*HEADER    ANTIMICROBIAL PROTEIN                   30-JAN-09   2KEH              
*TITLE     PLANTARICIN K IN TFE                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLNK;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: BACTERIOCIN PEPTIDE K;                                     
*COMPND   5 SYNONYM: BACTERIOCIN PLNK;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM;                        
*SOURCE   4 ORGANISM_TAXID: 1590;                                                
*SOURCE   5 OTHER_DETAILS: 95% PURITY                                            
*KEYWDS    PROTEIN, PEPTIDE, ANTIMICROBIAL PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.ROGNE, M.HAUGEN, J.NISSEN-MEYER, P.KRISTIANSEN                      
*REVDAT   1   07-JUL-09 2KEH    0                                                


2 ARG HA H 5.780
3 SER HA H 4.066
4 ARG HA H 5.702
5 LYS HA H 6.081
8 ILE HA H 4.610
10 TYR HA H 4.793
11 ALA HA H 4.150
12 ILE HA H 4.273
14 TYR HA H 3.438
15 ALA HA H 3.770
16 PHE HA H 3.240
18 ALA HA H 4.250
19 VAL HA H 5.458
20 GLU HA H 4.747
21 ARG HA H 3.332
22 ALA HA H 4.219
23 VAL HA H 5.145
24 LEU HA H 4.374
27 SER HA H 3.484
28 ARG HA H 5.869
29 ASP HA H 1.938
30 TYR HA H 4.511
31 ASN HA H 2.048
32 LYS HA H 7.166
# HA HB TYPE J COUPLINGS
12 ILE HA HB 10.504
19 VAL HA HB 10.574
20 GLU HA HB3 7.562
20 GLU HA HB2 9.127
21 ARG HA HB2 10.104
23 VAL HA HB 9.486
24 LEU HA HB3 10.668
  1 ARG  QG      2 ARG  H       4.76            #peak     4 #SUP  0.97  #QF  0.33
  2 ARG  H       2 ARG  QG      4.96            #peak     4 #SUP  0.97  #QF  0.33
  4 ARG  H       4 ARG  QG      4.30            #peak    14 #SUP  0.99  #QF  0.99
 19 VAL  H      19 VAL  HB      3.28            #peak    16 #SUP  0.87  #QF  0.87
 19 VAL  H      19 VAL  QG2     3.36            #peak    17 #SUP  0.94  #QF  0.94
  8 ILE  H       8 ILE  QD1     3.29            #peak    18 #SUP  0.87  #QF  0.87
 23 VAL  H      23 VAL  QG2     3.36            #peak    19 #SUP  0.98  #QF  0.98
 23 VAL  H      23 VAL  QG1     3.94            #peak    20 #SUP  0.93  #QF  0.93
 23 VAL  H      23 VAL  HB      3.41            #peak    21 #SUP  0.95  #QF  0.95
 20 GLU  HA     20 GLU  HG2     4.05            #peak    25 #SUP  0.97  #QF  0.97
 20 GLU  HA     20 GLU  HG3     4.05            #peak    26 #SUP  0.92  #QF  0.92
  9 GLY  H       9 GLY  QA      2.69            #peak    27 #SUP  0.44  #QF  0.44
  5 LYS  H       5 LYS  HG2     5.50            #peak    28 #SUP  0.88  #QF  0.88
  5 LYS  H       5 LYS  HG3     5.50            #peak    29 #SUP  0.66  #QF  0.42
 18 ALA  QB     20 GLU  H       5.32            #peak    29 #SUP  0.66  #QF  0.42
  4 ARG  QG      5 LYS  H       5.50            #peak    30 #SUP  1.00  #QF  0.24
  5 LYS  H       5 LYS  QD      5.50            #peak    30 #SUP  1.00  #QF  0.24
  5 LYS  H       5 LYS  HB3     3.72            #peak    31 #SUP  0.90  #QF  0.90
  5 LYS  H       5 LYS  HB2     3.72            #peak    32 #SUP  0.92  #QF  0.92
 15 ALA  H      15 ALA  QB      3.09            #peak    35 #SUP  1.00
 18 ALA  H      18 ALA  QB      3.18            #peak    38 #SUP  0.96  #QF  0.96
 10 TYR  H      10 TYR  HB3     3.58            #peak    41 #SUP  0.99  #QF  0.99
 10 TYR  H      10 TYR  HB2     3.47            #peak    42 #SUP  0.76  #QF  0.76
 14 TYR  H      14 TYR  HB3     3.38            #peak    48 #SUP  0.96  #QF  0.96
 14 TYR  H      14 TYR  HB2     3.37            #peak    49 #SUP  0.94  #QF  0.94
  8 ILE  H       8 ILE  QG2     3.97            #peak    54 #SUP  0.88  #QF  0.88
 23 VAL  HA     23 VAL  QG1     3.40            #peak    55 #SUP  0.96  #QF  0.96
 23 VAL  HA     23 VAL  QG2     3.20            #peak    56 #SUP  1.00
 19 VAL  HA     19 VAL  QG2     3.21            #peak    57 #SUP  1.00
 19 VAL  HA     19 VAL  QG1     3.51            #peak    58 #SUP  0.91  #QF  0.91
 11 ALA  H      11 ALA  QB      2.77            #peak    60 #SUP  0.69  #QF  0.69
 12 ILE  H      12 ILE  QD1     3.55            #peak    65 #SUP  0.98  #QF  0.98
 12 ILE  H      12 ILE  HB      2.97            #peak    66 #SUP  0.89  #QF  0.89
 28 ARG  H      28 ARG  QG      4.22            #peak    69 #SUP  0.69  #QF  0.69
 28 ARG  HA     28 ARG  QG      3.82            #peak    74 #SUP  0.87  #QF  0.87
 13 GLY  H      16 PHE  HB2     5.04            #peak    76 #SUP  0.90  #QF  0.84
 28 ARG  H      28 ARG  QD      5.48            #peak    76 #SUP  0.90  #QF  0.84
 13 GLY  H      13 GLY  QA      2.73            #peak    83 #SUP  0.96  #QF  0.96
  6 ASN  H       6 ASN  QB      3.52            #peak    85 #SUP  1.00
 29 ASP  H      29 ASP  HB2     3.79            #peak    87 #SUP  0.91  #QF  0.91
 17 GLY  H      17 GLY  QA      2.70            #peak    90 #SUP  0.92  #QF  0.92
 29 ASP  H      29 ASP  HB3     3.79            #peak    91 #SUP  0.86  #QF  0.86
 32 LYS  H      32 LYS  QG      5.22            #peak   103 #SUP  0.95  #QF  0.41
 16 PHE  H      16 PHE  HB3     3.89            #peak   105 #SUP  0.91  #QF  0.91
 20 GLU  H      20 GLU  HB2     3.29            #peak   108 #SUP  0.93  #QF  0.93
 20 GLU  H      20 GLU  HG2     4.40            #peak   109 #SUP  0.96  #QF  0.96
  2 ARG  H       3 SER  H       4.96            #peak   110 #SUP  0.99  #QF  0.99
  3 SER  H       4 ARG  H       4.04            #peak   111 #SUP  0.82  #QF  0.82
  4 ARG  H       5 LYS  H       3.46            #peak   112 #SUP  0.95  #QF  0.95
  5 LYS  H       7 GLY  H       2.93            #peak   113 #SUP  0.65  #QF  0.65
 16 PHE  HA     19 VAL  HB      3.72            #peak   114 #SUP  0.95  #QF  0.95
  3 SER  HB3     4 ARG  H       4.22            #peak   118 #SUP  0.87  #QF  0.87
 14 TYR  HB3    15 ALA  H       3.51            #peak   120 #SUP  0.98  #QF  0.98
 14 TYR  HB2    15 ALA  H       3.89            #peak   121 #SUP  0.99  #QF  0.99
 20 GLU  H      20 GLU  HG3     4.40            #peak   123 #SUP  0.95  #QF  0.95
  2 ARG  HA      3 SER  H       3.25            #peak   124 #SUP  0.81  #QF  0.81
  1 ARG  HA      2 ARG  H       3.52            #peak   125 #SUP  0.97  #QF  0.97
  1 ARG  QB      2 ARG  H       4.42            #peak   126 #SUP  1.00
  2 ARG  HB3     3 SER  H       4.96            #peak   127 #SUP  0.90  #QF  0.90
  2 ARG  HB2     3 SER  H       4.96            #peak   128 #SUP  0.99  #QF  0.98
  2 ARG  QG      3 SER  H       4.62            #peak   129 #SUP  0.99  #QF  0.99
 20 GLU  H      20 GLU  HB3     3.69            #peak   130 #SUP  0.93  #QF  0.93
  6 ASN  QB      7 GLY  H       3.90            #peak   131 #SUP  0.99  #QF  0.99
  8 ILE  HB      9 GLY  H       3.45            #peak   134 #SUP  0.37  #QF  0.37
  5 LYS  HB2     6 ASN  H       4.53            #peak   135 #SUP  0.92  #QF  0.92
  5 LYS  HB3     6 ASN  H       4.53            #peak   136 #SUP  0.98  #QF  0.98
  6 ASN  H       7 GLY  H       3.68            #peak   138 #SUP  0.77  #QF  0.77
 10 TYR  H      11 ALA  H       3.59            #peak   139 #SUP  0.86  #QF  0.86
  9 GLY  H      10 TYR  H       3.79            #peak   140 #SUP  0.81  #QF  0.81
 10 TYR  HB3    11 ALA  H       4.30            #peak   143 #SUP  0.69  #QF  0.69
 10 TYR  HB2    11 ALA  H       3.80            #peak   144 #SUP  0.70  #QF  0.62
 24 LEU  H      24 LEU  QQD     3.55            #peak   145 #SUP  0.69  #QF  0.69
 23 VAL  QG2    24 LEU  H       4.03            #peak   146 #SUP  0.88  #QF  0.88
 19 VAL  HA     23 VAL  H       5.08            #peak   148 #SUP  0.97  #QF  0.97
 22 ALA  QB     23 VAL  H       3.85            #peak   150 #SUP  1.00
 23 VAL  HB     24 LEU  H       3.62            #peak   151 #SUP  0.92  #QF  0.92
 19 VAL  HA     22 ALA  H       3.99            #peak   152 #SUP  0.91  #QF  0.91
 19 VAL  QG2    20 GLU  H       4.28            #peak   153 #SUP  0.98  #QF  0.98
 19 VAL  QG1    20 GLU  H       3.94            #peak   154 #SUP  0.92  #QF  0.92
  8 ILE  QG2     9 GLY  H       4.13            #peak   155 #SUP  0.91  #QF  0.91
  9 GLY  H      12 ILE  QD1     4.54            #peak   156 #SUP  0.80  #QF  0.80
 19 VAL  HB     20 GLU  H       3.67            #peak   157 #SUP  0.58  #QF  0.58
 18 ALA  QB     19 VAL  H       3.44            #peak   158 #SUP  0.98  #QF  0.98
 18 ALA  HA     20 GLU  H       4.23            #peak   159 #SUP  0.64  #QF  0.64
 24 LEU  H      24 LEU  HB2     3.74            #peak   160 #SUP  0.98  #QF  0.98
 24 LEU  H      24 LEU  HB3     3.74            #peak   161 #SUP  0.96  #QF  0.96
 21 ARG  HB2    22 ALA  H       3.63            #peak   162 #SUP  0.81  #QF  0.32
 21 ARG  HB3    22 ALA  H       4.03            #peak   162 #SUP  0.81  #QF  0.32
 20 GLU  HB2    22 ALA  H       5.50            #peak   163 #SUP  0.55  #QF  0.55
 20 GLU  HB2    21 ARG  H       3.84            #peak   164 #SUP  0.80  #QF  0.80
  8 ILE  H       8 ILE  HB      3.21            #peak   165 #SUP  0.86  #QF  0.86
 12 ILE  HB     13 GLY  H       3.16            #peak   166 #SUP  0.73  #QF  0.33
 21 ARG  H      21 ARG  HB2     3.26            #peak   166 #SUP  0.73  #QF  0.33
 24 LEU  HB3    25 GLY  H       3.75            #peak   168 #SUP  0.34  #QF  0.34
 24 LEU  HB2    25 GLY  H       3.75            #peak   169 #SUP  0.68  #QF  0.68
  8 ILE  H       8 ILE  HG13    4.06            #peak   170 #SUP  0.90  #QF  0.64
 21 ARG  H      21 ARG  QG      3.98            #peak   170 #SUP  0.90  #QF  0.64
 12 ILE  H      12 ILE  HG13    3.56            #peak   171 #SUP  0.98  #QF  0.98
 11 ALA  QB     12 ILE  H       3.45            #peak   172 #SUP  0.87  #QF  0.87
 15 ALA  QB     16 PHE  H       3.57            #peak   173 #SUP  0.97  #QF  0.97
 24 LEU  QQD    25 GLY  H       4.21            #peak   174 #SUP  0.90  #QF  0.90
 11 ALA  HA     13 GLY  H       4.69            #peak   176 #SUP  0.91  #QF  0.91
 11 ALA  HA     14 TYR  H       3.94            #peak   178 #SUP  0.98  #QF  0.86
 16 PHE  H      16 PHE  HB2     3.37            #peak   180 #SUP  0.81  #QF  0.81
 16 PHE  HB2    17 GLY  H       4.24            #peak   181 #SUP  0.76  #QF  0.76
 16 PHE  HB3    17 GLY  H       3.20            #peak   182 #SUP  0.73  #QF  0.73
 28 ARG  HA     29 ASP  H       3.26            #peak   184 #SUP  0.63  #QF  0.63
 15 ALA  HA     18 ALA  H       4.24            #peak   185 #SUP  0.40  #QF  0.40
 17 GLY  QA     18 ALA  H       3.47            #peak   186 #SUP  0.98  #QF  0.98
  9 GLY  QA     10 TYR  H       3.53            #peak   187 #SUP  0.91  #QF  0.91
  4 ARG  HA      5 LYS  H       3.24            #peak   188 #SUP  0.84  #QF  0.84
 27 SER  HA     28 ARG  H       3.42            #peak   199 #SUP  0.59  #QF  0.59
 12 ILE  H      12 ILE  HG12    3.98            #peak   203 #SUP  0.97  #QF  0.97
  8 ILE  H       8 ILE  HG12    4.06            #peak   204 #SUP  1.00
 30 TYR  HA     30 TYR  QD      3.84            #peak   205 #SUP  1.00
  3 SER  HB2     4 ARG  H       4.22            #peak   206 #SUP  0.57  #QF  0.38
 19 VAL  QG1    22 ALA  H       4.88            #peak   209 #SUP  0.81  #QF  0.81
 22 ALA  H      23 VAL  QG2     4.06            #peak   210 #SUP  0.92  #QF  0.92
 18 ALA  H      19 VAL  QG2     4.76            #peak   211 #SUP  0.99  #QF  0.99
 10 TYR  HA     10 TYR  QD      3.49            #peak   212 #SUP  0.95  #QF  0.95
 14 TYR  HA     14 TYR  QD      3.53            #peak   213 #SUP  0.89  #QF  0.89
 16 PHE  HA     16 PHE  QE      4.71            #peak   214 #SUP  0.55  #QF  0.55
 29 ASP  HA     30 TYR  QD      5.23            #peak   215 #SUP  0.67  #QF  0.67
 16 PHE  H      17 GLY  H       3.51            #peak   216 #SUP  0.75  #QF  0.75
 24 LEU  H      25 GLY  H       3.52            #peak   217 #SUP  0.92  #QF  0.92
 22 ALA  H      23 VAL  H       3.46            #peak   219 #SUP  0.83  #QF  0.83
  7 GLY  H       8 ILE  H       4.08            #peak   220 #SUP  0.75  #QF  0.75
 19 VAL  H      20 GLU  H       3.51            #peak   221 #SUP  0.92  #QF  0.29
 20 GLU  H      21 ARG  H       3.49            #peak   221 #SUP  0.92  #QF  0.29
 11 ALA  H      14 TYR  H       4.63            #peak   224 #SUP  0.57  #QF  0.57
 13 GLY  H      14 TYR  H       3.33            #peak   225 #SUP  0.47  #QF  0.47
 12 ILE  H      13 GLY  H       2.89            #peak   226 #SUP  0.53  #QF  0.53
 18 ALA  H      19 VAL  H       3.19            #peak   229 #SUP  0.56  #QF  0.56
  8 ILE  H      10 TYR  H       4.87            #peak   230 #SUP  1.00  #QF  0.97
 10 TYR  H      13 GLY  H       5.50            #peak   230 #SUP  1.00  #QF  0.97
 15 ALA  H      16 PHE  H       3.56            #peak   231 #SUP  0.77  #QF  0.77
  3 SER  H       5 LYS  H       4.00            #peak   232 #SUP  0.31  #QF  0.31
 10 TYR  H      10 TYR  QD      4.06            #peak   233 #SUP  0.99  #QF  0.99
 30 TYR  H      30 TYR  QD      4.33            #peak   234 #SUP  0.99  #QF  0.64
 29 ASP  H      30 TYR  QD      5.46            #peak   235 #SUP  0.94  #QF  0.47
 30 TYR  QD     31 ASN  H       5.50            #peak   235 #SUP  0.94  #QF  0.47
 14 TYR  H      14 TYR  QD      4.39            #peak   236 #SUP  0.99  #QF  0.99
  9 GLY  H      10 TYR  QD      4.40            #peak   237 #SUP  0.98  #QF  0.23
 16 PHE  H      16 PHE  QD      4.65            #peak   238 #SUP  0.94  #QF  0.94
 16 PHE  QD     17 GLY  H       4.81            #peak   239 #SUP  0.90  #QF  0.90
 10 TYR  HA     10 TYR  QE      4.70            #peak   245 #SUP  0.95  #QF  0.95
 14 TYR  HA     14 TYR  QE      4.71            #peak   246 #SUP  0.90  #QF  0.90
 10 TYR  H      11 ALA  QB      4.54            #peak   253 #SUP  0.95  #QF  0.95
 18 ALA  H      19 VAL  HB      4.64            #peak   254 #SUP  0.89  #QF  0.89
  8 ILE  QG2    10 TYR  H       5.22            #peak   256 #SUP  0.69  #QF  0.69
 10 TYR  H      12 ILE  QD1     5.10            #peak   257 #SUP  0.99  #QF  0.99
 23 VAL  QG2    25 GLY  H       5.50            #peak   258 #SUP  0.93  #QF  0.93
  5 LYS  H       6 ASN  QB      3.59            #peak   260 #SUP  0.62  #QF  0.62
 29 ASP  HB2    30 TYR  H       4.60            #peak   264 #SUP  0.73  #QF  0.73
 29 ASP  HB3    30 TYR  H       4.60            #peak   265 #SUP  0.94  #QF  0.94
 18 ALA  H      21 ARG  HB2     5.50            #peak   276 #SUP  0.60  #QF  0.60
  8 ILE  H      10 TYR  HB2     4.83            #peak   277 #SUP  0.56  #QF  0.56
 18 ALA  H      19 VAL  HA      5.40            #peak   278 #SUP  0.90  #QF  0.90
  5 LYS  H       6 ASN  HA      4.61            #peak   288 #SUP  0.64  #QF  0.64
 32 LYS  H      32 LYS  QD      5.50            #peak   290 #SUP  1.00
 10 TYR  H      11 ALA  HA      5.38            #peak   292 #SUP  1.00
 10 TYR  H      13 GLY  QA      5.50            #peak   294 #SUP  0.69  #QF  0.69
  2 ARG  QG      2 ARG  HE      3.65            #peak   297 #SUP  0.98  #QF  0.98
 19 VAL  HA     22 ALA  QB      3.43            #peak   300 #SUP  0.69  #QF  0.69
 22 ALA  QB     23 VAL  HA      4.42            #peak   301 #SUP  0.97  #QF  0.97
 18 ALA  QB     19 VAL  HA      4.45            #peak   302 #SUP  0.93  #QF  0.93
 20 GLU  HA     23 VAL  HB      4.24            #peak   303 #SUP  0.90  #QF  0.90
 23 VAL  HB     24 LEU  HA      4.59            #peak   304 #SUP  0.87  #QF  0.87
 11 ALA  HA     14 TYR  HB2     3.80            #peak   306 #SUP  0.96  #QF  0.96
 11 ALA  HA     14 TYR  HB3     3.52            #peak   307 #SUP  0.86  #QF  0.86
 14 TYR  HB2    15 ALA  HA      5.50            #peak   309 #SUP  0.84  #QF  0.84
 14 TYR  HB3    15 ALA  HA      4.28            #peak   310 #SUP  0.56  #QF  0.56
  7 GLY  HA3    10 TYR  HB3     5.04            #peak   311 #SUP  0.94  #QF  0.94
  7 GLY  HA2    10 TYR  HB3     5.04            #peak   314 #SUP  0.83  #QF  0.83
 21 ARG  HA     21 ARG  QD      3.96            #peak   316 #SUP  0.44  #QF  0.44
 13 GLY  QA     16 PHE  HB3     4.35            #peak   317 #SUP  0.98  #QF  0.90
 16 PHE  HB3    17 GLY  QA      4.81            #peak   317 #SUP  0.98  #QF  0.90
 13 GLY  QA     16 PHE  HB2     3.63            #peak   318 #SUP  0.54  #QF  0.54
 13 GLY  QA     14 TYR  HB2     4.80            #peak   319 #SUP  0.59  #QF  0.59
  7 GLY  HA3    10 TYR  QD      4.56            #peak   324 #SUP  0.55  #QF  0.55
 16 PHE  HA     19 VAL  QG2     4.13            #peak   327 #SUP  0.99  #QF  0.99
  8 ILE  HA      8 ILE  QG2     3.43            #peak   328 #SUP  0.71  #QF  0.71
  8 ILE  HA     12 ILE  QD1     4.97            #peak   329 #SUP  0.59  #QF  0.59
 15 ALA  HA     19 VAL  QG2     4.34            #peak   330 #SUP  0.84  #QF  0.84
 22 ALA  HA     23 VAL  QG2     4.86            #peak   331 #SUP  0.87  #QF  0.87
 20 GLU  HA     23 VAL  QG2     3.47            #peak   332 #SUP  0.56  #QF  0.56
  8 ILE  QG2     9 GLY  QA      3.58            #peak   333 #SUP  0.28  #QF  0.28
 11 ALA  QB     12 ILE  HA      3.81            #peak   336 #SUP  0.47  #QF  0.47
 12 ILE  HA     12 ILE  HG13    3.63            #peak   337 #SUP  0.99  #QF  0.99
 15 ALA  QB     16 PHE  HA      4.03            #peak   340 #SUP  0.83  #QF  0.83
  4 ARG  HA      4 ARG  QG      4.22            #peak   346 #SUP  0.69  #QF  0.69
 10 TYR  HA     11 ALA  QB      5.28            #peak   350 #SUP  0.76  #QF  0.76
  9 GLY  QA     12 ILE  HB      4.54            #peak   353 #SUP  0.72  #QF  0.72
 12 ILE  HB     13 GLY  QA      3.91            #peak   354 #SUP  0.56  #QF  0.56
  2 ARG  HB3     2 ARG  QD      3.98            #peak   359 #SUP  0.85  #QF  0.56
  2 ARG  HB2     2 ARG  QD      3.98            #peak   360 #SUP  0.97  #QF  0.78
 21 ARG  QG     21 ARG  QD      3.00            #peak   364 #SUP  0.54  #QF  0.54
 11 ALA  QB     14 TYR  HB2     4.69            #peak   365 #SUP  0.87  #QF  0.87
 10 TYR  HB3    11 ALA  QB      4.36            #peak   366 #SUP  0.66  #QF  0.66
  9 GLY  QA     12 ILE  QD1     4.49            #peak   368 #SUP  0.95  #QF  0.70
 12 ILE  QG2    13 GLY  QA      3.48            #peak   369 #SUP  0.59  #QF  0.59
  6 ASN  QB      8 ILE  H       5.50            #peak   370 #SUP  0.32  #QF  0.32
 30 TYR  HA     30 TYR  QE      5.50            #peak   373 #SUP  0.78  #QF  0.78
 14 TYR  QD     15 ALA  HA      3.85            #peak   376 #SUP  0.50  #QF  0.50
  7 GLY  HA2    10 TYR  QD      4.56            #peak   377 #SUP  0.96  #QF  0.96
 11 ALA  HA     14 TYR  QD      4.42            #peak   379 #SUP  0.71  #QF  0.71
 13 GLY  QA     16 PHE  QE      5.14            #peak   382 #SUP  0.90  #QF  0.90
  2 ARG  HA      4 ARG  H       5.50            #peak   383 #SUP  0.92  #QF  0.92
  2 ARG  HA      5 LYS  H       5.50            #peak   384 #SUP  0.80  #QF  0.80
  3 SER  HA      5 LYS  H       4.69            #peak   385 #SUP  0.67  #QF  0.67
 16 PHE  QD     19 VAL  HB      3.98            #peak   388 #SUP  0.60  #QF  0.60
 11 ALA  H      12 ILE  HG13    5.04            #peak   390 #SUP  0.48  #QF  0.48
  8 ILE  HB     10 TYR  QD      4.78            #peak   392 #SUP  0.27  #QF  0.27
 14 TYR  QD     15 ALA  QB      4.02            #peak   394 #SUP  0.89  #QF  0.89
 16 PHE  QD     20 GLU  HG3     5.50            #peak   395 #SUP  0.85  #QF  0.85
 16 PHE  QD     20 GLU  HG2     5.50            #peak   396 #SUP  0.94  #QF  0.94
 16 PHE  HA     18 ALA  H       4.42            #peak   397 #SUP  0.62  #QF  0.62
  4 ARG  HA      7 GLY  H       4.73            #peak   398 #SUP  0.65  #QF  0.65
  5 LYS  HA      7 GLY  H       4.73            #peak   399 #SUP  0.91  #QF  0.91
 10 TYR  HA     14 TYR  H       4.77            #peak   402 #SUP  0.55  #QF  0.55
 13 GLY  QA     14 TYR  H       3.22            #peak   405 #SUP  0.98  #QF  0.98
 22 ALA  H      23 VAL  HA      5.50            #peak   406 #SUP  0.91  #QF  0.91
  9 GLY  QA     10 TYR  QE      5.50            #peak   408 #SUP  0.66  #QF  0.66
 13 GLY  QA     16 PHE  QD      4.02            #peak   410 #SUP  0.99  #QF  0.99
  3 SER  H       6 ASN  QB      5.06            #peak   416 #SUP  0.66  #QF  0.66
 12 ILE  QG2    16 PHE  QE      4.24            #peak   422 #SUP  0.91  #QF  0.91
 12 ILE  QG2    16 PHE  QD      3.79            #peak   423 #SUP  0.92  #QF  0.92
 16 PHE  QD     19 VAL  QG2     4.48            #peak   424 #SUP  0.93  #QF  0.93
 14 TYR  QE     15 ALA  QB      5.50            #peak   427 #SUP  0.55  #QF  0.55
 14 TYR  QE     18 ALA  QB      4.77            #peak   428 #SUP  0.49  #QF  0.49
 14 TYR  QD     18 ALA  QB      5.50            #peak   429 #SUP  0.71  #QF  0.71
  7 GLY  H      10 TYR  QD      5.22            #peak   433 #SUP  0.51  #QF  0.51
 16 PHE  QD     20 GLU  H       5.27            #peak   434 #SUP  0.56  #QF  0.56
  8 ILE  H      10 TYR  QD      5.41            #peak   435 #SUP  0.84  #QF  0.84
 12 ILE  QG2    16 PHE  HB2     4.15            #peak   438 #SUP  0.91  #QF  0.91
 12 ILE  QG2    16 PHE  HB3     4.98            #peak   439 #SUP  0.67  #QF  0.67
 20 GLU  HG3    24 LEU  QQD     5.50            #peak   440 #SUP  0.94  #QF  0.94
 20 GLU  HG2    24 LEU  QQD     5.50            #peak   441 #SUP  0.82  #QF  0.82
 22 ALA  QB     23 VAL  QG2     4.14            #peak   448 #SUP  0.91  #QF  0.32
 15 ALA  QB     19 VAL  QG2     3.41            #peak   449 #SUP  0.57  #QF  0.57
 18 ALA  QB     19 VAL  QG2     4.39            #peak   450 #SUP  0.96  #QF  0.96
 24 LEU  HB2    24 LEU  QQD     3.55            #peak   452 #SUP  0.84  #QF  0.37
 12 ILE  HB     12 ILE  QD1     3.55            #peak   459 #SUP  1.00
 24 LEU  HB3    24 LEU  QQD     3.55            #peak   459 #SUP  1.00
 20 GLU  HB3    24 LEU  QQD     3.44            #peak   462 #SUP  0.45  #QF  0.45
 21 ARG  HB2    21 ARG  QG      2.90            #peak   463 #SUP  0.89  #QF  0.36
  1 ARG  QB      1 ARG  QG      3.01            #peak   478 #SUP  0.65  #QF  0.54
 12 ILE  QG2    12 ILE  HG12    2.99            #peak   483 #SUP  0.95  #QF  0.69
 12 ILE  HA     12 ILE  HG12    3.35            #peak   492 #SUP  0.93  #QF  0.93
  7 GLY  H      10 TYR  HB2     5.17            #peak   494 #SUP  0.52  #QF  0.52
 16 PHE  HB3    18 ALA  H       5.25            #peak   495 #SUP  0.91  #QF  0.91
 12 ILE  HA     12 ILE  QG2     2.81            #peak   498 #SUP  0.79  #QF  0.79
 15 ALA  QB     16 PHE  QD      4.53            #peak   500 #SUP  0.24  #QF  0.24
 16 PHE  HB3    19 VAL  HB      5.06            #peak   503 #SUP  0.84  #QF  0.84
 24 LEU  HG     25 GLY  H       5.03            #peak   507 #SUP  0.38  #QF  0.38
 10 TYR  H      12 ILE  HB      5.22            #peak   513 #SUP  0.61  #QF  0.61
 12 ILE  QG2    13 GLY  H       4.66            #peak   514 #SUP  0.98  #QF  0.87
 12 ILE  QD1    13 GLY  H       5.28            #peak   514 #SUP  0.98  #QF  0.87
 24 LEU  HA     24 LEU  QQD     3.18            #peak   515 #SUP  0.83  #QF  0.83
 13 GLY  H      14 TYR  HB2     4.84            #peak   516 #SUP  0.71  #QF  0.71
 13 GLY  H      16 PHE  QD      4.78            #peak   517 #SUP  0.91  #QF  0.91
 14 TYR  HA     15 ALA  QB      5.12            #peak   519 #SUP  0.53  #QF  0.53
  5 LYS  HA      5 LYS  QD      4.53            #peak   520 #SUP  0.94  #QF  0.94
 21 ARG  HB3    22 ALA  HA      4.11            #peak   524 #SUP  0.44  #QF  0.44
 18 ALA  HA     20 GLU  HB2     5.50            #peak   525 #SUP  0.53  #QF  0.53
 11 ALA  H      12 ILE  H       3.87            #peak   526 #SUP  0.91  #QF  0.84
 29 ASP  H      30 TYR  H       4.33            #peak   527 #SUP  0.70  #QF  0.41
 10 TYR  H      12 ILE  H       5.18            #peak   528 #SUP  0.30  #QF  0.30
 23 VAL  HA     27 SER  H       5.50            #peak   533 #SUP  0.49  #QF  0.49
 23 VAL  HA     25 GLY  H       5.50            #peak   535 #SUP  0.80  #QF  0.80
 16 PHE  HA     19 VAL  QG1     4.44            #peak   537 #SUP  0.49  #QF  0.49
  9 GLY  QA     12 ILE  HG12    5.07            #peak   540 #SUP  0.77  #QF  0.77
 17 GLY  QA     18 ALA  QB      4.67            #peak   542 #SUP  0.83  #QF  0.83
 28 ARG  QD     28 ARG  HE      2.85            #peak   545 #SUP  0.51  #QF  0.51
  1 ARG  QB      1 ARG  QD      3.78            #peak   546 #SUP  1.00
 21 ARG  HB2    21 ARG  QD      3.30            #peak   551 #SUP  0.85  #QF  0.48
 21 ARG  HB3    21 ARG  QD      3.49            #peak   551 #SUP  0.85  #QF  0.48
 32 LYS  HA     32 LYS  QE      5.50            #peak   552 #SUP  0.99  #QF  0.99
  9 GLY  QA     12 ILE  HG13    5.49            #peak   554 #SUP  0.95  #QF  0.95
 20 GLU  HB2    21 ARG  HA      3.95            #peak   561 #SUP  0.42  #QF  0.42
 16 PHE  HA     16 PHE  QD      3.94            #peak   562 #SUP  0.99  #QF  0.99
  2 ARG  HA      2 ARG  QD      5.50            #peak   563 #SUP  0.96  #QF  0.96
  4 ARG  HA      4 ARG  QD      3.42            #peak   564 #SUP  0.70  #QF  0.70
  2 ARG  HA      3 SER  QB      4.37            #peak   323
  2 ARG  QB      2 ARG  QD      3.19            #peak   359
  2 ARG  QB      2 ARG  HE      3.40            #peak   298
  2 ARG  QB      3 SER  H       4.11            #peak   127
  2 ARG  QB      3 SER  QB      5.18            #peak   560
  3 SER  H       3 SER  QB      3.63            #peak     7
  3 SER  H       5 LYS  QB      5.34            #peak   128
  3 SER  QB      4 ARG  QB      5.18            #peak   560
  4 ARG  H       4 ARG  QB      2.97            #peak   504
  4 ARG  QB      4 ARG  QD      3.58            #peak   359
  5 LYS  H       5 LYS  QB      3.17            #peak    31
  5 LYS  H       5 LYS  QG      4.66            #peak    29
  5 LYS  QB      5 LYS  QE      4.20            #peak   437
  5 LYS  QB      6 ASN  H       3.94            #peak   135
  7 GLY  QA     10 TYR  H       4.22            #peak   511
  7 GLY  QA     10 TYR  HB2     4.04            #peak   313
  7 GLY  QA     10 TYR  HB3     4.35            #peak   311
  7 GLY  QA     10 TYR  QD      3.80            #peak   377
  8 ILE  H       8 ILE  QG1     3.41            #peak   170
  8 ILE  HA      8 ILE  QG1     3.67            #peak   518
  8 ILE  QG1     9 GLY  H       5.01            #peak   255
 16 PHE  QD     20 GLU  QG      4.70            #peak   395
 19 VAL  H      20 GLU  QG      5.19            #peak   420
 20 GLU  H      20 GLU  QG      3.72            #peak   123
 20 GLU  HA     24 LEU  QB      4.58            #peak   541
 20 GLU  QG     21 ARG  H       4.88            #peak   251
 20 GLU  QG     22 ALA  H       5.34            #peak   252
 20 GLU  QG     24 LEU  QQD     4.78            #peak   441
 21 ARG  HA     24 LEU  QB      3.15            #peak   351
 24 LEU  H      24 LEU  QB      3.23            #peak   160
 24 LEU  H      25 GLY  QA      5.34            #peak   207
 25 GLY  QA     26 GLY  H       3.07            #peak   404
 28 ARG  H      28 ARG  QB      3.53            #peak    70
 28 ARG  QB     28 ARG  QD      3.50            #peak   359
 28 ARG  QB     28 ARG  HE      3.63            #peak   295
 29 ASP  H      29 ASP  QB      3.28            #peak    91
 29 ASP  QB     30 TYR  QD      5.18            #peak   287
 30 TYR  H      30 TYR  QB      3.54            #peak    52
 30 TYR  QB     31 ASN  H       4.38            #peak   261
 32 LYS  QB     32 LYS  QD      3.31            #peak   478
  4 ARG  QB      5 LYS  H       4.50 
 27 SER  HB2    28 ARG  H       5.50 
 28 ARG  QB     29 ASP  H       4.00 
  3 SER  HA      4 ARG  H       3.50 
  6 ASN  HA      7 GLY  H       3.50 
  7 GLY  QA      8 ILE  H       4.50 
 15 ALA  HA     16 PHE  H       4.00 
 18 ALA  HA     19 VAL  H       5.00 
 19 VAL  HA     20 GLU  H       3.50 
 21 ARG  HA     22 ALA  H       4.50 
 22 ALA  HA     23 VAL  H       4.00 
 24 LEU  HA     25 GLY  H       4.50 
 29 ASP  HA     30 TYR  H       4.00 
 30 TYR  HA     31 ASN  H       4.00 
 31 ASN  HA     32 LYS  H       4.00 
 20 GLU  HA     23 VAL  H       4.50 
 21 ARG  HA     24 LEU  H       4.00 
 16 PHE  HA     19 VAL  H       4.50 
 18 ALA  HA     21 ARG  H       4.00 
 22 ALA  HA     25 GLY  H       5.00 
 23 VAL  HA     26 GLY  H       5.00 
 13 GLY  QA     16 PHE  H       4.50 
 10 TYR  HA     13 GLY  H       5.00 
  9 GLY  QA     12 ILE  H       5.00 
 12 ILE  HA     16 PHE  H       5.00 
 14 TYR  HA     18 ALA  H       5.00 
 17 GLY  HA2    21 ARG  H       5.50 
 18 ALA  HA     22 ALA  H       5.50 
 20 GLU  HA     24 LEU  H       5.00 
  8 ILE  H       9 GLY  H       4.50 
 25 GLY  H      26 GLY  H       4.00 
 28 ARG  H      29 ASP  H       4.00 
 30 TYR  H      31 ASN  H       4.00 
 31 ASN  H      32 LYS  H       4.00 
  9 GLY  H      11 ALA  H       5.00 
 11 ALA  H      13 GLY  H       5.00 
 13 GLY  H      15 ALA  H       5.00 
 16 PHE  H      18 ALA  H       5.00 
 18 ALA  H      20 GLU  H       5.00 
 24 LEU  H      26 GLY  H       5.50 
   2 ARG   PHI    -147.8   -44.1
   2 ARG   PSI      89.8   181.7
  10 TYR   PHI     -76.9   -51.0
  10 TYR   PSI     -61.2   -13.4
  11 ALA   PHI     -71.4   -51.4
  11 ALA   PSI     -61.4   -13.6
  12 ILE   PHI     -90.7   -41.9
  12 ILE   PSI     -52.1   -32.1
  13 GLY   PHI     -73.5   -49.8
  13 GLY   PSI     -54.1   -28.2
  14 TYR   PHI     -75.2   -55.2
  14 TYR   PSI     -52.0   -31.1
  15 ALA   PHI     -73.3   -53.3
  15 ALA   PSI     -60.2   -15.1
  16 PHE   PHI     -86.0   -47.2
  16 PHE   PSI     -70.5    -2.3
  17 GLY   PHI     -74.1   -54.1
  17 GLY   PSI     -50.3   -30.3
  18 ALA   PHI     -75.2   -55.2
  18 ALA   PSI     -48.6   -28.6
  19 VAL   PHI     -89.2   -47.5
  19 VAL   PSI     -61.0   -20.9
  20 GLU   PHI     -75.3   -55.3
  20 GLU   PSI     -55.7   -25.4
  21 ARG   PHI     -77.7   -57.7
  21 ARG   PSI     -52.7   -26.6
  22 ALA   PHI     -75.7   -55.7
  22 ALA   PSI     -54.9   -26.7
  23 VAL   PHI     -87.8   -49.5
  23 VAL   PSI     -56.5   -25.4
  24 LEU   PHI     -88.5   -48.5
  24 LEU   PSI     -67.7    12.3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H        ARG   1   1.807   0.001   0.855
    2    HA   ARG   1           HA       ARG   1   2.185  -1.023  -1.575
    3    HB2  ARG   1           HB2      ARG   1   0.872   1.648  -1.846
    4    HB3  ARG   1           HB3      ARG   1   2.086   1.176  -3.027
    5    HG2  ARG   1           HG2      ARG   1  -0.334  -0.482  -2.361
    6    HG3  ARG   1           HG3      ARG   1  -0.265   0.682  -3.685
    7    HD2  ARG   1           HD2      ARG   1   0.948  -0.689  -4.981
    8    HD3  ARG   1           HD3      ARG   1   1.972  -1.200  -3.639
    9    HE   ARG   1           HE       ARG   1   0.625  -3.030  -3.351
   10   HH11  ARG   1          HH11      ARG   1  -0.997  -0.719  -5.388
   11   HH12  ARG   1          HH12      ARG   1  -2.294  -1.793  -5.796
   12   HH21  ARG   1          HH21      ARG   1  -1.077  -4.453  -3.880
   13   HH22  ARG   1          HH22      ARG   1  -2.339  -3.917  -4.937
   14    H    ARG   2           H        ARG   2   2.797   1.792   0.405
   15    HA   ARG   2           HA       ARG   2   5.413   2.272  -0.709
   16    HB2  ARG   2           HB2      ARG   2   3.868   3.433   1.596
   17    HB3  ARG   2           HB3      ARG   2   5.564   3.825   1.346
   18    HG2  ARG   2           HG2      ARG   2   4.701   4.368  -1.096
   19    HG3  ARG   2           HG3      ARG   2   3.180   4.606  -0.232
   20    HD2  ARG   2           HD2      ARG   2   5.570   5.845   0.977
   21    HD3  ARG   2           HD3      ARG   2   5.036   6.530  -0.557
   22    HE   ARG   2           HE       ARG   2   3.743   6.777   1.983
   23   HH11  ARG   2          HH11      ARG   2   3.227   6.713  -1.459
   24   HH12  ARG   2          HH12      ARG   2   1.766   7.641  -1.389
   25   HH21  ARG   2          HH21      ARG   2   1.820   7.999   2.089
   26   HH22  ARG   2          HH22      ARG   2   0.967   8.373   0.629
   27    H    SER   3           H        SER   3   6.545   0.348  -0.414
   28    HA   SER   3           HA       SER   3   7.833   0.069   2.120
   29    HB2  SER   3           HB2      SER   3   5.464  -1.407   1.801
   30    HB3  SER   3           HB3      SER   3   6.774  -2.563   1.561
   31    HG   SER   3           HG       SER   3   5.873  -1.643   3.841
   32    H    ARG   4           H        ARG   4   7.134  -1.347  -1.037
   33    HA   ARG   4           HA       ARG   4   9.691  -2.709  -1.127
   34    HB2  ARG   4           HB2      ARG   4   7.424  -3.480  -2.164
   35    HB3  ARG   4           HB3      ARG   4   7.860  -2.400  -3.482
   36    HG2  ARG   4           HG2      ARG   4   8.759  -4.317  -4.282
   37    HG3  ARG   4           HG3      ARG   4  10.136  -3.750  -3.335
   38    HD2  ARG   4           HD2      ARG   4   9.673  -5.236  -1.574
   39    HD3  ARG   4           HD3      ARG   4   8.045  -5.561  -2.169
   40    HE   ARG   4           HE       ARG   4  10.433  -6.902  -2.928
   41   HH11  ARG   4          HH11      ARG   4   7.354  -5.815  -4.135
   42   HH12  ARG   4          HH12      ARG   4   7.262  -7.029  -5.368
   43   HH21  ARG   4          HH21      ARG   4  10.324  -8.504  -4.548
   44   HH22  ARG   4          HH22      ARG   4   8.952  -8.558  -5.602
   45    H    LYS   5           H        LYS   5  10.338  -0.184  -0.741
   46    HA   LYS   5           HA       LYS   5  11.940   0.488  -2.947
   47    HB2  LYS   5           HB2      LYS   5   9.940   1.252  -4.033
   48    HB3  LYS   5           HB3      LYS   5   9.436   2.140  -2.600
   49    HG2  LYS   5           HG2      LYS   5  10.723   3.911  -3.087
   50    HG3  LYS   5           HG3      LYS   5  12.055   2.914  -3.676
   51    HD2  LYS   5           HD2      LYS   5  11.349   3.020  -5.812
   52    HD3  LYS   5           HD3      LYS   5   9.649   2.871  -5.360
   53    HE2  LYS   5           HE2      LYS   5  11.089   5.403  -4.734
   54    HE3  LYS   5           HE3      LYS   5  10.597   5.097  -6.399
   55    HZ1  LYS   5           HZ1      LYS   5   8.778   5.061  -4.051
   56    HZ2  LYS   5           HZ2      LYS   5   8.326   4.846  -5.667
   57    HZ3  LYS   5           HZ3      LYS   5   8.924   6.341  -5.148
   58    H    ASN   6           H        ASN   6  10.211   1.777  -0.138
   59    HA   ASN   6           HA       ASN   6  11.964   3.852   0.504
   60    HB2  ASN   6           HB2      ASN   6   9.782   2.438   1.796
   61    HB3  ASN   6           HB3      ASN   6  11.038   2.878   2.951
   62   HD21  ASN   6          HD21      ASN   6  11.668   5.115   3.064
   63   HD22  ASN   6          HD22      ASN   6  10.518   6.347   2.682
   64    H    GLY   7           H        GLY   7  12.163   0.411   1.106
   65    HA2  GLY   7           HA2      GLY   7  13.906  -0.893   1.839
   66    HA3  GLY   7           HA3      GLY   7  14.950   0.495   1.568
   67    H    ILE   8           H        ILE   8  13.300  -1.415   3.886
   68    HA   ILE   8           HA       ILE   8  13.292   0.343   6.082
   69    HB   ILE   8           HB       ILE   8  13.625  -2.654   6.206
   70   HG12  ILE   8          HG12      ILE   8  10.938  -1.936   6.648
   71   HG13  ILE   8          HG13      ILE   8  11.438  -1.062   5.205
   72   HG21  ILE   8          HG21      ILE   8  12.492  -2.424   8.370
   73   HG22  ILE   8          HG22      ILE   8  14.006  -1.523   8.321
   74   HG23  ILE   8          HG23      ILE   8  12.469  -0.673   8.163
   75   HD11  ILE   8          HD11      ILE   8  10.626  -3.727   5.399
   76   HD12  ILE   8          HD12      ILE   8  11.284  -2.899   3.987
   77   HD13  ILE   8          HD13      ILE   8  12.360  -3.771   5.078
   78    H    GLY   9           H        GLY   9  15.753  -1.859   4.828
   79    HA2  GLY   9           HA2      GLY   9  17.767  -0.414   6.368
   80    HA3  GLY   9           HA3      GLY   9  17.620  -2.135   6.689
   81    H    TYR  10           H        TYR  10  16.963  -1.073   3.485
   82    HA   TYR  10           HA       TYR  10  19.137  -2.626   2.453
   83    HB2  TYR  10           HB2      TYR  10  17.001  -0.925   1.184
   84    HB3  TYR  10           HB3      TYR  10  18.291  -1.647   0.229
   85    HD1  TYR  10           HD2      TYR  10  15.654  -2.572   2.702
   86    HD2  TYR  10           HD1      TYR  10  18.001  -3.779  -0.635
   87    HE1  TYR  10           HE2      TYR  10  14.371  -4.666   2.565
   88    HE2  TYR  10           HE1      TYR  10  16.724  -5.876  -0.783
   89    HH   TYR  10           HH       TYR  10  14.028  -6.544   1.431
   90    H    ALA  11           H        ALA  11  18.273   0.817   2.079
   91    HA   ALA  11           HA       ALA  11  20.813   1.528   1.010
   92    HB1  ALA  11           HB1      ALA  11  18.465   2.714   0.864
   93    HB2  ALA  11           HB2      ALA  11  19.067   3.573   2.282
   94    HB3  ALA  11           HB3      ALA  11  19.965   3.636   0.765
   95    H    ILE  12           H        ILE  12  19.289   2.108   4.179
   96    HA   ILE  12           HA       ILE  12  21.368   3.457   5.410
   97    HB   ILE  12           HB       ILE  12  19.471   1.484   6.689
   98   HG12  ILE  12          HG12      ILE  12  18.895   4.260   7.185
   99   HG13  ILE  12          HG13      ILE  12  18.983   3.974   5.450
  100   HG21  ILE  12          HG21      ILE  12  19.918   2.857   8.743
  101   HG22  ILE  12          HG22      ILE  12  21.271   1.871   8.193
  102   HG23  ILE  12          HG23      ILE  12  21.254   3.604   7.868
  103   HD11  ILE  12          HD11      ILE  12  17.381   2.079   5.783
  104   HD12  ILE  12          HD12      ILE  12  17.183   2.636   7.445
  105   HD13  ILE  12          HD13      ILE  12  16.730   3.686   6.103
  106    H    GLY  13           H        GLY  13  20.761  -0.057   5.393
  107    HA2  GLY  13           HA2      GLY  13  23.050  -0.763   6.878
  108    HA3  GLY  13           HA3      GLY  13  22.152  -1.834   5.812
  109    H    TYR  14           H        TYR  14  22.584  -0.156   3.457
  110    HA   TYR  14           HA       TYR  14  24.872  -1.364   2.433
  111    HB2  TYR  14           HB2      TYR  14  22.934  -0.248   1.176
  112    HB3  TYR  14           HB3      TYR  14  23.804   1.264   1.415
  113    HD1  TYR  14           HD2      TYR  14  26.026   1.589   0.360
  114    HD2  TYR  14           HD1      TYR  14  23.645  -1.841  -0.453
  115    HE1  TYR  14           HE2      TYR  14  27.380   1.131  -1.641
  116    HE2  TYR  14           HE1      TYR  14  24.993  -2.310  -2.456
  117    HH   TYR  14           HH       TYR  14  26.667  -1.641  -3.747
  118    H    ALA  15           H        ALA  15  24.448   2.000   3.528
  119    HA   ALA  15           HA       ALA  15  27.169   2.716   3.173
  120    HB1  ALA  15           HB1      ALA  15  26.508   4.638   4.734
  121    HB2  ALA  15           HB2      ALA  15  25.670   4.506   3.187
  122    HB3  ALA  15           HB3      ALA  15  24.883   3.956   4.667
  123    H    PHE  16           H        PHE  16  25.362   1.312   5.820
  124    HA   PHE  16           HA       PHE  16  27.206   1.780   7.890
  125    HB2  PHE  16           HB2      PHE  16  24.785   0.264   7.514
  126    HB3  PHE  16           HB3      PHE  16  25.960  -0.694   8.408
  127    HD1  PHE  16           HD2      PHE  16  27.231   0.751  10.293
  128    HD2  PHE  16           HD1      PHE  16  23.340   1.529   8.752
  129    HE1  PHE  16           HE2      PHE  16  26.665   1.977  12.350
  130    HE2  PHE  16           HE1      PHE  16  22.769   2.757  10.806
  131    HZ   PHE  16           HZ       PHE  16  24.432   2.981  12.609
  132    H    GLY  17           H        GLY  17  26.872  -0.906   5.602
  133    HA2  GLY  17           HA2      GLY  17  28.853  -2.575   6.677
  134    HA3  GLY  17           HA3      GLY  17  28.323  -2.579   5.002
  135    H    ALA  18           H        ALA  18  29.097   0.211   4.566
  136    HA   ALA  18           HA       ALA  18  31.823  -0.264   3.825
  137    HB1  ALA  18           HB1      ALA  18  30.353   1.023   2.381
  138    HB2  ALA  18           HB2      ALA  18  30.161   2.246   3.638
  139    HB3  ALA  18           HB3      ALA  18  31.735   1.997   2.881
  140    H    VAL  19           H        VAL  19  30.190   1.802   6.195
  141    HA   VAL  19           HA       VAL  19  32.348   3.266   7.123
  142    HB   VAL  19           HB       VAL  19  29.993   2.209   8.692
  143   HG11  VAL  19          HG11      VAL  19  30.634   4.369  10.063
  144   HG12  VAL  19          HG12      VAL  19  31.385   2.810  10.407
  145   HG13  VAL  19          HG13      VAL  19  32.243   4.009   9.437
  146   HG21  VAL  19          HG21      VAL  19  28.823   3.709   7.545
  147   HG22  VAL  19          HG22      VAL  19  29.816   4.979   8.259
  148   HG23  VAL  19          HG23      VAL  19  30.275   4.266   6.713
  149    H    GLU  20           H        GLU  20  31.536  -0.072   7.676
  150    HA   GLU  20           HA       GLU  20  33.272  -0.430   9.926
  151    HB2  GLU  20           HB2      GLU  20  32.389  -2.678   8.150
  152    HB3  GLU  20           HB3      GLU  20  32.636  -2.672   9.890
  153    HG2  GLU  20           HG2      GLU  20  30.633  -0.906   9.730
  154    HG3  GLU  20           HG3      GLU  20  30.279  -1.883   8.306
  155    H    ARG  21           H        ARG  21  33.474  -1.170   6.462
  156    HA   ARG  21           HA       ARG  21  35.959  -2.444   6.478
  157    HB2  ARG  21           HB2      ARG  21  34.222  -1.180   4.472
  158    HB3  ARG  21           HB3      ARG  21  35.931  -1.171   4.055
  159    HG2  ARG  21           HG2      ARG  21  35.817  -3.287   3.429
  160    HG3  ARG  21           HG3      ARG  21  35.242  -3.757   5.030
  161    HD2  ARG  21           HD2      ARG  21  33.055  -3.765   4.393
  162    HD3  ARG  21           HD3      ARG  21  33.287  -2.494   3.194
  163    HE   ARG  21           HE       ARG  21  34.643  -4.751   2.295
  164   HH11  ARG  21          HH11      ARG  21  31.372  -3.759   2.957
  165   HH12  ARG  21          HH12      ARG  21  30.674  -4.809   1.768
  166   HH21  ARG  21          HH21      ARG  21  33.736  -6.138   0.727
  167   HH22  ARG  21          HH22      ARG  21  32.020  -6.162   0.501
  168    H    ALA  22           H        ALA  22  35.120   0.928   6.652
  169    HA   ALA  22           HA       ALA  22  37.564   2.066   5.873
  170    HB1  ALA  22           HB1      ALA  22  35.862   3.303   7.999
  171    HB2  ALA  22           HB2      ALA  22  36.745   4.074   6.680
  172    HB3  ALA  22           HB3      ALA  22  35.267   3.173   6.344
  173    H    VAL  23           H        VAL  23  36.358   1.192   9.107
  174    HA   VAL  23           HA       VAL  23  38.870   1.848  10.358
  175    HB   VAL  23           HB       VAL  23  36.708   0.231  11.671
  176   HG11  VAL  23          HG11      VAL  23  37.682   0.829  13.617
  177   HG12  VAL  23          HG12      VAL  23  39.098   1.065  12.591
  178   HG13  VAL  23          HG13      VAL  23  38.094   2.444  13.040
  179   HG21  VAL  23          HG21      VAL  23  35.793   2.522  12.381
  180   HG22  VAL  23          HG22      VAL  23  36.659   3.150  10.979
  181   HG23  VAL  23          HG23      VAL  23  35.396   1.939  10.765
  182    H    LEU  24           H        LEU  24  37.345  -0.980   9.043
  183    HA   LEU  24           HA       LEU  24  38.690  -3.019  10.359
  184    HB2  LEU  24           HB2      LEU  24  36.906  -2.884   8.315
  185    HB3  LEU  24           HB3      LEU  24  38.360  -3.398   7.463
  186    HG   LEU  24           HG       LEU  24  38.385  -5.168   9.479
  187   HD11  LEU  24          HD11      LEU  24  35.979  -5.959   9.676
  188   HD12  LEU  24          HD12      LEU  24  35.518  -4.358   9.102
  189   HD13  LEU  24          HD13      LEU  24  36.425  -4.527  10.604
  190   HD21  LEU  24          HD21      LEU  24  36.533  -5.819   7.257
  191   HD22  LEU  24          HD22      LEU  24  37.921  -6.714   7.878
  192   HD23  LEU  24          HD23      LEU  24  38.169  -5.314   6.833
  193    H    GLY  25           H        GLY  25  39.664  -1.254   7.424
  194    HA2  GLY  25           HA2      GLY  25  42.187  -2.626   7.260
  195    HA3  GLY  25           HA3      GLY  25  41.676  -1.259   6.281
  196    H    GLY  26           H        GLY  26  41.468   0.848   7.670
  197    HA2  GLY  26           HA2      GLY  26  43.970   1.047   9.226
  198    HA3  GLY  26           HA3      GLY  26  43.294   2.350   8.260
  199    H    SER  27           H        SER  27  43.502   0.983  11.337
  200    HA   SER  27           HA       SER  27  41.116   1.619  12.570
  201    HB2  SER  27           HB2      SER  27  43.564   2.263  14.111
  202    HB3  SER  27           HB3      SER  27  42.209   1.216  14.531
  203    HG   SER  27           HG       SER  27  43.772  -0.211  14.157
  204    H    ARG  28           H        ARG  28  40.044   3.448  12.872
  205    HA   ARG  28           HA       ARG  28  41.222   5.973  12.155
  206    HB2  ARG  28           HB2      ARG  28  38.487   5.169  13.134
  207    HB3  ARG  28           HB3      ARG  28  38.931   6.847  12.850
  208    HG2  ARG  28           HG2      ARG  28  39.516   5.040  10.620
  209    HG3  ARG  28           HG3      ARG  28  37.803   5.206  11.011
  210    HD2  ARG  28           HD2      ARG  28  38.111   6.930   9.511
  211    HD3  ARG  28           HD3      ARG  28  38.340   7.752  11.054
  212    HE   ARG  28           HE       ARG  28  40.846   6.940  10.308
  213   HH11  ARG  28          HH11      ARG  28  38.341   8.897   8.887
  214   HH12  ARG  28          HH12      ARG  28  39.444   9.903   8.008
  215   HH21  ARG  28          HH21      ARG  28  42.309   8.258   9.156
  216   HH22  ARG  28          HH22      ARG  28  41.701   9.538   8.161
  217    H    ASP  29           H        ASP  29  42.875   6.123  13.764
  218    HA   ASP  29           HA       ASP  29  42.225   7.733  15.948
  219    HB2  ASP  29           HB2      ASP  29  41.787   4.978  16.474
  220    HB3  ASP  29           HB3      ASP  29  43.226   5.459  17.370
  221    H    TYR  30           H        TYR  30  44.049   8.550  16.985
  222    HA   TYR  30           HA       TYR  30  46.616   7.427  16.906
  223    HB2  TYR  30           HB2      TYR  30  45.910   8.330  14.405
  224    HB3  TYR  30           HB3      TYR  30  46.783   9.707  15.069
  225    HD1  TYR  30           HD1      TYR  30  47.234   5.993  15.220
  226    HD2  TYR  30           HD2      TYR  30  48.963   9.780  14.340
  227    HE1  TYR  30           HE1      TYR  30  49.367   4.889  14.690
  228    HE2  TYR  30           HE2      TYR  30  51.100   8.686  13.807
  229    HH   TYR  30           HH       TYR  30  51.973   5.806  14.732
  230    H    ASN  31           H        ASN  31  47.377   8.260  18.725
  231    HA   ASN  31           HA       ASN  31  47.982  10.962  19.082
  232    HB2  ASN  31           HB2      ASN  31  45.264  10.429  19.589
  233    HB3  ASN  31           HB3      ASN  31  46.023  10.603  21.168
  234   HD21  ASN  31          HD21      ASN  31  45.969  12.577  21.927
  235   HD22  ASN  31          HD22      ASN  31  46.007  14.034  20.998
  236    H    LYS  32           H        LYS  32  49.762  10.781  20.255
  237    HA   LYS  32           HA       LYS  32  51.297  10.045  21.768
  238    HB2  LYS  32           HB2      LYS  32  48.828  10.503  23.166
  239    HB3  LYS  32           HB3      LYS  32  49.693   9.171  23.922
  240    HG2  LYS  32           HG2      LYS  32  51.523  10.501  24.459
  241    HG3  LYS  32           HG3      LYS  32  51.086  11.742  23.282
  242    HD2  LYS  32           HD2      LYS  32  49.226  12.445  24.624
  243    HD3  LYS  32           HD3      LYS  32  49.451  11.089  25.731
  244    HE2  LYS  32           HE2      LYS  32  51.903  12.266  25.807
  245    HE3  LYS  32           HE3      LYS  32  50.852  13.664  25.581
  246    HZ1  LYS  32           HZ1      LYS  32  51.195  11.984  27.889
  247    HZ2  LYS  32           HZ2      LYS  32  49.572  12.243  27.492
  248    HZ3  LYS  32           HZ3      LYS  32  50.593  13.561  27.780
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   5.222   6.270   3.765
    2    HA   ARG   1           HA       ARG   1   4.265   3.950   4.118
    3    HB2  ARG   1           HB2      ARG   1   2.168   4.777   2.867
    4    HB3  ARG   1           HB3      ARG   1   3.076   4.439   1.399
    5    HG2  ARG   1           HG2      ARG   1   2.963   2.184   1.679
    6    HG3  ARG   1           HG3      ARG   1   2.907   2.294   3.440
    7    HD2  ARG   1           HD2      ARG   1   0.577   3.497   2.802
    8    HD3  ARG   1           HD3      ARG   1   0.724   2.363   1.460
    9    HE   ARG   1           HE       ARG   1   0.201   1.731   4.219
   10   HH11  ARG   1          HH11      ARG   1   1.400   0.543   1.174
   11   HH12  ARG   1          HH12      ARG   1   1.088  -1.119   1.551
   12   HH21  ARG   1          HH21      ARG   1  -0.215  -0.453   4.727
   13   HH22  ARG   1          HH22      ARG   1   0.168  -1.685   3.572
   14    H    ARG   2           H        ARG   2   5.652   5.823   1.539
   15    HA   ARG   2           HA       ARG   2   6.899   3.710   0.129
   16    HB2  ARG   2           HB2      ARG   2   6.958   6.631   0.113
   17    HB3  ARG   2           HB3      ARG   2   8.519   5.914  -0.263
   18    HG2  ARG   2           HG2      ARG   2   7.472   6.201  -2.331
   19    HG3  ARG   2           HG3      ARG   2   7.276   4.486  -1.962
