1HB       ASN  11  -5.671  -6.170   1.963
   54   2HB   ASN  11          2HB       ASN  11  -4.080  -6.787   1.565
   55   1HD2  ASN  11          1HD2      ASN  11  -4.508  -8.909   1.525
   56   2HD2  ASN  11          2HD2      ASN  11  -5.014  -9.859   2.882
   57    H    THR  12           H        THR  12  -1.992  -5.474   1.830
   58    HA   THR  12           HA       THR  12  -0.424  -7.348   3.173
   59    HB   THR  12           HB       THR  12   0.217  -5.009   1.306
   60    HG1  THR  12           1HG      THR  12  -0.102  -6.679  -0.192
   61   1HG2  THR  12          1HG2      THR  12   1.957  -7.465   1.723
   62   2HG2  THR  12          2HG2      THR  12   2.388  -5.911   0.970
   63   3HG2  THR  12          3HG2      THR  12   2.206  -6.023   2.737
   64    HA   PRO  13           HA       PRO  13   0.655  -5.452   6.704
   65   1HB   PRO  13          1HB       PRO  13   2.885  -6.859   7.469
   66   2HB   PRO  13          2HB       PRO  13   1.208  -7.484   7.616
   67   1HG   PRO  13          1HG       PRO  13   3.298  -8.057   5.516
   68   2HG   PRO  13          2HG       PRO  13   1.998  -9.116   6.156
   69   1HD   PRO  13          1HD       PRO  13   1.885  -7.795   3.698
   70   2HD   PRO  13          2HD       PRO  13   0.442  -8.329   4.626
   71    H    GLY  14           H        GLY  14   1.469  -3.549   7.416
   72   1HA   GLY  14          1HA       GLY  14   2.995  -1.894   7.652
   73   2HA   GLY  14          2HA       GLY  14   4.204  -2.896   6.875
   74    H    CYS  15           H        CYS  15   1.240  -2.672   5.078
   75    HA   CYS  15           HA       CYS  15   2.599  -0.952   3.173
   76   1HB   CYS  15          1HB       CYS  15   0.242  -2.818   2.970
   77   2HB   CYS  15          2HB       CYS  15   0.605  -1.651   1.714
   78    H    THR  16           H        THR  16   1.939   1.165   2.836
   79    HA   THR  16           HA       THR  16  -0.323   2.084   4.448
   80    HB   THR  16           HB       THR  16   0.771   4.354   3.779
   81    HG1  THR  16           1HG      THR  16   3.114   3.767   3.141
   82   1HG2  THR  16          1HG2      THR  16   2.867   2.614   5.086
   83   2HG2  THR  16          2HG2      THR  16   2.306   4.239   5.549
   84   3HG2  THR  16          3HG2      THR  16   1.311   2.812   5.927
   85    H    CYS  17           H        CYS  17  -1.960   3.477   3.576
   86    HA   CYS  17           HA       CYS  17  -2.715   2.599   0.956
   87   1HB   CYS  17          1HB       CYS  17  -4.385   2.720   2.701
   88   2HB   CYS  17          2HB       CYS  17  -4.063   4.423   2.955
   89    H    SER  18           H        SER  18  -1.232   3.559  -0.522
   90    HA   SER  18           HA       SER  18  -1.243   6.466  -0.516
   91   1HB   SER  18          1HB       SER  18   0.909   4.911  -0.700
   92   2HB   SER  18          2HB       SER  18   0.447   4.799  -2.387
   93    HG   SER  18           HG       SER  18   1.026   6.851  -2.731
   94    H    TRP  19           H        TRP  19  -3.616   6.195  -1.245
   95    HA   TRP  19           HA       TRP  19  -4.576   4.814  -3.291
   96   1HB   TRP  19          1HB       TRP  19  -5.490   6.867  -1.787
   97   2HB   TRP  19          2HB       TRP  19  -5.374   7.663  -3.344
   98    HD1  TRP  19           HD       TRP  19  -7.352   4.884  -1.570
   99    HE1  TRP  19           1HE      TRP  19  -9.491   4.192  -2.952
  100    HE3  TRP  19           3HE      TRP  19  -6.194   7.591  -5.716
  101    HZ2  TRP  19           2HZ      TRP  19 -10.437   4.840  -5.566
  102    HZ3  TRP  19           3HZ      TRP  19  -7.778   7.506  -7.638
  103    HH2  TRP  19           HH       TRP  19  -9.838   6.191  -7.609
  104    HA   PRO  20           HA       PRO  20  -5.634   4.738  -4.857
  105   1HB   PRO  20          1HB       PRO  20  -5.633   3.418  -7.250
  106   2HB   PRO  20          2HB       PRO  20  -6.537   4.893  -6.970
  107   1HG   PRO  20          1HG       PRO  20  -4.024   4.518  -8.481
  108   2HG   PRO  20          2HG       PRO  20  -5.151   5.858  -8.540
  109   1HD   PRO  20          1HD       PRO  20  -2.611   5.809  -7.208
  110   2HD   PRO  20          2HD       PRO  20  -3.789   7.106  -7.171
  111    H    VAL  21           H        VAL  21  -2.378   4.166  -5.366
  112    HA   VAL  21           HA       VAL  21  -2.731   1.282  -5.071
  113    HB   VAL  21           HB       VAL  21  -0.210   1.371  -5.552
  114   1HG1  VAL  21          1HG1      VAL  21  -1.317   0.491  -7.333
  115   2HG1  VAL  21          2HG1      VAL  21  -2.494   1.824  -7.404
  116   3HG1  VAL  21          3HG1      VAL  21  -0.861   2.040  -8.081
  117   1HG2  VAL  21          1HG2      VAL  21   0.814   3.291  -6.214
  118   2HG2  VAL  21          2HG2      VAL  21  -0.667   3.968  -6.932
  119   3HG2  VAL  21          3HG2      VAL  21  -0.424   4.029  -5.170
  120    H    CYS  22           H        CYS  22  -0.678   0.341  -3.719
  121    HA   CYS  22           HA       CYS  22  -0.929   1.679  -1.139
  122   1HB   CYS  22          1HB       CYS  22  -0.347  -1.163  -1.940
  123   2HB   CYS  22          2HB       CYS  22   0.048  -0.576  -0.337
  124    H    THR  23           H        THR  23   1.215   1.251   0.270
  125    HA   THR  23           HA       THR  23   3.616   1.391  -1.365
  126    HB   THR  23           HB       THR  23   4.217   3.541  -0.009
  127    HG1  THR  23           1HG      THR  23   2.465   4.382   1.110
  128   1HG2  THR  23          1HG2      THR  23   2.748   5.031  -1.482
  129   2HG2  THR  23          2HG2      THR  23   3.693   3.823  -2.384
  130   3HG2  THR  23          3HG2      THR  23   1.961   3.551  -2.078
  131    H    ARG  24           H        ARG  24   5.620   1.403   0.046
  132    HA   ARG  24           HA       ARG  24   5.010   0.089   2.564
  133   1HB   ARG  24          1HB       ARG  24   5.609  -1.720   1.060
  134   2HB   ARG  24          2HB       ARG  24   6.955  -0.817   0.395
  135   1HG   ARG  24          1HG       ARG  24   8.358  -1.406   2.105
  136   2HG   ARG  24          2HG       ARG  24   7.137  -1.126   3.331
  137   1HD   ARG  24          1HD       ARG  24   6.326  -3.317   3.236
  138   2HD   ARG  24          2HD       ARG  24   6.750  -3.521   1.548
  139    HE   ARG  24           HE       ARG  24   8.810  -4.374   2.227
  140   1HH1  ARG  24          2HH2      ARG  24   7.530  -2.359   4.812
  141   2HH1  ARG  24          1HH2      ARG  24   8.819  -2.724   5.909
  142   1HH2  ARG  24          2HH1      ARG  24  10.511  -4.857   3.674
  143   2HH2  ARG  24          1HH1      ARG  24  10.527  -4.155   5.257
  144    H    ASN  25           H        ASN  25   5.886   1.366   4.164
  145    HA   ASN  25           HA       ASN  25   7.221   2.686   5.247
  146   1HB   ASN  25          1HB       ASN  25   9.152   1.131   3.535
  147   2HB   ASN  25          2HB       ASN  25   9.794   2.555   4.329
  148   1HD2  ASN  25          1HD2      ASN  25   7.734  -0.273   4.979
  149   2HD2  ASN  25          2HD2      ASN  25   8.329  -0.621   6.568
  150    H    GLY  26           H        GLY  26   5.972   3.500   2.554
  151   1HA   GLY  26          1HA       GLY  26   5.815   5.575   1.594
  152   2HA   GLY  26          2HA       GLY  26   7.349   6.042   2.301
  153    H    LEU  27           H        LEU  27   7.070   2.939   0.603
  154    HA   LEU  27           HA       LEU  27   8.152   4.104  -1.830
  155   1HB   LEU  27          1HB       LEU  27   9.594   1.867  -0.415
  156   2HB   LEU  27          2HB       LEU  27  10.077   2.701  -1.878
  157    HG   LEU  27           HG       LEU  27   9.801   4.201   0.720
  158   1HD1  LEU  27          1HD1      LEU  27  12.313   3.832   0.960
  159   2HD1  LEU  27          2HD1      LEU  27  11.247   2.475   1.397
  160   3HD1  LEU  27          3HD1      LEU  27  12.107   2.464  -0.161
  161   1HD2  LEU  27          1HD2      LEU  27  11.887   4.824  -1.299
  162   2HD2  LEU  27          2HD2      LEU  27  10.197   5.133  -1.766
  163   3HD2  LEU  27          3HD2      LEU  27  10.874   5.905  -0.312
  164    HA   PRO  28           HA       PRO  28   5.215   1.405  -3.181
  165   1HB   PRO  28          1HB       PRO  28   5.554   1.609  -5.898
  166   2HB   PRO  28          2HB       PRO  28   4.702   2.836  -4.901
  167   1HG   PRO  28          1HG       PRO  28   7.524   2.846  -5.969
  168   2HG   PRO  28          2HG       PRO  28   6.409   4.221  -5.666
  169   1HD   PRO  28          1HD       PRO  28   8.525   3.511  -3.987
  170   2HD   PRO  28          2HD       PRO  28   7.073   4.424  -3.452
  171    H    VAL  29           H        VAL  29   5.998  -0.538  -2.208
  172    HA   VAL  29           HA       VAL  29   6.927  -2.348  -4.291
  173    HB   VAL  29           HB       VAL  29   8.674  -3.245  -2.877
  174   1HG1  VAL  29          1HG1      VAL  29  10.211  -1.221  -2.843
  175   2HG1  VAL  29          2HG1      VAL  29   9.431  -1.585  -4.401
  176   3HG1  VAL  29          3HG1      VAL  29   8.813  -0.261  -3.384
  177   1HG2  VAL  29          1HG2      VAL  29   9.184  -2.559  -0.729
  178   2HG2  VAL  29          2HG2      VAL  29   8.431  -0.960  -0.941
  179   3HG2  VAL  29          3HG2      VAL  29   7.410  -2.403  -0.728
  Start of MODEL    4
    1    H    CYS   1           H        CYS   1   4.280  -1.864  -3.057
    2    HA   CYS   1           HA       CYS   1   4.070  -4.175  -1.296
    3   1HB   CYS   1          1HB       CYS   1   2.299  -1.806  -1.832
    4   2HB   CYS   1          2HB       CYS   1   1.649  -3.260  -1.101
    5    H    GLY   2           H        GLY   2   2.707  -2.661  -4.298
    6   1HA   GLY   2          1HA       GLY   2   2.210  -3.796  -6.249
    7   2HA   GLY   2          2HA       GLY   2   2.240  -5.325  -5.394
    8    H    GLU   3           H        GLU   3   0.534  -3.971  -3.151
    9    HA   GLU   3           HA       GLU   3  -1.951  -4.674  -4.391
   10   1HB   GLU   3          1HB       GLU   3  -1.033  -5.225  -1.951
   11   2HB   GLU   3          2HB       GLU   3  -1.725  -3.665  -1.553
   12   1HG   GLU   3          1HG       GLU   3  -3.929  -4.403  -2.481
   13   2HG   GLU   3          2HG       GLU   3  -3.238  -5.962  -2.885
   14    H    THR   4           H        THR   4  -3.939  -3.255  -4.023
   15    HA   THR   4           HA       THR   4  -3.181  -0.409  -4.140
   16    HB   THR   4           HB       THR   4  -4.993  -0.197  -5.864
   17    HG1  THR   4           1HG      THR   4  -6.007  -2.203  -6.489
   18   1HG2  THR   4          1HG2      THR   4  -2.924  -0.592  -6.988
   19   2HG2  THR   4          2HG2      THR   4  -2.780  -2.237  -6.324
   20   3HG2  THR   4          3HG2      THR   4  -3.970  -1.894  -7.602
   21    H    CYS   5           H        CYS   5  -4.333   1.017  -2.924
   22    HA   CYS   5           HA       CYS   5  -6.309  -0.232  -1.179
   23   1HB   CYS   5          1HB       CYS   5  -5.873   1.459   0.402
   24   2HB   CYS   5          2HB       CYS   5  -4.319   0.886  -0.171
   25    H    VAL   6           H        VAL   6  -7.395   0.046  -3.621
   26    HA   VAL   6           HA       VAL   6  -8.301   2.574  -4.352
   27    HB   VAL   6           HB       VAL   6  -9.154  -0.253  -4.868
   28   1HG1  VAL   6          1HG1      VAL   6 -10.650   2.250  -5.687
   29   2HG1  VAL   6          2HG1      VAL   6 -10.789   0.709  -6.567
   30   3HG1  VAL   6          3HG1      VAL   6 -11.279   0.806  -4.858
   31   1HG2  VAL   6          1HG2      VAL   6  -7.809   1.964  -6.389
   32   2HG2  VAL   6          2HG2      VAL   6  -7.324   0.263  -6.190
   33   3HG2  VAL   6          3HG2      VAL   6  -8.673   0.683  -7.272
   34    H    GLY   7           H        GLY   7  -9.255   0.382  -1.774
   35   1HA   GLY   7          1HA       GLY   7 -11.854   1.611  -1.402
   36   2HA   GLY   7          2HA       GLY   7 -11.115   0.348  -0.439
   37    H    GLY   8           H        GLY   8  -8.500   1.858  -0.156
   38   1HA   GLY   8          1HA       GLY   8  -8.002   4.053   0.763
   39   2HA   GLY   8          2HA       GLY   8  -9.454   3.924   1.736
   40    H    THR   9           H        THR   9  -7.758   0.912   1.306
   41    HA   THR   9           HA       THR   9  -6.065   1.283   3.625
   42    HB   THR   9           HB       THR   9  -8.230  -0.867   3.689
   43    HG1  THR   9           1HG      THR   9  -9.503   0.722   4.717
   44   1HG2  THR   9          1HG2      THR   9  -6.651   0.581   5.880
   45   2HG2  THR   9          2HG2      THR   9  -7.819  -0.740   6.126
   46   3HG2  THR   9          3HG2      THR   9  -6.281  -1.056   5.288
   47    H    CYS  10           H        CYS  10  -4.641  -0.590   4.006
   48    HA   CYS  10           HA       CYS  10  -4.322  -2.090   1.508
   49   1HB   CYS  10          1HB       CYS  10  -2.195  -1.066   3.399
   50   2HB   CYS  10          2HB       CYS  10  -1.893  -2.172   2.073
   51    H    ASN  11           H        ASN  11  -3.922  -4.352   1.725
   52    HA   ASN  11           HA       ASN  11  -4.687  -5.379   4.291
   53   1HB   ASN  11          1HB       ASN  11  -4.303  -6.553   1.512
   54   2HB   ASN  11          2HB       ASN  11  -4.405  -7.628   2.892
   55   1HD2  ASN  11          1HD2      ASN  11  -6.328  -8.409   3.231
   56   2HD2  ASN  11          2HD2      ASN  11  -7.850  -7.629   2.958
   57    H    THR  12           H        THR  12  -1.983  -5.609   1.876
   58    HA   THR  12           HA       THR  12  -0.361  -7.390   3.239
   59    HB   THR  12           HB       THR  12   0.237  -5.053   1.355
   60    HG1  THR  12           1HG      THR  12  -0.877  -6.674   0.256
   61   1HG2  THR  12          1HG2      THR  12   2.246  -6.059   2.768
   62   2HG2  THR  12          2HG2      THR  12   1.996  -7.498   1.752
   63   3HG2  THR  12          3HG2      THR  12   2.410  -5.939   1.000
   64    HA   PRO  13           HA       PRO  13   0.715  -5.447   6.745
   65   1HB   PRO  13          1HB       PRO  13   2.971  -6.815   7.506
   66   2HB   PRO  13          2HB       PRO  13   1.304  -7.463   7.671
   67   1HG   PRO  13          1HG       PRO  13   3.387  -8.024   5.562
   68   2HG   PRO  13          2HG       PRO  13   2.106  -9.096   6.221
   69   1HD   PRO  13          1HD       PRO  13   1.956  -7.800   3.752
   70   2HD   PRO  13          2HD       PRO  13   0.528  -8.345   4.695
   71    H    GLY  14           H        GLY  14   1.511  -3.529   7.440
   72   1HA   GLY  14          1HA       GLY  14   3.013  -1.849   7.648
   73   2HA   GLY  14          2HA       GLY  14   4.231  -2.840   6.871
   74    H    CYS  15           H        CYS  15   1.259  -2.687   5.085
   75    HA   CYS  15           HA       CYS  15   2.577  -0.957   3.161
   76   1HB   CYS  15          1HB       CYS  15   0.250  -2.863   2.980
   77   2HB   CYS  15          2HB       CYS  15   0.598  -1.706   1.712
   78    H    THR  16           H        THR  16   1.926   1.164   2.895
   79    HA   THR  16           HA       THR  16  -0.380   2.037   4.465
   80    HB   THR  16           HB       THR  16   0.678   4.320   3.895
   81    HG1  THR  16           1HG      THR  16   1.795   3.097   2.005
   82   1HG2  THR  16          1HG2      THR  16   2.634   2.316   5.131
   83   2HG2  THR  16          2HG2      THR  16   2.581   4.072   5.412
   84   3HG2  THR  16          3HG2      THR  16   1.274   3.033   6.028
   85    H    CYS  17           H        CYS  17  -1.975   3.503   3.564
   86    HA   CYS  17           HA       CYS  17  -2.718   2.599   0.944
   87   1HB   CYS  17          1HB       CYS  17  -4.409   2.730   2.665
   88   2HB   CYS  17          2HB       CYS  17  -4.078   4.431   2.927
   89    H    SER  18           H        SER  18  -1.193   3.549  -0.506
   90    HA   SER  18           HA       SER  18  -1.183   6.453  -0.511
   91   1HB   SER  18          1HB       SER  18   1.028   5.375  -0.593
   92   2HB   SER  18          2HB       SER  18   0.553   4.425  -1.987
   93    HG   SER  18           HG       SER  18   1.803   6.293  -2.605
   94    H    TRP  19           H        TRP  19  -3.563   6.206  -1.238
   95    HA   TRP  19           HA       TRP  19  -4.537   4.841  -3.286
   96   1HB   TRP  19          1HB       TRP  19  -5.406   6.936  -1.786
   97   2HB   TRP  19          2HB       TRP  19  -5.324   7.683  -3.369
   98    HD1  TRP  19           HD       TRP  19  -7.247   4.936  -1.479
   99    HE1  TRP  19           1HE      TRP  19  -9.425   4.217  -2.785
  100    HE3  TRP  19           3HE      TRP  19  -6.223   7.582  -5.698
  101    HZ2  TRP  19           2HZ      TRP  19 -10.452   4.823  -5.378
  102    HZ3  TRP  19           3HZ      TRP  19  -7.865   7.464  -7.570
  103    HH2  TRP  19           HH       TRP  19  -9.920   6.145  -7.458
  104    HA   PRO  20           HA       PRO  20  -5.601   4.785  -4.853
  105   1HB   PRO  20          1HB       PRO  20  -5.616   3.466  -7.247
  106   2HB   PRO  20          2HB       PRO  20  -6.499   4.954  -6.967
  107   1HG   PRO  20          1HG       PRO  20  -3.991   4.544  -8.476
  108   2HG   PRO  20          2HG       PRO  20  -5.098   5.900  -8.536
  109   1HD   PRO  20          1HD       PRO  20  -2.561   5.814  -7.201
  110   2HD   PRO  20          2HD       PRO  20  -3.720   7.128  -7.164
  111    H    VAL  21           H        VAL  21  -2.353   4.171  -5.349
  112    HA   VAL  21           HA       VAL  21  -2.747   1.291  -5.052
  113    HB   VAL  21           HB       VAL  21  -1.299   2.511  -6.853
  114   1HG1  VAL  21          1HG1      VAL  21  -0.051   3.657  -4.794
  115   2HG1  VAL  21          2HG1      VAL  21   0.936   2.179  -4.896
  116   3HG1  VAL  21          3HG1      VAL  21   0.797   3.256  -6.306
  117   1HG2  VAL  21          1HG2      VAL  21  -1.269  -0.055  -5.664
  118   2HG2  VAL  21          2HG2      VAL  21  -0.687   0.410  -7.281
  119   3HG2  VAL  21          3HG2      VAL  21   0.433   0.413  -5.897
  120    H    CYS  22           H        CYS  22  -0.703   0.324  -3.707
  121    HA   CYS  22           HA       CYS  22  -0.919   1.676  -1.131
  122   1HB   CYS  22          1HB       CYS  22  -0.368  -1.177  -1.918
  123   2HB   CYS  22          2HB       CYS  22   0.017  -0.583  -0.315
  124    H    THR  23           H        THR  23   1.210   1.290   0.271
  125    HA   THR  23           HA       THR  23   3.615   1.344  -1.367
  126    HB   THR  23           HB       THR  23   4.189   3.522   0.061
  127    HG1  THR  23           1HG      THR  23   2.262   4.554   0.730
  128   1HG2  THR  23          1HG2      THR  23   2.263   3.467  -2.316
  129   2HG2  THR  23          2HG2      THR  23   2.947   4.973  -1.659
  130   3HG2  THR  23          3HG2      THR  23   4.021   3.740  -2.362
  131    H    ARG  24           H        ARG  24   5.618   1.359   0.039
  132    HA   ARG  24           HA       ARG  24   4.996   0.147   2.603
  133   1HB   ARG  24          1HB       ARG  24   5.536  -1.774   1.293
  134   2HB   ARG  24          2HB       ARG  24   6.775  -0.928   0.388
  135   1HG   ARG  24          1HG       ARG  24   8.387  -1.332   1.965
  136   2HG   ARG  24          2HG       ARG  24   7.309  -0.981   3.301
  137   1HD   ARG  24          1HD       ARG  24   6.377  -3.204   3.281
  138   2HD   ARG  24          2HD       ARG  24   7.037  -3.555   1.696
  139    HE   ARG  24           HE       ARG  24   9.116  -2.911   3.642
  140   1HH1  ARG  24          2HH2      ARG  24   7.058  -5.487   2.414
  141   2HH1  ARG  24          1HH2      ARG  24   8.124  -6.755   2.920
  142   1HH2  ARG  24          2HH1      ARG  24  10.524  -4.583   4.310
  143   2HH2  ARG  24          1HH1      ARG  24  10.109  -6.237   4.006
  144    H    ASN  25           H        ASN  25   5.997   1.341   4.193
  145    HA   ASN  25           HA       ASN  25   7.395   2.637   5.223
  146   1HB   ASN  25          1HB       ASN  25   9.318   1.279   3.290
  147   2HB   ASN  25          2HB       ASN  25   9.909   2.509   4.390
  148   1HD2  ASN  25          1HD2      ASN  25  10.285  -0.460   4.151
  149   2HD2  ASN  25          2HD2      ASN  25   9.969  -1.108   5.726
  150    H    GLY  26           H        GLY  26   6.004   3.503   2.623
  151   1HA   GLY  26          1HA       GLY  26   5.805   5.572   1.673
  152   2HA   GLY  26          2HA       GLY  26   7.350   6.051   2.347
  153    H    LEU  27           H        LEU  27   7.073   2.970   0.609
  154    HA   LEU  27           HA       LEU  27   8.057   4.184  -1.839
  155   1HB   LEU  27          1HB       LEU  27   9.604   1.985  -0.473
  156   2HB   LEU  27          2HB       LEU  27  10.014   2.818  -1.960
  157    HG   LEU  27           HG       LEU  27   9.802   4.312   0.652
  158   1HD1  LEU  27          1HD1      LEU  27  12.343   3.050  -0.402
  159   2HD1  LEU  27          2HD1      LEU  27  12.116   3.954   1.115
  160   3HD1  LEU  27          3HD1      LEU  27  11.353   2.359   0.906
  161   1HD2  LEU  27          1HD2      LEU  27  10.549   6.080  -0.482
  162   2HD2  LEU  27          2HD2      LEU  27  11.812   5.132  -1.304
  163   3HD2  LEU  27          3HD2      LEU  27  10.155   5.159  -1.953
  164    HA   PRO  28           HA       PRO  28   5.169   1.418  -3.147
  165   1HB   PRO  28          1HB       PRO  28   5.459   1.622  -5.869
  166   2HB   PRO  28          2HB       PRO  28   4.600   2.835  -4.860
  167   1HG   PRO  28          1HG       PRO  28   7.403   2.898  -5.975
  168   2HG   PRO  28          2HG       PRO  28   6.266   4.251  -5.656
  169   1HD   PRO  28          1HD       PRO  28   8.423   3.586  -4.010
  170   2HD   PRO  28          2HD       PRO  28   6.962   4.472  -3.454
  171    H    VAL  29           H        VAL  29   5.909  -0.538  -2.223
  172    HA   VAL  29           HA       VAL  29   6.888  -2.316  -4.305
  173    HB   VAL  29           HB       VAL  29   8.625  -3.216  -2.842
  174   1HG1  VAL  29          1HG1      VAL  29   8.805  -0.254  -3.467
  175   2HG1  VAL  29          2HG1      VAL  29  10.193  -1.237  -2.941
  176   3HG1  VAL  29          3HG1      VAL  29   9.357  -1.621  -4.465
  177   1HG2  VAL  29          1HG2      VAL  29   7.496  -2.443  -0.698
  178   2HG2  VAL  29          2HG2      VAL  29   9.262  -2.235  -0.773
  179   3HG2  VAL  29          3HG2      VAL  29   8.189  -0.836  -1.019
  Start of MODEL    5
    1    H    CYS   1           H        CYS   1   4.317  -1.911  -3.067
    2    HA   CYS   1           HA       CYS   1   4.116  -4.123  -1.181
    3   1HB   CYS   1          1HB       CYS   1   2.271  -1.867  -1.928
    4   2HB   CYS   1          2HB       CYS   1   1.668  -3.293  -1.108
    5    H    GLY   2           H        GLY   2   2.472  -2.792  -4.152
    6   1HA   GLY   2          1HA       GLY   2   2.179  -4.055  -6.113
    7   2HA   GLY   2          2HA       GLY   2   2.266  -5.538  -5.183
    8    H    GLU   3           H        GLU   3   0.466  -3.754  -3.141
    9    HA   GLU   3           HA       GLU   3  -1.983  -4.720  -4.358
   10   1HB   GLU   3          1HB       GLU   3  -1.093  -5.225  -1.893
   11   2HB   GLU   3          2HB       GLU   3  -1.833  -3.679  -1.529
   12   1HG   GLU   3          1HG       GLU   3  -4.004  -4.467  -2.432
   13   2HG   GLU   3          2HG       GLU   3  -3.279  -5.990  -2.908
   14    H    THR   4           H        THR   4  -4.005  -3.321  -3.979
   15    HA   THR   4           HA       THR   4  -3.275  -0.474  -4.193
   16    HB   THR   4           HB       THR   4  -5.102  -0.312  -5.875
   17    HG1  THR   4           1HG      THR   4  -5.140  -3.223  -5.552
   18   1HG2  THR   4          1HG2      THR   4  -4.233  -2.089  -7.577
   19   2HG2  THR   4          2HG2      THR   4  -3.054  -0.886  -7.002
   20   3HG2  THR   4          3HG2      THR   4  -3.053  -2.529  -6.319
   21    H    CYS   5           H        CYS   5  -4.434   1.004  -3.027
   22    HA   CYS   5           HA       CYS   5  -6.371  -0.199  -1.195
   23   1HB   CYS   5          1HB       CYS   5  -5.830   1.447   0.394
   24   2HB   CYS   5          2HB       CYS   5  -4.309   0.836  -0.226
   25    H    VAL   6           H        VAL   6  -7.425   0.177  -3.670
   26    HA   VAL   6           HA       VAL   6  -8.263   2.748  -4.317
   27    HB   VAL   6           HB       VAL   6  -9.252  -0.027  -4.912
   28   1HG1  VAL   6          1HG1      VAL   6 -11.294   1.145  -4.995
   29   2HG1  VAL   6          2HG1      VAL   6 -10.536   2.597  -5.692
   30   3HG1  VAL   6          3HG1      VAL   6 -10.717   1.127  -6.679
   31   1HG2  VAL   6          1HG2      VAL   6  -8.608   0.893  -7.281
   32   2HG2  VAL   6          2HG2      VAL   6  -7.688   2.101  -6.351
   33   3HG2  VAL   6          3HG2      VAL   6  -7.335   0.368  -6.153
   34    H    GLY   7           H        GLY   7  -9.265   0.520  -1.798
   35   1HA   GLY   7          1HA       GLY   7 -11.843   1.789  -1.401
   36   2HA   GLY   7          2HA       GLY   7 -11.131   0.487  -0.469
   37    H    GLY   8           H        GLY   8  -8.487   1.929  -0.143
   38   1HA   GLY   8          1HA       GLY   8  -7.955   4.092   0.822
   39   2HA   GLY   8          2HA       GLY   8  -9.402   3.963   1.802
   40    H    THR   9           H        THR   9  -7.680   0.963   1.272
   41    HA   THR   9           HA       THR   9  -6.016   1.268   3.622
   42    HB   THR   9           HB       THR   9  -7.969   0.653   4.824
   43    HG1  THR   9           1HG      THR   9  -7.403  -1.524   5.360
   44   1HG2  THR   9          1HG2      THR   9  -9.676  -0.836   4.063
   45   2HG2  THR   9          2HG2      THR   9  -9.274   0.105   2.607
   46   3HG2  THR   9          3HG2      THR   9  -8.622  -1.538   2.812
   47    H    CYS  10           H        CYS  10  -4.724  -0.786   4.021
   48    HA   CYS  10           HA       CYS  10  -4.323  -2.141   1.455
   49   1HB   CYS  10          1HB       CYS  10  -2.202  -1.121   3.354
   50   2HB   CYS  10          2HB       CYS  10  -1.889  -2.211   2.018
   51    H    ASN  11           H        ASN  11  -3.863  -4.402   1.631
   52    HA   ASN  11           HA       ASN  11  -4.629  -5.488   4.174
   53   1HB   ASN  11          1HB       ASN  11  -4.046  -6.758   1.450
   54   2HB   ASN  11          2HB       ASN  11  -4.500  -7.697   2.858
   55   1HD2  ASN  11          1HD2      ASN  11  -6.356  -8.420   1.817
   56   2HD2  ASN  11          2HD2      ASN  11  -7.769  -7.438   1.623
   57    H    THR  12           H        THR  12  -1.912  -5.649   1.764
   58    HA   THR  12           HA       THR  12  -0.266  -7.419   3.106
   59    HB   THR  12           HB       THR  12   0.293  -5.038   1.265
   60    HG1  THR  12           1HG      THR  12  -1.019  -7.070   0.695
   61   1HG2  THR  12          1HG2      THR  12   2.493  -5.857   0.919
   62   2HG2  THR  12          2HG2      THR  12   2.317  -6.009   2.683
   63   3HG2  THR  12          3HG2      THR  12   2.116  -7.439   1.642
   64    HA   PRO  13           HA       PRO  13   0.758  -5.530   6.656
   65   1HB   PRO  13          1HB       PRO  13   3.034  -6.872   7.401
   66   2HB   PRO  13          2HB       PRO  13   1.378  -7.554   7.544
   67   1HG   PRO  13          1HG       PRO  13   3.482  -8.033   5.434
   68   2HG   PRO  13          2HG       PRO  13   2.218  -9.142   6.064
   69   1HD   PRO  13          1HD       PRO  13   2.057  -7.797   3.622
   70   2HD   PRO  13          2HD       PRO  13   0.635  -8.388   4.546
   71    H    GLY  14           H        GLY  14   1.526  -3.621   7.411
   72   1HA   GLY  14          1HA       GLY  14   2.986  -1.911   7.651
   73   2HA   GLY  14          2HA       GLY  14   4.231  -2.869   6.876
   74    H    CYS  15           H        CYS  15   1.255  -2.704   5.078
   75    HA   CYS  15           HA       CYS  15   2.576  -0.926   3.194
   76   1HB   CYS  15          1HB       CYS  15   0.301  -2.887   2.940
   77   2HB   CYS  15          2HB       CYS  15   0.636  -1.695   1.700
   78    H    THR  16           H        THR  16   1.889   1.187   2.981
   79    HA   THR  16           HA       THR  16  -0.476   1.966   4.512
   80    HB   THR  16           HB       THR  16   0.535   4.158   4.490
   81    HG1  THR  16           1HG      THR  16   2.363   2.993   2.516
   82   1HG2  THR  16          1HG2      THR  16   2.408   3.664   5.715
   83   2HG2  THR  16          2HG2      THR  16   2.074   1.954   5.353
   84   3HG2  THR  16          3HG2      THR  16   3.186   2.882   4.318
   85    H    CYS  17           H        CYS  17  -2.017   3.527   3.587
   86    HA   CYS  17           HA       CYS  17  -2.761   2.614   0.977
   87   1HB   CYS  17          1HB       CYS  17  -4.427   2.903   2.749
   88   2HB   CYS  17          2HB       CYS  17  -4.068   4.617   2.830
   89    H    SER  18           H        SER  18  -1.174   3.453  -0.476
   90    HA   SER  18           HA       SER  18  -0.999   6.349  -0.544
   91   1HB   SER  18          1HB       SER  18   1.178   5.536  -0.733