   20    HD2  ARG   2           HD2      ARG   2   5.188   5.277  -2.783
   21    HD3  ARG   2           HD3      ARG   2   5.011   5.036  -1.046
   22    HE   ARG   2           HE       ARG   2   5.665   7.641  -1.208
   23   HH11  ARG   2          HH11      ARG   2   3.283   5.705  -2.850
   24   HH12  ARG   2          HH12      ARG   2   2.167   7.016  -3.052
   25   HH21  ARG   2          HH21      ARG   2   4.205   9.374  -1.467
   26   HH22  ARG   2          HH22      ARG   2   2.693   9.102  -2.265
   27    H    SER   3           H        SER   3   8.296   2.348   1.030
   28    HA   SER   3           HA       SER   3  10.790   3.203   2.034
   29    HB2  SER   3           HB2      SER   3   9.954   3.770   4.110
   30    HB3  SER   3           HB3      SER   3   8.651   2.585   4.027
   31    HG   SER   3           HG       SER   3  11.038   2.346   5.187
   32    H    ARG   4           H        ARG   4   8.741   0.508   3.120
   33    HA   ARG   4           HA       ARG   4  10.778  -1.381   2.306
   34    HB2  ARG   4           HB2      ARG   4   8.155  -1.644   3.763
   35    HB3  ARG   4           HB3      ARG   4   9.079  -3.050   3.253
   36    HG2  ARG   4           HG2      ARG   4  10.855  -1.308   4.600
   37    HG3  ARG   4           HG3      ARG   4   9.396  -1.458   5.581
   38    HD2  ARG   4           HD2      ARG   4  10.767  -3.858   4.411
   39    HD3  ARG   4           HD3      ARG   4  11.274  -3.163   5.950
   40    HE   ARG   4           HE       ARG   4   8.988  -4.788   5.485
   41   HH11  ARG   4          HH11      ARG   4  10.161  -2.122   7.391
   42   HH12  ARG   4          HH12      ARG   4   9.080  -2.421   8.712
   43   HH21  ARG   4          HH21      ARG   4   7.559  -5.192   7.217
   44   HH22  ARG   4          HH22      ARG   4   7.601  -4.168   8.612
   45    H    LYS   5           H        LYS   5  10.079  -0.292   0.033
   46    HA   LYS   5           HA       LYS   5   8.935  -2.445  -1.451
   47    HB2  LYS   5           HB2      LYS   5   7.071  -0.673  -0.472
   48    HB3  LYS   5           HB3      LYS   5   7.393  -0.032  -2.078
   49    HG2  LYS   5           HG2      LYS   5   6.707  -2.032  -3.122
   50    HG3  LYS   5           HG3      LYS   5   6.719  -2.919  -1.596
   51    HD2  LYS   5           HD2      LYS   5   4.656  -2.228  -1.054
   52    HD3  LYS   5           HD3      LYS   5   4.980  -0.571  -1.568
   53    HE2  LYS   5           HE2      LYS   5   3.342  -1.239  -3.058
   54    HE3  LYS   5           HE3      LYS   5   4.823  -1.552  -3.963
   55    HZ1  LYS   5           HZ1      LYS   5   3.130  -3.372  -4.010
   56    HZ2  LYS   5           HZ2      LYS   5   3.433  -3.627  -2.366
   57    HZ3  LYS   5           HZ3      LYS   5   4.670  -3.851  -3.498
   58    H    ASN   6           H        ASN   6  11.386  -0.918  -1.371
   59    HA   ASN   6           HA       ASN   6  11.876  -0.625  -4.106
   60    HB2  ASN   6           HB2      ASN   6  10.550   1.616  -3.041
   61    HB3  ASN   6           HB3      ASN   6  12.235   2.098  -3.218
   62   HD21  ASN   6          HD21      ASN   6  13.217   1.863  -5.310
   63   HD22  ASN   6          HD22      ASN   6  12.241   1.969  -6.732
   64    H    GLY   7           H        GLY   7  12.721   0.317  -0.828
   65    HA2  GLY   7           HA2      GLY   7  15.491  -0.421  -1.372
   66    HA3  GLY   7           HA3      GLY   7  15.213   1.228  -0.834
   67    H    ILE   8           H        ILE   8  14.091  -2.027   0.103
   68    HA   ILE   8           HA       ILE   8  13.639  -1.467   2.785
   69    HB   ILE   8           HB       ILE   8  14.602  -4.111   1.693
   70   HG12  ILE   8          HG12      ILE   8  11.795  -4.095   2.024
   71   HG13  ILE   8          HG13      ILE   8  12.201  -2.629   1.139
   72   HG21  ILE   8          HG21      ILE   8  14.624  -4.393   3.971
   73   HG22  ILE   8          HG22      ILE   8  13.320  -3.237   4.235
   74   HG23  ILE   8          HG23      ILE   8  12.959  -4.842   3.600
   75   HD11  ILE   8          HD11      ILE   8  12.312  -5.433   0.303
   76   HD12  ILE   8          HD12      ILE   8  12.059  -3.968  -0.646
   77   HD13  ILE   8          HD13      ILE   8  13.692  -4.451  -0.187
   78    H    GLY   9           H        GLY   9  16.590  -2.663   1.211
   79    HA2  GLY   9           HA2      GLY   9  18.110  -1.704   3.537
   80    HA3  GLY   9           HA3      GLY   9  18.351  -3.355   2.986
   81    H    TYR  10           H        TYR  10  17.685  -0.970   0.597
   82    HA   TYR  10           HA       TYR  10  20.211  -1.423  -0.666
   83    HB2  TYR  10           HB2      TYR  10  17.842   0.322  -1.292
   84    HB3  TYR  10           HB3      TYR  10  19.324   0.425  -2.235
   85    HD1  TYR  10           HD1      TYR  10  16.852  -2.099  -1.023
   86    HD2  TYR  10           HD2      TYR  10  19.564  -0.941  -4.090
   87    HE1  TYR  10           HE1      TYR  10  16.103  -3.998  -2.394
   88    HE2  TYR  10           HE2      TYR  10  18.822  -2.836  -5.470
   89    HH   TYR  10           HH       TYR  10  17.714  -4.866  -5.366
   90    H    ALA  11           H        ALA  11  18.656   1.580   0.479
   91    HA   ALA  11           HA       ALA  11  21.056   3.095   0.351
   92    HB1  ALA  11           HB1      ALA  11  18.279   3.553   1.097
   93    HB2  ALA  11           HB2      ALA  11  19.421   4.473   2.077
   94    HB3  ALA  11           HB3      ALA  11  19.438   4.633   0.321
   95    H    ILE  12           H        ILE  12  19.213   1.750   3.086
   96    HA   ILE  12           HA       ILE  12  20.848   2.603   5.154
   97    HB   ILE  12           HB       ILE  12  19.330  -0.003   4.986
   98   HG12  ILE  12          HG12      ILE  12  18.167   2.082   6.627
   99   HG13  ILE  12          HG13      ILE  12  18.386   2.634   4.970
  100   HG21  ILE  12          HG21      ILE  12  20.632  -0.357   6.830
  101   HG22  ILE  12          HG22      ILE  12  20.791   1.362   7.185
  102   HG23  ILE  12          HG23      ILE  12  19.292   0.517   7.573
  103   HD11  ILE  12          HD11      ILE  12  17.201   0.537   4.243
  104   HD12  ILE  12          HD12      ILE  12  16.794   0.284   5.941
  105   HD13  ILE  12          HD13      ILE  12  16.219   1.724   5.101
  106    H    GLY  13           H        GLY  13  21.010  -0.484   3.374
  107    HA2  GLY  13           HA2      GLY  13  23.288  -1.472   4.709
  108    HA3  GLY  13           HA3      GLY  13  22.714  -2.004   3.135
  109    H    TYR  14           H        TYR  14  22.940   0.709   2.000
  110    HA   TYR  14           HA       TYR  14  25.482   0.514   0.879
  111    HB2  TYR  14           HB2      TYR  14  23.448   1.834   0.045
  112    HB3  TYR  14           HB3      TYR  14  23.984   3.117   1.123
  113    HD1  TYR  14           HD2      TYR  14  26.161   4.238   0.722
  114    HD2  TYR  14           HD1      TYR  14  24.562   1.406  -2.023
  115    HE1  TYR  14           HE2      TYR  14  27.705   5.053  -1.010
  116    HE2  TYR  14           HE1      TYR  14  26.102   2.214  -3.762
  117    HH   TYR  14           HH       TYR  14  28.749   3.829  -3.268
  118    H    ALA  15           H        ALA  15  24.333   2.757   3.397
  119    HA   ALA  15           HA       ALA  15  26.876   3.922   3.865
  120    HB1  ALA  15           HB1      ALA  15  24.296   3.901   5.394
  121    HB2  ALA  15           HB2      ALA  15  25.746   4.669   6.042
  122    HB3  ALA  15           HB3      ALA  15  25.057   5.230   4.519
  123    H    PHE  16           H        PHE  16  25.088   1.295   5.420
  124    HA   PHE  16           HA       PHE  16  26.692   0.851   7.628
  125    HB2  PHE  16           HB2      PHE  16  24.662  -0.588   6.192
  126    HB3  PHE  16           HB3      PHE  16  25.947  -1.697   6.657
  127    HD1  PHE  16           HD2      PHE  16  26.797  -1.270   9.178
  128    HD2  PHE  16           HD1      PHE  16  22.926  -0.360   7.659
  129    HE1  PHE  16           HE2      PHE  16  25.881  -1.374  11.459
  130    HE2  PHE  16           HE1      PHE  16  22.004  -0.461   9.938
  131    HZ   PHE  16           HZ       PHE  16  23.481  -0.969  11.842
  132    H    GLY  17           H        GLY  17  27.015  -0.585   4.382
  133    HA2  GLY  17           HA2      GLY  17  29.254  -2.161   4.851
  134    HA3  GLY  17           HA3      GLY  17  28.840  -1.455   3.296
  135    H    ALA  18           H        ALA  18  29.056   1.288   4.207
  136    HA   ALA  18           HA       ALA  18  31.873   1.623   3.813
  137    HB1  ALA  18           HB1      ALA  18  30.562   4.047   4.626
  138    HB2  ALA  18           HB2      ALA  18  31.255   3.619   3.062
  139    HB3  ALA  18           HB3      ALA  18  29.586   3.190   3.433
  140    H    VAL  19           H        VAL  19  29.637   2.143   6.512
  141    HA   VAL  19           HA       VAL  19  31.343   3.362   8.319
  142    HB   VAL  19           HB       VAL  19  29.144   1.367   8.877
  143   HG11  VAL  19          HG11      VAL  19  30.874   2.987  10.679
  144   HG12  VAL  19          HG12      VAL  19  29.180   2.750  11.114
  145   HG13  VAL  19          HG13      VAL  19  30.238   1.356  10.891
  146   HG21  VAL  19          HG21      VAL  19  27.855   3.036   8.141
  147   HG22  VAL  19          HG22      VAL  19  28.293   3.877   9.628
  148   HG23  VAL  19          HG23      VAL  19  29.195   4.184   8.144
  149    H    GLU  20           H        GLU  20  31.183   0.023   7.320
  150    HA   GLU  20           HA       GLU  20  32.792  -0.992   9.463
  151    HB2  GLU  20           HB2      GLU  20  32.501  -2.376   6.820
  152    HB3  GLU  20           HB3      GLU  20  32.618  -3.073   8.429
  153    HG2  GLU  20           HG2      GLU  20  30.316  -1.695   8.670
  154    HG3  GLU  20           HG3      GLU  20  30.272  -2.096   6.954
  155    H    ARG  21           H        ARG  21  33.383  -0.156   6.065
  156    HA   ARG  21           HA       ARG  21  36.066  -0.923   5.939
  157    HB2  ARG  21           HB2      ARG  21  34.303   0.895   4.397
  158    HB3  ARG  21           HB3      ARG  21  36.034   1.141   4.212
  159    HG2  ARG  21           HG2      ARG  21  36.020  -1.469   3.847
  160    HG3  ARG  21           HG3      ARG  21  34.343  -1.158   3.394
  161    HD2  ARG  21           HD2      ARG  21  34.920  -0.002   1.523
  162    HD3  ARG  21           HD3      ARG  21  36.403   0.627   2.239
  163    HE   ARG  21           HE       ARG  21  36.132  -1.729   0.659
  164   HH11  ARG  21          HH11      ARG  21  37.928  -0.309   3.281
  165   HH12  ARG  21          HH12      ARG  21  39.340  -1.276   3.010
  166   HH21  ARG  21          HH21      ARG  21  37.984  -3.009   0.292
  167   HH22  ARG  21          HH22      ARG  21  39.371  -2.811   1.309
  168    H    ALA  22           H        ALA  22  34.557   1.993   7.169
  169    HA   ALA  22           HA       ALA  22  36.783   3.664   7.329
  170    HB1  ALA  22           HB1      ALA  22  34.687   4.644   7.722
  171    HB2  ALA  22           HB2      ALA  22  34.285   3.481   8.985
  172    HB3  ALA  22           HB3      ALA  22  35.517   4.708   9.277
  173    H    VAL  23           H        VAL  23  35.515   1.362   9.727
  174    HA   VAL  23           HA       VAL  23  37.723   1.830  11.524
  175    HB   VAL  23           HB       VAL  23  35.827  -0.486  11.752
  176   HG11  VAL  23          HG11      VAL  23  36.138   0.507  14.229
  177   HG12  VAL  23          HG12      VAL  23  37.217  -0.698  13.523
  178   HG13  VAL  23          HG13      VAL  23  37.668   1.007  13.511
  179   HG21  VAL  23          HG21      VAL  23  35.256   2.407  12.357
  180   HG22  VAL  23          HG22      VAL  23  34.339   1.313  11.321
  181   HG23  VAL  23          HG23      VAL  23  34.347   1.074  13.069
  182    H    LEU  24           H        LEU  24  36.908  -0.422   9.006
  183    HA   LEU  24           HA       LEU  24  38.487  -2.603   9.611
  184    HB2  LEU  24           HB2      LEU  24  36.956  -1.879   7.506
  185    HB3  LEU  24           HB3      LEU  24  38.562  -1.726   6.799
  186    HG   LEU  24           HG       LEU  24  38.947  -4.124   7.618
  187   HD11  LEU  24          HD11      LEU  24  37.012  -5.486   7.974
  188   HD12  LEU  24          HD12      LEU  24  35.935  -4.122   7.676
  189   HD13  LEU  24          HD13      LEU  24  36.959  -4.139   9.112
  190   HD21  LEU  24          HD21      LEU  24  38.085  -3.087   5.249
  191   HD22  LEU  24          HD22      LEU  24  36.845  -4.294   5.586
  192   HD23  LEU  24          HD23      LEU  24  38.542  -4.770   5.510
  193    H    GLY  25           H        GLY  25  39.425   0.488   8.189
  194    HA2  GLY  25           HA2      GLY  25  42.242  -0.289   8.609
  195    HA3  GLY  25           HA3      GLY  25  41.738   0.534   7.140
  196    H    GLY  26           H        GLY  26  40.154   1.448  10.052
  197    HA2  GLY  26           HA2      GLY  26  41.664   3.981  10.014
  198    HA3  GLY  26           HA3      GLY  26  40.003   3.806  10.563
  199    H    SER  27           H        SER  27  40.689   1.319  12.041
  200    HA   SER  27           HA       SER  27  41.047   2.366  14.572
  201    HB2  SER  27           HB2      SER  27  40.663  -0.176  13.487
  202    HB3  SER  27           HB3      SER  27  42.180  -0.304  14.378
  203    HG   SER  27           HG       SER  27  39.601   0.259  15.311
  204    H    ARG  28           H        ARG  28  42.908   1.751  16.080
  205    HA   ARG  28           HA       ARG  28  45.059   2.092  16.735
  206    HB2  ARG  28           HB2      ARG  28  45.223   0.187  14.873
  207    HB3  ARG  28           HB3      ARG  28  46.133   1.439  14.038
  208    HG2  ARG  28           HG2      ARG  28  47.336   1.571  16.414
  209    HG3  ARG  28           HG3      ARG  28  46.816  -0.115  16.455
  210    HD2  ARG  28           HD2      ARG  28  48.730  -0.500  15.345
  211    HD3  ARG  28           HD3      ARG  28  47.824   0.065  13.942
  212    HE   ARG  28           HE       ARG  28  48.962   2.284  15.209
  213   HH11  ARG  28          HH11      ARG  28  49.940  -0.549  13.438
  214   HH12  ARG  28          HH12      ARG  28  51.378   0.182  12.806
  215   HH21  ARG  28          HH21      ARG  28  50.852   3.258  14.384
  216   HH22  ARG  28          HH22      ARG  28  51.896   2.348  13.346
  217    H    ASP  29           H        ASP  29  45.016   4.296  17.013
  218    HA   ASP  29           HA       ASP  29  46.769   5.860  15.509
  219    HB2  ASP  29           HB2      ASP  29  45.243   5.958  13.709
  220    HB3  ASP  29           HB3      ASP  29  43.862   6.159  14.783
  221    H    TYR  30           H        TYR  30  47.092   7.920  16.404
  222    HA   TYR  30           HA       TYR  30  46.218   8.166  19.124
  223    HB2  TYR  30           HB2      TYR  30  47.952   9.887  17.354
  224    HB3  TYR  30           HB3      TYR  30  47.566  10.321  19.016
  225    HD1  TYR  30           HD2      TYR  30  48.938   7.455  17.050
  226    HD2  TYR  30           HD1      TYR  30  49.010   9.653  20.692
  227    HE1  TYR  30           HE2      TYR  30  50.811   6.071  17.840
  228    HE2  TYR  30           HE1      TYR  30  50.885   8.276  21.492
  229    HH   TYR  30           HH       TYR  30  51.735   5.818  20.931
  230    H    ASN  31           H        ASN  31  43.888   8.259  18.407
  231    HA   ASN  31           HA       ASN  31  42.851  10.816  18.828
  232    HB2  ASN  31           HB2      ASN  31  43.671  10.471  16.166
  233    HB3  ASN  31           HB3      ASN  31  41.918  10.301  16.140
  234   HD21  ASN  31          HD21      ASN  31  43.758  12.424  15.162
  235   HD22  ASN  31          HD22      ASN  31  43.163  13.886  15.866
  236    H    LYS  32           H        LYS  32  41.050  10.346  19.882
  237    HA   LYS  32           HA       LYS  32  39.114   9.344  20.531
  238    HB2  LYS  32           HB2      LYS  32  38.960   8.525  17.623
  239    HB3  LYS  32           HB3      LYS  32  37.627   8.496  18.770
  240    HG2  LYS  32           HG2      LYS  32  37.167  10.629  18.393
  241    HG3  LYS  32           HG3      LYS  32  38.840  11.104  18.697
  242    HD2  LYS  32           HD2      LYS  32  38.558  11.758  16.501
  243    HD3  LYS  32           HD3      LYS  32  39.252  10.147  16.306
  244    HE2  LYS  32           HE2      LYS  32  37.501   9.684  15.008
  245    HE3  LYS  32           HE3      LYS  32  36.530   9.683  16.479
  246    HZ1  LYS  32           HZ1      LYS  32  35.560  11.129  14.829
  247    HZ2  LYS  32           HZ2      LYS  32  36.997  12.011  14.694
  248    HZ3  LYS  32           HZ3      LYS  32  36.111  12.053  16.135
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1   4.695  -0.817  -1.415
    2    HA   ARG   1           HA       ARG   1   6.162   1.190  -2.998
    3    HB2  ARG   1           HB2      ARG   1   4.137   1.867  -1.477
    4    HB3  ARG   1           HB3      ARG   1   5.305   1.693  -0.174
    5    HG2  ARG   1           HG2      ARG   1   5.860   3.805  -0.565
    6    HG3  ARG   1           HG3      ARG   1   6.643   3.225  -2.036
    7    HD2  ARG   1           HD2      ARG   1   3.718   3.805  -2.072
    8    HD3  ARG   1           HD3      ARG   1   4.860   5.147  -2.129
    9    HE   ARG   1           HE       ARG   1   4.236   3.343  -4.243
   10   HH11  ARG   1          HH11      ARG   1   6.799   5.259  -2.872
   11   HH12  ARG   1          HH12      ARG   1   7.650   5.430  -4.371
   12   HH21  ARG   1          HH21      ARG   1   5.348   3.561  -6.223
   13   HH22  ARG   1          HH22      ARG   1   6.823   4.464  -6.277
   14    H    ARG   2           H        ARG   2   8.265   0.757  -2.960
   15    HA   ARG   2           HA       ARG   2   9.585   0.345  -0.403
   16    HB2  ARG   2           HB2      ARG   2  10.882  -1.597  -1.304
   17    HB3  ARG   2           HB3      ARG   2   9.179  -1.933  -1.027
   18    HG2  ARG   2           HG2      ARG   2   8.756  -1.595  -3.436
   19    HG3  ARG   2           HG3      ARG   2  10.490  -1.371  -3.677
   20    HD2  ARG   2           HD2      ARG   2   9.887  -3.787  -2.186
   21    HD3  ARG   2           HD3      ARG   2   9.105  -3.767  -3.766
   22    HE   ARG   2           HE       ARG   2  11.900  -4.057  -3.232
   23   HH11  ARG   2          HH11      ARG   2   9.570  -2.906  -5.549
   24   HH12  ARG   2          HH12      ARG   2  10.633  -3.090  -6.904
   25   HH21  ARG   2          HH21      ARG   2  13.309  -4.304  -5.009
   26   HH22  ARG   2          HH22      ARG   2  12.759  -3.887  -6.596
   27    H    SER   3           H        SER   3  11.320   1.602  -0.325
   28    HA   SER   3           HA       SER   3  13.292   1.796  -2.296
   29    HB2  SER   3           HB2      SER   3  11.015   3.361  -2.908
   30    HB3  SER   3           HB3      SER   3  12.273   4.482  -2.386
   31    HG   SER   3           HG       SER   3  13.322   4.097  -4.163
   32    H    ARG   4           H        ARG   4  11.605   3.349   0.362
   33    HA   ARG   4           HA       ARG   4  14.129   3.790   1.713
   34    HB2  ARG   4           HB2      ARG   4  13.164   5.876   0.231
   35    HB3  ARG   4           HB3      ARG   4  12.442   6.197   1.802
   36    HG2  ARG   4           HG2      ARG   4  15.261   5.504   1.978
   37    HG3  ARG   4           HG3      ARG   4  14.958   6.937   0.994
   38    HD2  ARG   4           HD2      ARG   4  13.532   7.793   2.887
   39    HD3  ARG   4           HD3      ARG   4  14.151   6.455   3.854
   40    HE   ARG   4           HE       ARG   4  16.232   8.021   2.667
   41   HH11  ARG   4          HH11      ARG   4  14.018   7.817   5.346
   42   HH12  ARG   4          HH12      ARG   4  15.005   8.772   6.403
   43   HH21  ARG   4          HH21      ARG   4  17.539   9.280   4.049
   44   HH22  ARG   4          HH22      ARG   4  17.007   9.604   5.663
   45    H    LYS   5           H        LYS   5  11.866   2.092   2.162
   46    HA   LYS   5           HA       LYS   5  11.322   2.817   4.904
   47    HB2  LYS   5           HB2      LYS   5   9.499   3.739   3.142
   48    HB3  LYS   5           HB3      LYS   5   8.852   2.127   3.420
   49    HG2  LYS   5           HG2      LYS   5   8.741   2.557   5.805
   50    HG3  LYS   5           HG3      LYS   5   9.455   4.154   5.566
   51    HD2  LYS   5           HD2      LYS   5   7.492   5.045   4.980
   52    HD3  LYS   5           HD3      LYS   5   7.131   3.716   3.876
   53    HE2  LYS   5           HE2      LYS   5   5.883   2.623   5.401
   54    HE3  LYS   5           HE3      LYS   5   6.954   3.050   6.734
   55    HZ1  LYS   5           HZ1      LYS   5   4.796   4.689   5.540
   56    HZ2  LYS   5           HZ2      LYS   5   5.975   5.347   6.558
   57    HZ3  LYS   5           HZ3      LYS   5   4.932   4.148   7.137
   58    H    ASN   6           H        ASN   6  10.625   0.602   2.227
   59    HA   ASN   6           HA       ASN   6   9.758  -1.605   3.653
   60    HB2  ASN   6           HB2      ASN   6  10.710  -1.069   0.995
   61    HB3  ASN   6           HB3      ASN   6  11.394  -2.588   1.566
   62   HD21  ASN   6          HD21      ASN   6  10.249  -4.179   0.742
   63   HD22  ASN   6          HD22      ASN   6   8.524  -4.276   0.704
   64    H    GLY   7           H        GLY   7  12.986  -0.333   3.274
   65    HA2  GLY   7           HA2      GLY   7  14.074  -2.655   4.727
   66    HA3  GLY   7           HA3      GLY   7  15.019  -1.543   3.747
   67    H    ILE   8           H        ILE   8  13.566  -2.122   6.841
   68    HA   ILE   8           HA       ILE   8  13.805   0.360   8.054
   69    HB   ILE   8           HB       ILE   8  14.295  -2.331   9.335
   70   HG12  ILE   8          HG12      ILE   8  11.764  -1.434  10.037
   71   HG13  ILE   8          HG13      ILE   8  11.892  -1.014   8.333
   72   HG21  ILE   8          HG21      ILE   8  15.096  -0.548  10.744
   73   HG22  ILE   8          HG22      ILE   8  13.591   0.344  10.531
   74   HG23  ILE   8          HG23      ILE   8  13.593  -1.183  11.412
   75   HD11  ILE   8          HD11      ILE   8  12.680  -3.440   8.019
   76   HD12  ILE   8          HD12      ILE   8  11.992  -3.707   9.622
   77   HD13  ILE   8          HD13      ILE   8  10.967  -3.133   8.306
   78    H    GLY   9           H        GLY   9  16.266  -1.930   7.175
   79    HA2  GLY   9           HA2      GLY   9  18.314   0.006   7.867
   80    HA3  GLY   9           HA3      GLY   9  18.387  -1.505   8.762
   81    H    TYR  10           H        TYR  10  17.197  -1.633   5.536
   82    HA   TYR  10           HA       TYR  10  19.306  -3.380   4.735
   83    HB2  TYR  10           HB2      TYR  10  16.895  -2.219   3.377
   84    HB3  TYR  10           HB3      TYR  10  18.114  -3.070   2.435
   85    HD1  TYR  10           HD1      TYR  10  16.096  -3.541   5.548
   86    HD2  TYR  10           HD2      TYR  10  17.824  -5.333   2.097
   87    HE1  TYR  10           HE1      TYR  10  15.051  -5.686   6.146
   88    HE2  TYR  10           HE2      TYR  10  16.783  -7.483   2.685
   89    HH   TYR  10           HH       TYR  10  14.743  -7.806   5.577
   90    H    ALA  11           H        ALA  11  18.218  -0.264   3.374
   91    HA   ALA  11           HA       ALA  11  20.588   0.092   1.838
   92    HB1  ALA  11           HB1      ALA  11  18.948   1.290   0.851
   93    HB2  ALA  11           HB2      ALA  11  18.136   1.641   2.376
   94    HB3  ALA  11           HB3      ALA  11  19.557   2.570   1.900
   95    H    ILE  12           H        ILE  12  19.374   1.652   4.801
   96    HA   ILE  12           HA       ILE  12  21.480   3.391   5.258
   97    HB   ILE  12           HB       ILE  12  19.855   1.914   7.332
   98   HG12  ILE  12          HG12      ILE  12  19.201   4.704   6.888
   99   HG13  ILE  12          HG13      ILE  12  19.038   3.770   5.405
  100   HG21  ILE  12          HG21      ILE  12  21.804   4.165   7.496
  101   HG22  ILE  12          HG22      ILE  12  20.431   4.126   8.601
  102   HG23  ILE  12          HG23      ILE  12  21.580   2.789   8.575
  103   HD11  ILE  12          HD11      ILE  12  16.990   3.328   6.169
  104   HD12  ILE  12          HD12      ILE  12  17.801   2.156   7.209
  105   HD13  ILE  12          HD13      ILE  12  17.408   3.761   7.827
  106    H    GLY  13           H        GLY  13  21.091   0.068   6.497
  107    HA2  GLY  13           HA2      GLY  13  23.575  -0.040   7.826
  108    HA3  GLY  13           HA3      GLY  13  22.626  -1.429   7.317
  109    H    TYR  14           H        TYR  14  22.697  -0.577   4.488
  110    HA   TYR  14           HA       TYR  14  24.879  -2.071   3.625
  111    HB2  TYR  14           HB2      TYR  14  22.776  -1.382   2.326
  112    HB3  TYR  14           HB3      TYR  14  23.629   0.116   1.971
  113    HD1  TYR  14           HD1      TYR  14  25.699   0.066   0.605
  114    HD2  TYR  14           HD2      TYR  14  23.328  -3.416   1.206
  115    HE1  TYR  14           HE1      TYR  14  26.817  -1.017  -1.300
  116    HE2  TYR  14           HE2      TYR  14  24.441  -4.509  -0.696
  117    HH   TYR  14           HH       TYR  14  26.507  -2.782  -2.855
  118    H    ALA  15           H        ALA  15  24.499   1.471   3.654
  119    HA   ALA  15           HA       ALA  15  27.140   2.005   2.768
  120    HB1  ALA  15           HB1      ALA  15  25.009   3.679   4.053
  121    HB2  ALA  15           HB2      ALA  15  26.613   4.330   3.713
  122    HB3  ALA  15           HB3      ALA  15  25.609   3.727   2.395
  123    H    PHE  16           H        PHE  16  25.655   1.711   5.950
  124    HA   PHE  16           HA       PHE  16  27.786   2.706   7.481
  125    HB2  PHE  16           HB2      PHE  16  25.316   1.242   7.960
  126    HB3  PHE  16           HB3      PHE  16  26.603   0.741   9.051
  127    HD1  PHE  16           HD1      PHE  16  28.031   2.924   9.897
  128    HD2  PHE  16           HD2      PHE  16  23.918   2.834   8.808
  129    HE1  PHE  16           HE1      PHE  16  27.622   4.908  11.293
  130    HE2  PHE  16           HE2      PHE  16  23.502   4.819  10.201
  131    HZ   PHE  16           HZ       PHE  16  25.355   5.859  11.445
  132    H    GLY  17           H        GLY  17  26.980  -0.637   6.555
  133    HA2  GLY  17           HA2      GLY  17  29.112  -1.908   7.834
  134    HA3  GLY  17           HA3      GLY  17  28.282  -2.520   6.412
  135    H    ALA  18           H        ALA  18  29.013  -0.172   4.798
  136    HA   ALA  18           HA       ALA  18  31.534  -1.147   3.852
  137    HB1  ALA  18           HB1      ALA  18  29.738  -0.299   2.362
  138    HB2  ALA  18           HB2      ALA  18  30.050   1.325   2.975
  139    HB3  ALA  18           HB3      ALA  18  31.304   0.462   2.085
  140    H    VAL  19           H        VAL  19  30.434   1.803   5.477
  141    HA   VAL  19           HA       VAL  19  32.764   3.294   5.392
  142    HB   VAL  19           HB       VAL  19  30.729   3.134   7.618
  143   HG11  VAL  19          HG11      VAL  19  32.988   5.058   7.132
  144   HG12  VAL  19          HG12      VAL  19  31.595   5.459   8.139
  145   HG13  VAL  19          HG13      VAL  19  32.647   4.114   8.582
  146   HG21  VAL  19          HG21      VAL  19  30.258   3.912   5.105
  147   HG22  VAL  19          HG22      VAL  19  29.475   4.658   6.498
  148   HG23  VAL  19          HG23      VAL  19  30.877   5.429   5.756
  149    H    GLU  20           H        GLU  20  31.937   0.568   7.425
  150    HA   GLU  20           HA       GLU  20  34.132   0.906   9.234
  151    HB2  GLU  20           HB2      GLU  20  32.745  -1.714   8.796
  152    HB3  GLU  20           HB3      GLU  20  33.394  -1.039  10.284
  153    HG2  GLU  20           HG2      GLU  20  31.495   0.780   9.751
  154    HG3  GLU  20           HG3      GLU  20  30.770  -0.644   9.007
  155    H    ARG  21           H        ARG  21  33.462  -1.292   6.520
  156    HA   ARG  21           HA       ARG  21  35.857  -2.725   6.601
  157    HB2  ARG  21           HB2      ARG  21  33.730  -2.244   4.608
  158    HB3  ARG  21           HB3      ARG  21  35.284  -2.740   3.950
  159    HG2  ARG  21           HG2      ARG  21  34.621  -4.395   6.188
  160    HG3  ARG  21           HG3      ARG  21  33.275  -4.361   5.047
  161    HD2  ARG  21           HD2      ARG  21  34.907  -4.879   3.229
  162    HD3  ARG  21           HD3      ARG  21  36.142  -5.089   4.470
  163    HE   ARG  21           HE       ARG  21  34.069  -6.735   5.207
  164   HH11  ARG  21          HH11      ARG  21  36.140  -6.388   2.431
  165   HH12  ARG  21          HH12      ARG  21  36.083  -8.070   2.015
  166   HH21  ARG  21          HH21      ARG  21  33.987  -8.951   4.671
  167   HH22  ARG  21          HH22      ARG  21  34.858  -9.526   3.290
  168    H    ALA  22           H        ALA  22  35.111   0.421   5.281
  169    HA   ALA  22           HA       ALA  22  37.270   0.799   3.568
  170    HB1  ALA  22           HB1      ALA  22  36.356   2.809   3.330
  171    HB2  ALA  22           HB2      ALA  22  35.195   2.367   4.582
  172    HB3  ALA  22           HB3      ALA  22  36.678   3.217   5.015
  173    H    VAL  23           H        VAL  23  37.025   1.569   7.038
  174    HA   VAL  23           HA       VAL  23  39.814   2.293   7.188
  175    HB   VAL  23           HB       VAL  23  38.073   1.789   9.580
  176   HG11  VAL  23          HG11      VAL  23  39.473   3.305  10.677
  177   HG12  VAL  23          HG12      VAL  23  40.572   2.365   9.665
  178   HG13  VAL  23          HG13      VAL  23  40.077   3.983   9.165
  179   HG21  VAL  23          HG21      VAL  23  36.657   3.114   8.202
  180   HG22  VAL  23          HG22      VAL  23  37.379   4.198   9.391
  181   HG23  VAL  23          HG23      VAL  23  37.990   4.170   7.737
  182    H    LEU  24           H        LEU  24  37.868  -0.527   7.769
  183    HA   LEU  24           HA       LEU  24  39.479  -1.978   9.500
  184    HB2  LEU  24           HB2      LEU  24  37.165  -2.453   8.173
  185    HB3  LEU  24           HB3      LEU  24  38.269  -3.514   7.301
  186    HG   LEU  24           HG       LEU  24  38.773  -4.034   9.989
  187   HD11  LEU  24          HD11      LEU  24  36.352  -4.713  10.626
  188   HD12  LEU  24          HD12      LEU  24  35.886  -3.438   9.502
  189   HD13  LEU  24          HD13      LEU  24  36.891  -3.056  10.900
  190   HD21  LEU  24          HD21      LEU  24  37.040  -5.509   8.008
  191   HD22  LEU  24          HD22      LEU  24  37.720  -6.195   9.484
  192   HD23  LEU  24          HD23      LEU  24  38.789  -5.660   8.185
  193    H    GLY  25           H        GLY  25  39.794  -1.439   6.044
  194    HA2  GLY  25           HA2      GLY  25  41.835  -3.403   5.642
  195    HA3  GLY  25           HA3      GLY  25  41.392  -2.119   4.527
  196    H    GLY  26           H        GLY  26  41.930   0.161   5.810
  197    HA2  GLY  26           HA2      GLY  26  44.842  -0.017   6.184
  198    HA3  GLY  26           HA3      GLY  26  43.960   1.422   5.692
  199    H    SER  27           H        SER  27  44.119   2.931   7.201
  200    HA   SER  27           HA       SER  27  43.126   2.545   9.826
  201    HB2  SER  27           HB2      SER  27  45.039   1.582  10.637
  202    HB3  SER  27           HB3      SER  27  46.059   2.314   9.399
  203    HG   SER  27           HG       SER  27  46.431   3.936  10.684
  204    H    ARG  28           H        ARG  28  41.992   4.391   9.755
  205    HA   ARG  28           HA       ARG  28  43.453   6.894   9.815
  206    HB2  ARG  28           HB2      ARG  28  42.553   6.138   7.379
  207    HB3  ARG  28           HB3      ARG  28  41.130   6.973   7.986
  208    HG2  ARG  28           HG2      ARG  28  42.418   8.985   8.347
  209    HG3  ARG  28           HG3      ARG  28  43.895   8.155   7.854
  210    HD2  ARG  28           HD2      ARG  28  43.480   8.810   5.771
  211    HD3  ARG  28           HD3      ARG  28  42.083   7.735   5.773
  212    HE   ARG  28           HE       ARG  28  40.709   9.563   5.970
  213   HH11  ARG  28          HH11      ARG  28  44.000  10.507   6.604
  214   HH12  ARG  28          HH12      ARG  28  43.649  12.203   6.613
  215   HH21  ARG  28          HH21      ARG  28  40.235  11.794   5.979
  216   HH22  ARG  28          HH22      ARG  28  41.507  12.935   6.259
  217    H    ASP  29           H        ASP  29  42.120   5.586  11.853
  218    HA   ASP  29           HA       ASP  29  40.479   7.590  12.889
  219    HB2  ASP  29           HB2      ASP  29  39.098   5.875  11.087
  220    HB3  ASP  29           HB3      ASP  29  38.529   5.510  12.714
  221    H    TYR  30           H        TYR  30  40.632   7.395  15.021
  222    HA   TYR  30           HA       TYR  30  40.332   4.877  16.363
  223    HB2  TYR  30           HB2      TYR  30  43.031   6.055  15.925
  224    HB3  TYR  30           HB3      TYR  30  42.692   5.369  17.510
  225    HD1  TYR  30           HD2      TYR  30  41.296   2.989  17.191
  226    HD2  TYR  30           HD1      TYR  30  44.190   4.634  14.542
  227    HE1  TYR  30           HE2      TYR  30  41.770   0.738  16.321
  228    HE2  TYR  30           HE1      TYR  30  44.672   2.387  13.664
  229    HH   TYR  30           HH       TYR  30  43.112   0.070  13.585
  230    H    ASN  31           H        ASN  31  39.269   7.658  16.313
  231    HA   ASN  31           HA       ASN  31  38.735   7.968  19.036
  232    HB2  ASN  31           HB2      ASN  31  41.269   9.005  18.323
  233    HB3  ASN  31           HB3      ASN  31  40.209  10.390  18.568
  234   HD21  ASN  31          HD21      ASN  31  38.564   9.546  20.545
  235   HD22  ASN  31          HD22      ASN  31  39.467   9.250  21.988
  236    H    LYS  32           H        LYS  32  36.667   8.430  18.528
  237    HA   LYS  32           HA       LYS  32  36.112  10.588  16.628
  238    HB2  LYS  32           HB2      LYS  32  33.841   9.775  16.585
  239    HB3  LYS  32           HB3      LYS  32  34.933   8.414  16.366
  240    HG2  LYS  32           HG2      LYS  32  34.670   7.892  18.782
  241    HG3  LYS  32           HG3      LYS  32  33.453   9.168  18.876
  242    HD2  LYS  32           HD2      LYS  32  31.888   7.925  17.829
  243    HD3  LYS  32           HD3      LYS  32  33.055   7.210  16.714
  244    HE2  LYS  32           HE2      LYS  32  33.877   5.962  18.868
  245    HE3  LYS  32           HE3      LYS  32  32.257   6.337  19.454
  246    HZ1  LYS  32           HZ1      LYS  32  32.698   4.135  18.189
  247    HZ2  LYS  32           HZ2      LYS  32  32.585   5.103  16.807
  248    HZ3  LYS  32           HZ3      LYS  32  31.281   5.007  17.880
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   3.683   0.928  -1.824
    2    HA   ARG   1           HA       ARG   1   4.804   1.412  -4.459
    3    HB2  ARG   1           HB2      ARG   1   4.801   3.447  -2.249
    4    HB3  ARG   1           HB3      ARG   1   6.106   3.405  -3.427
    5    HG2  ARG   1           HG2      ARG   1   4.783   4.853  -4.524
    6    HG3  ARG   1           HG3      ARG   1   3.997   3.376  -5.086
    7    HD2  ARG   1           HD2      ARG   1   2.114   4.264  -4.273
    8    HD3  ARG   1           HD3      ARG   1   2.756   3.845  -2.685
    9    HE   ARG   1           HE       ARG   1   3.115   6.072  -2.276
   10   HH11  ARG   1          HH11      ARG   1   2.516   5.605  -5.674
   11   HH12  ARG   1          HH12      ARG   1   2.412   7.299  -6.021
   12   HH21  ARG   1          HH21      ARG   1   2.979   8.305  -2.721
   13   HH22  ARG   1          HH22      ARG   1   2.676   8.834  -4.341
   14    H    ARG   2           H        ARG   2   5.903  -0.533  -4.188
   15    HA   ARG   2           HA       ARG   2   7.469  -1.131  -1.891
   16    HB2  ARG   2           HB2      ARG   2   6.523  -2.775  -3.599
   17    HB3  ARG   2           HB3      ARG   2   7.860  -2.304  -4.640
   18    HG2  ARG   2           HG2      ARG   2   9.021  -2.908  -2.173
   19    HG3  ARG   2           HG3      ARG   2   7.813  -4.164  -2.453
   20    HD2  ARG   2           HD2      ARG   2   9.937  -3.333  -4.426
   21    HD3  ARG   2           HD3      ARG   2  10.042  -4.735  -3.361
   22    HE   ARG   2           HE       ARG   2   7.720  -5.141  -4.682
   23   HH11  ARG   2          HH11      ARG   2  10.964  -4.426  -5.722
   24   HH12  ARG   2          HH12      ARG   2  10.810  -5.277  -7.224
   25   HH21  ARG   2          HH21      ARG   2   7.504  -6.264  -6.656
   26   HH22  ARG   2          HH22      ARG   2   8.841  -6.321  -7.754
   27    H    SER   3           H        SER   3   8.834   0.619  -1.506
   28    HA   SER   3           HA       SER   3  11.343   0.535  -2.846
   29    HB2  SER   3           HB2      SER   3  10.289   1.872  -4.536
   30    HB3  SER   3           HB3      SER   3   9.554   2.925  -3.327
   31    HG   SER   3           HG       SER   3  11.832   3.294  -4.526
   32    H    ARG   4           H        ARG   4   9.639   3.263  -1.330
   33    HA   ARG   4           HA       ARG   4  11.785   3.544   0.593
   34    HB2  ARG   4           HB2      ARG   4   9.346   5.156  -0.095
   35    HB3  ARG   4           HB3      ARG   4  10.249   5.481   1.379
   36    HG2  ARG   4           HG2      ARG   4  11.913   5.295  -1.018
   37    HG3  ARG   4           HG3      ARG   4  10.738   6.611  -1.048
   38    HD2  ARG   4           HD2      ARG   4  11.676   7.670   0.768
   39    HD3  ARG   4           HD3      ARG   4  12.376   6.183   1.406
   40    HE   ARG   4           HE       ARG   4  13.563   6.892  -1.074
   41   HH11  ARG   4          HH11      ARG   4  13.530   7.700   2.312
   42   HH12  ARG   4          HH12      ARG   4  15.150   8.314   2.315
   43   HH21  ARG   4          HH21      ARG   4  15.696   7.699  -1.083
   44   HH22  ARG   4          HH22      ARG   4  16.381   8.314   0.383
   45    H    LYS   5           H        LYS   5  10.810   1.176   1.153
   46    HA   LYS   5           HA       LYS   5   9.943   1.357   3.819
   47    HB2  LYS   5           HB2      LYS   5   7.833   1.631   2.016
   48    HB3  LYS   5           HB3      LYS   5   7.753  -0.049   2.530
   49    HG2  LYS   5           HG2      LYS   5   8.179   1.704   4.780
   50    HG3  LYS   5           HG3      LYS   5   6.742   2.167   3.866
   51    HD2  LYS   5           HD2      LYS   5   6.065  -0.271   3.953
   52    HD3  LYS   5           HD3      LYS   5   7.364  -0.497   5.126
   53    HE2  LYS   5           HE2      LYS   5   5.898   0.088   6.697
   54    HE3  LYS   5           HE3      LYS   5   5.986   1.726   6.051
   55    HZ1  LYS   5           HZ1      LYS   5   4.225   0.544   4.393
   56    HZ2  LYS   5           HZ2      LYS   5   3.802   1.474   5.741
   57    HZ3  LYS   5           HZ3      LYS   5   3.861  -0.212   5.862
   58    H    ASN   6           H        ASN   6   9.951  -0.635   0.897
   59    HA   ASN   6           HA       ASN   6   9.951  -3.152   2.093
   60    HB2  ASN   6           HB2      ASN   6   9.629  -3.046  -0.256
   61    HB3  ASN   6           HB3      ASN   6  11.131  -2.158  -0.498
   62   HD21  ASN   6          HD21      ASN   6   9.687  -5.255   0.063
   63   HD22  ASN   6          HD22      ASN   6  11.095  -6.201  -0.264
   64    H    GLY   7           H        GLY   7  12.488  -0.794   1.775
   65    HA2  GLY   7           HA2      GLY   7  14.577  -2.681   2.494
   66    HA3  GLY   7           HA3      GLY   7  14.781  -0.962   2.191
   67    H    ILE   8           H        ILE   8  13.447  -3.251   4.553
   68    HA   ILE   8           HA       ILE   8  13.042  -1.520   6.673
   69    HB   ILE   8           HB       ILE   8  14.026  -4.371   6.838
   70   HG12  ILE   8          HG12      ILE   8  11.968  -4.164   5.520
   71   HG13  ILE   8          HG13      ILE   8  11.649  -4.953   7.061
   72   HG21  ILE   8          HG21      ILE   8  12.648  -4.180   9.042
   73   HG22  ILE   8          HG22      ILE   8  14.306  -3.583   8.985
   74   HG23  ILE   8          HG23      ILE   8  12.958  -2.453   8.860
   75   HD11  ILE   8          HD11      ILE   8  11.104  -2.063   6.429
   76   HD12  ILE   8          HD12      ILE   8   9.906  -3.356   6.482
   77   HD13  ILE   8          HD13      ILE   8  10.755  -2.879   7.953
   78    H    GLY   9           H        GLY   9  16.008  -3.262   5.778
   79    HA2  GLY   9           HA2      GLY   9  17.521  -1.300   7.367
   80    HA3  GLY   9           HA3      GLY   9  17.826  -3.016   7.591
   81    H    TYR  10           H        TYR  10  17.026  -1.897   4.425
   82    HA   TYR  10           HA       TYR  10  19.554  -2.790   3.408
   83    HB2  TYR  10           HB2      TYR  10  17.092  -1.598   2.155
   84    HB3  TYR  10           HB3      TYR  10  18.557  -1.858   1.214
   85    HD1  TYR  10           HD1      TYR  10  16.487  -3.793   3.663
   86    HD2  TYR  10           HD2      TYR  10  18.595  -3.788  -0.033
   87    HE1  TYR  10           HE1      TYR  10  15.825  -6.132   3.290
   88    HE2  TYR  10           HE2      TYR  10  17.937  -6.127  -0.417
   89    HH   TYR  10           HH       TYR  10  15.554  -7.698   1.452
   90    H    ALA  11           H        ALA  11  17.867   0.345   3.149
   91    HA   ALA  11           HA       ALA  11  20.085   1.781   2.206
   92    HB1  ALA  11           HB1      ALA  11  18.702   3.557   2.174
   93    HB2  ALA  11           HB2      ALA  11  17.462   2.343   2.494
   94    HB3  ALA  11           HB3      ALA  11  18.139   3.284   3.823
   95    H    ILE  12           H        ILE  12  18.787   1.429   5.497
   96    HA   ILE  12           HA       ILE  12  20.629   3.108   6.782
   97    HB   ILE  12           HB       ILE  12  19.368   0.661   8.012
   98   HG12  ILE  12          HG12      ILE  12  17.845   2.936   8.645
   99   HG13  ILE  12          HG13      ILE  12  18.118   3.022   6.908
  100   HG21  ILE  12          HG21      ILE  12  21.060   1.713   9.386
  101   HG22  ILE  12          HG22      ILE  12  20.290   3.285   9.175
  102   HG23  ILE  12          HG23      ILE  12  19.462   2.011  10.071
  103   HD11  ILE  12          HD11      ILE  12  17.224   0.749   6.678
  104   HD12  ILE  12          HD12      ILE  12  16.905   0.716   8.412
  105   HD13  ILE  12          HD13      ILE  12  16.056   1.867   7.381
  106    H    GLY  13           H        GLY  13  20.680  -0.421   6.304
  107    HA2  GLY  13           HA2      GLY  13  23.161  -0.837   7.602
  108    HA3  GLY  13           HA3      GLY  13  22.388  -1.947   6.480
  109    H    TYR  14           H        TYR  14  22.333   0.102   4.344
  110    HA   TYR  14           HA       TYR  14  24.657  -0.592   2.992
  111    HB2  TYR  14           HB2      TYR  14  22.482   0.428   2.076
  112    HB3  TYR  14           HB3      TYR  14  23.190   1.988   2.479
  113    HD1  TYR  14           HD2      TYR  14  25.237   2.755   1.316
  114    HD2  TYR  14           HD1      TYR  14  23.229  -0.820   0.179
  115    HE1  TYR  14           HE2      TYR  14  26.442   2.767  -0.829
  116    HE2  TYR  14           HE1      TYR  14  24.428  -0.818  -1.969
  117    HH   TYR  14           HH       TYR  14  27.016   0.515  -2.628
  118    H    ALA  15           H        ALA  15  23.909   2.477   4.640
  119    HA   ALA  15           HA       ALA  15  26.494   3.588   4.228
  120    HB1  ALA  15           HB1      ALA  15  24.188   4.316   6.005
  121    HB2  ALA  15           HB2      ALA  15  25.718   5.192   6.064
  122    HB3  ALA  15           HB3      ALA  15  24.785   5.148   4.568
  123    H    PHE  16           H        PHE  16  24.938   2.015   7.007
  124    HA   PHE  16           HA       PHE  16  26.932   2.322   8.893
  125    HB2  PHE  16           HB2      PHE  16  24.678   0.498   8.483
  126    HB3  PHE  16           HB3      PHE  16  25.991  -0.215   9.414
  127    HD1  PHE  16           HD1      PHE  16  27.001   1.645  11.174
  128    HD2  PHE  16           HD2      PHE  16  22.997   1.373   9.755
  129    HE1  PHE  16           HE1      PHE  16  26.211   2.819  13.187
  130    HE2  PHE  16           HE2      PHE  16  22.201   2.547  11.765
  131    HZ   PHE  16           HZ       PHE  16  23.809   3.273  13.484
  132    H    GLY  17           H        GLY  17  26.560  -0.311   6.525
  133    HA2  GLY  17           HA2      GLY  17  28.751  -1.852   7.248
  134    HA3  GLY  17           HA3      GLY  17  28.105  -1.746   5.617
  135    H    ALA  18           H        ALA  18  28.647   1.081   5.311
  136    HA   ALA  18           HA       ALA  18  31.364   0.881   4.427
  137    HB1  ALA  18           HB1      ALA  18  30.784   2.530   3.053
  138    HB2  ALA  18           HB2      ALA  18  29.158   2.418   3.728
  139    HB3  ALA  18           HB3      ALA  18  30.312   3.572   4.395
  140    H    VAL  19           H        VAL  19  29.679   2.683   6.971
  141    HA   VAL  19           HA       VAL  19  31.751   4.278   7.880
  142    HB   VAL  19           HB       VAL  19  29.568   2.951   9.491
  143   HG11  VAL  19          HG11      VAL  19  30.171   5.203  10.855
  144   HG12  VAL  19          HG12      VAL  19  30.835   3.613  11.235
  145   HG13  VAL  19          HG13      VAL  19  31.768   4.750  10.261
  146   HG21  VAL  19          HG21      VAL  19  29.281   4.768   7.509
  147   HG22  VAL  19          HG22      VAL  19  28.192   4.632   8.889
  148   HG23  VAL  19          HG23      VAL  19  29.484   5.832   8.900
  149    H    GLU  20           H        GLU  20  31.175   0.866   8.396
  150    HA   GLU  20           HA       GLU  20  33.110   0.579  10.489
  151    HB2  GLU  20           HB2      GLU  20  32.201  -1.695   8.761
  152    HB3  GLU  20           HB3      GLU  20  32.592  -1.693  10.475
  153    HG2  GLU  20           HG2      GLU  20  30.482  -0.011  10.451
  154    HG3  GLU  20           HG3      GLU  20  30.068  -1.076   9.109
  155    H    ARG  21           H        ARG  21  33.060  -0.128   7.012
  156    HA   ARG  21           HA       ARG  21  35.603  -1.261   6.806
  157    HB2  ARG  21           HB2      ARG  21  33.629  -0.104   4.971
  158    HB3  ARG  21           HB3      ARG  21  35.289   0.044   4.410
  159    HG2  ARG  21           HG2      ARG  21  34.495  -1.965   3.504
  160    HG3  ARG  21           HG3      ARG  21  35.512  -2.440   4.866
  161    HD2  ARG  21           HD2      ARG  21  33.424  -2.560   6.254
  162    HD3  ARG  21           HD3      ARG  21  32.504  -2.326   4.768
  163    HE   ARG  21           HE       ARG  21  34.238  -4.462   4.352
  164   HH11  ARG  21          HH11      ARG  21  31.510  -3.664   6.362
  165   HH12  ARG  21          HH12      ARG  21  30.960  -5.302   6.492
  166   HH21  ARG  21          HH21      ARG  21  33.524  -6.622   4.515
  167   HH22  ARG  21          HH22      ARG  21  32.108  -6.984   5.442
  168    H    ALA  22           H        ALA  22  34.595   2.064   7.057
  169    HA   ALA  22           HA       ALA  22  36.867   3.362   6.086
  170    HB1  ALA  22           HB1      ALA  22  35.861   5.240   6.789
  171    HB2  ALA  22           HB2      ALA  22  34.499   4.176   7.138
  172    HB3  ALA  22           HB3      ALA  22  35.621   4.621   8.423
  173    H    VAL  23           H        VAL  23  36.103   2.345   9.412
  174    HA   VAL  23           HA       VAL  23  38.718   3.100  10.368
  175    HB   VAL  23           HB       VAL  23  36.801   1.370  11.898
  176   HG11  VAL  23          HG11      VAL  23  38.881   3.420  12.620
  177   HG12  VAL  23          HG12      VAL  23  37.721   2.774  13.782
  178   HG13  VAL  23          HG13      VAL  23  38.875   1.697  12.995
  179   HG21  VAL  23          HG21      VAL  23  35.333   3.046  11.162
  180   HG22  VAL  23          HG22      VAL  23  35.857   3.581  12.758
  181   HG23  VAL  23          HG23      VAL  23  36.558   4.306  11.311
  182    H    LEU  24           H        LEU  24  37.156   0.223   9.202
  183    HA   LEU  24           HA       LEU  24  38.748  -1.767  10.300
  184    HB2  LEU  24           HB2      LEU  24  36.705  -1.693   8.514
  185    HB3  LEU  24           HB3      LEU  24  38.053  -2.134   7.469
  186    HG   LEU  24           HG       LEU  24  38.404  -3.907   9.471
  187   HD11  LEU  24          HD11      LEU  24  35.919  -4.780   9.686
  188   HD12  LEU  24          HD12      LEU  24  35.559  -3.061   9.529
  189   HD13  LEU  24          HD13      LEU  24  36.601  -3.627  10.834
  190   HD21  LEU  24          HD21      LEU  24  37.239  -3.909   6.809
  191   HD22  LEU  24          HD22      LEU  24  36.615  -5.211   7.822
  192   HD23  LEU  24          HD23      LEU  24  38.352  -5.053   7.559
  193    H    GLY  25           H        GLY  25  39.297   0.215   7.414
  194    HA2  GLY  25           HA2      GLY  25  42.097   0.165   7.661