   92   2HB   SER  18          2HB       SER  18   0.686   4.092  -1.595
   93    HG   SER  18           HG       SER  18   0.298   5.398  -3.491
   94    H    TRP  19           H        TRP  19  -3.407   6.206  -1.247
   95    HA   TRP  19           HA       TRP  19  -4.451   4.870  -3.286
   96   1HB   TRP  19          1HB       TRP  19  -5.194   7.046  -1.792
   97   2HB   TRP  19          2HB       TRP  19  -5.157   7.718  -3.410
   98    HD1  TRP  19           HD       TRP  19  -7.009   5.003  -1.372
   99    HE1  TRP  19           1HE      TRP  19  -9.278   4.325  -2.536
  100    HE3  TRP  19           3HE      TRP  19  -6.238   7.685  -5.623
  101    HZ2  TRP  19           2HZ      TRP  19 -10.469   4.971  -5.048
  102    HZ3  TRP  19           3HZ      TRP  19  -8.003   7.607  -7.381
  103    HH2  TRP  19           HH       TRP  19 -10.061   6.310  -7.146
  104    HA   PRO  20           HA       PRO  20  -5.546   4.887  -4.848
  105   1HB   PRO  20          1HB       PRO  20  -5.653   3.585  -7.249
  106   2HB   PRO  20          2HB       PRO  20  -6.454   5.115  -6.952
  107   1HG   PRO  20          1HG       PRO  20  -3.985   4.584  -8.488
  108   2HG   PRO  20          2HG       PRO  20  -5.020   5.997  -8.529
  109   1HD   PRO  20          1HD       PRO  20  -2.478   5.769  -7.219
  110   2HD   PRO  20          2HD       PRO  20  -3.567   7.142  -7.165
  111    H    VAL  21           H        VAL  21  -2.341   4.129  -5.310
  112    HA   VAL  21           HA       VAL  21  -2.870   1.266  -5.029
  113    HB   VAL  21           HB       VAL  21  -1.418   2.305  -6.875
  114   1HG1  VAL  21          1HG1      VAL  21   1.000   2.147  -5.280
  115   2HG1  VAL  21          2HG1      VAL  21   0.434   3.443  -6.362
  116   3HG1  VAL  21          3HG1      VAL  21  -0.090   3.411  -4.661
  117   1HG2  VAL  21          1HG2      VAL  21  -1.503  -0.159  -5.836
  118   2HG2  VAL  21          2HG2      VAL  21  -0.354   0.298  -7.116
  119   3HG2  VAL  21          3HG2      VAL  21   0.179   0.246  -5.419
  120    H    CYS  22           H        CYS  22  -0.784   0.249  -3.721
  121    HA   CYS  22           HA       CYS  22  -0.983   1.570  -1.128
  122   1HB   CYS  22          1HB       CYS  22  -0.413  -1.272  -1.948
  123   2HB   CYS  22          2HB       CYS  22  -0.051  -0.691  -0.335
  124    H    THR  23           H        THR  23   1.127   1.295   0.255
  125    HA   THR  23           HA       THR  23   3.543   1.289  -1.371
  126    HB   THR  23           HB       THR  23   4.077   3.524   0.019
  127    HG1  THR  23           1HG      THR  23   2.162   4.475   0.703
  128   1HG2  THR  23          1HG2      THR  23   2.877   4.889  -1.822
  129   2HG2  THR  23          2HG2      THR  23   4.048   3.680  -2.400
  130   3HG2  THR  23          3HG2      THR  23   2.304   3.330  -2.463
  131    H    ARG  24           H        ARG  24   5.539   1.393   0.058
  132    HA   ARG  24           HA       ARG  24   4.913   0.292   2.668
  133   1HB   ARG  24          1HB       ARG  24   5.410  -1.686   1.391
  134   2HB   ARG  24          2HB       ARG  24   6.722  -0.906   0.531
  135   1HG   ARG  24          1HG       ARG  24   8.215  -1.106   2.322
  136   2HG   ARG  24          2HG       ARG  24   6.945  -1.075   3.530
  137   1HD   ARG  24          1HD       ARG  24   6.452  -3.359   3.282
  138   2HD   ARG  24          2HD       ARG  24   7.005  -3.412   1.620
  139    HE   ARG  24           HE       ARG  24   9.234  -2.797   3.324
  140   1HH1  ARG  24          2HH2      ARG  24   7.104  -5.470   2.487
  141   2HH1  ARG  24          1HH2      ARG  24   8.274  -6.689   2.866
  142   1HH2  ARG  24          2HH1      ARG  24  10.779  -4.405   3.824
  143   2HH2  ARG  24          1HH1      ARG  24  10.379  -6.080   3.632
  144    H    ASN  25           H        ASN  25   6.001   1.456   4.226
  145    HA   ASN  25           HA       ASN  25   7.427   2.779   5.183
  146   1HB   ASN  25          1HB       ASN  25   9.007   0.838   4.466
  147   2HB   ASN  25          2HB       ASN  25   9.542   1.884   3.166
  148   1HD2  ASN  25          1HD2      ASN  25  10.841   0.767   5.624
  149   2HD2  ASN  25          2HD2      ASN  25  11.566   2.114   6.436
  150    H    GLY  26           H        GLY  26   5.934   3.638   2.667
  151   1HA   GLY  26          1HA       GLY  26   5.716   5.650   1.631
  152   2HA   GLY  26          2HA       GLY  26   7.248   6.174   2.302
  153    H    LEU  27           H        LEU  27   6.966   3.076   0.567
  154    HA   LEU  27           HA       LEU  27   7.957   4.271  -1.880
  155   1HB   LEU  27          1HB       LEU  27   9.553   2.215  -0.345
  156   2HB   LEU  27          2HB       LEU  27   9.903   2.783  -1.965
  157    HG   LEU  27           HG       LEU  27   9.846   4.605   0.452
  158   1HD1  LEU  27          1HD1      LEU  27  12.416   3.696  -0.782
  159   2HD1  LEU  27          2HD1      LEU  27  12.073   4.266   0.869
  160   3HD1  LEU  27          3HD1      LEU  27  11.587   2.626   0.375
  161   1HD2  LEU  27          1HD2      LEU  27  10.850   6.240  -0.904
  162   2HD2  LEU  27          2HD2      LEU  27  11.239   5.067  -2.186
  163   3HD2  LEU  27          3HD2      LEU  27   9.549   5.547  -1.902
  164    HA   PRO  28           HA       PRO  28   5.144   1.429  -3.173
  165   1HB   PRO  28          1HB       PRO  28   5.477   1.566  -5.894
  166   2HB   PRO  28          2HB       PRO  28   4.587   2.794  -4.932
  167   1HG   PRO  28          1HG       PRO  28   7.407   2.862  -6.001
  168   2HG   PRO  28          2HG       PRO  28   6.250   4.209  -5.737
  169   1HD   PRO  28          1HD       PRO  28   8.386   3.613  -4.039
  170   2HD   PRO  28          2HD       PRO  28   6.906   4.495  -3.531
  171    H    VAL  29           H        VAL  29   5.940  -0.477  -2.164
  172    HA   VAL  29           HA       VAL  29   6.951  -2.305  -4.190
  173    HB   VAL  29           HB       VAL  29   8.633  -3.159  -2.555
  174   1HG1  VAL  29          1HG1      VAL  29   9.479  -1.899  -4.370
  175   2HG1  VAL  29          2HG1      VAL  29   8.882  -0.365  -3.692
  176   3HG1  VAL  29          3HG1      VAL  29  10.246  -1.209  -2.919
  177   1HG2  VAL  29          1HG2      VAL  29   7.872  -0.627  -1.073
  178   2HG2  VAL  29          2HG2      VAL  29   7.844  -2.302  -0.473
  179   3HG2  VAL  29          3HG2      VAL  29   9.399  -1.500  -0.801
  Start of MODEL    6
    1    H    CYS   1           H        CYS   1   4.190  -2.042  -2.915
    2    HA   CYS   1           HA       CYS   1   3.868  -4.403  -1.237
    3   1HB   CYS   1          1HB       CYS   1   1.938  -2.174  -1.910
    4   2HB   CYS   1          2HB       CYS   1   1.552  -3.564  -0.915
    5    H    GLY   2           H        GLY   2   2.942  -2.854  -4.355
    6   1HA   GLY   2          1HA       GLY   2   2.474  -3.899  -6.332
    7   2HA   GLY   2          2HA       GLY   2   2.462  -5.456  -5.527
    8    H    GLU   3           H        GLU   3   0.599  -3.815  -3.437
    9    HA   GLU   3           HA       GLU   3  -1.802  -4.554  -4.890
   10   1HB   GLU   3          1HB       GLU   3  -2.805  -5.018  -2.831
   11   2HB   GLU   3          2HB       GLU   3  -1.136  -5.442  -2.506
   12   1HG   GLU   3          1HG       GLU   3  -0.795  -3.076  -1.603
   13   2HG   GLU   3          2HG       GLU   3  -2.520  -2.819  -1.776
   14    H    THR   4           H        THR   4  -3.825  -3.120  -4.148
   15    HA   THR   4           HA       THR   4  -2.985  -0.304  -4.072
   16    HB   THR   4           HB       THR   4  -4.755   0.131  -5.803
   17    HG1  THR   4           1HG      THR   4  -6.145  -1.583  -5.964
   18   1HG2  THR   4          1HG2      THR   4  -2.921  -0.141  -7.178
   19   2HG2  THR   4          2HG2      THR   4  -2.376  -1.593  -6.304
   20   3HG2  THR   4          3HG2      THR   4  -3.646  -1.725  -7.544
   21    H    CYS   5           H        CYS   5  -4.339   1.122  -2.961
   22    HA   CYS   5           HA       CYS   5  -6.278  -0.283  -1.282
   23   1HB   CYS   5          1HB       CYS   5  -5.949   1.413   0.371
   24   2HB   CYS   5          2HB       CYS   5  -4.394   0.756  -0.098
   25    H    VAL   6           H        VAL   6  -7.375   0.072  -3.672
   26    HA   VAL   6           HA       VAL   6  -8.280   2.616  -4.344
   27    HB   VAL   6           HB       VAL   6  -9.109  -0.199  -4.931
   28   1HG1  VAL   6          1HG1      VAL   6 -11.243   0.928  -4.789
   29   2HG1  VAL   6          2HG1      VAL   6 -10.640   2.283  -5.773
   30   3HG1  VAL   6          3HG1      VAL   6 -10.839   0.672  -6.503
   31   1HG2  VAL   6          1HG2      VAL   6  -7.822   2.087  -6.393
   32   2HG2  VAL   6          2HG2      VAL   6  -7.325   0.382  -6.279
   33   3HG2  VAL   6          3HG2      VAL   6  -8.698   0.842  -7.314
   34    H    GLY   7           H        GLY   7  -9.231   0.369  -1.813
   35   1HA   GLY   7          1HA       GLY   7 -11.831   1.585  -1.410
   36   2HA   GLY   7          2HA       GLY   7 -11.082   0.309  -0.470
   37    H    GLY   8           H        GLY   8  -8.477   1.789  -0.131
   38   1HA   GLY   8          1HA       GLY   8  -7.971   3.969   0.812
   39   2HA   GLY   8          2HA       GLY   8  -9.432   3.844   1.772
   40    H    THR   9           H        THR   9  -7.697   0.843   1.309
   41    HA   THR   9           HA       THR   9  -6.063   1.186   3.675
   42    HB   THR   9           HB       THR   9  -8.121  -1.050   3.682
   43    HG1  THR   9           1HG      THR   9  -9.607   0.470   4.415
   44   1HG2  THR   9          1HG2      THR   9  -7.808   0.035   6.239
   45   2HG2  THR   9          2HG2      THR   9  -6.972  -1.418   5.641
   46   3HG2  THR   9          3HG2      THR   9  -6.170   0.169   5.556
   47    H    CYS  10           H        CYS  10  -4.553  -0.585   4.002
   48    HA   CYS  10           HA       CYS  10  -4.139  -2.004   1.474
   49   1HB   CYS  10          1HB       CYS  10  -2.147  -1.089   3.556
   50   2HB   CYS  10          2HB       CYS  10  -1.749  -2.147   2.217
   51    H    ASN  11           H        ASN  11  -3.801  -4.276   1.563
   52    HA   ASN  11           HA       ASN  11  -4.698  -5.456   4.021
   53   1HB   ASN  11          1HB       ASN  11  -4.191  -6.473   1.195
   54   2HB   ASN  11          2HB       ASN  11  -4.423  -7.613   2.505
   55   1HD2  ASN  11          1HD2      ASN  11  -6.246  -8.142   1.011
   56   2HD2  ASN  11          2HD2      ASN  11  -7.768  -7.355   1.266
   57    H    THR  12           H        THR  12  -1.833  -5.293   1.842
   58    HA   THR  12           HA       THR  12  -0.313  -7.280   3.159
   59    HB   THR  12           HB       THR  12   0.335  -4.936   1.305
   60    HG1  THR  12           1HG      THR  12   0.323  -7.862   1.083
   61   1HG2  THR  12          1HG2      THR  12   2.147  -7.325   1.770
   62   2HG2  THR  12          2HG2      THR  12   2.547  -5.741   1.063
   63   3HG2  THR  12          3HG2      THR  12   2.305  -5.896   2.820
   64    HA   PRO  13           HA       PRO  13   0.677  -5.408   6.726
   65   1HB   PRO  13          1HB       PRO  13   2.907  -6.797   7.525
   66   2HB   PRO  13          2HB       PRO  13   1.234  -7.443   7.630
   67   1HG   PRO  13          1HG       PRO  13   3.375  -7.971   5.570
   68   2HG   PRO  13          2HG       PRO  13   2.073  -9.051   6.172
   69   1HD   PRO  13          1HD       PRO  13   1.997  -7.707   3.725
   70   2HD   PRO  13          2HD       PRO  13   0.541  -8.266   4.617
   71    H    GLY  14           H        GLY  14   1.463  -3.510   7.488
   72   1HA   GLY  14          1HA       GLY  14   2.962  -1.838   7.768
   73   2HA   GLY  14          2HA       GLY  14   4.198  -2.819   7.006
   74    H    CYS  15           H        CYS  15   1.252  -2.583   5.167
   75    HA   CYS  15           HA       CYS  15   2.636  -0.816   3.315
   76   1HB   CYS  15          1HB       CYS  15   0.342  -2.746   3.004
   77   2HB   CYS  15          2HB       CYS  15   0.719  -1.551   1.778
   78    H    THR  16           H        THR  16   1.952   1.298   3.050
   79    HA   THR  16           HA       THR  16  -0.408   2.108   4.575
   80    HB   THR  16           HB       THR  16   0.604   4.378   4.281
   81    HG1  THR  16           1HG      THR  16   2.120   4.537   2.666
   82   1HG2  THR  16          1HG2      THR  16   2.498   4.091   5.671
   83   2HG2  THR  16          2HG2      THR  16   1.584   2.600   6.006
   84   3HG2  THR  16          3HG2      THR  16   2.962   2.565   4.879
   85    H    CYS  17           H        CYS  17  -2.050   3.473   3.673
   86    HA   CYS  17           HA       CYS  17  -2.719   2.620   1.036
   87   1HB   CYS  17          1HB       CYS  17  -4.408   2.817   2.792
   88   2HB   CYS  17          2HB       CYS  17  -4.106   4.539   2.920
   89    H    SER  18           H        SER  18  -1.275   3.536  -0.478
   90    HA   SER  18           HA       SER  18  -1.164   6.442  -0.459
   91   1HB   SER  18          1HB       SER  18   1.040   5.576  -0.607
   92   2HB   SER  18          2HB       SER  18   0.569   4.291  -1.701
   93    HG   SER  18           HG       SER  18   0.179   6.974  -2.586
   94    H    TRP  19           H        TRP  19  -3.562   6.228  -1.165
   95    HA   TRP  19           HA       TRP  19  -4.557   4.893  -3.232
   96   1HB   TRP  19          1HB       TRP  19  -5.399   6.978  -1.686
   97   2HB   TRP  19          2HB       TRP  19  -5.352   7.729  -3.268
   98    HD1  TRP  19           HD       TRP  19  -7.193   4.918  -1.372
   99    HE1  TRP  19           1HE      TRP  19  -9.406   4.211  -2.624
  100    HE3  TRP  19           3HE      TRP  19  -6.343   7.699  -5.542
  101    HZ2  TRP  19           2HZ      TRP  19 -10.526   4.880  -5.162
  102    HZ3  TRP  19           3HZ      TRP  19  -8.046   7.616  -7.361
  103    HH2  TRP  19           HH       TRP  19 -10.080   6.269  -7.220
  104    HA   PRO  20           HA       PRO  20  -5.646   4.892  -4.793
  105   1HB   PRO  20          1HB       PRO  20  -5.698   3.636  -7.219
  106   2HB   PRO  20          2HB       PRO  20  -6.563   5.124  -6.891
  107   1HG   PRO  20          1HG       PRO  20  -4.075   4.729  -8.437
  108   2HG   PRO  20          2HG       PRO  20  -5.170   6.098  -8.450
  109   1HD   PRO  20          1HD       PRO  20  -2.620   5.952  -7.144
  110   2HD   PRO  20          2HD       PRO  20  -3.765   7.276  -7.062
  111    H    VAL  21           H        VAL  21  -2.410   4.269  -5.309
  112    HA   VAL  21           HA       VAL  21  -2.816   1.384  -5.094
  113    HB   VAL  21           HB       VAL  21  -1.392   2.504  -6.888
  114   1HG1  VAL  21          1HG1      VAL  21   1.008   2.894  -6.119
  115   2HG1  VAL  21          2HG1      VAL  21  -0.181   4.144  -5.680
  116   3HG1  VAL  21          3HG1      VAL  21   0.360   2.964  -4.463
  117   1HG2  VAL  21          1HG2      VAL  21  -0.181   0.580  -7.112
  118   2HG2  VAL  21          2HG2      VAL  21   0.331   0.568  -5.408
  119   3HG2  VAL  21          3HG2      VAL  21  -1.311   0.040  -5.847
  120    H    CYS  22           H        CYS  22  -0.759   0.389  -3.765
  121    HA   CYS  22           HA       CYS  22  -1.024   1.647  -1.146
  122   1HB   CYS  22          1HB       CYS  22  -0.683  -1.148  -2.097
  123   2HB   CYS  22          2HB       CYS  22   0.110  -0.726  -0.592
  124    H    THR  23           H        THR  23   1.079   1.317   0.267
  125    HA   THR  23           HA       THR  23   3.515   1.407  -1.321
  126    HB   THR  23           HB       THR  23   3.993   3.600   0.164
  127    HG1  THR  23           1HG      THR  23   1.765   3.263   1.108
  128   1HG2  THR  23          1HG2      THR  23   2.267   3.501  -2.360
  129   2HG2  THR  23          2HG2      THR  23   2.884   5.019  -1.666
  130   3HG2  THR  23          3HG2      THR  23   4.021   3.789  -2.269
  131    H    ARG  24           H        ARG  24   5.485   1.567   0.189
  132    HA   ARG  24           HA       ARG  24   4.869   0.459   2.776
  133   1HB   ARG  24          1HB       ARG  24   5.171  -1.595   1.583
  134   2HB   ARG  24          2HB       ARG  24   6.466  -0.941   0.600
  135   1HG   ARG  24          1HG       ARG  24   8.069  -1.182   2.284
  136   2HG   ARG  24          2HG       ARG  24   6.902  -0.998   3.578
  137   1HD   ARG  24          1HD       ARG  24   6.019  -3.259   3.189
  138   2HD   ARG  24          2HD       ARG  24   7.003  -3.445   1.751
  139    HE   ARG  24           HE       ARG  24   7.928  -3.612   4.546
  140   1HH1  ARG  24          2HH2      ARG  24   8.852  -3.307   1.164
  141   2HH1  ARG  24          1HH2      ARG  24  10.469  -3.871   1.423
  142   1HH2  ARG  24          2HH1      ARG  24  10.061  -4.357   4.887
  143   2HH2  ARG  24          1HH1      ARG  24  11.161  -4.473   3.555
  144    H    ASN  25           H        ASN  25   6.085   1.602   4.252
  145    HA   ASN  25           HA       ASN  25   7.647   2.825   5.125
  146   1HB   ASN  25          1HB       ASN  25   9.070   0.783   4.502
  147   2HB   ASN  25          2HB       ASN  25   9.561   1.634   3.051
  148   1HD2  ASN  25          1HD2      ASN  25   9.894   1.313   6.458
  149   2HD2  ASN  25          2HD2      ASN  25  11.161   2.465   6.717
  150    H    GLY  26           H        GLY  26   6.150   3.684   2.581
  151   1HA   GLY  26          1HA       GLY  26   6.042   5.714   1.540
  152   2HA   GLY  26          2HA       GLY  26   7.655   6.107   2.099
  153    H    LEU  27           H        LEU  27   7.086   2.975   0.545
  154    HA   LEU  27           HA       LEU  27   7.924   3.988  -2.036
  155   1HB   LEU  27          1HB       LEU  27   9.569   1.940  -0.544
  156   2HB   LEU  27          2HB       LEU  27   9.825   2.480  -2.191
  157    HG   LEU  27           HG       LEU  27   9.942   4.380   0.156
  158   1HD1  LEU  27          1HD1      LEU  27  11.851   2.300  -0.604
  159   2HD1  LEU  27          2HD1      LEU  27  12.564   3.931  -0.582
  160   3HD1  LEU  27          3HD1      LEU  27  11.755   3.294   0.870
  161   1HD2  LEU  27          1HD2      LEU  27  11.359   4.642  -2.491
  162   2HD2  LEU  27          2HD2      LEU  27   9.672   5.168  -2.279
  163   3HD2  LEU  27          3HD2      LEU  27  10.962   5.898  -1.294
  164    HA   PRO  28           HA       PRO  28   4.893   1.169  -2.846
  165   1HB   PRO  28          1HB       PRO  28   4.862   1.253  -5.590
  166   2HB   PRO  28          2HB       PRO  28   4.113   2.505  -4.542
  167   1HG   PRO  28          1HG       PRO  28   6.767   2.533  -5.978
  168   2HG   PRO  28          2HG       PRO  28   5.661   3.893  -5.589
  169   1HD   PRO  28          1HD       PRO  28   8.001   3.314  -4.178
  170   2HD   PRO  28          2HD       PRO  28   6.606   4.216  -3.495
  171    H    VAL  29           H        VAL  29   6.026  -0.647  -1.869
  172    HA   VAL  29           HA       VAL  29   6.879  -2.474  -4.006
  173    HB   VAL  29           HB       VAL  29   8.451  -3.429  -2.316
  174   1HG1  VAL  29          1HG1      VAL  29  10.069  -1.409  -2.462
  175   2HG1  VAL  29          2HG1      VAL  29   9.484  -2.144  -3.973
  176   3HG1  VAL  29          3HG1      VAL  29   8.765  -0.625  -3.385
  177   1HG2  VAL  29          1HG2      VAL  29   7.895  -0.865  -0.786
  178   2HG2  VAL  29          2HG2      VAL  29   7.337  -2.486  -0.305
  179   3HG2  VAL  29          3HG2      VAL  29   9.080  -2.126  -0.367
  Start of MODEL    7
    1    H    CYS   1           H        CYS   1   4.219  -2.082  -2.880
    2    HA   CYS   1           HA       CYS   1   3.790  -4.431  -1.210
    3   1HB   CYS   1          1HB       CYS   1   1.925  -2.160  -1.928
    4   2HB   CYS   1          2HB       CYS   1   1.509  -3.523  -0.908
    5    H    GLY   2           H        GLY   2   2.943  -2.846  -4.337
    6   1HA   GLY   2          1HA       GLY   2   2.469  -3.863  -6.324
    7   2HA   GLY   2          2HA       GLY   2   2.435  -5.428  -5.535
    8    H    GLU   3           H        GLU   3   0.576  -3.780  -3.443
    9    HA   GLU   3           HA       GLU   3  -1.823  -4.485  -4.916
   10   1HB   GLU   3          1HB       GLU   3  -2.848  -4.943  -2.864
   11   2HB   GLU   3          2HB       GLU   3  -1.188  -5.399  -2.537
   12   1HG   GLU   3          1HG       GLU   3  -0.824  -3.016  -1.641
   13   2HG   GLU   3          2HG       GLU   3  -2.556  -2.783  -1.766
   14    H    THR   4           H        THR   4  -3.836  -3.034  -4.166
   15    HA   THR   4           HA       THR   4  -2.963  -0.226  -4.091
   16    HB   THR   4           HB       THR   4  -4.779   0.213  -5.793
   17    HG1  THR   4           1HG      THR   4  -6.138  -1.535  -5.899
   18   1HG2  THR   4          1HG2      THR   4  -2.469  -1.645  -6.395
   19   2HG2  THR   4          2HG2      THR   4  -3.698  -1.395  -7.658
   20   3HG2  THR   4          3HG2      THR   4  -2.785  -0.008  -7.018
   21    H    CYS   5           H        CYS   5  -4.270   1.208  -2.947
   22    HA   CYS   5           HA       CYS   5  -6.167  -0.172  -1.210
   23   1HB   CYS   5          1HB       CYS   5  -5.810   1.509   0.400
   24   2HB   CYS   5          2HB       CYS   5  -4.231   1.028  -0.188
   25    H    VAL   6           H        VAL   6  -7.239   0.115  -3.674
   26    HA   VAL   6           HA       VAL   6  -8.287   2.607  -4.333
   27    HB   VAL   6           HB       VAL   6  -8.954  -0.247  -4.950
   28   1HG1  VAL   6          1HG1      VAL   6 -10.725   0.481  -6.497
   29   2HG1  VAL   6          2HG1      VAL   6 -11.137   0.855  -4.806
   30   3HG1  VAL   6          3HG1      VAL   6 -10.570   2.148  -5.890
   31   1HG2  VAL   6          1HG2      VAL   6  -8.554   0.827  -7.320
   32   2HG2  VAL   6          2HG2      VAL   6  -7.758   2.110  -6.377
   33   3HG2  VAL   6          3HG2      VAL   6  -7.178   0.431  -6.263
   34    H    GLY   7           H        GLY   7  -9.136   0.279  -1.837
   35   1HA   GLY   7          1HA       GLY   7 -11.806   1.336  -1.452
   36   2HA   GLY   7          2HA       GLY   7 -10.993   0.100  -0.513
   37    H    GLY   8           H        GLY   8  -8.485   1.774  -0.174
   38   1HA   GLY   8          1HA       GLY   8  -8.138   3.972   0.804
   39   2HA   GLY   8          2HA       GLY   8  -9.583   3.723   1.764
   40    H    THR   9           H        THR   9  -7.712   0.830   1.282
   41    HA   THR   9           HA       THR   9  -6.039   1.256   3.606
   42    HB   THR   9           HB       THR   9  -8.224  -0.892   3.580
   43    HG1  THR   9           1HG      THR   9  -9.151   1.185   3.961
   44   1HG2  THR   9          1HG2      THR   9  -6.144   0.038   5.618
   45   2HG2  THR   9          2HG2      THR   9  -7.613  -0.847   6.096
   46   3HG2  THR   9          3HG2      THR   9  -6.419  -1.618   5.024
   47    H    CYS  10           H        CYS  10  -4.639  -0.711   4.025
   48    HA   CYS  10           HA       CYS  10  -4.141  -2.016   1.447
   49   1HB   CYS  10          1HB       CYS  10  -2.162  -1.089   3.536
   50   2HB   CYS  10          2HB       CYS  10  -1.748  -2.137   2.194
   51    H    ASN  11           H        ASN  11  -3.745  -4.285   1.522
   52    HA   ASN  11           HA       ASN  11  -4.650  -5.499   3.960
   53   1HB   ASN  11          1HB       ASN  11  -5.292  -6.142   1.476
   54   2HB   ASN  11          2HB       ASN  11  -3.756  -6.985   1.455
   55   1HD2  ASN  11          1HD2      ASN  11  -4.761  -8.969   1.229
   56   2HD2  ASN  11          2HD2      ASN  11  -5.565  -9.780   2.531
   57    H    THR  12           H        THR  12  -1.764  -5.299   1.805
   58    HA   THR  12           HA       THR  12  -0.224  -7.250   3.141
   59    HB   THR  12           HB       THR  12   0.415  -4.883   1.311
   60    HG1  THR  12           1HG      THR  12   0.672  -6.841  -0.106
   61   1HG2  THR  12          1HG2      THR  12   2.237  -7.266   1.788
   62   2HG2  THR  12          2HG2      THR  12   2.634  -5.685   1.072
   63   3HG2  THR  12          3HG2      THR  12   2.381  -5.829   2.828
   64    HA   PRO  13           HA       PRO  13   0.683  -5.370   6.727
   65   1HB   PRO  13          1HB       PRO  13   2.920  -6.728   7.556
   66   2HB   PRO  13          2HB       PRO  13   1.256  -7.398   7.635
   67   1HG   PRO  13          1HG       PRO  13   3.434  -7.891   5.606
   68   2HG   PRO  13          2HG       PRO  13   2.140  -8.991   6.187
   69   1HD   PRO  13          1HD       PRO  13   2.080  -7.644   3.742
   70   2HD   PRO  13          2HD       PRO  13   0.620  -8.226   4.611
   71    H    GLY  14           H        GLY  14   1.421  -3.456   7.491
   72   1HA   GLY  14          1HA       GLY  14   2.902  -1.771   7.807
   73   2HA   GLY  14          2HA       GLY  14   4.156  -2.726   7.042
   74    H    CYS  15           H        CYS  15   1.258  -2.574   5.150
   75    HA   CYS  15           HA       CYS  15   2.608  -0.752   3.336
   76   1HB   CYS  15          1HB       CYS  15   0.338  -2.707   3.000
   77   2HB   CYS  15          2HB       CYS  15   0.713  -1.505   1.782
   78    H    THR  16           H        THR  16   1.899   1.354   3.082
   79    HA   THR  16           HA       THR  16  -0.484   2.122   4.593
   80    HB   THR  16           HB       THR  16   0.518   4.437   4.194
   81    HG1  THR  16           1HG      THR  16   1.646   3.518   2.203
   82   1HG2  THR  16          1HG2      THR  16   2.220   2.232   5.441
   83   2HG2  THR  16          2HG2      THR  16   2.756   3.930   5.432
   84   3HG2  THR  16          3HG2      THR  16   1.255   3.474   6.275
   85    H    CYS  17           H        CYS  17  -2.165   3.409   3.695
   86    HA   CYS  17           HA       CYS  17  -2.772   2.600   1.035
   87   1HB   CYS  17          1HB       CYS  17  -4.538   2.673   2.646
   88   2HB   CYS  17          2HB       CYS  17  -4.206   4.349   3.036
   89    H    SER  18           H        SER  18  -1.278   3.581  -0.406
   90    HA   SER  18           HA       SER  18  -1.252   6.484  -0.354
   91   1HB   SER  18          1HB       SER  18   0.580   4.367  -1.421
   92   2HB   SER  18          2HB       SER  18   0.488   5.851  -2.348
   93    HG   SER  18           HG       SER  18   0.786   6.091   0.477
   94    H    TRP  19           H        TRP  19  -3.645   6.229  -1.080
   95    HA   TRP  19           HA       TRP  19  -4.595   4.912  -3.177
   96   1HB   TRP  19          1HB       TRP  19  -5.486   6.962  -1.603
   97   2HB   TRP  19          2HB       TRP  19  -5.458   7.725  -3.181
   98    HD1  TRP  19           HD       TRP  19  -7.220   4.842  -1.311
   99    HE1  TRP  19           1HE      TRP  19  -9.418   4.096  -2.566
  100    HE3  TRP  19           3HE      TRP  19  -6.461   7.705  -5.444
  101    HZ2  TRP  19           2HZ      TRP  19 -10.567   4.771  -5.089
  102    HZ3  TRP  19           3HZ      TRP  19  -8.169   7.603  -7.257
  103    HH2  TRP  19           HH       TRP  19 -10.166   6.201  -7.128
  104    HA   PRO  20           HA       PRO  20  -5.679   4.920  -4.745
  105   1HB   PRO  20          1HB       PRO  20  -5.694   3.708  -7.194
  106   2HB   PRO  20          2HB       PRO  20  -6.588   5.174  -6.845
  107   1HG   PRO  20          1HG       PRO  20  -4.083   4.853  -8.382
  108   2HG   PRO  20          2HG       PRO  20  -5.202   6.201  -8.377
  109   1HD   PRO  20          1HD       PRO  20  -2.658   6.078  -7.058
  110   2HD   PRO  20          2HD       PRO  20  -3.829   7.379  -6.959
  111    H    VAL  21           H        VAL  21  -2.429   4.368  -5.242
  112    HA   VAL  21           HA       VAL  21  -2.787   1.472  -5.086
  113    HB   VAL  21           HB       VAL  21  -1.398   2.605  -6.877
  114   1HG1  VAL  21          1HG1      VAL  21   1.007   2.749  -5.264
  115   2HG1  VAL  21          2HG1      VAL  21   0.301   3.959  -6.362
  116   3HG1  VAL  21          3HG1      VAL  21  -0.228   3.883  -4.664
  117   1HG2  VAL  21          1HG2      VAL  21   0.424   0.770  -5.393
  118   2HG2  VAL  21          2HG2      VAL  21  -1.202   0.161  -5.786
  119   3HG2  VAL  21          3HG2      VAL  21  -0.124   0.725  -7.086
  120    H    CYS  22           H        CYS  22  -0.750   0.465  -3.768
  121    HA   CYS  22           HA       CYS  22  -0.993   1.703  -1.138
  122   1HB   CYS  22          1HB       CYS  22  -0.669  -1.088  -2.111
  123   2HB   CYS  22          2HB       CYS  22   0.119  -0.679  -0.600
  124    H    THR  23           H        THR  23   1.124   1.301   0.262
  125    HA   THR  23           HA       THR  23   3.556   1.352  -1.312
  126    HB   THR  23           HB       THR  23   4.076   3.598   0.053
  127    HG1  THR  23           1HG      THR  23   2.135   4.625   0.621
  128   1HG2  THR  23          1HG2      THR  23   3.162   4.971  -1.808
  129   2HG2  THR  23          2HG2      THR  23   3.935   3.505  -2.459