  195    HA3  GLY  25           HA3      GLY  25  41.620  -1.072   6.507
  196    H    GLY  26           H        GLY  26  40.344   2.195   7.126
  197    HA2  GLY  26           HA2      GLY  26  40.773   2.764   4.261
  198    HA3  GLY  26           HA3      GLY  26  39.495   3.473   5.238
  199    H    SER  27           H        SER  27  39.975   5.170   6.654
  200    HA   SER  27           HA       SER  27  42.031   6.909   5.781
  201    HB2  SER  27           HB2      SER  27  40.249   8.094   6.645
  202    HB3  SER  27           HB3      SER  27  39.991   6.951   7.964
  203    HG   SER  27           HG       SER  27  42.203   8.721   7.774
  204    H    ARG  28           H        ARG  28  41.911   4.421   8.155
  205    HA   ARG  28           HA       ARG  28  43.437   3.591   9.624
  206    HB2  ARG  28           HB2      ARG  28  45.107   4.940   7.559
  207    HB3  ARG  28           HB3      ARG  28  45.899   4.431   9.045
  208    HG2  ARG  28           HG2      ARG  28  45.492   2.182   8.643
  209    HG3  ARG  28           HG3      ARG  28  44.197   2.523   7.494
  210    HD2  ARG  28           HD2      ARG  28  45.667   2.341   5.841
  211    HD3  ARG  28           HD3      ARG  28  46.512   3.752   6.476
  212    HE   ARG  28           HE       ARG  28  48.179   2.360   7.158
  213   HH11  ARG  28          HH11      ARG  28  45.261   0.493   6.803
  214   HH12  ARG  28          HH12      ARG  28  46.033  -1.020   7.146
  215   HH21  ARG  28          HH21      ARG  28  49.206   0.374   7.610
  216   HH22  ARG  28          HH22      ARG  28  48.277  -1.086   7.605
  217    H    ASP  29           H        ASP  29  42.701   4.630  11.464
  218    HA   ASP  29           HA       ASP  29  44.506   6.243  12.852
  219    HB2  ASP  29           HB2      ASP  29  42.935   7.736  11.036
  220    HB3  ASP  29           HB3      ASP  29  42.307   8.079  12.645
  221    H    TYR  30           H        TYR  30  43.985   6.372  15.001
  222    HA   TYR  30           HA       TYR  30  41.324   6.088  15.986
  223    HB2  TYR  30           HB2      TYR  30  41.899   3.884  17.205
  224    HB3  TYR  30           HB3      TYR  30  41.427   3.798  15.512
  225    HD1  TYR  30           HD1      TYR  30  44.597   4.338  17.431
  226    HD2  TYR  30           HD2      TYR  30  42.634   2.302  14.252
  227    HE1  TYR  30           HE1      TYR  30  46.684   3.142  16.917
  228    HE2  TYR  30           HE2      TYR  30  44.715   1.099  13.730
  229    HH   TYR  30           HH       TYR  30  47.050   0.588  15.544
  230    H    ASN  31           H        ASN  31  43.678   7.782  16.312
  231    HA   ASN  31           HA       ASN  31  45.105   7.357  18.644
  232    HB2  ASN  31           HB2      ASN  31  44.206   9.843  17.222
  233    HB3  ASN  31           HB3      ASN  31  45.054   9.965  18.760
  234   HD21  ASN  31          HD21      ASN  31  47.113   8.672  18.869
  235   HD22  ASN  31          HD22      ASN  31  48.129   8.711  17.472
  236    H    LYS  32           H        LYS  32  42.001   9.053  18.258
  237    HA   LYS  32           HA       LYS  32  41.015   8.133  20.756
  238    HB2  LYS  32           HB2      LYS  32  40.966  10.187  22.003
  239    HB3  LYS  32           HB3      LYS  32  42.631   9.870  21.532
  240    HG2  LYS  32           HG2      LYS  32  42.631  12.005  20.879
  241    HG3  LYS  32           HG3      LYS  32  41.768  11.406  19.461
  242    HD2  LYS  32           HD2      LYS  32  40.117  12.801  20.006
  243    HD3  LYS  32           HD3      LYS  32  39.792  11.749  21.386
  244    HE2  LYS  32           HE2      LYS  32  41.560  14.190  21.323
  245    HE3  LYS  32           HE3      LYS  32  40.027  14.006  22.174
  246    HZ1  LYS  32           HZ1      LYS  32  41.677  13.721  23.787
  247    HZ2  LYS  32           HZ2      LYS  32  42.624  12.733  22.793
  248    HZ3  LYS  32           HZ3      LYS  32  41.169  12.148  23.428
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1  14.377  -2.628  -7.250
    2    HA   ARG   1           HA       ARG   1  14.608   0.230  -6.987
    3    HB2  ARG   1           HB2      ARG   1  12.259   0.292  -7.548
    4    HB3  ARG   1           HB3      ARG   1  13.074  -0.840  -8.619
    5    HG2  ARG   1           HG2      ARG   1  12.287  -2.689  -7.142
    6    HG3  ARG   1           HG3      ARG   1  11.338  -1.497  -6.253
    7    HD2  ARG   1           HD2      ARG   1   9.776  -1.368  -7.860
    8    HD3  ARG   1           HD3      ARG   1  10.971  -1.401  -9.155
    9    HE   ARG   1           HE       ARG   1  10.757  -3.954  -7.969
   10   HH11  ARG   1          HH11      ARG   1   9.031  -1.766 -10.055
   11   HH12  ARG   1          HH12      ARG   1   8.192  -3.025 -10.899
   12   HH21  ARG   1          HH21      ARG   1   9.659  -5.621  -9.073
   13   HH22  ARG   1          HH22      ARG   1   8.549  -5.217 -10.339
   14    H    ARG   2           H        ARG   2  12.511   1.166  -5.697
   15    HA   ARG   2           HA       ARG   2  12.247  -0.117  -3.102
   16    HB2  ARG   2           HB2      ARG   2  12.899   1.978  -1.909
   17    HB3  ARG   2           HB3      ARG   2  14.233   1.180  -2.731
   18    HG2  ARG   2           HG2      ARG   2  12.886   3.182  -4.371
   19    HG3  ARG   2           HG3      ARG   2  13.615   3.835  -2.902
   20    HD2  ARG   2           HD2      ARG   2  15.027   2.120  -4.943
   21    HD3  ARG   2           HD3      ARG   2  15.160   3.873  -4.818
   22    HE   ARG   2           HE       ARG   2  15.821   2.757  -2.339
   23   HH11  ARG   2          HH11      ARG   2  17.046   2.908  -5.595
   24   HH12  ARG   2          HH12      ARG   2  18.704   2.750  -5.117
   25   HH21  ARG   2          HH21      ARG   2  18.000   2.549  -1.698
   26   HH22  ARG   2          HH22      ARG   2  19.245   2.545  -2.901
   27    H    SER   3           H        SER   3  10.867   1.456  -1.638
   28    HA   SER   3           HA       SER   3   9.036   3.176  -3.001
   29    HB2  SER   3           HB2      SER   3   8.429   0.386  -2.973
   30    HB3  SER   3           HB3      SER   3   7.288   1.209  -1.910
   31    HG   SER   3           HG       SER   3   6.721   2.554  -3.615
   32    H    ARG   4           H        ARG   4  10.792   3.029  -0.614
   33    HA   ARG   4           HA       ARG   4  10.815   3.654   1.577
   34    HB2  ARG   4           HB2      ARG   4   9.232   5.426   0.211
   35    HB3  ARG   4           HB3      ARG   4   8.168   4.925   1.519
   36    HG2  ARG   4           HG2      ARG   4  10.808   5.490   2.517
   37    HG3  ARG   4           HG3      ARG   4  10.167   6.861   1.609
   38    HD2  ARG   4           HD2      ARG   4   8.051   6.602   2.969
   39    HD3  ARG   4           HD3      ARG   4   8.948   5.476   3.986
   40    HE   ARG   4           HE       ARG   4   9.139   8.325   3.995
   41   HH11  ARG   4          HH11      ARG   4  10.915   5.384   4.555
   42   HH12  ARG   4          HH12      ARG   4  12.036   6.116   5.656
   43   HH21  ARG   4          HH21      ARG   4  10.607   9.301   5.442
   44   HH22  ARG   4          HH22      ARG   4  11.859   8.344   6.160
   45    H    LYS   5           H        LYS   5   9.580   1.098   0.919
   46    HA   LYS   5           HA       LYS   5   8.350   0.588   3.469
   47    HB2  LYS   5           HB2      LYS   5   6.586   1.333   1.556
   48    HB3  LYS   5           HB3      LYS   5   6.649  -0.400   1.260
   49    HG2  LYS   5           HG2      LYS   5   6.228   0.634   4.031
   50    HG3  LYS   5           HG3      LYS   5   4.884   0.559   2.890
   51    HD2  LYS   5           HD2      LYS   5   4.903  -1.740   2.811
   52    HD3  LYS   5           HD3      LYS   5   6.611  -1.846   3.243
   53    HE2  LYS   5           HE2      LYS   5   5.107  -0.622   5.368
   54    HE3  LYS   5           HE3      LYS   5   4.394  -2.173   4.926
   55    HZ1  LYS   5           HZ1      LYS   5   7.298  -2.054   5.243
   56    HZ2  LYS   5           HZ2      LYS   5   6.224  -3.312   5.595
   57    HZ3  LYS   5           HZ3      LYS   5   6.357  -1.994   6.648
   58    H    ASN   6           H        ASN   6   9.078  -0.646   0.230
   59    HA   ASN   6           HA       ASN   6   9.100  -3.379   0.884
   60    HB2  ASN   6           HB2      ASN   6   9.027  -2.851  -1.415
   61    HB3  ASN   6           HB3      ASN   6  10.421  -1.781  -1.300
   62   HD21  ASN   6          HD21      ASN   6   9.324  -4.956  -1.844
   63   HD22  ASN   6          HD22      ASN   6  10.868  -5.703  -2.054
   64    H    GLY   7           H        GLY   7  11.463  -0.855   1.319
   65    HA2  GLY   7           HA2      GLY   7  13.471  -2.835   2.156
   66    HA3  GLY   7           HA3      GLY   7  13.798  -1.153   1.764
   67    H    ILE   8           H        ILE   8  12.206  -3.243   4.140
   68    HA   ILE   8           HA       ILE   8  11.727  -1.289   6.089
   69    HB   ILE   8           HB       ILE   8  12.312  -4.221   6.518
   70   HG12  ILE   8          HG12      ILE   8   9.548  -3.516   6.772
   71   HG13  ILE   8          HG13      ILE   8  10.141  -2.931   5.221
   72   HG21  ILE   8          HG21      ILE   8  12.521  -2.960   8.575
   73   HG22  ILE   8          HG22      ILE   8  10.957  -2.196   8.292
   74   HG23  ILE   8          HG23      ILE   8  11.047  -3.928   8.610
   75   HD11  ILE   8          HD11      ILE   8   9.455  -5.028   4.652
   76   HD12  ILE   8          HD12      ILE   8  11.141  -5.349   5.059
   77   HD13  ILE   8          HD13      ILE   8   9.868  -5.711   6.224
   78    H    GLY   9           H        GLY   9  14.596  -3.170   5.337
   79    HA2  GLY   9           HA2      GLY   9  16.098  -1.483   7.223
   80    HA3  GLY   9           HA3      GLY   9  16.302  -3.228   7.275
   81    H    TYR  10           H        TYR  10  15.759  -1.780   4.199
   82    HA   TYR  10           HA       TYR  10  18.321  -2.670   3.263
   83    HB2  TYR  10           HB2      TYR  10  15.926  -1.384   2.007
   84    HB3  TYR  10           HB3      TYR  10  17.449  -1.415   1.126
   85    HD1  TYR  10           HD2      TYR  10  15.526  -3.860   3.211
   86    HD2  TYR  10           HD1      TYR  10  17.544  -3.083  -0.453
   87    HE1  TYR  10           HE2      TYR  10  15.042  -6.153   2.465
   88    HE2  TYR  10           HE1      TYR  10  17.064  -5.373  -1.210
   89    HH   TYR  10           HH       TYR  10  15.724  -7.770   0.922
   90    H    ALA  11           H        ALA  11  16.742   0.531   3.181
   91    HA   ALA  11           HA       ALA  11  19.051   1.971   2.505
   92    HB1  ALA  11           HB1      ALA  11  16.976   3.309   4.148
   93    HB2  ALA  11           HB2      ALA  11  17.756   3.835   2.656
   94    HB3  ALA  11           HB3      ALA  11  16.478   2.621   2.602
   95    H    ILE  12           H        ILE  12  17.555   1.365   5.672
   96    HA   ILE  12           HA       ILE  12  19.364   2.859   7.207
   97    HB   ILE  12           HB       ILE  12  17.968   0.351   8.133
   98   HG12  ILE  12          HG12      ILE  12  16.474   2.607   8.891
   99   HG13  ILE  12          HG13      ILE  12  16.848   2.842   7.187
  100   HG21  ILE  12          HG21      ILE  12  18.893   2.826   9.585
  101   HG22  ILE  12          HG22      ILE  12  17.979   1.505  10.310
  102   HG23  ILE  12          HG23      ILE  12  19.605   1.216   9.692
  103   HD11  ILE  12          HD11      ILE  12  14.756   1.722   7.350
  104   HD12  ILE  12          HD12      ILE  12  15.945   0.565   6.753
  105   HD13  ILE  12          HD13      ILE  12  15.428   0.508   8.437
  106    H    GLY  13           H        GLY  13  19.347  -0.612   6.409
  107    HA2  GLY  13           HA2      GLY  13  21.732  -1.231   7.799
  108    HA3  GLY  13           HA3      GLY  13  21.001  -2.201   6.529
  109    H    TYR  14           H        TYR  14  21.125  -0.038   4.560
  110    HA   TYR  14           HA       TYR  14  23.542  -0.645   3.337
  111    HB2  TYR  14           HB2      TYR  14  21.442   0.431   2.329
  112    HB3  TYR  14           HB3      TYR  14  22.099   1.963   2.894
  113    HD1  TYR  14           HD2      TYR  14  24.232   2.813   1.955
  114    HD2  TYR  14           HD1      TYR  14  22.334  -0.665   0.404
  115    HE1  TYR  14           HE2      TYR  14  25.596   2.984  -0.084
  116    HE2  TYR  14           HE1      TYR  14  23.694  -0.504  -1.638
  117    HH   TYR  14           HH       TYR  14  25.458   0.510  -2.601
  118    H    ALA  15           H        ALA  15  22.671   2.311   5.125
  119    HA   ALA  15           HA       ALA  15  25.262   3.457   4.967
  120    HB1  ALA  15           HB1      ALA  15  22.846   4.026   6.650
  121    HB2  ALA  15           HB2      ALA  15  24.361   4.897   6.887
  122    HB3  ALA  15           HB3      ALA  15  23.530   4.980   5.334
  123    H    PHE  16           H        PHE  16  23.573   1.646   7.511
  124    HA   PHE  16           HA       PHE  16  25.447   1.816   9.532
  125    HB2  PHE  16           HB2      PHE  16  23.237   0.031   8.848
  126    HB3  PHE  16           HB3      PHE  16  24.510  -0.777   9.757
  127    HD1  PHE  16           HD1      PHE  16  25.452   1.014  11.689
  128    HD2  PHE  16           HD2      PHE  16  21.488   0.649  10.181
  129    HE1  PHE  16           HE1      PHE  16  24.573   1.977  13.776
  130    HE2  PHE  16           HE2      PHE  16  20.603   1.612  12.265
  131    HZ   PHE  16           HZ       PHE  16  22.146   2.278  14.066
  132    H    GLY  17           H        GLY  17  25.313  -0.488   6.838
  133    HA2  GLY  17           HA2      GLY  17  27.453  -2.118   7.581
  134    HA3  GLY  17           HA3      GLY  17  26.922  -1.847   5.928
  135    H    ALA  18           H        ALA  18  27.442   1.007   5.976
  136    HA   ALA  18           HA       ALA  18  30.213   0.922   5.258
  137    HB1  ALA  18           HB1      ALA  18  29.350   2.462   3.888
  138    HB2  ALA  18           HB2      ALA  18  27.987   2.784   4.961
  139    HB3  ALA  18           HB3      ALA  18  29.537   3.578   5.241
  140    H    VAL  19           H        VAL  19  28.343   2.414   7.872
  141    HA   VAL  19           HA       VAL  19  30.328   3.909   9.089
  142    HB   VAL  19           HB       VAL  19  28.065   2.393  10.394
  143   HG11  VAL  19          HG11      VAL  19  29.971   4.444  11.484
  144   HG12  VAL  19          HG12      VAL  19  28.386   4.151  12.204
  145   HG13  VAL  19          HG13      VAL  19  29.578   2.853  12.135
  146   HG21  VAL  19          HG21      VAL  19  26.778   4.332  10.178
  147   HG22  VAL  19          HG22      VAL  19  28.184   5.339   9.833
  148   HG23  VAL  19          HG23      VAL  19  27.602   4.193   8.625
  149    H    GLU  20           H        GLU  20  29.844   0.464   9.079
  150    HA   GLU  20           HA       GLU  20  31.569  -0.085  11.299
  151    HB2  GLU  20           HB2      GLU  20  30.945  -2.091   9.161
  152    HB3  GLU  20           HB3      GLU  20  31.161  -2.342  10.887
  153    HG2  GLU  20           HG2      GLU  20  28.989  -0.744  10.896
  154    HG3  GLU  20           HG3      GLU  20  28.762  -1.593   9.369
  155    H    ARG  21           H        ARG  21  31.901  -0.272   7.769
  156    HA   ARG  21           HA       ARG  21  34.516  -1.261   7.690
  157    HB2  ARG  21           HB2      ARG  21  32.667   0.042   5.818
  158    HB3  ARG  21           HB3      ARG  21  34.365   0.326   5.457
  159    HG2  ARG  21           HG2      ARG  21  34.217  -1.597   4.328
  160    HG3  ARG  21           HG3      ARG  21  34.369  -2.347   5.918
  161    HD2  ARG  21           HD2      ARG  21  32.501  -3.402   5.061
  162    HD3  ARG  21           HD3      ARG  21  31.788  -2.092   6.001
  163    HE   ARG  21           HE       ARG  21  31.028  -1.145   4.053
  164   HH11  ARG  21          HH11      ARG  21  33.361  -3.619   3.308
  165   HH12  ARG  21          HH12      ARG  21  33.045  -3.587   1.605
  166   HH21  ARG  21          HH21      ARG  21  30.603  -1.092   1.813
  167   HH22  ARG  21          HH22      ARG  21  31.477  -2.148   0.755
  168    H    ALA  22           H        ALA  22  33.290   1.946   8.268
  169    HA   ALA  22           HA       ALA  22  35.584   3.454   7.716
  170    HB1  ALA  22           HB1      ALA  22  34.281   4.638   9.920
  171    HB2  ALA  22           HB2      ALA  22  34.144   5.065   8.214
  172    HB3  ALA  22           HB3      ALA  22  33.034   3.891   8.921
  173    H    VAL  23           H        VAL  23  34.501   1.967  10.762
  174    HA   VAL  23           HA       VAL  23  36.911   2.740  12.142
  175    HB   VAL  23           HB       VAL  23  34.969   0.693  13.164
  176   HG11  VAL  23          HG11      VAL  23  36.639   2.821  14.499
  177   HG12  VAL  23          HG12      VAL  23  35.558   1.700  15.328
  178   HG13  VAL  23          HG13      VAL  23  36.975   1.090  14.473
  179   HG21  VAL  23          HG21      VAL  23  33.747   2.688  14.176
  180   HG22  VAL  23          HG22      VAL  23  34.564   3.664  12.955
  181   HG23  VAL  23          HG23      VAL  23  33.475   2.367  12.463
  182    H    LEU  24           H        LEU  24  35.726  -0.050  10.434
  183    HA   LEU  24           HA       LEU  24  37.412  -2.025  11.470
  184    HB2  LEU  24           HB2      LEU  24  35.456  -1.937   9.580
  185    HB3  LEU  24           HB3      LEU  24  36.891  -2.178   8.585
  186    HG   LEU  24           HG       LEU  24  36.909  -4.013  10.796
  187   HD11  LEU  24          HD11      LEU  24  34.934  -5.185  10.567
  188   HD12  LEU  24          HD12      LEU  24  34.568  -4.473   8.996
  189   HD13  LEU  24          HD13      LEU  24  34.384  -3.513  10.464
  190   HD21  LEU  24          HD21      LEU  24  37.643  -5.437   9.204
  191   HD22  LEU  24          HD22      LEU  24  37.857  -3.948   8.283
  192   HD23  LEU  24          HD23      LEU  24  36.418  -4.939   8.037
  193    H    GLY  25           H        GLY  25  38.010   0.540   9.184
  194    HA2  GLY  25           HA2      GLY  25  40.314  -0.408   7.928
  195    HA3  GLY  25           HA3      GLY  25  39.945   1.288   8.205
  196    H    GLY  26           H        GLY  26  40.219   1.846  10.699
  197    HA2  GLY  26           HA2      GLY  26  41.561   1.595  12.649
  198    HA3  GLY  26           HA3      GLY  26  42.637   0.547  11.738
  199    H    SER  27           H        SER  27  41.403   3.771  10.921
  200    HA   SER  27           HA       SER  27  43.732   5.195  11.602
  201    HB2  SER  27           HB2      SER  27  44.140   5.563   8.923
  202    HB3  SER  27           HB3      SER  27  45.093   4.482   9.939
  203    HG   SER  27           HG       SER  27  43.894   3.731   7.860
  204    H    ARG  28           H        ARG  28  42.080   6.581  12.336
  205    HA   ARG  28           HA       ARG  28  40.288   7.783  10.396
  206    HB2  ARG  28           HB2      ARG  28  39.218   8.830  12.238
  207    HB3  ARG  28           HB3      ARG  28  39.614   7.199  12.762
  208    HG2  ARG  28           HG2      ARG  28  41.741   8.270  13.748
  209    HG3  ARG  28           HG3      ARG  28  40.866   9.792  13.567
  210    HD2  ARG  28           HD2      ARG  28  39.485   7.508  14.882
  211    HD3  ARG  28           HD3      ARG  28  40.730   8.367  15.788
  212    HE   ARG  28           HE       ARG  28  38.103   9.289  15.207
  213   HH11  ARG  28          HH11      ARG  28  41.391  10.346  15.638
  214   HH12  ARG  28          HH12      ARG  28  40.949  11.943  16.144
  215   HH21  ARG  28          HH21      ARG  28  37.507  11.387  15.873
  216   HH22  ARG  28          HH22      ARG  28  38.739  12.534  16.279
  217    H    ASP  29           H        ASP  29  43.414   8.198  10.912
  218    HA   ASP  29           HA       ASP  29  43.603  10.692   9.676
  219    HB2  ASP  29           HB2      ASP  29  43.184  10.838  12.529
  220    HB3  ASP  29           HB3      ASP  29  44.761  11.500  12.107
  221    H    TYR  30           H        TYR  30  45.254   8.849  12.243
  222    HA   TYR  30           HA       TYR  30  47.386   8.071  10.542
  223    HB2  TYR  30           HB2      TYR  30  47.679  10.652  11.395
  224    HB3  TYR  30           HB3      TYR  30  48.550   9.769  12.644
  225    HD1  TYR  30           HD2      TYR  30  48.235   9.433   8.928
  226    HD2  TYR  30           HD1      TYR  30  50.822   9.794  12.286
  227    HE1  TYR  30           HE2      TYR  30  50.183   9.260   7.438
  228    HE2  TYR  30           HE1      TYR  30  52.778   9.624  10.805
  229    HH   TYR  30           HH       TYR  30  52.412   9.003   7.343
  230    H    ASN  31           H        ASN  31  45.611   6.784  12.312
  231    HA   ASN  31           HA       ASN  31  47.336   5.067  13.680
  232    HB2  ASN  31           HB2      ASN  31  46.868   7.449  15.116
  233    HB3  ASN  31           HB3      ASN  31  45.906   6.203  15.906
  234   HD21  ASN  31          HD21      ASN  31  49.079   7.338  15.170
  235   HD22  ASN  31          HD22      ASN  31  49.941   6.225  16.172
  236    H    LYS  32           H        LYS  32  44.185   6.477  14.579
  237    HA   LYS  32           HA       LYS  32  42.668   4.332  13.512
  238    HB2  LYS  32           HB2      LYS  32  41.997   3.184  15.494
  239    HB3  LYS  32           HB3      LYS  32  43.755   3.215  15.486
  240    HG2  LYS  32           HG2      LYS  32  43.152   5.482  16.884
  241    HG3  LYS  32           HG3      LYS  32  41.862   4.382  17.376
  242    HD2  LYS  32           HD2      LYS  32  44.701   3.441  17.345
  243    HD3  LYS  32           HD3      LYS  32  44.110   4.416  18.693
  244    HE2  LYS  32           HE2      LYS  32  43.167   2.618  19.590
  245    HE3  LYS  32           HE3      LYS  32  42.186   2.398  18.142
  246    HZ1  LYS  32           HZ1      LYS  32  44.542   1.421  17.341
  247    HZ2  LYS  32           HZ2      LYS  32  43.304   0.477  18.002
  248    HZ3  LYS  32           HZ3      LYS  32  44.578   1.004  18.980
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1  10.520   7.287   1.779
    2    HA   ARG   1           HA       ARG   1   7.879   6.962   3.025
    3    HB2  ARG   1           HB2      ARG   1   8.494   7.829   0.283
    4    HB3  ARG   1           HB3      ARG   1   7.333   6.512   0.383
    5    HG2  ARG   1           HG2      ARG   1   6.413   8.239   2.292
    6    HG3  ARG   1           HG3      ARG   1   7.035   9.333   1.055
    7    HD2  ARG   1           HD2      ARG   1   5.027   9.038   0.096
    8    HD3  ARG   1           HD3      ARG   1   5.708   7.510  -0.461
    9    HE   ARG   1           HE       ARG   1   4.653   6.985   2.022
   10   HH11  ARG   1          HH11      ARG   1   3.456   8.182  -1.020
   11   HH12  ARG   1          HH12      ARG   1   1.864   7.539  -0.796
   12   HH21  ARG   1          HH21      ARG   1   2.559   6.133   2.329
   13   HH22  ARG   1          HH22      ARG   1   1.354   6.374   1.110
   14    H    ARG   2           H        ARG   2   8.224   4.988   3.910
   15    HA   ARG   2           HA       ARG   2   9.677   2.905   2.637
   16    HB2  ARG   2           HB2      ARG   2   7.862   3.030   5.030
   17    HB3  ARG   2           HB3      ARG   2   8.478   1.490   4.445
   18    HG2  ARG   2           HG2      ARG   2  10.516   1.850   5.285
   19    HG3  ARG   2           HG3      ARG   2  10.534   3.539   4.774
   20    HD2  ARG   2           HD2      ARG   2  10.585   3.606   7.123
   21    HD3  ARG   2           HD3      ARG   2   8.917   3.974   6.686
   22    HE   ARG   2           HE       ARG   2   9.152   1.212   7.107
   23   HH11  ARG   2          HH11      ARG   2   9.262   4.204   8.884
   24   HH12  ARG   2          HH12      ARG   2   8.700   3.498  10.362
   25   HH21  ARG   2          HH21      ARG   2   8.411   0.270   9.048
   26   HH22  ARG   2          HH22      ARG   2   8.217   1.260  10.455
   27    H    SER   3           H        SER   3   9.004   1.184   1.445
   28    HA   SER   3           HA       SER   3   6.252   0.472   1.146
   29    HB2  SER   3           HB2      SER   3   7.268   2.507  -0.583
   30    HB3  SER   3           HB3      SER   3   6.999   1.051  -1.541
   31    HG   SER   3           HG       SER   3   4.876   1.057  -0.300
   32    H    ARG   4           H        ARG   4   8.931  -0.674   1.710
   33    HA   ARG   4           HA       ARG   4  10.053  -2.615   1.330
   34    HB2  ARG   4           HB2      ARG   4   7.449  -3.233   0.890
   35    HB3  ARG   4           HB3      ARG   4   8.142  -3.643  -0.673
   36    HG2  ARG   4           HG2      ARG   4   9.673  -4.653   1.602
   37    HG3  ARG   4           HG3      ARG   4   8.034  -5.296   1.488
   38    HD2  ARG   4           HD2      ARG   4   8.478  -5.900  -0.869
   39    HD3  ARG   4           HD3      ARG   4  10.139  -5.342  -0.670
   40    HE   ARG   4           HE       ARG   4   9.050  -7.834   0.199
   41   HH11  ARG   4          HH11      ARG   4  11.445  -5.410   0.911
   42   HH12  ARG   4          HH12      ARG   4  12.497  -6.507   1.743
   43   HH21  ARG   4          HH21      ARG   4  10.426  -9.288   1.292
   44   HH22  ARG   4          HH22      ARG   4  11.917  -8.713   1.958
   45    H    LYS   5           H        LYS   5  10.640  -0.332  -0.275
   46    HA   LYS   5           HA       LYS   5  11.968  -1.681  -2.487
   47    HB2  LYS   5           HB2      LYS   5  11.277   0.288  -3.996
   48    HB3  LYS   5           HB3      LYS   5  10.099  -0.985  -3.709
   49    HG2  LYS   5           HG2      LYS   5   8.951   0.376  -2.089
   50    HG3  LYS   5           HG3      LYS   5  10.188   1.629  -2.218
   51    HD2  LYS   5           HD2      LYS   5   8.338   2.342  -3.530
   52    HD3  LYS   5           HD3      LYS   5   9.592   1.816  -4.656
   53    HE2  LYS   5           HE2      LYS   5   8.382  -0.459  -4.591
   54    HE3  LYS   5           HE3      LYS   5   7.034   0.444  -3.901
   55    HZ1  LYS   5           HZ1      LYS   5   8.204   0.628  -6.594
   56    HZ2  LYS   5           HZ2      LYS   5   7.412   1.970  -5.937
   57    HZ3  LYS   5           HZ3      LYS   5   6.578   0.512  -6.139
   58    H    ASN   6           H        ASN   6  11.439   1.339  -0.716
   59    HA   ASN   6           HA       ASN   6  13.710   2.719  -1.576
   60    HB2  ASN   6           HB2      ASN   6  11.635   3.194   0.210
   61    HB3  ASN   6           HB3      ASN   6  13.075   3.218   1.223
   62   HD21  ASN   6          HD21      ASN   6  14.739   4.715   0.733
   63   HD22  ASN   6          HD22      ASN   6  14.391   6.164  -0.142
   64    H    GLY   7           H        GLY   7  13.344   0.136   0.723
   65    HA2  GLY   7           HA2      GLY   7  15.070  -1.256   1.478
   66    HA3  GLY   7           HA3      GLY   7  16.240  -0.061   0.937
   67    H    ILE   8           H        ILE   8  14.898  -1.480   3.601
   68    HA   ILE   8           HA       ILE   8  14.760   0.728   5.391
   69    HB   ILE   8           HB       ILE   8  15.183  -2.184   6.068
   70   HG12  ILE   8          HG12      ILE   8  13.178  -1.838   4.675
   71   HG13  ILE   8          HG13      ILE   8  12.755  -2.311   6.317
   72   HG21  ILE   8          HG21      ILE   8  15.680  -0.815   7.954
   73   HG22  ILE   8          HG22      ILE   8  14.243   0.171   7.689
   74   HG23  ILE   8          HG23      ILE   8  14.077  -1.506   8.209
   75   HD11  ILE   8          HD11      ILE   8  12.263   0.023   6.851
   76   HD12  ILE   8          HD12      ILE   8  12.663   0.479   5.195
   77   HD13  ILE   8          HD13      ILE   8  11.282  -0.571   5.512
   78    H    GLY   9           H        GLY   9  17.300  -1.497   4.421
   79    HA2  GLY   9           HA2      GLY   9  19.234   0.215   5.814
   80    HA3  GLY   9           HA3      GLY   9  19.257  -1.511   6.144
   81    H    TYR  10           H        TYR  10  18.398  -0.544   2.960
   82    HA   TYR  10           HA       TYR  10  20.609  -1.933   1.830
   83    HB2  TYR  10           HB2      TYR  10  18.391  -0.256   0.681
   84    HB3  TYR  10           HB3      TYR  10  19.687  -0.873  -0.337
   85    HD1  TYR  10           HD1      TYR  10  17.140  -2.028   2.133
   86    HD2  TYR  10           HD2      TYR  10  19.480  -2.979  -1.291
   87    HE1  TYR  10           HE1      TYR  10  15.943  -4.165   1.917
   88    HE2  TYR  10           HE2      TYR  10  18.288  -5.119  -1.518
   89    HH   TYR  10           HH       TYR  10  15.452  -5.844   0.291
   90    H    ALA  11           H        ALA  11  19.648   1.495   1.570
   91    HA   ALA  11           HA       ALA  11  22.165   2.298   0.504
   92    HB1  ALA  11           HB1      ALA  11  19.869   3.882   1.641
   93    HB2  ALA  11           HB2      ALA  11  21.298   4.609   0.904
   94    HB3  ALA  11           HB3      ALA  11  20.235   3.582  -0.059
   95    H    ILE  12           H        ILE  12  20.643   2.653   3.699
   96    HA   ILE  12           HA       ILE  12  22.735   4.053   4.931
   97    HB   ILE  12           HB       ILE  12  20.905   2.102   6.323
   98   HG12  ILE  12          HG12      ILE  12  19.886   4.709   6.573
   99   HG13  ILE  12          HG13      ILE  12  20.263   4.513   4.865
  100   HG21  ILE  12          HG21      ILE  12  22.705   2.934   7.706
  101   HG22  ILE  12          HG22      ILE  12  22.321   4.595   7.254
  102   HG23  ILE  12          HG23      ILE  12  21.179   3.656   8.217
  103   HD11  ILE  12          HD11      ILE  12  18.215   3.190   6.522
  104   HD12  ILE  12          HD12      ILE  12  18.167   3.689   4.831
  105   HD13  ILE  12          HD13      ILE  12  18.999   2.203   5.289
  106    H    GLY  13           H        GLY  13  22.043   0.560   4.859
  107    HA2  GLY  13           HA2      GLY  13  24.269  -0.221   6.406
  108    HA3  GLY  13           HA3      GLY  13  23.373  -1.257   5.305
  109    H    TYR  14           H        TYR  14  23.945   0.559   3.024
  110    HA   TYR  14           HA       TYR  14  26.156  -0.740   1.962
  111    HB2  TYR  14           HB2      TYR  14  24.352   0.647   0.766
  112    HB3  TYR  14           HB3      TYR  14  25.359   2.044   1.132
  113    HD1  TYR  14           HD2      TYR  14  27.613   2.240   0.128
  114    HD2  TYR  14           HD1      TYR  14  24.953  -0.899  -0.956
  115    HE1  TYR  14           HE2      TYR  14  28.962   1.799  -1.881
  116    HE2  TYR  14           HE1      TYR  14  26.294  -1.349  -2.968
  117    HH   TYR  14           HH       TYR  14  29.134   0.628  -3.762
  118    H    ALA  15           H        ALA  15  25.990   2.551   3.316
  119    HA   ALA  15           HA       ALA  15  28.783   3.027   3.091
  120    HB1  ALA  15           HB1      ALA  15  27.449   4.947   3.152
  121    HB2  ALA  15           HB2      ALA  15  26.567   4.397   4.578
  122    HB3  ALA  15           HB3      ALA  15  28.245   4.918   4.726
  123    H    PHE  16           H        PHE  16  26.691   2.121   5.818
  124    HA   PHE  16           HA       PHE  16  28.554   2.131   7.854
  125    HB2  PHE  16           HB2      PHE  16  25.972   0.826   7.365
  126    HB3  PHE  16           HB3      PHE  16  27.006  -0.047   8.491
  127    HD1  PHE  16           HD1      PHE  16  28.301   1.824  10.107
  128    HD2  PHE  16           HD2      PHE  16  24.398   2.093   8.431
  129    HE1  PHE  16           HE1      PHE  16  27.636   3.362  11.909
  130    HE2  PHE  16           HE2      PHE  16  23.727   3.631  10.230
  131    HZ   PHE  16           HZ       PHE  16  25.347   4.268  11.972
  132    H    GLY  17           H        GLY  17  27.643  -0.667   5.833
  133    HA2  GLY  17           HA2      GLY  17  29.478  -2.488   6.854
  134    HA3  GLY  17           HA3      GLY  17  28.832  -2.533   5.221
  135    H    ALA  18           H        ALA  18  29.951   0.061   4.491
  136    HA   ALA  18           HA       ALA  18  32.529  -0.854   3.645
  137    HB1  ALA  18           HB1      ALA  18  32.642   1.109   2.338
  138    HB2  ALA  18           HB2      ALA  18  30.951   0.605   2.310
  139    HB3  ALA  18           HB3      ALA  18  31.456   1.940   3.347
  140    H    VAL  19           H        VAL  19  31.358   1.614   5.902
  141    HA   VAL  19           HA       VAL  19  33.753   2.831   6.566
  142    HB   VAL  19           HB       VAL  19  31.391   2.253   8.358
  143   HG11  VAL  19          HG11      VAL  19  33.766   4.061   8.755
  144   HG12  VAL  19          HG12      VAL  19  32.273   4.188   9.687
  145   HG13  VAL  19          HG13      VAL  19  33.248   2.720   9.775
  146   HG21  VAL  19          HG21      VAL  19  31.654   3.937   6.137
  147   HG22  VAL  19          HG22      VAL  19  30.347   3.921   7.321
  148   HG23  VAL  19          HG23      VAL  19  31.730   4.991   7.548
  149    H    GLU  20           H        GLU  20  32.478  -0.267   7.567
  150    HA   GLU  20           HA       GLU  20  34.370  -0.671   9.680
  151    HB2  GLU  20           HB2      GLU  20  32.943  -2.913   8.294
  152    HB3  GLU  20           HB3      GLU  20  33.378  -2.757   9.990
  153    HG2  GLU  20           HG2      GLU  20  31.684  -0.700   9.792
  154    HG3  GLU  20           HG3      GLU  20  31.023  -1.741   8.533
  155    H    ARG  21           H        ARG  21  34.066  -1.816   6.336
  156    HA   ARG  21           HA       ARG  21  36.299  -3.494   6.294
  157    HB2  ARG  21           HB2      ARG  21  34.624  -2.128   4.278
  158    HB3  ARG  21           HB3      ARG  21  36.234  -2.589   3.741
  159    HG2  ARG  21           HG2      ARG  21  35.790  -4.816   3.855
  160    HG3  ARG  21           HG3      ARG  21  34.627  -4.629   5.169
  161    HD2  ARG  21           HD2      ARG  21  32.930  -4.581   3.735
  162    HD3  ARG  21           HD3      ARG  21  33.687  -3.281   2.814
  163    HE   ARG  21           HE       ARG  21  35.000  -5.586   2.078
  164   HH11  ARG  21          HH11      ARG  21  31.727  -4.402   1.996
  165   HH12  ARG  21          HH12      ARG  21  31.296  -5.310   0.585
  166   HH21  ARG  21          HH21      ARG  21  34.445  -6.786   0.220
  167   HH22  ARG  21          HH22      ARG  21  32.842  -6.667  -0.424
  168    H    ALA  22           H        ALA  22  36.031  -0.024   6.034
  169    HA   ALA  22           HA       ALA  22  38.506   0.594   4.907
  170    HB1  ALA  22           HB1      ALA  22  36.671   2.062   6.760
  171    HB2  ALA  22           HB2      ALA  22  38.236   2.746   6.318
  172    HB3  ALA  22           HB3      ALA  22  37.045   2.387   5.068
  173    H    VAL  23           H        VAL  23  37.621   0.248   8.338
  174    HA   VAL  23           HA       VAL  23  40.357   0.563   9.197
  175    HB   VAL  23           HB       VAL  23  38.154  -0.491  10.943
  176   HG11  VAL  23          HG11      VAL  23  40.683  -0.160  11.556
  177   HG12  VAL  23          HG12      VAL  23  40.198   1.526  11.740
  178   HG13  VAL  23          HG13      VAL  23  39.415   0.272  12.702
  179   HG21  VAL  23          HG21      VAL  23  37.787   2.016  11.467
  180   HG22  VAL  23          HG22      VAL  23  38.484   2.285   9.869
  181   HG23  VAL  23          HG23      VAL  23  37.017   1.322  10.040
  182    H    LEU  24           H        LEU  24  38.137  -2.070   8.582
  183    HA   LEU  24           HA       LEU  24  39.354  -4.157   9.921
  184    HB2  LEU  24           HB2      LEU  24  37.265  -3.940   8.224
  185    HB3  LEU  24           HB3      LEU  24  38.429  -4.764   7.189
  186    HG   LEU  24           HG       LEU  24  38.511  -6.218   9.537
  187   HD11  LEU  24          HD11      LEU  24  36.257  -6.687  10.169
  188   HD12  LEU  24          HD12      LEU  24  35.626  -5.623   8.913
  189   HD13  LEU  24          HD13      LEU  24  36.502  -4.944  10.284
  190   HD21  LEU  24          HD21      LEU  24  37.554  -6.527   6.797
  191   HD22  LEU  24          HD22      LEU  24  36.743  -7.586   7.950
  192   HD23  LEU  24          HD23      LEU  24  38.501  -7.626   7.800
  193    H    GLY  25           H        GLY  25  40.188  -2.736   6.794
  194    HA2  GLY  25           HA2      GLY  25  42.496  -4.552   6.613
  195    HA3  GLY  25           HA3      GLY  25  41.830  -3.614   5.284
  196    H    GLY  26           H        GLY  26  43.377  -3.165   8.464
  197    HA2  GLY  26           HA2      GLY  26  45.614  -1.883   7.960
  198    HA3  GLY  26           HA3      GLY  26  44.474  -0.616   7.531
  199    H    SER  27           H        SER  27  44.075   0.803   9.079
  200    HA   SER  27           HA       SER  27  43.355   0.169  11.706
  201    HB2  SER  27           HB2      SER  27  46.164   0.075  11.288
  202    HB3  SER  27           HB3      SER  27  45.822   1.520  12.239
  203    HG   SER  27           HG       SER  27  45.389  -1.174  12.865
  204    H    ARG  28           H        ARG  28  42.449   1.908  12.682
  205    HA   ARG  28           HA       ARG  28  43.199   4.602  11.963
  206    HB2  ARG  28           HB2      ARG  28  41.614   3.833  10.152
  207    HB3  ARG  28           HB3      ARG  28  40.374   3.705  11.392
  208    HG2  ARG  28           HG2      ARG  28  40.541   6.076  11.850
  209    HG3  ARG  28           HG3      ARG  28  41.853   6.228  10.679
  210    HD2  ARG  28           HD2      ARG  28  39.033   5.357  10.057
  211    HD3  ARG  28           HD3      ARG  28  39.699   6.961   9.755
  212    HE   ARG  28           HE       ARG  28  41.251   4.922   8.511
  213   HH11  ARG  28          HH11      ARG  28  38.326   6.785   8.202
  214   HH12  ARG  28          HH12      ARG  28  38.268   6.651   6.476
  215   HH21  ARG  28          HH21      ARG  28  41.186   4.738   6.239
  216   HH22  ARG  28          HH22      ARG  28  39.895   5.485   5.360
  217    H    ASP  29           H        ASP  29  43.526   3.670  14.382
  218    HA   ASP  29           HA       ASP  29  41.385   3.632  16.164
  219    HB2  ASP  29           HB2      ASP  29  43.945   3.108  16.487
  220    HB3  ASP  29           HB3      ASP  29  44.014   4.790  17.006
  221    H    TYR  30           H        TYR  30  39.878   5.201  16.098
  222    HA   TYR  30           HA       TYR  30  40.479   7.753  17.195
  223    HB2  TYR  30           HB2      TYR  30  40.470   7.484  14.284
  224    HB3  TYR  30           HB3      TYR  30  39.332   8.695  14.863
  225    HD1  TYR  30           HD1      TYR  30  40.342  10.332  16.703
  226    HD2  TYR  30           HD2      TYR  30  42.637   8.153  13.858
  227    HE1  TYR  30           HE1      TYR  30  42.183  11.942  16.962
  228    HE2  TYR  30           HE2      TYR  30  44.484   9.757  14.111
  229    HH   TYR  30           HH       TYR  30  44.623  12.299  14.861
  230    H    ASN  31           H        ASN  31  38.764   8.214  18.389
  231    HA   ASN  31           HA       ASN  31  36.367   6.823  18.357
  232    HB2  ASN  31           HB2      ASN  31  37.174   9.481  19.500
  233    HB3  ASN  31           HB3      ASN  31  35.505   8.933  19.622
  234   HD21  ASN  31          HD21      ASN  31  35.278   6.648  20.468
  235   HD22  ASN  31          HD22      ASN  31  36.279   6.225  21.811
  236    H    LYS  32           H        LYS  32  36.614  10.274  17.504
  237    HA   LYS  32           HA       LYS  32  34.295   9.964  15.755
  238    HB2  LYS  32           HB2      LYS  32  35.580  12.210  17.191
  239    HB3  LYS  32           HB3      LYS  32  34.866  12.604  15.633
  240    HG2  LYS  32           HG2      LYS  32  32.718  11.983  16.333
  241    HG3  LYS  32           HG3      LYS  32  33.337  11.118  17.742
  242    HD2  LYS  32           HD2      LYS  32  34.063  13.959  17.642
  243    HD3  LYS  32           HD3      LYS  32  32.330  13.652  17.781
  244    HE2  LYS  32           HE2      LYS  32  33.237  13.834  19.988
  245    HE3  LYS  32           HE3      LYS  32  32.822  12.144  19.703
  246    HZ1  LYS  32           HZ1      LYS  32  35.219  11.828  19.082
  247    HZ2  LYS  32           HZ2      LYS  32  34.931  12.157  20.716
  248    HZ3  LYS  32           HZ3      LYS  32  35.516  13.376  19.699
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   9.972   7.331  -4.247
    2    HA   ARG   1           HA       ARG   1   9.590   5.058  -4.155
    3    HB2  ARG   1           HB2      ARG   1  12.518   5.408  -4.750
    4    HB3  ARG   1           HB3      ARG   1  11.775   3.814  -4.736
    5    HG2  ARG   1           HG2      ARG   1  10.466   5.923  -6.356
    6    HG3  ARG   1           HG3      ARG   1  11.991   5.255  -6.944
    7    HD2  ARG   1           HD2      ARG   1  11.113   3.092  -7.105
    8    HD3  ARG   1           HD3      ARG   1   9.741   3.476  -6.066
    9    HE   ARG   1           HE       ARG   1   9.934   3.890  -8.896
   10   HH11  ARG   1          HH11      ARG   1   8.424   4.988  -5.958
   11   HH12  ARG   1          HH12      ARG   1   7.038   5.648  -6.763
   12   HH21  ARG   1          HH21      ARG   1   8.115   4.754  -9.967
   13   HH22  ARG   1          HH22      ARG   1   6.863   5.513  -9.043
   14    H    ARG   2           H        ARG   2   9.947   3.020  -3.063
   15    HA   ARG   2           HA       ARG   2  10.264   3.317  -0.279
   16    HB2  ARG   2           HB2      ARG   2  10.341   0.762  -1.894
   17    HB3  ARG   2           HB3      ARG   2  10.024   0.895  -0.170
   18    HG2  ARG   2           HG2      ARG   2   8.005   2.270  -0.748
   19    HG3  ARG   2           HG3      ARG   2   8.287   1.834  -2.435
   20    HD2  ARG   2           HD2      ARG   2   7.666  -0.004  -0.132
   21    HD3  ARG   2           HD3      ARG   2   6.675   0.313  -1.555
   22    HE   ARG   2           HE       ARG   2   9.106  -0.695  -2.447
   23   HH11  ARG   2          HH11      ARG   2   6.390  -1.751  -0.543
   24   HH12  ARG   2          HH12      ARG   2   6.566  -3.419  -0.978
   25   HH21  ARG   2          HH21      ARG   2   9.349  -2.888  -3.027
   26   HH22  ARG   2          HH22      ARG   2   8.250  -4.065  -2.391
   27    H    SER   3           H        SER   3  12.131   3.741   0.694
   28    HA   SER   3           HA       SER   3  14.289   1.966   0.723
   29    HB2  SER   3           HB2      SER   3  15.279   2.508  -1.241
   30    HB3  SER   3           HB3      SER   3  14.392   4.026  -1.379
   31    HG   SER   3           HG       SER   3  16.678   3.536   0.230
   32    H    ARG   4           H        ARG   4  13.174   5.270   1.119
   33    HA   ARG   4           HA       ARG   4  15.131   5.842   3.177
   34    HB2  ARG   4           HB2      ARG   4  13.030   7.373   1.735
   35    HB3  ARG   4           HB3      ARG   4  13.466   7.930   3.345
   36    HG2  ARG   4           HG2      ARG   4  15.546   7.412   1.252
   37    HG3  ARG   4           HG3      ARG   4  14.688   8.951   1.351
   38    HD2  ARG   4           HD2      ARG   4  15.787   7.955   3.891
   39    HD3  ARG   4           HD3      ARG   4  16.986   8.387   2.673
   40    HE   ARG   4           HE       ARG   4  15.263  10.502   2.713
   41   HH11  ARG   4          HH11      ARG   4  17.185   8.847   5.099
   42   HH12  ARG   4          HH12      ARG   4  17.414  10.255   6.081
   43   HH21  ARG   4          HH21      ARG   4  15.558  12.363   3.999
   44   HH22  ARG   4          HH22      ARG   4  16.487  12.255   5.455
   45    H    LYS   5           H        LYS   5  12.525   3.959   3.174
   46    HA   LYS   5           HA       LYS   5  12.090   4.312   6.025
   47    HB2  LYS   5           HB2      LYS   5  10.372   5.674   4.599
   48    HB3  LYS   5           HB3      LYS   5   9.647   4.099   4.301
   49    HG2  LYS   5           HG2      LYS   5   9.893   3.993   6.974
   50    HG3  LYS   5           HG3      LYS   5   9.695   5.732   6.751
   51    HD2  LYS   5           HD2      LYS   5   7.766   4.733   5.100
   52    HD3  LYS   5           HD3      LYS   5   7.764   3.552   6.412
   53    HE2  LYS   5           HE2      LYS   5   7.780   6.453   7.089
   54    HE3  LYS   5           HE3      LYS   5   6.278   5.725   6.522
   55    HZ1  LYS   5           HZ1      LYS   5   7.853   5.016   8.925
   56    HZ2  LYS   5           HZ2      LYS   5   6.662   3.994   8.297
   57    HZ3  LYS   5           HZ3      LYS   5   6.246   5.539   8.845
   58    H    ASN   6           H        ASN   6  11.287   2.515   3.083
   59    HA   ASN   6           HA       ASN   6  10.403   0.170   4.410
   60    HB2  ASN   6           HB2      ASN   6  10.970   0.994   1.646
   61    HB3  ASN   6           HB3      ASN   6  11.263  -0.714   1.960
   62   HD21  ASN   6          HD21      ASN   6   9.599  -1.907   1.423
   63   HD22  ASN   6          HD22      ASN   6   7.934  -1.490   1.617
   64    H    GLY   7           H        GLY   7  13.530   1.409   3.568
   65    HA2  GLY   7           HA2      GLY   7  14.932  -1.081   3.710
   66    HA3  GLY   7           HA3      GLY   7  15.652   0.522   3.743
   67    H    ILE   8           H        ILE   8  14.109  -1.960   5.706
   68    HA   ILE   8           HA       ILE   8  14.435  -0.710   8.207
   69    HB   ILE   8           HB       ILE   8  14.381  -3.671   7.612
   70   HG12  ILE   8          HG12      ILE   8  11.925  -2.763   8.673
   71   HG13  ILE   8          HG13      ILE   8  12.358  -1.637   7.391
   72   HG21  ILE   8          HG21      ILE   8  13.278  -3.475  10.028
   73   HG22  ILE   8          HG22      ILE   8  15.012  -3.681   9.792
   74   HG23  ILE   8          HG23      ILE   8  14.351  -2.078  10.108
   75   HD11  ILE   8          HD11      ILE   8  12.855  -3.999   6.179
   76   HD12  ILE   8          HD12      ILE   8  11.519  -4.439   7.243
   77   HD13  ILE   8          HD13      ILE   8  11.326  -3.126   6.081
   78    H    GLY   9           H        GLY   9  16.616  -2.555   6.196
   79    HA2  GLY   9           HA2      GLY   9  18.803  -1.859   8.007
   80    HA3  GLY   9           HA3      GLY   9  18.564  -3.565   7.660
   81    H    TYR  10           H        TYR  10  17.801  -1.346   5.150
   82    HA   TYR  10           HA       TYR  10  19.816  -2.464   3.452
   83    HB2  TYR  10           HB2      TYR  10  17.701  -0.359   3.099
   84    HB3  TYR  10           HB3      TYR  10  18.917  -0.630   1.856
   85    HD1  TYR  10           HD1      TYR  10  16.578  -2.653   3.966
   86    HD2  TYR  10           HD2      TYR  10  18.334  -2.048   0.138
   87    HE1  TYR  10           HE1      TYR  10  15.230  -4.501   3.062
   88    HE2  TYR  10           HE2      TYR  10  16.990  -3.894  -0.776
   89    HH   TYR  10           HH       TYR  10  15.354  -5.354  -0.378
   90    H    ALA  11           H        ALA  11  19.162   0.885   4.499
   91    HA   ALA  11           HA       ALA  11  21.667   1.866   3.581
   92    HB1  ALA  11           HB1      ALA  11  19.850   3.396   3.730
   93    HB2  ALA  11           HB2      ALA  11  19.607   3.035   5.440
   94    HB3  ALA  11           HB3      ALA  11  21.054   3.897   4.918
   95    H    ILE  12           H        ILE  12  20.406   1.250   6.859
   96    HA   ILE  12           HA       ILE  12  22.675   1.897   8.304
   97    HB   ILE  12           HB       ILE  12  20.690  -0.294   8.921
   98   HG12  ILE  12          HG12      ILE  12  20.436   2.144  10.455
   99   HG13  ILE  12          HG13      ILE  12  20.322   2.482   8.732
  100   HG21  ILE  12          HG21      ILE  12  21.476   0.529  11.325
  101   HG22  ILE  12          HG22      ILE  12  22.299  -0.764  10.454
  102   HG23  ILE  12          HG23      ILE  12  22.957   0.872  10.430
  103   HD11  ILE  12          HD11      ILE  12  18.152   2.038   9.879
  104   HD12  ILE  12          HD12      ILE  12  18.481   1.004   8.488
  105   HD13  ILE  12          HD13      ILE  12  18.692   0.377  10.123
  106    H    GLY  13           H        GLY  13  21.747  -1.296   7.016
  107    HA2  GLY  13           HA2      GLY  13  24.031  -2.672   7.911
  108    HA3  GLY  13           HA3      GLY  13  22.994  -3.173   6.583
  109    H    TYR  14           H        TYR  14  23.450  -0.775   5.012
  110    HA   TYR  14           HA       TYR  14  25.596  -1.613   3.454
  111    HB2  TYR  14           HB2      TYR  14  23.688  -0.007   2.850
  112    HB3  TYR  14           HB3      TYR  14  24.679   1.255   3.573
  113    HD1  TYR  14           HD1      TYR  14  26.867   1.840   2.560
  114    HD2  TYR  14           HD2      TYR  14  24.197  -0.898   0.695
  115    HE1  TYR  14           HE1      TYR  14  28.088   2.102   0.441
  116    HE2  TYR  14           HE2      TYR  14  25.411  -0.644  -1.429
  117    HH   TYR  14           HH       TYR  14  26.888   1.141  -2.502
  118    H    ALA  15           H        ALA  15  25.470   1.101   5.759
  119    HA   ALA  15           HA       ALA  15  28.219   1.755   5.508
  120    HB1  ALA  15           HB1      ALA  15  26.097   2.463   7.505
  121    HB2  ALA  15           HB2      ALA  15  27.769   2.983   7.713
  122    HB3  ALA  15           HB3      ALA  15  26.860   3.486   6.288
  123    H    PHE  16           H        PHE  16  26.406  -0.345   7.672
  124    HA   PHE  16           HA       PHE  16  28.323  -0.813   9.625
  125    HB2  PHE  16           HB2      PHE  16  25.870  -2.066   8.729
  126    HB3  PHE  16           HB3      PHE  16  27.046  -3.273   9.236
  127    HD1  PHE  16           HD2      PHE  16  28.178  -2.874  11.532
  128    HD2  PHE  16           HD1      PHE  16  24.552  -1.014  10.304
  129    HE1  PHE  16           HE2      PHE  16  27.606  -2.444  13.885
  130    HE2  PHE  16           HE1      PHE  16  23.974  -0.580  12.656
  131    HZ   PHE  16           HZ       PHE  16  25.501  -1.296  14.450
  132    H    GLY  17           H        GLY  17  27.740  -2.678   6.641
  133    HA2  GLY  17           HA2      GLY  17  29.784  -4.535   6.918
  134    HA3  GLY  17           HA3      GLY  17  29.151  -3.975   5.377
  135    H    ALA  18           H        ALA  18  29.940  -1.219   5.754
  136    HA   ALA  18           HA       ALA  18  32.632  -1.430   4.798
  137    HB1  ALA  18           HB1      ALA  18  31.366   1.178   5.521
  138    HB2  ALA  18           HB2      ALA  18  32.452   0.789   4.186
  139    HB3  ALA  18           HB3      ALA  18  30.769   0.261   4.137
  140    H    VAL  19           H        VAL  19  31.103  -0.163   7.733
  141    HA   VAL  19           HA       VAL  19  33.302   0.983   8.962
  142    HB   VAL  19           HB       VAL  19  31.010  -0.507  10.245
  143   HG11  VAL  19          HG11      VAL  19  33.131   1.262  11.443
  144   HG12  VAL  19          HG12      VAL  19  31.608   0.891  12.253
  145   HG13  VAL  19          HG13      VAL  19  32.741  -0.405  11.866
  146   HG21  VAL  19          HG21      VAL  19  31.004   1.849   8.803
  147   HG22  VAL  19          HG22      VAL  19  29.769   1.325   9.948
  148   HG23  VAL  19          HG23      VAL  19  31.071   2.388  10.481
  149    H    GLU  20           H        GLU  20  32.500  -2.377   8.547
  150    HA   GLU  20           HA       GLU  20  34.327  -3.364  10.521
  151    HB2  GLU  20           HB2      GLU  20  33.362  -5.001   8.203
  152    HB3  GLU  20           HB3      GLU  20  33.681  -5.503   9.857
  153    HG2  GLU  20           HG2      GLU  20  31.679  -3.775  10.293
  154    HG3  GLU  20           HG3      GLU  20  31.262  -4.315   8.667
  155    H    ARG  21           H        ARG  21  34.392  -2.994   6.998
  156    HA   ARG  21           HA       ARG  21  36.841  -4.230   6.498
  157    HB2  ARG  21           HB2      ARG  21  35.089  -2.327   5.093
  158    HB3  ARG  21           HB3      ARG  21  36.782  -2.243   4.626
  159    HG2  ARG  21           HG2      ARG  21  36.224  -4.956   4.660
  160    HG3  ARG  21           HG3      ARG  21  34.778  -4.217   3.970
  161    HD2  ARG  21           HD2      ARG  21  37.508  -3.432   3.019
  162    HD3  ARG  21           HD3      ARG  21  36.721  -4.882   2.399
  163    HE   ARG  21           HE       ARG  21  36.087  -2.169   1.752
  164   HH11  ARG  21          HH11      ARG  21  34.786  -5.385   2.041
  165   HH12  ARG  21          HH12      ARG  21  33.501  -5.107   0.912
  166   HH21  ARG  21          HH21      ARG  21  34.400  -1.791   0.264
  167   HH22  ARG  21          HH22      ARG  21  33.283  -3.063  -0.099
  168    H    ALA  22           H        ALA  22  36.101  -1.064   7.760
  169    HA   ALA  22           HA       ALA  22  38.573   0.194   7.325
  170    HB1  ALA  22           HB1      ALA  22  37.702   1.329   9.640
  171    HB2  ALA  22           HB2      ALA  22  37.169   1.795   8.024
  172    HB3  ALA  22           HB3      ALA  22  36.205   0.670   8.981
  173    H    VAL  23           H        VAL  23  37.387  -1.725  10.066
  174    HA   VAL  23           HA       VAL  23  39.892  -1.501  11.481
  175    HB   VAL  23           HB       VAL  23  37.747  -3.490  12.155
  176   HG11  VAL  23          HG11      VAL  23  38.566  -3.346  14.336
  177   HG12  VAL  23          HG12      VAL  23  40.020  -3.299  13.337
  178   HG13  VAL  23          HG13      VAL  23  39.376  -1.810  14.031
  179   HG21  VAL  23          HG21      VAL  23  37.639  -0.517  12.393
  180   HG22  VAL  23          HG22      VAL  23  36.364  -1.657  11.964
  181   HG23  VAL  23          HG23      VAL  23  36.893  -1.516  13.640
  182    H    LEU  24           H        LEU  24  38.288  -3.837   9.419
  183    HA   LEU  24           HA       LEU  24  39.846  -6.091   9.955
  184    HB2  LEU  24           HB2      LEU  24  37.765  -5.522   8.301
  185    HB3  LEU  24           HB3      LEU  24  39.083  -5.706   7.145
  186    HG   LEU  24           HG       LEU  24  39.286  -7.915   8.844
  187   HD11  LEU  24          HD11      LEU  24  36.836  -8.764   8.227
  188   HD12  LEU  24          HD12      LEU  24  36.481  -7.055   8.470
  189   HD13  LEU  24          HD13      LEU  24  37.219  -7.994   9.767
  190   HD21  LEU  24          HD21      LEU  24  38.578  -9.152   6.825
  191   HD22  LEU  24          HD22      LEU  24  39.799  -7.924   6.488
  192   HD23  LEU  24          HD23      LEU  24  38.108  -7.622   6.084
  193    H    GLY  25           H        GLY  25  40.509  -3.250   8.038
  194    HA2  GLY  25           HA2      GLY  25  43.065  -4.448   7.176
  195    HA3  GLY  25           HA3      GLY  25  42.257  -3.119   6.358
  196    H    GLY  26           H        GLY  26  41.764  -1.266   8.148
  197    HA2  GLY  26           HA2      GLY  26  43.181  -0.558  10.259
  198    HA3  GLY  26           HA3      GLY  26  44.440  -0.491   9.035
  199    H    SER  27           H        SER  27  43.184   1.620  10.722
  200    HA   SER  27           HA       SER  27  43.111   3.669   8.776
  201    HB2  SER  27           HB2      SER  27  40.589   4.220   9.633
  202    HB3  SER  27           HB3      SER  27  40.955   3.390   8.121
  203    HG   SER  27           HG       SER  27  40.637   1.975  10.544
  204    H    ARG  28           H        ARG  28  42.274   5.789   9.823
  205    HA   ARG  28           HA       ARG  28  42.469   5.860  12.710
  206    HB2  ARG  28           HB2      ARG  28  44.839   5.969  11.480
  207    HB3  ARG  28           HB3      ARG  28  44.394   7.664  11.337
  208    HG2  ARG  28           HG2      ARG  28  44.003   7.662  13.820
  209    HG3  ARG  28           HG3      ARG  28  44.739   6.058  13.852
  210    HD2  ARG  28           HD2      ARG  28  46.326   7.992  12.371
  211    HD3  ARG  28           HD3      ARG  28  46.064   8.473  14.047
  212    HE   ARG  28           HE       ARG  28  47.755   6.387  13.121
  213   HH11  ARG  28          HH11      ARG  28  45.632   7.281  15.731
  214   HH12  ARG  28          HH12      ARG  28  46.439   6.289  16.901
  215   HH21  ARG  28          HH21      ARG  28  48.826   5.077  14.652
  216   HH22  ARG  28          HH22      ARG  28  48.256   5.037  16.286
  217    H    ASP  29           H        ASP  29  40.277   6.486  11.327
  218    HA   ASP  29           HA       ASP  29  39.672   9.093  12.113
  219    HB2  ASP  29           HB2      ASP  29  40.956   8.925   9.531
  220    HB3  ASP  29           HB3      ASP  29  39.316   9.547   9.362
  221    H    TYR  30           H        TYR  30  37.484   9.681  11.676
  222    HA   TYR  30           HA       TYR  30  35.794   7.985  10.101
  223    HB2  TYR  30           HB2      TYR  30  34.369   7.381  12.169
  224    HB3  TYR  30           HB3      TYR  30  35.827   6.444  11.863
  225    HD1  TYR  30           HD2      TYR  30  37.837   6.789  13.257
  226    HD2  TYR  30           HD1      TYR  30  34.167   8.765  14.113
  227    HE1  TYR  30           HE2      TYR  30  38.651   7.309  15.519
  228    HE2  TYR  30           HE1      TYR  30  34.972   9.291  16.377
  229    HH   TYR  30           HH       TYR  30  37.035   9.511  17.593
  230    H    ASN  31           H        ASN  31  34.328   9.307   9.277
  231    HA   ASN  31           HA       ASN  31  32.605  10.934  10.753
  232    HB2  ASN  31           HB2      ASN  31  35.078  12.123  10.627
  233    HB3  ASN  31           HB3      ASN  31  34.249  12.851   9.254
  234   HD21  ASN  31          HD21      ASN  31  34.667  12.865  12.600
  235   HD22  ASN  31          HD22      ASN  31  33.425  13.997  13.000
  236    H    LYS  32           H        LYS  32  30.854  10.961   9.524
  237    HA   LYS  32           HA       LYS  32  31.060  10.550   6.666
  238    HB2  LYS  32           HB2      LYS  32  28.909  10.419   8.703
  239    HB3  LYS  32           HB3      LYS  32  28.414  10.840   7.068
  240    HG2  LYS  32           HG2      LYS  32  29.168   8.799   6.195
  241    HG3  LYS  32           HG3      LYS  32  30.114   8.436   7.641
  242    HD2  LYS  32           HD2      LYS  32  28.185   7.970   8.910
  243    HD3  LYS  32           HD3      LYS  32  27.122   8.719   7.718
  244    HE2  LYS  32           HE2      LYS  32  28.783   6.284   7.115
  245    HE3  LYS  32           HE3      LYS  32  27.154   6.182   7.782
  246    HZ1  LYS  32           HZ1      LYS  32  26.278   6.565   5.795
  247    HZ2  LYS  32           HZ2      LYS  32  27.821   6.369   5.133
  248    HZ3  LYS  32           HZ3      LYS  32  27.259   7.916   5.524
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   5.327   7.362  -2.130
    2    HA   ARG   1           HA       ARG   1   5.278   6.759   0.745
    3    HB2  ARG   1           HB2      ARG   1   3.649   5.680  -1.557
    4    HB3  ARG   1           HB3      ARG   1   3.595   5.005   0.066
    5    HG2  ARG   1           HG2      ARG   1   2.474   6.803   0.928
    6    HG3  ARG   1           HG3      ARG   1   3.110   7.918  -0.282
    7    HD2  ARG   1           HD2      ARG   1   1.426   5.761  -1.347
    8    HD3  ARG   1           HD3      ARG   1   0.592   6.896  -0.287
    9    HE   ARG   1           HE       ARG   1   2.084   8.386  -2.103
   10   HH11  ARG   1          HH11      ARG   1  -0.607   6.177  -2.119
   11   HH12  ARG   1          HH12      ARG   1  -1.346   6.882  -3.519
   12   HH21  ARG   1          HH21      ARG   1   1.121   9.323  -3.947
   13   HH22  ARG   1          HH22      ARG   1  -0.361   8.671  -4.558
   14    H    ARG   2           H        ARG   2   7.605   6.227   0.526
   15    HA   ARG   2           HA       ARG   2   8.291   3.841  -0.950
   16    HB2  ARG   2           HB2      ARG   2  10.532   4.187  -0.128
   17    HB3  ARG   2           HB3      ARG   2   9.881   5.729  -0.666
   18    HG2  ARG   2           HG2      ARG   2   9.303   6.194   1.741
   19    HG3  ARG   2           HG3      ARG   2  10.254   4.766   2.155
   20    HD2  ARG   2           HD2      ARG   2  11.640   6.714   2.386
   21    HD3  ARG   2           HD3      ARG   2  12.194   5.784   0.994
   22    HE   ARG   2           HE       ARG   2  11.651   7.551  -0.353
   23   HH11  ARG   2          HH11      ARG   2  10.084   7.950   2.730
   24   HH12  ARG   2          HH12      ARG   2   9.516   9.549   2.381
   25   HH21  ARG   2          HH21      ARG   2  10.908   9.655  -0.824
   26   HH22  ARG   2          HH22      ARG   2   9.984  10.518   0.359
   27    H    SER   3           H        SER   3   8.752   1.832  -0.120
   28    HA   SER   3           HA       SER   3   8.850   1.267   2.668
   29    HB2  SER   3           HB2      SER   3   6.458   1.603   2.588
   30    HB3  SER   3           HB3      SER   3   6.315   0.556   1.176
   31    HG   SER   3           HG       SER   3   5.764  -0.532   3.113
   32    H    ARG   4           H        ARG   4   7.428  -0.597  -0.005
   33    HA   ARG   4           HA       ARG   4   9.301  -2.750   0.490
   34    HB2  ARG   4           HB2      ARG   4   6.899  -2.421  -1.288
   35    HB3  ARG   4           HB3      ARG   4   7.979  -3.797  -1.469
   36    HG2  ARG   4           HG2      ARG   4   7.045  -3.274   1.271
   37    HG3  ARG   4           HG3      ARG   4   5.807  -3.777   0.119
   38    HD2  ARG   4           HD2      ARG   4   6.484  -5.844   0.728
   39    HD3  ARG   4           HD3      ARG   4   7.734  -5.548  -0.481
   40    HE   ARG   4           HE       ARG   4   8.477  -4.641   2.131
   41   HH11  ARG   4          HH11      ARG   4   8.309  -7.418   0.038
   42   HH12  ARG   4          HH12      ARG   4   9.580  -8.270   0.850
   43   HH21  ARG   4          HH21      ARG   4  10.152  -5.753   3.209
   44   HH22  ARG   4          HH22      ARG   4  10.627  -7.323   2.655
   45    H    LYS   5           H        LYS   5  10.856  -0.768  -0.248
   46    HA   LYS   5           HA       LYS   5  12.091  -1.697  -2.628
   47    HB2  LYS   5           HB2      LYS   5  10.166  -0.288  -3.509
   48    HB3  LYS   5           HB3      LYS   5  10.991   1.105  -2.822
   49    HG2  LYS   5           HG2      LYS   5  11.827   1.222  -4.917
   50    HG3  LYS   5           HG3      LYS   5  13.011   0.105  -4.234
   51    HD2  LYS   5           HD2      LYS   5  12.346  -1.567  -5.563
   52    HD3  LYS   5           HD3      LYS   5  10.639  -1.249  -5.241
   53    HE2  LYS   5           HE2      LYS   5  12.298   0.434  -7.106
   54    HE3  LYS   5           HE3      LYS   5  11.399  -0.985  -7.642
   55    HZ1  LYS   5           HZ1      LYS   5   9.391   0.031  -7.258
   56    HZ2  LYS   5           HZ2      LYS   5  10.319   1.346  -7.778
   57    HZ3  LYS   5           HZ3      LYS   5  10.016   1.124  -6.129
   58    H    ASN   6           H        ASN   6  11.749   0.917  -0.286
   59    HA   ASN   6           HA       ASN   6  14.201   2.171  -0.583
   60    HB2  ASN   6           HB2      ASN   6  12.554   3.146   0.853
   61    HB3  ASN   6           HB3      ASN   6  12.519   1.718   1.884
   62   HD21  ASN   6          HD21      ASN   6  14.086   1.430   3.419
   63   HD22  ASN   6          HD22      ASN   6  15.236   2.650   3.834
   64    H    GLY   7           H        GLY   7  13.411  -0.860   0.977
   65    HA2  GLY   7           HA2      GLY   7  14.803  -2.593   1.596
   66    HA3  GLY   7           HA3      GLY   7  16.157  -1.669   0.963
   67    H    ILE   8           H        ILE   8  14.482  -2.680   3.755
   68    HA   ILE   8           HA       ILE   8  15.295  -0.739   5.613
   69    HB   ILE   8           HB       ILE   8  14.839  -3.683   6.115
   70   HG12  ILE   8          HG12      ILE   8  12.912  -2.622   5.022
   71   HG13  ILE   8          HG13      ILE   8  12.546  -3.029   6.695
   72   HG21  ILE   8          HG21      ILE   8  15.595  -3.149   8.152
   73   HG22  ILE   8          HG22      ILE   8  15.475  -1.418   7.844
   74   HG23  ILE   8          HG23      ILE   8  14.050  -2.323   8.353
   75   HD11  ILE   8          HD11      ILE   8  13.561  -0.390   6.654
   76   HD12  ILE   8          HD12      ILE   8  12.338  -0.526   5.391
   77   HD13  ILE   8          HD13      ILE   8  11.935  -0.941   7.057
   78    H    GLY   9           H        GLY   9  16.629  -4.042   5.420
   79    HA2  GLY   9           HA2      GLY   9  18.986  -3.410   6.823
   80    HA3  GLY   9           HA3      GLY   9  18.741  -4.840   5.831
   81    H    TYR  10           H        TYR  10  18.128  -2.919   3.527
   82    HA   TYR  10           HA       TYR  10  20.671  -3.004   2.334
   83    HB2  TYR  10           HB2      TYR  10  18.144  -1.521   1.622
   84    HB3  TYR  10           HB3      TYR  10  19.596  -1.433   0.631
   85    HD1  TYR  10           HD1      TYR  10  17.013  -3.735   1.947
   86    HD2  TYR  10           HD2      TYR  10  20.165  -3.186  -0.859
   87    HE1  TYR  10           HE1      TYR  10  16.345  -5.806   0.799
   88    HE2  TYR  10           HE2      TYR  10  19.505  -5.254  -2.014
   89    HH   TYR  10           HH       TYR  10  17.612  -6.697  -2.269
   90    H    ALA  11           H        ALA  11  18.818  -0.238   3.601
   91    HA   ALA  11           HA       ALA  11  20.915   1.639   3.183
   92    HB1  ALA  11           HB1      ALA  11  18.541   1.862   5.028
   93    HB2  ALA  11           HB2      ALA  11  19.542   3.187   4.432
   94    HB3  ALA  11           HB3      ALA  11  18.535   2.270   3.312
   95    H    ILE  12           H        ILE  12  19.584   0.230   6.181
   96    HA   ILE  12           HA       ILE  12  21.412   1.284   7.967
   97    HB   ILE  12           HB       ILE  12  20.108  -1.438   8.100
   98   HG12  ILE  12          HG12      ILE  12  19.060   0.732   9.768
   99   HG13  ILE  12          HG13      ILE  12  18.891   1.035   8.042
  100   HG21  ILE  12          HG21      ILE  12  20.383  -0.983  10.611
  101   HG22  ILE  12          HG22      ILE  12  21.803  -1.495   9.700
  102   HG23  ILE  12          HG23      ILE  12  21.592   0.204  10.122
  103   HD11  ILE  12          HD11      ILE  12  17.292  -0.583   9.711
  104   HD12  ILE  12          HD12      ILE  12  17.129  -0.291   7.979
  105   HD13  ILE  12          HD13      ILE  12  18.104  -1.642   8.558
  106    H    GLY  13           H        GLY  13  21.614  -1.785   6.176
  107    HA2  GLY  13           HA2      GLY  13  24.087  -2.611   7.253
  108    HA3  GLY  13           HA3      GLY  13  23.392  -3.170   5.739
  109    H    TYR  14           H        TYR  14  23.293  -0.438   4.633
  110    HA   TYR  14           HA       TYR  14  25.687  -0.422   3.229
  111    HB2  TYR  14           HB2      TYR  14  23.494   0.798   2.699
  112    HB3  TYR  14           HB3      TYR  14  24.085   2.076   3.754
  113    HD1  TYR  14           HD2      TYR  14  26.129   3.339   3.137
  114    HD2  TYR  14           HD1      TYR  14  24.367   0.507   0.496
  115    HE1  TYR  14           HE2      TYR  14  27.400   4.303   1.265
  116    HE2  TYR  14           HE1      TYR  14  25.634   1.462  -1.383
  117    HH   TYR  14           HH       TYR  14  27.442   4.415  -1.068
  118    H    ALA  15           H        ALA  15  24.731   1.665   5.953
  119    HA   ALA  15           HA       ALA  15  27.242   2.966   6.156
  120    HB1  ALA  15           HB1      ALA  15  24.876   2.739   7.984
  121    HB2  ALA  15           HB2      ALA  15  26.349   3.572   8.482
  122    HB3  ALA  15           HB3      ALA  15  25.446   4.139   7.076
  123    H    PHE  16           H        PHE  16  25.822   0.166   7.777
  124    HA   PHE  16           HA       PHE  16  27.760  -0.229   9.741
  125    HB2  PHE  16           HB2      PHE  16  25.650  -1.830   8.480
  126    HB3  PHE  16           HB3      PHE  16  26.999  -2.786   9.084
  127    HD1  PHE  16           HD2      PHE  16  27.828  -1.717  11.512
  128    HD2  PHE  16           HD1      PHE  16  23.880  -1.775   9.921
  129    HE1  PHE  16           HE2      PHE  16  26.911  -1.572  13.790
  130    HE2  PHE  16           HE1      PHE  16  22.957  -1.628  12.197
  131    HZ   PHE  16           HZ       PHE  16  24.473  -1.528  14.135
  132    H    GLY  17           H        GLY  17  27.554  -1.705   6.500
  133    HA2  GLY  17           HA2      GLY  17  29.899  -3.187   6.581
  134    HA3  GLY  17           HA3      GLY  17  29.191  -2.526   5.115
  135    H    ALA  18           H        ALA  18  29.465   0.241   5.939
  136    HA   ALA  18           HA       ALA  18  32.152   0.663   5.045
  137    HB1  ALA  18           HB1      ALA  18  31.047   2.425   4.235
  138    HB2  ALA  18           HB2      ALA  18  29.753   2.271   5.423
  139    HB3  ALA  18           HB3      ALA  18  31.237   3.127   5.842
  140    H    VAL  19           H        VAL  19  30.415   1.156   8.093
  141    HA   VAL  19           HA       VAL  19  32.370   2.464   9.552
  142    HB   VAL  19           HB       VAL  19  30.380   0.407  10.518
  143   HG11  VAL  19          HG11      VAL  19  31.816   0.471  12.303
  144   HG12  VAL  19          HG12      VAL  19  32.340   2.121  11.964
  145   HG13  VAL  19          HG13      VAL  19  30.762   1.828  12.696
  146   HG21  VAL  19          HG21      VAL  19  30.027   3.004   9.518
  147   HG22  VAL  19          HG22      VAL  19  28.838   1.999  10.347
  148   HG23  VAL  19          HG23      VAL  19  29.837   3.124  11.267
  149    H    GLU  20           H        GLU  20  32.165  -0.890   8.626
  150    HA   GLU  20           HA       GLU  20  34.157  -1.818  10.464
  151    HB2  GLU  20           HB2      GLU  20  33.466  -3.247   7.921
  152    HB3  GLU  20           HB3      GLU  20  33.886  -3.918   9.491
  153    HG2  GLU  20           HG2      GLU  20  31.617  -2.642  10.137
  154    HG3  GLU  20           HG3      GLU  20  31.284  -3.016   8.447
  155    H    ARG  21           H        ARG  21  34.121  -1.047   6.997
  156    HA   ARG  21           HA       ARG  21  36.776  -1.700   6.432
  157    HB2  ARG  21           HB2      ARG  21  34.647  -0.132   5.157
  158    HB3  ARG  21           HB3      ARG  21  36.271   0.403   4.746
  159    HG2  ARG  21           HG2      ARG  21  36.105  -1.147   3.137
  160    HG3  ARG  21           HG3      ARG  21  36.538  -2.265   4.432
  161    HD2  ARG  21           HD2      ARG  21  34.273  -2.869   4.789
  162    HD3  ARG  21           HD3      ARG  21  33.692  -1.545   3.781
  163    HE   ARG  21           HE       ARG  21  35.270  -3.133   2.158
  164   HH11  ARG  21          HH11      ARG  21  32.349  -3.474   4.021
  165   HH12  ARG  21          HH12      ARG  21  31.670  -4.680   2.979
  166   HH21  ARG  21          HH21      ARG  21  34.388  -4.720   0.779
  167   HH22  ARG  21          HH22      ARG  21  32.831  -5.389   1.135
  168    H    ALA  22           H        ALA  22  35.364   1.184   7.837
  169    HA   ALA  22           HA       ALA  22  37.495   2.958   7.578
  170    HB1  ALA  22           HB1      ALA  22  36.417   4.299   9.115
  171    HB2  ALA  22           HB2      ALA  22  35.092   3.302   8.512
  172    HB3  ALA  22           HB3      ALA  22  35.840   2.929  10.065
  173    H    VAL  23           H        VAL  23  36.793   0.667  10.209
  174    HA   VAL  23           HA       VAL  23  39.257   1.282  11.572
  175    HB   VAL  23           HB       VAL  23  37.560  -1.121  12.167
  176   HG11  VAL  23          HG11      VAL  23  39.842  -0.170  13.303
  177   HG12  VAL  23          HG12      VAL  23  38.605   0.573  14.319
  178   HG13  VAL  23          HG13      VAL  23  38.653  -1.180  14.125
  179   HG21  VAL  23          HG21      VAL  23  35.849   0.428  12.112
  180   HG22  VAL  23          HG22      VAL  23  36.384   0.549  13.788
  181   HG23  VAL  23          HG23      VAL  23  36.894   1.758  12.611
  182    H    LEU  24           H        LEU  24  38.109  -1.108   9.311
  183    HA   LEU  24           HA       LEU  24  39.929  -3.158   9.658
  184    HB2  LEU  24           HB2      LEU  24  37.945  -2.655   7.904
  185    HB3  LEU  24           HB3      LEU  24  39.347  -2.409   6.864
  186    HG   LEU  24           HG       LEU  24  39.811  -4.832   8.192
  187   HD11  LEU  24          HD11      LEU  24  37.713  -6.054   7.351
  188   HD12  LEU  24          HD12      LEU  24  36.939  -4.472   7.420
  189   HD13  LEU  24          HD13      LEU  24  37.617  -5.185   8.883
  190   HD21  LEU  24          HD21      LEU  24  39.115  -3.955   5.431
  191   HD22  LEU  24          HD22      LEU  24  39.151  -5.680   5.797
  192   HD23  LEU  24          HD23      LEU  24  40.595  -4.696   6.042
  193    H    GLY  25           H        GLY  25  40.353  -0.048   8.080
  194    HA2  GLY  25           HA2      GLY  25  42.925  -0.706   6.973
  195    HA3  GLY  25           HA3      GLY  25  42.188   0.889   7.027
  196    H    GLY  26           H        GLY  26  41.832   1.318   9.694
  197    HA2  GLY  26           HA2      GLY  26  42.927   1.626  11.732
  198    HA3  GLY  26           HA3      GLY  26  44.309   0.746  11.095
  199    H    SER  27           H        SER  27  43.698   3.529  12.400
  200    HA   SER  27           HA       SER  27  45.903   4.870  11.263
  201    HB2  SER  27           HB2      SER  27  44.759   5.581   9.396
  202    HB3  SER  27           HB3      SER  27  43.198   5.567  10.216
  203    HG   SER  27           HG       SER  27  44.358   7.682   9.691
  204    H    ARG  28           H        ARG  28  46.447   6.780  12.386
  205    HA   ARG  28           HA       ARG  28  45.321   6.909  15.038
  206    HB2  ARG  28           HB2      ARG  28  47.091   8.625  15.417
  207    HB3  ARG  28           HB3      ARG  28  47.710   7.085  14.837
  208    HG2  ARG  28           HG2      ARG  28  47.250   8.554  12.529
  209    HG3  ARG  28           HG3      ARG  28  47.922   9.718  13.674
  210    HD2  ARG  28           HD2      ARG  28  49.726   8.708  12.454
  211    HD3  ARG  28           HD3      ARG  28  49.775   8.129  14.118
  212    HE   ARG  28           HE       ARG  28  48.295   6.347  12.494
  213   HH11  ARG  28          HH11      ARG  28  51.551   7.372  13.177
  214   HH12  ARG  28          HH12      ARG  28  52.262   5.857  12.729
  215   HH21  ARG  28          HH21      ARG  28  49.219   4.347  11.901
  216   HH22  ARG  28          HH22      ARG  28  50.934   4.137  12.002
  217    H    ASP  29           H        ASP  29  43.204   7.560  13.833
  218    HA   ASP  29           HA       ASP  29  42.559  10.171  14.575
  219    HB2  ASP  29           HB2      ASP  29  43.922  10.133  12.131
  220    HB3  ASP  29           HB3      ASP  29  42.224  10.321  11.701
  221    H    TYR  30           H        TYR  30  40.346  10.780  13.952
  222    HA   TYR  30           HA       TYR  30  38.131  10.232  13.933
  223    HB2  TYR  30           HB2      TYR  30  38.937   8.422  11.651
  224    HB3  TYR  30           HB3      TYR  30  37.355   9.142  11.928
  225    HD1  TYR  30           HD2      TYR  30  37.281  11.750  11.953
  226    HD2  TYR  30           HD1      TYR  30  40.438   9.477  10.230
  227    HE1  TYR  30           HE2      TYR  30  37.917  13.687  10.577
  228    HE2  TYR  30           HE1      TYR  30  41.084  11.409   8.850
  229    HH   TYR  30           HH       TYR  30  39.198  14.404   8.887
  230    H    ASN  31           H        ASN  31  38.869   9.036  16.013
  231    HA   ASN  31           HA       ASN  31  39.130   6.287  16.177
  232    HB2  ASN  31           HB2      ASN  31  38.639   6.483  18.472
  233    HB3  ASN  31           HB3      ASN  31  39.317   8.049  18.037
  234   HD21  ASN  31          HD21      ASN  31  37.969   9.847  17.923
  235   HD22  ASN  31          HD22      ASN  31  36.400   9.860  18.647
  236    H    LYS  32           H        LYS  32  36.279   8.216  15.642
  237    HA   LYS  32           HA       LYS  32  34.111   7.690  15.194
  238    HB2  LYS  32           HB2      LYS  32  35.739   5.612  13.987
  239    HB3  LYS  32           HB3      LYS  32  34.148   5.006  14.430
  240    HG2  LYS  32           HG2      LYS  32  33.263   7.112  13.228
  241    HG3  LYS  32           HG3      LYS  32  34.871   7.173  12.501
  242    HD2  LYS  32           HD2      LYS  32  34.027   5.789  10.954
  243    HD3  LYS  32           HD3      LYS  32  34.180   4.538  12.189
  244    HE2  LYS  32           HE2      LYS  32  31.731   6.235  11.717
  245    HE3  LYS  32           HE3      LYS  32  31.945   4.580  11.149
  246    HZ1  LYS  32           HZ1      LYS  32  32.452   4.263  13.730
  247    HZ2  LYS  32           HZ2      LYS  32  30.899   4.123  13.076
  248    HZ3  LYS  32           HZ3      LYS  32  31.374   5.563  13.825
  Start of MODEL    9
    1    H1   ARG   1           H        ARG   1   6.509   8.606  -2.109
    2    HA   ARG   1           HA       ARG   1   8.843   8.864  -2.468
    3    HB2  ARG   1           HB2      ARG   1   8.756   9.248   0.497
    4    HB3  ARG   1           HB3      ARG   1  10.258   8.725  -0.254
    5    HG2  ARG   1           HG2      ARG   1  10.721  10.820  -0.781
    6    HG3  ARG   1           HG3      ARG   1   9.257  10.899  -1.764
    7    HD2  ARG   1           HD2      ARG   1   8.157  11.207   0.647
    8    HD3  ARG   1           HD3      ARG   1   9.757  11.861   0.993
    9    HE   ARG   1           HE       ARG   1   8.737  12.985  -1.390
   10   HH11  ARG   1          HH11      ARG   1   8.335  13.084   2.066
   11   HH12  ARG   1          HH12      ARG   1   7.755  14.717   2.083
   12   HH21  ARG   1          HH21      ARG   1   7.975  15.135  -1.381
   13   HH22  ARG   1          HH22      ARG   1   7.549  15.882   0.121
   14    H    ARG   2           H        ARG   2   7.859   6.703  -3.143
   15    HA   ARG   2           HA       ARG   2   8.263   4.427  -1.483
   16    HB2  ARG   2           HB2      ARG   2   7.924   4.604  -4.483
   17    HB3  ARG   2           HB3      ARG   2   7.822   3.128  -3.532
   18    HG2  ARG   2           HG2      ARG   2   6.045   5.232  -2.581
   19    HG3  ARG   2           HG3      ARG   2   5.718   4.728  -4.240
   20    HD2  ARG   2           HD2      ARG   2   6.208   2.535  -2.349
   21    HD3  ARG   2           HD3      ARG   2   4.757   3.483  -2.026
   22    HE   ARG   2           HE       ARG   2   5.135   1.615  -4.134
   23   HH11  ARG   2          HH11      ARG   2   3.579   4.627  -3.341
   24   HH12  ARG   2          HH12      ARG   2   2.313   4.429  -4.507
   25   HH21  ARG   2          HH21      ARG   2   3.473   1.344  -5.672
   26   HH22  ARG   2          HH22      ARG   2   2.253   2.561  -5.832
   27    H    SER   3           H        SER   3  10.394   4.473  -0.756
   28    HA   SER   3           HA       SER   3  12.295   3.217  -2.479
   29    HB2  SER   3           HB2      SER   3  12.283   5.980  -2.647
   30    HB3  SER   3           HB3      SER   3  13.564   5.654  -1.480
   31    HG   SER   3           HG       SER   3  14.754   4.876  -3.028
   32    H    ARG   4           H        ARG   4  11.702   4.968   0.528
   33    HA   ARG   4           HA       ARG   4  13.838   3.574   1.903
   34    HB2  ARG   4           HB2      ARG   4  12.898   6.023   2.277
   35    HB3  ARG   4           HB3      ARG   4  11.789   5.186   3.354
   36    HG2  ARG   4           HG2      ARG   4  13.384   5.536   4.884
   37    HG3  ARG   4           HG3      ARG   4  14.154   4.132   4.142
   38    HD2  ARG   4           HD2      ARG   4  15.463   5.593   2.701
   39    HD3  ARG   4           HD3      ARG   4  14.665   7.007   3.388
   40    HE   ARG   4           HE       ARG   4  16.096   6.889   5.160
   41   HH11  ARG   4          HH11      ARG   4  16.057   3.803   3.549
   42   HH12  ARG   4          HH12      ARG   4  17.327   3.134   4.520
   43   HH21  ARG   4          HH21      ARG   4  17.768   6.020   6.444
   44   HH22  ARG   4          HH22      ARG   4  18.299   4.395   6.167
   45    H    LYS   5           H        LYS   5  12.309   1.633   0.987
   46    HA   LYS   5           HA       LYS   5  11.473   0.246   3.294
   47    HB2  LYS   5           HB2      LYS   5   9.541   1.859   2.955
   48    HB3  LYS   5           HB3      LYS   5   9.186   0.987   1.470
   49    HG2  LYS   5           HG2      LYS   5   9.021  -1.100   2.876
   50    HG3  LYS   5           HG3      LYS   5   9.076  -0.044   4.289
   51    HD2  LYS   5           HD2      LYS   5   6.782  -0.465   3.826
   52    HD3  LYS   5           HD3      LYS   5   7.113   1.191   3.311
   53    HE2  LYS   5           HE2      LYS   5   7.661  -0.270   1.052
   54    HE3  LYS   5           HE3      LYS   5   6.293  -1.136   1.749
   55    HZ1  LYS   5           HZ1      LYS   5   6.142   1.784   1.572
   56    HZ2  LYS   5           HZ2      LYS   5   4.907   0.633   1.467
   57    HZ3  LYS   5           HZ3      LYS   5   5.939   0.888   0.151
   58    H    ASN   6           H        ASN   6  11.134   0.571  -0.209
   59    HA   ASN   6           HA       ASN   6  10.603  -2.134  -0.773
   60    HB2  ASN   6           HB2      ASN   6  11.204   0.275  -2.268
   61    HB3  ASN   6           HB3      ASN   6  12.016  -1.122  -2.968
   62   HD21  ASN   6          HD21      ASN   6   8.859  -0.151  -1.682
   63   HD22  ASN   6          HD22      ASN   6   7.926  -1.010  -2.855
   64    H    GLY   7           H        GLY   7  13.557  -0.411  -0.106
   65    HA2  GLY   7           HA2      GLY   7  15.212  -2.651  -0.976
   66    HA3  GLY   7           HA3      GLY   7  15.787  -1.102  -0.376
   67    H    ILE   8           H        ILE   8  14.636  -4.278   0.501
   68    HA   ILE   8           HA       ILE   8  14.741  -3.887   3.321
   69    HB   ILE   8           HB       ILE   8  14.878  -6.465   1.753
   70   HG12  ILE   8          HG12      ILE   8  12.380  -6.203   2.979
   71   HG13  ILE   8          HG13      ILE   8  12.716  -4.611   2.307
   72   HG21  ILE   8          HG21      ILE   8  14.319  -5.929   4.665
   73   HG22  ILE   8          HG22      ILE   8  14.068  -7.481   3.868
   74   HG23  ILE   8          HG23      ILE   8  15.692  -6.803   3.987
   75   HD11  ILE   8          HD11      ILE   8  13.300  -6.801   0.474
   76   HD12  ILE   8          HD12      ILE   8  11.606  -6.699   0.957
   77   HD13  ILE   8          HD13      ILE   8  12.397  -5.308   0.217
   78    H    GLY   9           H        GLY   9  16.763  -6.103   1.395
   79    HA2  GLY   9           HA2      GLY   9  18.830  -6.191   3.323
   80    HA3  GLY   9           HA3      GLY   9  18.949  -6.755   1.663
   81    H    TYR  10           H        TYR  10  18.116  -3.917   0.846
   82    HA   TYR  10           HA       TYR  10  20.711  -2.962   0.308
   83    HB2  TYR  10           HB2      TYR  10  17.976  -1.723   0.082
   84    HB3  TYR  10           HB3      TYR  10  19.431  -0.822  -0.328
   85    HD1  TYR  10           HD2      TYR  10  17.391  -3.775  -1.213
   86    HD2  TYR  10           HD1      TYR  10  20.568  -1.196  -2.381
   87    HE1  TYR  10           HE2      TYR  10  17.362  -4.768  -3.463
   88    HE2  TYR  10           HE1      TYR  10  20.547  -2.181  -4.634
   89    HH   TYR  10           HH       TYR  10  19.292  -3.455  -6.075
   90    H    ALA  11           H        ALA  11  18.204  -1.687   2.499
   91    HA   ALA  11           HA       ALA  11  19.858   0.306   3.638
   92    HB1  ALA  11           HB1      ALA  11  17.276   0.075   3.647
   93    HB2  ALA  11           HB2      ALA  11  17.539  -0.882   5.106
   94    HB3  ALA  11           HB3      ALA  11  18.084   0.794   5.041
   95    H    ILE  12           H        ILE  12  18.690  -2.766   5.035
   96    HA   ILE  12           HA       ILE  12  20.175  -2.721   7.369
   97    HB   ILE  12           HB       ILE  12  19.422  -5.151   5.741
   98   HG12  ILE  12          HG12      ILE  12  17.889  -4.488   8.155
   99   HG13  ILE  12          HG13      ILE  12  17.743  -3.294   6.870
  100   HG21  ILE  12          HG21      ILE  12  21.030  -5.878   7.284
  101   HG22  ILE  12          HG22      ILE  12  20.411  -4.825   8.555
  102   HG23  ILE  12          HG23      ILE  12  19.482  -6.236   8.049
  103   HD11  ILE  12          HD11      ILE  12  17.457  -5.766   5.614
  104   HD12  ILE  12          HD12      ILE  12  16.526  -5.880   7.109
  105   HD13  ILE  12          HD13      ILE  12  16.196  -4.582   5.961
  106    H    GLY  13           H        GLY  13  21.063  -4.157   4.233
  107    HA2  GLY  13           HA2      GLY  13  23.585  -5.123   5.021
  108    HA3  GLY  13           HA3      GLY  13  23.100  -4.767   3.370
  109    H    TYR  14           H        TYR  14  22.540  -1.944   4.013
  110    HA   TYR  14           HA       TYR  14  24.980  -0.823   3.284
  111    HB2  TYR  14           HB2      TYR  14  22.632   0.193   3.134
  112    HB3  TYR  14           HB3      TYR  14  22.861   0.686   4.808
  113    HD1  TYR  14           HD2      TYR  14  24.643   2.316   5.381
  114    HD2  TYR  14           HD1      TYR  14  23.710   1.347   1.344
  115    HE1  TYR  14           HE2      TYR  14  25.826   4.337   4.628
  116    HE2  TYR  14           HE1      TYR  14  24.891   3.364   0.580
  117    HH   TYR  14           HH       TYR  14  25.508   5.861   2.205
  118    H    ALA  15           H        ALA  15  23.417  -0.829   6.486
  119    HA   ALA  15           HA       ALA  15  25.577   0.426   7.822
  120    HB1  ALA  15           HB1      ALA  15  23.191  -1.133   8.754
  121    HB2  ALA  15           HB2      ALA  15  24.419  -0.564   9.887
  122    HB3  ALA  15           HB3      ALA  15  23.519   0.594   8.907
  123    H    PHE  16           H        PHE  16  24.692  -2.949   7.293
  124    HA   PHE  16           HA       PHE  16  26.517  -4.157   9.021
  125    HB2  PHE  16           HB2      PHE  16  24.806  -4.977   6.841
  126    HB3  PHE  16           HB3      PHE  16  26.345  -5.827   6.771
  127    HD1  PHE  16           HD1      PHE  16  27.150  -6.579   9.267
  128    HD2  PHE  16           HD2      PHE  16  23.137  -6.079   7.941
  129    HE1  PHE  16           HE1      PHE  16  26.381  -8.119  11.026
  130    HE2  PHE  16           HE2      PHE  16  22.361  -7.616   9.698
  131    HZ   PHE  16           HZ       PHE  16  23.983  -8.638  11.244
  132    H    GLY  17           H        GLY  17  26.882  -3.557   5.520
  133    HA2  GLY  17           HA2      GLY  17  29.501  -4.425   5.243
  134    HA3  GLY  17           HA3      GLY  17  28.755  -3.186   4.245
  135    H    ALA  18           H        ALA  18  28.306  -1.410   6.552
  136    HA   ALA  18           HA       ALA  18  30.831  -0.062   6.470
  137    HB1  ALA  18           HB1      ALA  18  28.261   0.528   7.921
  138    HB2  ALA  18           HB2      ALA  18  29.684   1.568   7.998
  139    HB3  ALA  18           HB3      ALA  18  28.877   1.290   6.455
  140    H    VAL  19           H        VAL  19  28.991  -1.799   8.949
  141    HA   VAL  19           HA       VAL  19  30.553  -1.268  11.170
  142    HB   VAL  19           HB       VAL  19  29.111  -3.827  10.468
  143   HG11  VAL  19          HG11      VAL  19  30.386  -2.908  13.031
  144   HG12  VAL  19          HG12      VAL  19  29.122  -4.139  12.986
  145   HG13  VAL  19          HG13      VAL  19  30.653  -4.414  12.154
  146   HG21  VAL  19          HG21      VAL  19  27.740  -2.514  12.476
  147   HG22  VAL  19          HG22      VAL  19  28.256  -1.212  11.402
  148   HG23  VAL  19          HG23      VAL  19  27.302  -2.553  10.768
  149    H    GLU  20           H        GLU  20  31.183  -3.378   8.470
  150    HA   GLU  20           HA       GLU  20  33.315  -4.824   9.724
  151    HB2  GLU  20           HB2      GLU  20  33.029  -4.554   6.752
  152    HB3  GLU  20           HB3      GLU  20  33.577  -5.935   7.691
  153    HG2  GLU  20           HG2      GLU  20  30.773  -4.953   7.292
  154    HG3  GLU  20           HG3      GLU  20  31.462  -6.517   6.860
  155    H    ARG  21           H        ARG  21  33.170  -2.220   7.303
  156    HA   ARG  21           HA       ARG  21  35.933  -1.890   6.988
  157    HB2  ARG  21           HB2      ARG  21  33.519  -0.260   6.419
  158    HB3  ARG  21           HB3      ARG  21  35.055   0.595   6.475
  159    HG2  ARG  21           HG2      ARG  21  35.393  -1.767   4.925
  160    HG3  ARG  21           HG3      ARG  21  33.958  -0.912   4.355
  161    HD2  ARG  21           HD2      ARG  21  35.256   1.134   4.114
  162    HD3  ARG  21           HD3      ARG  21  36.688   0.314   4.736
  163    HE   ARG  21           HE       ARG  21  37.025  -0.556   2.655
  164   HH11  ARG  21          HH11      ARG  21  33.706   0.462   2.911
  165   HH12  ARG  21          HH12      ARG  21  33.343   0.142   1.248
  166   HH21  ARG  21          HH21      ARG  21  36.560  -0.981   0.463
  167   HH22  ARG  21          HH22      ARG  21  34.967  -0.680  -0.144
  168    H    ALA  22           H        ALA  22  33.716  -0.693   9.409
  169    HA   ALA  22           HA       ALA  22  35.256   1.364  10.507
  170    HB1  ALA  22           HB1      ALA  22  33.336   1.521  11.617
  171    HB2  ALA  22           HB2      ALA  22  32.912  -0.153  11.256
  172    HB3  ALA  22           HB3      ALA  22  33.918   0.220  12.656
  173    H    VAL  23           H        VAL  23  35.150  -2.092  11.333
  174    HA   VAL  23           HA       VAL  23  37.262  -1.820  13.280
  175    HB   VAL  23           HB       VAL  23  36.317  -4.446  12.174
  176   HG11  VAL  23          HG11      VAL  23  37.090  -5.355  14.136
  177   HG12  VAL  23          HG12      VAL  23  38.228  -4.024  13.921
  178   HG13  VAL  23          HG13      VAL  23  36.877  -3.858  15.042
  179   HG21  VAL  23          HG21      VAL  23  34.771  -2.476  13.738
  180   HG22  VAL  23          HG22      VAL  23  34.217  -3.749  12.651
  181   HG23  VAL  23          HG23      VAL  23  34.702  -4.146  14.299
  182    H    LEU  24           H        LEU  24  36.957  -2.729   9.928
  183    HA   LEU  24           HA       LEU  24  39.298  -4.147   9.512
  184    HB2  LEU  24           HB2      LEU  24  37.305  -3.237   7.928
  185    HB3  LEU  24           HB3      LEU  24  38.619  -2.168   7.438
  186    HG   LEU  24           HG       LEU  24  39.735  -4.719   7.397
  187   HD11  LEU  24          HD11      LEU  24  38.096  -5.820   5.770
  188   HD12  LEU  24          HD12      LEU  24  36.884  -4.744   6.466
  189   HD13  LEU  24          HD13      LEU  24  37.727  -5.905   7.493
  190   HD21  LEU  24          HD21      LEU  24  39.286  -4.301   4.822
  191   HD22  LEU  24          HD22      LEU  24  40.448  -3.335   5.732
  192   HD23  LEU  24          HD23      LEU  24  38.833  -2.702   5.412
  193    H    GLY  25           H        GLY  25  38.813  -0.698   9.914
  194    HA2  GLY  25           HA2      GLY  25  41.747  -0.371   9.888
  195    HA3  GLY  25           HA3      GLY  25  40.698   0.793   9.092
  196    H    GLY  26           H        GLY  26  39.874  -0.742  12.131
  197    HA2  GLY  26           HA2      GLY  26  39.767   0.083  14.281
  198    HA3  GLY  26           HA3      GLY  26  40.865   1.363  13.790
  199    H    SER  27           H        SER  27  38.434   1.444  15.465
  200    HA   SER  27           HA       SER  27  36.287   2.609  14.079
  201    HB2  SER  27           HB2      SER  27  36.677   1.820  16.645
  202    HB3  SER  27           HB3      SER  27  36.774   3.570  16.834
  203    HG   SER  27           HG       SER  27  34.662   2.243  15.485
  204    H    ARG  28           H        ARG  28  39.353   3.862  15.014
  205    HA   ARG  28           HA       ARG  28  39.014   6.244  13.536
  206    HB2  ARG  28           HB2      ARG  28  39.198   7.859  15.422
  207    HB3  ARG  28           HB3      ARG  28  37.664   7.000  15.380
  208    HG2  ARG  28           HG2      ARG  28  38.804   5.387  17.055
  209    HG3  ARG  28           HG3      ARG  28  39.934   6.721  17.299
  210    HD2  ARG  28           HD2      ARG  28  36.938   6.855  17.623
  211    HD3  ARG  28           HD3      ARG  28  38.115   6.774  18.933
  212    HE   ARG  28           HE       ARG  28  38.729   8.973  17.309
  213   HH11  ARG  28          HH11      ARG  28  36.272   7.903  19.531
  214   HH12  ARG  28          HH12      ARG  28  35.844   9.505  20.033
  215   HH21  ARG  28          HH21      ARG  28  38.175  11.087  17.962
  216   HH22  ARG  28          HH22      ARG  28  36.926  11.316  19.139
  217    H    ASP  29           H        ASP  29  40.972   6.605  12.751
  218    HA   ASP  29           HA       ASP  29  43.296   5.341  13.620
  219    HB2  ASP  29           HB2      ASP  29  43.221   7.952  12.103
  220    HB3  ASP  29           HB3      ASP  29  44.480   6.722  12.060
  221    H    TYR  30           H        TYR  30  42.482   8.800  13.961
  222    HA   TYR  30           HA       TYR  30  43.514   8.892  16.631
  223    HB2  TYR  30           HB2      TYR  30  45.185  10.782  15.868
  224    HB3  TYR  30           HB3      TYR  30  45.670   9.090  15.838
  225    HD1  TYR  30           HD2      TYR  30  45.812   7.879  13.696
  226    HD2  TYR  30           HD1      TYR  30  44.925  12.037  13.840
  227    HE1  TYR  30           HE2      TYR  30  46.348   8.070  11.303
  228    HE2  TYR  30           HE1      TYR  30  45.457  12.240  11.448
  229    HH   TYR  30           HH       TYR  30  45.419  10.306   9.384
  230    H    ASN  31           H        ASN  31  42.760  10.845  13.758
  231    HA   ASN  31           HA       ASN  31  40.569  12.148  14.895
  232    HB2  ASN  31           HB2      ASN  31  41.604  14.453  15.135
  233    HB3  ASN  31           HB3      ASN  31  42.018  13.294  16.395
  234   HD21  ASN  31          HD21      ASN  31  44.094  12.863  16.774
  235   HD22  ASN  31          HD22      ASN  31  45.417  13.439  15.824
  236    H    LYS  32           H        LYS  32  40.958  11.002  12.480
  237    HA   LYS  32           HA       LYS  32  40.198  13.061  10.686
  238    HB2  LYS  32           HB2      LYS  32  43.022  12.388  10.811
  239    HB3  LYS  32           HB3      LYS  32  42.356  12.092   9.210
  240    HG2  LYS  32           HG2      LYS  32  41.330  14.557   9.854
  241    HG3  LYS  32           HG3      LYS  32  42.950  14.601  10.553
  242    HD2  LYS  32           HD2      LYS  32  43.977  14.235   8.480
  243    HD3  LYS  32           HD3      LYS  32  42.483  13.650   7.744
  244    HE2  LYS  32           HE2      LYS  32  41.844  15.713   7.173
  245    HE3  LYS  32           HE3      LYS  32  42.237  16.360   8.765
  246    HZ1  LYS  32           HZ1      LYS  32  43.973  17.346   7.838
  247    HZ2  LYS  32           HZ2      LYS  32  43.687  16.592   6.351
  248    HZ3  LYS  32           HZ3      LYS  32  44.649  15.829   7.514
  Start of MODEL   10
    1    H1   ARG   1           H        ARG   1   4.910   0.865  -3.544
    2    HA   ARG   1           HA       ARG   1   6.654  -0.890  -4.104
    3    HB2  ARG   1           HB2      ARG   1   7.203   0.895  -6.081
    4    HB3  ARG   1           HB3      ARG   1   8.459   1.296  -4.917
    5    HG2  ARG   1           HG2      ARG   1   9.471  -0.768  -5.094
    6    HG3  ARG   1           HG3      ARG   1   8.004  -1.551  -5.686
    7    HD2  ARG   1           HD2      ARG   1   9.030  -1.400  -7.684
    8    HD3  ARG   1           HD3      ARG   1   8.427   0.256  -7.649
    9    HE   ARG   1           HE       ARG   1  10.855   0.363  -6.390
   10   HH11  ARG   1          HH11      ARG   1   9.717  -0.687  -9.508
   11   HH12  ARG   1          HH12      ARG   1  11.195  -0.300 -10.323
   12   HH21  ARG   1          HH21      ARG   1  12.807   0.877  -7.452
   13   HH22  ARG   1          HH22      ARG   1  12.953   0.589  -9.152
   14    H    ARG   2           H        ARG   2   7.007  -1.221  -1.995
   15    HA   ARG   2           HA       ARG   2   7.509   0.773  -0.083
   16    HB2  ARG   2           HB2      ARG   2   8.256  -1.140   1.363
   17    HB3  ARG   2           HB3      ARG   2   6.663  -1.338   0.644
   18    HG2  ARG   2           HG2      ARG   2   8.709  -2.451  -1.055
   19    HG3  ARG   2           HG3      ARG   2   8.779  -3.137   0.569
   20    HD2  ARG   2           HD2      ARG   2   6.081  -2.879  -0.573
   21    HD3  ARG   2           HD3      ARG   2   7.140  -4.020  -1.400
   22    HE   ARG   2           HE       ARG   2   5.974  -4.318   1.205
   23   HH11  ARG   2          HH11      ARG   2   8.622  -5.241  -0.857
   24   HH12  ARG   2          HH12      ARG   2   8.933  -6.723  -0.014
   25   HH21  ARG   2          HH21      ARG   2   6.373  -6.265   2.323
   26   HH22  ARG   2          HH22      ARG   2   7.652  -7.304   1.795
   27    H    SER   3           H        SER   3   9.268   1.934   0.305
   28    HA   SER   3           HA       SER   3  11.902   0.828   0.209
   29    HB2  SER   3           HB2      SER   3  10.892   1.999  -2.192
   30    HB3  SER   3           HB3      SER   3  12.143   3.060  -1.544
   31    HG   SER   3           HG       SER   3  12.353   0.319  -2.220
   32    H    ARG   4           H        ARG   4  10.044   2.331   1.968
   33    HA   ARG   4           HA       ARG   4  11.984   4.213   2.985
   34    HB2  ARG   4           HB2      ARG   4   9.349   5.093   1.843
   35    HB3  ARG   4           HB3      ARG   4  10.108   5.997   3.147
   36    HG2  ARG   4           HG2      ARG   4  11.067   7.135   1.475
   37    HG3  ARG   4           HG3      ARG   4  12.179   5.766   1.424
   38    HD2  ARG   4           HD2      ARG   4  11.590   5.739  -0.757
   39    HD3  ARG   4           HD3      ARG   4  10.222   4.812  -0.142
   40    HE   ARG   4           HE       ARG   4   9.477   7.468  -0.016
   41   HH11  ARG   4          HH11      ARG   4  10.427   5.196  -2.477
   42   HH12  ARG   4          HH12      ARG   4   9.483   5.948  -3.720
   43   HH21  ARG   4          HH21      ARG   4   8.230   8.468  -1.644
   44   HH22  ARG   4          HH22      ARG   4   8.234   7.810  -3.245
   45    H    LYS   5           H        LYS   5  10.590   1.722   3.782
   46    HA   LYS   5           HA       LYS   5   9.959   2.522   6.475
   47    HB2  LYS   5           HB2      LYS   5   7.840   2.187   4.603