  130   3HG2  THR  23          3HG2      THR  23   2.161   3.598  -2.341
  131    H    ARG  24           H        ARG  24   5.521   1.445   0.149
  132    HA   ARG  24           HA       ARG  24   4.870   0.486   2.796
  133   1HB   ARG  24          1HB       ARG  24   5.156  -1.619   1.714
  134   2HB   ARG  24          2HB       ARG  24   6.428  -1.019   0.668
  135   1HG   ARG  24          1HG       ARG  24   8.064  -1.097   2.379
  136   2HG   ARG  24          2HG       ARG  24   6.873  -1.032   3.663
  137   1HD   ARG  24          1HD       ARG  24   6.274  -3.321   3.407
  138   2HD   ARG  24          2HD       ARG  24   6.911  -3.409   1.777
  139    HE   ARG  24           HE       ARG  24   9.041  -3.841   2.651
  140   1HH1  ARG  24          2HH2      ARG  24   6.988  -2.539   5.195
  141   2HH1  ARG  24          1HH2      ARG  24   8.144  -2.830   6.452
  142   1HH2  ARG  24          2HH1      ARG  24  10.566  -4.225   4.309
  143   2HH2  ARG  24          1HH1      ARG  24  10.193  -3.795   5.945
  144    H    ASN  25           H        ASN  25   6.095   1.655   4.242
  145    HA   ASN  25           HA       ASN  25   7.670   2.882   5.085
  146   1HB   ASN  25          1HB       ASN  25   9.065   0.798   4.507
  147   2HB   ASN  25          2HB       ASN  25   9.589   1.629   3.055
  148   1HD2  ASN  25          1HD2      ASN  25   9.923   1.280   6.442
  149   2HD2  ASN  25          2HD2      ASN  25  11.180   2.439   6.720
  150    H    GLY  26           H        GLY  26   6.197   3.672   2.497
  151   1HA   GLY  26          1HA       GLY  26   6.115   5.674   1.399
  152   2HA   GLY  26          2HA       GLY  26   7.729   6.067   1.955
  153    H    LEU  27           H        LEU  27   7.144   2.894   0.499
  154    HA   LEU  27           HA       LEU  27   8.022   3.824  -2.104
  155   1HB   LEU  27          1HB       LEU  27   9.585   1.717  -0.613
  156   2HB   LEU  27          2HB       LEU  27   9.909   2.347  -2.216
  157    HG   LEU  27           HG       LEU  27   9.975   4.110   0.237
  158   1HD1  LEU  27          1HD1      LEU  27  11.526   2.162   0.497
  159   2HD1  LEU  27          2HD1      LEU  27  12.364   2.701  -0.978
  160   3HD1  LEU  27          3HD1      LEU  27  12.328   3.750   0.460
  161   1HD2  LEU  27          1HD2      LEU  27  10.950   5.716  -1.080
  162   2HD2  LEU  27          2HD2      LEU  27  11.596   4.535  -2.245
  163   3HD2  LEU  27          3HD2      LEU  27   9.862   4.939  -2.255
  164    HA   PRO  28           HA       PRO  28   4.927   1.067  -2.886
  165   1HB   PRO  28          1HB       PRO  28   4.934   1.083  -5.631
  166   2HB   PRO  28          2HB       PRO  28   4.206   2.380  -4.625
  167   1HG   PRO  28          1HG       PRO  28   6.878   2.302  -6.025
  168   2HG   PRO  28          2HG       PRO  28   5.804   3.700  -5.685
  169   1HD   PRO  28          1HD       PRO  28   8.109   3.094  -4.229
  170   2HD   PRO  28          2HD       PRO  28   6.730   4.050  -3.587
  171    H    VAL  29           H        VAL  29   6.118  -0.712  -1.834
  172    HA   VAL  29           HA       VAL  29   6.932  -2.621  -3.917
  173    HB   VAL  29           HB       VAL  29   8.472  -3.562  -2.250
  174   1HG1  VAL  29          1HG1      VAL  29   9.631  -2.184  -3.689
  175   2HG1  VAL  29          2HG1      VAL  29   8.731  -0.728  -3.201
  176   3HG1  VAL  29          3HG1      VAL  29   9.985  -1.399  -2.131
  177   1HG2  VAL  29          1HG2      VAL  29   7.120  -2.626  -0.274
  178   2HG2  VAL  29          2HG2      VAL  29   8.895  -2.596  -0.145
  179   3HG2  VAL  29          3HG2      VAL  29   8.007  -1.107  -0.548
  Start of MODEL    8
    1    H    CYS   1           H        CYS   1   4.265  -1.891  -2.961
    2    HA   CYS   1           HA       CYS   1   3.981  -4.236  -1.255
    3   1HB   CYS   1          1HB       CYS   1   2.155  -1.907  -1.846
    4   2HB   CYS   1          2HB       CYS   1   1.609  -3.346  -1.009
    5    H    GLY   2           H        GLY   2   2.644  -2.631  -4.229
    6   1HA   GLY   2          1HA       GLY   2   2.188  -3.697  -6.228
    7   2HA   GLY   2          2HA       GLY   2   2.251  -5.259  -5.436
    8    H    GLU   3           H        GLU   3   0.493  -3.816  -3.187
    9    HA   GLU   3           HA       GLU   3  -1.963  -4.648  -4.425
   10   1HB   GLU   3          1HB       GLU   3  -1.048  -5.133  -1.968
   11   2HB   GLU   3          2HB       GLU   3  -1.792  -3.588  -1.604
   12   1HG   GLU   3          1HG       GLU   3  -3.967  -4.396  -2.495
   13   2HG   GLU   3          2HG       GLU   3  -3.236  -5.924  -2.944
   14    H    THR   4           H        THR   4  -3.993  -3.267  -4.054
   15    HA   THR   4           HA       THR   4  -3.294  -0.412  -4.267
   16    HB   THR   4           HB       THR   4  -5.197  -0.305  -5.924
   17    HG1  THR   4           1HG      THR   4  -4.935  -3.214  -5.747
   18   1HG2  THR   4          1HG2      THR   4  -3.278  -0.591  -7.234
   19   2HG2  THR   4          2HG2      THR   4  -2.792  -2.071  -6.372
   20   3HG2  THR   4          3HG2      THR   4  -4.093  -2.134  -7.585
   21    H    CYS   5           H        CYS   5  -4.332   0.986  -2.955
   22    HA   CYS   5           HA       CYS   5  -6.297  -0.225  -1.177
   23   1HB   CYS   5          1HB       CYS   5  -5.793   1.453   0.392
   24   2HB   CYS   5          2HB       CYS   5  -4.261   0.879  -0.234
   25    H    VAL   6           H        VAL   6  -7.403   0.084  -3.628
   26    HA   VAL   6           HA       VAL   6  -8.316   2.624  -4.305
   27    HB   VAL   6           HB       VAL   6  -9.224  -0.188  -4.845
   28   1HG1  VAL   6          1HG1      VAL   6 -10.713   2.346  -5.384
   29   2HG1  VAL   6          2HG1      VAL   6 -10.682   1.111  -6.665
   30   3HG1  VAL   6          3HG1      VAL   6 -11.321   0.706  -5.054
   31   1HG2  VAL   6          1HG2      VAL   6  -7.332   0.298  -6.114
   32   2HG2  VAL   6          2HG2      VAL   6  -8.661   0.686  -7.232
   33   3HG2  VAL   6          3HG2      VAL   6  -7.812   1.992  -6.371
   34    H    GLY   7           H        GLY   7  -9.240   0.392  -1.751
   35   1HA   GLY   7          1HA       GLY   7 -11.840   1.600  -1.332
   36   2HA   GLY   7          2HA       GLY   7 -11.074   0.340  -0.386
   37    H    GLY   8           H        GLY   8  -8.476   1.898  -0.152
   38   1HA   GLY   8          1HA       GLY   8  -7.993   4.091   0.777
   39   2HA   GLY   8          2HA       GLY   8  -9.421   3.931   1.779
   40    H    THR   9           H        THR   9  -7.673   0.955   1.280
   41    HA   THR   9           HA       THR   9  -5.951   1.334   3.578
   42    HB   THR   9           HB       THR   9  -8.219  -0.726   3.586
   43    HG1  THR   9           1HG      THR   9  -9.130   1.284   4.098
   44   1HG2  THR   9          1HG2      THR   9  -6.052   0.084   5.583
   45   2HG2  THR   9          2HG2      THR   9  -7.547  -0.741   6.085
   46   3HG2  THR   9          3HG2      THR   9  -6.414  -1.550   4.977
   47    H    CYS  10           H        CYS  10  -4.618  -0.687   3.987
   48    HA   CYS  10           HA       CYS  10  -4.235  -2.057   1.424
   49   1HB   CYS  10          1HB       CYS  10  -2.141  -1.057   3.362
   50   2HB   CYS  10          2HB       CYS  10  -1.805  -2.174   2.054
   51    H    ASN  11           H        ASN  11  -3.781  -4.325   1.580
   52    HA   ASN  11           HA       ASN  11  -4.614  -5.438   4.091
   53   1HB   ASN  11          1HB       ASN  11  -3.978  -6.678   1.365
   54   2HB   ASN  11          2HB       ASN  11  -4.472  -7.631   2.751
   55   1HD2  ASN  11          1HD2      ASN  11  -6.207  -8.236   1.272
   56   2HD2  ASN  11          2HD2      ASN  11  -7.643  -7.271   1.192
   57    H    THR  12           H        THR  12  -1.835  -5.543   1.755
   58    HA   THR  12           HA       THR  12  -0.233  -7.356   3.110
   59    HB   THR  12           HB       THR  12   0.388  -4.961   1.307
   60    HG1  THR  12           1HG      THR  12   0.669  -7.002  -0.097
   61   1HG2  THR  12          1HG2      THR  12   2.368  -5.988   2.752
   62   2HG2  THR  12          2HG2      THR  12   2.167  -7.394   1.680
   63   3HG2  THR  12          3HG2      THR  12   2.582  -5.805   0.994
   64    HA   PRO  13           HA       PRO  13   0.723  -5.499   6.696
   65   1HB   PRO  13          1HB       PRO  13   2.972  -6.862   7.482
   66   2HB   PRO  13          2HB       PRO  13   1.309  -7.533   7.583
   67   1HG   PRO  13          1HG       PRO  13   3.456  -8.013   5.518
   68   2HG   PRO  13          2HG       PRO  13   2.170  -9.117   6.111
   69   1HD   PRO  13          1HD       PRO  13   2.074  -7.754   3.676
   70   2HD   PRO  13          2HD       PRO  13   0.627  -8.341   4.563
   71    H    GLY  14           H        GLY  14   1.486  -3.600   7.480
   72   1HA   GLY  14          1HA       GLY  14   2.957  -1.906   7.770
   73   2HA   GLY  14          2HA       GLY  14   4.209  -2.864   7.004
   74    H    CYS  15           H        CYS  15   1.265  -2.660   5.158
   75    HA   CYS  15           HA       CYS  15   2.631  -0.887   3.306
   76   1HB   CYS  15          1HB       CYS  15   0.308  -2.788   3.024
   77   2HB   CYS  15          2HB       CYS  15   0.682  -1.596   1.795
   78    H    THR  16           H        THR  16   1.845   1.186   2.842
   79    HA   THR  16           HA       THR  16  -0.443   2.046   4.469
   80    HB   THR  16           HB       THR  16   0.580   4.300   4.175
   81    HG1  THR  16           1HG      THR  16   2.751   2.877   2.868
   82   1HG2  THR  16          1HG2      THR  16   2.550   2.082   4.925
   83   2HG2  THR  16          2HG2      THR  16   2.927   3.813   5.098
   84   3HG2  THR  16          3HG2      THR  16   1.596   3.094   6.036
   85    H    CYS  17           H        CYS  17  -2.071   3.438   3.565
   86    HA   CYS  17           HA       CYS  17  -2.759   2.566   0.933
   87   1HB   CYS  17          1HB       CYS  17  -4.475   2.721   2.622
   88   2HB   CYS  17          2HB       CYS  17  -4.129   4.418   2.891
   89    H    SER  18           H        SER  18  -1.215   3.491  -0.510
   90    HA   SER  18           HA       SER  18  -1.157   6.393  -0.528
   91   1HB   SER  18          1HB       SER  18   1.046   5.456  -0.644
   92   2HB   SER  18          2HB       SER  18   0.568   4.261  -1.833
   93    HG   SER  18           HG       SER  18   0.653   7.126  -2.274
   94    H    TRP  19           H        TRP  19  -3.556   6.157  -1.240
   95    HA   TRP  19           HA       TRP  19  -4.541   4.815  -3.300
   96   1HB   TRP  19          1HB       TRP  19  -5.429   6.852  -1.766
   97   2HB   TRP  19          2HB       TRP  19  -5.298   7.677  -3.306
   98    HD1  TRP  19           HD       TRP  19  -7.327   4.904  -1.585
   99    HE1  TRP  19           1HE      TRP  19  -9.471   4.268  -2.985
  100    HE3  TRP  19           3HE      TRP  19  -6.107   7.651  -5.686
  101    HZ2  TRP  19           2HZ      TRP  19 -10.396   4.969  -5.592
  102    HZ3  TRP  19           3HZ      TRP  19  -7.685   7.620  -7.616
  103    HH2  TRP  19           HH       TRP  19  -9.767   6.340  -7.613
  104    HA   PRO  20           HA       PRO  20  -5.603   4.768  -4.864
  105   1HB   PRO  20          1HB       PRO  20  -5.621   3.475  -7.271
  106   2HB   PRO  20          2HB       PRO  20  -6.507   4.956  -6.973
  107   1HG   PRO  20          1HG       PRO  20  -4.001   4.570  -8.493
  108   2HG   PRO  20          2HG       PRO  20  -5.113   5.923  -8.536
  109   1HD   PRO  20          1HD       PRO  20  -2.572   5.831  -7.209
  110   2HD   PRO  20          2HD       PRO  20  -3.735   7.140  -7.156
  111    H    VAL  21           H        VAL  21  -2.354   4.168  -5.377
  112    HA   VAL  21           HA       VAL  21  -2.734   1.285  -5.121
  113    HB   VAL  21           HB       VAL  21  -1.265   2.562  -6.876
  114   1HG1  VAL  21          1HG1      VAL  21  -0.029   3.572  -4.692
  115   2HG1  VAL  21          2HG1      VAL  21   0.986   2.139  -4.984
  116   3HG1  VAL  21          3HG1      VAL  21   0.773   3.355  -6.267
  117   1HG2  VAL  21          1HG2      VAL  21   0.198   0.282  -5.605
  118   2HG2  VAL  21          2HG2      VAL  21  -1.465   0.004  -6.176
  119   3HG2  VAL  21          3HG2      VAL  21  -0.217   0.569  -7.312
  120    H    CYS  22           H        CYS  22  -0.692   0.310  -3.772
  121    HA   CYS  22           HA       CYS  22  -0.959   1.604  -1.171
  122   1HB   CYS  22          1HB       CYS  22  -0.392  -1.221  -2.029
  123   2HB   CYS  22          2HB       CYS  22   0.034  -0.673  -0.419
  124    H    THR  23           H        THR  23   1.158   1.224   0.249
  125    HA   THR  23           HA       THR  23   3.589   1.321  -1.340
  126    HB   THR  23           HB       THR  23   4.069   3.523   0.138
  127    HG1  THR  23           1HG      THR  23   1.893   3.302   1.117
  128   1HG2  THR  23          1HG2      THR  23   2.311   3.471  -2.371
  129   2HG2  THR  23          2HG2      THR  23   3.061   4.942  -1.707
  130   3HG2  THR  23          3HG2      THR  23   4.084   3.624  -2.328
  131    H    ARG  24           H        ARG  24   5.561   1.439   0.142
  132    HA   ARG  24           HA       ARG  24   4.920   0.297   2.722
  133   1HB   ARG  24          1HB       ARG  24   5.368  -1.712   1.524
  134   2HB   ARG  24          2HB       ARG  24   6.608  -0.963   0.537
  135   1HG   ARG  24          1HG       ARG  24   8.252  -1.343   2.087
  136   2HG   ARG  24          2HG       ARG  24   7.231  -0.868   3.430
  137   1HD   ARG  24          1HD       ARG  24   6.429  -3.028   3.778
  138   2HD   ARG  24          2HD       ARG  24   6.532  -3.461   2.083
  139    HE   ARG  24           HE       ARG  24   9.162  -3.011   3.266
  140   1HH1  ARG  24          2HH2      ARG  24   6.590  -5.377   2.852
  141   2HH1  ARG  24          1HH2      ARG  24   7.637  -6.741   3.064
  142   1HH2  ARG  24          2HH1      ARG  24  10.543  -4.810   3.545
  143   2HH2  ARG  24          1HH1      ARG  24   9.901  -6.416   3.461
  144    H    ASN  25           H        ASN  25   6.029   1.456   4.267
  145    HA   ASN  25           HA       ASN  25   7.497   2.732   5.222
  146   1HB   ASN  25          1HB       ASN  25   9.331   1.313   3.241
  147   2HB   ASN  25          2HB       ASN  25   9.974   2.510   4.348
  148   1HD2  ASN  25          1HD2      ASN  25  10.298  -0.447   4.078
  149   2HD2  ASN  25          2HD2      ASN  25   9.976  -1.113   5.644
  150    H    GLY  26           H        GLY  26   6.048   3.580   2.642
  151   1HA   GLY  26          1HA       GLY  26   5.874   5.631   1.651
  152   2HA   GLY  26          2HA       GLY  26   7.446   6.088   2.276
  153    H    LEU  27           H        LEU  27   7.045   2.981   0.607
  154    HA   LEU  27           HA       LEU  27   7.981   4.114  -1.894
  155   1HB   LEU  27          1HB       LEU  27   9.556   1.964  -0.478
  156   2HB   LEU  27          2HB       LEU  27   9.913   2.689  -2.033
  157    HG   LEU  27           HG       LEU  27   9.835   4.337   0.496
  158   1HD1  LEU  27          1HD1      LEU  27  12.528   3.758  -0.280
  159   2HD1  LEU  27          2HD1      LEU  27  11.708   3.441   1.268
  160   3HD1  LEU  27          3HD1      LEU  27  11.655   2.227  -0.033
  161   1HD2  LEU  27          1HD2      LEU  27  10.103   5.975  -0.987
  162   2HD2  LEU  27          2HD2      LEU  27  11.746   5.342  -1.250
  163   3HD2  LEU  27          3HD2      LEU  27  10.414   4.831  -2.315
  164    HA   PRO  28           HA       PRO  28   5.026   1.333  -3.019
  165   1HB   PRO  28          1HB       PRO  28   5.206   1.482  -5.754
  166   2HB   PRO  28          2HB       PRO  28   4.390   2.716  -4.736
  167   1HG   PRO  28          1HG       PRO  28   7.146   2.750  -5.965
  168   2HG   PRO  28          2HG       PRO  28   6.025   4.112  -5.629
  169   1HD   PRO  28          1HD       PRO  28   8.246   3.476  -4.059
  170   2HD   PRO  28          2HD       PRO  28   6.810   4.376  -3.462
  171    H    VAL  29           H        VAL  29   6.016  -0.534  -2.015
  172    HA   VAL  29           HA       VAL  29   6.925  -2.352  -4.126
  173    HB   VAL  29           HB       VAL  29   8.608  -3.251  -2.621
  174   1HG1  VAL  29          1HG1      VAL  29   9.716  -1.771  -3.947
  175   2HG1  VAL  29          2HG1      VAL  29   8.657  -0.410  -3.508
  176   3HG1  VAL  29          3HG1      VAL  29   9.949  -0.926  -2.398
  177   1HG2  VAL  29          1HG2      VAL  29   8.148  -0.936  -0.735
  178   2HG2  VAL  29          2HG2      VAL  29   7.315  -2.495  -0.521
  179   3HG2  VAL  29          3HG2      VAL  29   9.093  -2.423  -0.478
  Start of MODEL    9
    1    H    CYS   1           H        CYS   1   4.336  -1.936  -2.899
    2    HA   CYS   1           HA       CYS   1   3.957  -4.312  -1.255
    3   1HB   CYS   1          1HB       CYS   1   2.139  -1.978  -1.873
    4   2HB   CYS   1          2HB       CYS   1   1.626  -3.403  -0.991
    5    H    GLY   2           H        GLY   2   2.544  -2.594  -4.142
    6   1HA   GLY   2          1HA       GLY   2   2.162  -3.598  -6.207
    7   2HA   GLY   2          2HA       GLY   2   2.221  -5.186  -5.467
    8    H    GLU   3           H        GLU   3   0.447  -3.816  -3.184
    9    HA   GLU   3           HA       GLU   3  -1.997  -4.636  -4.442
   10   1HB   GLU   3          1HB       GLU   3  -1.095  -5.116  -1.980
   11   2HB   GLU   3          2HB       GLU   3  -1.846  -3.574  -1.620
   12   1HG   GLU   3          1HG       GLU   3  -4.013  -4.391  -2.528
   13   2HG   GLU   3          2HG       GLU   3  -3.273  -5.919  -2.961
   14    H    THR   4           H        THR   4  -4.036  -3.271  -4.100
   15    HA   THR   4           HA       THR   4  -3.352  -0.412  -4.328
   16    HB   THR   4           HB       THR   4  -5.276  -0.331  -5.962
   17    HG1  THR   4           1HG      THR   4  -6.317  -2.275  -5.063
   18   1HG2  THR   4          1HG2      THR   4  -4.187  -2.179  -7.614
   19   2HG2  THR   4          2HG2      THR   4  -3.375  -0.627  -7.295
   20   3HG2  THR   4          3HG2      THR   4  -2.870  -2.093  -6.420
   21    H    CYS   5           H        CYS   5  -4.387   1.001  -3.028
   22    HA   CYS   5           HA       CYS   5  -6.345  -0.196  -1.227
   23   1HB   CYS   5          1HB       CYS   5  -5.801   1.454   0.353
   24   2HB   CYS   5          2HB       CYS   5  -4.280   0.871  -0.293
   25    H    VAL   6           H        VAL   6  -7.437   0.159  -3.688
   26    HA   VAL   6           HA       VAL   6  -8.316   2.719  -4.330
   27    HB   VAL   6           HB       VAL   6  -9.234  -0.075  -4.920
   28   1HG1  VAL   6          1HG1      VAL   6 -10.611   2.476  -5.823
   29   2HG1  VAL   6          2HG1      VAL   6 -10.891   0.863  -6.523
   30   3HG1  VAL   6          3HG1      VAL   6 -11.305   1.180  -4.821
   31   1HG2  VAL   6          1HG2      VAL   6  -7.839   2.144  -6.401
   32   2HG2  VAL   6          2HG2      VAL   6  -7.369   0.438  -6.209
   33   3HG2  VAL   6          3HG2      VAL   6  -8.709   0.875  -7.296
   34    H    GLY   7           H        GLY   7  -9.270   0.469  -1.806
   35   1HA   GLY   7          1HA       GLY   7 -11.853   1.716  -1.376
   36   2HA   GLY   7          2HA       GLY   7 -11.120   0.418  -0.456
   37    H    GLY   8           H        GLY   8  -8.491   1.866  -0.133
   38   1HA   GLY   8          1HA       GLY   8  -7.949   4.024   0.839
   39   2HA   GLY   8          2HA       GLY   8  -9.400   3.902   1.813
   40    H    THR   9           H        THR   9  -7.721   0.883   1.290
   41    HA   THR   9           HA       THR   9  -6.049   1.169   3.637
   42    HB   THR   9           HB       THR   9  -8.151  -1.028   3.639
   43    HG1  THR   9           1HG      THR   9  -9.379   0.584   4.940
   44   1HG2  THR   9          1HG2      THR   9  -7.023   0.549   5.985
   45   2HG2  THR   9          2HG2      THR   9  -7.743  -1.079   5.988
   46   3HG2  THR   9          3HG2      THR   9  -6.117  -0.825   5.308
   47    H    CYS  10           H        CYS  10  -4.611  -0.692   3.953
   48    HA   CYS  10           HA       CYS  10  -4.296  -2.137   1.422
   49   1HB   CYS  10          1HB       CYS  10  -2.165  -1.101   3.300
   50   2HB   CYS  10          2HB       CYS  10  -1.856  -2.202   1.972
   51    H    ASN  11           H        ASN  11  -3.765  -4.395   1.606
   52    HA   ASN  11           HA       ASN  11  -4.557  -5.489   4.137
   53   1HB   ASN  11          1HB       ASN  11  -4.035  -6.623   1.360
   54   2HB   ASN  11          2HB       ASN  11  -4.177  -7.706   2.731
   55   1HD2  ASN  11          1HD2      ASN  11  -5.864  -7.201   0.327
   56   2HD2  ASN  11          2HD2      ASN  11  -7.470  -6.916   0.911
   57    H    THR  12           H        THR  12  -1.814  -5.719   1.750
   58    HA   THR  12           HA       THR  12  -0.156  -7.409   3.142
   59    HB   THR  12           HB       THR  12   0.416  -5.021   1.313
   60    HG1  THR  12           1HG      THR  12   0.254  -7.946   1.086
   61   1HG2  THR  12          1HG2      THR  12   2.417  -6.010   2.756
   62   2HG2  THR  12          2HG2      THR  12   2.230  -7.428   1.696
   63   3HG2  THR  12          3HG2      THR  12   2.620  -5.838   0.996
   64    HA   PRO  13           HA       PRO  13   0.772  -5.489   6.703
   65   1HB   PRO  13          1HB       PRO  13   3.049  -6.800   7.500
   66   2HB   PRO  13          2HB       PRO  13   1.398  -7.501   7.613
   67   1HG   PRO  13          1HG       PRO  13   3.549  -7.967   5.548
   68   2HG   PRO  13          2HG       PRO  13   2.285  -9.087   6.159
   69   1HD   PRO  13          1HD       PRO  13   2.157  -7.756   3.707
   70   2HD   PRO  13          2HD       PRO  13   0.723  -8.359   4.606
   71    H    GLY  14           H        GLY  14   1.510  -3.573   7.472
   72   1HA   GLY  14          1HA       GLY  14   2.948  -1.847   7.733
   73   2HA   GLY  14          2HA       GLY  14   4.214  -2.791   6.975
   74    H    CYS  15           H        CYS  15   1.284  -2.690   5.115
   75    HA   CYS  15           HA       CYS  15   2.602  -0.885   3.257
   76   1HB   CYS  15          1HB       CYS  15   0.344  -2.863   2.967
   77   2HB   CYS  15          2HB       CYS  15   0.711  -1.680   1.727
   78    H    THR  16           H        THR  16   1.887   1.218   3.024
   79    HA   THR  16           HA       THR  16  -0.509   1.969   4.521
   80    HB   THR  16           HB       THR  16   0.464   4.203   4.437
   81    HG1  THR  16           1HG      THR  16   2.497   3.006   2.714
   82   1HG2  THR  16          1HG2      THR  16   2.072   3.602   5.944
   83   2HG2  THR  16          2HG2      THR  16   2.073   1.940   5.307
   84   3HG2  THR  16          3HG2      THR  16   3.138   3.171   4.585
   85    H    CYS  17           H        CYS  17  -2.064   3.496   3.573
   86    HA   CYS  17           HA       CYS  17  -2.743   2.576   0.945
   87   1HB   CYS  17          1HB       CYS  17  -4.481   2.770   2.609
   88   2HB   CYS  17          2HB       CYS  17  -4.119   4.466   2.861
   89    H    SER  18           H        SER  18  -1.179   3.468  -0.493
   90    HA   SER  18           HA       SER  18  -1.053   6.366  -0.519
   91   1HB   SER  18          1HB       SER  18   1.136   5.563  -0.711
   92   2HB   SER  18          2HB       SER  18   0.657   4.152  -1.633
   93    HG   SER  18           HG       SER  18   0.345   5.464  -3.492
   94    H    TRP  19           H        TRP  19  -3.459   6.200  -1.223
   95    HA   TRP  19           HA       TRP  19  -4.484   4.877  -3.281
   96   1HB   TRP  19          1HB       TRP  19  -5.280   6.988  -1.745
   97   2HB   TRP  19          2HB       TRP  19  -5.218   7.730  -3.332
   98    HD1  TRP  19           HD       TRP  19  -7.127   4.984  -1.412
   99    HE1  TRP  19           1HE      TRP  19  -9.352   4.314  -2.663
  100    HE3  TRP  19           3HE      TRP  19  -6.198   7.689  -5.616
  101    HZ2  TRP  19           2HZ      TRP  19 -10.449   4.976  -5.213
  102    HZ3  TRP  19           3HZ      TRP  19  -7.897   7.622  -7.439
  103    HH2  TRP  19           HH       TRP  19  -9.964   6.326  -7.287
  104    HA   PRO  20           HA       PRO  20  -5.566   4.877  -4.840
  105   1HB   PRO  20          1HB       PRO  20  -5.636   3.600  -7.255
  106   2HB   PRO  20          2HB       PRO  20  -6.478   5.104  -6.942
  107   1HG   PRO  20          1HG       PRO  20  -3.994   4.656  -8.481
  108   2HG   PRO  20          2HG       PRO  20  -5.067   6.041  -8.508
  109   1HD   PRO  20          1HD       PRO  20  -2.521   5.867  -7.198
  110   2HD   PRO  20          2HD       PRO  20  -3.646   7.209  -7.129
  111    H    VAL  21           H        VAL  21  -2.340   4.195  -5.354
  112    HA   VAL  21           HA       VAL  21  -2.795   1.320  -5.112
  113    HB   VAL  21           HB       VAL  21  -0.515   1.090  -5.840
  114   1HG1  VAL  21          1HG1      VAL  21  -0.726   2.607  -8.023
  115   2HG1  VAL  21          2HG1      VAL  21  -1.767   1.189  -7.754
  116   3HG1  VAL  21          3HG1      VAL  21  -2.381   2.823  -7.405
  117   1HG2  VAL  21          1HG2      VAL  21   0.665   2.842  -4.797
  118   2HG2  VAL  21          2HG2      VAL  21   0.748   3.216  -6.535
  119   3HG2  VAL  21          3HG2      VAL  21  -0.397   4.091  -5.489
  120    H    CYS  22           H        CYS  22  -0.737   0.309  -3.785
  121    HA   CYS  22           HA       CYS  22  -0.985   1.582  -1.173
  122   1HB   CYS  22          1HB       CYS  22  -0.417  -1.240  -2.048
  123   2HB   CYS  22          2HB       CYS  22  -0.020  -0.699  -0.429
  124    H    THR  23           H        THR  23   1.115   1.260   0.238
  125    HA   THR  23           HA       THR  23   3.555   1.289  -1.338
  126    HB   THR  23           HB       THR  23   4.040   3.538   0.067
  127    HG1  THR  23           1HG      THR  23   2.096   4.061   0.999
  128   1HG2  THR  23          1HG2      THR  23   4.075   3.557  -2.400
  129   2HG2  THR  23          2HG2      THR  23   2.302   3.407  -2.453
  130   3HG2  THR  23          3HG2      THR  23   3.051   4.899  -1.834
  131    H    ARG  24           H        ARG  24   5.518   1.484   0.171
  132    HA   ARG  24           HA       ARG  24   4.860   0.444   2.785
  133   1HB   ARG  24          1HB       ARG  24   5.259  -1.628   1.682
  134   2HB   ARG  24          2HB       ARG  24   6.512  -0.955   0.658
  135   1HG   ARG  24          1HG       ARG  24   8.129  -0.965   2.397
  136   2HG   ARG  24          2HG       ARG  24   6.917  -1.013   3.661
  137   1HD   ARG  24          1HD       ARG  24   6.924  -3.287   3.673
  138   2HD   ARG  24          2HD       ARG  24   6.606  -3.350   1.951
  139    HE   ARG  24           HE       ARG  24   9.273  -2.692   2.010
  140   1HH1  ARG  24          2HH2      ARG  24   7.413  -5.211   3.615
  141   2HH1  ARG  24          1HH2      ARG  24   8.737  -6.324   3.682
  142   1HH2  ARG  24          2HH1      ARG  24  11.021  -4.160   2.098
  143   2HH2  ARG  24          1HH1      ARG  24  10.804  -5.723   2.813
  144    H    ASN  25           H        ASN  25   6.007   1.639   4.275
  145    HA   ASN  25           HA       ASN  25   7.513   2.913   5.171
  146   1HB   ASN  25          1HB       ASN  25   9.013   0.913   4.591
  147   2HB   ASN  25          2HB       ASN  25   9.509   1.773   3.147
  148   1HD2  ASN  25          1HD2      ASN  25   9.763   1.489   6.567
  149   2HD2  ASN  25          2HD2      ASN  25  10.990   2.678   6.848
  150    H    GLY  26           H        GLY  26   6.044   3.700   2.586
  151   1HA   GLY  26          1HA       GLY  26   5.889   5.705   1.510
  152   2HA   GLY  26          2HA       GLY  26   7.461   6.176   2.125
  153    H    LEU  27           H        LEU  27   7.121   3.005   0.595
  154    HA   LEU  27           HA       LEU  27   8.046   4.052  -1.953
  155   1HB   LEU  27          1HB       LEU  27   9.607   1.925  -0.493
  156   2HB   LEU  27          2HB       LEU  27   9.989   2.667  -2.034
  157    HG   LEU  27           HG       LEU  27   9.866   4.276   0.520
  158   1HD1  LEU  27          1HD1      LEU  27  12.067   2.515  -0.504
  159   2HD1  LEU  27          2HD1      LEU  27  12.464   4.032   0.339
  160   3HD1  LEU  27          3HD1      LEU  27  11.499   2.783   1.161
  161   1HD2  LEU  27          1HD2      LEU  27  10.323   4.889  -2.247
  162   2HD2  LEU  27          2HD2      LEU  27  10.238   5.982  -0.845
  163   3HD2  LEU  27          3HD2      LEU  27  11.792   5.248  -1.307
  164    HA   PRO  28           HA       PRO  28   5.086   1.236  -2.982
  165   1HB   PRO  28          1HB       PRO  28   5.257   1.306  -5.721
  166   2HB   PRO  28          2HB       PRO  28   4.440   2.567  -4.737
  167   1HG   PRO  28          1HG       PRO  28   7.192   2.574  -5.975