   48    HB3  LYS   5           HB3      LYS   5   7.781   0.837   5.729
   49    HG2  LYS   5           HG2      LYS   5   8.170   2.992   7.384
   50    HG3  LYS   5           HG3      LYS   5   7.109   3.638   6.130
   51    HD2  LYS   5           HD2      LYS   5   5.761   1.447   6.515
   52    HD3  LYS   5           HD3      LYS   5   6.628   1.394   8.051
   53    HE2  LYS   5           HE2      LYS   5   4.629   2.521   8.531
   54    HE3  LYS   5           HE3      LYS   5   5.838   3.796   8.385
   55    HZ1  LYS   5           HZ1      LYS   5   5.026   4.424   6.306
   56    HZ2  LYS   5           HZ2      LYS   5   3.629   4.144   7.217
   57    HZ3  LYS   5           HZ3      LYS   5   4.151   2.991   6.095
   58    H    ASN   6           H        ASN   6   9.848  -0.112   4.097
   59    HA   ASN   6           HA       ASN   6  10.022  -2.247   5.897
   60    HB2  ASN   6           HB2      ASN   6  10.244  -1.858   3.033
   61    HB3  ASN   6           HB3      ASN   6  11.405  -3.055   3.601
   62   HD21  ASN   6          HD21      ASN   6   8.141  -2.378   2.911
   63   HD22  ASN   6          HD22      ASN   6   7.485  -3.912   3.362
   64    H    GLY   7           H        GLY   7  12.428  -0.034   4.734
   65    HA2  GLY   7           HA2      GLY   7  14.402  -1.354   6.462
   66    HA3  GLY   7           HA3      GLY   7  14.836  -1.014   4.794
   67    H    ILE   8           H        ILE   8  13.747   0.524   7.795
   68    HA   ILE   8           HA       ILE   8  14.097   3.180   7.109
   69    HB   ILE   8           HB       ILE   8  14.741   1.976   9.802
   70   HG12  ILE   8          HG12      ILE   8  12.148   3.182   9.668
   71   HG13  ILE   8          HG13      ILE   8  12.288   2.004   8.367
   72   HG21  ILE   8          HG21      ILE   8  15.475   4.165   9.917
   73   HG22  ILE   8          HG22      ILE   8  14.216   4.753   8.832
   74   HG23  ILE   8          HG23      ILE   8  13.812   4.300  10.488
   75   HD11  ILE   8          HD11      ILE   8  12.797   0.261   9.921
   76   HD12  ILE   8          HD12      ILE   8  12.887   1.414  11.253
   77   HD13  ILE   8          HD13      ILE   8  11.342   1.095  10.466
   78    H    GLY   9           H        GLY   9  16.499   0.868   8.319
   79    HA2  GLY   9           HA2      GLY   9  18.596   2.701   7.355
   80    HA3  GLY   9           HA3      GLY   9  18.719   1.982   8.954
   81    H    TYR  10           H        TYR  10  17.321   0.082   6.442
   82    HA   TYR  10           HA       TYR  10  19.380  -1.890   6.692
   83    HB2  TYR  10           HB2      TYR  10  16.860  -1.662   5.078
   84    HB3  TYR  10           HB3      TYR  10  18.013  -2.950   4.746
   85    HD1  TYR  10           HD1      TYR  10  16.451  -1.407   7.780
   86    HD2  TYR  10           HD2      TYR  10  17.499  -4.973   5.709
   87    HE1  TYR  10           HE1      TYR  10  15.471  -2.743   9.598
   88    HE2  TYR  10           HE2      TYR  10  16.521  -6.319   7.520
   89    HH   TYR  10           HH       TYR  10  16.094  -5.758  10.204
   90    H    ALA  11           H        ALA  11  18.158  -0.075   3.872
   91    HA   ALA  11           HA       ALA  11  20.366  -0.786   2.224
   92    HB1  ALA  11           HB1      ALA  11  19.220   0.203   0.559
   93    HB2  ALA  11           HB2      ALA  11  17.895   0.182   1.724
   94    HB3  ALA  11           HB3      ALA  11  18.862   1.641   1.515
   95    H    ILE  12           H        ILE  12  19.454   2.253   3.846
   96    HA   ILE  12           HA       ILE  12  21.609   3.808   3.066
   97    HB   ILE  12           HB       ILE  12  20.176   3.883   5.723
   98   HG12  ILE  12          HG12      ILE  12  19.438   5.988   3.940
   99   HG13  ILE  12          HG13      ILE  12  19.287   4.460   3.080
  100   HG21  ILE  12          HG21      ILE  12  21.865   5.293   6.214
  101   HG22  ILE  12          HG22      ILE  12  22.275   5.560   4.520
  102   HG23  ILE  12          HG23      ILE  12  20.923   6.428   5.247
  103   HD11  ILE  12          HD11      ILE  12  17.719   3.634   4.615
  104   HD12  ILE  12          HD12      ILE  12  18.089   4.893   5.794
  105   HD13  ILE  12          HD13      ILE  12  17.241   5.302   4.303
  106    H    GLY  13           H        GLY  13  21.312   1.812   6.006
  107    HA2  GLY  13           HA2      GLY  13  23.900   2.331   6.987
  108    HA3  GLY  13           HA3      GLY  13  22.905   0.947   7.414
  109    H    TYR  14           H        TYR  14  22.720  -0.007   4.657
  110    HA   TYR  14           HA       TYR  14  24.841  -1.800   4.630
  111    HB2  TYR  14           HB2      TYR  14  22.619  -1.906   3.353
  112    HB3  TYR  14           HB3      TYR  14  23.410  -0.920   2.128
  113    HD1  TYR  14           HD1      TYR  14  25.351  -1.826   0.876
  114    HD2  TYR  14           HD2      TYR  14  23.100  -4.234   3.567
  115    HE1  TYR  14           HE1      TYR  14  26.311  -3.850  -0.140
  116    HE2  TYR  14           HE2      TYR  14  24.055  -6.264   2.559
  117    HH   TYR  14           HH       TYR  14  25.278  -7.081   0.872
  118    H    ALA  15           H        ALA  15  24.409   1.121   2.637
  119    HA   ALA  15           HA       ALA  15  26.946   0.942   1.385
  120    HB1  ALA  15           HB1      ALA  15  25.360   2.199   0.223
  121    HB2  ALA  15           HB2      ALA  15  24.922   3.138   1.651
  122    HB3  ALA  15           HB3      ALA  15  26.476   3.407   0.861
  123    H    PHE  16           H        PHE  16  25.769   2.617   4.257
  124    HA   PHE  16           HA       PHE  16  28.025   4.208   4.749
  125    HB2  PHE  16           HB2      PHE  16  25.651   3.347   6.233
  126    HB3  PHE  16           HB3      PHE  16  27.053   3.625   7.261
  127    HD1  PHE  16           HD1      PHE  16  28.362   5.871   6.687
  128    HD2  PHE  16           HD2      PHE  16  24.261   5.121   5.828
  129    HE1  PHE  16           HE1      PHE  16  27.938   8.293   6.613
  130    HE2  PHE  16           HE2      PHE  16  23.830   7.542   5.752
  131    HZ   PHE  16           HZ       PHE  16  25.670   9.132   6.144
  132    H    GLY  17           H        GLY  17  27.196   0.950   5.905
  133    HA2  GLY  17           HA2      GLY  17  29.412   0.542   7.555
  134    HA3  GLY  17           HA3      GLY  17  28.506  -0.732   6.752
  135    H    ALA  18           H        ALA  18  29.105   0.275   4.073
  136    HA   ALA  18           HA       ALA  18  31.595  -1.090   3.701
  137    HB1  ALA  18           HB1      ALA  18  29.959   0.450   1.689
  138    HB2  ALA  18           HB2      ALA  18  31.239  -0.712   1.337
  139    HB3  ALA  18           HB3      ALA  18  29.739  -1.254   2.090
  140    H    VAL  19           H        VAL  19  30.511   2.273   3.431
  141    HA   VAL  19           HA       VAL  19  32.795   3.430   2.379
  142    HB   VAL  19           HB       VAL  19  30.887   4.579   4.420
  143   HG11  VAL  19          HG11      VAL  19  31.781   6.756   3.232
  144   HG12  VAL  19          HG12      VAL  19  32.627   6.055   4.613
  145   HG13  VAL  19          HG13      VAL  19  33.209   5.753   2.975
  146   HG21  VAL  19          HG21      VAL  19  30.701   5.651   1.758
  147   HG22  VAL  19          HG22      VAL  19  30.518   3.898   1.729
  148   HG23  VAL  19          HG23      VAL  19  29.458   4.878   2.742
  149    H    GLU  20           H        GLU  20  32.152   2.335   5.639
  150    HA   GLU  20           HA       GLU  20  34.427   3.622   6.811
  151    HB2  GLU  20           HB2      GLU  20  33.095   1.218   8.007
  152    HB3  GLU  20           HB3      GLU  20  33.800   2.611   8.815
  153    HG2  GLU  20           HG2      GLU  20  31.825   3.822   7.462
  154    HG3  GLU  20           HG3      GLU  20  31.103   2.231   7.695
  155    H    ARG  21           H        ARG  21  33.694   0.331   5.713
  156    HA   ARG  21           HA       ARG  21  36.070  -0.898   6.504
  157    HB2  ARG  21           HB2      ARG  21  33.881  -1.487   4.645
  158    HB3  ARG  21           HB3      ARG  21  35.417  -2.203   4.174
  159    HG2  ARG  21           HG2      ARG  21  34.431  -2.503   6.976
  160    HG3  ARG  21           HG3      ARG  21  33.786  -3.526   5.691
  161    HD2  ARG  21           HD2      ARG  21  36.338  -3.872   5.145
  162    HD3  ARG  21           HD3      ARG  21  36.535  -3.406   6.834
  163    HE   ARG  21           HE       ARG  21  34.569  -5.366   6.746
  164   HH11  ARG  21          HH11      ARG  21  37.961  -5.055   6.029
  165   HH12  ARG  21          HH12      ARG  21  38.322  -6.712   6.386
  166   HH21  ARG  21          HH21      ARG  21  35.031  -7.549   7.219
  167   HH22  ARG  21          HH22      ARG  21  36.654  -8.129   7.062
  168    H    ALA  22           H        ALA  22  35.371   1.179   3.798
  169    HA   ALA  22           HA       ALA  22  37.532   0.563   2.130
  170    HB1  ALA  22           HB1      ALA  22  35.653   1.949   1.418
  171    HB2  ALA  22           HB2      ALA  22  36.173   3.228   2.515
  172    HB3  ALA  22           HB3      ALA  22  37.190   2.771   1.148
  173    H    VAL  23           H        VAL  23  37.261   3.019   4.693
  174    HA   VAL  23           HA       VAL  23  40.043   3.745   4.453
  175    HB   VAL  23           HB       VAL  23  38.290   4.529   6.760
  176   HG11  VAL  23          HG11      VAL  23  40.498   5.288   7.018
  177   HG12  VAL  23          HG12      VAL  23  40.630   5.742   5.318
  178   HG13  VAL  23          HG13      VAL  23  39.607   6.681   6.406
  179   HG21  VAL  23          HG21      VAL  23  38.111   5.446   3.917
  180   HG22  VAL  23          HG22      VAL  23  36.815   5.051   5.046
  181   HG23  VAL  23          HG23      VAL  23  37.726   6.549   5.239
  182    H    LEU  24           H        LEU  24  38.131   1.572   6.360
  183    HA   LEU  24           HA       LEU  24  39.764   1.248   8.599
  184    HB2  LEU  24           HB2      LEU  24  37.422   0.187   7.777
  185    HB3  LEU  24           HB3      LEU  24  38.497  -1.186   7.521
  186    HG   LEU  24           HG       LEU  24  38.964  -0.090  10.125
  187   HD11  LEU  24          HD11      LEU  24  36.133  -1.013   9.784
  188   HD12  LEU  24          HD12      LEU  24  36.563   0.694   9.696
  189   HD13  LEU  24          HD13      LEU  24  36.884  -0.220  11.169
  190   HD21  LEU  24          HD21      LEU  24  39.446  -2.385   9.324
  191   HD22  LEU  24          HD22      LEU  24  37.712  -2.701   9.284
  192   HD23  LEU  24          HD23      LEU  24  38.509  -2.350  10.818
  193    H    GLY  25           H        GLY  25  39.986  -0.133   5.371
  194    HA2  GLY  25           HA2      GLY  25  41.981  -2.062   5.970
  195    HA3  GLY  25           HA3      GLY  25  41.589  -1.444   4.372
  196    H    GLY  26           H        GLY  26  42.113   1.349   5.543
  197    HA2  GLY  26           HA2      GLY  26  45.056   1.193   5.620
  198    HA3  GLY  26           HA3      GLY  26  44.255   2.290   4.506
  199    H    SER  27           H        SER  27  43.551   1.511   7.901
  200    HA   SER  27           HA       SER  27  44.599   3.932   8.938
  201    HB2  SER  27           HB2      SER  27  42.653   4.865   7.711
  202    HB3  SER  27           HB3      SER  27  41.584   3.834   8.662
  203    HG   SER  27           HG       SER  27  42.492   6.226   9.290
  204    H    ARG  28           H        ARG  28  44.368   4.094  11.210
  205    HA   ARG  28           HA       ARG  28  42.858   2.070  12.625
  206    HB2  ARG  28           HB2      ARG  28  44.687   0.998  13.691
  207    HB3  ARG  28           HB3      ARG  28  45.058   1.004  11.972
  208    HG2  ARG  28           HG2      ARG  28  46.255   3.296  12.723
  209    HG3  ARG  28           HG3      ARG  28  46.410   2.353  14.206
  210    HD2  ARG  28           HD2      ARG  28  47.355   1.588  11.449
  211    HD3  ARG  28           HD3      ARG  28  48.355   1.984  12.846
  212    HE   ARG  28           HE       ARG  28  46.680  -0.188  13.475
  213   HH11  ARG  28          HH11      ARG  28  49.455   0.606  11.528
  214   HH12  ARG  28          HH12      ARG  28  50.109  -0.997  11.574
  215   HH21  ARG  28          HH21      ARG  28  47.532  -2.303  13.543
  216   HH22  ARG  28          HH22      ARG  28  49.015  -2.652  12.720
  217    H    ASP  29           H        ASP  29  43.124   5.042  12.403
  218    HA   ASP  29           HA       ASP  29  44.323   6.179  14.637
  219    HB2  ASP  29           HB2      ASP  29  41.735   7.098  13.373
  220    HB3  ASP  29           HB3      ASP  29  42.877   8.081  14.285
  221    H    TYR  30           H        TYR  30  41.187   4.621  14.298
  222    HA   TYR  30           HA       TYR  30  39.564   4.078  15.806
  223    HB2  TYR  30           HB2      TYR  30  42.158   3.525  17.148
  224    HB3  TYR  30           HB3      TYR  30  40.713   3.477  18.151
  225    HD1  TYR  30           HD2      TYR  30  41.903   2.198  14.844
  226    HD2  TYR  30           HD1      TYR  30  39.630   1.452  18.363
  227    HE1  TYR  30           HE2      TYR  30  41.437  -0.084  14.053
  228    HE2  TYR  30           HE1      TYR  30  39.159  -0.832  17.582
  229    HH   TYR  30           HH       TYR  30  40.007  -2.475  16.079
  230    H    ASN  31           H        ASN  31  38.974   6.438  15.648
  231    HA   ASN  31           HA       ASN  31  39.670   8.367  17.505
  232    HB2  ASN  31           HB2      ASN  31  37.801   8.136  15.446
  233    HB3  ASN  31           HB3      ASN  31  36.837   8.484  16.878
  234   HD21  ASN  31          HD21      ASN  31  37.412  10.120  14.518
  235   HD22  ASN  31          HD22      ASN  31  38.108  11.583  15.119
  236    H    LYS  32           H        LYS  32  36.753   6.314  17.650
  237    HA   LYS  32           HA       LYS  32  37.078   5.957  20.498
  238    HB2  LYS  32           HB2      LYS  32  35.016   6.973  21.176
  239    HB3  LYS  32           HB3      LYS  32  35.934   8.173  20.276
  240    HG2  LYS  32           HG2      LYS  32  34.567   7.782  18.311
  241    HG3  LYS  32           HG3      LYS  32  33.675   6.520  19.163
  242    HD2  LYS  32           HD2      LYS  32  33.275   8.468  20.902
  243    HD3  LYS  32           HD3      LYS  32  33.571   9.479  19.486
  244    HE2  LYS  32           HE2      LYS  32  31.788   7.313  18.836
  245    HE3  LYS  32           HE3      LYS  32  31.178   8.223  20.217
  246    HZ1  LYS  32           HZ1      LYS  32  30.567   8.982  17.852
  247    HZ2  LYS  32           HZ2      LYS  32  32.127   9.635  17.811
  248    HZ3  LYS  32           HZ3      LYS  32  31.024  10.152  18.985
  Start of MODEL   11
    1    H1   ARG   1           H        ARG   1   1.929   2.770   1.382
    2    HA   ARG   1           HA       ARG   1   2.341   1.187  -0.339
    3    HB2  ARG   1           HB2      ARG   1   1.748   3.556  -2.111
    4    HB3  ARG   1           HB3      ARG   1   2.425   2.053  -2.724
    5    HG2  ARG   1           HG2      ARG   1   0.468   0.957  -2.584
    6    HG3  ARG   1           HG3      ARG   1   0.001   1.766  -1.086
    7    HD2  ARG   1           HD2      ARG   1  -1.481   2.834  -2.394
    8    HD3  ARG   1           HD3      ARG   1  -0.096   3.828  -2.845
    9    HE   ARG   1           HE       ARG   1  -0.150   1.612  -4.538
   10   HH11  ARG   1          HH11      ARG   1  -2.060   4.437  -3.839
   11   HH12  ARG   1          HH12      ARG   1  -2.700   4.562  -5.445
   12   HH21  ARG   1          HH21      ARG   1  -0.985   1.766  -6.655
   13   HH22  ARG   1          HH22      ARG   1  -2.088   3.042  -7.046
   14    H    ARG   2           H        ARG   2   4.369   1.015   0.552
   15    HA   ARG   2           HA       ARG   2   6.488   2.382  -0.896
   16    HB2  ARG   2           HB2      ARG   2   5.738   3.060   1.820
   17    HB3  ARG   2           HB3      ARG   2   7.393   2.468   1.748
   18    HG2  ARG   2           HG2      ARG   2   8.130   4.253   0.561
   19    HG3  ARG   2           HG3      ARG   2   6.590   4.475  -0.272
   20    HD2  ARG   2           HD2      ARG   2   6.982   5.069   2.652
   21    HD3  ARG   2           HD3      ARG   2   7.227   6.271   1.387
   22    HE   ARG   2           HE       ARG   2   4.731   5.356   2.420
   23   HH11  ARG   2          HH11      ARG   2   6.313   6.560  -0.438
   24   HH12  ARG   2          HH12      ARG   2   4.861   7.209  -1.127
   25   HH21  ARG   2          HH21      ARG   2   2.813   6.206   1.524
   26   HH22  ARG   2          HH22      ARG   2   2.871   7.008  -0.009
   27    H    SER   3           H        SER   3   8.058   0.993  -1.382
   28    HA   SER   3           HA       SER   3   8.947  -1.049   0.410
   29    HB2  SER   3           HB2      SER   3   6.804  -1.710  -1.358
   30    HB3  SER   3           HB3      SER   3   8.249  -2.564  -1.900
   31    HG   SER   3           HG       SER   3   8.476  -3.289   0.305
   32    H    ARG   4           H        ARG   4   9.922   1.189  -1.276
   33    HA   ARG   4           HA       ARG   4  12.307  -0.067  -2.212
   34    HB2  ARG   4           HB2      ARG   4  10.581  -0.417  -4.084
   35    HB3  ARG   4           HB3      ARG   4  10.709   1.316  -4.354
   36    HG2  ARG   4           HG2      ARG   4  12.567   1.054  -5.529
   37    HG3  ARG   4           HG3      ARG   4  13.323   0.138  -4.224
   38    HD2  ARG   4           HD2      ARG   4  12.564  -1.902  -5.053
   39    HD3  ARG   4           HD3      ARG   4  11.304  -1.144  -6.026
   40    HE   ARG   4           HE       ARG   4  12.814  -0.945  -7.721
   41   HH11  ARG   4          HH11      ARG   4  14.549  -1.355  -4.731
   42   HH12  ARG   4          HH12      ARG   4  16.102  -1.450  -5.493
   43   HH21  ARG   4          HH21      ARG   4  14.853  -1.069  -8.737
   44   HH22  ARG   4          HH22      ARG   4  16.274  -1.286  -7.772
   45    H    LYS   5           H        LYS   5  11.780   1.911  -0.323
   46    HA   LYS   5           HA       LYS   5  13.549   3.969  -1.215
   47    HB2  LYS   5           HB2      LYS   5  11.495   4.833  -2.206
   48    HB3  LYS   5           HB3      LYS   5  10.669   4.705  -0.659
   49    HG2  LYS   5           HG2      LYS   5  11.225   6.980  -0.950
   50    HG3  LYS   5           HG3      LYS   5  12.345   6.338   0.255
   51    HD2  LYS   5           HD2      LYS   5  13.619   5.906  -2.177
   52    HD3  LYS   5           HD3      LYS   5  12.885   7.502  -2.344
   53    HE2  LYS   5           HE2      LYS   5  14.355   6.851   0.164
   54    HE3  LYS   5           HE3      LYS   5  15.282   7.201  -1.294
   55    HZ1  LYS   5           HZ1      LYS   5  14.278   9.334  -1.456
   56    HZ2  LYS   5           HZ2      LYS   5  14.827   9.163   0.135
   57    HZ3  LYS   5           HZ3      LYS   5  13.180   8.994  -0.214
   58    H    ASN   6           H        ASN   6  11.168   2.959   1.201
   59    HA   ASN   6           HA       ASN   6  12.096   4.471   3.356
   60    HB2  ASN   6           HB2      ASN   6   9.994   3.362   3.561
   61    HB3  ASN   6           HB3      ASN   6  10.718   1.787   3.247
   62   HD21  ASN   6          HD21      ASN   6   9.923   4.123   5.591
   63   HD22  ASN   6          HD22      ASN   6  10.565   3.299   6.968
   64    H    GLY   7           H        GLY   7  13.292   1.499   1.957
   65    HA2  GLY   7           HA2      GLY   7  15.242   0.339   2.310
   66    HA3  GLY   7           HA3      GLY   7  15.833   1.761   3.156
   67    H    ILE   8           H        ILE   8  14.317  -1.350   3.475
   68    HA   ILE   8           HA       ILE   8  13.680  -1.272   6.209
   69    HB   ILE   8           HB       ILE   8  14.569  -3.715   4.678
   70   HG12  ILE   8          HG12      ILE   8  11.803  -3.707   4.713
   71   HG13  ILE   8          HG13      ILE   8  12.201  -2.025   4.386
   72   HG21  ILE   8          HG21      ILE   8  14.334  -3.858   7.172
   73   HG22  ILE   8          HG22      ILE   8  12.622  -3.496   6.962
   74   HG23  ILE   8          HG23      ILE   8  13.306  -4.963   6.260
   75   HD11  ILE   8          HD11      ILE   8  13.054  -2.484   2.342
   76   HD12  ILE   8          HD12      ILE   8  13.628  -4.084   2.815
   77   HD13  ILE   8          HD13      ILE   8  11.918  -3.827   2.467
   78    H    GLY   9           H        GLY   9  16.569  -2.603   4.589
   79    HA2  GLY   9           HA2      GLY   9  18.092  -2.018   7.038
   80    HA3  GLY   9           HA3      GLY   9  18.171  -3.627   6.337
   81    H    TYR  10           H        TYR  10  17.878  -0.970   4.170
   82    HA   TYR  10           HA       TYR  10  20.410  -1.584   2.975
   83    HB2  TYR  10           HB2      TYR  10  18.239   0.412   2.383
   84    HB3  TYR  10           HB3      TYR  10  19.774   0.459   1.523
   85    HD1  TYR  10           HD2      TYR  10  17.036  -1.925   2.400
   86    HD2  TYR  10           HD1      TYR  10  20.001  -0.771  -0.425
   87    HE1  TYR  10           HE2      TYR  10  16.208  -3.637   0.841
   88    HE2  TYR  10           HE1      TYR  10  19.180  -2.480  -1.993
   89    HH   TYR  10           HH       TYR  10  17.063  -4.948  -1.077
   90    H    ALA  11           H        ALA  11  19.078   1.464   4.271
   91    HA   ALA  11           HA       ALA  11  21.518   2.846   4.312
   92    HB1  ALA  11           HB1      ALA  11  19.722   3.716   6.406
   93    HB2  ALA  11           HB2      ALA  11  20.238   4.553   4.941
   94    HB3  ALA  11           HB3      ALA  11  18.869   3.442   4.886
   95    H    ILE  12           H        ILE  12  19.827   1.070   6.886
   96    HA   ILE  12           HA       ILE  12  21.664   1.593   8.939
   97    HB   ILE  12           HB       ILE  12  20.042  -0.935   8.671
   98   HG12  ILE  12          HG12      ILE  12  18.683   0.898  10.311
   99   HG13  ILE  12          HG13      ILE  12  19.158   1.809   8.882
  100   HG21  ILE  12          HG21      ILE  12  21.661  -0.969  10.470
  101   HG22  ILE  12          HG22      ILE  12  21.073   0.584  11.062
  102   HG23  ILE  12          HG23      ILE  12  20.032  -0.838  11.132
  103   HD11  ILE  12          HD11      ILE  12  17.924   0.439   7.459
  104   HD12  ILE  12          HD12      ILE  12  17.791  -0.844   8.662
  105   HD13  ILE  12          HD13      ILE  12  16.887   0.656   8.868
  106    H    GLY  13           H        GLY  13  21.429  -1.180   6.716
  107    HA2  GLY  13           HA2      GLY  13  23.693  -2.542   7.732
  108    HA3  GLY  13           HA3      GLY  13  22.951  -2.809   6.162
  109    H    TYR  14           H        TYR  14  23.334  -0.002   5.356
  110    HA   TYR  14           HA       TYR  14  25.736  -0.237   3.984
  111    HB2  TYR  14           HB2      TYR  14  23.779   1.378   3.574
  112    HB3  TYR  14           HB3      TYR  14  24.560   2.428   4.752
  113    HD1  TYR  14           HD2      TYR  14  26.788   3.392   4.263
  114    HD2  TYR  14           HD1      TYR  14  24.641   1.144   1.357
  115    HE1  TYR  14           HE2      TYR  14  28.237   4.303   2.496
  116    HE2  TYR  14           HE1      TYR  14  26.084   2.048  -0.417
  117    HH   TYR  14           HH       TYR  14  27.640   4.508  -0.449
  118    H    ALA  15           H        ALA  15  25.057   1.688   6.904
  119    HA   ALA  15           HA       ALA  15  27.755   2.507   7.266
  120    HB1  ALA  15           HB1      ALA  15  26.906   3.079   9.610
  121    HB2  ALA  15           HB2      ALA  15  26.152   3.902   8.244
  122    HB3  ALA  15           HB3      ALA  15  25.326   2.555   9.027
  123    H    PHE  16           H        PHE  16  25.767  -0.041   8.728
  124    HA   PHE  16           HA       PHE  16  27.513  -0.968  10.654
  125    HB2  PHE  16           HB2      PHE  16  25.195  -2.001   9.240
  126    HB3  PHE  16           HB3      PHE  16  26.346  -3.279   9.617
  127    HD1  PHE  16           HD1      PHE  16  27.381  -2.876  12.140
  128    HD2  PHE  16           HD2      PHE  16  23.501  -1.803  10.757
  129    HE1  PHE  16           HE1      PHE  16  26.540  -2.953  14.451
  130    HE2  PHE  16           HE2      PHE  16  22.654  -1.878  13.066
  131    HZ   PHE  16           HZ       PHE  16  24.174  -2.453  14.916
  132    H    GLY  17           H        GLY  17  27.232  -2.151   7.298
  133    HA2  GLY  17           HA2      GLY  17  29.314  -3.986   7.352
  134    HA3  GLY  17           HA3      GLY  17  28.780  -3.130   5.913
  135    H    ALA  18           H        ALA  18  29.442  -0.500   7.000
  136    HA   ALA  18           HA       ALA  18  32.186  -0.427   6.183
  137    HB1  ALA  18           HB1      ALA  18  31.889   2.054   6.895
  138    HB2  ALA  18           HB2      ALA  18  31.021   1.443   5.486
  139    HB3  ALA  18           HB3      ALA  18  30.183   1.624   7.027
  140    H    VAL  19           H        VAL  19  30.465   0.057   9.243
  141    HA   VAL  19           HA       VAL  19  32.559   0.903  10.842
  142    HB   VAL  19           HB       VAL  19  30.247  -0.894  11.585
  143   HG11  VAL  19          HG11      VAL  19  30.735   0.129  13.901
  144   HG12  VAL  19          HG12      VAL  19  31.748  -1.202  13.338
  145   HG13  VAL  19          HG13      VAL  19  32.340   0.458  13.250
  146   HG21  VAL  19          HG21      VAL  19  29.956   1.691  12.642
  147   HG22  VAL  19          HG22      VAL  19  30.448   1.900  10.961
  148   HG23  VAL  19          HG23      VAL  19  29.018   0.943  11.348
  149    H    GLU  20           H        GLU  20  31.819  -2.301   9.653
  150    HA   GLU  20           HA       GLU  20  33.631  -3.667  11.402
  151    HB2  GLU  20           HB2      GLU  20  32.721  -4.782   8.773
  152    HB3  GLU  20           HB3      GLU  20  33.023  -5.621  10.288
  153    HG2  GLU  20           HG2      GLU  20  30.999  -4.114  11.093
  154    HG3  GLU  20           HG3      GLU  20  30.616  -4.160   9.373
  155    H    ARG  21           H        ARG  21  33.707  -2.858   7.932
  156    HA   ARG  21           HA       ARG  21  36.272  -3.812   7.397
  157    HB2  ARG  21           HB2      ARG  21  34.361  -1.995   6.098
  158    HB3  ARG  21           HB3      ARG  21  36.043  -1.688   5.688
  159    HG2  ARG  21           HG2      ARG  21  35.729  -4.458   5.513
  160    HG3  ARG  21           HG3      ARG  21  34.288  -3.763   4.767
  161    HD2  ARG  21           HD2      ARG  21  35.829  -3.930   3.015
  162    HD3  ARG  21           HD3      ARG  21  35.898  -2.237   3.501
  163    HE   ARG  21           HE       ARG  21  38.077  -2.549   4.106
  164   HH11  ARG  21          HH11      ARG  21  36.518  -5.654   3.883
  165   HH12  ARG  21          HH12      ARG  21  37.981  -6.551   4.121
  166   HH21  ARG  21          HH21      ARG  21  40.010  -3.719   4.421
  167   HH22  ARG  21          HH22      ARG  21  39.966  -5.450   4.428
  168    H    ALA  22           H        ALA  22  35.214  -0.859   8.910
  169    HA   ALA  22           HA       ALA  22  37.509   0.708   8.613
  170    HB1  ALA  22           HB1      ALA  22  36.095   2.103   9.607
  171    HB2  ALA  22           HB2      ALA  22  35.101   0.770  10.197
  172    HB3  ALA  22           HB3      ALA  22  36.491   1.317  11.135
  173    H    VAL  23           H        VAL  23  36.613  -1.515  11.248
  174    HA   VAL  23           HA       VAL  23  39.182  -1.213  12.527
  175    HB   VAL  23           HB       VAL  23  37.210  -3.374  13.197
  176   HG11  VAL  23          HG11      VAL  23  39.106  -3.611  14.504
  177   HG12  VAL  23          HG12      VAL  23  39.364  -1.870  14.627
  178   HG13  VAL  23          HG13      VAL  23  38.059  -2.635  15.534
  179   HG21  VAL  23          HG21      VAL  23  35.794  -1.483  13.069
  180   HG22  VAL  23          HG22      VAL  23  36.180  -1.688  14.778
  181   HG23  VAL  23          HG23      VAL  23  36.994  -0.441  13.834
  182    H    LEU  24           H        LEU  24  37.684  -3.399  10.280
  183    HA   LEU  24           HA       LEU  24  39.255  -5.672  10.598
  184    HB2  LEU  24           HB2      LEU  24  37.254  -4.923   8.921
  185    HB3  LEU  24           HB3      LEU  24  38.631  -4.943   7.821
  186    HG   LEU  24           HG       LEU  24  38.870  -7.346   9.134
  187   HD11  LEU  24          HD11      LEU  24  36.057  -7.492   8.343
  188   HD12  LEU  24          HD12      LEU  24  36.353  -6.555   9.807
  189   HD13  LEU  24          HD13      LEU  24  36.896  -8.230   9.708
  190   HD21  LEU  24          HD21      LEU  24  37.595  -6.592   6.518
  191   HD22  LEU  24          HD22      LEU  24  37.878  -8.266   6.994
  192   HD23  LEU  24          HD23      LEU  24  39.239  -7.158   6.811
  193    H    GLY  25           H        GLY  25  39.981  -2.614   9.075
  194    HA2  GLY  25           HA2      GLY  25  42.716  -3.602   8.573
  195    HA3  GLY  25           HA3      GLY  25  41.875  -2.625   7.379
  196    H    GLY  26           H        GLY  26  42.746  -2.531  10.838
  197    HA2  GLY  26           HA2      GLY  26  44.076  -0.850  11.832
  198    HA3  GLY  26           HA3      GLY  26  43.788   0.172  10.432
  199    H    SER  27           H        SER  27  42.153   1.626  10.472
  200    HA   SER  27           HA       SER  27  39.843   1.492  12.037
  201    HB2  SER  27           HB2      SER  27  42.216   2.400  13.465
  202    HB3  SER  27           HB3      SER  27  40.929   3.605  13.482
  203    HG   SER  27           HG       SER  27  39.576   2.142  14.437
  204    H    ARG  28           H        ARG  28  42.287   3.511  10.535
  205    HA   ARG  28           HA       ARG  28  42.161   5.354   9.209
  206    HB2  ARG  28           HB2      ARG  28  39.578   3.961   8.755
  207    HB3  ARG  28           HB3      ARG  28  39.693   5.623   8.192
  208    HG2  ARG  28           HG2      ARG  28  41.822   4.917   7.004
  209    HG3  ARG  28           HG3      ARG  28  41.335   3.257   7.353
  210    HD2  ARG  28           HD2      ARG  28  39.437   5.157   6.032
  211    HD3  ARG  28           HD3      ARG  28  40.673   4.327   5.088
  212    HE   ARG  28           HE       ARG  28  38.264   3.206   6.102
  213   HH11  ARG  28          HH11      ARG  28  41.593   2.472   5.398
  214   HH12  ARG  28          HH12      ARG  28  41.304   0.782   5.151
  215   HH21  ARG  28          HH21      ARG  28  37.871   0.983   5.779
  216   HH22  ARG  28          HH22      ARG  28  39.186  -0.064   5.367
  217    H    ASP  29           H        ASP  29  42.479   6.847  10.874
  218    HA   ASP  29           HA       ASP  29  40.557   8.850  11.150
  219    HB2  ASP  29           HB2      ASP  29  39.944   6.699  12.798
  220    HB3  ASP  29           HB3      ASP  29  40.761   7.832  13.872
  221    H    TYR  30           H        TYR  30  41.566  10.674  11.736
  222    HA   TYR  30           HA       TYR  30  43.700  10.734  13.642
  223    HB2  TYR  30           HB2      TYR  30  45.324  11.737  11.901
  224    HB3  TYR  30           HB3      TYR  30  45.142   9.987  11.957
  225    HD1  TYR  30           HD2      TYR  30  43.862   8.819  10.197
  226    HD2  TYR  30           HD1      TYR  30  44.632  12.998   9.986
  227    HE1  TYR  30           HE2      TYR  30  43.285   8.799   7.806
  228    HE2  TYR  30           HE1      TYR  30  44.056  12.990   7.595
  229    HH   TYR  30           HH       TYR  30  44.117  10.902   5.695
  230    H    ASN  31           H        ASN  31  41.659  12.115  14.129
  231    HA   ASN  31           HA       ASN  31  42.398  14.806  14.088
  232    HB2  ASN  31           HB2      ASN  31  40.396  15.586  12.626
  233    HB3  ASN  31           HB3      ASN  31  41.878  15.066  11.827
  234   HD21  ASN  31          HD21      ASN  31  41.665  13.661  10.247
  235   HD22  ASN  31          HD22      ASN  31  40.313  12.616   9.991
  236    H    LYS  32           H        LYS  32  41.814  13.995  16.273
  237    HA   LYS  32           HA       LYS  32  39.049  13.578  16.902
  238    HB2  LYS  32           HB2      LYS  32  41.585  13.803  18.466
  239    HB3  LYS  32           HB3      LYS  32  40.053  13.980  19.311
  240    HG2  LYS  32           HG2      LYS  32  39.360  11.776  18.411
  241    HG3  LYS  32           HG3      LYS  32  40.972  11.599  17.715
  242    HD2  LYS  32           HD2      LYS  32  41.978  11.670  19.903
  243    HD3  LYS  32           HD3      LYS  32  40.418  12.025  20.650
  244    HE2  LYS  32           HE2      LYS  32  40.962   9.517  19.076
  245    HE3  LYS  32           HE3      LYS  32  41.207   9.632  20.818
  246    HZ1  LYS  32           HZ1      LYS  32  38.660  10.619  20.237
  247    HZ2  LYS  32           HZ2      LYS  32  39.066   9.223  21.100
  248    HZ3  LYS  32           HZ3      LYS  32  38.824   9.143  19.428
  Start of MODEL   12
    1    H1   ARG   1           H        ARG   1   2.213  -1.081   0.013
    2    HA   ARG   1           HA       ARG   1   2.207   1.775  -0.670
    3    HB2  ARG   1           HB2      ARG   1   2.355   2.351   1.719
    4    HB3  ARG   1           HB3      ARG   1   0.846   1.536   1.333
    5    HG2  ARG   1           HG2      ARG   1   1.881  -0.586   2.160
    6    HG3  ARG   1           HG3      ARG   1   3.249   0.378   2.719
    7    HD2  ARG   1           HD2      ARG   1   1.487   1.782   3.956
    8    HD3  ARG   1           HD3      ARG   1   0.402   0.423   3.662
    9    HE   ARG   1           HE       ARG   1   2.491   0.557   5.595
   10   HH11  ARG   1          HH11      ARG   1   0.774  -1.610   3.480
   11   HH12  ARG   1          HH12      ARG   1   1.075  -3.010   4.455
   12   HH21  ARG   1          HH21      ARG   1   2.894  -1.278   6.888
   13   HH22  ARG   1          HH22      ARG   1   2.280  -2.820   6.394
   14    H    ARG   2           H        ARG   2   4.148   2.918   0.171
   15    HA   ARG   2           HA       ARG   2   6.499   1.388  -0.439
   16    HB2  ARG   2           HB2      ARG   2   5.959   4.259   0.241
   17    HB3  ARG   2           HB3      ARG   2   7.609   3.650   0.228
   18    HG2  ARG   2           HG2      ARG   2   7.649   3.398  -2.033
   19    HG3  ARG   2           HG3      ARG   2   5.913   3.098  -2.141
   20    HD2  ARG   2           HD2      ARG   2   6.771   5.786  -1.239
   21    HD3  ARG   2           HD3      ARG   2   7.042   5.384  -2.934
   22    HE   ARG   2           HE       ARG   2   4.519   5.880  -1.651
   23   HH11  ARG   2          HH11      ARG   2   6.114   4.314  -4.320
   24   HH12  ARG   2          HH12      ARG   2   4.703   4.298  -5.324
   25   HH21  ARG   2          HH21      ARG   2   2.654   5.866  -2.964
   26   HH22  ARG   2          HH22      ARG   2   2.735   5.182  -4.552
   27    H    SER   3           H        SER   3   6.788  -0.133   1.169
   28    HA   SER   3           HA       SER   3   8.123   0.772   3.528
   29    HB2  SER   3           HB2      SER   3   5.304   0.360   3.705
   30    HB3  SER   3           HB3      SER   3   6.105  -0.923   4.611
   31    HG   SER   3           HG       SER   3   5.639   1.183   5.709
   32    H    ARG   4           H        ARG   4   8.447  -1.013   1.180
   33    HA   ARG   4           HA       ARG   4   9.881  -3.087   2.441
   34    HB2  ARG   4           HB2      ARG   4   7.217  -3.677   2.388
   35    HB3  ARG   4           HB3      ARG   4   7.756  -4.391   0.874
   36    HG2  ARG   4           HG2      ARG   4   8.630  -6.124   1.938
   37    HG3  ARG   4           HG3      ARG   4   9.580  -5.066   2.983
   38    HD2  ARG   4           HD2      ARG   4   8.276  -6.137   4.536
   39    HD3  ARG   4           HD3      ARG   4   7.282  -4.721   4.196
   40    HE   ARG   4           HE       ARG   4   6.437  -6.638   2.426
   41   HH11  ARG   4          HH11      ARG   4   6.695  -6.368   5.887
   42   HH12  ARG   4          HH12      ARG   4   5.350  -7.414   6.200
   43   HH21  ARG   4          HH21      ARG   4   4.664  -8.017   2.824
   44   HH22  ARG   4          HH22      ARG   4   4.197  -8.352   4.457
   45    H    LYS   5           H        LYS   5  10.220  -1.088   0.398
   46    HA   LYS   5           HA       LYS   5  11.408  -2.767  -1.635
   47    HB2  LYS   5           HB2      LYS   5   9.112  -2.421  -2.481
   48    HB3  LYS   5           HB3      LYS   5   9.355  -0.681  -2.397
   49    HG2  LYS   5           HG2      LYS   5  10.088  -0.753  -4.482
   50    HG3  LYS   5           HG3      LYS   5  11.495  -1.648  -3.903
   51    HD2  LYS   5           HD2      LYS   5   9.797  -3.679  -4.053
   52    HD3  LYS   5           HD3      LYS   5   9.032  -2.630  -5.249
   53    HE2  LYS   5           HE2      LYS   5  11.313  -2.416  -6.322
   54    HE3  LYS   5           HE3      LYS   5  11.838  -3.720  -5.258
   55    HZ1  LYS   5           HZ1      LYS   5  11.197  -4.627  -7.363
   56    HZ2  LYS   5           HZ2      LYS   5   9.691  -3.859  -7.303
   57    HZ3  LYS   5           HZ3      LYS   5  10.052  -5.100  -6.211
   58    H    ASN   6           H        ASN   6  10.672   0.516  -0.536
   59    HA   ASN   6           HA       ASN   6  12.676   1.861  -1.955
   60    HB2  ASN   6           HB2      ASN   6  10.961   3.152  -0.916
   61    HB3  ASN   6           HB3      ASN   6  11.320   2.476   0.671
   62   HD21  ASN   6          HD21      ASN   6  12.171   4.818  -1.702
   63   HD22  ASN   6          HD22      ASN   6  13.354   5.657  -0.763
   64    H    GLY   7           H        GLY   7  12.817  -0.116   0.893
   65    HA2  GLY   7           HA2      GLY   7  14.872  -1.130   1.571
   66    HA3  GLY   7           HA3      GLY   7  15.730   0.273   0.951
   67    H    ILE   8           H        ILE   8  13.928  -1.048   3.621
   68    HA   ILE   8           HA       ILE   8  13.610   1.156   5.254
   69    HB   ILE   8           HB       ILE   8  14.366  -1.634   6.130
   70   HG12  ILE   8          HG12      ILE   8  11.646  -1.205   6.565
   71   HG13  ILE   8          HG13      ILE   8  11.945  -0.507   4.977
   72   HG21  ILE   8          HG21      ILE   8  14.659  -0.345   8.030
   73   HG22  ILE   8          HG22      ILE   8  13.365   0.771   7.596
   74   HG23  ILE   8          HG23      ILE   8  12.975  -0.849   8.173
   75   HD11  ILE   8          HD11      ILE   8  13.202  -2.787   4.593
   76   HD12  ILE   8          HD12      ILE   8  12.119  -3.326   5.878
   77   HD13  ILE   8          HD13      ILE   8  11.456  -2.647   4.391
   78    H    GLY   9           H        GLY   9  16.456  -0.950   4.940
   79    HA2  GLY   9           HA2      GLY   9  18.113   1.249   5.931
   80    HA3  GLY   9           HA3      GLY   9  18.182  -0.273   6.807
   81    H    TYR  10           H        TYR  10  17.711  -0.262   3.367
   82    HA   TYR  10           HA       TYR  10  20.101  -1.802   2.984
   83    HB2  TYR  10           HB2      TYR  10  17.912  -0.818   1.178
   84    HB3  TYR  10           HB3      TYR  10  19.374  -1.528   0.503
   85    HD1  TYR  10           HD2      TYR  10  16.988  -2.328   3.276
   86    HD2  TYR  10           HD1      TYR  10  19.183  -3.743  -0.083
   87    HE1  TYR  10           HE2      TYR  10  16.045  -4.575   3.613
   88    HE2  TYR  10           HE1      TYR  10  18.245  -5.993   0.244
   89    HH   TYR  10           HH       TYR  10  17.251  -7.270   2.443
   90    H    ALA  11           H        ALA  11  18.974   1.245   1.504
   91    HA   ALA  11           HA       ALA  11  21.469   1.930   0.395
   92    HB1  ALA  11           HB1      ALA  11  18.994   2.864   0.045
   93    HB2  ALA  11           HB2      ALA  11  19.612   4.115   1.124
   94    HB3  ALA  11           HB3      ALA  11  20.433   3.782  -0.401
   95    H    ILE  12           H        ILE  12  19.881   2.949   3.404
   96    HA   ILE  12           HA       ILE  12  21.845   4.760   4.253
   97    HB   ILE  12           HB       ILE  12  20.149   3.066   6.082
   98   HG12  ILE  12          HG12      ILE  12  18.933   5.571   5.705
   99   HG13  ILE  12          HG13      ILE  12  19.346   5.001   4.091
  100   HG21  ILE  12          HG21      ILE  12  21.862   4.341   7.215
  101   HG22  ILE  12          HG22      ILE  12  21.360   5.810   6.380
  102   HG23  ILE  12          HG23      ILE  12  20.280   5.046   7.546
  103   HD11  ILE  12          HD11      ILE  12  18.049   3.044   4.358
  104   HD12  ILE  12          HD12      ILE  12  17.843   3.335   6.085
  105   HD13  ILE  12          HD13      ILE  12  17.060   4.394   4.913
  106    H    GLY  13           H        GLY  13  21.424   1.306   5.009
  107    HA2  GLY  13           HA2      GLY  13  23.716   1.118   6.669
  108    HA3  GLY  13           HA3      GLY  13  22.868  -0.229   5.924
  109    H    TYR  14           H        TYR  14  23.263   0.896   3.215
  110    HA   TYR  14           HA       TYR  14  25.714  -0.405   2.624
  111    HB2  TYR  14           HB2      TYR  14  23.696  -0.195   1.098
  112    HB3  TYR  14           HB3      TYR  14  24.207   1.461   0.790
  113    HD1  TYR  14           HD2      TYR  14  25.130  -2.087   0.369
  114    HD2  TYR  14           HD1      TYR  14  26.026   1.938  -0.677
  115    HE1  TYR  14           HE2      TYR  14  26.638  -2.889  -1.401
  116    HE2  TYR  14           HE1      TYR  14  27.535   1.148  -2.451
  117    HH   TYR  14           HH       TYR  14  28.244  -2.285  -2.865
  118    H    ALA  15           H        ALA  15  24.734   3.015   2.441
  119    HA   ALA  15           HA       ALA  15  27.240   4.029   1.687
  120    HB1  ALA  15           HB1      ALA  15  24.844   5.252   3.009
  121    HB2  ALA  15           HB2      ALA  15  26.311   6.190   2.725
  122    HB3  ALA  15           HB3      ALA  15  25.442   5.476   1.365
  123    H    PHE  16           H        PHE  16  25.746   3.706   4.898
  124    HA   PHE  16           HA       PHE  16  27.715   4.892   6.433
  125    HB2  PHE  16           HB2      PHE  16  25.577   2.923   6.897
  126    HB3  PHE  16           HB3      PHE  16  26.904   2.845   8.052
  127    HD1  PHE  16           HD1      PHE  16  27.703   5.458   8.629
  128    HD2  PHE  16           HD2      PHE  16  23.783   4.077   7.712
  129    HE1  PHE  16           HE1      PHE  16  26.749   7.365   9.855
  130    HE2  PHE  16           HE2      PHE  16  22.822   5.983   8.936
  131    HZ   PHE  16           HZ       PHE  16  24.305   7.631  10.009
  132    H    GLY  17           H        GLY  17  27.454   1.456   5.519
  133    HA2  GLY  17           HA2      GLY  17  29.747   0.523   6.779
  134    HA3  GLY  17           HA3      GLY  17  29.057  -0.174   5.321
  135    H    ALA  18           H        ALA  18  29.425   2.210   3.713
  136    HA   ALA  18           HA       ALA  18  32.123   1.726   2.885
  137    HB1  ALA  18           HB1      ALA  18  30.299   2.166   1.287
  138    HB2  ALA  18           HB2      ALA  18  30.188   3.818   1.897
  139    HB3  ALA  18           HB3      ALA  18  31.657   3.274   1.086
  140    H    VAL  19           H        VAL  19  30.409   4.434   4.396
  141    HA   VAL  19           HA       VAL  19  32.407   6.349   4.357
  142    HB   VAL  19           HB       VAL  19  30.354   5.834   6.512
  143   HG11  VAL  19          HG11      VAL  19  31.809   7.219   7.623
  144   HG12  VAL  19          HG12      VAL  19  32.361   8.007   6.144
  145   HG13  VAL  19          HG13      VAL  19  30.780   8.403   6.818
  146   HG21  VAL  19          HG21      VAL  19  29.787   8.139   4.988
  147   HG22  VAL  19          HG22      VAL  19  30.170   6.850   3.847
  148   HG23  VAL  19          HG23      VAL  19  28.890   6.621   5.038
  149    H    GLU  20           H        GLU  20  32.051   3.542   6.414
  150    HA   GLU  20           HA       GLU  20  34.058   4.333   8.300
  151    HB2  GLU  20           HB2      GLU  20  33.238   1.483   7.861
  152    HB3  GLU  20           HB3      GLU  20  33.677   2.291   9.359
  153    HG2  GLU  20           HG2      GLU  20  31.468   3.685   8.668
  154    HG3  GLU  20           HG3      GLU  20  31.083   2.099   8.001
  155    H    ARG  21           H        ARG  21  33.952   2.097   5.545
  156    HA   ARG  21           HA       ARG  21  36.547   1.094   5.748
  157    HB2  ARG  21           HB2      ARG  21  34.473   1.236   3.670
  158    HB3  ARG  21           HB3      ARG  21  36.114   1.134   3.046
  159    HG2  ARG  21           HG2      ARG  21  35.254  -0.757   5.180
  160    HG3  ARG  21           HG3      ARG  21  34.727  -1.026   3.517
  161    HD2  ARG  21           HD2      ARG  21  37.200  -0.756   2.898
  162    HD3  ARG  21           HD3      ARG  21  37.518  -0.965   4.620
  163    HE   ARG  21           HE       ARG  21  35.882  -3.064   3.833
  164   HH11  ARG  21          HH11      ARG  21  39.074  -1.863   3.134
  165   HH12  ARG  21          HH12      ARG  21  39.722  -3.426   2.763
  166   HH21  ARG  21          HH21      ARG  21  36.724  -5.127   3.347
  167   HH22  ARG  21          HH22      ARG  21  38.385  -5.282   2.883
  168    H    ALA  22           H        ALA  22  35.359   4.113   4.453
  169    HA   ALA  22           HA       ALA  22  37.616   4.877   2.963
  170    HB1  ALA  22           HB1      ALA  22  35.488   6.500   4.340
  171    HB2  ALA  22           HB2      ALA  22  36.745   7.211   3.327
  172    HB3  ALA  22           HB3      ALA  22  35.593   6.070   2.633
  173    H    VAL  23           H        VAL  23  36.744   5.479   6.353
  174    HA   VAL  23           HA       VAL  23  39.210   6.884   6.877
  175    HB   VAL  23           HB       VAL  23  37.374   5.847   9.014
  176   HG11  VAL  23          HG11      VAL  23  38.968   8.398   8.792
  177   HG12  VAL  23          HG12      VAL  23  38.098   7.812  10.211
  178   HG13  VAL  23          HG13      VAL  23  39.512   6.939   9.620
  179   HG21  VAL  23          HG21      VAL  23  35.777   6.819   7.626
  180   HG22  VAL  23          HG22      VAL  23  36.212   8.131   8.722
  181   HG23  VAL  23          HG23      VAL  23  36.876   8.090   7.089
  182    H    LEU  24           H        LEU  24  38.023   3.635   7.121
  183    HA   LEU  24           HA       LEU  24  39.776   2.596   9.039
  184    HB2  LEU  24           HB2      LEU  24  37.750   1.599   7.530
  185    HB3  LEU  24           HB3      LEU  24  39.146   0.835   6.772
  186    HG   LEU  24           HG       LEU  24  39.361   0.542   9.605
  187   HD11  LEU  24          HD11      LEU  24  36.769   0.853   9.162
  188   HD12  LEU  24          HD12      LEU  24  37.384  -0.340  10.305
  189   HD13  LEU  24          HD13      LEU  24  36.901  -0.839   8.684
  190   HD21  LEU  24          HD21      LEU  24  40.243  -0.847   7.629
  191   HD22  LEU  24          HD22      LEU  24  38.657  -1.618   7.649
  192   HD23  LEU  24          HD23      LEU  24  39.696  -1.700   9.072
  193    H    GLY  25           H        GLY  25  40.279   3.490   5.726
  194    HA2  GLY  25           HA2      GLY  25  42.666   1.965   5.326
  195    HA3  GLY  25           HA3      GLY  25  42.098   3.292   4.323
  196    H    GLY  26           H        GLY  26  42.093   5.432   5.944
  197    HA2  GLY  26           HA2      GLY  26  44.948   5.695   6.609
  198    HA3  GLY  26           HA3      GLY  26  43.879   7.019   6.172
  199    H    SER  27           H        SER  27  43.404   4.420   8.540
  200    HA   SER  27           HA       SER  27  43.993   5.945  10.827
  201    HB2  SER  27           HB2      SER  27  41.679   6.856   9.702
  202    HB3  SER  27           HB3      SER  27  41.060   5.642  10.821
  203    HG   SER  27           HG       SER  27  41.446   6.988  12.373
  204    H    ARG  28           H        ARG  28  44.145   4.628  12.553
  205    HA   ARG  28           HA       ARG  28  42.551   2.213  12.730
  206    HB2  ARG  28           HB2      ARG  28  45.512   2.198  12.235
  207    HB3  ARG  28           HB3      ARG  28  44.753   0.897  13.143
  208    HG2  ARG  28           HG2      ARG  28  43.296   0.416  11.243
  209    HG3  ARG  28           HG3      ARG  28  44.055   1.724  10.332
  210    HD2  ARG  28           HD2      ARG  28  44.978  -0.452   9.708
  211    HD3  ARG  28           HD3      ARG  28  46.201   0.578  10.451
  212    HE   ARG  28           HE       ARG  28  44.982  -1.072  12.399
  213   HH11  ARG  28          HH11      ARG  28  47.241  -1.167   9.752
  214   HH12  ARG  28          HH12      ARG  28  48.126  -2.515  10.385
  215   HH21  ARG  28          HH21      ARG  28  46.139  -2.847  13.243
  216   HH22  ARG  28          HH22      ARG  28  47.498  -3.471  12.370
  217    H    ASP  29           H        ASP  29  42.978   4.710  14.247
  218    HA   ASP  29           HA       ASP  29  44.507   4.390  16.536
  219    HB2  ASP  29           HB2      ASP  29  41.982   5.900  15.953
  220    HB3  ASP  29           HB3      ASP  29  42.621   5.856  17.594
  221    H    TYR  30           H        TYR  30  44.503   2.537  17.666