  168   2HG   PRO  28          2HG       PRO  28   6.068   3.941  -5.674
  169   1HD   PRO  28          1HD       PRO  28   8.296   3.357  -4.093
  170   2HD   PRO  28          2HD       PRO  28   6.859   4.270  -3.518
  171    H    VAL  29           H        VAL  29   6.079  -0.601  -1.930
  172    HA   VAL  29           HA       VAL  29   7.051  -2.452  -3.989
  173    HB   VAL  29           HB       VAL  29   8.604  -3.367  -2.309
  174   1HG1  VAL  29          1HG1      VAL  29   9.577  -1.904  -3.900
  175   2HG1  VAL  29          2HG1      VAL  29   8.896  -0.462  -3.110
  176   3HG1  VAL  29          3HG1      VAL  29  10.201  -1.377  -2.319
  177   1HG2  VAL  29          1HG2      VAL  29   7.318  -2.499  -0.316
  178   2HG2  VAL  29          2HG2      VAL  29   9.080  -2.259  -0.245
  179   3HG2  VAL  29          3HG2      VAL  29   8.012  -0.895  -0.656
  Start of MODEL   10
    1    H    CYS   1           H        CYS   1   4.359  -1.888  -2.988
    2    HA   CYS   1           HA       CYS   1   4.053  -4.239  -1.294
    3   1HB   CYS   1          1HB       CYS   1   2.258  -1.885  -1.876
    4   2HB   CYS   1          2HB       CYS   1   1.675  -3.331  -1.076
    5    H    GLY   2           H        GLY   2   2.632  -2.598  -4.217
    6   1HA   GLY   2          1HA       GLY   2   2.204  -3.649  -6.241
    7   2HA   GLY   2          2HA       GLY   2   2.278  -5.219  -5.467
    8    H    GLU   3           H        GLU   3   0.529  -3.818  -3.190
    9    HA   GLU   3           HA       GLU   3  -1.929  -4.660  -4.408
   10   1HB   GLU   3          1HB       GLU   3  -0.993  -5.113  -1.952
   11   2HB   GLU   3          2HB       GLU   3  -1.750  -3.572  -1.598
   12   1HG   GLU   3          1HG       GLU   3  -3.922  -4.409  -2.462
   13   2HG   GLU   3          2HG       GLU   3  -3.180  -5.932  -2.910
   14    H    THR   4           H        THR   4  -3.970  -3.293  -4.026
   15    HA   THR   4           HA       THR   4  -3.295  -0.435  -4.290
   16    HB   THR   4           HB       THR   4  -5.205  -0.355  -5.922
   17    HG1  THR   4           1HG      THR   4  -5.001  -3.264  -5.668
   18   1HG2  THR   4          1HG2      THR   4  -4.175  -2.247  -7.555
   19   2HG2  THR   4          2HG2      THR   4  -3.313  -0.720  -7.254
   20   3HG2  THR   4          3HG2      THR   4  -2.851  -2.192  -6.366
   21    H    CYS   5           H        CYS   5  -4.341   0.989  -3.006
   22    HA   CYS   5           HA       CYS   5  -6.270  -0.209  -1.174
   23   1HB   CYS   5          1HB       CYS   5  -5.721   1.448   0.390
   24   2HB   CYS   5          2HB       CYS   5  -4.199   0.894  -0.279
   25    H    VAL   6           H        VAL   6  -7.353   0.133  -3.659
   26    HA   VAL   6           HA       VAL   6  -8.276   2.680  -4.288
   27    HB   VAL   6           HB       VAL   6  -9.185  -0.121  -4.885
   28   1HG1  VAL   6          1HG1      VAL   6 -11.217   1.267  -4.811
   29   2HG1  VAL   6          2HG1      VAL   6 -10.470   2.420  -5.943
   30   3HG1  VAL   6          3HG1      VAL   6 -10.829   0.759  -6.472
   31   1HG2  VAL   6          1HG2      VAL   6  -7.754   2.075  -6.378
   32   2HG2  VAL   6          2HG2      VAL   6  -7.255   0.389  -6.103
   33   3HG2  VAL   6          3HG2      VAL   6  -8.570   0.753  -7.246
   34    H    GLY   7           H        GLY   7  -9.190   0.411  -1.771
   35   1HA   GLY   7          1HA       GLY   7 -11.810   1.567  -1.352
   36   2HA   GLY   7          2HA       GLY   7 -11.017   0.325  -0.402
   37    H    GLY   8           H        GLY   8  -8.446   1.909  -0.128
   38   1HA   GLY   8          1HA       GLY   8  -8.050   4.139   0.786
   39   2HA   GLY   8          2HA       GLY   8  -9.460   3.913   1.800
   40    H    THR   9           H        THR   9  -7.740   0.957   1.350
   41    HA   THR   9           HA       THR   9  -5.904   1.398   3.546
   42    HB   THR   9           HB       THR   9  -7.775   0.883   4.918
   43    HG1  THR   9           1HG      THR   9  -6.814  -1.730   4.012
   44   1HG2  THR   9          1HG2      THR   9  -9.669   0.093   3.895
   45   2HG2  THR   9          2HG2      THR   9  -8.740  -0.494   2.495
   46   3HG2  THR   9          3HG2      THR   9  -8.906  -1.514   3.944
   47    H    CYS  10           H        CYS  10  -4.618  -0.664   3.993
   48    HA   CYS  10           HA       CYS  10  -4.349  -2.109   1.458
   49   1HB   CYS  10          1HB       CYS  10  -2.164  -1.165   3.323
   50   2HB   CYS  10          2HB       CYS  10  -1.914  -2.282   1.996
   51    H    ASN  11           H        ASN  11  -3.859  -4.388   1.668
   52    HA   ASN  11           HA       ASN  11  -4.705  -5.419   4.217
   53   1HB   ASN  11          1HB       ASN  11  -5.748  -6.419   2.246
   54   2HB   ASN  11          2HB       ASN  11  -4.194  -6.691   1.484
   55   1HD2  ASN  11          1HD2      ASN  11  -4.658  -8.877   1.248
   56   2HD2  ASN  11          2HD2      ASN  11  -4.567 -10.005   2.560
   57    H    THR  12           H        THR  12  -1.952  -5.553   1.866
   58    HA   THR  12           HA       THR  12  -0.369  -7.398   3.232
   59    HB   THR  12           HB       THR  12   0.246  -5.079   1.333
   60    HG1  THR  12           1HG      THR  12  -0.785  -6.706   0.191
   61   1HG2  THR  12          1HG2      THR  12   2.023  -7.502   1.789
   62   2HG2  THR  12          2HG2      THR  12   2.432  -5.952   1.016
   63   3HG2  THR  12          3HG2      THR  12   2.248  -6.043   2.784
   64    HA   PRO  13           HA       PRO  13   0.693  -5.449   6.739
   65   1HB   PRO  13          1HB       PRO  13   2.937  -6.825   7.521
   66   2HB   PRO  13          2HB       PRO  13   1.266  -7.465   7.675
   67   1HG   PRO  13          1HG       PRO  13   3.362  -8.042   5.583
   68   2HG   PRO  13          2HG       PRO  13   2.072  -9.107   6.236
   69   1HD   PRO  13          1HD       PRO  13   1.946  -7.816   3.762
   70   2HD   PRO  13          2HD       PRO  13   0.509  -8.353   4.696
   71    H    GLY  14           H        GLY  14   1.509  -3.546   7.459
   72   1HA   GLY  14          1HA       GLY  14   3.035  -1.886   7.684
   73   2HA   GLY  14          2HA       GLY  14   4.231  -2.870   6.865
   74    H    CYS  15           H        CYS  15   1.352  -2.816   5.021
   75    HA   CYS  15           HA       CYS  15   2.599  -0.964   3.176
   76   1HB   CYS  15          1HB       CYS  15   0.327  -2.932   2.921
   77   2HB   CYS  15          2HB       CYS  15   0.687  -1.752   1.676
   78    H    THR  16           H        THR  16   1.881   1.140   2.960
   79    HA   THR  16           HA       THR  16  -0.495   1.884   4.495
   80    HB   THR  16           HB       THR  16   0.483   4.121   4.416
   81    HG1  THR  16           1HG      THR  16   2.527   2.921   2.711
   82   1HG2  THR  16          1HG2      THR  16   2.053   3.479   5.947
   83   2HG2  THR  16          2HG2      THR  16   2.092   1.837   5.263
   84   3HG2  THR  16          3HG2      THR  16   3.147   3.104   4.595
   85    H    CYS  17           H        CYS  17  -2.083   3.372   3.587
   86    HA   CYS  17           HA       CYS  17  -2.765   2.506   0.947
   87   1HB   CYS  17          1HB       CYS  17  -4.500   2.663   2.607
   88   2HB   CYS  17          2HB       CYS  17  -4.133   4.349   2.914
   89    H    SER  18           H        SER  18  -1.188   3.426  -0.469
   90    HA   SER  18           HA       SER  18  -1.093   6.325  -0.467
   91   1HB   SER  18          1HB       SER  18   1.103   5.526  -0.650
   92   2HB   SER  18          2HB       SER  18   0.637   4.141  -1.617
   93    HG   SER  18           HG       SER  18   0.226   5.600  -3.412
   94    H    TRP  19           H        TRP  19  -3.495   6.141  -1.181
   95    HA   TRP  19           HA       TRP  19  -4.504   4.833  -3.253
   96   1HB   TRP  19          1HB       TRP  19  -5.324   6.918  -1.706
   97   2HB   TRP  19          2HB       TRP  19  -5.242   7.688  -3.277
   98    HD1  TRP  19           HD       TRP  19  -7.185   4.925  -1.425
   99    HE1  TRP  19           1HE      TRP  19  -9.389   4.270  -2.720
  100    HE3  TRP  19           3HE      TRP  19  -6.177   7.666  -5.587
  101    HZ2  TRP  19           2HZ      TRP  19 -10.440   4.958  -5.283
  102    HZ3  TRP  19           3HZ      TRP  19  -7.844   7.619  -7.440
  103    HH2  TRP  19           HH       TRP  19  -9.916   6.326  -7.336
  104    HA   PRO  20           HA       PRO  20  -5.580   4.838  -4.817
  105   1HB   PRO  20          1HB       PRO  20  -5.635   3.575  -7.240
  106   2HB   PRO  20          2HB       PRO  20  -6.484   5.075  -6.922
  107   1HG   PRO  20          1HG       PRO  20  -3.992   4.645  -8.452
  108   2HG   PRO  20          2HG       PRO  20  -5.070   6.026  -8.476
  109   1HD   PRO  20          1HD       PRO  20  -2.529   5.854  -7.156
  110   2HD   PRO  20          2HD       PRO  20  -3.659   7.192  -7.084
  111    H    VAL  21           H        VAL  21  -2.349   4.173  -5.319
  112    HA   VAL  21           HA       VAL  21  -2.799   1.294  -5.088
  113    HB   VAL  21           HB       VAL  21  -1.381   2.368  -6.911
  114   1HG1  VAL  21          1HG1      VAL  21   0.648   2.606  -4.666
  115   2HG1  VAL  21          2HG1      VAL  21   0.882   3.011  -6.383
  116   3HG1  VAL  21          3HG1      VAL  21  -0.228   3.980  -5.384
  117   1HG2  VAL  21          1HG2      VAL  21  -1.229  -0.073  -5.636
  118   2HG2  VAL  21          2HG2      VAL  21  -0.400   0.361  -7.150
  119   3HG2  VAL  21          3HG2      VAL  21   0.458   0.492  -5.596
  120    H    CYS  22           H        CYS  22  -0.730   0.284  -3.778
  121    HA   CYS  22           HA       CYS  22  -0.955   1.558  -1.164
  122   1HB   CYS  22          1HB       CYS  22  -0.388  -1.264  -2.043
  123   2HB   CYS  22          2HB       CYS  22   0.017  -0.721  -0.427
  124    H    THR  23           H        THR  23   1.166   1.208   0.226
  125    HA   THR  23           HA       THR  23   3.590   1.242  -1.368
  126    HB   THR  23           HB       THR  23   4.089   3.501   0.012
  127    HG1  THR  23           1HG      THR  23   2.174   4.266   0.815
  128   1HG2  THR  23          1HG2      THR  23   2.280   3.419  -2.461
  129   2HG2  THR  23          2HG2      THR  23   3.169   4.851  -1.889
  130   3HG2  THR  23          3HG2      THR  23   4.060   3.429  -2.483
  131    H    ARG  24           H        ARG  24   5.564   1.432   0.118
  132    HA   ARG  24           HA       ARG  24   4.908   0.364   2.729
  133   1HB   ARG  24          1HB       ARG  24   5.408  -1.656   1.543
  134   2HB   ARG  24          2HB       ARG  24   6.698  -0.906   0.624
  135   1HG   ARG  24          1HG       ARG  24   8.211  -0.948   2.445
  136   2HG   ARG  24          2HG       ARG  24   6.932  -1.046   3.639
  137   1HD   ARG  24          1HD       ARG  24   6.776  -3.337   3.481
  138   2HD   ARG  24          2HD       ARG  24   6.962  -3.333   1.738
  139    HE   ARG  24           HE       ARG  24   9.285  -3.583   1.993
  140   1HH1  ARG  24          2HH2      ARG  24   7.848  -2.689   5.078
  141   2HH1  ARG  24          1HH2      ARG  24   9.298  -2.972   5.981
  142   1HH2  ARG  24          2HH1      ARG  24  11.199  -3.956   3.184
  143   2HH2  ARG  24          1HH1      ARG  24  11.218  -3.697   4.897
  144    H    ASN  25           H        ASN  25   5.986   1.566   4.266
  145    HA   ASN  25           HA       ASN  25   7.409   2.906   5.202
  146   1HB   ASN  25          1HB       ASN  25   8.980   0.929   4.545
  147   2HB   ASN  25          2HB       ASN  25   9.550   1.952   3.242
  148   1HD2  ASN  25          1HD2      ASN  25  11.556   2.398   3.872
  149   2HD2  ASN  25          2HD2      ASN  25  12.008   3.216   5.330
  150    H    GLY  26           H        GLY  26   5.981   3.661   2.586
  151   1HA   GLY  26          1HA       GLY  26   5.784   5.664   1.514
  152   2HA   GLY  26          2HA       GLY  26   7.319   6.188   2.178
  153    H    LEU  27           H        LEU  27   6.976   3.044   0.529
  154    HA   LEU  27           HA       LEU  27   8.014   4.145  -1.942
  155   1HB   LEU  27          1HB       LEU  27   9.555   2.039  -0.423
  156   2HB   LEU  27          2HB       LEU  27   9.957   2.718  -1.988
  157    HG   LEU  27           HG       LEU  27   9.839   4.358   0.555
  158   1HD1  LEU  27          1HD1      LEU  27  12.069   4.001   0.981
  159   2HD1  LEU  27          2HD1      LEU  27  11.571   2.393   0.402
  160   3HD1  LEU  27          3HD1      LEU  27  12.428   3.507  -0.691
  161   1HD2  LEU  27          1HD2      LEU  27   9.613   5.450  -1.760
  162   2HD2  LEU  27          2HD2      LEU  27  10.838   6.098  -0.643
  163   3HD2  LEU  27          3HD2      LEU  27  11.328   5.028  -1.979
  164    HA   PRO  28           HA       PRO  28   5.123   1.321  -3.126
  165   1HB   PRO  28          1HB       PRO  28   5.394   1.435  -5.855
  166   2HB   PRO  28          2HB       PRO  28   4.532   2.674  -4.882
  167   1HG   PRO  28          1HG       PRO  28   7.327   2.720  -6.018
  168   2HG   PRO  28          2HG       PRO  28   6.183   4.075  -5.738
  169   1HD   PRO  28          1HD       PRO  28   8.355   3.482  -4.086
  170   2HD   PRO  28          2HD       PRO  28   6.892   4.375  -3.549
  171    H    VAL  29           H        VAL  29   6.039  -0.544  -2.082
  172    HA   VAL  29           HA       VAL  29   7.046  -2.376  -4.132
  173    HB   VAL  29           HB       VAL  29   8.694  -3.241  -2.563
  174   1HG1  VAL  29          1HG1      VAL  29  10.103  -1.836  -3.565
  175   2HG1  VAL  29          2HG1      VAL  29   8.777  -0.684  -3.855
  176   3HG1  VAL  29          3HG1      VAL  29   9.722  -0.594  -2.349
  177   1HG2  VAL  29          1HG2      VAL  29   9.103  -2.397  -0.424
  178   2HG2  VAL  29          2HG2      VAL  29   8.218  -0.885  -0.741
  179   3HG2  VAL  29          3HG2      VAL  29   7.326  -2.410  -0.520
  Start of MODEL   11
    1    H    CYS   1           H        CYS   1   4.361  -1.789  -3.043
    2    HA   CYS   1           HA       CYS   1   4.136  -4.142  -1.339
    3   1HB   CYS   1          1HB       CYS   1   2.424  -1.725  -1.800
    4   2HB   CYS   1          2HB       CYS   1   1.688  -3.202  -1.209
    5    H    GLY   2           H        GLY   2   2.702  -2.539  -4.271
    6   1HA   GLY   2          1HA       GLY   2   2.234  -3.617  -6.268
    7   2HA   GLY   2          2HA       GLY   2   2.299  -5.175  -5.468
    8    H    GLU   3           H        GLU   3   0.584  -3.872  -3.174
    9    HA   GLU   3           HA       GLU   3  -1.891  -4.639  -4.385
   10   1HB   GLU   3          1HB       GLU   3  -0.939  -5.124  -1.942
   11   2HB   GLU   3          2HB       GLU   3  -1.674  -3.578  -1.567
   12   1HG   GLU   3          1HG       GLU   3  -3.865  -4.382  -2.413
   13   2HG   GLU   3          2HG       GLU   3  -3.146  -5.907  -2.888
   14    H    THR   4           H        THR   4  -3.916  -3.261  -3.987
   15    HA   THR   4           HA       THR   4  -3.233  -0.401  -4.165
   16    HB   THR   4           HB       THR   4  -5.090  -0.273  -5.867
   17    HG1  THR   4           1HG      THR   4  -4.828  -3.186  -5.703
   18   1HG2  THR   4          1HG2      THR   4  -3.930  -2.116  -7.506
   19   2HG2  THR   4          2HG2      THR   4  -3.177  -0.538  -7.172
   20   3HG2  THR   4          3HG2      THR   4  -2.650  -1.984  -6.277
   21    H    CYS   5           H        CYS   5  -4.336   0.973  -2.875
   22    HA   CYS   5           HA       CYS   5  -6.314  -0.293  -1.150
   23   1HB   CYS   5          1HB       CYS   5  -5.889   1.407   0.435
   24   2HB   CYS   5          2HB       CYS   5  -4.338   0.820  -0.129
   25    H    VAL   6           H        VAL   6  -7.447  -0.024  -3.552
   26    HA   VAL   6           HA       VAL   6  -8.355   2.498  -4.296
   27    HB   VAL   6           HB       VAL   6  -9.271  -0.326  -4.747
   28   1HG1  VAL   6          1HG1      VAL   6 -11.373   0.570  -4.941
   29   2HG1  VAL   6          2HG1      VAL   6 -10.768   2.193  -5.351
   30   3HG1  VAL   6          3HG1      VAL   6 -10.761   0.904  -6.579
   31   1HG2  VAL   6          1HG2      VAL   6  -7.853   1.806  -6.325
   32   2HG2  VAL   6          2HG2      VAL   6  -7.418   0.099  -6.073
   33   3HG2  VAL   6          3HG2      VAL   6  -8.752   0.524  -7.171
   34    H    GLY   7           H        GLY   7  -9.280   0.335  -1.680
   35   1HA   GLY   7          1HA       GLY   7 -11.866   1.569  -1.272
   36   2HA   GLY   7          2HA       GLY   7 -11.096   0.336  -0.293
   37    H    GLY   8           H        GLY   8  -8.486   1.914  -0.147
   38   1HA   GLY   8          1HA       GLY   8  -8.001   4.135   0.720
   39   2HA   GLY   8          2HA       GLY   8  -9.425   4.000   1.731
   40    H    THR   9           H        THR   9  -7.726   0.995   1.328
   41    HA   THR   9           HA       THR   9  -5.960   1.433   3.581
   42    HB   THR   9           HB       THR   9  -8.243  -0.605   3.713
   43    HG1  THR   9           1HG      THR   9  -9.256   1.291   4.283
   44   1HG2  THR   9          1HG2      THR   9  -7.589  -0.706   6.119
   45   2HG2  THR   9          2HG2      THR   9  -6.229  -1.202   5.083
   46   3HG2  THR   9          3HG2      THR   9  -6.252   0.425   5.803
   47    H    CYS  10           H        CYS  10  -4.626  -0.558   4.035
   48    HA   CYS  10           HA       CYS  10  -4.315  -2.043   1.526
   49   1HB   CYS  10          1HB       CYS  10  -2.177  -1.024   3.405
   50   2HB   CYS  10          2HB       CYS  10  -1.881  -2.180   2.122
   51    H    ASN  11           H        ASN  11  -3.988  -4.311   1.749
   52    HA   ASN  11           HA       ASN  11  -4.749  -5.309   4.329
   53   1HB   ASN  11          1HB       ASN  11  -5.817  -6.252   2.297
   54   2HB   ASN  11          2HB       ASN  11  -4.253  -6.690   1.640
   55   1HD2  ASN  11          1HD2      ASN  11  -4.368  -8.832   1.563
   56   2HD2  ASN  11          2HD2      ASN  11  -4.619  -9.890   2.911
   57    H    THR  12           H        THR  12  -2.061  -5.534   1.907
   58    HA   THR  12           HA       THR  12  -0.475  -7.389   3.239
   59    HB   THR  12           HB       THR  12   0.141  -5.067   1.344
   60    HG1  THR  12           1HG      THR  12   0.217  -7.029  -0.073
   61   1HG2  THR  12          1HG2      THR  12   2.308  -5.960   0.987
   62   2HG2  THR  12          2HG2      THR  12   2.151  -6.084   2.755
   63   3HG2  THR  12          3HG2      THR  12   1.888  -7.519   1.736
   64    HA   PRO  13           HA       PRO  13   0.688  -5.483   6.737
   65   1HB   PRO  13          1HB       PRO  13   2.929  -6.894   7.461
   66   2HB   PRO  13          2HB       PRO  13   1.253  -7.514   7.645
   67   1HG   PRO  13          1HG       PRO  13   3.298  -8.101   5.505
   68   2HG   PRO  13          2HG       PRO  13   2.007  -9.154   6.176
   69   1HD   PRO  13          1HD       PRO  13   1.848  -7.842   3.716
   70   2HD   PRO  13          2HD       PRO  13   0.423  -8.367   4.676
   71    H    GLY  14           H        GLY  14   1.517  -3.576   7.418
   72   1HA   GLY  14          1HA       GLY  14   3.046  -1.919   7.611
   73   2HA   GLY  14          2HA       GLY  14   4.244  -2.934   6.833
   74    H    CYS  15           H        CYS  15   1.238  -2.692   5.089
   75    HA   CYS  15           HA       CYS  15   2.588  -1.015   3.137
   76   1HB   CYS  15          1HB       CYS  15   0.227  -2.879   2.996
   77   2HB   CYS  15          2HB       CYS  15   0.550  -1.715   1.726
   78    H    THR  16           H        THR  16   1.933   1.101   2.775
   79    HA   THR  16           HA       THR  16  -0.299   2.056   4.411
   80    HB   THR  16           HB       THR  16   0.787   4.303   3.805
   81    HG1  THR  16           1HG      THR  16   2.712   4.108   2.578
   82   1HG2  THR  16          1HG2      THR  16   1.523   2.649   5.811
   83   2HG2  THR  16          2HG2      THR  16   3.005   2.532   4.832
   84   3HG2  THR  16          3HG2      THR  16   2.460   4.115   5.435
   85    H    CYS  17           H        CYS  17  -1.931   3.461   3.543
   86    HA   CYS  17           HA       CYS  17  -2.713   2.567   0.933
   87   1HB   CYS  17          1HB       CYS  17  -4.369   2.680   2.691
   88   2HB   CYS  17          2HB       CYS  17  -4.050   4.384   2.945
   89    H    SER  18           H        SER  18  -1.272   3.532  -0.575
   90    HA   SER  18           HA       SER  18  -1.300   6.442  -0.563
   91   1HB   SER  18          1HB       SER  18   0.679   6.380  -1.905
   92   2HB   SER  18          2HB       SER  18   0.917   5.177  -0.653
   93    HG   SER  18           HG       SER  18   0.275   3.523  -2.180
   94    H    TRP  19           H        TRP  19  -3.674   6.110  -1.291
   95    HA   TRP  19           HA       TRP  19  -4.600   4.721  -3.345
   96   1HB   TRP  19          1HB       TRP  19  -5.607   6.674  -1.831
   97   2HB   TRP  19          2HB       TRP  19  -5.412   7.584  -3.316
   98    HD1  TRP  19           HD       TRP  19  -7.531   4.771  -1.817
   99    HE1  TRP  19           1HE      TRP  19  -9.575   4.158  -3.370
  100    HE3  TRP  19           3HE      TRP  19  -6.031   7.575  -5.784
  101    HZ2  TRP  19           2HZ      TRP  19 -10.317   4.898  -6.024
  102    HZ3  TRP  19           3HZ      TRP  19  -7.472   7.575  -7.818
  103    HH2  TRP  19           HH       TRP  19  -9.550   6.297  -7.977
  104    HA   PRO  20           HA       PRO  20  -5.639   4.611  -4.913
  105   1HB   PRO  20          1HB       PRO  20  -5.589   3.287  -7.303
  106   2HB   PRO  20          2HB       PRO  20  -6.534   4.738  -7.031
  107   1HG   PRO  20          1HG       PRO  20  -4.003   4.429  -8.528
  108   2HG   PRO  20          2HG       PRO  20  -5.166   5.738  -8.595
  109   1HD   PRO  20          1HD       PRO  20  -2.633   5.759  -7.249
  110   2HD   PRO  20          2HD       PRO  20  -3.846   7.024  -7.221
  111    H    VAL  21           H        VAL  21  -2.365   4.117  -5.432
  112    HA   VAL  21           HA       VAL  21  -2.644   1.227  -5.137
  113    HB   VAL  21           HB       VAL  21  -0.071   2.705  -5.578
  114   1HG1  VAL  21          1HG1      VAL  21  -0.248   0.412  -7.186
  115   2HG1  VAL  21          2HG1      VAL  21   0.664   0.598  -5.669
  116   3HG1  VAL  21          3HG1      VAL  21  -0.995  -0.046  -5.636
  117   1HG2  VAL  21          1HG2      VAL  21  -0.567   2.371  -8.084
  118   2HG2  VAL  21          2HG2      VAL  21  -2.275   2.258  -7.595
  119   3HG2  VAL  21          3HG2      VAL  21  -1.349   3.740  -7.257
  120    H    CYS  22           H        CYS  22  -0.637   0.301  -3.751
  121    HA   CYS  22           HA       CYS  22  -0.905   1.655  -1.181
  122   1HB   CYS  22          1HB       CYS  22  -0.383  -1.196  -1.973
  123   2HB   CYS  22          2HB       CYS  22   0.070  -0.620  -0.381
  124    H    THR  23           H        THR  23   1.201   1.296   0.255
  125    HA   THR  23           HA       THR  23   3.624   1.400  -1.369
  126    HB   THR  23           HB       THR  23   4.163   3.515   0.175
  127    HG1  THR  23           1HG      THR  23   1.254   3.217  -0.046
  128   1HG2  THR  23          1HG2      THR  23   4.101   4.050  -2.131
  129   2HG2  THR  23          2HG2      THR  23   2.454   3.405  -2.331
  130   3HG2  THR  23          3HG2      THR  23   2.705   4.966  -1.514
  131    H    ARG  24           H        ARG  24   5.619   1.475   0.115
  132    HA   ARG  24           HA       ARG  24   5.000   0.115   2.598
  133   1HB   ARG  24          1HB       ARG  24   5.552  -1.759   1.231
  134   2HB   ARG  24          2HB       ARG  24   6.777  -0.874   0.343
  135   1HG   ARG  24          1HG       ARG  24   8.405  -1.321   1.892
  136   2HG   ARG  24          2HG       ARG  24   7.338  -1.013   3.248
  137   1HD   ARG  24          1HD       ARG  24   6.856  -3.231   3.511
  138   2HD   ARG  24          2HD       ARG  24   6.563  -3.458   1.799
  139    HE   ARG  24           HE       ARG  24   8.818  -4.102   1.495
  140   1HH1  ARG  24          2HH2      ARG  24   8.333  -2.833   4.741
  141   2HH1  ARG  24          1HH2      ARG  24   9.873  -3.374   5.321
  142   1HH2  ARG  24          2HH1      ARG  24  10.850  -4.816   2.259
  143   2HH2  ARG  24          1HH1      ARG  24  11.314  -4.509   3.899
  144    H    ASN  25           H        ASN  25   5.966   1.302   4.214
  145    HA   ASN  25           HA       ASN  25   7.351   2.578   5.287
  146   1HB   ASN  25          1HB       ASN  25   9.345   1.317   3.346
  147   2HB   ASN  25          2HB       ASN  25   9.867   2.429   4.595
  148   1HD2  ASN  25          1HD2      ASN  25  10.276  -0.494   4.100
  149   2HD2  ASN  25          2HD2      ASN  25   9.857  -1.294   5.578
  150    H    GLY  26           H        GLY  26   6.035   3.459   2.632
  151   1HA   GLY  26          1HA       GLY  26   5.861   5.569   1.744
  152   2HA   GLY  26          2HA       GLY  26   7.421   6.004   2.415
  153    H    LEU  27           H        LEU  27   7.053   2.952   0.641
  154    HA   LEU  27           HA       LEU  27   8.048   4.166  -1.800
  155   1HB   LEU  27          1HB       LEU  27   9.572   1.963  -0.407
  156   2HB   LEU  27          2HB       LEU  27   9.965   2.708  -1.944
  157    HG   LEU  27           HG       LEU  27   9.853   4.332   0.596
  158   1HD1  LEU  27          1HD1      LEU  27  11.426   2.232   0.636
  159   2HD1  LEU  27          2HD1      LEU  27  12.454   3.239  -0.411
  160   3HD1  LEU  27          3HD1      LEU  27  12.004   3.813   1.213
  161   1HD2  LEU  27          1HD2      LEU  27   9.893   5.719  -1.306
  162   2HD2  LEU  27          2HD2      LEU  27  11.572   5.678  -0.715
  163   3HD2  LEU  27          3HD2      LEU  27  11.102   4.703  -2.128
  164    HA   PRO  28           HA       PRO  28   5.096   1.454  -3.089
  165   1HB   PRO  28          1HB       PRO  28   5.337   1.699  -5.812
  166   2HB   PRO  28          2HB       PRO  28   4.509   2.903  -4.769
  167   1HG   PRO  28          1HG       PRO  28   7.292   2.957  -5.935
  168   2HG   PRO  28          2HG       PRO  28   6.175   4.316  -5.574
  169   1HD   PRO  28          1HD       PRO  28   8.355   3.604  -3.979
  170   2HD   PRO  28          2HD       PRO  28   6.914   4.495  -3.382
  171    H    VAL  29           H        VAL  29   6.128  -0.431  -2.109
  172    HA   VAL  29           HA       VAL  29   6.985  -2.210  -4.272
  173    HB   VAL  29           HB       VAL  29   8.739  -3.108  -2.885
  174   1HG1  VAL  29          1HG1      VAL  29  10.080  -1.591  -3.817
  175   2HG1  VAL  29          2HG1      VAL  29   8.712  -0.462  -3.966
  176   3HG1  VAL  29          3HG1      VAL  29   9.716  -0.454  -2.496
  177   1HG2  VAL  29          1HG2      VAL  29   7.440  -2.431  -0.712
  178   2HG2  VAL  29          2HG2      VAL  29   9.219  -2.500  -0.700
  179   3HG2  VAL  29          3HG2      VAL  29   8.390  -0.931  -0.840
  Start of MODEL   12
    1    H    CYS   1           H        CYS   1   4.339  -1.871  -3.012
    2    HA   CYS   1           HA       CYS   1   4.067  -4.217  -1.306
    3   1HB   CYS   1          1HB       CYS   1   2.230  -1.897  -1.899
    4   2HB   CYS   1          2HB       CYS   1   1.689  -3.339  -1.063
    5    H    GLY   2           H        GLY   2   2.360  -2.601  -4.097
    6   1HA   GLY   2          1HA       GLY   2   2.035  -3.695  -6.167
    7   2HA   GLY   2          2HA       GLY   2   2.082  -5.249  -5.357
    8    H    GLU   3           H        GLU   3   0.373  -3.956  -3.072
    9    HA   GLU   3           HA       GLU   3  -2.108  -4.670  -4.306
   10   1HB   GLU   3          1HB       GLU   3  -1.808  -5.587  -2.134
   11   2HB   GLU   3          2HB       GLU   3  -1.218  -4.076  -1.471
   12   1HG   GLU   3          1HG       GLU   3  -3.383  -3.104  -1.399
   13   2HG   GLU   3          2HG       GLU   3  -4.031  -4.213  -2.591
   14    H    THR   4           H        THR   4  -4.038  -3.302  -4.295
   15    HA   THR   4           HA       THR   4  -3.335  -0.441  -4.306
   16    HB   THR   4           HB       THR   4  -5.195  -0.284  -5.990
   17    HG1  THR   4           1HG      THR   4  -6.473  -2.085  -5.403
   18   1HG2  THR   4          1HG2      THR   4  -2.811  -2.057  -6.394
   19   2HG2  THR   4          2HG2      THR   4  -4.122  -2.245  -7.583
   20   3HG2  THR   4          3HG2      THR   4  -3.351  -0.657  -7.350
   21    H    CYS   5           H        CYS   5  -4.323   0.932  -2.944
   22    HA   CYS   5           HA       CYS   5  -6.319  -0.262  -1.198
   23   1HB   CYS   5          1HB       CYS   5  -5.813   1.407   0.374
   24   2HB   CYS   5          2HB       CYS   5  -4.278   0.850  -0.262
   25    H    VAL   6           H        VAL   6  -7.399   0.060  -3.672
   26    HA   VAL   6           HA       VAL   6  -8.323   2.599  -4.333