  222    HA   TYR  30           HA       TYR  30  42.341   0.811  18.032
  223    HB2  TYR  30           HB2      TYR  30  44.903   1.221  19.556
  224    HB3  TYR  30           HB3      TYR  30  43.722   0.019  20.063
  225    HD1  TYR  30           HD1      TYR  30  45.676   1.077  17.066
  226    HD2  TYR  30           HD2      TYR  30  43.829  -2.123  19.176
  227    HE1  TYR  30           HE1      TYR  30  46.626  -0.524  15.458
  228    HE2  TYR  30           HE2      TYR  30  44.774  -3.732  17.574
  229    HH   TYR  30           HH       TYR  30  47.053  -3.551  15.911
  230    H    ASN  31           H        ASN  31  43.689   3.191  20.320
  231    HA   ASN  31           HA       ASN  31  41.741   2.842  22.309
  232    HB2  ASN  31           HB2      ASN  31  43.979   4.031  22.520
  233    HB3  ASN  31           HB3      ASN  31  43.209   5.423  21.763
  234   HD21  ASN  31          HD21      ASN  31  43.768   6.511  23.750
  235   HD22  ASN  31          HD22      ASN  31  42.728   6.363  25.122
  236    H    LYS  32           H        LYS  32  39.688   2.802  21.401
  237    HA   LYS  32           HA       LYS  32  37.691   3.638  20.706
  238    HB2  LYS  32           HB2      LYS  32  38.129   5.197  22.604
  239    HB3  LYS  32           HB3      LYS  32  38.866   6.317  21.467
  240    HG2  LYS  32           HG2      LYS  32  36.185   5.456  20.696
  241    HG3  LYS  32           HG3      LYS  32  36.248   6.327  22.230
  242    HD2  LYS  32           HD2      LYS  32  37.836   7.910  20.765
  243    HD3  LYS  32           HD3      LYS  32  36.812   7.267  19.479
  244    HE2  LYS  32           HE2      LYS  32  35.304   8.805  20.038
  245    HE3  LYS  32           HE3      LYS  32  35.051   7.911  21.536
  246    HZ1  LYS  32           HZ1      LYS  32  35.537  10.058  22.227
  247    HZ2  LYS  32           HZ2      LYS  32  36.753  10.278  21.071
  248    HZ3  LYS  32           HZ3      LYS  32  37.020   9.262  22.397
  Start of MODEL   13
    1    H1   ARG   1           H        ARG   1   5.892   3.069  -6.362
    2    HA   ARG   1           HA       ARG   1   4.722   3.635  -4.418
    3    HB2  ARG   1           HB2      ARG   1   2.766   2.255  -5.544
    4    HB3  ARG   1           HB3      ARG   1   3.263   1.030  -4.384
    5    HG2  ARG   1           HG2      ARG   1   1.660   2.107  -3.177
    6    HG3  ARG   1           HG3      ARG   1   3.084   3.027  -2.687
    7    HD2  ARG   1           HD2      ARG   1   1.477   3.893  -5.056
    8    HD3  ARG   1           HD3      ARG   1   0.924   4.276  -3.426
    9    HE   ARG   1           HE       ARG   1   3.539   5.081  -3.491
   10   HH11  ARG   1          HH11      ARG   1   0.675   5.786  -5.339
   11   HH12  ARG   1          HH12      ARG   1   1.163   7.404  -5.723
   12   HH21  ARG   1          HH21      ARG   1   4.193   7.208  -3.989
   13   HH22  ARG   1          HH22      ARG   1   3.165   8.211  -4.956
   14    H    ARG   2           H        ARG   2   6.610   3.467  -3.276
   15    HA   ARG   2           HA       ARG   2   6.906   1.064  -1.666
   16    HB2  ARG   2           HB2      ARG   2   8.680   1.730  -3.863
   17    HB3  ARG   2           HB3      ARG   2   9.547   1.672  -2.335
   18    HG2  ARG   2           HG2      ARG   2   9.129  -0.568  -2.024
   19    HG3  ARG   2           HG3      ARG   2   7.693  -0.549  -3.050
   20    HD2  ARG   2           HD2      ARG   2  10.194   0.147  -4.419
   21    HD3  ARG   2           HD3      ARG   2  10.130  -1.502  -3.797
   22    HE   ARG   2           HE       ARG   2   7.742  -0.940  -5.165
   23   HH11  ARG   2          HH11      ARG   2  11.130  -1.456  -5.778
   24   HH12  ARG   2          HH12      ARG   2  10.879  -2.083  -7.373
   25   HH21  ARG   2          HH21      ARG   2   7.399  -1.764  -7.264
   26   HH22  ARG   2          HH22      ARG   2   8.757  -2.257  -8.218
   27    H    SER   3           H        SER   3   7.365   1.575   0.378
   28    HA   SER   3           HA       SER   3   9.052   3.762   1.107
   29    HB2  SER   3           HB2      SER   3   7.253   4.972   2.416
   30    HB3  SER   3           HB3      SER   3   7.146   5.138   0.664
   31    HG   SER   3           HG       SER   3   5.135   4.584   1.163
   32    H    ARG   4           H        ARG   4  10.185   2.625   2.555
   33    HA   ARG   4           HA       ARG   4  10.716   1.336   4.356
   34    HB2  ARG   4           HB2      ARG   4   9.343   3.367   5.305
   35    HB3  ARG   4           HB3      ARG   4   8.144   2.131   5.661
   36    HG2  ARG   4           HG2      ARG   4  10.877   1.486   6.515
   37    HG3  ARG   4           HG3      ARG   4  10.135   2.864   7.333
   38    HD2  ARG   4           HD2      ARG   4   8.088   1.124   7.410
   39    HD3  ARG   4           HD3      ARG   4   9.441  -0.006   7.425
   40    HE   ARG   4           HE       ARG   4   9.898   0.638   9.568
   41   HH11  ARG   4          HH11      ARG   4   7.851   3.031   8.085
   42   HH12  ARG   4          HH12      ARG   4   7.618   3.928   9.549
   43   HH21  ARG   4          HH21      ARG   4   9.599   1.810  11.502
   44   HH22  ARG   4          HH22      ARG   4   8.613   3.233  11.492
   45    H    LYS   5           H        LYS   5   9.796  -0.264   2.484
   46    HA   LYS   5           HA       LYS   5   8.579  -2.399   3.956
   47    HB2  LYS   5           HB2      LYS   5   6.724  -0.774   2.938
   48    HB3  LYS   5           HB3      LYS   5   7.035  -1.735   1.498
   49    HG2  LYS   5           HG2      LYS   5   6.753  -3.706   3.290
   50    HG3  LYS   5           HG3      LYS   5   5.724  -2.480   4.033
   51    HD2  LYS   5           HD2      LYS   5   4.687  -2.227   1.694
   52    HD3  LYS   5           HD3      LYS   5   5.471  -3.767   1.333
   53    HE2  LYS   5           HE2      LYS   5   4.085  -3.889   3.856
   54    HE3  LYS   5           HE3      LYS   5   2.996  -3.364   2.573
   55    HZ1  LYS   5           HZ1      LYS   5   4.718  -5.608   1.924
   56    HZ2  LYS   5           HZ2      LYS   5   3.084  -5.356   1.565
   57    HZ3  LYS   5           HZ3      LYS   5   3.537  -5.915   3.096
   58    H    ASN   6           H        ASN   6  11.043  -1.969   2.580
   59    HA   ASN   6           HA       ASN   6  11.302  -4.385   1.203
   60    HB2  ASN   6           HB2      ASN   6  10.088  -2.501  -0.418
   61    HB3  ASN   6           HB3      ASN   6  11.783  -2.394  -0.884
   62   HD21  ASN   6          HD21      ASN   6   8.903  -4.188  -1.082
   63   HD22  ASN   6          HD22      ASN   6   9.512  -5.508  -2.015
   64    H    GLY   7           H        GLY   7  12.468  -1.105   1.671
   65    HA2  GLY   7           HA2      GLY   7  15.192  -2.195   1.910
   66    HA3  GLY   7           HA3      GLY   7  14.911  -0.783   0.901
   67    H    ILE   8           H        ILE   8  13.651  -1.696   4.101
   68    HA   ILE   8           HA       ILE   8  13.641   0.839   5.193
   69    HB   ILE   8           HB       ILE   8  14.205  -1.697   6.731
   70   HG12  ILE   8          HG12      ILE   8  11.483  -0.983   6.917
   71   HG13  ILE   8          HG13      ILE   8  11.892  -0.899   5.207
   72   HG21  ILE   8          HG21      ILE   8  13.251  -0.558   8.615
   73   HG22  ILE   8          HG22      ILE   8  14.530   0.449   7.939
   74   HG23  ILE   8          HG23      ILE   8  12.840   0.838   7.620
   75   HD11  ILE   8          HD11      ILE   8  11.877  -3.104   5.033
   76   HD12  ILE   8          HD12      ILE   8  12.972  -3.282   6.405
   77   HD13  ILE   8          HD13      ILE   8  11.233  -3.163   6.674
   78    H    GLY   9           H        GLY   9  16.285  -1.483   5.007
   79    HA2  GLY   9           HA2      GLY   9  18.144   0.673   5.693
   80    HA3  GLY   9           HA3      GLY   9  18.193  -0.785   6.673
   81    H    TYR  10           H        TYR  10  17.408  -1.111   3.332
   82    HA   TYR  10           HA       TYR  10  19.689  -2.772   2.879
   83    HB2  TYR  10           HB2      TYR  10  17.384  -1.840   1.201
   84    HB3  TYR  10           HB3      TYR  10  18.753  -2.645   0.443
   85    HD1  TYR  10           HD1      TYR  10  16.756  -3.202   3.561
   86    HD2  TYR  10           HD2      TYR  10  18.322  -4.852  -0.034
   87    HE1  TYR  10           HE1      TYR  10  15.790  -5.386   4.150
   88    HE2  TYR  10           HE2      TYR  10  17.360  -7.041   0.544
   89    HH   TYR  10           HH       TYR  10  16.665  -8.238   2.681
   90    H    ALA  11           H        ALA  11  18.588   0.214   1.261
   91    HA   ALA  11           HA       ALA  11  21.074   0.643  -0.050
   92    HB1  ALA  11           HB1      ALA  11  20.116   2.542  -0.967
   93    HB2  ALA  11           HB2      ALA  11  18.716   1.512  -0.665
   94    HB3  ALA  11           HB3      ALA  11  19.095   2.832   0.442
   95    H    ILE  12           H        ILE  12  19.556   2.077   2.820
   96    HA   ILE  12           HA       ILE  12  21.538   3.975   3.381
   97    HB   ILE  12           HB       ILE  12  19.890   2.533   5.455
   98   HG12  ILE  12          HG12      ILE  12  18.665   4.974   4.787
   99   HG13  ILE  12          HG13      ILE  12  19.037   4.197   3.252
  100   HG21  ILE  12          HG21      ILE  12  20.069   4.650   6.674
  101   HG22  ILE  12          HG22      ILE  12  21.654   3.954   6.342
  102   HG23  ILE  12          HG23      ILE  12  21.067   5.308   5.377
  103   HD11  ILE  12          HD11      ILE  12  17.698   2.351   3.734
  104   HD12  ILE  12          HD12      ILE  12  17.640   2.730   5.456
  105   HD13  ILE  12          HD13      ILE  12  16.766   3.736   4.301
  106    H    GLY  13           H        GLY  13  21.147   0.645   4.577
  107    HA2  GLY  13           HA2      GLY  13  23.474   0.669   6.197
  108    HA3  GLY  13           HA3      GLY  13  22.618  -0.763   5.643
  109    H    TYR  14           H        TYR  14  22.952   0.025   2.807
  110    HA   TYR  14           HA       TYR  14  25.222  -1.447   2.193
  111    HB2  TYR  14           HB2      TYR  14  23.257  -0.759   0.679
  112    HB3  TYR  14           HB3      TYR  14  24.168   0.718   0.385
  113    HD1  TYR  14           HD2      TYR  14  26.311   0.637  -0.818
  114    HD2  TYR  14           HD1      TYR  14  23.944  -2.857  -0.275
  115    HE1  TYR  14           HE2      TYR  14  27.601  -0.503  -2.575
  116    HE2  TYR  14           HE1      TYR  14  25.228  -4.007  -2.030
  117    HH   TYR  14           HH       TYR  14  27.589  -3.773  -3.034
  118    H    ALA  15           H        ALA  15  24.828   2.093   2.147
  119    HA   ALA  15           HA       ALA  15  27.571   2.602   1.574
  120    HB1  ALA  15           HB1      ALA  15  25.294   4.330   2.492
  121    HB2  ALA  15           HB2      ALA  15  26.930   4.964   2.310
  122    HB3  ALA  15           HB3      ALA  15  26.086   4.289   0.916
  123    H    PHE  16           H        PHE  16  25.634   2.604   4.537
  124    HA   PHE  16           HA       PHE  16  27.482   3.647   6.314
  125    HB2  PHE  16           HB2      PHE  16  25.051   2.064   6.483
  126    HB3  PHE  16           HB3      PHE  16  26.194   1.637   7.752
  127    HD1  PHE  16           HD1      PHE  16  27.406   3.934   8.699
  128    HD2  PHE  16           HD2      PHE  16  23.459   3.557   7.150
  129    HE1  PHE  16           HE1      PHE  16  26.715   5.912   9.988
  130    HE2  PHE  16           HE2      PHE  16  22.762   5.536   8.436
  131    HZ   PHE  16           HZ       PHE  16  24.391   6.716   9.857
  132    H    GLY  17           H        GLY  17  27.013   0.241   5.388
  133    HA2  GLY  17           HA2      GLY  17  29.012  -0.863   6.999
  134    HA3  GLY  17           HA3      GLY  17  28.427  -1.563   5.497
  135    H    ALA  18           H        ALA  18  29.235   0.724   3.878
  136    HA   ALA  18           HA       ALA  18  31.933  -0.091   3.372
  137    HB1  ALA  18           HB1      ALA  18  30.743   0.405   1.438
  138    HB2  ALA  18           HB2      ALA  18  30.074   1.892   2.112
  139    HB3  ALA  18           HB3      ALA  18  31.775   1.819   1.650
  140    H    VAL  19           H        VAL  19  30.390   2.841   4.628
  141    HA   VAL  19           HA       VAL  19  32.588   4.515   4.778
  142    HB   VAL  19           HB       VAL  19  30.266   4.304   6.697
  143   HG11  VAL  19          HG11      VAL  19  30.936   6.804   7.028
  144   HG12  VAL  19          HG12      VAL  19  31.775   5.539   7.929
  145   HG13  VAL  19          HG13      VAL  19  32.523   6.248   6.497
  146   HG21  VAL  19          HG21      VAL  19  30.405   5.142   4.017
  147   HG22  VAL  19          HG22      VAL  19  29.052   5.316   5.135
  148   HG23  VAL  19          HG23      VAL  19  30.248   6.604   4.991
  149    H    GLU  20           H        GLU  20  31.720   1.804   6.794
  150    HA   GLU  20           HA       GLU  20  33.551   2.425   8.908
  151    HB2  GLU  20           HB2      GLU  20  32.525  -0.340   8.375
  152    HB3  GLU  20           HB3      GLU  20  32.855   0.441   9.914
  153    HG2  GLU  20           HG2      GLU  20  30.888   2.029   8.978
  154    HG3  GLU  20           HG3      GLU  20  30.439   0.491   8.244
  155    H    ARG  21           H        ARG  21  33.572   0.203   6.144
  156    HA   ARG  21           HA       ARG  21  36.013  -1.049   6.662
  157    HB2  ARG  21           HB2      ARG  21  34.239  -0.713   4.338
  158    HB3  ARG  21           HB3      ARG  21  35.926  -1.001   3.933
  159    HG2  ARG  21           HG2      ARG  21  34.769  -2.774   5.983
  160    HG3  ARG  21           HG3      ARG  21  34.139  -2.955   4.344
  161    HD2  ARG  21           HD2      ARG  21  36.821  -2.805   3.891
  162    HD3  ARG  21           HD3      ARG  21  36.771  -3.634   5.446
  163    HE   ARG  21           HE       ARG  21  34.962  -4.999   3.985
  164   HH11  ARG  21          HH11      ARG  21  38.260  -4.052   3.394
  165   HH12  ARG  21          HH12      ARG  21  38.610  -5.420   2.390
  166   HH21  ARG  21          HH21      ARG  21  35.411  -6.804   2.664
  167   HH22  ARG  21          HH22      ARG  21  36.988  -6.984   1.975
  168    H    ALA  22           H        ALA  22  35.283   2.051   5.215
  169    HA   ALA  22           HA       ALA  22  37.710   2.620   3.975
  170    HB1  ALA  22           HB1      ALA  22  36.598   4.472   3.481
  171    HB2  ALA  22           HB2      ALA  22  35.347   4.034   4.645
  172    HB3  ALA  22           HB3      ALA  22  36.726   5.007   5.157
  173    H    VAL  23           H        VAL  23  36.689   3.317   7.314
  174    HA   VAL  23           HA       VAL  23  39.297   4.311   8.035
  175    HB   VAL  23           HB       VAL  23  37.174   3.561  10.020
  176   HG11  VAL  23          HG11      VAL  23  38.507   6.083  10.402
  177   HG12  VAL  23          HG12      VAL  23  38.465   4.667  11.453
  178   HG13  VAL  23          HG13      VAL  23  39.682   4.787  10.182
  179   HG21  VAL  23          HG21      VAL  23  35.891   4.768   8.458
  180   HG22  VAL  23          HG22      VAL  23  36.333   5.941   9.698
  181   HG23  VAL  23          HG23      VAL  23  37.191   5.921   8.157
  182    H    LEU  24           H        LEU  24  37.591   1.287   8.185
  183    HA   LEU  24           HA       LEU  24  39.016  -0.019  10.196
  184    HB2  LEU  24           HB2      LEU  24  37.000  -0.689   8.499
  185    HB3  LEU  24           HB3      LEU  24  38.326  -1.657   7.859
  186    HG   LEU  24           HG       LEU  24  38.251  -1.988  10.689
  187   HD11  LEU  24          HD11      LEU  24  35.834  -1.225  10.229
  188   HD12  LEU  24          HD12      LEU  24  36.093  -2.701  11.159
  189   HD13  LEU  24          HD13      LEU  24  35.647  -2.800   9.456
  190   HD21  LEU  24          HD21      LEU  24  39.182  -3.596   9.151
  191   HD22  LEU  24          HD22      LEU  24  37.613  -3.817   8.377
  192   HD23  LEU  24          HD23      LEU  24  37.856  -4.342  10.043
  193    H    GLY  25           H        GLY  25  39.885   0.731   6.906
  194    HA2  GLY  25           HA2      GLY  25  42.505  -0.545   7.383
  195    HA3  GLY  25           HA3      GLY  25  41.688  -0.691   5.834
  196    H    GLY  26           H        GLY  26  41.651   2.252   7.734
  197    HA2  GLY  26           HA2      GLY  26  43.089   3.584   5.546
  198    HA3  GLY  26           HA3      GLY  26  42.055   4.374   6.728
  199    H    SER  27           H        SER  27  42.903   4.058   9.076
  200    HA   SER  27           HA       SER  27  45.674   3.750   9.515
  201    HB2  SER  27           HB2      SER  27  46.079   5.780   8.380
  202    HB3  SER  27           HB3      SER  27  44.662   6.557   9.086
  203    HG   SER  27           HG       SER  27  46.240   7.334  10.318
  204    H    ARG  28           H        ARG  28  46.291   4.205  11.723
  205    HA   ARG  28           HA       ARG  28  44.248   5.019  13.595
  206    HB2  ARG  28           HB2      ARG  28  44.466   2.291  12.949
  207    HB3  ARG  28           HB3      ARG  28  45.244   2.473  14.516
  208    HG2  ARG  28           HG2      ARG  28  42.539   3.644  14.001
  209    HG3  ARG  28           HG3      ARG  28  42.733   1.944  14.435
  210    HD2  ARG  28           HD2      ARG  28  44.312   3.227  16.278
  211    HD3  ARG  28           HD3      ARG  28  42.960   4.343  16.082
  212    HE   ARG  28           HE       ARG  28  42.904   1.756  17.326
  213   HH11  ARG  28          HH11      ARG  28  41.018   4.182  15.691
  214   HH12  ARG  28          HH12      ARG  28  39.517   3.674  16.393
  215   HH21  ARG  28          HH21      ARG  28  40.935   1.078  18.257
  216   HH22  ARG  28          HH22      ARG  28  39.471   1.910  17.853
  217    H    ASP  29           H        ASP  29  45.477   6.494  14.602
  218    HA   ASP  29           HA       ASP  29  47.412   5.759  16.472
  219    HB2  ASP  29           HB2      ASP  29  48.521   5.700  13.956
  220    HB3  ASP  29           HB3      ASP  29  48.933   7.321  14.510
  221    H    TYR  30           H        TYR  30  45.128   7.442  16.255
  222    HA   TYR  30           HA       TYR  30  46.167   9.793  17.520
  223    HB2  TYR  30           HB2      TYR  30  44.875  11.320  15.883
  224    HB3  TYR  30           HB3      TYR  30  46.456  10.723  15.392
  225    HD1  TYR  30           HD1      TYR  30  42.917   9.507  15.234
  226    HD2  TYR  30           HD2      TYR  30  46.601  10.091  13.187
  227    HE1  TYR  30           HE1      TYR  30  41.921   8.574  13.189
  228    HE2  TYR  30           HE2      TYR  30  45.614   9.161  11.135
  229    HH   TYR  30           HH       TYR  30  43.106   8.972  10.219
  230    H    ASN  31           H        ASN  31  44.314   7.537  17.991
  231    HA   ASN  31           HA       ASN  31  42.368   8.861  19.493
  232    HB2  ASN  31           HB2      ASN  31  41.689   8.794  16.769
  233    HB3  ASN  31           HB3      ASN  31  40.711   7.539  17.526
  234   HD21  ASN  31          HD21      ASN  31  39.810   8.330  19.747
  235   HD22  ASN  31          HD22      ASN  31  39.030   9.871  19.693
  236    H    LYS  32           H        LYS  32  41.838   7.491  21.059
  237    HA   LYS  32           HA       LYS  32  41.509   5.576  22.241
  238    HB2  LYS  32           HB2      LYS  32  39.791   5.264  20.395
  239    HB3  LYS  32           HB3      LYS  32  40.965   4.225  19.598
  240    HG2  LYS  32           HG2      LYS  32  39.987   2.572  20.728
  241    HG3  LYS  32           HG3      LYS  32  40.897   3.173  22.116
  242    HD2  LYS  32           HD2      LYS  32  39.065   4.192  23.048
  243    HD3  LYS  32           HD3      LYS  32  38.265   4.420  21.491
  244    HE2  LYS  32           HE2      LYS  32  36.972   2.729  22.267
  245    HE3  LYS  32           HE3      LYS  32  38.266   1.750  21.579
  246    HZ1  LYS  32           HZ1      LYS  32  39.174   1.346  23.660
  247    HZ2  LYS  32           HZ2      LYS  32  37.511   1.253  23.952
  248    HZ3  LYS  32           HZ3      LYS  32  38.370   2.643  24.390
  Start of MODEL   14
    1    H1   ARG   1           H        ARG   1   6.895   1.904  -6.533
    2    HA   ARG   1           HA       ARG   1   7.032   3.614  -4.161
    3    HB2  ARG   1           HB2      ARG   1   5.057   1.375  -4.596
    4    HB3  ARG   1           HB3      ARG   1   5.466   1.986  -2.998
    5    HG2  ARG   1           HG2      ARG   1   4.535   4.100  -3.455
    6    HG3  ARG   1           HG3      ARG   1   4.439   3.766  -5.185
    7    HD2  ARG   1           HD2      ARG   1   2.285   3.305  -4.701
    8    HD3  ARG   1           HD3      ARG   1   2.947   1.740  -4.230
    9    HE   ARG   1           HE       ARG   1   3.112   3.228  -1.962
   10   HH11  ARG   1          HH11      ARG   1   0.538   2.437  -4.168
   11   HH12  ARG   1          HH12      ARG   1  -0.698   2.508  -2.956
   12   HH21  ARG   1          HH21      ARG   1   1.494   3.326  -0.357
   13   HH22  ARG   1          HH22      ARG   1  -0.154   3.015  -0.789
   14    H    ARG   2           H        ARG   2   9.017   2.075  -5.603
   15    HA   ARG   2           HA       ARG   2   9.537  -0.355  -4.200
   16    HB2  ARG   2           HB2      ARG   2  10.527   0.896  -6.491
   17    HB3  ARG   2           HB3      ARG   2  11.891   0.858  -5.382
   18    HG2  ARG   2           HG2      ARG   2  12.106  -1.379  -5.508
   19    HG3  ARG   2           HG3      ARG   2  10.365  -1.648  -5.612
   20    HD2  ARG   2           HD2      ARG   2  10.532  -1.919  -7.809
   21    HD3  ARG   2           HD3      ARG   2  11.192  -0.292  -7.965
   22    HE   ARG   2           HE       ARG   2  13.287  -1.195  -8.198
   23   HH11  ARG   2          HH11      ARG   2  11.099  -3.634  -7.024
   24   HH12  ARG   2          HH12      ARG   2  12.231  -4.931  -7.223
   25   HH21  ARG   2          HH21      ARG   2  14.786  -2.893  -8.465
   26   HH22  ARG   2          HH22      ARG   2  14.328  -4.508  -8.042
   27    H    SER   3           H        SER   3  11.820  -0.597  -3.162
   28    HA   SER   3           HA       SER   3  13.202  -0.157  -1.408
   29    HB2  SER   3           HB2      SER   3  12.957   2.329  -2.798
   30    HB3  SER   3           HB3      SER   3  12.975   2.659  -1.066
   31    HG   SER   3           HG       SER   3  14.957   1.599  -2.701
   32    H    ARG   4           H        ARG   4  10.231  -0.433  -1.131
   33    HA   ARG   4           HA       ARG   4  10.114   0.081   1.689
   34    HB2  ARG   4           HB2      ARG   4   9.368   2.225   0.281
   35    HB3  ARG   4           HB3      ARG   4   7.846   1.345   0.239
   36    HG2  ARG   4           HG2      ARG   4   7.374   2.167   2.236
   37    HG3  ARG   4           HG3      ARG   4   8.721   1.238   2.898
   38    HD2  ARG   4           HD2      ARG   4   9.564   3.224   3.489
   39    HD3  ARG   4           HD3      ARG   4   9.989   3.391   1.786
   40    HE   ARG   4           HE       ARG   4   8.370   4.997   1.574
   41   HH11  ARG   4          HH11      ARG   4   7.875   3.256   4.548
   42   HH12  ARG   4          HH12      ARG   4   6.642   4.329   5.123
   43   HH21  ARG   4          HH21      ARG   4   6.748   6.416   2.320
   44   HH22  ARG   4          HH22      ARG   4   6.001   6.126   3.854
   45    H    LYS   5           H        LYS   5   9.961  -2.199  -0.059
   46    HA   LYS   5           HA       LYS   5   7.662  -3.464   1.066
   47    HB2  LYS   5           HB2      LYS   5   7.115  -2.142  -1.265
   48    HB3  LYS   5           HB3      LYS   5   7.526  -3.746  -1.859
   49    HG2  LYS   5           HG2      LYS   5   5.853  -4.338   0.205
   50    HG3  LYS   5           HG3      LYS   5   5.169  -2.825  -0.394
   51    HD2  LYS   5           HD2      LYS   5   5.732  -4.263  -2.694
   52    HD3  LYS   5           HD3      LYS   5   5.126  -5.481  -1.569
   53    HE2  LYS   5           HE2      LYS   5   3.098  -4.275  -1.239
   54    HE3  LYS   5           HE3      LYS   5   3.723  -2.870  -2.102
   55    HZ1  LYS   5           HZ1      LYS   5   3.684  -5.358  -3.597
   56    HZ2  LYS   5           HZ2      LYS   5   3.289  -3.790  -4.092
   57    HZ3  LYS   5           HZ3      LYS   5   2.167  -4.710  -3.222
   58    H    ASN   6           H        ASN   6  10.512  -3.839   1.029
   59    HA   ASN   6           HA       ASN   6  10.655  -6.612   0.724
   60    HB2  ASN   6           HB2      ASN   6  10.936  -5.242  -1.739
   61    HB3  ASN   6           HB3      ASN   6  12.537  -5.826  -1.295
   62   HD21  ASN   6          HD21      ASN   6  12.717  -8.114  -0.742
   63   HD22  ASN   6          HD22      ASN   6  11.701  -9.247  -1.560
   64    H    GLY   7           H        GLY   7  12.363  -3.542   0.728
   65    HA2  GLY   7           HA2      GLY   7  14.587  -4.831   2.181
   66    HA3  GLY   7           HA3      GLY   7  14.730  -3.343   1.257
   67    H    ILE   8           H        ILE   8  13.259  -4.761   4.143
   68    HA   ILE   8           HA       ILE   8  12.256  -2.447   5.311
   69    HB   ILE   8           HB       ILE   8  13.486  -4.799   6.753
   70   HG12  ILE   8          HG12      ILE   8  10.668  -4.916   6.791
   71   HG13  ILE   8          HG13      ILE   8  11.120  -4.576   5.124
   72   HG21  ILE   8          HG21      ILE   8  11.861  -4.124   8.545
   73   HG22  ILE   8          HG22      ILE   8  13.198  -3.007   8.285
   74   HG23  ILE   8          HG23      ILE   8  11.599  -2.631   7.645
   75   HD11  ILE   8          HD11      ILE   8  10.882  -7.004   5.770
   76   HD12  ILE   8          HD12      ILE   8  12.381  -6.550   4.959
   77   HD13  ILE   8          HD13      ILE   8  12.363  -6.800   6.705
   78    H    GLY   9           H        GLY   9  15.501  -3.870   5.569
   79    HA2  GLY   9           HA2      GLY   9  16.470  -1.239   6.474
   80    HA3  GLY   9           HA3      GLY   9  16.935  -2.692   7.347
   81    H    TYR  10           H        TYR  10  16.572  -2.833   3.907
   82    HA   TYR  10           HA       TYR  10  19.315  -3.608   3.594
   83    HB2  TYR  10           HB2      TYR  10  16.981  -3.311   1.726
   84    HB3  TYR  10           HB3      TYR  10  18.602  -3.577   1.095
   85    HD1  TYR  10           HD1      TYR  10  16.362  -5.006   3.732
   86    HD2  TYR  10           HD2      TYR  10  19.183  -5.757   0.637
   87    HE1  TYR  10           HE1      TYR  10  16.092  -7.426   4.082
   88    HE2  TYR  10           HE2      TYR  10  18.921  -8.179   0.977
   89    HH   TYR  10           HH       TYR  10  18.000  -9.773   2.226
   90    H    ALA  11           H        ALA  11  17.386  -1.027   2.056
   91    HA   ALA  11           HA       ALA  11  19.570   0.345   0.956
   92    HB1  ALA  11           HB1      ALA  11  17.936   1.502   0.003
   93    HB2  ALA  11           HB2      ALA  11  16.771   0.651   1.018
   94    HB3  ALA  11           HB3      ALA  11  17.465   2.178   1.563
   95    H    ILE  12           H        ILE  12  17.792   0.892   3.985
   96    HA   ILE  12           HA       ILE  12  19.221   3.153   4.828
   97    HB   ILE  12           HB       ILE  12  18.029   1.077   6.662
   98   HG12  ILE  12          HG12      ILE  12  16.202   3.180   6.289
   99   HG13  ILE  12          HG13      ILE  12  16.744   2.737   4.674
  100   HG21  ILE  12          HG21      ILE  12  18.529   4.035   6.948
  101   HG22  ILE  12          HG22      ILE  12  17.623   3.059   8.102
  102   HG23  ILE  12          HG23      ILE  12  19.332   2.729   7.820
  103   HD11  ILE  12          HD11      ILE  12  14.708   1.545   5.445
  104   HD12  ILE  12          HD12      ILE  12  16.038   0.481   4.987
  105   HD13  ILE  12          HD13      ILE  12  15.689   0.773   6.691
  106    H    GLY  13           H        GLY  13  19.705  -0.290   5.601
  107    HA2  GLY  13           HA2      GLY  13  21.967   0.113   7.253
  108    HA3  GLY  13           HA3      GLY  13  21.508  -1.402   6.490
  109    H    TYR  14           H        TYR  14  21.602  -0.219   3.792
  110    HA   TYR  14           HA       TYR  14  24.184  -0.931   3.065
  111    HB2  TYR  14           HB2      TYR  14  22.094  -0.637   1.593
  112    HB3  TYR  14           HB3      TYR  14  22.555   1.059   1.498
  113    HD1  TYR  14           HD2      TYR  14  24.665   1.707   0.384
  114    HD2  TYR  14           HD1      TYR  14  23.288  -2.319   0.378
  115    HE1  TYR  14           HE2      TYR  14  26.205   1.189  -1.463
  116    HE2  TYR  14           HE1      TYR  14  24.825  -2.848  -1.468
  117    HH   TYR  14           HH       TYR  14  27.343  -0.815  -2.402
  118    H    ALA  15           H        ALA  15  22.831   2.345   3.422
  119    HA   ALA  15           HA       ALA  15  25.318   3.655   2.971
  120    HB1  ALA  15           HB1      ALA  15  22.667   4.560   4.048
  121    HB2  ALA  15           HB2      ALA  15  24.062   5.639   3.984
  122    HB3  ALA  15           HB3      ALA  15  23.419   4.938   2.498
  123    H    PHE  16           H        PHE  16  23.523   2.716   5.870
  124    HA   PHE  16           HA       PHE  16  25.049   4.015   7.793
  125    HB2  PHE  16           HB2      PHE  16  23.141   1.814   7.731
  126    HB3  PHE  16           HB3      PHE  16  24.365   1.598   8.978
  127    HD1  PHE  16           HD1      PHE  16  24.806   3.670  10.496
  128    HD2  PHE  16           HD2      PHE  16  21.279   3.090   8.185
  129    HE1  PHE  16           HE1      PHE  16  23.594   5.233  11.960
  130    HE2  PHE  16           HE2      PHE  16  20.062   4.653   9.644
  131    HZ   PHE  16           HZ       PHE  16  21.219   5.728  11.534
  132    H    GLY  17           H        GLY  17  25.492   0.761   6.423
  133    HA2  GLY  17           HA2      GLY  17  27.697  -0.026   7.923
  134    HA3  GLY  17           HA3      GLY  17  27.351  -0.577   6.290
  135    H    ALA  18           H        ALA  18  27.543   2.079   5.118
  136    HA   ALA  18           HA       ALA  18  30.372   2.111   4.674
  137    HB1  ALA  18           HB1      ALA  18  28.930   2.558   2.819
  138    HB2  ALA  18           HB2      ALA  18  28.164   3.899   3.673
  139    HB3  ALA  18           HB3      ALA  18  29.848   4.024   3.165
  140    H    VAL  19           H        VAL  19  28.057   4.270   6.266
  141    HA   VAL  19           HA       VAL  19  29.712   6.416   6.830
  142    HB   VAL  19           HB       VAL  19  27.489   5.274   8.527
  143   HG11  VAL  19          HG11      VAL  19  28.417   6.647  10.075
  144   HG12  VAL  19          HG12      VAL  19  29.227   7.646   8.866
  145   HG13  VAL  19          HG13      VAL  19  27.505   7.863   9.181
  146   HG21  VAL  19          HG21      VAL  19  26.035   6.320   7.187
  147   HG22  VAL  19          HG22      VAL  19  27.036   7.769   7.083
  148   HG23  VAL  19          HG23      VAL  19  27.359   6.396   6.024
  149    H    GLU  20           H        GLU  20  29.584   3.264   8.312
  150    HA   GLU  20           HA       GLU  20  31.108   3.974  10.632
  151    HB2  GLU  20           HB2      GLU  20  30.919   1.175   9.575
  152    HB3  GLU  20           HB3      GLU  20  30.973   1.729  11.243
  153    HG2  GLU  20           HG2      GLU  20  28.667   2.854  10.485
  154    HG3  GLU  20           HG3      GLU  20  28.684   1.462   9.404
  155    H    ARG  21           H        ARG  21  31.832   2.327   7.570
  156    HA   ARG  21           HA       ARG  21  34.516   1.747   8.063
  157    HB2  ARG  21           HB2      ARG  21  32.769   1.917   5.711
  158    HB3  ARG  21           HB3      ARG  21  34.464   2.232   5.364
  159    HG2  ARG  21           HG2      ARG  21  35.024   0.088   5.602
  160    HG3  ARG  21           HG3      ARG  21  34.056  -0.096   7.066
  161    HD2  ARG  21           HD2      ARG  21  32.032  -0.091   5.495
  162    HD3  ARG  21           HD3      ARG  21  33.199  -0.356   4.201
  163    HE   ARG  21           HE       ARG  21  32.265  -2.282   6.074
  164   HH11  ARG  21          HH11      ARG  21  35.055  -1.321   4.227
  165   HH12  ARG  21          HH12      ARG  21  35.731  -2.915   4.173
  166   HH21  ARG  21          HH21      ARG  21  33.144  -4.386   6.010
  167   HH22  ARG  21          HH22      ARG  21  34.643  -4.658   5.187
  168    H    ALA  22           H        ALA  22  32.957   4.727   7.178
  169    HA   ALA  22           HA       ALA  22  35.145   6.147   6.159
  170    HB1  ALA  22           HB1      ALA  22  32.579   6.735   6.365
  171    HB2  ALA  22           HB2      ALA  22  33.131   7.579   7.812
  172    HB3  ALA  22           HB3      ALA  22  33.806   7.995   6.237
  173    H    VAL  23           H        VAL  23  33.916   5.918   9.491
  174    HA   VAL  23           HA       VAL  23  36.103   7.478  10.538
  175    HB   VAL  23           HB       VAL  23  34.265   5.809  12.226
  176   HG11  VAL  23          HG11      VAL  23  35.866   6.842  13.554
  177   HG12  VAL  23          HG12      VAL  23  35.870   8.313  12.579
  178   HG13  VAL  23          HG13      VAL  23  34.505   7.959  13.638
  179   HG21  VAL  23          HG21      VAL  23  33.614   8.340  10.749
  180   HG22  VAL  23          HG22      VAL  23  32.685   6.843  10.841
  181   HG23  VAL  23          HG23      VAL  23  32.791   7.904  12.247
  182    H    LEU  24           H        LEU  24  35.244   4.083  10.287
  183    HA   LEU  24           HA       LEU  24  37.060   2.973  12.072
  184    HB2  LEU  24           HB2      LEU  24  35.228   2.003  10.309
  185    HB3  LEU  24           HB3      LEU  24  36.739   1.507   9.550
  186    HG   LEU  24           HG       LEU  24  37.051   0.748  12.194
  187   HD11  LEU  24          HD11      LEU  24  34.888  -0.735  12.311
  188   HD12  LEU  24          HD12      LEU  24  34.194   0.587  11.373
  189   HD13  LEU  24          HD13      LEU  24  34.900   0.906  12.958
  190   HD21  LEU  24          HD21      LEU  24  36.104  -0.861   9.824
  191   HD22  LEU  24          HD22      LEU  24  36.803  -1.526  11.300
  192   HD23  LEU  24          HD23      LEU  24  37.779  -0.504  10.244
  193    H    GLY  25           H        GLY  25  37.525   4.078   8.757
  194    HA2  GLY  25           HA2      GLY  25  40.366   3.326   8.922
  195    HA3  GLY  25           HA3      GLY  25  39.495   3.699   7.442
  196    H    GLY  26           H        GLY  26  38.300   6.087   8.029
  197    HA2  GLY  26           HA2      GLY  26  40.521   7.882   7.794
  198    HA3  GLY  26           HA3      GLY  26  38.820   8.323   7.793
  199    H    SER  27           H        SER  27  41.518   7.435   9.902
  200    HA   SER  27           HA       SER  27  40.919   9.480  11.767
  201    HB2  SER  27           HB2      SER  27  39.286   7.318  12.134
  202    HB3  SER  27           HB3      SER  27  40.631   6.925  13.205
  203    HG   SER  27           HG       SER  27  38.905   8.224  14.148
  204    H    ARG  28           H        ARG  28  42.280   9.171  13.828
  205    HA   ARG  28           HA       ARG  28  44.576   7.440  13.544
  206    HB2  ARG  28           HB2      ARG  28  44.653  10.220  12.693
  207    HB3  ARG  28           HB3      ARG  28  45.827   9.891  13.960
  208    HG2  ARG  28           HG2      ARG  28  46.901   8.231  12.664
  209    HG3  ARG  28           HG3      ARG  28  45.589   8.207  11.484
  210    HD2  ARG  28           HD2      ARG  28  47.564   9.418  10.659
  211    HD3  ARG  28           HD3      ARG  28  46.144  10.456  10.777
  212    HE   ARG  28           HE       ARG  28  47.753  10.576  13.127
  213   HH11  ARG  28          HH11      ARG  28  47.474  11.743   9.859
  214   HH12  ARG  28          HH12      ARG  28  48.361  13.200  10.166
  215   HH21  ARG  28          HH21      ARG  28  48.923  12.490  13.543
  216   HH22  ARG  28          HH22      ARG  28  49.185  13.623  12.261
  217    H    ASP  29           H        ASP  29  44.148   6.590  15.539
  218    HA   ASP  29           HA       ASP  29  45.182   7.854  17.801
  219    HB2  ASP  29           HB2      ASP  29  42.686   8.881  17.236
  220    HB3  ASP  29           HB3      ASP  29  42.331   7.630  18.424
  221    H    TYR  30           H        TYR  30  45.218   5.317  16.480
  222    HA   TYR  30           HA       TYR  30  43.682   3.374  17.826
  223    HB2  TYR  30           HB2      TYR  30  46.249   3.261  16.261
  224    HB3  TYR  30           HB3      TYR  30  45.592   1.824  17.038
  225    HD1  TYR  30           HD1      TYR  30  44.717   4.515  14.619
  226    HD2  TYR  30           HD2      TYR  30  43.965   0.546  15.955
  227    HE1  TYR  30           HE1      TYR  30  43.252   4.145  12.678
  228    HE2  TYR  30           HE2      TYR  30  42.500   0.165  14.017
  229    HH   TYR  30           HH       TYR  30  42.457   2.088  11.337
  230    H    ASN  31           H        ASN  31  47.156   4.103  18.208
  231    HA   ASN  31           HA       ASN  31  47.136   4.257  20.995
  232    HB2  ASN  31           HB2      ASN  31  46.555   1.959  21.141
  233    HB3  ASN  31           HB3      ASN  31  47.699   1.512  19.879
  234   HD21  ASN  31          HD21      ASN  31  47.853   3.350  22.914
  235   HD22  ASN  31          HD22      ASN  31  49.216   2.501  23.554
  236    H    LYS  32           H        LYS  32  49.079   2.879  18.349
  237    HA   LYS  32           HA       LYS  32  51.565   3.746  19.424
  238    HB2  LYS  32           HB2      LYS  32  50.629   2.324  17.067
  239    HB3  LYS  32           HB3      LYS  32  51.933   3.439  16.680
  240    HG2  LYS  32           HG2      LYS  32  53.392   2.390  18.251
  241    HG3  LYS  32           HG3      LYS  32  52.078   1.395  18.883
  242    HD2  LYS  32           HD2      LYS  32  52.207  -0.081  17.181
  243    HD3  LYS  32           HD3      LYS  32  52.542   1.174  15.984
  244    HE2  LYS  32           HE2      LYS  32  54.838   1.221  16.537
  245    HE3  LYS  32           HE3      LYS  32  54.579   0.291  18.013
  246    HZ1  LYS  32           HZ1      LYS  32  53.657  -1.404  16.176
  247    HZ2  LYS  32           HZ2      LYS  32  55.257  -1.399  16.723
  248    HZ3  LYS  32           HZ3      LYS  32  54.857  -0.622  15.275
  Start of MODEL   15
    1    H1   ARG   1           H        ARG   1   4.192   1.141  -4.087
    2    HA   ARG   1           HA       ARG   1   6.274   0.872  -5.060
    3    HB2  ARG   1           HB2      ARG   1   5.861   3.372  -3.922
    4    HB3  ARG   1           HB3      ARG   1   7.486   2.940  -3.406
    5    HG2  ARG   1           HG2      ARG   1   8.264   2.780  -5.611
    6    HG3  ARG   1           HG3      ARG   1   6.629   2.737  -6.273
    7    HD2  ARG   1           HD2      ARG   1   6.450   5.093  -5.128
    8    HD3  ARG   1           HD3      ARG   1   8.209   5.048  -5.245
    9    HE   ARG   1           HE       ARG   1   6.345   5.418  -7.389
   10   HH11  ARG   1          HH11      ARG   1   9.517   4.252  -6.556
   11   HH12  ARG   1          HH12      ARG   1  10.165   4.491  -8.145
   12   HH21  ARG   1          HH21      ARG   1   7.185   5.737  -9.485
   13   HH22  ARG   1          HH22      ARG   1   8.838   5.336  -9.810
   14    H    ARG   2           H        ARG   2   7.653  -0.741  -4.768
   15    HA   ARG   2           HA       ARG   2   8.420  -1.773  -2.279
   16    HB2  ARG   2           HB2      ARG   2   9.244  -2.191  -5.101
   17    HB3  ARG   2           HB3      ARG   2  10.364  -2.737  -3.860
   18    HG2  ARG   2           HG2      ARG   2   9.187  -4.620  -3.822
   19    HG3  ARG   2           HG3      ARG   2   7.935  -3.698  -2.988
   20    HD2  ARG   2           HD2      ARG   2   8.142  -3.955  -5.984
   21    HD3  ARG   2           HD3      ARG   2   7.127  -4.981  -4.971
   22    HE   ARG   2           HE       ARG   2   6.342  -2.478  -4.305
   23   HH11  ARG   2          HH11      ARG   2   6.693  -4.154  -7.336
   24   HH12  ARG   2          HH12      ARG   2   5.423  -3.273  -8.119
   25   HH21  ARG   2          HH21      ARG   2   4.668  -1.312  -5.325
   26   HH22  ARG   2          HH22      ARG   2   4.273  -1.656  -6.974
   27    H    SER   3           H        SER   3  10.702  -1.989  -1.514
   28    HA   SER   3           HA       SER   3  12.628  -1.080  -0.712
   29    HB2  SER   3           HB2      SER   3  12.534  -0.302  -3.461
   30    HB3  SER   3           HB3      SER   3  13.169   1.049  -2.522
   31    HG   SER   3           HG       SER   3  14.187  -1.557  -2.807
   32    H    ARG   4           H        ARG   4   9.916   0.071  -0.167
   33    HA   ARG   4           HA       ARG   4  10.766   2.230   1.474
   34    HB2  ARG   4           HB2      ARG   4  10.597   3.269  -0.857
   35    HB3  ARG   4           HB3      ARG   4   8.860   3.031  -0.718
   36    HG2  ARG   4           HG2      ARG   4   8.767   5.018   0.256
   37    HG3  ARG   4           HG3      ARG   4   9.574   4.293   1.647
   38    HD2  ARG   4           HD2      ARG   4  10.931   6.108   1.157
   39    HD3  ARG   4           HD3      ARG   4  11.750   4.777   0.341
   40    HE   ARG   4           HE       ARG   4   9.989   5.937  -1.481
   41   HH11  ARG   4          HH11      ARG   4  12.866   6.780   0.288
   42   HH12  ARG   4          HH12      ARG   4  13.430   7.900  -0.908
   43   HH21  ARG   4          HH21      ARG   4  10.721   7.408  -3.063
   44   HH22  ARG   4          HH22      ARG   4  12.209   8.257  -2.813
   45    H    LYS   5           H        LYS   5   9.393  -0.236   1.806
   46    HA   LYS   5           HA       LYS   5   7.231   0.629   3.432
   47    HB2  LYS   5           HB2      LYS   5   6.481   0.363   0.821
   48    HB3  LYS   5           HB3      LYS   5   6.142  -1.248   1.441
   49    HG2  LYS   5           HG2      LYS   5   4.941   0.044   3.358
   50    HG3  LYS   5           HG3      LYS   5   4.917   1.366   2.187
   51    HD2  LYS   5           HD2      LYS   5   3.942  -0.371   0.559
   52    HD3  LYS   5           HD3      LYS   5   3.630  -1.340   2.002
   53    HE2  LYS   5           HE2      LYS   5   2.693   1.503   1.681
   54    HE3  LYS   5           HE3      LYS   5   1.721   0.107   1.219
   55    HZ1  LYS   5           HZ1      LYS   5   2.575  -0.420   3.775
   56    HZ2  LYS   5           HZ2      LYS   5   1.022   0.062   3.309
   57    HZ3  LYS   5           HZ3      LYS   5   2.155   1.218   3.800
   58    H    ASN   6           H        ASN   6   9.631  -0.925   3.680
   59    HA   ASN   6           HA       ASN   6   8.726  -3.007   5.308
   60    HB2  ASN   6           HB2      ASN   6   8.734  -3.703   2.556
   61    HB3  ASN   6           HB3      ASN   6  10.076  -4.555   3.312
   62   HD21  ASN   6          HD21      ASN   6   9.677  -6.213   4.684
   63   HD22  ASN   6          HD22      ASN   6   8.096  -6.823   5.024
   64    H    GLY   7           H        GLY   7  11.296  -1.742   3.275
   65    HA2  GLY   7           HA2      GLY   7  13.409  -3.021   4.745
   66    HA3  GLY   7           HA3      GLY   7  13.595  -1.768   3.528
   67    H    ILE   8           H        ILE   8  12.729  -2.330   6.911
   68    HA   ILE   8           HA       ILE   8  12.646   0.331   7.754
   69    HB   ILE   8           HB       ILE   8  13.535  -2.080   9.342
   70   HG12  ILE   8          HG12      ILE   8  10.905  -1.185   9.988
   71   HG13  ILE   8          HG13      ILE   8  11.001  -1.375   8.240
   72   HG21  ILE   8          HG21      ILE   8  12.461  -0.503  11.182
   73   HG22  ILE   8          HG22      ILE   8  14.161  -0.390  10.732
   74   HG23  ILE   8          HG23      ILE   8  12.994   0.748  10.059
   75   HD11  ILE   8          HD11      ILE   8  10.658  -3.537   8.528
   76   HD12  ILE   8          HD12      ILE   8  12.231  -3.641   9.318
   77   HD13  ILE   8          HD13      ILE   8  10.778  -3.370  10.279
   78    H    GLY   9           H        GLY   9  15.373  -1.933   7.578
   79    HA2  GLY   9           HA2      GLY   9  17.188   0.368   7.588
   80    HA3  GLY   9           HA3      GLY   9  17.440  -0.884   8.795
   81    H    TYR  10           H        TYR  10  16.261  -1.784   5.670
   82    HA   TYR  10           HA       TYR  10  18.556  -3.443   5.220
   83    HB2  TYR  10           HB2      TYR  10  16.043  -2.896   3.652
   84    HB3  TYR  10           HB3      TYR  10  17.332  -3.910   3.013
   85    HD1  TYR  10           HD1      TYR  10  15.366  -3.561   6.180
   86    HD2  TYR  10           HD2      TYR  10  17.092  -6.180   3.306
   87    HE1  TYR  10           HE1      TYR  10  14.438  -5.491   7.390
   88    HE2  TYR  10           HE2      TYR  10  16.168  -8.117   4.507
   89    HH   TYR  10           HH       TYR  10  15.448  -8.551   7.020
   90    H    ALA  11           H        ALA  11  17.059  -0.855   3.270
   91    HA   ALA  11           HA       ALA  11  19.305  -0.586   1.550
   92    HB1  ALA  11           HB1      ALA  11  17.144   1.460   2.010
   93    HB2  ALA  11           HB2      ALA  11  18.153   1.255   0.577
   94    HB3  ALA  11           HB3      ALA  11  16.943   0.038   0.985
   95    H    ILE  12           H        ILE  12  18.126   1.300   4.318
   96    HA   ILE  12           HA       ILE  12  20.058   3.326   4.233
   97    HB   ILE  12           HB       ILE  12  18.795   2.246   6.749
   98   HG12  ILE  12          HG12      ILE  12  17.357   4.484   5.844
   99   HG13  ILE  12          HG13      ILE  12  17.555   3.450   4.433
  100   HG21  ILE  12          HG21      ILE  12  19.805   4.987   6.001
  101   HG22  ILE  12          HG22      ILE  12  19.019   4.565   7.521
  102   HG23  ILE  12          HG23      ILE  12  20.580   3.855   7.110
  103   HD11  ILE  12          HD11      ILE  12  15.481   3.124   5.875
  104   HD12  ILE  12          HD12      ILE  12  16.398   1.686   5.425
  105   HD13  ILE  12          HD13      ILE  12  16.564   2.367   7.043
  106    H    GLY  13           H        GLY  13  20.018   0.268   6.055
  107    HA2  GLY  13           HA2      GLY  13  22.542   0.655   7.286
  108    HA3  GLY  13           HA3      GLY  13  21.697  -0.878   7.126
  109    H    TYR  14           H        TYR  14  21.597  -0.598   4.172
  110    HA   TYR  14           HA       TYR  14  23.829  -2.103   3.503
  111    HB2  TYR  14           HB2      TYR  14  21.646  -1.738   2.188
  112    HB3  TYR  14           HB3      TYR  14  22.438  -0.316   1.519
  113    HD1  TYR  14           HD1      TYR  14  24.407  -0.562   0.062
  114    HD2  TYR  14           HD2      TYR  14  22.284  -3.952   1.511
  115    HE1  TYR  14           HE1      TYR  14  25.499  -1.964  -1.638
  116    HE2  TYR  14           HE2      TYR  14  23.370  -5.364  -0.184
  117    HH   TYR  14           HH       TYR  14  25.559  -3.978  -2.602
  118    H    ALA  15           H        ALA  15  23.266   1.364   2.907
  119    HA   ALA  15           HA       ALA  15  25.878   1.826   1.870
  120    HB1  ALA  15           HB1      ALA  15  25.236   4.264   2.269
  121    HB2  ALA  15           HB2      ALA  15  24.235   3.334   1.153
  122    HB3  ALA  15           HB3      ALA  15  23.672   3.640   2.796
  123    H    PHE  16           H        PHE  16  24.357   2.371   5.027
  124    HA   PHE  16           HA       PHE  16  26.385   3.729   6.314
  125    HB2  PHE  16           HB2      PHE  16  24.075   2.145   7.106
  126    HB3  PHE  16           HB3      PHE  16  25.398   2.001   8.259
  127    HD1  PHE  16           HD2      PHE  16  26.607   4.506   8.508
  128    HD2  PHE  16           HD1      PHE  16  22.501   3.659   7.774
  129    HE1  PHE  16           HE2      PHE  16  25.988   6.674   9.491
  130    HE2  PHE  16           HE1      PHE  16  21.875   5.827   8.754
  131    HZ   PHE  16           HZ       PHE  16  23.619   7.337   9.615
  132    H    GLY  17           H        GLY  17  25.985   0.221   5.939
  133    HA2  GLY  17           HA2      GLY  17  28.211  -0.554   7.471
  134    HA3  GLY  17           HA3      GLY  17  27.468  -1.511   6.198
  135    H    ALA  18           H        ALA  18  27.961   0.551   4.160
  136    HA   ALA  18           HA       ALA  18  30.584  -0.307   3.396
  137    HB1  ALA  18           HB1      ALA  18  28.589   1.560   2.141
  138    HB2  ALA  18           HB2      ALA  18  30.173   1.238   1.434
  139    HB3  ALA  18           HB3      ALA  18  29.018  -0.078   1.645
  140    H    VAL  19           H        VAL  19  29.152   2.759   4.446
  141    HA   VAL  19           HA       VAL  19  31.303   4.454   4.054
  142    HB   VAL  19           HB       VAL  19  29.278   4.493   6.294
  143   HG11  VAL  19          HG11      VAL  19  31.393   6.450   5.481
  144   HG12  VAL  19          HG12      VAL  19  29.901   7.000   6.245
  145   HG13  VAL  19          HG13      VAL  19  30.965   5.876   7.092
  146   HG21  VAL  19          HG21      VAL  19  28.855   4.799   3.616
  147   HG22  VAL  19          HG22      VAL  19  27.844   5.491   4.885