   27    HB   VAL   6           HB       VAL   6  -9.200  -0.214  -4.907
   28   1HG1  VAL   6          1HG1      VAL   6 -11.282   1.022  -4.851
   29   2HG1  VAL   6          2HG1      VAL   6 -10.583   2.319  -5.851
   30   3HG1  VAL   6          3HG1      VAL   6 -10.839   0.700  -6.545
   31   1HG2  VAL   6          1HG2      VAL   6  -8.638   0.676  -7.280
   32   2HG2  VAL   6          2HG2      VAL   6  -7.832   2.009  -6.419
   33   3HG2  VAL   6          3HG2      VAL   6  -7.302   0.330  -6.156
   34    H    GLY   7           H        GLY   7  -9.256   0.341  -1.806
   35   1HA   GLY   7          1HA       GLY   7 -11.868   1.522  -1.400
   36   2HA   GLY   7          2HA       GLY   7 -11.093   0.270  -0.449
   37    H    GLY   8           H        GLY   8  -8.508   1.850  -0.182
   38   1HA   GLY   8          1HA       GLY   8  -8.073   4.056   0.746
   39   2HA   GLY   8          2HA       GLY   8  -9.504   3.868   1.739
   40    H    THR   9           H        THR   9  -7.748   0.906   1.275
   41    HA   THR   9           HA       THR   9  -6.015   1.318   3.560
   42    HB   THR   9           HB       THR   9  -7.929   0.720   4.834
   43    HG1  THR   9           1HG      THR   9  -6.882  -1.844   3.885
   44   1HG2  THR   9          1HG2      THR   9  -8.929  -1.681   3.674
   45   2HG2  THR   9          2HG2      THR   9  -9.770  -0.115   3.767
   46   3HG2  THR   9          3HG2      THR   9  -8.801  -0.521   2.331
   47    H    CYS  10           H        CYS  10  -4.699  -0.724   3.999
   48    HA   CYS  10           HA       CYS  10  -4.315  -2.116   1.449
   49   1HB   CYS  10          1HB       CYS  10  -2.195  -1.113   3.358
   50   2HB   CYS  10          2HB       CYS  10  -1.886  -2.201   2.020
   51    H    ASN  11           H        ASN  11  -3.902  -4.380   1.633
   52    HA   ASN  11           HA       ASN  11  -4.673  -5.447   4.183
   53   1HB   ASN  11          1HB       ASN  11  -5.626  -6.329   2.013
   54   2HB   ASN  11          2HB       ASN  11  -4.023  -6.856   1.539
   55   1HD2  ASN  11          1HD2      ASN  11  -6.812  -7.980   2.567
   56   2HD2  ASN  11          2HD2      ASN  11  -6.349  -9.327   3.553
   57    H    THR  12           H        THR  12  -1.928  -5.480   1.824
   58    HA   THR  12           HA       THR  12  -0.308  -7.329   3.146
   59    HB   THR  12           HB       THR  12   0.268  -4.961   1.294
   60    HG1  THR  12           1HG      THR  12  -1.070  -6.956   0.709
   61   1HG2  THR  12          1HG2      THR  12   2.062  -7.384   1.675
   62   2HG2  THR  12          2HG2      THR  12   2.457  -5.811   0.941
   63   3HG2  THR  12          3HG2      THR  12   2.285  -5.951   2.707
   64    HA   PRO  13           HA       PRO  13   0.734  -5.424   6.683
   65   1HB   PRO  13          1HB       PRO  13   3.003  -6.775   7.433
   66   2HB   PRO  13          2HB       PRO  13   1.343  -7.446   7.582
   67   1HG   PRO  13          1HG       PRO  13   3.441  -7.951   5.473
   68   2HG   PRO  13          2HG       PRO  13   2.171  -9.048   6.111
   69   1HD   PRO  13          1HD       PRO  13   2.014  -7.717   3.661
   70   2HD   PRO  13          2HD       PRO  13   0.590  -8.294   4.591
   71    H    GLY  14           H        GLY  14   1.519  -3.519   7.432
   72   1HA   GLY  14          1HA       GLY  14   2.990  -1.816   7.658
   73   2HA   GLY  14          2HA       GLY  14   4.226  -2.785   6.882
   74    H    CYS  15           H        CYS  15   1.269  -2.644   5.070
   75    HA   CYS  15           HA       CYS  15   2.583  -0.853   3.193
   76   1HB   CYS  15          1HB       CYS  15   0.322  -2.829   2.923
   77   2HB   CYS  15          2HB       CYS  15   0.676  -1.646   1.680
   78    H    THR  16           H        THR  16   1.875   1.253   2.973
   79    HA   THR  16           HA       THR  16  -0.503   2.011   4.491
   80    HB   THR  16           HB       THR  16   0.463   4.299   4.210
   81    HG1  THR  16           1HG      THR  16   2.450   4.381   2.934
   82   1HG2  THR  16          1HG2      THR  16   2.837   3.828   5.136
   83   2HG2  THR  16          2HG2      THR  16   1.486   3.175   6.093
   84   3HG2  THR  16          3HG2      THR  16   2.422   2.100   5.026
   85    H    CYS  17           H        CYS  17  -2.112   3.466   3.574
   86    HA   CYS  17           HA       CYS  17  -2.788   2.569   0.937
   87   1HB   CYS  17          1HB       CYS  17  -4.513   2.686   2.624
   88   2HB   CYS  17          2HB       CYS  17  -4.201   4.390   2.893
   89    H    SER  18           H        SER  18  -1.166   3.535  -0.425
   90    HA   SER  18           HA       SER  18  -1.185   6.432  -0.454
   91   1HB   SER  18          1HB       SER  18   0.627   4.302  -1.585
   92   2HB   SER  18          2HB       SER  18   0.602   5.872  -2.363
   93    HG   SER  18           HG       SER  18   1.044   5.481   0.473
   94    H    TRP  19           H        TRP  19  -3.568   6.172  -1.201
   95    HA   TRP  19           HA       TRP  19  -4.517   4.819  -3.267
   96   1HB   TRP  19          1HB       TRP  19  -5.417   6.888  -1.763
   97   2HB   TRP  19          2HB       TRP  19  -5.302   7.666  -3.329
   98    HD1  TRP  19           HD       TRP  19  -7.282   4.909  -1.521
   99    HE1  TRP  19           1HE      TRP  19  -9.427   4.210  -2.889
  100    HE3  TRP  19           3HE      TRP  19  -6.133   7.577  -5.694
  101    HZ2  TRP  19           2HZ      TRP  19 -10.381   4.837  -5.504
  102    HZ3  TRP  19           3HZ      TRP  19  -7.724   7.479  -7.610
  103    HH2  TRP  19           HH       TRP  19  -9.788   6.170  -7.562
  104    HA   PRO  20           HA       PRO  20  -5.559   4.758  -4.844
  105   1HB   PRO  20          1HB       PRO  20  -5.539   3.447  -7.242
  106   2HB   PRO  20          2HB       PRO  20  -6.435   4.928  -6.967
  107   1HG   PRO  20          1HG       PRO  20  -3.908   4.540  -8.451
  108   2HG   PRO  20          2HG       PRO  20  -5.024   5.889  -8.518
  109   1HD   PRO  20          1HD       PRO  20  -2.501   5.816  -7.156
  110   2HD   PRO  20          2HD       PRO  20  -3.669   7.121  -7.128
  111    H    VAL  21           H        VAL  21  -2.302   4.171  -5.299
  112    HA   VAL  21           HA       VAL  21  -2.680   1.286  -5.013
  113    HB   VAL  21           HB       VAL  21  -0.061   2.667  -5.495
  114   1HG1  VAL  21          1HG1      VAL  21  -1.219  -0.062  -5.839
  115   2HG1  VAL  21          2HG1      VAL  21  -0.012   0.474  -7.032
  116   3HG1  VAL  21          3HG1      VAL  21   0.402   0.439  -5.301
  117   1HG2  VAL  21          1HG2      VAL  21  -2.124   2.051  -7.639
  118   2HG2  VAL  21          2HG2      VAL  21  -1.636   3.675  -7.096
  119   3HG2  VAL  21          3HG2      VAL  21  -0.459   2.618  -7.912
  120    H    CYS  22           H        CYS  22  -0.632   0.335  -3.658
  121    HA   CYS  22           HA       CYS  22  -0.874   1.683  -1.083
  122   1HB   CYS  22          1HB       CYS  22  -0.233  -1.164  -1.845
  123   2HB   CYS  22          2HB       CYS  22   0.037  -0.545  -0.228
  124    H    THR  23           H        THR  23   1.241   1.367   0.329
  125    HA   THR  23           HA       THR  23   3.661   1.420  -1.291
  126    HB   THR  23           HB       THR  23   4.200   3.621   0.114
  127    HG1  THR  23           1HG      THR  23   1.293   3.275  -0.019
  128   1HG2  THR  23          1HG2      THR  23   4.049   3.841  -2.299
  129   2HG2  THR  23          2HG2      THR  23   2.303   3.494  -2.281
  130   3HG2  THR  23          3HG2      THR  23   2.912   5.032  -1.624
  131    H    ARG  24           H        ARG  24   5.646   1.338   0.055
  132    HA   ARG  24           HA       ARG  24   5.037   0.251   2.679
  133   1HB   ARG  24          1HB       ARG  24   5.472  -1.738   1.443
  134   2HB   ARG  24          2HB       ARG  24   6.705  -0.975   0.458
  135   1HG   ARG  24          1HG       ARG  24   8.360  -1.385   1.987
  136   2HG   ARG  24          2HG       ARG  24   7.354  -0.921   3.345
  137   1HD   ARG  24          1HD       ARG  24   6.182  -3.134   3.235
  138   2HD   ARG  24          2HD       ARG  24   7.187  -3.598   1.876
  139    HE   ARG  24           HE       ARG  24   8.956  -4.018   3.352
  140   1HH1  ARG  24          2HH2      ARG  24   6.536  -2.049   4.980
  141   2HH1  ARG  24          1HH2      ARG  24   7.300  -2.165   6.530
  142   1HH2  ARG  24          2HH1      ARG  24   9.964  -4.171   5.397
  143   2HH2  ARG  24          1HH1      ARG  24   9.263  -3.380   6.769
  144    H    ASN  25           H        ASN  25   6.145   1.418   4.217
  145    HA   ASN  25           HA       ASN  25   7.624   2.681   5.174
  146   1HB   ASN  25          1HB       ASN  25   9.429   1.241   3.188
  147   2HB   ASN  25          2HB       ASN  25  10.097   2.462   4.252
  148   1HD2  ASN  25          1HD2      ASN  25  10.373  -0.519   4.032
  149   2HD2  ASN  25          2HD2      ASN  25  10.096  -1.140   5.625
  150    H    GLY  26           H        GLY  26   6.146   3.576   2.648
  151   1HA   GLY  26          1HA       GLY  26   5.978   5.627   1.663
  152   2HA   GLY  26          2HA       GLY  26   7.559   6.070   2.274
  153    H    LEU  27           H        LEU  27   7.194   2.966   0.618
  154    HA   LEU  27           HA       LEU  27   8.086   4.120  -1.896
  155   1HB   LEU  27          1HB       LEU  27   9.655   1.923  -0.554
  156   2HB   LEU  27          2HB       LEU  27  10.021   2.734  -2.063
  157    HG   LEU  27           HG       LEU  27   9.907   4.288   0.514
  158   1HD1  LEU  27          1HD1      LEU  27  12.497   3.928   0.446
  159   2HD1  LEU  27          2HD1      LEU  27  11.442   2.725   1.225
  160   3HD1  LEU  27          3HD1      LEU  27  12.070   2.429  -0.414
  161   1HD2  LEU  27          1HD2      LEU  27  11.930   5.005  -1.451
  162   2HD2  LEU  27          2HD2      LEU  27  10.289   5.013  -2.141
  163   3HD2  LEU  27          3HD2      LEU  27  10.654   5.995  -0.702
  164    HA   PRO  28           HA       PRO  28   5.102   1.366  -3.013
  165   1HB   PRO  28          1HB       PRO  28   5.247   1.547  -5.749
  166   2HB   PRO  28          2HB       PRO  28   4.448   2.772  -4.705
  167   1HG   PRO  28          1HG       PRO  28   7.188   2.812  -5.969
  168   2HG   PRO  28          2HG       PRO  28   6.076   4.173  -5.601
  169   1HD   PRO  28          1HD       PRO  28   8.315   3.511  -4.067
  170   2HD   PRO  28          2HD       PRO  28   6.890   4.408  -3.441
  171    H    VAL  29           H        VAL  29   6.115  -0.512  -2.041
  172    HA   VAL  29           HA       VAL  29   6.985  -2.308  -4.187
  173    HB   VAL  29           HB       VAL  29   8.695  -3.221  -2.737
  174   1HG1  VAL  29          1HG1      VAL  29  10.201  -1.721  -3.455
  175   2HG1  VAL  29          2HG1      VAL  29   8.810  -0.794  -4.065
  176   3HG1  VAL  29          3HG1      VAL  29   9.500  -0.416  -2.469
  177   1HG2  VAL  29          1HG2      VAL  29   7.395  -2.512  -0.603
  178   2HG2  VAL  29          2HG2      VAL  29   9.175  -2.507  -0.568
  179   3HG2  VAL  29          3HG2      VAL  29   8.284  -0.978  -0.764
  Start of MODEL   13
    1    H    CYS   1           H        CYS   1   4.342  -1.900  -2.936
    2    HA   CYS   1           HA       CYS   1   3.946  -4.237  -1.241
    3   1HB   CYS   1          1HB       CYS   1   2.213  -1.846  -1.864
    4   2HB   CYS   1          2HB       CYS   1   1.599  -3.268  -1.044
    5    H    GLY   2           H        GLY   2   2.651  -2.574  -4.207
    6   1HA   GLY   2          1HA       GLY   2   2.196  -3.606  -6.225
    7   2HA   GLY   2          2HA       GLY   2   2.243  -5.180  -5.456
    8    H    GLU   3           H        GLU   3   0.492  -3.838  -3.177
    9    HA   GLU   3           HA       GLU   3  -1.965  -4.610  -4.433
   10   1HB   GLU   3          1HB       GLU   3  -1.058  -5.121  -1.980
   11   2HB   GLU   3          2HB       GLU   3  -1.791  -3.574  -1.603
   12   1HG   GLU   3          1HG       GLU   3  -3.970  -4.362  -2.511
   13   2HG   GLU   3          2HG       GLU   3  -3.247  -5.895  -2.956
   14    H    THR   4           H        THR   4  -3.989  -3.228  -4.072
   15    HA   THR   4           HA       THR   4  -3.284  -0.372  -4.248
   16    HB   THR   4           HB       THR   4  -5.173  -0.244  -5.920
   17    HG1  THR   4           1HG      THR   4  -6.360  -2.112  -6.135
   18   1HG2  THR   4          1HG2      THR   4  -3.263  -0.522  -7.235
   19   2HG2  THR   4          2HG2      THR   4  -2.755  -1.987  -6.361
   20   3HG2  THR   4          3HG2      THR   4  -4.051  -2.081  -7.578
   21    H    CYS   5           H        CYS   5  -4.333   1.015  -2.934
   22    HA   CYS   5           HA       CYS   5  -6.295  -0.211  -1.167
   23   1HB   CYS   5          1HB       CYS   5  -5.818   1.477   0.397
   24   2HB   CYS   5          2HB       CYS   5  -4.275   0.930  -0.229
   25    H    VAL   6           H        VAL   6  -7.392   0.077  -3.630
   26    HA   VAL   6           HA       VAL   6  -8.346   2.600  -4.312
   27    HB   VAL   6           HB       VAL   6  -9.190  -0.228  -4.859
   28   1HG1  VAL   6          1HG1      VAL   6 -10.901   0.555  -6.411
   29   2HG1  VAL   6          2HG1      VAL   6 -11.266   1.112  -4.760
   30   3HG1  VAL   6          3HG1      VAL   6 -10.578   2.244  -5.950
   31   1HG2  VAL   6          1HG2      VAL   6  -7.324   0.296  -6.141
   32   2HG2  VAL   6          2HG2      VAL   6  -8.662   0.689  -7.248
   33   3HG2  VAL   6          3HG2      VAL   6  -7.824   1.990  -6.368
   34    H    GLY   7           H        GLY   7  -9.249   0.350  -1.766
   35   1HA   GLY   7          1HA       GLY   7 -11.869   1.516  -1.359
   36   2HA   GLY   7          2HA       GLY   7 -11.087   0.268  -0.409
   37    H    GLY   8           H        GLY   8  -8.510   1.862  -0.152
   38   1HA   GLY   8          1HA       GLY   8  -8.078   4.071   0.776
   39   2HA   GLY   8          2HA       GLY   8  -9.506   3.877   1.773
   40    H    THR   9           H        THR   9  -7.749   0.918   1.302
   41    HA   THR   9           HA       THR   9  -6.002   1.330   3.575
   42    HB   THR   9           HB       THR   9  -8.251  -0.749   3.640
   43    HG1  THR   9           1HG      THR   9  -9.120   1.349   4.009
   44   1HG2  THR   9          1HG2      THR   9  -6.127   0.177   5.637
   45   2HG2  THR   9          2HG2      THR   9  -7.590  -0.710   6.127
   46   3HG2  THR   9          3HG2      THR   9  -6.403  -1.479   5.047
   47    H    CYS  10           H        CYS  10  -4.647  -0.664   3.991
   48    HA   CYS  10           HA       CYS  10  -4.299  -2.080   1.448
   49   1HB   CYS  10          1HB       CYS  10  -2.177  -1.055   3.343
   50   2HB   CYS  10          2HB       CYS  10  -1.862  -2.176   2.034
   51    H    ASN  11           H        ASN  11  -3.845  -4.345   1.633
   52    HA   ASN  11           HA       ASN  11  -4.632  -5.417   4.177
   53   1HB   ASN  11          1HB       ASN  11  -4.137  -6.610   1.411
   54   2HB   ASN  11          2HB       ASN  11  -4.398  -7.642   2.803
   55   1HD2  ASN  11          1HD2      ASN  11  -5.914  -6.718   0.253
   56   2HD2  ASN  11          2HD2      ASN  11  -7.532  -6.435   0.803
   57    H    THR  12           H        THR  12  -1.905  -5.590   1.781
   58    HA   THR  12           HA       THR  12  -0.276  -7.374   3.126
   59    HB   THR  12           HB       THR  12   0.308  -4.991   1.296
   60    HG1  THR  12           1HG      THR  12   0.022  -7.905   1.120
   61   1HG2  THR  12          1HG2      THR  12   2.318  -5.984   2.719
   62   2HG2  THR  12          2HG2      THR  12   2.110  -7.408   1.672
   63   3HG2  THR  12          3HG2      THR  12   2.503  -5.827   0.956
   64    HA   PRO  13           HA       PRO  13   0.739  -5.499   6.687
   65   1HB   PRO  13          1HB       PRO  13   3.001  -6.859   7.442
   66   2HB   PRO  13          2HB       PRO  13   1.340  -7.529   7.574
   67   1HG   PRO  13          1HG       PRO  13   3.453  -8.019   5.475
   68   2HG   PRO  13          2HG       PRO  13   2.178  -9.120   6.096
   69   1HD   PRO  13          1HD       PRO  13   2.040  -7.769   3.655
   70   2HD   PRO  13          2HD       PRO  13   0.608  -8.352   4.569
   71    H    GLY  14           H        GLY  14   1.520  -3.601   7.457
   72   1HA   GLY  14          1HA       GLY  14   2.989  -1.901   7.708
   73   2HA   GLY  14          2HA       GLY  14   4.232  -2.866   6.937
   74    H    CYS  15           H        CYS  15   1.254  -2.656   5.136
   75    HA   CYS  15           HA       CYS  15   2.603  -0.896   3.254
   76   1HB   CYS  15          1HB       CYS  15   0.298  -2.821   2.997
   77   2HB   CYS  15          2HB       CYS  15   0.652  -1.632   1.759
   78    H    THR  16           H        THR  16   1.853   1.192   2.876
   79    HA   THR  16           HA       THR  16  -0.455   2.026   4.479
   80    HB   THR  16           HB       THR  16   0.553   4.273   4.233
   81    HG1  THR  16           1HG      THR  16   2.677   2.920   2.777
   82   1HG2  THR  16          1HG2      THR  16   2.792   3.912   5.218
   83   2HG2  THR  16          2HG2      THR  16   1.643   2.767   5.951
   84   3HG2  THR  16          3HG2      THR  16   2.773   2.212   4.692
   85    H    CYS  17           H        CYS  17  -2.067   3.464   3.575
   86    HA   CYS  17           HA       CYS  17  -2.765   2.578   0.940
   87   1HB   CYS  17          1HB       CYS  17  -4.489   2.684   2.612
   88   2HB   CYS  17          2HB       CYS  17  -4.154   4.373   2.935
   89    H    SER  18           H        SER  18  -1.239   3.541  -0.497
   90    HA   SER  18           HA       SER  18  -1.234   6.445  -0.487
   91   1HB   SER  18          1HB       SER  18   0.982   5.417  -0.576
   92   2HB   SER  18          2HB       SER  18   0.514   4.406  -1.928
   93    HG   SER  18           HG       SER  18  -0.016   6.819  -2.814
   94    H    TRP  19           H        TRP  19  -3.619   6.180  -1.216
   95    HA   TRP  19           HA       TRP  19  -4.576   4.831  -3.283
   96   1HB   TRP  19          1HB       TRP  19  -5.491   6.864  -1.752
   97   2HB   TRP  19          2HB       TRP  19  -5.371   7.681  -3.298
   98    HD1  TRP  19           HD       TRP  19  -7.360   4.889  -1.560
   99    HE1  TRP  19           1HE      TRP  19  -9.496   4.216  -2.956
  100    HE3  TRP  19           3HE      TRP  19  -6.181   7.632  -5.677
  101    HZ2  TRP  19           2HZ      TRP  19 -10.432   4.890  -5.566
  102    HZ3  TRP  19           3HZ      TRP  19  -7.759   7.569  -7.605
  103    HH2  TRP  19           HH       TRP  19  -9.823   6.259  -7.595
  104    HA   PRO  20           HA       PRO  20  -5.631   4.776  -4.852
  105   1HB   PRO  20          1HB       PRO  20  -5.625   3.488  -7.262
  106   2HB   PRO  20          2HB       PRO  20  -6.529   4.959  -6.964
  107   1HG   PRO  20          1HG       PRO  20  -4.013   4.604  -8.475
  108   2HG   PRO  20          2HG       PRO  20  -5.140   5.945  -8.519
  109   1HD   PRO  20          1HD       PRO  20  -2.603   5.877  -7.182
  110   2HD   PRO  20          2HD       PRO  20  -3.781   7.174  -7.130
  111    H    VAL  21           H        VAL  21  -2.373   4.212  -5.358
  112    HA   VAL  21           HA       VAL  21  -2.726   1.323  -5.112
  113    HB   VAL  21           HB       VAL  21  -1.273   2.624  -6.867
  114   1HG1  VAL  21          1HG1      VAL  21   0.939   2.214  -4.897
  115   2HG1  VAL  21          2HG1      VAL  21   0.820   3.339  -6.271
  116   3HG1  VAL  21          3HG1      VAL  21  -0.044   3.690  -4.755
  117   1HG2  VAL  21          1HG2      VAL  21  -0.757   0.512  -7.353
  118   2HG2  VAL  21          2HG2      VAL  21   0.477   0.517  -6.071
  119   3HG2  VAL  21          3HG2      VAL  21  -1.189   0.012  -5.700
  120    H    CYS  22           H        CYS  22  -0.703   0.346  -3.762
  121    HA   CYS  22           HA       CYS  22  -0.945   1.654  -1.166
  122   1HB   CYS  22          1HB       CYS  22  -0.393  -1.184  -2.003
  123   2HB   CYS  22          2HB       CYS  22   0.004  -0.623  -0.391
  124    H    THR  23           H        THR  23   1.178   1.229   0.247
  125    HA   THR  23           HA       THR  23   3.604   1.276  -1.342
  126    HB   THR  23           HB       THR  23   4.140   3.506   0.044
  127    HG1  THR  23           1HG      THR  23   1.841   3.110   0.978
  128   1HG2  THR  23          1HG2      THR  23   2.228   3.510  -2.352
  129   2HG2  THR  23          2HG2      THR  23   3.187   4.903  -1.795
  130   3HG2  THR  23          3HG2      THR  23   4.004   3.467  -2.457
  131    H    ARG  24           H        ARG  24   5.576   1.440   0.159
  132    HA   ARG  24           HA       ARG  24   4.917   0.366   2.761
  133   1HB   ARG  24          1HB       ARG  24   5.325  -1.681   1.606
  134   2HB   ARG  24          2HB       ARG  24   6.596  -0.985   0.621
  135   1HG   ARG  24          1HG       ARG  24   8.187  -1.058   2.370
  136   2HG   ARG  24          2HG       ARG  24   6.962  -1.088   3.624
  137   1HD   ARG  24          1HD       ARG  24   6.665  -3.377   3.479
  138   2HD   ARG  24          2HD       ARG  24   6.877  -3.405   1.740
  139    HE   ARG  24           HE       ARG  24   9.375  -2.731   3.017
  140   1HH1  ARG  24          2HH2      ARG  24   7.227  -5.454   2.424
  141   2HH1  ARG  24          1HH2      ARG  24   8.492  -6.635   2.510
  142   1HH2  ARG  24          2HH1      ARG  24  11.044  -4.287   3.130
  143   2HH2  ARG  24          1HH1      ARG  24  10.677  -5.967   2.914
  144    H    ASN  25           H        ASN  25   6.039   1.569   4.263
  145    HA   ASN  25           HA       ASN  25   7.538   2.834   5.184
  146   1HB   ASN  25          1HB       ASN  25   9.040   0.827   4.561
  147   2HB   ASN  25          2HB       ASN  25   9.572   1.750   3.170
  148   1HD2  ASN  25          1HD2      ASN  25   9.722   1.327   6.584
  149   2HD2  ASN  25          2HD2      ASN  25  10.941   2.502   6.949
  150    H    GLY  26           H        GLY  26   6.092   3.633   2.585
  151   1HA   GLY  26          1HA       GLY  26   5.940   5.649   1.527
  152   2HA   GLY  26          2HA       GLY  26   7.506   6.118   2.159
  153    H    LEU  27           H        LEU  27   7.207   2.955   0.613
  154    HA   LEU  27           HA       LEU  27   8.165   4.032  -1.917
  155   1HB   LEU  27          1HB       LEU  27   9.668   1.849  -0.480
  156   2HB   LEU  27          2HB       LEU  27  10.092   2.635  -1.988
  157    HG   LEU  27           HG       LEU  27   9.896   4.254   0.540
  158   1HD1  LEU  27          1HD1      LEU  27  11.723   3.408   1.491
  159   2HD1  LEU  27          2HD1      LEU  27  11.540   2.022   0.389
  160   3HD1  LEU  27          3HD1      LEU  27  12.609   3.375  -0.052
  161   1HD2  LEU  27          1HD2      LEU  27  11.947   4.684  -1.581
  162   2HD2  LEU  27          2HD2      LEU  27  10.253   5.074  -1.964
  163   3HD2  LEU  27          3HD2      LEU  27  11.057   5.858  -0.583
  164    HA   PRO  28           HA       PRO  28   5.190   1.280  -3.058
  165   1HB   PRO  28          1HB       PRO  28   5.441   1.365  -5.790
  166   2HB   PRO  28          2HB       PRO  28   4.624   2.637  -4.820
  167   1HG   PRO  28          1HG       PRO  28   7.409   2.593  -5.979
  168   2HG   PRO  28          2HG       PRO  28   6.307   3.982  -5.700
  169   1HD   PRO  28          1HD       PRO  28   8.475   3.340  -4.061
  170   2HD   PRO  28          2HD       PRO  28   7.042   4.279  -3.520
  171    H    VAL  29           H        VAL  29   6.074  -0.598  -2.003
  172    HA   VAL  29           HA       VAL  29   7.028  -2.467  -4.046
  173    HB   VAL  29           HB       VAL  29   8.605  -3.393  -2.410
  174   1HG1  VAL  29          1HG1      VAL  29   9.421  -1.806  -4.068
  175   2HG1  VAL  29          2HG1      VAL  29   8.995  -0.440  -3.009
  176   3HG1  VAL  29          3HG1      VAL  29  10.281  -1.573  -2.528
  177   1HG2  VAL  29          1HG2      VAL  29   8.073  -0.935  -0.716
  178   2HG2  VAL  29          2HG2      VAL  29   7.358  -2.531  -0.386
  179   3HG2  VAL  29          3HG2      VAL  29   9.125  -2.320  -0.340
  Start of MODEL   14
    1    H    CYS   1           H        CYS   1   4.220  -1.893  -3.015
    2    HA   CYS   1           HA       CYS   1   3.954  -4.234  -1.302
    3   1HB   CYS   1          1HB       CYS   1   2.122  -1.900  -1.862
    4   2HB   CYS   1          2HB       CYS   1   1.605  -3.326  -0.984
    5    H    GLY   2           H        GLY   2   2.629  -2.638  -4.280
    6   1HA   GLY   2          1HA       GLY   2   2.129  -3.729  -6.257
    7   2HA   GLY   2          2HA       GLY   2   2.124  -5.274  -5.429
    8    H    GLU   3           H        GLU   3   0.421  -4.116  -3.160
    9    HA   GLU   3           HA       GLU   3  -2.062  -4.666  -4.450
   10   1HB   GLU   3          1HB       GLU   3  -1.356  -5.514  -2.143
   11   2HB   GLU   3          2HB       GLU   3  -1.583  -3.882  -1.545
   12   1HG   GLU   3          1HG       GLU   3  -3.974  -4.015  -2.561
   13   2HG   GLU   3          2HG       GLU   3  -3.688  -5.735  -2.734
   14    H    THR   4           H        THR   4  -3.976  -3.246  -4.328
   15    HA   THR   4           HA       THR   4  -3.193  -0.407  -4.221
   16    HB   THR   4           HB       THR   4  -4.980  -0.110  -5.954
   17    HG1  THR   4           1HG      THR   4  -6.256  -1.972  -5.269
   18   1HG2  THR   4          1HG2      THR   4  -3.108  -0.499  -7.273
   19   2HG2  THR   4          2HG2      THR   4  -2.662  -1.968  -6.372
   20   3HG2  THR   4          3HG2      THR   4  -3.942  -2.036  -7.608
   21    H    CYS   5           H        CYS   5  -4.299   0.986  -2.938
   22    HA   CYS   5           HA       CYS   5  -6.296  -0.273  -1.235
   23   1HB   CYS   5          1HB       CYS   5  -5.863   1.403   0.362
   24   2HB   CYS   5          2HB       CYS   5  -4.307   0.852  -0.227
   25    H    VAL   6           H        VAL   6  -7.365   0.035  -3.694
   26    HA   VAL   6           HA       VAL   6  -8.302   2.564  -4.378
   27    HB   VAL   6           HB       VAL   6  -9.146  -0.260  -4.948
   28   1HG1  VAL   6          1HG1      VAL   6 -10.687   2.245  -5.501
   29   2HG1  VAL   6          2HG1      VAL   6 -10.626   0.996  -6.768
   30   3HG1  VAL   6          3HG1      VAL   6 -11.263   0.597  -5.154
   31   1HG2  VAL   6          1HG2      VAL   6  -7.763   1.965  -6.433
   32   2HG2  VAL   6          2HG2      VAL   6  -7.262   0.273  -6.202
   33   3HG2  VAL   6          3HG2      VAL   6  -8.587   0.663  -7.325
   34    H    GLY   7           H        GLY   7  -9.238   0.310  -1.849
   35   1HA   GLY   7          1HA       GLY   7 -11.863   1.473  -1.472
   36   2HA   GLY   7          2HA       GLY   7 -11.089   0.229  -0.510
   37    H    GLY   8           H        GLY   8  -8.520   1.802  -0.201
   38   1HA   GLY   8          1HA       GLY   8  -8.110   4.018   0.722
   39   2HA   GLY   8          2HA       GLY   8  -9.546   3.819   1.707
   40    H    THR   9           H        THR   9  -7.747   0.877   1.252
   41    HA   THR   9           HA       THR   9  -6.036   1.307   3.548
   42    HB   THR   9           HB       THR   9  -7.950   0.693   4.814
   43    HG1  THR   9           1HG      THR   9  -7.233  -1.364   5.480
   44   1HG2  THR   9          1HG2      THR   9  -8.821  -0.519   2.310
   45   2HG2  THR   9          2HG2      THR   9  -8.898  -1.728   3.615
   46   3HG2  THR   9          3HG2      THR   9  -9.781  -0.190   3.772
   47    H    CYS  10           H        CYS  10  -4.708  -0.727   4.001
   48    HA   CYS  10           HA       CYS  10  -4.298  -2.121   1.456
   49   1HB   CYS  10          1HB       CYS  10  -2.190  -1.096   3.368
   50   2HB   CYS  10          2HB       CYS  10  -1.871  -2.175   2.025
   51    H    ASN  11           H        ASN  11  -3.866  -4.379   1.650
   52    HA   ASN  11           HA       ASN  11  -4.632  -5.444   4.202
   53   1HB   ASN  11          1HB       ASN  11  -5.445  -6.271   1.862
   54   2HB   ASN  11          2HB       ASN  11  -3.866  -7.015   1.695
   55   1HD2  ASN  11          1HD2      ASN  11  -6.147  -8.507   1.638
   56   2HD2  ASN  11          2HD2      ASN  11  -6.267  -9.518   3.039
   57    H    THR  12           H        THR  12  -1.880  -5.467   1.849
   58    HA   THR  12           HA       THR  12  -0.243  -7.291   3.180
   59    HB   THR  12           HB       THR  12   0.314  -4.912   1.336
   60    HG1  THR  12           1HG      THR  12   0.333  -7.828   1.027
   61   1HG2  THR  12          1HG2      THR  12   2.515  -5.736   0.992
   62   2HG2  THR  12          2HG2      THR  12   2.336  -5.876   2.757
   63   3HG2  THR  12          3HG2      THR  12   2.136  -7.313   1.725
   64    HA   PRO  13           HA       PRO  13   0.755  -5.380   6.727