  148   HG23  VAL  19          HG23      VAL  19  29.110   6.465   4.137
  149    H    GLU  20           H        GLU  20  30.832   2.002   6.475
  150    HA   GLU  20           HA       GLU  20  32.885   2.932   8.244
  151    HB2  GLU  20           HB2      GLU  20  31.940   0.089   8.165
  152    HB3  GLU  20           HB3      GLU  20  32.423   1.057   9.550
  153    HG2  GLU  20           HG2      GLU  20  30.303   2.470   8.829
  154    HG3  GLU  20           HG3      GLU  20  29.821   0.920   8.142
  155    H    ARG  21           H        ARG  21  32.661   0.347   5.818
  156    HA   ARG  21           HA       ARG  21  35.243  -0.681   6.140
  157    HB2  ARG  21           HB2      ARG  21  33.135  -0.814   4.079
  158    HB3  ARG  21           HB3      ARG  21  34.767  -1.123   3.502
  159    HG2  ARG  21           HG2      ARG  21  34.532  -3.214   4.186
  160    HG3  ARG  21           HG3      ARG  21  34.531  -2.613   5.846
  161    HD2  ARG  21           HD2      ARG  21  32.198  -2.582   5.957
  162    HD3  ARG  21           HD3      ARG  21  32.024  -2.639   4.203
  163    HE   ARG  21           HE       ARG  21  33.216  -4.989   4.749
  164   HH11  ARG  21          HH11      ARG  21  30.425  -3.396   6.087
  165   HH12  ARG  21          HH12      ARG  21  29.609  -4.873   6.482
  166   HH21  ARG  21          HH21      ARG  21  32.153  -6.940   5.264
  167   HH22  ARG  21          HH22      ARG  21  30.593  -6.888   6.014
  168    H    ALA  22           H        ALA  22  34.074   2.122   4.427
  169    HA   ALA  22           HA       ALA  22  36.192   2.611   2.692
  170    HB1  ALA  22           HB1      ALA  22  34.809   4.271   2.188
  171    HB2  ALA  22           HB2      ALA  22  33.939   4.064   3.709
  172    HB3  ALA  22           HB3      ALA  22  35.353   5.115   3.638
  173    H    VAL  23           H        VAL  23  35.759   3.741   6.042
  174    HA   VAL  23           HA       VAL  23  38.399   4.898   6.118
  175    HB   VAL  23           HB       VAL  23  36.711   4.396   8.548
  176   HG11  VAL  23          HG11      VAL  23  38.375   5.545   9.474
  177   HG12  VAL  23          HG12      VAL  23  39.079   5.907   7.897
  178   HG13  VAL  23          HG13      VAL  23  37.826   6.953   8.565
  179   HG21  VAL  23          HG21      VAL  23  35.118   5.324   7.066
  180   HG22  VAL  23          HG22      VAL  23  35.681   6.658   8.073
  181   HG23  VAL  23          HG23      VAL  23  36.282   6.484   6.424
  182    H    LEU  24           H        LEU  24  36.875   1.915   7.101
  183    HA   LEU  24           HA       LEU  24  38.691   0.941   8.949
  184    HB2  LEU  24           HB2      LEU  24  36.472  -0.031   7.721
  185    HB3  LEU  24           HB3      LEU  24  37.728  -1.031   6.995
  186    HG   LEU  24           HG       LEU  24  38.302  -1.135   9.696
  187   HD11  LEU  24          HD11      LEU  24  36.044  -1.914  10.595
  188   HD12  LEU  24          HD12      LEU  24  35.337  -1.007   9.258
  189   HD13  LEU  24          HD13      LEU  24  36.314  -0.176  10.468
  190   HD21  LEU  24          HD21      LEU  24  37.881  -3.402   9.475
  191   HD22  LEU  24          HD22      LEU  24  38.181  -2.903   7.810
  192   HD23  LEU  24          HD23      LEU  24  36.527  -3.149   8.373
  193    H    GLY  25           H        GLY  25  38.842   0.869   5.415
  194    HA2  GLY  25           HA2      GLY  25  41.437  -0.475   5.519
  195    HA3  GLY  25           HA3      GLY  25  40.496  -0.145   4.072
  196    H    GLY  26           H        GLY  26  40.865   2.441   6.308
  197    HA2  GLY  26           HA2      GLY  26  43.053   3.566   4.680
  198    HA3  GLY  26           HA3      GLY  26  41.610   4.509   5.020
  199    H    SER  27           H        SER  27  41.945   5.982   6.530
  200    HA   SER  27           HA       SER  27  44.157   6.173   8.174
  201    HB2  SER  27           HB2      SER  27  42.024   7.779   7.656
  202    HB3  SER  27           HB3      SER  27  41.669   7.288   9.312
  203    HG   SER  27           HG       SER  27  42.964   8.988   9.599
  204    H    ARG  28           H        ARG  28  44.473   5.849  10.423
  205    HA   ARG  28           HA       ARG  28  42.604   4.423  12.031
  206    HB2  ARG  28           HB2      ARG  28  43.338   2.585  10.557
  207    HB3  ARG  28           HB3      ARG  28  45.005   2.881  11.032
  208    HG2  ARG  28           HG2      ARG  28  44.750   1.901  13.061
  209    HG3  ARG  28           HG3      ARG  28  43.055   2.372  13.199
  210    HD2  ARG  28           HD2      ARG  28  42.749   0.155  12.829
  211    HD3  ARG  28           HD3      ARG  28  42.846   0.680  11.149
  212    HE   ARG  28           HE       ARG  28  45.425   0.126  11.820
  213   HH11  ARG  28          HH11      ARG  28  42.433  -1.649  11.947
  214   HH12  ARG  28          HH12      ARG  28  43.187  -3.191  11.712
  215   HH21  ARG  28          HH21      ARG  28  46.429  -1.898  11.510
  216   HH22  ARG  28          HH22      ARG  28  45.461  -3.332  11.464
  217    H    ASP  29           H        ASP  29  42.961   5.309  13.946
  218    HA   ASP  29           HA       ASP  29  45.336   5.063  15.389
  219    HB2  ASP  29           HB2      ASP  29  45.400   7.225  13.534
  220    HB3  ASP  29           HB3      ASP  29  45.303   7.906  15.156
  221    H    TYR  30           H        TYR  30  45.138   5.794  17.519
  222    HA   TYR  30           HA       TYR  30  42.443   6.155  18.407
  223    HB2  TYR  30           HB2      TYR  30  44.931   6.446  20.089
  224    HB3  TYR  30           HB3      TYR  30  43.314   5.996  20.619
  225    HD1  TYR  30           HD2      TYR  30  42.384   3.816  19.314
  226    HD2  TYR  30           HD1      TYR  30  46.481   4.751  19.979
  227    HE1  TYR  30           HE2      TYR  30  42.961   1.438  19.066
  228    HE2  TYR  30           HE1      TYR  30  47.070   2.375  19.732
  229    HH   TYR  30           HH       TYR  30  44.593  -0.104  19.384
  230    H    ASN  31           H        ASN  31  45.354   8.132  19.011
  231    HA   ASN  31           HA       ASN  31  44.266  10.567  18.184
  232    HB2  ASN  31           HB2      ASN  31  44.054  11.525  20.611
  233    HB3  ASN  31           HB3      ASN  31  42.697  10.664  19.890
  234   HD21  ASN  31          HD21      ASN  31  41.954   8.865  20.839
  235   HD22  ASN  31          HD22      ASN  31  42.642   8.143  22.250
  236    H    LYS  32           H        LYS  32  46.198   9.273  20.885
  237    HA   LYS  32           HA       LYS  32  48.176  11.350  20.599
  238    HB2  LYS  32           HB2      LYS  32  47.399   9.921  22.722
  239    HB3  LYS  32           HB3      LYS  32  48.742   8.911  22.203
  240    HG2  LYS  32           HG2      LYS  32  50.187  10.951  22.256
  241    HG3  LYS  32           HG3      LYS  32  48.832  11.812  22.992
  242    HD2  LYS  32           HD2      LYS  32  49.747  11.139  24.932
  243    HD3  LYS  32           HD3      LYS  32  48.977   9.594  24.562
  244    HE2  LYS  32           HE2      LYS  32  50.971   8.673  23.742
  245    HE3  LYS  32           HE3      LYS  32  51.736  10.253  23.580
  246    HZ1  LYS  32           HZ1      LYS  32  51.092  10.017  26.243
  247    HZ2  LYS  32           HZ2      LYS  32  52.633   9.888  25.559
  248    HZ3  LYS  32           HZ3      LYS  32  51.702   8.499  25.814
  Start of MODEL   16
    1    H1   ARG   1           H        ARG   1   4.138   3.297  -6.045
    2    HA   ARG   1           HA       ARG   1   6.351   4.542  -4.844
    3    HB2  ARG   1           HB2      ARG   1   3.516   4.456  -3.797
    4    HB3  ARG   1           HB3      ARG   1   4.743   5.655  -3.409
    5    HG2  ARG   1           HG2      ARG   1   4.701   5.928  -6.070
    6    HG3  ARG   1           HG3      ARG   1   3.043   5.385  -5.804
    7    HD2  ARG   1           HD2      ARG   1   3.769   7.361  -3.849
    8    HD3  ARG   1           HD3      ARG   1   4.080   7.971  -5.474
    9    HE   ARG   1           HE       ARG   1   1.556   6.827  -5.515
   10   HH11  ARG   1          HH11      ARG   1   3.173   9.454  -3.902
   11   HH12  ARG   1          HH12      ARG   1   1.738  10.411  -3.742
   12   HH21  ARG   1          HH21      ARG   1  -0.340   8.077  -5.310
   13   HH22  ARG   1          HH22      ARG   1  -0.260   9.626  -4.542
   14    H    ARG   2           H        ARG   2   7.047   2.023  -4.458
   15    HA   ARG   2           HA       ARG   2   7.014   1.768  -1.562
   16    HB2  ARG   2           HB2      ARG   2   5.110   0.377  -2.616
   17    HB3  ARG   2           HB3      ARG   2   6.394  -0.671  -3.205
   18    HG2  ARG   2           HG2      ARG   2   7.149  -1.007  -0.885
   19    HG3  ARG   2           HG3      ARG   2   5.797  -0.018  -0.328
   20    HD2  ARG   2           HD2      ARG   2   5.666  -2.654  -1.781
   21    HD3  ARG   2           HD3      ARG   2   5.184  -2.324  -0.117
   22    HE   ARG   2           HE       ARG   2   3.638  -1.868  -2.480
   23   HH11  ARG   2          HH11      ARG   2   4.207  -0.781   0.778
   24   HH12  ARG   2          HH12      ARG   2   2.619  -0.115   0.972
   25   HH21  ARG   2          HH21      ARG   2   1.545  -0.995  -2.237
   26   HH22  ARG   2          HH22      ARG   2   1.106  -0.238  -0.744
   27    H    SER   3           H        SER   3   9.161   2.006  -1.299
   28    HA   SER   3           HA       SER   3  10.901  -0.128  -1.981
   29    HB2  SER   3           HB2      SER   3  10.615   1.417  -4.129
   30    HB3  SER   3           HB3      SER   3  11.822   2.391  -3.290
   31    HG   SER   3           HG       SER   3  12.187  -0.383  -3.611
   32    H    ARG   4           H        ARG   4  10.571   3.246  -1.017
   33    HA   ARG   4           HA       ARG   4  13.028   3.169   0.524
   34    HB2  ARG   4           HB2      ARG   4  12.286   5.510   1.185
   35    HB3  ARG   4           HB3      ARG   4  12.630   5.251  -0.520
   36    HG2  ARG   4           HG2      ARG   4   9.832   4.835   0.296
   37    HG3  ARG   4           HG3      ARG   4  10.432   6.492   0.398
   38    HD2  ARG   4           HD2      ARG   4  10.753   6.660  -1.864
   39    HD3  ARG   4           HD3      ARG   4  11.007   4.927  -2.065
   40    HE   ARG   4           HE       ARG   4   8.778   4.715  -2.486
   41   HH11  ARG   4          HH11      ARG   4   9.296   7.684  -0.744
   42   HH12  ARG   4          HH12      ARG   4   7.643   8.192  -0.859
   43   HH21  ARG   4          HH21      ARG   4   6.600   5.372  -2.643
   44   HH22  ARG   4          HH22      ARG   4   6.111   6.876  -1.939
   45    H    LYS   5           H        LYS   5  11.545   1.208   1.510
   46    HA   LYS   5           HA       LYS   5  11.155   1.965   4.224
   47    HB2  LYS   5           HB2      LYS   5   9.012   2.747   3.151
   48    HB3  LYS   5           HB3      LYS   5   8.667   1.065   2.766
   49    HG2  LYS   5           HG2      LYS   5   9.232   0.994   5.461
   50    HG3  LYS   5           HG3      LYS   5   8.349   2.510   5.263
   51    HD2  LYS   5           HD2      LYS   5   6.573   1.113   5.525
   52    HD3  LYS   5           HD3      LYS   5   6.787   0.940   3.782
   53    HE2  LYS   5           HE2      LYS   5   6.538  -1.245   4.719
   54    HE3  LYS   5           HE3      LYS   5   8.220  -1.051   4.229
   55    HZ1  LYS   5           HZ1      LYS   5   8.766  -1.642   6.279
   56    HZ2  LYS   5           HZ2      LYS   5   7.158  -1.594   6.804
   57    HZ3  LYS   5           HZ3      LYS   5   8.102  -0.190   6.841
   58    H    ASN   6           H        ASN   6  10.574  -0.418   1.688
   59    HA   ASN   6           HA       ASN   6  10.267  -2.686   3.289
   60    HB2  ASN   6           HB2      ASN   6   9.803  -2.657   0.871
   61    HB3  ASN   6           HB3      ASN   6  11.525  -2.494   0.542
   62   HD21  ASN   6          HD21      ASN   6   9.131  -4.598   2.049
   63   HD22  ASN   6          HD22      ASN   6   9.981  -6.073   1.757
   64    H    GLY   7           H        GLY   7  13.129  -0.929   2.323
   65    HA2  GLY   7           HA2      GLY   7  14.924  -3.008   3.266
   66    HA3  GLY   7           HA3      GLY   7  15.388  -1.447   2.606
   67    H    ILE   8           H        ILE   8  14.237  -3.115   5.480
   68    HA   ILE   8           HA       ILE   8  14.163  -1.000   7.275
   69    HB   ILE   8           HB       ILE   8  15.079  -3.814   7.878
   70   HG12  ILE   8          HG12      ILE   8  12.359  -3.255   8.615
   71   HG13  ILE   8          HG13      ILE   8  12.586  -2.893   6.907
   72   HG21  ILE   8          HG21      ILE   8  15.566  -2.650   9.801
   73   HG22  ILE   8          HG22      ILE   8  14.253  -1.497   9.563
   74   HG23  ILE   8          HG23      ILE   8  13.899  -3.136  10.110
   75   HD11  ILE   8          HD11      ILE   8  11.828  -5.189   7.300
   76   HD12  ILE   8          HD12      ILE   8  13.404  -5.129   6.511
   77   HD13  ILE   8          HD13      ILE   8  13.292  -5.500   8.231
   78    H    GLY   9           H        GLY   9  16.911  -3.091   6.414
   79    HA2  GLY   9           HA2      GLY   9  18.713  -0.937   7.262
   80    HA3  GLY   9           HA3      GLY   9  18.928  -2.528   7.977
   81    H    TYR  10           H        TYR  10  17.847  -2.395   4.713
   82    HA   TYR  10           HA       TYR  10  20.188  -3.770   3.807
   83    HB2  TYR  10           HB2      TYR  10  17.733  -2.736   2.390
   84    HB3  TYR  10           HB3      TYR  10  19.041  -3.557   1.546
   85    HD1  TYR  10           HD1      TYR  10  16.659  -4.020   4.377
   86    HD2  TYR  10           HD2      TYR  10  19.009  -5.873   1.354
   87    HE1  TYR  10           HE1      TYR  10  15.641  -6.191   4.925
   88    HE2  TYR  10           HE2      TYR  10  17.997  -8.049   1.893
   89    HH   TYR  10           HH       TYR  10  15.448  -8.630   3.159
   90    H    ALA  11           H        ALA  11  18.706  -0.661   2.875
   91    HA   ALA  11           HA       ALA  11  20.966   0.172   1.353
   92    HB1  ALA  11           HB1      ALA  11  18.503   1.574   2.341
   93    HB2  ALA  11           HB2      ALA  11  19.782   2.435   1.483
   94    HB3  ALA  11           HB3      ALA  11  18.926   1.110   0.692
   95    H    ILE  12           H        ILE  12  19.715   1.075   4.558
   96    HA   ILE  12           HA       ILE  12  21.687   2.965   5.184
   97    HB   ILE  12           HB       ILE  12  20.300   1.186   7.185
   98   HG12  ILE  12          HG12      ILE  12  18.941   3.637   6.986
   99   HG13  ILE  12          HG13      ILE  12  19.180   3.096   5.329
  100   HG21  ILE  12          HG21      ILE  12  20.523   3.157   8.647
  101   HG22  ILE  12          HG22      ILE  12  22.082   2.529   8.117
  102   HG23  ILE  12          HG23      ILE  12  21.416   3.980   7.369
  103   HD11  ILE  12          HD11      ILE  12  17.750   1.676   7.551
  104   HD12  ILE  12          HD12      ILE  12  17.095   2.252   6.018
  105   HD13  ILE  12          HD13      ILE  12  18.209   0.885   6.043
  106    H    GLY  13           H        GLY  13  21.508  -0.506   5.962
  107    HA2  GLY  13           HA2      GLY  13  23.959  -0.631   7.353
  108    HA3  GLY  13           HA3      GLY  13  23.125  -1.995   6.623
  109    H    TYR  14           H        TYR  14  23.212  -0.702   3.949
  110    HA   TYR  14           HA       TYR  14  25.479  -1.934   2.930
  111    HB2  TYR  14           HB2      TYR  14  23.385  -1.082   1.698
  112    HB3  TYR  14           HB3      TYR  14  24.220   0.465   1.616
  113    HD1  TYR  14           HD2      TYR  14  26.309   0.676   0.310
  114    HD2  TYR  14           HD1      TYR  14  24.032  -2.918   0.306
  115    HE1  TYR  14           HE2      TYR  14  27.504  -0.072  -1.706
  116    HE2  TYR  14           HE1      TYR  14  25.221  -3.676  -1.709
  117    HH   TYR  14           HH       TYR  14  26.467  -2.545  -3.647
  118    H    ALA  15           H        ALA  15  24.962   1.536   3.548
  119    HA   ALA  15           HA       ALA  15  27.634   2.268   2.892
  120    HB1  ALA  15           HB1      ALA  15  26.047   3.972   2.654
  121    HB2  ALA  15           HB2      ALA  15  25.378   3.695   4.263
  122    HB3  ALA  15           HB3      ALA  15  26.973   4.427   4.085
  123    H    PHE  16           H        PHE  16  25.923   1.704   5.945
  124    HA   PHE  16           HA       PHE  16  27.866   2.481   7.744
  125    HB2  PHE  16           HB2      PHE  16  25.515   0.769   7.791
  126    HB3  PHE  16           HB3      PHE  16  26.766   0.195   8.890
  127    HD1  PHE  16           HD2      PHE  16  27.948   2.365  10.134
  128    HD2  PHE  16           HD1      PHE  16  23.916   2.038   8.811
  129    HE1  PHE  16           HE2      PHE  16  27.273   4.057  11.787
  130    HE2  PHE  16           HE1      PHE  16  23.234   3.730  10.462
  131    HZ   PHE  16           HZ       PHE  16  24.913   4.742  11.953
  132    H    GLY  17           H        GLY  17  27.433  -0.747   6.296
  133    HA2  GLY  17           HA2      GLY  17  29.589  -2.013   7.530
  134    HA3  GLY  17           HA3      GLY  17  28.918  -2.465   5.969
  135    H    ALA  18           H        ALA  18  29.523   0.089   4.718
  136    HA   ALA  18           HA       ALA  18  32.208  -0.491   3.912
  137    HB1  ALA  18           HB1      ALA  18  30.749   2.008   3.146
  138    HB2  ALA  18           HB2      ALA  18  31.893   1.049   2.206
  139    HB3  ALA  18           HB3      ALA  18  30.262   0.443   2.493
  140    H    VAL  19           H        VAL  19  30.643   2.114   5.734
  141    HA   VAL  19           HA       VAL  19  32.781   3.847   6.026
  142    HB   VAL  19           HB       VAL  19  30.606   3.209   8.023
  143   HG11  VAL  19          HG11      VAL  19  32.576   5.488   7.936
  144   HG12  VAL  19          HG12      VAL  19  31.132   5.461   8.950
  145   HG13  VAL  19          HG13      VAL  19  32.407   4.268   9.198
  146   HG21  VAL  19          HG21      VAL  19  29.250   4.408   6.736
  147   HG22  VAL  19          HG22      VAL  19  30.388   5.755   6.722
  148   HG23  VAL  19          HG23      VAL  19  30.522   4.476   5.516
  149    H    GLU  20           H        GLU  20  32.189   0.783   7.566
  150    HA   GLU  20           HA       GLU  20  34.102   1.134   9.669
  151    HB2  GLU  20           HB2      GLU  20  33.211  -1.552   8.682
  152    HB3  GLU  20           HB3      GLU  20  33.585  -1.042  10.322
  153    HG2  GLU  20           HG2      GLU  20  31.484   0.544   9.838
  154    HG3  GLU  20           HG3      GLU  20  31.079  -0.812   8.787
  155    H    ARG  21           H        ARG  21  34.087  -0.579   6.560
  156    HA   ARG  21           HA       ARG  21  36.633  -1.710   6.723
  157    HB2  ARG  21           HB2      ARG  21  34.711  -1.094   4.570
  158    HB3  ARG  21           HB3      ARG  21  36.387  -1.242   4.058
  159    HG2  ARG  21           HG2      ARG  21  35.486  -3.374   5.848
  160    HG3  ARG  21           HG3      ARG  21  34.635  -3.305   4.304
  161    HD2  ARG  21           HD2      ARG  21  37.039  -3.081   3.314
  162    HD3  ARG  21           HD3      ARG  21  37.533  -3.778   4.857
  163    HE   ARG  21           HE       ARG  21  35.517  -5.396   3.884
  164   HH11  ARG  21          HH11      ARG  21  38.690  -4.382   2.875
  165   HH12  ARG  21          HH12      ARG  21  39.021  -5.841   2.001
  166   HH21  ARG  21          HH21      ARG  21  35.940  -7.322   2.738
  167   HH22  ARG  21          HH22      ARG  21  37.456  -7.512   1.923
  168    H    ALA  22           H        ALA  22  35.619   1.535   5.951
  169    HA   ALA  22           HA       ALA  22  37.945   2.468   4.692
  170    HB1  ALA  22           HB1      ALA  22  35.756   3.808   6.235
  171    HB2  ALA  22           HB2      ALA  22  37.148   4.726   5.658
  172    HB3  ALA  22           HB3      ALA  22  36.112   3.881   4.508
  173    H    VAL  23           H        VAL  23  37.004   2.527   8.123
  174    HA   VAL  23           HA       VAL  23  39.540   3.631   8.933
  175    HB   VAL  23           HB       VAL  23  37.576   2.367  10.818
  176   HG11  VAL  23          HG11      VAL  23  38.372   4.518  12.090
  177   HG12  VAL  23          HG12      VAL  23  39.389   3.077  12.037
  178   HG13  VAL  23          HG13      VAL  23  39.721   4.432  10.958
  179   HG21  VAL  23          HG21      VAL  23  37.271   4.911   9.275
  180   HG22  VAL  23          HG22      VAL  23  36.070   3.671   9.635
  181   HG23  VAL  23          HG23      VAL  23  36.606   4.774  10.902
  182    H    LEU  24           H        LEU  24  38.154   0.482   8.550
  183    HA   LEU  24           HA       LEU  24  39.772  -0.996  10.297
  184    HB2  LEU  24           HB2      LEU  24  37.728  -1.576   8.616
  185    HB3  LEU  24           HB3      LEU  24  39.087  -2.272   7.736
  186    HG   LEU  24           HG       LEU  24  39.388  -3.186  10.353
  187   HD11  LEU  24          HD11      LEU  24  37.178  -2.549  10.978
  188   HD12  LEU  24          HD12      LEU  24  37.180  -4.295  10.731
  189   HD13  LEU  24          HD13      LEU  24  36.501  -3.231   9.499
  190   HD21  LEU  24          HD21      LEU  24  38.004  -4.788   8.244
  191   HD22  LEU  24          HD22      LEU  24  39.260  -5.277   9.382
  192   HD23  LEU  24          HD23      LEU  24  39.669  -4.257   8.002
  193    H    GLY  25           H        GLY  25  40.338   0.206   7.046
  194    HA2  GLY  25           HA2      GLY  25  42.708  -1.306   6.570
  195    HA3  GLY  25           HA3      GLY  25  42.187   0.115   5.677
  196    H    GLY  26           H        GLY  26  42.051   1.663   8.252
  197    HA2  GLY  26           HA2      GLY  26  44.725   2.680   8.143
  198    HA3  GLY  26           HA3      GLY  26  43.441   3.237   9.206
  199    H    SER  27           H        SER  27  44.405   3.283  11.154
  200    HA   SER  27           HA       SER  27  44.828   0.894  12.576
  201    HB2  SER  27           HB2      SER  27  47.376   1.456  12.972
  202    HB3  SER  27           HB3      SER  27  46.881   0.469  11.597
  203    HG   SER  27           HG       SER  27  48.356   2.223  11.096
  204    H    ARG  28           H        ARG  28  43.629   1.847  14.167
  205    HA   ARG  28           HA       ARG  28  43.167   3.105  16.005
  206    HB2  ARG  28           HB2      ARG  28  46.098   3.828  15.991
  207    HB3  ARG  28           HB3      ARG  28  45.002   3.844  17.366
  208    HG2  ARG  28           HG2      ARG  28  44.766   1.369  17.099
  209    HG3  ARG  28           HG3      ARG  28  46.046   1.443  15.886
  210    HD2  ARG  28           HD2      ARG  28  46.307   2.387  18.738
  211    HD3  ARG  28           HD3      ARG  28  46.867   0.827  18.138
  212    HE   ARG  28           HE       ARG  28  48.188   3.332  17.867
  213   HH11  ARG  28          HH11      ARG  28  47.629   0.294  16.262
  214   HH12  ARG  28          HH12      ARG  28  49.104   0.352  15.355
  215   HH21  ARG  28          HH21      ARG  28  50.133   3.421  16.679
  216   HH22  ARG  28          HH22      ARG  28  50.528   2.131  15.594
  217    H    ASP  29           H        ASP  29  42.379   4.357  13.828
  218    HA   ASP  29           HA       ASP  29  43.475   6.807  13.137
  219    HB2  ASP  29           HB2      ASP  29  41.531   5.604  12.032
  220    HB3  ASP  29           HB3      ASP  29  40.508   6.277  13.298
  221    H    TYR  30           H        TYR  30  40.648   6.425  15.279
  222    HA   TYR  30           HA       TYR  30  39.825   7.767  16.929
  223    HB2  TYR  30           HB2      TYR  30  42.776   7.942  17.568
  224    HB3  TYR  30           HB3      TYR  30  41.481   8.413  18.663
  225    HD1  TYR  30           HD2      TYR  30  39.570   6.388  18.716
  226    HD2  TYR  30           HD1      TYR  30  43.763   5.947  18.142
  227    HE1  TYR  30           HE2      TYR  30  39.437   4.080  19.556
  228    HE2  TYR  30           HE1      TYR  30  43.641   3.638  18.979
  229    HH   TYR  30           HH       TYR  30  40.824   1.933  19.264
  230    H    ASN  31           H        ASN  31  39.281   9.292  15.122
  231    HA   ASN  31           HA       ASN  31  39.766  11.933  15.885
  232    HB2  ASN  31           HB2      ASN  31  41.924  10.914  14.446
  233    HB3  ASN  31           HB3      ASN  31  41.012  11.842  13.259
  234   HD21  ASN  31          HD21      ASN  31  41.444  13.919  13.142
  235   HD22  ASN  31          HD22      ASN  31  42.183  14.875  14.377
  236    H    LYS  32           H        LYS  32  39.475  10.232  12.760
  237    HA   LYS  32           HA       LYS  32  37.951  10.403  11.077
  238    HB2  LYS  32           HB2      LYS  32  36.455  10.271  13.578
  239    HB3  LYS  32           HB3      LYS  32  35.551  11.065  12.296
  240    HG2  LYS  32           HG2      LYS  32  35.931   9.115  10.847
  241    HG3  LYS  32           HG3      LYS  32  36.776   8.316  12.175
  242    HD2  LYS  32           HD2      LYS  32  34.809   8.190  13.478
  243    HD3  LYS  32           HD3      LYS  32  33.952   9.323  12.430
  244    HE2  LYS  32           HE2      LYS  32  34.606   7.382  10.658
  245    HE3  LYS  32           HE3      LYS  32  34.413   6.430  12.129
  246    HZ1  LYS  32           HZ1      LYS  32  32.415   8.059  10.705
  247    HZ2  LYS  32           HZ2      LYS  32  32.226   7.745  12.356
  248    HZ3  LYS  32           HZ3      LYS  32  32.295   6.463  11.254
  Start of MODEL   17
    1    H1   ARG   1           H        ARG   1   7.609   1.777  -4.678
    2    HA   ARG   1           HA       ARG   1   9.477   3.266  -5.106
    3    HB2  ARG   1           HB2      ARG   1   7.450   5.283  -4.161
    4    HB3  ARG   1           HB3      ARG   1   9.171   5.644  -4.200
    5    HG2  ARG   1           HG2      ARG   1   9.048   6.142  -6.350
    6    HG3  ARG   1           HG3      ARG   1   8.400   4.541  -6.714
    7    HD2  ARG   1           HD2      ARG   1   6.198   5.683  -5.709
    8    HD3  ARG   1           HD3      ARG   1   7.004   7.123  -6.332
    9    HE   ARG   1           HE       ARG   1   7.098   5.271  -8.367
   10   HH11  ARG   1          HH11      ARG   1   4.622   6.857  -6.504
   11   HH12  ARG   1          HH12      ARG   1   3.451   6.815  -7.781
   12   HH21  ARG   1          HH21      ARG   1   5.566   5.209 -10.056
   13   HH22  ARG   1          HH22      ARG   1   3.989   5.876  -9.800
   14    H    ARG   2           H        ARG   2  10.423   1.896  -3.602
   15    HA   ARG   2           HA       ARG   2   9.862   1.833  -0.859
   16    HB2  ARG   2           HB2      ARG   2  12.106   0.776  -0.639
   17    HB3  ARG   2           HB3      ARG   2  11.105   0.046  -1.887
   18    HG2  ARG   2           HG2      ARG   2  12.556   2.041  -3.189
   19    HG3  ARG   2           HG3      ARG   2  13.701   1.259  -2.098
   20    HD2  ARG   2           HD2      ARG   2  11.987  -0.058  -4.197
   21    HD3  ARG   2           HD3      ARG   2  13.742   0.117  -4.209
   22    HE   ARG   2           HE       ARG   2  12.891  -1.295  -1.905
   23   HH11  ARG   2          HH11      ARG   2  13.349  -1.652  -5.338
   24   HH12  ARG   2          HH12      ARG   2  13.625  -3.361  -5.256
   25   HH21  ARG   2          HH21      ARG   2  13.252  -3.544  -1.784
   26   HH22  ARG   2          HH22      ARG   2  13.568  -4.436  -3.233
   27    H    SER   3           H        SER   3  10.370   3.136   0.782
   28    HA   SER   3           HA       SER   3  12.712   4.772   0.818
   29    HB2  SER   3           HB2      SER   3  11.431   6.949   0.992
   30    HB3  SER   3           HB3      SER   3  11.485   6.237  -0.620
   31    HG   SER   3           HG       SER   3   9.390   6.587  -0.437
   32    H    ARG   4           H        ARG   4  13.262   4.236   2.839
   33    HA   ARG   4           HA       ARG   4  13.201   3.995   5.101
   34    HB2  ARG   4           HB2      ARG   4  12.188   6.490   4.529
   35    HB3  ARG   4           HB3      ARG   4  10.942   5.802   5.562
   36    HG2  ARG   4           HG2      ARG   4  13.863   5.901   6.281
   37    HG3  ARG   4           HG3      ARG   4  12.674   7.111   6.770
   38    HD2  ARG   4           HD2      ARG   4  12.366   4.180   7.372
   39    HD3  ARG   4           HD3      ARG   4  13.195   5.295   8.457
   40    HE   ARG   4           HE       ARG   4  10.674   6.350   7.845
   41   HH11  ARG   4          HH11      ARG   4  12.099   3.687   9.576
   42   HH12  ARG   4          HH12      ARG   4  10.800   3.563  10.716
   43   HH21  ARG   4          HH21      ARG   4   8.957   6.197   9.339
   44   HH22  ARG   4          HH22      ARG   4   9.013   4.991  10.579
   45    H    LYS   5           H        LYS   5  11.534   2.255   3.500
   46    HA   LYS   5           HA       LYS   5   9.970   1.114   5.607
   47    HB2  LYS   5           HB2      LYS   5   8.586   2.999   4.304
   48    HB3  LYS   5           HB3      LYS   5   8.303   1.655   3.205
   49    HG2  LYS   5           HG2      LYS   5   6.496   1.746   4.753
   50    HG3  LYS   5           HG3      LYS   5   7.475   0.330   5.141
   51    HD2  LYS   5           HD2      LYS   5   8.308   1.274   7.079
   52    HD3  LYS   5           HD3      LYS   5   8.017   2.923   6.523
   53    HE2  LYS   5           HE2      LYS   5   5.570   1.367   6.738
   54    HE3  LYS   5           HE3      LYS   5   6.437   1.476   8.270
   55    HZ1  LYS   5           HZ1      LYS   5   4.903   3.453   6.954
   56    HZ2  LYS   5           HZ2      LYS   5   6.486   4.010   7.163
   57    HZ3  LYS   5           HZ3      LYS   5   5.588   3.493   8.501
   58    H    ASN   6           H        ASN   6  12.162   0.355   3.885
   59    HA   ASN   6           HA       ASN   6  11.435  -2.275   3.288
   60    HB2  ASN   6           HB2      ASN   6  10.720  -0.416   1.237
   61    HB3  ASN   6           HB3      ASN   6  12.025  -1.435   0.638
   62   HD21  ASN   6          HD21      ASN   6   9.121  -1.271  -0.001
   63   HD22  ASN   6          HD22      ASN   6   8.537  -2.888   0.174
   64    H    GLY   7           H        GLY   7  13.552   0.441   2.594
   65    HA2  GLY   7           HA2      GLY   7  15.816  -1.443   2.375
   66    HA3  GLY   7           HA3      GLY   7  15.785   0.158   1.653
   67    H    ILE   8           H        ILE   8  14.659  -0.536   4.901
   68    HA   ILE   8           HA       ILE   8  16.114   1.533   6.085
   69    HB   ILE   8           HB       ILE   8  15.031  -0.957   7.408
   70   HG12  ILE   8          HG12      ILE   8  13.739   1.763   7.331
   71   HG13  ILE   8          HG13      ILE   8  13.445   0.570   6.071
   72   HG21  ILE   8          HG21      ILE   8  14.905   0.998   9.278
   73   HG22  ILE   8          HG22      ILE   8  16.219  -0.170   9.146
   74   HG23  ILE   8          HG23      ILE   8  16.391   1.435   8.435
   75   HD11  ILE   8          HD11      ILE   8  12.366  -0.882   7.541
   76   HD12  ILE   8          HD12      ILE   8  13.014  -0.066   8.965
   77   HD13  ILE   8          HD13      ILE   8  11.775   0.719   7.985
   78    H    GLY   9           H        GLY   9  16.638  -1.908   6.849
   79    HA2  GLY   9           HA2      GLY   9  19.266  -1.465   7.817
   80    HA3  GLY   9           HA3      GLY   9  18.547  -3.030   7.464
   81    H    TYR  10           H        TYR  10  18.029  -1.956   4.644
   82    HA   TYR  10           HA       TYR  10  20.268  -3.138   3.421
   83    HB2  TYR  10           HB2      TYR  10  17.993  -1.461   2.401
   84    HB3  TYR  10           HB3      TYR  10  19.299  -1.949   1.327
   85    HD1  TYR  10           HD1      TYR  10  16.602  -3.226   3.519
   86    HD2  TYR  10           HD2      TYR  10  19.393  -4.142   0.441
   87    HE1  TYR  10           HE1      TYR  10  15.488  -5.390   3.161
   88    HE2  TYR  10           HE2      TYR  10  18.286  -6.308   0.073
   89    HH   TYR  10           HH       TYR  10  16.440  -7.532   0.528
   90    H    ALA  11           H        ALA  11  19.293   0.285   3.605
   91    HA   ALA  11           HA       ALA  11  21.681   1.248   2.390
   92    HB1  ALA  11           HB1      ALA  11  20.022   2.977   4.163
   93    HB2  ALA  11           HB2      ALA  11  20.791   3.352   2.620
   94    HB3  ALA  11           HB3      ALA  11  19.329   2.366   2.661
   95    H    ILE  12           H        ILE  12  20.501   1.484   5.752
   96    HA   ILE  12           HA       ILE  12  22.757   2.588   6.898
   97    HB   ILE  12           HB       ILE  12  20.888   0.570   8.145
   98   HG12  ILE  12          HG12      ILE  12  20.697   3.447   8.794
   99   HG13  ILE  12          HG13      ILE  12  20.217   3.007   7.158
  100   HG21  ILE  12          HG21      ILE  12  21.688   2.043  10.214
  101   HG22  ILE  12          HG22      ILE  12  22.539   0.586   9.702
  102   HG23  ILE  12          HG23      ILE  12  23.136   2.172   9.215
  103   HD11  ILE  12          HD11      ILE  12  18.703   2.835   9.509
  104   HD12  ILE  12          HD12      ILE  12  18.266   2.280   7.892
  105   HD13  ILE  12          HD13      ILE  12  19.055   1.177   9.019
  106    H    GLY  13           H        GLY  13  21.987  -0.867   6.507
  107    HA2  GLY  13           HA2      GLY  13  24.328  -1.861   7.708
  108    HA3  GLY  13           HA3      GLY  13  23.324  -2.731   6.558
  109    H    TYR  14           H        TYR  14  23.697  -0.726   4.454
  110    HA   TYR  14           HA       TYR  14  25.873  -1.854   3.127
  111    HB2  TYR  14           HB2      TYR  14  23.909  -0.522   2.157
  112    HB3  TYR  14           HB3      TYR  14  24.840   0.918   2.552
  113    HD1  TYR  14           HD2      TYR  14  27.025   1.317   1.432
  114    HD2  TYR  14           HD1      TYR  14  24.456  -1.869   0.270
  115    HE1  TYR  14           HE2      TYR  14  28.248   1.113  -0.692
  116    HE2  TYR  14           HE1      TYR  14  25.673  -2.084  -1.856
  117    HH   TYR  14           HH       TYR  14  27.120  -0.928  -3.274
  118    H    ALA  15           H        ALA  15  25.633   1.333   4.701
  119    HA   ALA  15           HA       ALA  15  28.350   2.022   4.280
  120    HB1  ALA  15           HB1      ALA  15  27.850   3.714   6.141
  121    HB2  ALA  15           HB2      ALA  15  26.920   3.830   4.646
  122    HB3  ALA  15           HB3      ALA  15  26.200   3.091   6.077
  123    H    PHE  16           H        PHE  16  26.615   0.564   6.997
  124    HA   PHE  16           HA       PHE  16  28.615   0.603   8.914
  125    HB2  PHE  16           HB2      PHE  16  26.163  -0.923   8.443
  126    HB3  PHE  16           HB3      PHE  16  27.377  -1.828   9.341
  127    HD1  PHE  16           HD2      PHE  16  28.619  -0.115  11.139
  128    HD2  PHE  16           HD1      PHE  16  24.587   0.039   9.785
  129    HE1  PHE  16           HE2      PHE  16  27.976   1.067  13.199
  130    HE2  PHE  16           HE1      PHE  16  23.937   1.222  11.842
  131    HZ   PHE  16           HZ       PHE  16  25.632   1.737  13.553
  132    H    GLY  17           H        GLY  17  27.979  -1.865   6.433
  133    HA2  GLY  17           HA2      GLY  17  30.017  -3.646   7.150
  134    HA3  GLY  17           HA3      GLY  17  29.324  -3.497   5.542
  135    H    ALA  18           H        ALA  18  30.124  -0.708   5.235
  136    HA   ALA  18           HA       ALA  18  32.757  -1.171   4.209
  137    HB1  ALA  18           HB1      ALA  18  31.393   1.500   4.396
  138    HB2  ALA  18           HB2      ALA  18  32.601   0.963   3.228
  139    HB3  ALA  18           HB3      ALA  18  30.967   0.302   3.175
  140    H    VAL  19           H        VAL  19  31.397   0.745   6.862
  141    HA   VAL  19           HA       VAL  19  33.663   2.106   7.682
  142    HB   VAL  19           HB       VAL  19  31.443   0.975   9.389
  143   HG11  VAL  19          HG11      VAL  19  33.858   2.502  10.070
  144   HG12  VAL  19          HG12      VAL  19  32.354   3.145  10.733
  145   HG13  VAL  19          HG13      VAL  19  32.833   1.483  11.082
  146   HG21  VAL  19          HG21      VAL  19  31.696   3.857   8.722
  147   HG22  VAL  19          HG22      VAL  19  31.124   2.767   7.459
  148   HG23  VAL  19          HG23      VAL  19  30.253   2.879   8.988
  149    H    GLU  20           H        GLU  20  32.819  -1.248   8.099
  150    HA   GLU  20           HA       GLU  20  34.766  -1.787  10.130
  151    HB2  GLU  20           HB2      GLU  20  33.642  -3.897   8.322
  152    HB3  GLU  20           HB3      GLU  20  34.067  -4.008  10.024
  153    HG2  GLU  20           HG2      GLU  20  32.103  -2.174  10.148
  154    HG3  GLU  20           HG3      GLU  20  31.577  -3.105   8.746
  155    H    ARG  21           H        ARG  21  34.602  -2.247   6.621
  156    HA   ARG  21           HA       ARG  21  37.005  -3.616   6.269
  157    HB2  ARG  21           HB2      ARG  21  35.181  -2.044   4.572
  158    HB3  ARG  21           HB3      ARG  21  36.840  -2.120   3.994
  159    HG2  ARG  21           HG2      ARG  21  36.625  -4.237   3.339
  160    HG3  ARG  21           HG3      ARG  21  35.820  -4.709   4.836
  161    HD2  ARG  21           HD2      ARG  21  34.342  -5.045   2.941
  162    HD3  ARG  21           HD3      ARG  21  33.718  -3.771   3.987
  163    HE   ARG  21           HE       ARG  21  35.199  -2.470   2.083
  164   HH11  ARG  21          HH11      ARG  21  32.486  -4.652   2.075
  165   HH12  ARG  21          HH12      ARG  21  31.800  -4.000   0.624
  166   HH21  ARG  21          HH21      ARG  21  34.305  -1.604   0.171
  167   HH22  ARG  21          HH22      ARG  21  32.836  -2.268  -0.459
  168    H    ALA  22           H        ALA  22  36.382  -0.259   6.899
  169    HA   ALA  22           HA       ALA  22  38.809   0.841   5.995
  170    HB1  ALA  22           HB1      ALA  22  36.843   1.724   8.091
  171    HB2  ALA  22           HB2      ALA  22  38.279   2.663   7.679
  172    HB3  ALA  22           HB3      ALA  22  37.053   2.343   6.452
  173    H    VAL  23           H        VAL  23  37.835  -0.274   9.235
  174    HA   VAL  23           HA       VAL  23  40.496   0.101  10.286
  175    HB   VAL  23           HB       VAL  23  38.340  -1.458  11.675
  176   HG11  VAL  23          HG11      VAL  23  39.937  -1.462  13.231
  177   HG12  VAL  23          HG12      VAL  23  40.890  -0.254  12.367
  178   HG13  VAL  23          HG13      VAL  23  39.591   0.254  13.447
  179   HG21  VAL  23          HG21      VAL  23  37.158   0.467  10.935
  180   HG22  VAL  23          HG22      VAL  23  37.578   0.744  12.625
  181   HG23  VAL  23          HG23      VAL  23  38.503   1.531  11.346
  182    H    LEU  24           H        LEU  24  38.662  -2.466   8.861
  183    HA   LEU  24           HA       LEU  24  39.865  -4.731   9.879
  184    HB2  LEU  24           HB2      LEU  24  38.073  -4.208   7.897
  185    HB3  LEU  24           HB3      LEU  24  39.462  -4.778   6.973
  186    HG   LEU  24           HG       LEU  24  38.032  -6.640   7.350
  187   HD11  LEU  24          HD11      LEU  24  40.161  -6.957   9.439
  188   HD12  LEU  24          HD12      LEU  24  40.549  -6.865   7.722
  189   HD13  LEU  24          HD13      LEU  24  39.516  -8.161   8.324
  190   HD21  LEU  24          HD21      LEU  24  37.425  -7.354   9.652
  191   HD22  LEU  24          HD22      LEU  24  36.693  -5.824   9.168
  192   HD23  LEU  24          HD23      LEU  24  38.083  -5.833  10.255
  193    H    GLY  25           H        GLY  25  40.964  -2.685   7.189
  194    HA2  GLY  25           HA2      GLY  25  43.701  -3.523   7.699
  195    HA3  GLY  25           HA3      GLY  25  43.055  -3.969   6.127
  196    H    GLY  26           H        GLY  26  43.192  -1.088   8.235
  197    HA2  GLY  26           HA2      GLY  26  44.245   0.427   5.954
  198    HA3  GLY  26           HA3      GLY  26  42.778   1.006   6.730
  199    H    SER  27           H        SER  27  43.239   2.722   7.927
  200    HA   SER  27           HA       SER  27  44.958   2.574  10.165
  201    HB2  SER  27           HB2      SER  27  46.814   3.848   9.547
  202    HB3  SER  27           HB3      SER  27  46.552   2.848   8.118
  203    HG   SER  27           HG       SER  27  46.809   5.320   7.984
  204    H    ARG  28           H        ARG  28  44.914   4.497  11.456
  205    HA   ARG  28           HA       ARG  28  43.908   6.315  12.380
  206    HB2  ARG  28           HB2      ARG  28  44.693   7.217  10.045
  207    HB3  ARG  28           HB3      ARG  28  42.971   7.225   9.687
  208    HG2  ARG  28           HG2      ARG  28  42.517   8.834  11.312
  209    HG3  ARG  28           HG3      ARG  28  44.054   8.564  12.137
  210    HD2  ARG  28           HD2      ARG  28  44.438  10.553  11.023
  211    HD3  ARG  28           HD3      ARG  28  45.102   9.363   9.904
  212    HE   ARG  28           HE       ARG  28  42.418   9.806   9.243
  213   HH11  ARG  28          HH11      ARG  28  45.472  11.477   9.227
  214   HH12  ARG  28          HH12      ARG  28  45.056  12.494   7.888
  215   HH21  ARG  28          HH21      ARG  28  41.859  11.140   7.479
  216   HH22  ARG  28          HH22      ARG  28  43.001  12.302   6.895
  217    H    ASP  29           H        ASP  29  42.310   5.068  13.401
  218    HA   ASP  29           HA       ASP  29  39.922   4.198  12.225
  219    HB2  ASP  29           HB2      ASP  29  40.183   5.027  15.113
  220    HB3  ASP  29           HB3      ASP  29  39.137   3.785  14.429
  221    H    TYR  30           H        TYR  30  37.827   5.148  13.699
  222    HA   TYR  30           HA       TYR  30  37.586   7.928  13.897
  223    HB2  TYR  30           HB2      TYR  30  37.743   7.197  11.248
  224    HB3  TYR  30           HB3      TYR  30  36.006   7.266  11.518
  225    HD1  TYR  30           HD1      TYR  30  38.926   9.323  12.641
  226    HD2  TYR  30           HD2      TYR  30  35.094   9.250  10.793
  227    HE1  TYR  30           HE1      TYR  30  38.996  11.771  12.414
  228    HE2  TYR  30           HE2      TYR  30  35.154  11.697  10.560
  229    HH   TYR  30           HH       TYR  30  36.899  13.494  10.441
  230    H    ASN  31           H        ASN  31  36.069   8.028  15.402
  231    HA   ASN  31           HA       ASN  31  34.262   6.026  16.053
  232    HB2  ASN  31           HB2      ASN  31  34.648   8.852  16.779
  233    HB3  ASN  31           HB3      ASN  31  32.996   8.272  16.971
  234   HD21  ASN  31          HD21      ASN  31  33.281   8.586  19.231
  235   HD22  ASN  31          HD22      ASN  31  34.119   7.409  20.179
  236    H    LYS  32           H        LYS  32  33.630   9.034  14.250
  237    HA   LYS  32           HA       LYS  32  31.798   7.765  12.485
  238    HB2  LYS  32           HB2      LYS  32  30.594   8.219  14.824
  239    HB3  LYS  32           HB3      LYS  32  30.395   9.819  14.122
  240    HG2  LYS  32           HG2      LYS  32  28.449   8.740  13.509
  241    HG3  LYS  32           HG3      LYS  32  29.461   8.556  12.075
  242    HD2  LYS  32           HD2      LYS  32  30.132   6.345  13.537
  243    HD3  LYS  32           HD3      LYS  32  28.419   6.534  13.919
  244    HE2  LYS  32           HE2      LYS  32  27.975   6.685  11.462
  245    HE3  LYS  32           HE3      LYS  32  29.668   6.276  11.188
  246    HZ1  LYS  32           HZ1      LYS  32  27.799   4.447  11.256
  247    HZ2  LYS  32           HZ2      LYS  32  28.105   4.512  12.918
  248    HZ3  LYS  32           HZ3      LYS  32  29.356   4.138  11.842
  Start of MODEL   18
    1    H1   ARG   1           H        ARG   1   1.825   3.412   0.294
    2    HA   ARG   1           HA       ARG   1   2.873   1.960   2.600
    3    HB2  ARG   1           HB2      ARG   1   3.486   0.031   1.102
    4    HB3  ARG   1           HB3      ARG   1   1.768   0.193   1.444
    5    HG2  ARG   1           HG2      ARG   1   1.270   0.421  -0.708
    6    HG3  ARG   1           HG3      ARG   1   2.528   1.635  -0.947
    7    HD2  ARG   1           HD2      ARG   1   3.133  -1.303  -0.752
    8    HD3  ARG   1           HD3      ARG   1   2.735  -0.521  -2.281
    9    HE   ARG   1           HE       ARG   1   5.200  -0.306  -0.808
   10   HH11  ARG   1          HH11      ARG   1   3.131   1.167  -3.189
   11   HH12  ARG   1          HH12      ARG   1   4.410   2.068  -3.933
   12   HH21  ARG   1          HH21      ARG   1   6.892   0.874  -1.779
   13   HH22  ARG   1          HH22      ARG   1   6.549   1.900  -3.131
   14    H    ARG   2           H        ARG   2   5.094   1.888   2.701
   15    HA   ARG   2           HA       ARG   2   6.669   2.812   0.439
   16    HB2  ARG   2           HB2      ARG   2   5.857   4.791   1.942
   17    HB3  ARG   2           HB3      ARG   2   7.090   4.213   3.055
   18    HG2  ARG   2           HG2      ARG   2   8.800   4.906   1.743
   19    HG3  ARG   2           HG3      ARG   2   7.914   4.614   0.245
   20    HD2  ARG   2           HD2      ARG   2   7.802   6.865   0.185
   21    HD3  ARG   2           HD3      ARG   2   6.446   6.620   1.284
   22    HE   ARG   2           HE       ARG   2   7.692   7.536   2.978
   23   HH11  ARG   2          HH11      ARG   2   9.772   6.782   0.290
   24   HH12  ARG   2          HH12      ARG   2  11.148   7.597   0.958
   25   HH21  ARG   2          HH21      ARG   2   9.496   8.611   3.868
   26   HH22  ARG   2          HH22      ARG   2  10.990   8.636   2.994
   27    H    SER   3           H        SER   3   7.619   0.770   0.458
   28    HA   SER   3           HA       SER   3   9.846   0.479   2.221
   29    HB2  SER   3           HB2      SER   3   9.191  -1.203   3.614
   30    HB3  SER   3           HB3      SER   3   7.596  -0.503   3.339
   31    HG   SER   3           HG       SER   3   8.725  -2.842   2.289
   32    H    ARG   4           H        ARG   4   7.703  -1.029  -0.142
   33    HA   ARG   4           HA       ARG   4   9.812  -2.748  -1.139
   34    HB2  ARG   4           HB2      ARG   4   7.188  -3.149  -1.030
   35    HB3  ARG   4           HB3      ARG   4   7.247  -2.381  -2.611
   36    HG2  ARG   4           HG2      ARG   4   7.533  -4.494  -3.317
   37    HG3  ARG   4           HG3      ARG   4   9.220  -4.177  -2.905
   38    HD2  ARG   4           HD2      ARG   4   8.836  -6.186  -1.835
   39    HD3  ARG   4           HD3      ARG   4   8.526  -5.022  -0.547
   40    HE   ARG   4           HE       ARG   4   6.087  -5.419  -1.695
   41   HH11  ARG   4          HH11      ARG   4   8.509  -7.499  -0.308
   42   HH12  ARG   4          HH12      ARG   4   7.368  -8.686   0.233
   43   HH21  ARG   4          HH21      ARG   4   4.574  -6.973  -0.988
   44   HH22  ARG   4          HH22      ARG   4   5.130  -8.385  -0.156
   45    H    LYS   5           H        LYS   5  10.813  -0.321  -1.377
   46    HA   LYS   5           HA       LYS   5  11.403  -0.039  -4.093
   47    HB2  LYS   5           HB2      LYS   5   8.929   1.019  -3.608
   48    HB3  LYS   5           HB3      LYS   5   9.959   2.429  -3.396
   49    HG2  LYS   5           HG2      LYS   5  10.674   0.934  -5.766
   50    HG3  LYS   5           HG3      LYS   5   8.980   1.430  -5.784
   51    HD2  LYS   5           HD2      LYS   5   9.515   3.573  -6.124
   52    HD3  LYS   5           HD3      LYS   5  10.745   3.546  -4.858
   53    HE2  LYS   5           HE2      LYS   5  12.407   2.817  -6.328
   54    HE3  LYS   5           HE3      LYS   5  11.236   2.267  -7.526
   55    HZ1  LYS   5           HZ1      LYS   5  11.525   5.124  -6.810
   56    HZ2  LYS   5           HZ2      LYS   5  10.775   4.456  -8.170
   57    HZ3  LYS   5           HZ3      LYS   5  12.459   4.405  -8.024
   58    H    ASN   6           H        ASN   6  12.783  -0.127  -1.636
   59    HA   ASN   6           HA       ASN   6  14.685   1.886  -1.998
   60    HB2  ASN   6           HB2      ASN   6  12.428   2.759  -0.500
   61    HB3  ASN   6           HB3      ASN   6  13.787   2.620   0.612
   62   HD21  ASN   6          HD21      ASN   6  14.859   4.429   0.843
   63   HD22  ASN   6          HD22      ASN   6  15.113   5.633  -0.371
   64    H    GLY   7           H        GLY   7  13.146  -0.369   0.212
   65    HA2  GLY   7           HA2      GLY   7  14.063  -2.028   1.517
   66    HA3  GLY   7           HA3      GLY   7  15.605  -1.703   0.739
   67    H    ILE   8           H        ILE   8  13.828  -1.467   3.590
   68    HA   ILE   8           HA       ILE   8  14.971   0.796   4.805
   69    HB   ILE   8           HB       ILE   8  13.984  -1.735   6.125
   70   HG12  ILE   8          HG12      ILE   8  12.064   0.142   6.541
   71   HG13  ILE   8          HG13      ILE   8  12.639   0.617   4.946
   72   HG21  ILE   8          HG21      ILE   8  15.305  -0.549   7.697
   73   HG22  ILE   8          HG22      ILE   8  14.607   0.997   7.219
   74   HG23  ILE   8          HG23      ILE   8  13.622  -0.187   8.077