   65   1HB   PRO  13          1HB       PRO  13   3.033  -6.710   7.489
   66   2HB   PRO  13          2HB       PRO  13   1.379  -7.397   7.627
   67   1HG   PRO  13          1HG       PRO  13   3.494  -7.879   5.530
   68   2HG   PRO  13          2HG       PRO  13   2.232  -8.990   6.159
   69   1HD   PRO  13          1HD       PRO  13   2.077  -7.657   3.710
   70   2HD   PRO  13          2HD       PRO  13   0.652  -8.249   4.630
   71    H    GLY  14           H        GLY  14   1.531  -3.479   7.502
   72   1HA   GLY  14          1HA       GLY  14   2.981  -1.761   7.736
   73   2HA   GLY  14          2HA       GLY  14   4.229  -2.716   6.961
   74    H    CYS  15           H        CYS  15   1.285  -2.601   5.131
   75    HA   CYS  15           HA       CYS  15   2.586  -0.779   3.275
   76   1HB   CYS  15          1HB       CYS  15   0.354  -2.785   2.969
   77   2HB   CYS  15          2HB       CYS  15   0.718  -1.596   1.734
   78    H    THR  16           H        THR  16   1.847   1.316   3.068
   79    HA   THR  16           HA       THR  16  -0.563   2.021   4.561
   80    HB   THR  16           HB       THR  16   0.369   4.305   4.392
   81    HG1  THR  16           1HG      THR  16   1.611   4.597   2.587
   82   1HG2  THR  16          1HG2      THR  16   1.487   2.758   6.079
   83   2HG2  THR  16          2HG2      THR  16   2.685   2.349   4.827
   84   3HG2  THR  16          3HG2      THR  16   2.573   4.016   5.441
   85    H    CYS  17           H        CYS  17  -2.168   3.484   3.631
   86    HA   CYS  17           HA       CYS  17  -2.799   2.594   0.979
   87   1HB   CYS  17          1HB       CYS  17  -4.550   2.673   2.639
   88   2HB   CYS  17          2HB       CYS  17  -4.264   4.377   2.932
   89    H    SER  18           H        SER  18  -1.265   3.589  -0.425
   90    HA   SER  18           HA       SER  18  -1.306   6.493  -0.398
   91   1HB   SER  18          1HB       SER  18   0.851   4.932  -0.561
   92   2HB   SER  18          2HB       SER  18   0.427   4.865  -2.260
   93    HG   SER  18           HG       SER  18   0.235   7.431  -1.711
   94    H    TRP  19           H        TRP  19  -3.667   6.205  -1.179
   95    HA   TRP  19           HA       TRP  19  -4.574   4.846  -3.259
   96   1HB   TRP  19          1HB       TRP  19  -5.522   6.895  -1.759
   97   2HB   TRP  19          2HB       TRP  19  -5.393   7.686  -3.318
   98    HD1  TRP  19           HD       TRP  19  -7.366   4.892  -1.559
   99    HE1  TRP  19           1HE      TRP  19  -9.483   4.178  -2.964
  100    HE3  TRP  19           3HE      TRP  19  -6.187   7.604  -5.696
  101    HZ2  TRP  19           2HZ      TRP  19 -10.405   4.813  -5.589
  102    HZ3  TRP  19           3HZ      TRP  19  -7.749   7.501  -7.636
  103    HH2  TRP  19           HH       TRP  19  -9.797   6.167  -7.627
  104    HA   PRO  20           HA       PRO  20  -5.597   4.778  -4.849
  105   1HB   PRO  20          1HB       PRO  20  -5.535   3.478  -7.251
  106   2HB   PRO  20          2HB       PRO  20  -6.453   4.945  -6.980
  107   1HG   PRO  20          1HG       PRO  20  -3.905   4.596  -8.438
  108   2HG   PRO  20          2HG       PRO  20  -5.038   5.931  -8.511
  109   1HD   PRO  20          1HD       PRO  20  -2.529   5.884  -7.123
  110   2HD   PRO  20          2HD       PRO  20  -3.714   7.175  -7.102
  111    H    VAL  21           H        VAL  21  -2.327   4.230  -5.283
  112    HA   VAL  21           HA       VAL  21  -2.676   1.341  -5.006
  113    HB   VAL  21           HB       VAL  21  -1.263   2.498  -6.820
  114   1HG1  VAL  21          1HG1      VAL  21   1.084   2.444  -5.051
  115   2HG1  VAL  21          2HG1      VAL  21   0.612   3.623  -6.299
  116   3HG1  VAL  21          3HG1      VAL  21  -0.076   3.737  -4.661
  117   1HG2  VAL  21          1HG2      VAL  21  -1.204   0.014  -5.746
  118   2HG2  VAL  21          2HG2      VAL  21  -0.165   0.533  -7.095
  119   3HG2  VAL  21          3HG2      VAL  21   0.471   0.528  -5.432
  120    H    CYS  22           H        CYS  22  -0.619   0.411  -3.648
  121    HA   CYS  22           HA       CYS  22  -0.884   1.751  -1.070
  122   1HB   CYS  22          1HB       CYS  22  -0.230  -1.090  -1.841
  123   2HB   CYS  22          2HB       CYS  22   0.055  -0.476  -0.225
  124    H    THR  23           H        THR  23   1.260   1.324   0.346
  125    HA   THR  23           HA       THR  23   3.667   1.461  -1.277
  126    HB   THR  23           HB       THR  23   4.263   3.633   0.029
  127    HG1  THR  23           1HG      THR  23   2.227   3.123   1.395
  128   1HG2  THR  23          1HG2      THR  23   1.953   3.637  -1.983
  129   2HG2  THR  23          2HG2      THR  23   2.807   5.104  -1.449
  130   3HG2  THR  23          3HG2      THR  23   3.681   3.845  -2.354
  131    H    ARG  24           H        ARG  24   5.653   1.318   0.041
  132    HA   ARG  24           HA       ARG  24   5.059   0.192   2.652
  133   1HB   ARG  24          1HB       ARG  24   5.470  -1.778   1.379
  134   2HB   ARG  24          2HB       ARG  24   6.696  -1.004   0.394
  135   1HG   ARG  24          1HG       ARG  24   8.365  -1.460   1.893
  136   2HG   ARG  24          2HG       ARG  24   7.384  -1.001   3.271
  137   1HD   ARG  24          1HD       ARG  24   6.303  -3.172   3.348
  138   2HD   ARG  24          2HD       ARG  24   6.936  -3.623   1.778
  139    HE   ARG  24           HE       ARG  24   8.950  -4.237   2.796
  140   1HH1  ARG  24          2HH2      ARG  24   7.158  -2.139   4.980
  141   2HH1  ARG  24          1HH2      ARG  24   8.260  -2.357   6.298
  142   1HH2  ARG  24          2HH1      ARG  24  10.404  -4.525   4.535
  143   2HH2  ARG  24          1HH1      ARG  24  10.119  -3.723   6.043
  144    H    ASN  25           H        ASN  25   6.177   1.341   4.196
  145    HA   ASN  25           HA       ASN  25   7.671   2.579   5.162
  146   1HB   ASN  25          1HB       ASN  25   9.467   1.159   3.150
  147   2HB   ASN  25          2HB       ASN  25  10.139   2.341   4.255
  148   1HD2  ASN  25          1HD2      ASN  25  10.387  -0.634   3.951
  149   2HD2  ASN  25          2HD2      ASN  25  10.089  -1.299   5.522
  150    H    GLY  26           H        GLY  26   6.210   3.493   2.618
  151   1HA   GLY  26          1HA       GLY  26   6.057   5.567   1.668
  152   2HA   GLY  26          2HA       GLY  26   7.649   5.981   2.271
  153    H    LEU  27           H        LEU  27   7.239   2.895   0.599
  154    HA   LEU  27           HA       LEU  27   8.124   4.056  -1.915
  155   1HB   LEU  27          1HB       LEU  27   9.675   1.819  -0.620
  156   2HB   LEU  27          2HB       LEU  27  10.048   2.670  -2.106
  157    HG   LEU  27           HG       LEU  27   9.960   4.130   0.531
  158   1HD1  LEU  27          1HD1      LEU  27  11.515   2.560   1.159
  159   2HD1  LEU  27          2HD1      LEU  27  12.097   2.302  -0.503
  160   3HD1  LEU  27          3HD1      LEU  27  12.557   3.777   0.382
  161   1HD2  LEU  27          1HD2      LEU  27  10.205   5.047  -2.027
  162   2HD2  LEU  27          2HD2      LEU  27  10.814   5.882  -0.578
  163   3HD2  LEU  27          3HD2      LEU  27  11.910   4.869  -1.549
  164    HA   PRO  28           HA       PRO  28   5.099   1.346  -3.031
  165   1HB   PRO  28          1HB       PRO  28   5.230   1.544  -5.766
  166   2HB   PRO  28          2HB       PRO  28   4.453   2.772  -4.710
  167   1HG   PRO  28          1HG       PRO  28   7.186   2.785  -5.991
  168   2HG   PRO  28          2HG       PRO  28   6.093   4.158  -5.607
  169   1HD   PRO  28          1HD       PRO  28   8.333   3.457  -4.092
  170   2HD   PRO  28          2HD       PRO  28   6.924   4.368  -3.451
  171    H    VAL  29           H        VAL  29   5.973  -0.588  -2.110
  172    HA   VAL  29           HA       VAL  29   6.826  -2.374  -4.262
  173    HB   VAL  29           HB       VAL  29   8.536  -3.335  -2.807
  174   1HG1  VAL  29          1HG1      VAL  29   9.638  -0.697  -2.650
  175   2HG1  VAL  29          2HG1      VAL  29   9.954  -1.971  -3.853
  176   3HG1  VAL  29          3HG1      VAL  29   8.635  -0.804  -4.117
  177   1HG2  VAL  29          1HG2      VAL  29   8.176  -0.981  -0.940
  178   2HG2  VAL  29          2HG2      VAL  29   7.384  -2.550  -0.661
  179   3HG2  VAL  29          3HG2      VAL  29   9.160  -2.446  -0.708
  Start of MODEL   15
    1    H    CYS   1           H        CYS   1   4.336  -1.911  -3.152
    2    HA   CYS   1           HA       CYS   1   4.206  -4.034  -1.160
    3   1HB   CYS   1          1HB       CYS   1   2.366  -1.803  -1.956
    4   2HB   CYS   1          2HB       CYS   1   1.716  -3.224  -1.163
    5    H    GLY   2           H        GLY   2   2.315  -2.885  -4.061
    6   1HA   GLY   2          1HA       GLY   2   2.099  -4.275  -5.992
    7   2HA   GLY   2          2HA       GLY   2   2.177  -5.693  -4.965
    8    H    GLU   3           H        GLU   3   0.411  -3.785  -3.022
    9    HA   GLU   3           HA       GLU   3  -2.059  -4.773  -4.181
   10   1HB   GLU   3          1HB       GLU   3  -1.080  -4.240  -1.402
   11   2HB   GLU   3          2HB       GLU   3  -2.783  -3.942  -1.690
   12   1HG   GLU   3          1HG       GLU   3  -2.873  -6.287  -2.777
   13   2HG   GLU   3          2HG       GLU   3  -1.265  -6.548  -2.132
   14    H    THR   4           H        THR   4  -4.063  -3.322  -3.786
   15    HA   THR   4           HA       THR   4  -3.293  -0.498  -4.125
   16    HB   THR   4           HB       THR   4  -5.165  -0.382  -5.790
   17    HG1  THR   4           1HG      THR   4  -5.103  -3.288  -5.427
   18   1HG2  THR   4          1HG2      THR   4  -2.890  -2.330  -6.153
   19   2HG2  THR   4          2HG2      THR   4  -4.204  -2.375  -7.352
   20   3HG2  THR   4          3HG2      THR   4  -3.285  -0.872  -7.095
   21    H    CYS   5           H        CYS   5  -4.355   1.001  -2.926
   22    HA   CYS   5           HA       CYS   5  -6.292  -0.109  -1.050
   23   1HB   CYS   5          1HB       CYS   5  -5.734   1.593   0.444
   24   2HB   CYS   5          2HB       CYS   5  -4.208   1.057  -0.231
   25    H    VAL   6           H        VAL   6  -7.330   0.139  -3.589
   26    HA   VAL   6           HA       VAL   6  -8.277   2.655  -4.301
   27    HB   VAL   6           HB       VAL   6  -9.189  -0.166  -4.827
   28   1HG1  VAL   6          1HG1      VAL   6 -11.224   1.044  -4.998
   29   2HG1  VAL   6          2HG1      VAL   6 -10.429   2.417  -5.805
   30   3HG1  VAL   6          3HG1      VAL   6 -10.617   0.869  -6.663
   31   1HG2  VAL   6          1HG2      VAL   6  -8.439   0.569  -7.185
   32   2HG2  VAL   6          2HG2      VAL   6  -7.648   1.932  -6.357
   33   3HG2  VAL   6          3HG2      VAL   6  -7.182   0.260  -5.963
   34    H    GLY   7           H        GLY   7  -9.197   0.448  -1.734
   35   1HA   GLY   7          1HA       GLY   7 -11.826   1.640  -1.385
   36   2HA   GLY   7          2HA       GLY   7 -11.096   0.354  -0.445
   37    H    GLY   8           H        GLY   8  -8.483   1.941  -0.168
   38   1HA   GLY   8          1HA       GLY   8  -8.018   4.107   0.825
   39   2HA   GLY   8          2HA       GLY   8  -9.462   3.921   1.800
   40    H    THR   9           H        THR   9  -7.695   0.962   1.255
   41    HA   THR   9           HA       THR   9  -6.014   1.288   3.589
   42    HB   THR   9           HB       THR   9  -8.294  -0.759   3.504
   43    HG1  THR   9           1HG      THR   9  -9.170   0.708   5.080
   44   1HG2  THR   9          1HG2      THR   9  -6.162  -0.040   5.579
   45   2HG2  THR   9          2HG2      THR   9  -7.647  -0.935   5.983
   46   3HG2  THR   9          3HG2      THR   9  -6.462  -1.639   4.856
   47    H    CYS  10           H        CYS  10  -4.698  -0.759   3.977
   48    HA   CYS  10           HA       CYS  10  -4.279  -2.077   1.393
   49   1HB   CYS  10          1HB       CYS  10  -2.187  -1.089   3.340
   50   2HB   CYS  10          2HB       CYS  10  -1.851  -2.164   1.998
   51    H    ASN  11           H        ASN  11  -3.779  -4.341   1.532
   52    HA   ASN  11           HA       ASN  11  -4.614  -5.488   4.026
   53   1HB   ASN  11          1HB       ASN  11  -5.191  -6.216   1.502
   54   2HB   ASN  11          2HB       ASN  11  -3.696  -7.121   1.640
   55   1HD2  ASN  11          1HD2      ASN  11  -4.235  -9.155   1.903
   56   2HD2  ASN  11          2HD2      ASN  11  -5.340  -9.799   3.071
   57    H    THR  12           H        THR  12  -1.832  -5.641   1.682
   58    HA   THR  12           HA       THR  12  -0.211  -7.389   3.073
   59    HB   THR  12           HB       THR  12   0.381  -5.010   1.241
   60    HG1  THR  12           1HG      THR  12  -0.897  -7.070   0.660
   61   1HG2  THR  12          1HG2      THR  12   2.596  -5.820   0.951
   62   2HG2  THR  12          2HG2      THR  12   2.377  -5.948   2.713
   63   3HG2  THR  12          3HG2      THR  12   2.213  -7.394   1.688
   64    HA   PRO  13           HA       PRO  13   0.712  -5.490   6.646
   65   1HB   PRO  13          1HB       PRO  13   2.974  -6.821   7.452
   66   2HB   PRO  13          2HB       PRO  13   1.318  -7.510   7.552
   67   1HG   PRO  13          1HG       PRO  13   3.478  -7.982   5.499
   68   2HG   PRO  13          2HG       PRO  13   2.203  -9.096   6.097
   69   1HD   PRO  13          1HD       PRO  13   2.100  -7.755   3.650
   70   2HD   PRO  13          2HD       PRO  13   0.657  -8.351   4.537
   71    H    GLY  14           H        GLY  14   1.416  -3.550   7.365
   72   1HA   GLY  14          1HA       GLY  14   2.872  -1.840   7.658
   73   2HA   GLY  14          2HA       GLY  14   4.143  -2.793   6.918
   74    H    CYS  15           H        CYS  15   1.211  -2.654   5.046
   75    HA   CYS  15           HA       CYS  15   2.572  -0.902   3.172
   76   1HB   CYS  15          1HB       CYS  15   0.287  -2.846   2.923
   77   2HB   CYS  15          2HB       CYS  15   0.602  -1.649   1.682
   78    H    THR  16           H        THR  16   1.922   1.220   2.918
   79    HA   THR  16           HA       THR  16  -0.416   2.073   4.443
   80    HB   THR  16           HB       THR  16   0.635   4.367   3.843
   81    HG1  THR  16           1HG      THR  16   1.815   3.134   2.016
   82   1HG2  THR  16          1HG2      THR  16   1.708   4.145   5.846
   83   2HG2  THR  16          2HG2      THR  16   1.522   2.378   5.742
   84   3HG2  THR  16          3HG2      THR  16   2.965   3.163   5.056
   85    H    CYS  17           H        CYS  17  -2.031   3.498   3.531
   86    HA   CYS  17           HA       CYS  17  -2.724   2.597   0.895
   87   1HB   CYS  17          1HB       CYS  17  -4.482   2.642   2.490
   88   2HB   CYS  17          2HB       CYS  17  -4.127   4.293   2.957
   89    H    SER  18           H        SER  18  -1.218   3.592  -0.539
   90    HA   SER  18           HA       SER  18  -1.266   6.496  -0.515
   91   1HB   SER  18          1HB       SER  18   0.896   4.950  -0.705
   92   2HB   SER  18          2HB       SER  18   0.444   4.864  -2.396
   93    HG   SER  18           HG       SER  18   0.279   7.469  -1.591
   94    H    TRP  19           H        TRP  19  -3.623   6.255  -1.266
   95    HA   TRP  19           HA       TRP  19  -4.584   4.880  -3.316
   96   1HB   TRP  19          1HB       TRP  19  -5.472   6.967  -1.824
   97   2HB   TRP  19          2HB       TRP  19  -5.370   7.726  -3.400
   98    HD1  TRP  19           HD       TRP  19  -7.335   4.993  -1.542
   99    HE1  TRP  19           1HE      TRP  19  -9.491   4.276  -2.885
  100    HE3  TRP  19           3HE      TRP  19  -6.217   7.605  -5.759
  101    HZ2  TRP  19           2HZ      TRP  19 -10.464   4.868  -5.501
  102    HZ3  TRP  19           3HZ      TRP  19  -7.823   7.481  -7.661
  103    HH2  TRP  19           HH       TRP  19  -9.886   6.172  -7.580
  104    HA   PRO  20           HA       PRO  20  -5.630   4.806  -4.887
  105   1HB   PRO  20          1HB       PRO  20  -5.622   3.479  -7.277
  106   2HB   PRO  20          2HB       PRO  20  -6.518   4.960  -7.006
  107   1HG   PRO  20          1HG       PRO  20  -3.998   4.565  -8.501
  108   2HG   PRO  20          2HG       PRO  20  -5.116   5.913  -8.571
  109   1HD   PRO  20          1HD       PRO  20  -2.586   5.850  -7.222
  110   2HD   PRO  20          2HD       PRO  20  -3.755   7.155  -7.196
  111    H    VAL  21           H        VAL  21  -2.374   4.207  -5.386
  112    HA   VAL  21           HA       VAL  21  -2.751   1.328  -5.083
  113    HB   VAL  21           HB       VAL  21  -1.339   2.434  -6.908
  114   1HG1  VAL  21          1HG1      VAL  21   0.542   2.787  -4.550
  115   2HG1  VAL  21          2HG1      VAL  21   1.002   2.944  -6.263
  116   3HG1  VAL  21          3HG1      VAL  21  -0.171   4.077  -5.549
  117   1HG2  VAL  21          1HG2      VAL  21   0.423   0.525  -5.468
  118   2HG2  VAL  21          2HG2      VAL  21  -1.244  -0.019  -5.771
  119   3HG2  VAL  21          3HG2      VAL  21  -0.210   0.478  -7.131
  120    H    CYS  22           H        CYS  22  -0.689   0.384  -3.732
  121    HA   CYS  22           HA       CYS  22  -0.947   1.719  -1.151
  122   1HB   CYS  22          1HB       CYS  22  -0.387  -1.120  -1.965
  123   2HB   CYS  22          2HB       CYS  22   0.057  -0.546  -0.369
  124    H    THR  23           H        THR  23   1.198   1.287   0.261
  125    HA   THR  23           HA       THR  23   3.600   1.440  -1.374
  126    HB   THR  23           HB       THR  23   4.194   3.584  -0.000
  127    HG1  THR  23           1HG      THR  23   2.216   4.632   0.760
  128   1HG2  THR  23          1HG2      THR  23   2.733   5.079  -1.473
  129   2HG2  THR  23          2HG2      THR  23   3.682   3.875  -2.377
  130   3HG2  THR  23          3HG2      THR  23   1.948   3.601  -2.081
  131    H    ARG  24           H        ARG  24   5.597   1.309  -0.048
  132    HA   ARG  24           HA       ARG  24   4.994   0.033   2.496
  133   1HB   ARG  24          1HB       ARG  24   5.570  -1.779   1.002
  134   2HB   ARG  24          2HB       ARG  24   6.894  -0.877   0.291
  135   1HG   ARG  24          1HG       ARG  24   7.956  -2.404   1.779
  136   2HG   ARG  24          2HG       ARG  24   7.977  -0.878   2.640
  137   1HD   ARG  24          1HD       ARG  24   6.244  -1.535   4.126
  138   2HD   ARG  24          2HD       ARG  24   5.642  -2.771   3.039
  139    HE   ARG  24           HE       ARG  24   8.143  -3.723   3.561
  140   1HH1  ARG  24          2HH2      ARG  24   5.647  -2.479   5.707
  141   2HH1  ARG  24          1HH2      ARG  24   6.136  -3.456   7.051
  142   1HH2  ARG  24          2HH1      ARG  24   8.788  -5.013   5.334
  143   2HH2  ARG  24          1HH1      ARG  24   7.935  -4.907   6.838
  144    H    ASN  25           H        ASN  25   5.923   1.238   4.121
  145    HA   ASN  25           HA       ASN  25   7.280   2.529   5.210
  146   1HB   ASN  25          1HB       ASN  25   8.929   0.658   4.634
  147   2HB   ASN  25          2HB       ASN  25   9.472   1.618   3.272
  148   1HD2  ASN  25          1HD2      ASN  25  11.519   1.946   3.959
  149   2HD2  ASN  25          2HD2      ASN  25  11.962   2.907   5.330
  150    H    GLY  26           H        GLY  26   5.932   3.466   2.642
  151   1HA   GLY  26          1HA       GLY  26   5.759   5.543   1.713
  152   2HA   GLY  26          2HA       GLY  26   7.295   6.005   2.418
  153    H    LEU  27           H        LEU  27   7.130   2.942   0.672
  154    HA   LEU  27           HA       LEU  27   8.135   4.206  -1.753
  155   1HB   LEU  27          1HB       LEU  27   9.623   2.070  -0.219
  156   2HB   LEU  27          2HB       LEU  27  10.016   2.607  -1.840
  157    HG   LEU  27           HG       LEU  27  10.005   4.453   0.559
  158   1HD1  LEU  27          1HD1      LEU  27  12.534   3.378  -0.643
  159   2HD1  LEU  27          2HD1      LEU  27  12.235   4.053   0.977
  160   3HD1  LEU  27          3HD1      LEU  27  11.653   2.420   0.571
  161   1HD2  LEU  27          1HD2      LEU  27  10.894   6.082  -0.784
  162   2HD2  LEU  27          2HD2      LEU  27  11.590   4.917  -1.936
  163   3HD2  LEU  27          3HD2      LEU  27   9.840   5.244  -1.949
  164    HA   PRO  28           HA       PRO  28   5.254   1.514  -3.210
  165   1HB   PRO  28          1HB       PRO  28   5.648   1.746  -5.917
  166   2HB   PRO  28          2HB       PRO  28   4.778   2.964  -4.924
  167   1HG   PRO  28          1HG       PRO  28   7.621   2.980  -5.935
  168   2HG   PRO  28          2HG       PRO  28   6.503   4.353  -5.640
  169   1HD   PRO  28          1HD       PRO  28   8.583   3.621  -3.926
  170   2HD   PRO  28          2HD       PRO  28   7.122   4.531  -3.411
  171    H    VAL  29           H        VAL  29   6.005  -0.444  -2.245
  172    HA   VAL  29           HA       VAL  29   6.891  -2.263  -4.322
  173    HB   VAL  29           HB       VAL  29   8.732  -3.120  -3.018
  174   1HG1  VAL  29          1HG1      VAL  29  10.293  -1.215  -3.203
  175   2HG1  VAL  29          2HG1      VAL  29   9.225  -1.344  -4.621
  176   3HG1  VAL  29          3HG1      VAL  29   8.910  -0.109  -3.379
  177   1HG2  VAL  29          1HG2      VAL  29   9.416  -2.336  -0.921
  178   2HG2  VAL  29          2HG2      VAL  29   8.476  -0.831  -1.067
  179   3HG2  VAL  29          3HG2      VAL  29   7.641  -2.378  -0.789
  Start of MODEL   16
    1    H    CYS   1           H        CYS   1   4.258  -2.071  -2.892
    2    HA   CYS   1           HA       CYS   1   3.827  -4.450  -1.265
    3   1HB   CYS   1          1HB       CYS   1   1.971  -2.155  -1.931
    4   2HB   CYS   1          2HB       CYS   1   1.547  -3.539  -0.943
    5    H    GLY   2           H        GLY   2   2.934  -2.788  -4.344
    6   1HA   GLY   2          1HA       GLY   2   2.446  -3.756  -6.353
    7   2HA   GLY   2          2HA       GLY   2   2.442  -5.342  -5.607
    8    H    GLU   3           H        GLU   3   0.592  -3.745  -3.454
    9    HA   GLU   3           HA       GLU   3  -1.818  -4.465  -4.901
   10   1HB   GLU   3          1HB       GLU   3  -2.836  -4.886  -2.812
   11   2HB   GLU   3          2HB       GLU   3  -1.191  -5.443  -2.581
   12   1HG   GLU   3          1HG       GLU   3  -0.614  -3.200  -1.565
   13   2HG   GLU   3          2HG       GLU   3  -2.294  -2.726  -1.722
   14    H    THR   4           H        THR   4  -3.834  -3.053  -4.252
   15    HA   THR   4           HA       THR   4  -3.006  -0.234  -4.074
   16    HB   THR   4           HB       THR   4  -4.618   0.274  -5.862
   17    HG1  THR   4           1HG      THR   4  -4.978  -2.639  -5.823
   18   1HG2  THR   4          1HG2      THR   4  -3.548  -2.161  -7.166
   19   2HG2  THR   4          2HG2      THR   4  -3.293  -0.452  -7.593
   20   3HG2  THR   4          3HG2      THR   4  -2.289  -1.214  -6.336
   21    H    CYS   5           H        CYS   5  -4.352   1.155  -2.925
   22    HA   CYS   5           HA       CYS   5  -6.292  -0.285  -1.282
   23   1HB   CYS   5          1HB       CYS   5  -6.008   1.406   0.373
   24   2HB   CYS   5          2HB       CYS   5  -4.428   0.821  -0.109
   25    H    VAL   6           H        VAL   6  -7.401   0.024  -3.666
   26    HA   VAL   6           HA       VAL   6  -8.366   2.539  -4.363
   27    HB   VAL   6           HB       VAL   6  -9.158  -0.299  -4.913
   28   1HG1  VAL   6          1HG1      VAL   6 -10.801   2.148  -5.405
   29   2HG1  VAL   6          2HG1      VAL   6 -10.717   0.929  -6.699
   30   3HG1  VAL   6          3HG1      VAL   6 -11.307   0.472  -5.083
   31   1HG2  VAL   6          1HG2      VAL   6  -7.890   1.972  -6.432
   32   2HG2  VAL   6          2HG2      VAL   6  -7.323   0.299  -6.210
   33   3HG2  VAL   6          3HG2      VAL   6  -8.687   0.639  -7.301
   34    H    GLY   7           H        GLY   7  -9.259   0.297  -1.808
   35   1HA   GLY   7          1HA       GLY   7 -11.887   1.456  -1.415
   36   2HA   GLY   7          2HA       GLY   7 -11.112   0.203  -0.467
   37    H    GLY   8           H        GLY   8  -8.544   1.769  -0.167
   38   1HA   GLY   8          1HA       GLY   8  -8.093   3.963   0.769
   39   2HA   GLY   8          2HA       GLY   8  -9.538   3.796   1.746
   40    H    THR   9           H        THR   9  -7.717   0.849   1.265
   41    HA   THR   9           HA       THR   9  -6.067   1.245   3.611
   42    HB   THR   9           HB       THR   9  -8.251  -0.901   3.557
   43    HG1  THR   9           1HG      THR   9  -7.914   1.609   5.044
   44   1HG2  THR   9          1HG2      THR   9  -7.642  -0.571   6.154
   45   2HG2  THR   9          2HG2      THR   9  -6.699  -1.689   5.140
   46   3HG2  THR   9          3HG2      THR   9  -6.075  -0.058   5.483
   47    H    CYS  10           H        CYS  10  -4.668  -0.709   4.026
   48    HA   CYS  10           HA       CYS  10  -4.178  -2.034   1.458
   49   1HB   CYS  10          1HB       CYS  10  -2.178  -1.120   3.534
   50   2HB   CYS  10          2HB       CYS  10  -1.786  -2.137   2.162
   51    H    ASN  11           H        ASN  11  -3.746  -4.303   1.558
   52    HA   ASN  11           HA       ASN  11  -4.653  -5.495   4.008
   53   1HB   ASN  11          1HB       ASN  11  -4.264  -6.377   1.153
   54   2HB   ASN  11          2HB       ASN  11  -4.137  -7.626   2.375
   55   1HD2  ASN  11          1HD2      ASN  11  -5.893  -8.253   3.554
   56   2HD2  ASN  11          2HD2      ASN  11  -7.521  -7.777   3.203
   57    H    THR  12           H        THR  12  -1.782  -5.342   1.822
   58    HA   THR  12           HA       THR  12  -0.232  -7.265   3.178
   59    HB   THR  12           HB       THR  12   0.401  -4.916   1.322
   60    HG1  THR  12           1HG      THR  12  -0.854  -6.810   0.560
   61   1HG2  THR  12          1HG2      THR  12   2.614  -5.739   1.070
   62   2HG2  THR  12          2HG2      THR  12   2.375  -5.851   2.830
   63   3HG2  THR  12          3HG2      THR  12   2.214  -7.305   1.815
   64    HA   PRO  13           HA       PRO  13   0.689  -5.344   6.739
   65   1HB   PRO  13          1HB       PRO  13   2.926  -6.698   7.576
   66   2HB   PRO  13          2HB       PRO  13   1.260  -7.363   7.670
   67   1HG   PRO  13          1HG       PRO  13   3.429  -7.886   5.639
   68   2HG   PRO  13          2HG       PRO  13   2.134  -8.976   6.239
   69   1HD   PRO  13          1HD       PRO  13   2.069  -7.658   3.777
   70   2HD   PRO  13          2HD       PRO  13   0.610  -8.225   4.658
   71    H    GLY  14           H        GLY  14   1.437  -3.424   7.480
   72   1HA   GLY  14          1HA       GLY  14   2.936  -1.749   7.779
   73   2HA   GLY  14          2HA       GLY  14   4.174  -2.708   6.993
   74    H    CYS  15           H        CYS  15   1.292  -2.610   5.107
   75    HA   CYS  15           HA       CYS  15   2.599  -0.768   3.288
   76   1HB   CYS  15          1HB       CYS  15   0.322  -2.722   2.978
   77   2HB   CYS  15          2HB       CYS  15   0.704  -1.533   1.750
   78    H    THR  16           H        THR  16   1.891   1.339   3.059
   79    HA   THR  16           HA       THR  16  -0.482   2.101   4.584
   80    HB   THR  16           HB       THR  16   0.530   4.434   4.059
   81    HG1  THR  16           1HG      THR  16   1.784   3.458   2.222
   82   1HG2  THR  16          1HG2      THR  16   2.651   3.974   5.497
   83   2HG2  THR  16          2HG2      THR  16   1.083   3.594   6.249
   84   3HG2  THR  16          3HG2      THR  16   2.086   2.288   5.573
   85    H    CYS  17           H        CYS  17  -2.143   3.453   3.693
   86    HA   CYS  17           HA       CYS  17  -2.781   2.619   1.035
   87   1HB   CYS  17          1HB       CYS  17  -4.511   2.681   2.720
   88   2HB   CYS  17          2HB       CYS  17  -4.230   4.386   3.014
   89    H    SER  18           H        SER  18  -1.364   3.626  -0.447
   90    HA   SER  18           HA       SER  18  -1.383   6.534  -0.363
   91   1HB   SER  18          1HB       SER  18   0.847   5.421  -0.450
   92   2HB   SER  18          2HB       SER  18   0.397   4.625  -1.945
   93    HG   SER  18           HG       SER  18  -0.092   7.145  -2.481
   94    H    TRP  19           H        TRP  19  -3.764   6.181  -1.108
   95    HA   TRP  19           HA       TRP  19  -4.659   4.856  -3.215
   96   1HB   TRP  19          1HB       TRP  19  -5.681   6.776  -1.645
   97   2HB   TRP  19          2HB       TRP  19  -5.522   7.697  -3.127
   98    HD1  TRP  19           HD       TRP  19  -7.534   4.786  -1.642
   99    HE1  TRP  19           1HE      TRP  19  -9.594   4.158  -3.166
  100    HE3  TRP  19           3HE      TRP  19  -6.214   7.754  -5.554
  101    HZ2  TRP  19           2HZ      TRP  19 -10.422   4.955  -5.778
  102    HZ3  TRP  19           3HZ      TRP  19  -7.703   7.771  -7.553
  103    HH2  TRP  19           HH       TRP  19  -9.745   6.435  -7.704
  104    HA   PRO  20           HA       PRO  20  -5.696   4.798  -4.793
  105   1HB   PRO  20          1HB       PRO  20  -5.624   3.560  -7.229
  106   2HB   PRO  20          2HB       PRO  20  -6.580   4.994  -6.911
  107   1HG   PRO  20          1HG       PRO  20  -4.040   4.754  -8.403
  108   2HG   PRO  20          2HG       PRO  20  -5.210   6.058  -8.431
  109   1HD   PRO  20          1HD       PRO  20  -2.685   6.048  -7.071
  110   2HD   PRO  20          2HD       PRO  20  -3.907   7.303  -7.005
  111    H    VAL  21           H        VAL  21  -2.417   4.353  -5.282
  112    HA   VAL  21           HA       VAL  21  -2.676   1.450  -5.085
  113    HB   VAL  21           HB       VAL  21  -0.164   3.048  -5.549
  114   1HG1  VAL  21          1HG1      VAL  21   0.154   0.801  -6.974
  115   2HG1  VAL  21          2HG1      VAL  21   0.558   0.903  -5.244
  116   3HG1  VAL  21          3HG1      VAL  21  -0.989   0.187  -5.755
  117   1HG2  VAL  21          1HG2      VAL  21  -2.408   2.460  -7.444
  118   2HG2  VAL  21          2HG2      VAL  21  -1.339   3.879  -7.340
  119   3HG2  VAL  21          3HG2      VAL  21  -0.736   2.361  -8.047
  120    H    CYS  22           H        CYS  22  -0.681   0.490  -3.721
  121    HA   CYS  22           HA       CYS  22  -0.939   1.786  -1.120
  122   1HB   CYS  22          1HB       CYS  22  -0.586  -1.034  -2.021
  123   2HB   CYS  22          2HB       CYS  22   0.132  -0.574  -0.489
  124    H    THR  23           H        THR  23   1.168   1.394   0.303
  125    HA   THR  23           HA       THR  23   3.604   1.435  -1.277
  126    HB   THR  23           HB       THR  23   4.175   3.649   0.050
  127    HG1  THR  23           1HG      THR  23   2.263   4.706   0.744
  128   1HG2  THR  23          1HG2      THR  23   2.994   5.075  -1.664
  129   2HG2  THR  23          2HG2      THR  23   3.861   3.711  -2.409
  130   3HG2  THR  23          3HG2      THR  23   2.095   3.636  -2.200
  131    H    ARG  24           H        ARG  24   5.572   1.441   0.151
  132    HA   ARG  24           HA       ARG  24   4.927   0.450   2.792
  133   1HB   ARG  24          1HB       ARG  24   5.195  -1.634   1.670
  134   2HB   ARG  24          2HB       ARG  24   6.459  -1.021   0.623
  135   1HG   ARG  24          1HG       ARG  24   8.112  -1.143   2.313
  136   2HG   ARG  24          2HG       ARG  24   6.937  -1.093   3.612
  137   1HD   ARG  24          1HD       ARG  24   6.885  -3.361   3.684
  138   2HD   ARG  24          2HD       ARG  24   6.353  -3.422   2.015
  139    HE   ARG  24           HE       ARG  24   9.109  -2.907   1.881
  140   1HH1  ARG  24          2HH2      ARG  24   7.059  -5.440   3.209
  141   2HH1  ARG  24          1HH2      ARG  24   8.249  -6.684   3.010
  142   1HH2  ARG  24          2HH1      ARG  24  10.678  -4.547   1.618
  143   2HH2  ARG  24          1HH1      ARG  24  10.321  -6.172   2.099
  144    H    ASN  25           H        ASN  25   6.156   1.604   4.247
  145    HA   ASN  25           HA       ASN  25   7.743   2.802   5.108
  146   1HB   ASN  25          1HB       ASN  25   9.127   0.724   4.523
  147   2HB   ASN  25          2HB       ASN  25   9.636   1.538   3.057
  148   1HD2  ASN  25          1HD2      ASN  25   9.949   1.283   6.474
  149   2HD2  ASN  25          2HD2      ASN  25  11.243   2.410   6.713
  150    H    GLY  26           H        GLY  26   6.279   3.632   2.523
  151   1HA   GLY  26          1HA       GLY  26   6.213   5.657   1.461
  152   2HA   GLY  26          2HA       GLY  26   7.835   6.023   2.014
  153    H    LEU  27           H        LEU  27   7.229   2.872   0.529
  154    HA   LEU  27           HA       LEU  27   8.084   3.825  -2.073
  155   1HB   LEU  27          1HB       LEU  27   9.658   1.692  -0.635
  156   2HB   LEU  27          2HB       LEU  27   9.977   2.372  -2.218
  157    HG   LEU  27           HG       LEU  27  10.039   4.068   0.281
  158   1HD1  LEU  27          1HD1      LEU  27  11.731   1.899  -0.160
  159   2HD1  LEU  27          2HD1      LEU  27  12.665   3.313  -0.705
  160   3HD1  LEU  27          3HD1      LEU  27  12.003   3.266   0.946
  161   1HD2  LEU  27          1HD2      LEU  27  10.051   4.814  -2.329
  162   2HD2  LEU  27          2HD2      LEU  27  10.816   5.735  -1.012
  163   3HD2  LEU  27          3HD2      LEU  27  11.796   4.645  -2.021
  164    HA   PRO  28           HA       PRO  28   4.981   1.075  -2.848
  165   1HB   PRO  28          1HB       PRO  28   4.956   1.122  -5.593
  166   2HB   PRO  28          2HB       PRO  28   4.238   2.407  -4.564
  167   1HG   PRO  28          1HG       PRO  28   6.894   2.347  -5.996
  168   2HG   PRO  28          2HG       PRO  28   5.822   3.740  -5.627
  169   1HD   PRO  28          1HD       PRO  28   8.145   3.121  -4.205
  170   2HD   PRO  28          2HD       PRO  28   6.772   4.068  -3.536
  171    H    VAL  29           H        VAL  29   6.157  -0.725  -1.833
  172    HA   VAL  29           HA       VAL  29   6.970  -2.601  -3.945
  173    HB   VAL  29           HB       VAL  29   8.504  -3.572  -2.283
  174   1HG1  VAL  29          1HG1      VAL  29  10.124  -1.594  -2.229
  175   2HG1  VAL  29          2HG1      VAL  29   9.517  -2.095  -3.826
  176   3HG1  VAL  29          3HG1      VAL  29   8.837  -0.658  -3.026
  177   1HG2  VAL  29          1HG2      VAL  29   8.932  -2.626  -0.171
  178   2HG2  VAL  29          2HG2      VAL  29   8.059  -1.126  -0.565
  179   3HG2  VAL  29          3HG2      VAL  29   7.157  -2.637  -0.301
  Start of MODEL   17
    1    H    CYS   1           H        CYS   1   4.163  -2.021  -2.998
    2    HA   CYS   1           HA       CYS   1   3.903  -4.390  -1.321
    3   1HB   CYS   1          1HB       CYS   1   1.980  -2.138  -1.929
    4   2HB   CYS   1          2HB       CYS   1   1.554  -3.564  -1.003
    5    H    GLY   2           H        GLY   2   2.948  -2.862  -4.433
    6   1HA   GLY   2          1HA       GLY   2   2.473  -3.933  -6.397
    7   2HA   GLY   2          2HA       GLY   2   2.415  -5.474  -5.565
    8    H    GLU   3           H        GLU   3   0.591  -3.826  -3.485
    9    HA   GLU   3           HA       GLU   3  -1.825  -4.460  -4.964
   10   1HB   GLU   3          1HB       GLU   3  -2.914  -4.697  -2.819
   11   2HB   GLU   3          2HB       GLU   3  -1.392  -5.561  -2.735
   12   1HG   GLU   3          1HG       GLU   3  -0.355  -3.485  -1.677
   13   2HG   GLU   3          2HG       GLU   3  -1.954  -2.770  -1.630
   14    H    THR   4           H        THR   4  -3.808  -2.986  -4.186
   15    HA   THR   4           HA       THR   4  -2.886  -0.198  -4.042
   16    HB   THR   4           HB       THR   4  -4.703   0.303  -5.746
   17    HG1  THR   4           1HG      THR   4  -6.033  -1.499  -5.760
   18   1HG2  THR   4          1HG2      THR   4  -2.782   0.171  -7.044
   19   2HG2  THR   4          2HG2      THR   4  -2.288  -1.380  -6.325
   20   3HG2  THR   4          3HG2      THR   4  -3.530  -1.345  -7.599
   21    H    CYS   5           H        CYS   5  -4.155   1.218  -2.850
   22    HA   CYS   5           HA       CYS   5  -6.037  -0.164  -1.120
   23   1HB   CYS   5          1HB       CYS   5  -5.747   1.582   0.431
   24   2HB   CYS   5          2HB       CYS   5  -4.151   1.164  -0.161
   25    H    VAL   6           H        VAL   6  -7.143  -0.014  -3.580
   26    HA   VAL   6           HA       VAL   6  -8.313   2.398  -4.317
   27    HB   VAL   6           HB       VAL   6  -8.868  -0.505  -4.814
   28   1HG1  VAL   6          1HG1      VAL   6 -10.661   1.817  -5.513
   29   2HG1  VAL   6          2HG1      VAL   6 -10.574   0.381  -6.561
   30   3HG1  VAL   6          3HG1      VAL   6 -11.089   0.216  -4.865
   31   1HG2  VAL   6          1HG2      VAL   6  -7.122   0.175  -6.163
   32   2HG2  VAL   6          2HG2      VAL   6  -8.513   0.487  -7.229
   33   3HG2  VAL   6          3HG2      VAL   6  -7.754   1.830  -6.340
   34    H    GLY   7           H        GLY   7  -9.026   0.135  -1.723
   35   1HA   GLY   7          1HA       GLY   7 -11.741   1.069  -1.349
   36   2HA   GLY   7          2HA       GLY   7 -10.851  -0.075  -0.363
   37    H    GLY   8           H        GLY   8  -8.428   1.678  -0.060
   38   1HA   GLY   8          1HA       GLY   8  -8.305   4.026   0.767
   39   2HA   GLY   8          2HA       GLY   8  -9.610   3.598   1.856
   40    H    THR   9           H        THR   9  -8.165   0.720   1.804
   41    HA   THR   9           HA       THR   9  -6.006   1.438   3.664
   42    HB   THR   9           HB       THR   9  -6.973  -0.713   4.924
   43    HG1  THR   9           1HG      THR   9  -9.267   0.537   3.593
   44   1HG2  THR   9          1HG2      THR   9  -8.477   0.707   6.278
   45   2HG2  THR   9          2HG2      THR   9  -7.004   1.628   5.889
   46   3HG2  THR   9          3HG2      THR   9  -8.510   1.937   4.992
   47    H    CYS  10           H        CYS  10  -4.488  -0.411   4.067
   48    HA   CYS  10           HA       CYS  10  -4.195  -1.860   1.544
   49   1HB   CYS  10          1HB       CYS  10  -2.155  -0.992   3.595
   50   2HB   CYS  10          2HB       CYS  10  -1.795  -2.109   2.293
   51    H    ASN  11           H        ASN  11  -3.895  -4.147   1.609
   52    HA   ASN  11           HA       ASN  11  -4.829  -5.325   4.052
   53   1HB   ASN  11          1HB       ASN  11  -5.739  -6.059   1.833
   54   2HB   ASN  11          2HB       ASN  11  -4.137  -6.564   1.336
   55   1HD2  ASN  11          1HD2      ASN  11  -6.114  -8.355   1.233
   56   2HD2  ASN  11          2HD2      ASN  11  -5.966  -9.567   2.462
   57    H    THR  12           H        THR  12  -1.942  -5.191   1.906
   58    HA   THR  12           HA       THR  12  -0.480  -7.223   3.236
   59    HB   THR  12           HB       THR  12   0.237  -4.916   1.359
   60    HG1  THR  12           1HG      THR  12   0.277  -6.800  -0.079
   61   1HG2  THR  12          1HG2      THR  12   2.420  -5.807   1.115
   62   2HG2  THR  12          2HG2      THR  12   2.178  -5.918   2.875
   63   3HG2  THR  12          3HG2      THR  12   1.967  -7.362   1.855
   64    HA   PRO  13           HA       PRO  13   0.551  -5.329   6.781
   65   1HB   PRO  13          1HB       PRO  13   2.739  -6.767   7.605
   66   2HB   PRO  13          2HB       PRO  13   1.049  -7.366   7.714
   67   1HG   PRO  13          1HG       PRO  13   3.179  -7.980   5.668
   68   2HG   PRO  13          2HG       PRO  13   1.847  -9.016   6.281
   69   1HD   PRO  13          1HD       PRO  13   1.814  -7.705   3.815
   70   2HD   PRO  13          2HD       PRO  13   0.341  -8.211   4.711
   71    H    GLY  14           H        GLY  14   1.352  -3.415   7.465
   72   1HA   GLY  14          1HA       GLY  14   2.905  -1.788   7.742
   73   2HA   GLY  14          2HA       GLY  14   4.119  -2.812   7.001
   74    H    CYS  15           H        CYS  15   1.198  -2.556   5.135
   75    HA   CYS  15           HA       CYS  15   2.627  -0.862   3.255
   76   1HB   CYS  15          1HB       CYS  15   0.277  -2.729   2.999
   77   2HB   CYS  15          2HB       CYS  15   0.655  -1.557   1.752
   78    H    THR  16           H        THR  16   1.992   1.259   2.894
   79    HA   THR  16           HA       THR  16  -0.289   2.210   4.453
   80    HB   THR  16           HB       THR  16   0.790   4.456   3.851
   81    HG1  THR  16           1HG      THR  16   3.062   3.984   2.975
   82   1HG2  THR  16          1HG2      THR  16   2.817   2.469   4.988
   83   2HG2  THR  16          2HG2      THR  16   2.718   4.216   5.311
   84   3HG2  THR  16          3HG2      THR  16   1.469   3.120   5.950
   85    H    CYS  17           H        CYS  17  -1.981   3.470   3.571
   86    HA   CYS  17           HA       CYS  17  -2.664   2.599   0.932
   87   1HB   CYS  17          1HB       CYS  17  -4.425   2.579   2.497
   88   2HB   CYS  17          2HB       CYS  17  -4.077   4.205   3.051
   89    H    SER  18           H        SER  18  -1.208   3.640  -0.519
   90    HA   SER  18           HA       SER  18  -1.318   6.541  -0.472
   91   1HB   SER  18          1HB       SER  18   0.656   6.545  -1.790
   92   2HB   SER  18          2HB       SER  18   0.905   5.246  -0.639
   93    HG   SER  18           HG       SER  18   1.202   4.988  -3.188
   94    H    TRP  19           H        TRP  19  -3.702   6.184  -1.167
   95    HA   TRP  19           HA       TRP  19  -4.633   4.819  -3.238
   96   1HB   TRP  19          1HB       TRP  19  -5.583   6.839  -1.673
   97   2HB   TRP  19          2HB       TRP  19  -5.579   7.610  -3.247
   98    HD1  TRP  19           HD       TRP  19  -7.298   4.729  -1.357
   99    HE1  TRP  19           1HE      TRP  19  -9.460   3.906  -2.626
  100    HE3  TRP  19           3HE      TRP  19  -6.525   7.492  -5.556
  101    HZ2  TRP  19           2HZ      TRP  19 -10.580   4.489  -5.185
  102    HZ3  TRP  19           3HZ      TRP  19  -8.201   7.307  -7.392
  103    HH2  TRP  19           HH       TRP  19 -10.173   5.870  -7.256
  104    HA   PRO  20           HA       PRO  20  -5.712   4.741  -4.791
  105   1HB   PRO  20          1HB       PRO  20  -5.689   3.485  -7.218
  106   2HB   PRO  20          2HB       PRO  20  -6.649   4.913  -6.887
  107   1HG   PRO  20          1HG       PRO  20  -4.145   4.683  -8.440
  108   2HG   PRO  20          2HG       PRO  20  -5.327   5.976  -8.449
  109   1HD   PRO  20          1HD       PRO  20  -2.769   5.998  -7.152
  110   2HD   PRO  20          2HD       PRO  20  -3.999   7.244  -7.065
  111    H    VAL  21           H        VAL  21  -2.442   4.324  -5.343
  112    HA   VAL  21           HA       VAL  21  -2.659   1.421  -5.151
  113    HB   VAL  21           HB       VAL  21  -1.280   2.744  -6.891
  114   1HG1  VAL  21          1HG1      VAL  21  -0.205   4.197  -5.115
  115   2HG1  VAL  21          2HG1      VAL  21   0.749   2.771  -4.640
  116   3HG1  VAL  21          3HG1      VAL  21   0.914   3.446  -6.279
  117   1HG2  VAL  21          1HG2      VAL  21  -0.426   0.724  -7.294
  118   2HG2  VAL  21          2HG2      VAL  21   0.648   0.848  -5.879
  119   3HG2  VAL  21          3HG2      VAL  21  -1.000   0.203  -5.691
  120    H    CYS  22           H        CYS  22  -0.695   0.454  -3.777
  121    HA   CYS  22           HA       CYS  22  -0.955   1.741  -1.172
  122   1HB   CYS  22          1HB       CYS  22  -0.654  -1.069  -2.093
  123   2HB   CYS  22          2HB       CYS  22   0.133  -0.643  -0.586
  124    H    THR  23           H        THR  23   1.139   1.366   0.257
  125    HA   THR  23           HA       THR  23   3.572   1.472  -1.351
  126    HB   THR  23           HB       THR  23   4.119   3.572   0.200
  127    HG1  THR  23           1HG      THR  23   2.254   4.359   1.128
  128   1HG2  THR  23          1HG2      THR  23   4.035   4.082  -2.125
  129   2HG2  THR  23          2HG2      THR  23   2.352   3.520  -2.276
  130   3HG2  THR  23          3HG2      THR  23   2.706   5.063  -1.462
  131    H    ARG  24           H        ARG  24   5.556   1.547   0.162
  132    HA   ARG  24           HA       ARG  24   4.943   0.261   2.670
  133   1HB   ARG  24          1HB       ARG  24   5.284  -1.714   1.391
  134   2HB   ARG  24          2HB       ARG  24   6.511  -0.971   0.384
  135   1HG   ARG  24          1HG       ARG  24   8.202  -1.424   1.872
  136   2HG   ARG  24          2HG       ARG  24   7.218  -1.034   3.269
  137   1HD   ARG  24          1HD       ARG  24   6.239  -3.209   3.350
  138   2HD   ARG  24          2HD       ARG  24   6.665  -3.568   1.689
  139    HE   ARG  24           HE       ARG  24   8.998  -3.083   3.394
  140   1HH1  ARG  24          2HH2      ARG  24   6.707  -5.505   2.267
  141   2HH1  ARG  24          1HH2      ARG  24   7.767  -6.838   2.581
  142   1HH2  ARG  24          2HH1      ARG  24  10.396  -4.842   3.809
  143   2HH2  ARG  24          1HH1      ARG  24   9.879  -6.458   3.464
  144    H    ASN  25           H        ASN  25   6.099   1.384   4.205
  145    HA   ASN  25           HA       ASN  25   7.644   2.557   5.171
  146   1HB   ASN  25          1HB       ASN  25   9.350   1.060   3.145
  147   2HB   ASN  25          2HB       ASN  25  10.096   2.265   4.176
  148   1HD2  ASN  25          1HD2      ASN  25  10.231  -0.735   3.972
  149   2HD2  ASN  25          2HD2      ASN  25   9.985  -1.328   5.581
  150    H    GLY  26           H        GLY  26   6.195   3.515   2.620
  151   1HA   GLY  26          1HA       GLY  26   6.090   5.622   1.721
  152   2HA   GLY  26          2HA       GLY  26   7.715   5.965   2.281
  153    H    LEU  27           H        LEU  27   7.204   2.899   0.630
  154    HA   LEU  27           HA       LEU  27   7.974   4.030  -1.930
  155   1HB   LEU  27          1HB       LEU  27   9.629   1.857  -0.657
  156   2HB   LEU  27          2HB       LEU  27   9.911   2.666  -2.185
  157    HG   LEU  27           HG       LEU  27   9.932   4.193   0.417
  158   1HD1  LEU  27          1HD1      LEU  27  11.730   3.079   1.096
  159   2HD1  LEU  27          2HD1      LEU  27  11.822   2.164  -0.428
  160   3HD1  LEU  27          3HD1      LEU  27  12.597   3.761  -0.300
  161   1HD2  LEU  27          1HD2      LEU  27  10.621   5.948  -0.786
  162   2HD2  LEU  27          2HD2      LEU  27  11.738   4.966  -1.764
  163   3HD2  LEU  27          3HD2      LEU  27  10.012   5.041  -2.192
  164    HA   PRO  28           HA       PRO  28   4.948   1.238  -2.839
  165   1HB   PRO  28          1HB       PRO  28   4.908   1.423  -5.578
  166   2HB   PRO  28          2HB       PRO  28   4.162   2.635  -4.482
  167   1HG   PRO  28          1HG       PRO  28   6.811   2.718  -5.925
  168   2HG   PRO  28          2HG       PRO  28   5.705   4.062  -5.482
  169   1HD   PRO  28          1HD       PRO  28   8.051   3.433  -4.102
  170   2HD   PRO  28          2HD       PRO  28   6.658   4.308  -3.381
  171    H    VAL  29           H        VAL  29   5.960  -0.655  -1.958
  172    HA   VAL  29           HA       VAL  29   6.807  -2.401  -4.157
  173    HB   VAL  29           HB       VAL  29   8.483  -3.379  -2.640
  174   1HG1  VAL  29          1HG1      VAL  29   9.755  -2.034  -3.905
  175   2HG1  VAL  29          2HG1      VAL  29   8.582  -0.698  -3.815
  176   3HG1  VAL  29          3HG1      VAL  29   9.771  -0.927  -2.510
  177   1HG2  VAL  29          1HG2      VAL  29   9.075  -2.434  -0.554
  178   2HG2  VAL  29          2HG2      VAL  29   8.085  -0.982  -0.836
  179   3HG2  VAL  29          3HG2      VAL  29   7.299  -2.550  -0.532
  Start of MODEL   18
    1    H    CYS   1           H        CYS   1   4.372  -1.888  -2.985
    2    HA   CYS   1           HA       CYS   1   4.022  -4.245  -1.308
    3   1HB   CYS   1          1HB       CYS   1   2.262  -1.860  -1.874
    4   2HB   CYS   1          2HB       CYS   1   1.672  -3.295  -1.060
    5    H    GLY   2           H        GLY   2   2.426  -2.539  -4.110
    6   1HA   GLY   2          1HA       GLY   2   2.038  -3.579  -6.181
    7   2HA   GLY   2          2HA       GLY   2   2.071  -5.152  -5.410
    8    H    GLU   3           H        GLU   3   0.384  -4.049  -3.078
    9    HA   GLU   3           HA       GLU   3  -2.102  -4.679  -4.301
   10   1HB   GLU   3          1HB       GLU   3  -1.774  -5.588  -2.126
   11   2HB   GLU   3          2HB       GLU   3  -1.204  -4.066  -1.471
   12   1HG   GLU   3          1HG       GLU   3  -3.380  -3.127  -1.387
   13   2HG   GLU   3          2HG       GLU   3  -4.015  -4.234  -2.588
   14    H    THR   4           H        THR   4  -4.035  -3.314  -4.281
   15    HA   THR   4           HA       THR   4  -3.339  -0.452  -4.296
   16    HB   THR   4           HB       THR   4  -5.183  -0.293  -5.988
   17    HG1  THR   4           1HG      THR   4  -6.422  -2.122  -5.238
   18   1HG2  THR   4          1HG2      THR   4  -4.135  -2.277  -7.568
   19   2HG2  THR   4          2HG2      THR   4  -3.344  -0.698  -7.344
   20   3HG2  THR   4          3HG2      THR   4  -2.822  -2.099  -6.379
   21    H    CYS   5           H        CYS   5  -4.355   0.930  -2.957
   22    HA   CYS   5           HA       CYS   5  -6.352  -0.275  -1.215
   23   1HB   CYS   5          1HB       CYS   5  -5.847   1.383   0.372
   24   2HB   CYS   5          2HB       CYS   5  -4.313   0.810  -0.252
   25    H    VAL   6           H        VAL   6  -7.428   0.068  -3.682
   26    HA   VAL   6           HA       VAL   6  -8.324   2.619  -4.335
   27    HB   VAL   6           HB       VAL   6  -9.227  -0.183  -4.923
   28   1HG1  VAL   6          1HG1      VAL   6 -10.555   2.342  -5.970
   29   2HG1  VAL   6          2HG1      VAL   6 -10.899   0.675  -6.493
   30   3HG1  VAL   6          3HG1      VAL   6 -11.277   1.182  -4.829
   31   1HG2  VAL   6          1HG2      VAL   6  -7.338   0.319  -6.182
   32   2HG2  VAL   6          2HG2      VAL   6  -8.659   0.746  -7.296
   33   3HG2  VAL   6          3HG2      VAL   6  -7.804   2.023  -6.398
   34    H    GLY   7           H        GLY   7  -9.282   0.362  -1.818
   35   1HA   GLY   7          1HA       GLY   7 -11.886   1.561  -1.414
   36   2HA   GLY   7          2HA       GLY   7 -11.122   0.303  -0.464
   37    H    GLY   8           H        GLY   8  -8.524   1.853  -0.179
   38   1HA   GLY   8          1HA       GLY   8  -8.084   4.057   0.753
   39   2HA   GLY   8          2HA       GLY   8  -9.515   3.870   1.747
   40    H    THR   9           H        THR   9  -7.763   0.906   1.273
   41    HA   THR   9           HA       THR   9  -6.023   1.307   3.553
   42    HB   THR   9           HB       THR   9  -7.938   0.722   4.834
   43    HG1  THR   9           1HG      THR   9  -7.434  -1.544   5.327
   44   1HG2  THR   9          1HG2      THR   9  -8.911  -1.693   3.620
   45   2HG2  THR   9          2HG2      THR   9  -9.790  -0.160   3.831
   46   3HG2  THR   9          3HG2      THR   9  -8.859  -0.455   2.343
   47    H    CYS  10           H        CYS  10  -4.707  -0.730   3.984
   48    HA   CYS  10           HA       CYS  10  -4.343  -2.127   1.433
   49   1HB   CYS  10          1HB       CYS  10  -2.213  -1.145   3.342
   50   2HB   CYS  10          2HB       CYS  10  -1.915  -2.229   1.998
   51    H    ASN  11           H        ASN  11  -3.861  -4.394   1.621
   52    HA   ASN  11           HA       ASN  11  -4.678  -5.468   4.158
   53   1HB   ASN  11          1HB       ASN  11  -5.360  -6.242   1.689
   54   2HB   ASN  11          2HB       ASN  11  -3.863  -7.150   1.764
   55   1HD2  ASN  11          1HD2      ASN  11  -6.615  -8.076   1.640
   56   2HD2  ASN  11          2HD2      ASN  11  -6.891  -9.089   3.017
   57    H    THR  12           H        THR  12  -1.915  -5.529   1.814
   58    HA   THR  12           HA       THR  12  -0.301  -7.352   3.176
   59    HB   THR  12           HB       THR  12   0.289  -5.011   1.295
   60    HG1  THR  12           1HG      THR  12  -1.050  -6.986   0.701
   61   1HG2  THR  12          1HG2      THR  12   2.475  -5.883   0.957
   62   2HG2  THR  12          2HG2      THR  12   2.298  -5.974   2.725
   63   3HG2  THR  12          3HG2      THR  12   2.073  -7.434   1.732
   64    HA   PRO  13           HA       PRO  13   0.715  -5.394   6.691
   65   1HB   PRO  13          1HB       PRO  13   2.978  -6.736   7.478
   66   2HB   PRO  13          2HB       PRO  13   1.316  -7.402   7.626
   67   1HG   PRO  13          1HG       PRO  13   3.428  -7.943   5.539
   68   2HG   PRO  13          2HG       PRO  13   2.153  -9.028   6.186
   69   1HD   PRO  13          1HD       PRO  13   2.015  -7.735   3.714
   70   2HD   PRO  13          2HD       PRO  13   0.583  -8.296   4.642
   71    H    GLY  14           H        GLY  14   1.512  -3.489   7.435
   72   1HA   GLY  14          1HA       GLY  14   3.003  -1.801   7.660
   73   2HA   GLY  14          2HA       GLY  14   4.220  -2.767   6.850
   74    H    CYS  15           H        CYS  15   1.323  -2.722   5.011
   75    HA   CYS  15           HA       CYS  15   2.566  -0.867   3.163
   76   1HB   CYS  15          1HB       CYS  15   0.303  -2.846   2.895
   77   2HB   CYS  15          2HB       CYS  15   0.682  -1.673   1.649
   78    H    THR  16           H        THR  16   1.842   1.234   2.974
   79    HA   THR  16           HA       THR  16  -0.546   1.953   4.499
   80    HB   THR  16           HB       THR  16   0.473   4.312   3.897
   81    HG1  THR  16           1HG      THR  16   1.870   3.245   2.232
   82   1HG2  THR  16          1HG2      THR  16   0.811   2.864   6.117
   83   2HG2  THR  16          2HG2      THR  16   2.440   2.604   5.448
   84   3HG2  THR  16          3HG2      THR  16   1.874   4.255   5.797
   85    H    CYS  17           H        CYS  17  -2.160   3.410   3.595
   86    HA   CYS  17           HA       CYS  17  -2.830   2.541   0.952
   87   1HB   CYS  17          1HB       CYS  17  -4.551   2.669   2.650
   88   2HB   CYS  17          2HB       CYS  17  -4.237   4.374   2.902
   89    H    SER  18           H        SER  18  -1.189   3.503  -0.396
   90    HA   SER  18           HA       SER  18  -1.183   6.399  -0.413
   91   1HB   SER  18          1HB       SER  18   0.630   4.248  -1.449
   92   2HB   SER  18          2HB       SER  18   0.568   5.729  -2.382
   93    HG   SER  18           HG       SER  18   0.840   5.983   0.443
   94    H    TRP  19           H        TRP  19  -3.573   6.159  -1.156
   95    HA   TRP  19           HA       TRP  19  -4.535   4.831  -3.232
   96   1HB   TRP  19          1HB       TRP  19  -5.415   6.900  -1.709
   97   2HB   TRP  19          2HB       TRP  19  -5.304   7.682  -3.273
   98    HD1  TRP  19           HD       TRP  19  -7.279   4.916  -1.468
   99    HE1  TRP  19           1HE      TRP  19  -9.439   4.238  -2.823
  100    HE3  TRP  19           3HE      TRP  19  -6.161   7.624  -5.625
  101    HZ2  TRP  19           2HZ      TRP  19 -10.416   4.895  -5.423
  102    HZ3  TRP  19           3HZ      TRP  19  -7.771   7.551  -7.526
  103    HH2  TRP  19           HH       TRP  19  -9.838   6.247  -7.472
  104    HA   PRO  20           HA       PRO  20  -5.584   4.797  -4.809
  105   1HB   PRO  20          1HB       PRO  20  -5.579   3.506  -7.217
  106   2HB   PRO  20          2HB       PRO  20  -6.461   4.992  -6.929
  107   1HG   PRO  20          1HG       PRO  20  -3.938   4.592  -8.418
  108   2HG   PRO  20          2HG       PRO  20  -5.042   5.953  -8.473
  109   1HD   PRO  20          1HD       PRO  20  -2.518   5.844  -7.114
  110   2HD   PRO  20          2HD       PRO  20  -3.674   7.161  -7.074
  111    H    VAL  21           H        VAL  21  -2.333   4.184  -5.265
  112    HA   VAL  21           HA       VAL  21  -2.740   1.302  -4.989
  113    HB   VAL  21           HB       VAL  21  -0.205   1.367  -5.479
  114   1HG1  VAL  21          1HG1      VAL  21  -0.759   1.772  -7.995
  115   2HG1  VAL  21          2HG1      VAL  21  -1.540   0.423  -7.135
  116   3HG1  VAL  21          3HG1      VAL  21  -2.436   1.934  -7.421
  117   1HG2  VAL  21          1HG2      VAL  21  -0.226   3.944  -5.109
  118   2HG2  VAL  21          2HG2      VAL  21   0.744   3.266  -6.438
  119   3HG2  VAL  21          3HG2      VAL  21  -0.836   4.011  -6.780
  120    H    CYS  22           H        CYS  22  -0.667   0.339  -3.663
  121    HA   CYS  22           HA       CYS  22  -0.881   1.678  -1.080
  122   1HB   CYS  22          1HB       CYS  22  -0.241  -1.168  -1.852
  123   2HB   CYS  22          2HB       CYS  22   0.021  -0.549  -0.233
  124    H    THR  23           H        THR  23   1.268   1.262   0.307
  125    HA   THR  23           HA       THR  23   3.671   1.291  -1.308
  126    HB   THR  23           HB       THR  23   4.197   3.563   0.042
  127    HG1  THR  23           1HG      THR  23   2.263   4.559   0.618
  128   1HG2  THR  23          1HG2      THR  23   3.477   4.877  -1.879
  129   2HG2  THR  23          2HG2      THR  23   4.022   3.305  -2.511
  130   3HG2  THR  23          3HG2      THR  23   2.283   3.641  -2.343
  131    H    ARG  24           H        ARG  24   5.654   1.274   0.053
  132    HA   ARG  24           HA       ARG  24   5.023   0.328   2.726
  133   1HB   ARG  24          1HB       ARG  24   5.446  -1.719   1.563
  134   2HB   ARG  24          2HB       ARG  24   6.727  -1.015   0.596
  135   1HG   ARG  24          1HG       ARG  24   8.296  -1.091   2.358
  136   2HG   ARG  24          2HG       ARG  24   7.060  -1.097   3.601
  137   1HD   ARG  24          1HD       ARG  24   6.745  -3.387   3.479
  138   2HD   ARG  24          2HD       ARG  24   6.986  -3.439   1.744
  139    HE   ARG  24           HE       ARG  24   9.498  -2.776   2.801
  140   1HH1  ARG  24          2HH2      ARG  24   7.225  -5.439   3.149
  141   2HH1  ARG  24          1HH2      ARG  24   8.453  -6.612   3.490