   75   HD11  ILE   8          HD11      ILE   8  12.311  -2.185   4.920
   76   HD12  ILE   8          HD12      ILE   8  10.868  -1.484   5.653
   77   HD13  ILE   8          HD13      ILE   8  11.386  -0.961   4.050
   78    H    GLY   9           H        GLY   9  15.703  -2.569   5.725
   79    HA2  GLY   9           HA2      GLY   9  18.156  -1.931   6.949
   80    HA3  GLY   9           HA3      GLY   9  17.647  -3.541   6.461
   81    H    TYR  10           H        TYR  10  17.348  -2.396   3.637
   82    HA   TYR  10           HA       TYR  10  19.833  -3.287   2.657
   83    HB2  TYR  10           HB2      TYR  10  17.535  -1.804   1.402
   84    HB3  TYR  10           HB3      TYR  10  18.992  -2.176   0.488
   85    HD1  TYR  10           HD1      TYR  10  16.194  -3.704   2.379
   86    HD2  TYR  10           HD2      TYR  10  19.339  -4.327  -0.418
   87    HE1  TYR  10           HE1      TYR  10  15.305  -5.944   1.888
   88    HE2  TYR  10           HE2      TYR  10  18.458  -6.569  -0.917
   89    HH   TYR  10           HH       TYR  10  15.675  -7.583  -0.518
   90    H    ALA  11           H        ALA  11  18.455  -0.003   2.790
   91    HA   ALA  11           HA       ALA  11  20.842   1.263   1.897
   92    HB1  ALA  11           HB1      ALA  11  18.334   2.086   1.954
   93    HB2  ALA  11           HB2      ALA  11  18.842   2.769   3.499
   94    HB3  ALA  11           HB3      ALA  11  19.680   3.224   2.016
   95    H    ILE  12           H        ILE  12  19.259   1.253   5.098
   96    HA   ILE  12           HA       ILE  12  21.222   2.558   6.530
   97    HB   ILE  12           HB       ILE  12  19.479   0.292   7.506
   98   HG12  ILE  12          HG12      ILE  12  18.808   3.058   8.228
   99   HG13  ILE  12          HG13      ILE  12  18.679   2.721   6.506
  100   HG21  ILE  12          HG21      ILE  12  20.858   0.456   9.285
  101   HG22  ILE  12          HG22      ILE  12  21.409   2.071   8.845
  102   HG23  ILE  12          HG23      ILE  12  19.860   1.860   9.660
  103   HD11  ILE  12          HD11      ILE  12  17.455   0.566   7.804
  104   HD12  ILE  12          HD12      ILE  12  16.899   2.022   8.630
  105   HD13  ILE  12          HD13      ILE  12  16.683   1.859   6.887
  106    H    GLY  13           H        GLY  13  20.910  -0.946   5.975
  107    HA2  GLY  13           HA2      GLY  13  23.199  -1.709   7.422
  108    HA3  GLY  13           HA3      GLY  13  22.441  -2.648   6.144
  109    H    TYR  14           H        TYR  14  22.832  -0.446   4.192
  110    HA   TYR  14           HA       TYR  14  25.272  -1.302   3.101
  111    HB2  TYR  14           HB2      TYR  14  23.279  -0.207   1.914
  112    HB3  TYR  14           HB3      TYR  14  23.962   1.329   2.434
  113    HD1  TYR  14           HD1      TYR  14  26.183   2.044   1.585
  114    HD2  TYR  14           HD2      TYR  14  24.228  -1.431   0.099
  115    HE1  TYR  14           HE1      TYR  14  27.668   2.054  -0.376
  116    HE2  TYR  14           HE2      TYR  14  25.708  -1.431  -1.865
  117    HH   TYR  14           HH       TYR  14  27.086   0.467  -3.130
  118    H    ALA  15           H        ALA  15  24.429   1.784   4.670
  119    HA   ALA  15           HA       ALA  15  27.064   2.826   4.593
  120    HB1  ALA  15           HB1      ALA  15  26.126   4.391   6.394
  121    HB2  ALA  15           HB2      ALA  15  25.378   4.426   4.797
  122    HB3  ALA  15           HB3      ALA  15  24.592   3.564   6.121
  123    H    PHE  16           H        PHE  16  25.221   1.078   7.054
  124    HA   PHE  16           HA       PHE  16  26.916   1.325   9.219
  125    HB2  PHE  16           HB2      PHE  16  24.811  -0.515   8.387
  126    HB3  PHE  16           HB3      PHE  16  26.031  -1.298   9.386
  127    HD1  PHE  16           HD2      PHE  16  26.785   0.422  11.416
  128    HD2  PHE  16           HD1      PHE  16  22.968   0.159   9.552
  129    HE1  PHE  16           HE2      PHE  16  25.739   1.367  13.433
  130    HE2  PHE  16           HE1      PHE  16  21.916   1.104  11.565
  131    HZ   PHE  16           HZ       PHE  16  23.301   1.708  13.509
  132    H    GLY  17           H        GLY  17  27.053  -1.049   6.581
  133    HA2  GLY  17           HA2      GLY  17  29.228  -2.538   7.555
  134    HA3  GLY  17           HA3      GLY  17  28.742  -2.430   5.869
  135    H    ALA  18           H        ALA  18  29.110   0.466   5.749
  136    HA   ALA  18           HA       ALA  18  31.895   0.471   5.083
  137    HB1  ALA  18           HB1      ALA  18  31.431   2.898   4.528
  138    HB2  ALA  18           HB2      ALA  18  30.488   1.699   3.642
  139    HB3  ALA  18           HB3      ALA  18  29.756   2.581   4.982
  140    H    VAL  19           H        VAL  19  29.908   2.022   7.573
  141    HA   VAL  19           HA       VAL  19  31.798   3.676   8.734
  142    HB   VAL  19           HB       VAL  19  29.582   2.134  10.087
  143   HG11  VAL  19          HG11      VAL  19  31.466   4.225  11.094
  144   HG12  VAL  19          HG12      VAL  19  29.824   4.133  11.734
  145   HG13  VAL  19          HG13      VAL  19  30.907   2.748  11.879
  146   HG21  VAL  19          HG21      VAL  19  28.195   3.952   9.695
  147   HG22  VAL  19          HG22      VAL  19  29.545   5.050   9.409
  148   HG23  VAL  19          HG23      VAL  19  29.119   3.843   8.196
  149    H    GLU  20           H        GLU  20  31.476   0.218   8.915
  150    HA   GLU  20           HA       GLU  20  33.179  -0.120  11.194
  151    HB2  GLU  20           HB2      GLU  20  32.694  -2.272   9.164
  152    HB3  GLU  20           HB3      GLU  20  32.886  -2.415  10.905
  153    HG2  GLU  20           HG2      GLU  20  30.642  -0.927  10.788
  154    HG3  GLU  20           HG3      GLU  20  30.486  -1.864   9.303
  155    H    ARG  21           H        ARG  21  33.592  -0.414   7.685
  156    HA   ARG  21           HA       ARG  21  36.225  -1.335   7.663
  157    HB2  ARG  21           HB2      ARG  21  34.433   0.023   5.742
  158    HB3  ARG  21           HB3      ARG  21  36.154   0.158   5.409
  159    HG2  ARG  21           HG2      ARG  21  35.758  -2.528   6.012
  160    HG3  ARG  21           HG3      ARG  21  34.374  -2.071   5.018
  161    HD2  ARG  21           HD2      ARG  21  36.123  -0.971   3.479
  162    HD3  ARG  21           HD3      ARG  21  37.295  -1.957   4.354
  163    HE   ARG  21           HE       ARG  21  35.412  -2.851   2.388
  164   HH11  ARG  21          HH11      ARG  21  37.256  -3.791   5.187
  165   HH12  ARG  21          HH12      ARG  21  37.272  -5.474   4.772
  166   HH21  ARG  21          HH21      ARG  21  35.426  -5.063   1.832
  167   HH22  ARG  21          HH22      ARG  21  36.232  -6.196   2.863
  168    H    ALA  22           H        ALA  22  34.929   1.854   8.192
  169    HA   ALA  22           HA       ALA  22  37.206   3.400   7.684
  170    HB1  ALA  22           HB1      ALA  22  34.674   3.753   9.120
  171    HB2  ALA  22           HB2      ALA  22  35.999   4.761   9.704
  172    HB3  ALA  22           HB3      ALA  22  35.514   4.837   8.010
  173    H    VAL  23           H        VAL  23  36.089   1.905  10.713
  174    HA   VAL  23           HA       VAL  23  38.455   2.729  12.140
  175    HB   VAL  23           HB       VAL  23  36.529   0.651  13.131
  176   HG11  VAL  23          HG11      VAL  23  38.333   0.955  14.600
  177   HG12  VAL  23          HG12      VAL  23  38.324   2.706  14.386
  178   HG13  VAL  23          HG13      VAL  23  37.028   1.921  15.288
  179   HG21  VAL  23          HG21      VAL  23  36.081   3.619  12.946
  180   HG22  VAL  23          HG22      VAL  23  35.042   2.321  12.359
  181   HG23  VAL  23          HG23      VAL  23  35.221   2.592  14.093
  182    H    LEU  24           H        LEU  24  37.251  -0.196  10.608
  183    HA   LEU  24           HA       LEU  24  39.022  -2.069  11.637
  184    HB2  LEU  24           HB2      LEU  24  37.036  -2.091   9.777
  185    HB3  LEU  24           HB3      LEU  24  38.460  -2.335   8.768
  186    HG   LEU  24           HG       LEU  24  38.688  -4.114  10.948
  187   HD11  LEU  24          HD11      LEU  24  36.365  -3.934  11.436
  188   HD12  LEU  24          HD12      LEU  24  36.609  -5.455  10.577
  189   HD13  LEU  24          HD13      LEU  24  35.936  -4.063   9.730
  190   HD21  LEU  24          HD21      LEU  24  37.985  -4.511   8.044
  191   HD22  LEU  24          HD22      LEU  24  38.443  -5.808   9.149
  192   HD23  LEU  24          HD23      LEU  24  39.596  -4.529   8.763
  193    H    GLY  25           H        GLY  25  39.407   0.048   8.806
  194    HA2  GLY  25           HA2      GLY  25  42.170   0.397   9.163
  195    HA3  GLY  25           HA3      GLY  25  41.928  -0.904   8.007
  196    H    GLY  26           H        GLY  26  40.505   2.315   8.621
  197    HA2  GLY  26           HA2      GLY  26  41.015   2.945   5.784
  198    HA3  GLY  26           HA3      GLY  26  39.448   3.270   6.509
  199    H    SER  27           H        SER  27  39.305   4.876   8.173
  200    HA   SER  27           HA       SER  27  40.759   7.210   7.596
  201    HB2  SER  27           HB2      SER  27  39.367   6.813  10.229
  202    HB3  SER  27           HB3      SER  27  39.460   8.263   9.230
  203    HG   SER  27           HG       SER  27  37.646   6.240   9.179
  204    H    ARG  28           H        ARG  28  42.616   8.017   8.350
  205    HA   ARG  28           HA       ARG  28  44.228   6.392  10.106
  206    HB2  ARG  28           HB2      ARG  28  45.962   8.140   9.689
  207    HB3  ARG  28           HB3      ARG  28  45.326   7.402   8.225
  208    HG2  ARG  28           HG2      ARG  28  43.792   9.731   8.911
  209    HG3  ARG  28           HG3      ARG  28  45.511  10.123   8.825
  210    HD2  ARG  28           HD2      ARG  28  44.395   8.429   6.665
  211    HD3  ARG  28           HD3      ARG  28  43.915  10.125   6.685
  212    HE   ARG  28           HE       ARG  28  46.655  10.113   6.970
  213   HH11  ARG  28          HH11      ARG  28  44.347   8.994   4.616
  214   HH12  ARG  28          HH12      ARG  28  45.422   9.196   3.273
  215   HH21  ARG  28          HH21      ARG  28  48.080  10.384   5.210
  216   HH22  ARG  28          HH22      ARG  28  47.546   9.986   3.612
  217    H    ASP  29           H        ASP  29  42.361   6.875  11.759
  218    HA   ASP  29           HA       ASP  29  43.470   8.353  13.859
  219    HB2  ASP  29           HB2      ASP  29  41.416  10.050  13.864
  220    HB3  ASP  29           HB3      ASP  29  42.934  10.428  13.054
  221    H    TYR  30           H        TYR  30  42.046   8.446  15.760
  222    HA   TYR  30           HA       TYR  30  40.571   7.508  17.215
  223    HB2  TYR  30           HB2      TYR  30  38.881   6.767  14.828
  224    HB3  TYR  30           HB3      TYR  30  38.350   7.043  16.483
  225    HD1  TYR  30           HD2      TYR  30  39.695   9.567  17.147
  226    HD2  TYR  30           HD1      TYR  30  37.772   8.363  13.548
  227    HE1  TYR  30           HE2      TYR  30  39.236  11.923  16.611
  228    HE2  TYR  30           HE1      TYR  30  37.309  10.715  13.001
  229    HH   TYR  30           HH       TYR  30  37.042  12.902  14.356
  230    H    ASN  31           H        ASN  31  42.232   5.896  17.581
  231    HA   ASN  31           HA       ASN  31  41.255   3.281  17.574
  232    HB2  ASN  31           HB2      ASN  31  42.531   4.036  15.111
  233    HB3  ASN  31           HB3      ASN  31  43.491   2.797  15.914
  234   HD21  ASN  31          HD21      ASN  31  41.524   2.981  13.540
  235   HD22  ASN  31          HD22      ASN  31  40.533   1.581  13.751
  236    H    LYS  32           H        LYS  32  44.170   5.275  17.451
  237    HA   LYS  32           HA       LYS  32  46.065   5.304  18.710
  238    HB2  LYS  32           HB2      LYS  32  43.899   4.976  20.468
  239    HB3  LYS  32           HB3      LYS  32  45.127   3.845  21.019
  240    HG2  LYS  32           HG2      LYS  32  46.016   5.560  22.114
  241    HG3  LYS  32           HG3      LYS  32  46.560   6.148  20.541
  242    HD2  LYS  32           HD2      LYS  32  45.440   7.989  21.375
  243    HD3  LYS  32           HD3      LYS  32  44.180   7.204  20.420
  244    HE2  LYS  32           HE2      LYS  32  44.458   6.437  23.279
  245    HE3  LYS  32           HE3      LYS  32  43.759   8.012  22.908
  246    HZ1  LYS  32           HZ1      LYS  32  41.940   6.603  22.979
  247    HZ2  LYS  32           HZ2      LYS  32  42.745   5.334  22.202
  248    HZ3  LYS  32           HZ3      LYS  32  42.266   6.696  21.321
  Start of MODEL   19
    1    H1   ARG   1           H        ARG   1   8.790  10.761   0.846
    2    HA   ARG   1           HA       ARG   1  10.395   9.829   2.192
    3    HB2  ARG   1           HB2      ARG   1   8.547  10.055   3.992
    4    HB3  ARG   1           HB3      ARG   1   8.287   8.336   3.726
    5    HG2  ARG   1           HG2      ARG   1  10.276   7.744   4.674
    6    HG3  ARG   1           HG3      ARG   1  11.055   9.272   4.256
    7    HD2  ARG   1           HD2      ARG   1   8.830   9.145   6.264
    8    HD3  ARG   1           HD3      ARG   1  10.501   8.821   6.725
    9    HE   ARG   1           HE       ARG   1  10.648  11.197   5.428
   10   HH11  ARG   1          HH11      ARG   1   8.722  10.007   8.072
   11   HH12  ARG   1          HH12      ARG   1   8.581  11.555   8.837
   12   HH21  ARG   1          HH21      ARG   1  10.469  13.241   6.425
   13   HH22  ARG   1          HH22      ARG   1   9.574  13.394   7.899
   14    H    ARG   2           H        ARG   2  10.540   8.748  -0.011
   15    HA   ARG   2           HA       ARG   2   9.702   5.978  -0.099
   16    HB2  ARG   2           HB2      ARG   2  11.337   7.637  -2.026
   17    HB3  ARG   2           HB3      ARG   2  10.829   5.979  -2.318
   18    HG2  ARG   2           HG2      ARG   2   8.443   7.010  -1.823
   19    HG3  ARG   2           HG3      ARG   2   9.249   8.486  -2.357
   20    HD2  ARG   2           HD2      ARG   2   9.917   6.331  -4.121
   21    HD3  ARG   2           HD3      ARG   2   8.166   6.428  -3.944
   22    HE   ARG   2           HE       ARG   2   9.222   9.003  -4.386
   23   HH11  ARG   2          HH11      ARG   2   8.625   5.997  -6.036
   24   HH12  ARG   2          HH12      ARG   2   8.447   6.736  -7.593
   25   HH21  ARG   2          HH21      ARG   2   8.989   9.989  -6.430
   26   HH22  ARG   2          HH22      ARG   2   8.655   9.007  -7.816
   27    H    SER   3           H        SER   3  10.846   4.995   1.572
   28    HA   SER   3           HA       SER   3  13.478   4.116   0.895
   29    HB2  SER   3           HB2      SER   3  14.107   6.264   1.857
   30    HB3  SER   3           HB3      SER   3  13.159   5.922   3.305
   31    HG   SER   3           HG       SER   3  15.261   5.405   3.768
   32    H    ARG   4           H        ARG   4  10.979   4.401   3.371
   33    HA   ARG   4           HA       ARG   4  11.789   1.928   4.646
   34    HB2  ARG   4           HB2      ARG   4   9.485   3.815   5.151
   35    HB3  ARG   4           HB3      ARG   4   9.776   2.355   6.087
   36    HG2  ARG   4           HG2      ARG   4  12.072   4.175   5.859
   37    HG3  ARG   4           HG3      ARG   4  10.688   4.802   6.757
   38    HD2  ARG   4           HD2      ARG   4  10.798   3.102   8.348
   39    HD3  ARG   4           HD3      ARG   4  11.765   2.061   7.305
   40    HE   ARG   4           HE       ARG   4  12.723   4.095   9.080
   41   HH11  ARG   4          HH11      ARG   4  13.392   2.344   6.146
   42   HH12  ARG   4          HH12      ARG   4  15.106   2.577   6.244
   43   HH21  ARG   4          HH21      ARG   4  14.978   4.408   9.220
   44   HH22  ARG   4          HH22      ARG   4  16.007   3.751   7.993
   45    H    LYS   5           H        LYS   5  11.332   1.226   2.147
   46    HA   LYS   5           HA       LYS   5   9.359  -0.746   2.293
   47    HB2  LYS   5           HB2      LYS   5   8.154   1.661   1.854
   48    HB3  LYS   5           HB3      LYS   5   8.414   1.107   0.205
   49    HG2  LYS   5           HG2      LYS   5   7.397  -1.108   1.549
   50    HG3  LYS   5           HG3      LYS   5   6.456   0.263   2.142
   51    HD2  LYS   5           HD2      LYS   5   6.938   0.145  -0.775
   52    HD3  LYS   5           HD3      LYS   5   5.850  -1.072  -0.103
   53    HE2  LYS   5           HE2      LYS   5   5.573   1.887   0.393
   54    HE3  LYS   5           HE3      LYS   5   4.732   1.027  -0.896
   55    HZ1  LYS   5           HZ1      LYS   5   3.309   0.082   0.544
   56    HZ2  LYS   5           HZ2      LYS   5   3.717   1.393   1.532
   57    HZ3  LYS   5           HZ3      LYS   5   4.466  -0.106   1.764
   58    H    ASN   6           H        ASN   6  12.061  -0.497   1.498
   59    HA   ASN   6           HA       ASN   6  12.096  -2.068  -0.812
   60    HB2  ASN   6           HB2      ASN   6  11.864   0.718  -1.369
   61    HB3  ASN   6           HB3      ASN   6  13.481   0.204  -1.840
   62   HD21  ASN   6          HD21      ASN   6  13.316   0.154  -3.994
   63   HD22  ASN   6          HD22      ASN   6  12.191  -0.818  -4.875
   64    H    GLY   7           H        GLY   7  13.797   0.227   1.234
   65    HA2  GLY   7           HA2      GLY   7  16.391  -0.915   0.627
   66    HA3  GLY   7           HA3      GLY   7  16.057   0.369   1.780
   67    H    ILE   8           H        ILE   8  15.327  -3.096   1.348
   68    HA   ILE   8           HA       ILE   8  14.966  -3.643   4.080
   69    HB   ILE   8           HB       ILE   8  15.898  -5.575   1.955
   70   HG12  ILE   8          HG12      ILE   8  13.126  -5.838   2.526
   71   HG13  ILE   8          HG13      ILE   8  13.437  -4.135   2.204
   72   HG21  ILE   8          HG21      ILE   8  16.177  -6.630   4.023
   73   HG22  ILE   8          HG22      ILE   8  14.709  -5.915   4.687
   74   HG23  ILE   8          HG23      ILE   8  14.598  -7.181   3.465
   75   HD11  ILE   8          HD11      ILE   8  14.653  -6.043   0.322
   76   HD12  ILE   8          HD12      ILE   8  12.893  -5.935   0.300
   77   HD13  ILE   8          HD13      ILE   8  13.868  -4.491   0.028
   78    H    GLY   9           H        GLY   9  17.805  -4.156   1.984
   79    HA2  GLY   9           HA2      GLY   9  19.466  -4.118   4.424
   80    HA3  GLY   9           HA3      GLY   9  19.731  -5.314   3.164
   81    H    TYR  10           H        TYR  10  18.795  -2.145   2.193
   82    HA   TYR  10           HA       TYR  10  21.228  -1.795   0.730
   83    HB2  TYR  10           HB2      TYR  10  18.751  -0.134   1.112
   84    HB3  TYR  10           HB3      TYR  10  20.153   0.515   0.268
   85    HD1  TYR  10           HD1      TYR  10  18.056  -2.585   0.247
   86    HD2  TYR  10           HD2      TYR  10  20.162   0.329  -2.027
   87    HE1  TYR  10           HE1      TYR  10  17.298  -3.666  -1.828
   88    HE2  TYR  10           HE2      TYR  10  19.409  -0.743  -4.109
   89    HH   TYR  10           HH       TYR  10  18.504  -3.566  -4.500
   90    H    ALA  11           H        ALA  11  19.667   0.230   3.223
   91    HA   ALA  11           HA       ALA  11  21.997   1.788   3.686
   92    HB1  ALA  11           HB1      ALA  11  20.546   3.092   4.741
   93    HB2  ALA  11           HB2      ALA  11  19.294   1.886   4.442
   94    HB3  ALA  11           HB3      ALA  11  20.227   1.835   5.937
   95    H    ILE  12           H        ILE  12  20.417  -0.775   5.593
   96    HA   ILE  12           HA       ILE  12  22.187  -0.872   7.719
   97    HB   ILE  12           HB       ILE  12  20.745  -3.201   6.444
   98   HG12  ILE  12          HG12      ILE  12  19.595  -2.280   8.902
   99   HG13  ILE  12          HG13      ILE  12  19.765  -0.913   7.807
  100   HG21  ILE  12          HG21      ILE  12  20.912  -4.152   8.775
  101   HG22  ILE  12          HG22      ILE  12  22.419  -4.087   7.862
  102   HG23  ILE  12          HG23      ILE  12  22.094  -2.888   9.114
  103   HD11  ILE  12          HD11      ILE  12  18.599  -2.300   6.071
  104   HD12  ILE  12          HD12      ILE  12  18.252  -3.464   7.350
  105   HD13  ILE  12          HD13      ILE  12  17.617  -1.823   7.455
  106    H    GLY  13           H        GLY  13  22.309  -2.762   4.697
  107    HA2  GLY  13           HA2      GLY  13  24.714  -4.109   5.290
  108    HA3  GLY  13           HA3      GLY  13  24.035  -3.885   3.684
  109    H    TYR  14           H        TYR  14  24.085  -0.956   3.908
  110    HA   TYR  14           HA       TYR  14  26.538  -0.442   2.703
  111    HB2  TYR  14           HB2      TYR  14  24.403   0.980   2.692
  112    HB3  TYR  14           HB3      TYR  14  24.981   1.650   4.213
  113    HD1  TYR  14           HD1      TYR  14  27.083   2.967   4.263
  114    HD2  TYR  14           HD2      TYR  14  25.364   1.633   0.607
  115    HE1  TYR  14           HE1      TYR  14  28.461   4.589   3.031
  116    HE2  TYR  14           HE2      TYR  14  26.739   3.250  -0.636
  117    HH   TYR  14           HH       TYR  14  28.570   5.715   0.961
  118    H    ALA  15           H        ALA  15  25.518   0.301   6.034
  119    HA   ALA  15           HA       ALA  15  28.051   1.277   6.852
  120    HB1  ALA  15           HB1      ALA  15  25.600   0.385   8.332
  121    HB2  ALA  15           HB2      ALA  15  27.071   0.856   9.185
  122    HB3  ALA  15           HB3      ALA  15  26.249   2.014   8.139
  123    H    PHE  16           H        PHE  16  26.481  -1.882   7.075
  124    HA   PHE  16           HA       PHE  16  28.264  -3.194   8.737
  125    HB2  PHE  16           HB2      PHE  16  26.218  -3.947   6.822
  126    HB3  PHE  16           HB3      PHE  16  27.557  -5.091   6.812
  127    HD1  PHE  16           HD2      PHE  16  28.412  -5.602   9.353
  128    HD2  PHE  16           HD1      PHE  16  24.470  -4.511   8.175
  129    HE1  PHE  16           HE2      PHE  16  27.514  -6.670  11.380
  130    HE2  PHE  16           HE1      PHE  16  23.566  -5.577  10.201
  131    HZ   PHE  16           HZ       PHE  16  25.089  -6.659  11.805
  132    H    GLY  17           H        GLY  17  28.339  -3.102   5.169
  133    HA2  GLY  17           HA2      GLY  17  30.711  -4.495   4.794
  134    HA3  GLY  17           HA3      GLY  17  30.093  -3.270   3.696
  135    H    ALA  18           H        ALA  18  30.230  -1.122   5.646
  136    HA   ALA  18           HA       ALA  18  32.959  -0.368   5.216
  137    HB1  ALA  18           HB1      ALA  18  31.585   1.459   5.053
  138    HB2  ALA  18           HB2      ALA  18  30.554   0.942   6.388
  139    HB3  ALA  18           HB3      ALA  18  32.146   1.626   6.717
  140    H    VAL  19           H        VAL  19  31.007  -1.219   8.049
  141    HA   VAL  19           HA       VAL  19  32.825  -0.674  10.064
  142    HB   VAL  19           HB       VAL  19  30.827  -2.934   9.911
  143   HG11  VAL  19          HG11      VAL  19  31.068  -2.466  12.537
  144   HG12  VAL  19          HG12      VAL  19  32.020  -3.683  11.685
  145   HG13  VAL  19          HG13      VAL  19  32.715  -2.098  12.026
  146   HG21  VAL  19          HG21      VAL  19  30.044  -0.920  11.717
  147   HG22  VAL  19          HG22      VAL  19  30.558  -0.104  10.241
  148   HG23  VAL  19          HG23      VAL  19  29.302  -1.340  10.173
  149    H    GLU  20           H        GLU  20  32.751  -3.326   7.796
  150    HA   GLU  20           HA       GLU  20  34.652  -4.947   9.197
  151    HB2  GLU  20           HB2      GLU  20  34.141  -5.177   6.253
  152    HB3  GLU  20           HB3      GLU  20  34.484  -6.446   7.421
  153    HG2  GLU  20           HG2      GLU  20  32.157  -5.557   8.403
  154    HG3  GLU  20           HG3      GLU  20  31.927  -5.170   6.699
  155    H    ARG  21           H        ARG  21  34.796  -2.744   6.422
  156    HA   ARG  21           HA       ARG  21  37.477  -3.125   5.747
  157    HB2  ARG  21           HB2      ARG  21  35.438  -1.041   5.270
  158    HB3  ARG  21           HB3      ARG  21  37.108  -0.514   5.116
  159    HG2  ARG  21           HG2      ARG  21  36.889  -2.968   3.744
  160    HG3  ARG  21           HG3      ARG  21  35.511  -1.973   3.268
  161    HD2  ARG  21           HD2      ARG  21  37.308  -0.101   3.022
  162    HD3  ARG  21           HD3      ARG  21  38.435  -1.454   2.935
  163    HE   ARG  21           HE       ARG  21  36.236  -1.782   1.151
  164   HH11  ARG  21          HH11      ARG  21  39.289  -0.161   1.566
  165   HH12  ARG  21          HH12      ARG  21  39.591  -0.014  -0.133
  166   HH21  ARG  21          HH21      ARG  21  36.622  -1.593  -1.090
  167   HH22  ARG  21          HH22      ARG  21  38.072  -0.828  -1.643
  168    H    ALA  22           H        ALA  22  35.996  -1.173   8.249
  169    HA   ALA  22           HA       ALA  22  38.124   0.496   8.911
  170    HB1  ALA  22           HB1      ALA  22  36.318  -0.668  11.000
  171    HB2  ALA  22           HB2      ALA  22  37.002   0.955  10.899
  172    HB3  ALA  22           HB3      ALA  22  35.710   0.473   9.800
  173    H    VAL  23           H        VAL  23  37.357  -2.761  10.106
  174    HA   VAL  23           HA       VAL  23  39.735  -2.865  11.736
  175    HB   VAL  23           HB       VAL  23  38.071  -5.261  11.029
  176   HG11  VAL  23          HG11      VAL  23  40.269  -4.922  12.631
  177   HG12  VAL  23          HG12      VAL  23  38.936  -4.832  13.784
  178   HG13  VAL  23          HG13      VAL  23  39.112  -6.248  12.746
  179   HG21  VAL  23          HG21      VAL  23  36.696  -4.632  13.078
  180   HG22  VAL  23          HG22      VAL  23  37.348  -3.006  12.880
  181   HG23  VAL  23          HG23      VAL  23  36.379  -3.730  11.597
  182    H    LEU  24           H        LEU  24  38.669  -4.128   8.628
  183    HA   LEU  24           HA       LEU  24  40.649  -5.982   8.103
  184    HB2  LEU  24           HB2      LEU  24  38.575  -4.913   6.705
  185    HB3  LEU  24           HB3      LEU  24  39.957  -4.256   5.831
  186    HG   LEU  24           HG       LEU  24  40.631  -6.891   6.012
  187   HD11  LEU  24          HD11      LEU  24  37.684  -6.656   6.189
  188   HD12  LEU  24          HD12      LEU  24  38.762  -7.918   6.785
  189   HD13  LEU  24          HD13      LEU  24  38.337  -7.858   5.075
  190   HD21  LEU  24          HD21      LEU  24  39.385  -6.865   3.638
  191   HD22  LEU  24          HD22      LEU  24  40.927  -6.060   3.931
  192   HD23  LEU  24          HD23      LEU  24  39.426  -5.133   3.968
  193    H    GLY  25           H        GLY  25  40.794  -2.481   7.970
  194    HA2  GLY  25           HA2      GLY  25  43.560  -2.628   6.977
  195    HA3  GLY  25           HA3      GLY  25  42.548  -1.191   6.966
  196    H    GLY  26           H        GLY  26  41.624  -1.503   9.694
  197    HA2  GLY  26           HA2      GLY  26  42.578  -1.540  11.908
  198    HA3  GLY  26           HA3      GLY  26  44.133  -1.134  11.196
  199    H    SER  27           H        SER  27  42.689   0.875   9.439
  200    HA   SER  27           HA       SER  27  43.241   3.163  10.922
  201    HB2  SER  27           HB2      SER  27  41.159   3.277   8.779
  202    HB3  SER  27           HB3      SER  27  42.509   4.368   9.089
  203    HG   SER  27           HG       SER  27  43.310   3.281   7.448
  204    H    ARG  28           H        ARG  28  41.675   4.893  11.520
  205    HA   ARG  28           HA       ARG  28  38.980   4.162  12.154
  206    HB2  ARG  28           HB2      ARG  28  39.338   4.570  14.653
  207    HB3  ARG  28           HB3      ARG  28  39.850   3.015  14.011
  208    HG2  ARG  28           HG2      ARG  28  42.011   3.391  14.475
  209    HG3  ARG  28           HG3      ARG  28  41.923   5.089  14.004
  210    HD2  ARG  28           HD2      ARG  28  40.368   4.665  16.370
  211    HD3  ARG  28           HD3      ARG  28  41.987   4.006  16.604
  212    HE   ARG  28           HE       ARG  28  42.026   6.627  15.463
  213   HH11  ARG  28          HH11      ARG  28  41.732   4.852  18.444
  214   HH12  ARG  28          HH12      ARG  28  42.321   6.151  19.427
  215   HH21  ARG  28          HH21      ARG  28  42.803   8.344  16.747
  216   HH22  ARG  28          HH22      ARG  28  42.930   8.137  18.461
  217    H    ASP  29           H        ASP  29  38.517   6.046  10.997
  218    HA   ASP  29           HA       ASP  29  39.645   8.565  11.428
  219    HB2  ASP  29           HB2      ASP  29  37.287   7.489  10.063
  220    HB3  ASP  29           HB3      ASP  29  37.055   9.126  10.671
  221    H    TYR  30           H        TYR  30  36.285   7.849  12.320
  222    HA   TYR  30           HA       TYR  30  36.432   8.263  15.049
  223    HB2  TYR  30           HB2      TYR  30  36.947  10.664  13.675
  224    HB3  TYR  30           HB3      TYR  30  35.304  10.806  14.290
  225    HD1  TYR  30           HD2      TYR  30  38.174   9.017  15.833
  226    HD2  TYR  30           HD1      TYR  30  35.536  12.349  16.038
  227    HE1  TYR  30           HE2      TYR  30  39.061   9.575  18.059
  228    HE2  TYR  30           HE1      TYR  30  36.416  12.917  18.263
  229    HH   TYR  30           HH       TYR  30  38.398  10.791  20.053
  230    H    ASN  31           H        ASN  31  34.538   9.194  12.196
  231    HA   ASN  31           HA       ASN  31  32.382   7.506  12.798
  232    HB2  ASN  31           HB2      ASN  31  30.760   8.867  13.756
  233    HB3  ASN  31           HB3      ASN  31  32.217   9.402  14.590
  234   HD21  ASN  31          HD21      ASN  31  33.113  11.403  14.080
  235   HD22  ASN  31          HD22      ASN  31  32.216  12.616  13.238
  236    H    LYS  32           H        LYS  32  33.501  10.451  11.250
  237    HA   LYS  32           HA       LYS  32  31.560  10.189   9.098
  238    HB2  LYS  32           HB2      LYS  32  33.705  12.217   9.712
  239    HB3  LYS  32           HB3      LYS  32  32.793  12.236   8.209
  240    HG2  LYS  32           HG2      LYS  32  30.716  12.492   9.470
  241    HG3  LYS  32           HG3      LYS  32  31.633  12.474  10.979
  242    HD2  LYS  32           HD2      LYS  32  32.228  14.621  10.759
  243    HD3  LYS  32           HD3      LYS  32  32.641  14.419   9.055
  244    HE2  LYS  32           HE2      LYS  32  30.455  14.843   8.354
  245    HE3  LYS  32           HE3      LYS  32  29.783  14.528   9.953
  246    HZ1  LYS  32           HZ1      LYS  32  31.284  16.575  10.563
  247    HZ2  LYS  32           HZ2      LYS  32  29.729  16.786   9.933
  248    HZ3  LYS  32           HZ3      LYS  32  31.078  16.941   8.924
  Start of MODEL   20
    1    H1   ARG   1           H        ARG   1   3.717  -4.202  -5.587
    2    HA   ARG   1           HA       ARG   1   2.642  -3.657  -3.032
    3    HB2  ARG   1           HB2      ARG   1   4.182  -6.251  -3.231
    4    HB3  ARG   1           HB3      ARG   1   3.557  -5.518  -1.760
    5    HG2  ARG   1           HG2      ARG   1   1.420  -5.841  -3.624
    6    HG3  ARG   1           HG3      ARG   1   2.289  -7.367  -3.456
    7    HD2  ARG   1           HD2      ARG   1   2.100  -7.112  -0.979
    8    HD3  ARG   1           HD3      ARG   1   1.071  -5.707  -1.256
    9    HE   ARG   1           HE       ARG   1  -0.655  -7.131  -1.682
   10   HH11  ARG   1          HH11      ARG   1   2.338  -8.858  -2.111
   11   HH12  ARG   1          HH12      ARG   1   1.568 -10.386  -2.381
   12   HH21  ARG   1          HH21      ARG   1  -1.679  -9.138  -2.037
   13   HH22  ARG   1          HH22      ARG   1  -0.717 -10.544  -2.340
   14    H    ARG   2           H        ARG   2   3.925  -2.065  -2.399
   15    HA   ARG   2           HA       ARG   2   6.637  -1.858  -3.361
   16    HB2  ARG   2           HB2      ARG   2   6.650   0.287  -2.107
   17    HB3  ARG   2           HB3      ARG   2   5.319   0.159  -3.250
   18    HG2  ARG   2           HG2      ARG   2   4.317  -0.842  -0.847
   19    HG3  ARG   2           HG3      ARG   2   5.260   0.583  -0.407
   20    HD2  ARG   2           HD2      ARG   2   3.079   0.470  -2.488
   21    HD3  ARG   2           HD3      ARG   2   2.934   1.164  -0.874
   22    HE   ARG   2           HE       ARG   2   5.068   2.351  -2.333
   23   HH11  ARG   2          HH11      ARG   2   1.605   2.340  -1.977
   24   HH12  ARG   2          HH12      ARG   2   1.412   3.968  -2.538
   25   HH21  ARG   2          HH21      ARG   2   4.827   4.495  -3.073
   26   HH22  ARG   2          HH22      ARG   2   3.245   5.193  -3.161
   27    H    SER   3           H        SER   3   8.475  -2.254  -2.265
   28    HA   SER   3           HA       SER   3   8.678  -2.340   0.560
   29    HB2  SER   3           HB2      SER   3   7.955  -4.829  -0.823
   30    HB3  SER   3           HB3      SER   3   9.373  -4.975   0.216
   31    HG   SER   3           HG       SER   3   6.744  -4.210   0.909
   32    H    ARG   4           H        ARG   4  10.170  -4.446  -1.886
   33    HA   ARG   4           HA       ARG   4  12.797  -3.523  -1.088
   34    HB2  ARG   4           HB2      ARG   4  11.815  -5.651  -2.979
   35    HB3  ARG   4           HB3      ARG   4  13.514  -5.204  -2.894
   36    HG2  ARG   4           HG2      ARG   4  12.223  -5.810  -0.318
   37    HG3  ARG   4           HG3      ARG   4  12.401  -7.165  -1.435
   38    HD2  ARG   4           HD2      ARG   4  14.774  -6.791  -1.587
   39    HD3  ARG   4           HD3      ARG   4  14.642  -5.322  -0.621
   40    HE   ARG   4           HE       ARG   4  13.623  -7.325   0.956
   41   HH11  ARG   4          HH11      ARG   4  16.647  -6.685  -0.645
   42   HH12  ARG   4          HH12      ARG   4  17.598  -7.536   0.528
   43   HH21  ARG   4          HH21      ARG   4  14.863  -8.447   2.507
   44   HH22  ARG   4          HH22      ARG   4  16.582  -8.538   2.320
   45    H    LYS   5           H        LYS   5  11.690  -1.345  -2.026
   46    HA   LYS   5           HA       LYS   5  13.296  -0.637  -4.255
   47    HB2  LYS   5           HB2      LYS   5  10.644  -1.618  -4.822
   48    HB3  LYS   5           HB3      LYS   5  10.775   0.072  -5.289
   49    HG2  LYS   5           HG2      LYS   5  13.048  -1.574  -6.114
   50    HG3  LYS   5           HG3      LYS   5  11.506  -2.045  -6.832
   51    HD2  LYS   5           HD2      LYS   5  11.390  -0.188  -8.096
   52    HD3  LYS   5           HD3      LYS   5  12.006   0.846  -6.805
   53    HE2  LYS   5           HE2      LYS   5  14.261   0.229  -7.292
   54    HE3  LYS   5           HE3      LYS   5  13.734  -1.028  -8.410
   55    HZ1  LYS   5           HZ1      LYS   5  13.729   0.446 -10.041
   56    HZ2  LYS   5           HZ2      LYS   5  14.303   1.634  -8.983
   57    HZ3  LYS   5           HZ3      LYS   5  12.639   1.436  -9.208
   58    H    ASN   6           H        ASN   6  10.426   0.159  -2.341
   59    HA   ASN   6           HA       ASN   6  10.444   2.928  -2.715
   60    HB2  ASN   6           HB2      ASN   6   9.037   1.057  -1.104
   61    HB3  ASN   6           HB3      ASN   6   9.619   2.335  -0.040
   62   HD21  ASN   6          HD21      ASN   6   8.351   4.024   0.160
   63   HD22  ASN   6          HD22      ASN   6   7.159   4.545  -0.977
   64    H    GLY   7           H        GLY   7  12.422   0.879  -0.717
   65    HA2  GLY   7           HA2      GLY   7  14.571   1.593   0.031
   66    HA3  GLY   7           HA3      GLY   7  13.974   3.246   0.070
   67    H    ILE   8           H        ILE   8  13.206   0.101   1.571
   68    HA   ILE   8           HA       ILE   8  12.031   1.172   3.882
   69    HB   ILE   8           HB       ILE   8  13.457  -1.479   3.632
   70   HG12  ILE   8          HG12      ILE   8  11.736  -1.182   1.893
   71   HG13  ILE   8          HG13      ILE   8  11.266  -2.409   3.064
   72   HG21  ILE   8          HG21      ILE   8  11.587  -2.025   5.376
   73   HG22  ILE   8          HG22      ILE   8  13.088  -1.257   5.889
   74   HG23  ILE   8          HG23      ILE   8  11.633  -0.286   5.667
   75   HD11  ILE   8          HD11      ILE   8   9.788  -0.202   2.222
   76   HD12  ILE   8          HD12      ILE   8   9.402  -1.318   3.532
   77   HD13  ILE   8          HD13      ILE   8  10.292   0.166   3.872
   78    H    GLY   9           H        GLY   9  15.337  -0.054   3.353
   79    HA2  GLY   9           HA2      GLY   9  16.252   1.734   5.494
   80    HA3  GLY   9           HA3      GLY   9  16.644   0.025   5.605
   81    H    TYR  10           H        TYR  10  16.514   1.609   2.514
   82    HA   TYR  10           HA       TYR  10  19.224   0.891   1.954
   83    HB2  TYR  10           HB2      TYR  10  17.074   2.339   0.434
   84    HB3  TYR  10           HB3      TYR  10  18.722   2.280  -0.181
   85    HD1  TYR  10           HD1      TYR  10  16.144  -0.057   1.195
   86    HD2  TYR  10           HD2      TYR  10  19.235   0.587  -1.657
   87    HE1  TYR  10           HE1      TYR  10  15.690  -2.266   0.214
   88    HE2  TYR  10           HE2      TYR  10  18.789  -1.621  -2.647
   89    HH   TYR  10           HH       TYR  10  17.780  -3.682  -2.169
   90    H    ALA  11           H        ALA  11  17.585   4.063   1.926
   91    HA   ALA  11           HA       ALA  11  19.930   5.595   1.797
   92    HB1  ALA  11           HB1      ALA  11  17.369   6.516   3.075
   93    HB2  ALA  11           HB2      ALA  11  18.574   7.480   2.222
   94    HB3  ALA  11           HB3      ALA  11  17.558   6.347   1.330
   95    H    ILE  12           H        ILE  12  17.926   4.693   4.596
   96    HA   ILE  12           HA       ILE  12  19.434   6.025   6.546
   97    HB   ILE  12           HB       ILE  12  17.929   3.448   6.984
   98   HG12  ILE  12          HG12      ILE  12  16.306   5.632   7.687
   99   HG13  ILE  12          HG13      ILE  12  16.959   6.022   6.100
  100   HG21  ILE  12          HG21      ILE  12  18.578   5.769   8.796
  101   HG22  ILE  12          HG22      ILE  12  17.557   4.400   9.230
  102   HG23  ILE  12          HG23      ILE  12  19.265   4.147   8.874
  103   HD11  ILE  12          HD11      ILE  12  16.078   3.989   5.183
  104   HD12  ILE  12          HD12      ILE  12  15.549   3.455   6.779
  105   HD13  ILE  12          HD13      ILE  12  14.790   4.854   6.020
  106    H    GLY  13           H        GLY  13  19.596   2.647   5.431
  107    HA2  GLY  13           HA2      GLY  13  21.711   1.881   7.145
  108    HA3  GLY  13           HA3      GLY  13  21.227   1.048   5.675
  109    H    TYR  14           H        TYR  14  21.665   3.469   4.035
  110    HA   TYR  14           HA       TYR  14  24.262   2.958   3.173
  111    HB2  TYR  14           HB2      TYR  14  22.355   4.166   1.948
  112    HB3  TYR  14           HB3      TYR  14  22.899   5.617   2.784
  113    HD1  TYR  14           HD2      TYR  14  25.165   6.525   2.328
  114    HD2  TYR  14           HD1      TYR  14  23.558   3.285   0.087
  115    HE1  TYR  14           HE2      TYR  14  26.857   6.901   0.583
  116    HE2  TYR  14           HE1      TYR  14  25.246   3.651  -1.664
  117    HH   TYR  14           HH       TYR  14  27.969   5.295  -1.277
  118    H    ALA  15           H        ALA  15  23.067   5.702   5.106
  119    HA   ALA  15           HA       ALA  15  25.642   6.824   5.532
  120    HB1  ALA  15           HB1      ALA  15  23.862   8.323   5.740
  121    HB2  ALA  15           HB2      ALA  15  22.963   7.249   6.813
  122    HB3  ALA  15           HB3      ALA  15  24.409   8.071   7.397
  123    H    PHE  16           H        PHE  16  23.575   4.671   7.432
  124    HA   PHE  16           HA       PHE  16  25.049   4.628   9.794
  125    HB2  PHE  16           HB2      PHE  16  22.987   2.975   8.544
  126    HB3  PHE  16           HB3      PHE  16  24.076   2.051   9.573
  127    HD1  PHE  16           HD2      PHE  16  24.657   3.577  11.829
  128    HD2  PHE  16           HD1      PHE  16  21.036   3.526   9.593
  129    HE1  PHE  16           HE2      PHE  16  23.423   4.337  13.817
  130    HE2  PHE  16           HE1      PHE  16  19.796   4.287  11.578
  131    HZ   PHE  16           HZ       PHE  16  20.990   4.693  13.694
  132    H    GLY  17           H        GLY  17  25.289   2.475   6.967
  133    HA2  GLY  17           HA2      GLY  17  27.311   0.807   7.881
  134    HA3  GLY  17           HA3      GLY  17  27.032   1.199   6.191
  135    H    ALA  18           H        ALA  18  27.546   4.032   6.502
  136    HA   ALA  18           HA       ALA  18  30.394   3.963   6.209
  137    HB1  ALA  18           HB1      ALA  18  28.561   6.356   6.279
  138    HB2  ALA  18           HB2      ALA  18  30.215   6.311   5.668
  139    HB3  ALA  18           HB3      ALA  18  28.944   5.413   4.838
  140    H    VAL  19           H        VAL  19  28.148   5.311   8.597
  141    HA   VAL  19           HA       VAL  19  29.928   6.702  10.196
  142    HB   VAL  19           HB       VAL  19  27.488   5.136  11.042
  143   HG11  VAL  19          HG11      VAL  19  27.600   6.940  12.934
  144   HG12  VAL  19          HG12      VAL  19  28.541   5.452  13.063
  145   HG13  VAL  19          HG13      VAL  19  29.320   6.948  12.545
  146   HG21  VAL  19          HG21      VAL  19  27.129   7.948  11.130
  147   HG22  VAL  19          HG22      VAL  19  27.812   7.538   9.557
  148   HG23  VAL  19          HG23      VAL  19  26.319   6.771  10.097
  149    H    GLU  20           H        GLU  20  29.413   3.266   9.920
  150    HA   GLU  20           HA       GLU  20  30.802   2.572  12.327
  151    HB2  GLU  20           HB2      GLU  20  30.458   0.689  10.021
  152    HB3  GLU  20           HB3      GLU  20  30.426   0.347  11.745
  153    HG2  GLU  20           HG2      GLU  20  28.296   1.990  11.529
  154    HG3  GLU  20           HG3      GLU  20  28.274   1.213   9.947
  155    H    ARG  21           H        ARG  21  31.628   2.629   8.880
  156    HA   ARG  21           HA       ARG  21  34.192   1.545   9.060
  157    HB2  ARG  21           HB2      ARG  21  32.729   3.227   7.113
  158    HB3  ARG  21           HB3      ARG  21  34.484   3.264   6.998
  159    HG2  ARG  21           HG2      ARG  21  34.625   1.012   6.463
  160    HG3  ARG  21           HG3      ARG  21  33.022   0.658   7.113
  161    HD2  ARG  21           HD2      ARG  21  32.028   1.118   5.168
  162    HD3  ARG  21           HD3      ARG  21  32.940   2.614   4.970
  163    HE   ARG  21           HE       ARG  21  34.691   0.548   4.413
  164   HH11  ARG  21          HH11      ARG  21  31.693   1.781   3.142
  165   HH12  ARG  21          HH12      ARG  21  32.018   1.266   1.521
  166   HH21  ARG  21          HH21      ARG  21  35.130  -0.135   2.282
  167   HH22  ARG  21          HH22      ARG  21  33.972   0.175   1.032
  168    H    ALA  22           H        ALA  22  33.021   4.774   9.713
  169    HA   ALA  22           HA       ALA  22  35.472   6.144   9.712
  170    HB1  ALA  22           HB1      ALA  22  34.131   7.866  10.106
  171    HB2  ALA  22           HB2      ALA  22  32.783   6.744  10.298
  172    HB3  ALA  22           HB3      ALA  22  33.733   7.230  11.702
  173    H    VAL  23           H        VAL  23  33.733   4.479  12.321
  174    HA   VAL  23           HA       VAL  23  35.799   5.051  14.251
  175    HB   VAL  23           HB       VAL  23  33.651   2.992  14.643
  176   HG11  VAL  23          HG11      VAL  23  34.307   4.900  16.763
  177   HG12  VAL  23          HG12      VAL  23  34.165   3.142  16.820
  178   HG13  VAL  23          HG13      VAL  23  35.660   3.889  16.256
  179   HG21  VAL  23          HG21      VAL  23  32.317   4.991  15.585
  180   HG22  VAL  23          HG22      VAL  23  33.348   5.971  14.543
  181   HG23  VAL  23          HG23      VAL  23  32.319   4.723  13.842
  182    H    LEU  24           H        LEU  24  34.939   2.438  12.108
  183    HA   LEU  24           HA       LEU  24  36.336   0.332  13.284
  184    HB2  LEU  24           HB2      LEU  24  34.837   0.641  11.044
  185    HB3  LEU  24           HB3      LEU  24  36.447   0.466  10.349
  186    HG   LEU  24           HG       LEU  24  36.424  -1.630  12.054
  187   HD11  LEU  24          HD11      LEU  24  34.036  -2.604  11.334
  188   HD12  LEU  24          HD12      LEU  24  33.614  -0.901  11.514
  189   HD13  LEU  24          HD13      LEU  24  34.322  -1.781  12.868
  190   HD21  LEU  24          HD21      LEU  24  35.125  -2.046   9.415
  191   HD22  LEU  24          HD22      LEU  24  36.464  -2.912  10.168
  192   HD23  LEU  24          HD23      LEU  24  36.735  -1.326   9.445
  193    H    GLY  25           H        GLY  25  37.463   3.046  11.396
  194    HA2  GLY  25           HA2      GLY  25  40.214   2.287  12.033
  195    HA3  GLY  25           HA3      GLY  25  39.814   2.500  10.335
  196    H    GLY  26           H        GLY  26  39.672   4.179  13.467
  197    HA2  GLY  26           HA2      GLY  26  40.898   6.518  12.402
  198    HA3  GLY  26           HA3      GLY  26  39.164   6.748  12.575
  199    H    SER  27           H        SER  27  38.731   5.270  14.913
  200    HA   SER  27           HA       SER  27  39.375   7.187  16.875
  201    HB2  SER  27           HB2      SER  27  37.527   5.230  16.723
  202    HB3  SER  27           HB3      SER  27  38.698   4.445  17.783
  203    HG   SER  27           HG       SER  27  38.047   5.693  19.331
  204    H    ARG  28           H        ARG  28  41.065   4.430  15.698
  205    HA   ARG  28           HA       ARG  28  43.329   5.039  17.374
  206    HB2  ARG  28           HB2      ARG  28  43.508   2.613  18.137
  207    HB3  ARG  28           HB3      ARG  28  42.305   3.610  18.944
  208    HG2  ARG  28           HG2      ARG  28  40.583   2.395  18.165
  209    HG3  ARG  28           HG3      ARG  28  41.339   2.137  16.592
  210    HD2  ARG  28           HD2      ARG  28  41.373   0.008  17.467
  211    HD3  ARG  28           HD3      ARG  28  42.962   0.606  17.943
  212    HE   ARG  28           HE       ARG  28  40.944   1.066  19.926
  213   HH11  ARG  28          HH11      ARG  28  43.207  -1.255  18.657
  214   HH12  ARG  28          HH12      ARG  28  43.333  -2.139  20.142
  215   HH21  ARG  28          HH21      ARG  28  41.102  -0.089  21.887
  216   HH22  ARG  28          HH22      ARG  28  42.134  -1.475  21.978
  217    H    ASP  29           H        ASP  29  44.861   5.145  15.873
  218    HA   ASP  29           HA       ASP  29  45.815   2.920  14.488
  219    HB2  ASP  29           HB2      ASP  29  43.587   4.172  13.197
  220    HB3  ASP  29           HB3      ASP  29  45.030   4.439  12.222
  221    H    TYR  30           H        TYR  30  47.539   3.488  12.919
  222    HA   TYR  30           HA       TYR  30  48.450   6.206  12.794
  223    HB2  TYR  30           HB2      TYR  30  49.145   4.919  15.103
  224    HB3  TYR  30           HB3      TYR  30  50.526   4.558  14.073
  225    HD1  TYR  30           HD2      TYR  30  48.373   7.579  14.574
  226    HD2  TYR  30           HD1      TYR  30  52.302   5.947  14.538
  227    HE1  TYR  30           HE2      TYR  30  49.297   9.809  15.042
  228    HE2  TYR  30           HE1      TYR  30  53.237   8.172  15.007
  229    HH   TYR  30           HH       TYR  30  52.665  10.279  15.804
  230    H    ASN  31           H        ASN  31  51.124   5.789  12.257
  231    HA   ASN  31           HA       ASN  31  51.130   5.027   9.596
  232    HB2  ASN  31           HB2      ASN  31  53.100   5.789  11.576
  233    HB3  ASN  31           HB3      ASN  31  53.736   4.540  10.509
  234   HD21  ASN  31          HD21      ASN  31  53.008   7.819  10.868
  235   HD22  ASN  31          HD22      ASN  31  53.348   8.323   9.251
  236    H    LYS  32           H        LYS  32  52.302   3.148  12.388
  237    HA   LYS  32           HA       LYS  32  52.561   0.912  12.718
  238    HB2  LYS  32           HB2      LYS  32  50.116   1.164  11.586
  239    HB3  LYS  32           HB3      LYS  32  50.899   0.129  10.399
  240    HG2  LYS  32           HG2      LYS  32  51.439  -1.481  12.153
  241    HG3  LYS  32           HG3      LYS  32  50.659  -0.441  13.347
  242    HD2  LYS  32           HD2      LYS  32  48.628  -1.194  12.804
  243    HD3  LYS  32           HD3      LYS  32  48.933  -0.982  11.078
  244    HE2  LYS  32           HE2      LYS  32  50.060  -3.114  10.975
  245    HE3  LYS  32           HE3      LYS  32  49.925  -3.309  12.722
  246    HZ1  LYS  32           HZ1      LYS  32  47.717  -3.306  10.741
  247    HZ2  LYS  32           HZ2      LYS  32  47.471  -3.260  12.414
  248    HZ3  LYS  32           HZ3      LYS  32  48.228  -4.598  11.707