  142   1HH2  ARG  24          2HH1      ARG  24  11.120  -4.323   3.250
  143   2HH2  ARG  24          1HH1      ARG  24  10.684  -5.972   3.548
  144    H    ASN  25           H        ASN  25   6.146   1.543   4.218
  145    HA   ASN  25           HA       ASN  25   7.627   2.845   5.115
  146   1HB   ASN  25          1HB       ASN  25   9.136   0.823   4.467
  147   2HB   ASN  25          2HB       ASN  25   9.699   1.800   3.125
  148   1HD2  ASN  25          1HD2      ASN  25  10.773   0.744   5.826
  149   2HD2  ASN  25          2HD2      ASN  25  11.617   2.093   6.510
  150    H    GLY  26           H        GLY  26   6.113   3.724   2.670
  151   1HA   GLY  26          1HA       GLY  26   5.967   5.672   1.524
  152   2HA   GLY  26          2HA       GLY  26   7.520   6.169   2.164
  153    H    LEU  27           H        LEU  27   7.266   2.999   0.619
  154    HA   LEU  27           HA       LEU  27   8.241   4.085  -1.900
  155   1HB   LEU  27          1HB       LEU  27   9.738   1.910  -0.443
  156   2HB   LEU  27          2HB       LEU  27  10.171   2.684  -1.954
  157    HG   LEU  27           HG       LEU  27   9.961   4.305   0.575
  158   1HD1  LEU  27          1HD1      LEU  27  12.011   3.707   1.377
  159   2HD1  LEU  27          2HD1      LEU  27  11.498   2.148   0.689
  160   3HD1  LEU  27          3HD1      LEU  27  12.617   3.195  -0.216
  161   1HD2  LEU  27          1HD2      LEU  27  10.875   5.964  -0.614
  162   2HD2  LEU  27          2HD2      LEU  27  12.065   4.888  -1.386
  163   3HD2  LEU  27          3HD2      LEU  27  10.413   5.005  -2.040
  164    HA   PRO  28           HA       PRO  28   5.274   1.323  -3.052
  165   1HB   PRO  28          1HB       PRO  28   5.505   1.453  -5.785
  166   2HB   PRO  28          2HB       PRO  28   4.679   2.699  -4.790
  167   1HG   PRO  28          1HG       PRO  28   7.457   2.708  -5.968
  168   2HG   PRO  28          2HG       PRO  28   6.339   4.079  -5.661
  169   1HD   PRO  28          1HD       PRO  28   8.526   3.438  -4.045
  170   2HD   PRO  28          2HD       PRO  28   7.086   4.352  -3.481
  171    H    VAL  29           H        VAL  29   6.042  -0.607  -2.083
  172    HA   VAL  29           HA       VAL  29   7.039  -2.420  -4.145
  173    HB   VAL  29           HB       VAL  29   8.640  -3.365  -2.523
  174   1HG1  VAL  29          1HG1      VAL  29   9.155  -0.413  -3.003
  175   2HG1  VAL  29          2HG1      VAL  29  10.357  -1.716  -2.841
  176   3HG1  VAL  29          3HG1      VAL  29   9.284  -1.666  -4.260
  177   1HG2  VAL  29          1HG2      VAL  29   7.488  -2.516  -0.471
  178   2HG2  VAL  29          2HG2      VAL  29   9.240  -2.203  -0.496
  179   3HG2  VAL  29          3HG2      VAL  29   8.095  -0.888  -0.855
  Start of MODEL   19
    1    H    CYS   1           H        CYS   1   4.399  -1.885  -2.901
    2    HA   CYS   1           HA       CYS   1   3.969  -4.271  -1.285
    3   1HB   CYS   1          1HB       CYS   1   2.220  -1.882  -1.884
    4   2HB   CYS   1          2HB       CYS   1   1.635  -3.318  -1.067
    5    H    GLY   2           H        GLY   2   2.485  -2.497  -4.107
    6   1HA   GLY   2          1HA       GLY   2   2.047  -3.409  -6.190
    7   2HA   GLY   2          2HA       GLY   2   2.263  -5.027  -5.552
    8    H    GLU   3           H        GLU   3   0.397  -3.159  -3.369
    9    HA   GLU   3           HA       GLU   3  -1.986  -4.477  -4.374
   10   1HB   GLU   3          1HB       GLU   3  -1.305  -3.309  -1.642
   11   2HB   GLU   3          2HB       GLU   3  -2.884  -3.951  -2.049
   12   1HG   GLU   3          1HG       GLU   3  -1.810  -6.156  -2.630
   13   2HG   GLU   3          2HG       GLU   3  -0.256  -5.506  -2.148
   14    H    THR   4           H        THR   4  -4.119  -3.205  -4.001
   15    HA   THR   4           HA       THR   4  -3.648  -0.357  -4.594
   16    HB   THR   4           HB       THR   4  -5.709  -0.625  -6.093
   17    HG1  THR   4           1HG      THR   4  -6.332  -2.837  -6.424
   18   1HG2  THR   4          1HG2      THR   4  -4.290  -1.027  -7.839
   19   2HG2  THR   4          2HG2      THR   4  -3.019  -1.389  -6.647
   20   3HG2  THR   4          3HG2      THR   4  -4.033  -2.701  -7.292
   21    H    CYS   5           H        CYS   5  -4.327   0.904  -2.988
   22    HA   CYS   5           HA       CYS   5  -6.337  -0.160  -1.200
   23   1HB   CYS   5          1HB       CYS   5  -5.712   1.505   0.321
   24   2HB   CYS   5          2HB       CYS   5  -4.218   0.929  -0.392
   25    H    VAL   6           H        VAL   6  -7.479   0.162  -3.665
   26    HA   VAL   6           HA       VAL   6  -8.381   2.715  -4.305
   27    HB   VAL   6           HB       VAL   6  -9.351  -0.080  -4.842
   28   1HG1  VAL   6          1HG1      VAL   6 -10.836   1.127  -6.616
   29   2HG1  VAL   6          2HG1      VAL   6 -11.415   0.988  -4.939
   30   3HG1  VAL   6          3HG1      VAL   6 -10.714   2.520  -5.514
   31   1HG2  VAL   6          1HG2      VAL   6  -7.874   2.055  -6.369
   32   2HG2  VAL   6          2HG2      VAL   6  -7.457   0.342  -6.125
   33   3HG2  VAL   6          3HG2      VAL   6  -8.776   0.787  -7.234
   34    H    GLY   7           H        GLY   7  -9.275   0.476  -1.748
   35   1HA   GLY   7          1HA       GLY   7 -11.857   1.704  -1.273
   36   2HA   GLY   7          2HA       GLY   7 -11.085   0.430  -0.349
   37    H    GLY   8           H        GLY   8  -8.465   1.916  -0.106
   38   1HA   GLY   8          1HA       GLY   8  -7.949   4.112   0.816
   39   2HA   GLY   8          2HA       GLY   8  -9.366   3.961   1.836
   40    H    THR   9           H        THR   9  -7.736   0.940   1.342
   41    HA   THR   9           HA       THR   9  -5.919   1.289   3.570
   42    HB   THR   9           HB       THR   9  -8.047  -0.871   3.788
   43    HG1  THR   9           1HG      THR   9  -9.253   1.076   3.720
   44   1HG2  THR   9          1HG2      THR   9  -6.539   0.790   5.875
   45   2HG2  THR   9          2HG2      THR   9  -7.605  -0.599   6.197
   46   3HG2  THR   9          3HG2      THR   9  -6.052  -0.844   5.362
   47    H    CYS  10           H        CYS  10  -4.568  -0.675   3.925
   48    HA   CYS  10           HA       CYS  10  -4.375  -2.157   1.403
   49   1HB   CYS  10          1HB       CYS  10  -2.146  -1.218   3.220
   50   2HB   CYS  10          2HB       CYS  10  -1.932  -2.315   1.870
   51    H    ASN  11           H        ASN  11  -3.520  -4.413   1.676
   52    HA   ASN  11           HA       ASN  11  -4.487  -5.473   4.185
   53   1HB   ASN  11          1HB       ASN  11  -5.378  -6.512   2.133
   54   2HB   ASN  11          2HB       ASN  11  -3.760  -6.786   1.516
   55   1HD2  ASN  11          1HD2      ASN  11  -2.669  -8.561   2.052
   56   2HD2  ASN  11          2HD2      ASN  11  -3.201  -9.788   3.154
   57    H    THR  12           H        THR  12  -1.742  -5.956   1.824
   58    HA   THR  12           HA       THR  12  -0.105  -7.531   3.315
   59    HB   THR  12           HB       THR  12   0.441  -5.259   1.348
   60    HG1  THR  12           1HG      THR  12  -0.691  -7.463   0.950
   61   1HG2  THR  12          1HG2      THR  12   2.411  -7.479   1.985
   62   2HG2  THR  12          2HG2      THR  12   2.708  -5.921   1.177
   63   3HG2  THR  12          3HG2      THR  12   2.454  -5.976   2.938
   64    HA   PRO  13           HA       PRO  13   0.798  -5.486   6.812
   65   1HB   PRO  13          1HB       PRO  13   3.051  -6.786   7.688
   66   2HB   PRO  13          2HB       PRO  13   1.393  -7.467   7.806
   67   1HG   PRO  13          1HG       PRO  13   3.565  -8.031   5.789
   68   2HG   PRO  13          2HG       PRO  13   2.283  -9.115   6.426
   69   1HD   PRO  13          1HD       PRO  13   2.199  -7.878   3.923
   70   2HD   PRO  13          2HD       PRO  13   0.749  -8.433   4.825
   71    H    GLY  14           H        GLY  14   1.505  -3.520   7.457
   72   1HA   GLY  14          1HA       GLY  14   2.998  -1.828   7.714
   73   2HA   GLY  14          2HA       GLY  14   4.241  -2.793   6.943
   74    H    CYS  15           H        CYS  15   1.313  -2.752   5.107
   75    HA   CYS  15           HA       CYS  15   2.587  -0.954   3.217
   76   1HB   CYS  15          1HB       CYS  15   0.373  -2.983   2.992
   77   2HB   CYS  15          2HB       CYS  15   0.651  -1.790   1.739
   78    H    THR  16           H        THR  16   1.859   1.142   2.972
   79    HA   THR  16           HA       THR  16  -0.546   1.885   4.462
   80    HB   THR  16           HB       THR  16   0.443   4.221   4.010
   81    HG1  THR  16           1HG      THR  16   1.794   3.774   2.229
   82   1HG2  THR  16          1HG2      THR  16   1.009   2.852   6.119
   83   2HG2  THR  16          2HG2      THR  16   2.459   2.287   5.256
   84   3HG2  THR  16          3HG2      THR  16   2.257   4.018   5.619
   85    H    CYS  17           H        CYS  17  -2.117   3.376   3.506
   86    HA   CYS  17           HA       CYS  17  -2.745   2.470   0.859
   87   1HB   CYS  17          1HB       CYS  17  -4.545   2.572   2.405
   88   2HB   CYS  17          2HB       CYS  17  -4.172   4.223   2.856
   89    H    SER  18           H        SER  18  -1.206   3.416  -0.563
   90    HA   SER  18           HA       SER  18  -1.135   6.316  -0.544
   91   1HB   SER  18          1HB       SER  18   1.064   5.434  -0.704
   92   2HB   SER  18          2HB       SER  18   0.583   4.171  -1.819
   93    HG   SER  18           HG       SER  18   1.116   6.928  -2.317
   94    H    TRP  19           H        TRP  19  -3.547   6.081  -1.245
   95    HA   TRP  19           HA       TRP  19  -4.544   4.788  -3.326
   96   1HB   TRP  19          1HB       TRP  19  -5.436   6.774  -1.751
   97   2HB   TRP  19          2HB       TRP  19  -5.269   7.666  -3.251
   98    HD1  TRP  19           HD       TRP  19  -7.415   4.934  -1.646
   99    HE1  TRP  19           1HE      TRP  19  -9.525   4.359  -3.123
  100    HE3  TRP  19           3HE      TRP  19  -5.966   7.637  -5.702
  101    HZ2  TRP  19           2HZ      TRP  19 -10.333   5.083  -5.763
  102    HZ3  TRP  19           3HZ      TRP  19  -7.473   7.650  -7.687
  103    HH2  TRP  19           HH       TRP  19  -9.590   6.432  -7.760
  104    HA   PRO  20           HA       PRO  20  -5.588   4.741  -4.885
  105   1HB   PRO  20          1HB       PRO  20  -5.590   3.467  -7.303
  106   2HB   PRO  20          2HB       PRO  20  -6.490   4.939  -6.995
  107   1HG   PRO  20          1HG       PRO  20  -3.978   4.586  -8.513
  108   2HG   PRO  20          2HG       PRO  20  -5.101   5.930  -8.547
  109   1HD   PRO  20          1HD       PRO  20  -2.562   5.849  -7.215
  110   2HD   PRO  20          2HD       PRO  20  -3.737   7.148  -7.154
  111    H    VAL  21           H        VAL  21  -2.333   4.161  -5.437
  112    HA   VAL  21           HA       VAL  21  -2.693   1.276  -5.203
  113    HB   VAL  21           HB       VAL  21  -0.168   1.370  -5.647
  114   1HG1  VAL  21          1HG1      VAL  21  -2.032   0.779  -7.277
  115   2HG1  VAL  21          2HG1      VAL  21  -1.910   2.450  -7.877
  116   3HG1  VAL  21          3HG1      VAL  21  -0.510   1.357  -7.997
  117   1HG2  VAL  21          1HG2      VAL  21  -0.149   3.904  -5.104
  118   2HG2  VAL  21          2HG2      VAL  21   0.815   3.321  -6.482
  119   3HG2  VAL  21          3HG2      VAL  21  -0.755   4.111  -6.764
  120    H    CYS  22           H        CYS  22  -0.684   0.280  -3.843
  121    HA   CYS  22           HA       CYS  22  -0.957   1.551  -1.232
  122   1HB   CYS  22          1HB       CYS  22  -0.404  -1.272  -2.109
  123   2HB   CYS  22          2HB       CYS  22   0.000  -0.740  -0.489
  124    H    THR  23           H        THR  23   1.115   1.267   0.201
  125    HA   THR  23           HA       THR  23   3.576   1.283  -1.353
  126    HB   THR  23           HB       THR  23   4.081   3.513   0.029
  127    HG1  THR  23           1HG      THR  23   1.183   3.165  -0.207
  128   1HG2  THR  23          1HG2      THR  23   4.028   3.659  -2.400
  129   2HG2  THR  23          2HG2      THR  23   2.275   3.350  -2.435
  130   3HG2  THR  23          3HG2      THR  23   2.894   4.891  -1.795
  131    H    ARG  24           H        ARG  24   5.521   1.505   0.202
  132    HA   ARG  24           HA       ARG  24   4.837   0.408   2.784
  133   1HB   ARG  24          1HB       ARG  24   5.280  -1.644   1.666
  134   2HB   ARG  24          2HB       ARG  24   6.528  -0.941   0.657
  135   1HG   ARG  24          1HG       ARG  24   8.167  -1.235   2.242
  136   2HG   ARG  24          2HG       ARG  24   7.113  -0.780   3.567
  137   1HD   ARG  24          1HD       ARG  24   6.566  -2.953   4.027
  138   2HD   ARG  24          2HD       ARG  24   6.291  -3.335   2.339
  139    HE   ARG  24           HE       ARG  24   8.528  -4.061   2.137
  140   1HH1  ARG  24          2HH2      ARG  24   8.057  -2.425   5.217
  141   2HH1  ARG  24          1HH2      ARG  24   9.586  -2.923   5.861
  142   1HH2  ARG  24          2HH1      ARG  24  10.545  -4.719   2.986
  143   2HH2  ARG  24          1HH1      ARG  24  11.010  -4.237   4.583
  144    H    ASN  25           H        ASN  25   5.922   1.634   4.293
  145    HA   ASN  25           HA       ASN  25   7.394   2.920   5.228
  146   1HB   ASN  25          1HB       ASN  25   9.213   1.350   3.361
  147   2HB   ASN  25          2HB       ASN  25   9.887   2.637   4.341
  148   1HD2  ASN  25          1HD2      ASN  25  10.125  -0.358   4.333
  149   2HD2  ASN  25          2HD2      ASN  25   9.831  -0.861   5.964
  150    H    GLY  26           H        GLY  26   5.996   3.695   2.604
  151   1HA   GLY  26          1HA       GLY  26   5.866   5.693   1.514
  152   2HA   GLY  26          2HA       GLY  26   7.418   6.172   2.172
  153    H    LEU  27           H        LEU  27   7.112   2.998   0.633
  154    HA   LEU  27           HA       LEU  27   8.129   4.043  -1.881
  155   1HB   LEU  27          1HB       LEU  27   9.618   1.884  -0.396
  156   2HB   LEU  27          2HB       LEU  27  10.064   2.659  -1.903
  157    HG   LEU  27           HG       LEU  27   9.828   4.268   0.633
  158   1HD1  LEU  27          1HD1      LEU  27  11.324   2.720   1.450
  159   2HD1  LEU  27          2HD1      LEU  27  12.027   2.386  -0.151
  160   3HD1  LEU  27          3HD1      LEU  27  12.418   3.903   0.694
  161   1HD2  LEU  27          1HD2      LEU  27  10.014   5.351  -1.642
  162   2HD2  LEU  27          2HD2      LEU  27  11.253   5.819  -0.453
  163   3HD2  LEU  27          3HD2      LEU  27  11.652   4.662  -1.745
  164    HA   PRO  28           HA       PRO  28   5.176   1.262  -3.018
  165   1HB   PRO  28          1HB       PRO  28   5.439   1.339  -5.750
  166   2HB   PRO  28          2HB       PRO  28   4.603   2.605  -4.789
  167   1HG   PRO  28          1HG       PRO  28   7.395   2.586  -5.934
  168   2HG   PRO  28          2HG       PRO  28   6.276   3.965  -5.666
  169   1HD   PRO  28          1HD       PRO  28   8.443   3.352  -4.014
  170   2HD   PRO  28          2HD       PRO  28   6.998   4.279  -3.484
  171    H    VAL  29           H        VAL  29   6.127  -0.584  -1.935
  172    HA   VAL  29           HA       VAL  29   7.129  -2.446  -3.970
  173    HB   VAL  29           HB       VAL  29   8.672  -3.355  -2.316
  174   1HG1  VAL  29          1HG1      VAL  29   9.976  -0.970  -2.037
  175   2HG1  VAL  29          2HG1      VAL  29   9.976  -1.958  -3.518
  176   3HG1  VAL  29          3HG1      VAL  29   8.842  -0.595  -3.357
  177   1HG2  VAL  29          1HG2      VAL  29   9.010  -2.486  -0.164
  178   2HG2  VAL  29          2HG2      VAL  29   8.128  -0.982  -0.528
  179   3HG2  VAL  29          3HG2      VAL  29   7.239  -2.512  -0.340
  Start of MODEL   20
    1    H    CYS   1           H        CYS   1   4.191  -1.913  -3.052
    2    HA   CYS   1           HA       CYS   1   3.976  -4.232  -1.301
    3   1HB   CYS   1          1HB       CYS   1   2.114  -1.923  -1.866
    4   2HB   CYS   1          2HB       CYS   1   1.618  -3.345  -0.969
    5    H    GLY   2           H        GLY   2   2.660  -2.708  -4.313
    6   1HA   GLY   2          1HA       GLY   2   2.143  -3.841  -6.258
    7   2HA   GLY   2          2HA       GLY   2   2.132  -5.365  -5.393
    8    H    GLU   3           H        GLU   3   0.434  -4.156  -3.152
    9    HA   GLU   3           HA       GLU   3  -2.054  -4.687  -4.456
   10   1HB   GLU   3          1HB       GLU   3  -1.923  -5.737  -2.360
   11   2HB   GLU   3          2HB       GLU   3  -1.125  -4.373  -1.603
   12   1HG   GLU   3          1HG       GLU   3  -3.161  -3.097  -1.491
   13   2HG   GLU   3          2HG       GLU   3  -3.980  -4.146  -2.630
   14    H    THR   4           H        THR   4  -3.944  -3.246  -4.342
   15    HA   THR   4           HA       THR   4  -3.130  -0.419  -4.170
   16    HB   THR   4           HB       THR   4  -4.829  -0.046  -5.938
   17    HG1  THR   4           1HG      THR   4  -5.051  -2.961  -5.893
   18   1HG2  THR   4          1HG2      THR   4  -3.223  -0.642  -7.452
   19   2HG2  THR   4          2HG2      THR   4  -2.529  -1.813  -6.305
   20   3HG2  THR   4          3HG2      THR   4  -3.856  -2.304  -7.385
   21    H    CYS   5           H        CYS   5  -4.301   1.003  -2.948
   22    HA   CYS   5           HA       CYS   5  -6.292  -0.276  -1.247
   23   1HB   CYS   5          1HB       CYS   5  -5.876   1.393   0.361
   24   2HB   CYS   5          2HB       CYS   5  -4.314   0.844  -0.213
   25    H    VAL   6           H        VAL   6  -7.342   0.041  -3.711
   26    HA   VAL   6           HA       VAL   6  -8.270   2.573  -4.396
   27    HB   VAL   6           HB       VAL   6  -9.123  -0.247  -4.975
   28   1HG1  VAL   6          1HG1      VAL   6 -11.214   0.956  -4.975
   29   2HG1  VAL   6          2HG1      VAL   6 -10.504   2.282  -5.927
   30   3HG1  VAL   6          3HG1      VAL   6 -10.722   0.676  -6.663
   31   1HG2  VAL   6          1HG2      VAL   6  -7.221   0.268  -6.208
   32   2HG2  VAL   6          2HG2      VAL   6  -8.530   0.670  -7.346
   33   3HG2  VAL   6          3HG2      VAL   6  -7.705   1.965  -6.445
   34    H    GLY   7           H        GLY   7  -9.216   0.330  -1.866
   35   1HA   GLY   7          1HA       GLY   7 -11.846   1.494  -1.509
   36   2HA   GLY   7          2HA       GLY   7 -11.083   0.245  -0.546
   37    H    GLY   8           H        GLY   8  -8.512   1.801  -0.209
   38   1HA   GLY   8          1HA       GLY   8  -8.099   4.014   0.718
   39   2HA   GLY   8          2HA       GLY   8  -9.541   3.820   1.696
   40    H    THR   9           H        THR   9  -7.744   0.874   1.245
   41    HA   THR   9           HA       THR   9  -6.046   1.297   3.553
   42    HB   THR   9           HB       THR   9  -7.973   0.684   4.803
   43    HG1  THR   9           1HG      THR   9  -7.454  -1.589   5.287
   44   1HG2  THR   9          1HG2      THR   9  -8.841  -0.499   2.297
   45   2HG2  THR   9          2HG2      THR   9  -8.890  -1.745   3.567
   46   3HG2  THR   9          3HG2      THR   9  -9.796  -0.227   3.774
   47    H    CYS  10           H        CYS  10  -4.721  -0.736   4.007
   48    HA   CYS  10           HA       CYS  10  -4.304  -2.134   1.466
   49   1HB   CYS  10          1HB       CYS  10  -2.192  -1.112   3.376
   50   2HB   CYS  10          2HB       CYS  10  -1.880  -2.175   2.018
   51    H    ASN  11           H        ASN  11  -3.906  -4.391   1.666
   52    HA   ASN  11           HA       ASN  11  -4.641  -5.442   4.231
   53   1HB   ASN  11          1HB       ASN  11  -4.215  -6.643   1.460
   54   2HB   ASN  11          2HB       ASN  11  -4.422  -7.678   2.858
   55   1HD2  ASN  11          1HD2      ASN  11  -6.367  -8.522   2.525
   56   2HD2  ASN  11          2HD2      ASN  11  -7.851  -7.641   2.374
   57    H    THR  12           H        THR  12  -1.902  -5.389   1.882
   58    HA   THR  12           HA       THR  12  -0.261  -7.259   3.166
   59    HB   THR  12           HB       THR  12   0.285  -4.861   1.343
   60    HG1  THR  12           1HG      THR  12   0.203  -7.782   1.051
   61   1HG2  THR  12          1HG2      THR  12   2.475  -5.712   0.952
   62   2HG2  THR  12          2HG2      THR  12   2.322  -5.832   2.721
   63   3HG2  THR  12          3HG2      THR  12   2.096  -7.278   1.708
   64    HA   PRO  13           HA       PRO  13   0.771  -5.383   6.722
   65   1HB   PRO  13          1HB       PRO  13   3.055  -6.720   7.450
   66   2HB   PRO  13          2HB       PRO  13   1.403  -7.409   7.597
   67   1HG   PRO  13          1HG       PRO  13   3.499  -7.869   5.476
   68   2HG   PRO  13          2HG       PRO  13   2.242  -8.986   6.106
   69   1HD   PRO  13          1HD       PRO  13   2.065  -7.630   3.671
   70   2HD   PRO  13          2HD       PRO  13   0.649  -8.231   4.598
   71    H    GLY  14           H        GLY  14   1.549  -3.486   7.502
   72   1HA   GLY  14          1HA       GLY  14   2.996  -1.766   7.737
   73   2HA   GLY  14          2HA       GLY  14   4.243  -2.717   6.956
   74    H    CYS  15           H        CYS  15   1.293  -2.595   5.133
   75    HA   CYS  15           HA       CYS  15   2.589  -0.759   3.285
   76   1HB   CYS  15          1HB       CYS  15   0.372  -2.779   2.965
   77   2HB   CYS  15          2HB       CYS  15   0.727  -1.580   1.738
   78    H    THR  16           H        THR  16   1.836   1.332   3.088
   79    HA   THR  16           HA       THR  16  -0.582   2.012   4.580
   80    HB   THR  16           HB       THR  16   0.337   4.287   4.475
   81    HG1  THR  16           1HG      THR  16   1.727   4.719   2.789
   82   1HG2  THR  16          1HG2      THR  16   2.774   2.460   4.722
   83   2HG2  THR  16          2HG2      THR  16   2.495   4.021   5.531
   84   3HG2  THR  16          3HG2      THR  16   1.555   2.589   6.014
   85    H    CYS  17           H        CYS  17  -2.181   3.493   3.651
   86    HA   CYS  17           HA       CYS  17  -2.811   2.605   0.996
   87   1HB   CYS  17          1HB       CYS  17  -4.560   2.688   2.667
   88   2HB   CYS  17          2HB       CYS  17  -4.279   4.396   2.940
   89    H    SER  18           H        SER  18  -1.275   3.600  -0.405
   90    HA   SER  18           HA       SER  18  -1.316   6.504  -0.374
   91   1HB   SER  18          1HB       SER  18   0.843   4.940  -0.530
   92   2HB   SER  18          2HB       SER  18   0.428   4.884  -2.232
   93    HG   SER  18           HG       SER  18   0.553   7.195  -2.325
   94    H    TRP  19           H        TRP  19  -3.668   6.232  -1.170
   95    HA   TRP  19           HA       TRP  19  -4.571   4.868  -3.249
   96   1HB   TRP  19          1HB       TRP  19  -5.505   6.946  -1.764
   97   2HB   TRP  19          2HB       TRP  19  -5.388   7.702  -3.341
   98    HD1  TRP  19           HD       TRP  19  -7.324   4.914  -1.520
   99    HE1  TRP  19           1HE      TRP  19  -9.459   4.180  -2.885
  100    HE3  TRP  19           3HE      TRP  19  -6.233   7.614  -5.688
  101    HZ2  TRP  19           2HZ      TRP  19 -10.431   4.797  -5.497
  102    HZ3  TRP  19           3HZ      TRP  19  -7.827   7.492  -7.601
  103    HH2  TRP  19           HH       TRP  19  -9.866   6.145  -7.551
  104    HA   PRO  20           HA       PRO  20  -5.596   4.810  -4.844
  105   1HB   PRO  20          1HB       PRO  20  -5.539   3.505  -7.244
  106   2HB   PRO  20          2HB       PRO  20  -6.443   4.983  -6.978
  107   1HG   PRO  20          1HG       PRO  20  -3.894   4.606  -8.427
  108   2HG   PRO  20          2HG       PRO  20  -5.013   5.952  -8.506
  109   1HD   PRO  20          1HD       PRO  20  -2.509   5.883  -7.109
  110   2HD   PRO  20          2HD       PRO  20  -3.682   7.185  -7.094
  111    H    VAL  21           H        VAL  21  -2.331   4.233  -5.256
  112    HA   VAL  21           HA       VAL  21  -2.711   1.347  -4.966
  113    HB   VAL  21           HB       VAL  21  -1.313   2.401  -6.812
  114   1HG1  VAL  21          1HG1      VAL  21   0.531   3.616  -6.384
  115   2HG1  VAL  21          2HG1      VAL  21  -0.161   3.825  -4.758
  116   3HG1  VAL  21          3HG1      VAL  21   1.043   2.548  -5.055
  117   1HG2  VAL  21          1HG2      VAL  21  -0.091   0.483  -6.963
  118   2HG2  VAL  21          2HG2      VAL  21   0.472   0.573  -5.277
  119   3HG2  VAL  21          3HG2      VAL  21  -1.171  -0.010  -5.636
  120    H    CYS  22           H        CYS  22  -0.634   0.418  -3.618
  121    HA   CYS  22           HA       CYS  22  -0.889   1.769  -1.044
  122   1HB   CYS  22          1HB       CYS  22  -0.206  -1.073  -1.794
  123   2HB   CYS  22          2HB       CYS  22   0.035  -0.441  -0.177
  124    H    THR  23           H        THR  23   1.273   1.309   0.360
  125    HA   THR  23           HA       THR  23   3.665   1.470  -1.281
  126    HB   THR  23           HB       THR  23   4.266   3.629   0.055
  127    HG1  THR  23           1HG      THR  23   2.409   3.347   1.523
  128   1HG2  THR  23          1HG2      THR  23   1.958   3.662  -1.960
  129   2HG2  THR  23          2HG2      THR  23   2.830   5.116  -1.418
  130   3HG2  THR  23          3HG2      THR  23   3.688   3.852  -2.333
  131    H    ARG  24           H        ARG  24   5.661   1.313   0.017
  132    HA   ARG  24           HA       ARG  24   5.084   0.140   2.613
  133   1HB   ARG  24          1HB       ARG  24   5.526  -1.789   1.278
  134   2HB   ARG  24          2HB       ARG  24   6.764  -0.976   0.342
  135   1HG   ARG  24          1HG       ARG  24   8.407  -1.443   1.869
  136   2HG   ARG  24          2HG       ARG  24   7.382  -1.059   3.237
  137   1HD   ARG  24          1HD       ARG  24   6.601  -3.241   3.452
  138   2HD   ARG  24          2HD       ARG  24   6.689  -3.563   1.731
  139    HE   ARG  24           HE       ARG  24   9.344  -3.183   2.802
  140   1HH1  ARG  24          2HH2      ARG  24   6.717  -5.521   2.687
  141   2HH1  ARG  24          1HH2      ARG  24   7.755  -6.891   2.899
  142   1HH2  ARG  24          2HH1      ARG  24  10.715  -4.990   3.082
  143   2HH2  ARG  24          1HH1      ARG  24  10.045  -6.587   3.126
  144    H    ASN  25           H        ASN  25   6.160   1.311   4.171
  145    HA   ASN  25           HA       ASN  25   7.629   2.557   5.163
  146   1HB   ASN  25          1HB       ASN  25   9.450   1.141   3.176
  147   2HB   ASN  25          2HB       ASN  25  10.112   2.356   4.251
  148   1HD2  ASN  25          1HD2      ASN  25  10.396  -0.621   4.016
  149   2HD2  ASN  25          2HD2      ASN  25  10.110  -1.254   5.602
  150    H    GLY  26           H        GLY  26   6.189   3.472   2.608
  151   1HA   GLY  26          1HA       GLY  26   6.026   5.552   1.672
  152   2HA   GLY  26          2HA       GLY  26   7.609   5.976   2.292
  153    H    LEU  27           H        LEU  27   7.183   2.907   0.570
  154    HA   LEU  27           HA       LEU  27   8.098   4.088  -1.919
  155   1HB   LEU  27          1HB       LEU  27   9.661   1.872  -0.599
  156   2HB   LEU  27          2HB       LEU  27  10.024   2.686  -2.108
  157    HG   LEU  27           HG       LEU  27   9.948   4.193   0.505
  158   1HD1  LEU  27          1HD1      LEU  27  12.567   3.256  -0.564
  159   2HD1  LEU  27          2HD1      LEU  27  12.060   3.602   1.107
  160   3HD1  LEU  27          3HD1      LEU  27  11.564   2.083   0.323
  161   1HD2  LEU  27          1HD2      LEU  27  11.401   5.761  -0.655
  162   2HD2  LEU  27          2HD2      LEU  27  11.408   4.719  -2.099
  163   3HD2  LEU  27          3HD2      LEU  27   9.898   5.503  -1.573
  164    HA   PRO  28           HA       PRO  28   5.105   1.362  -3.076
  165   1HB   PRO  28          1HB       PRO  28   5.259   1.571  -5.809
  166   2HB   PRO  28          2HB       PRO  28   4.465   2.790  -4.756
  167   1HG   PRO  28          1HG       PRO  28   7.209   2.826  -6.011
  168   2HG   PRO  28          2HG       PRO  28   6.104   4.190  -5.632
  169   1HD   PRO  28          1HD       PRO  28   8.334   3.498  -4.099
  170   2HD   PRO  28          2HD       PRO  28   6.913   4.398  -3.468
  171    H    VAL  29           H        VAL  29   5.896  -0.596  -2.185
  172    HA   VAL  29           HA       VAL  29   6.775  -2.369  -4.325
  173    HB   VAL  29           HB       VAL  29   8.528  -3.309  -2.917
  174   1HG1  VAL  29          1HG1      VAL  29   9.213  -1.647  -4.516
  175   2HG1  VAL  29          2HG1      VAL  29   8.748  -0.324  -3.420
  176   3HG1  VAL  29          3HG1      VAL  29  10.125  -1.376  -3.011
  177   1HG2  VAL  29          1HG2      VAL  29   7.393  -2.525  -0.744
  178   2HG2  VAL  29          2HG2      VAL  29   9.170  -2.463  -0.818
  179   3HG2  VAL  29          3HG2      VAL  29   8.219  -0.973  -1.024