NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594021 | 2ms8 | 25109 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -1 HT1 GLY -1 -8.179 -9.514 5.354 2 H2 GLY -1 HT2 GLY -1 -7.858 -10.891 6.202 3 H3 GLY -1 HT3 GLY -1 -8.632 -9.607 6.989 4 HA2 GLY -1 HA1 GLY -1 -10.246 -11.313 6.476 5 HA3 GLY -1 HA2 GLY -1 -10.519 -9.934 5.412 6 H SER 0 HN SER 0 -11.580 -11.851 4.233 7 HA SER 0 HA SER 0 -9.591 -13.074 2.459 8 HB2 SER 0 HB2 SER 0 -12.277 -14.134 3.350 9 HB3 SER 0 HB1 SER 0 -11.233 -14.904 2.155 10 HG SER 0 HG SER 0 -10.417 -14.327 4.819 11 H MET 1 HN MET 1 -10.227 -13.258 0.227 12 HA MET 1 HA MET 1 -10.932 -12.567 -1.668 13 HB2 MET 1 HB2 MET 1 -13.544 -12.317 -0.224 14 HB3 MET 1 HB1 MET 1 -13.382 -12.139 -1.969 15 HG2 MET 1 HG2 MET 1 -12.612 -14.548 -0.362 16 HG3 MET 1 HG1 MET 1 -14.073 -14.398 -1.326 17 HE1 MET 1 HE1 MET 1 -12.836 -12.776 -3.910 18 HE2 MET 1 HE2 MET 1 -14.018 -14.079 -3.990 19 HE3 MET 1 HE3 MET 1 -12.553 -14.160 -4.968 20 HA PRO 2 HA PRO 2 -10.259 -8.235 -0.993 21 HB2 PRO 2 HB2 PRO 2 -8.267 -7.941 -2.782 22 HB3 PRO 2 HB1 PRO 2 -8.029 -8.755 -1.217 23 HG2 PRO 2 HG2 PRO 2 -8.431 -9.988 -3.904 24 HG3 PRO 2 HG1 PRO 2 -7.251 -10.405 -2.648 25 HD2 PRO 2 HD2 PRO 2 -9.646 -11.714 -3.025 26 HD3 PRO 2 HD1 PRO 2 -8.768 -11.660 -1.486 27 H PHE 3 HN PHE 3 -11.738 -6.977 -1.817 28 HA PHE 3 HA PHE 3 -12.300 -7.153 -4.702 29 HB2 PHE 3 HB2 PHE 3 -14.145 -8.147 -3.338 30 HB3 PHE 3 HB1 PHE 3 -14.305 -6.599 -2.508 31 HD1 PHE 3 HD2 PHE 3 -14.493 -8.153 -5.875 32 HD2 PHE 3 HD1 PHE 3 -15.728 -4.964 -3.339 33 HE1 PHE 3 HE2 PHE 3 -16.062 -7.384 -7.604 34 HE2 PHE 3 HE1 PHE 3 -17.295 -4.195 -5.068 35 HZ PHE 3 HZ PHE 3 -17.461 -5.403 -7.195 36 H ALA 4 HN ALA 4 -12.991 -5.112 -1.904 37 HA ALA 4 HA ALA 4 -12.811 -2.686 -3.464 38 HB1 ALA 4 HB1 ALA 4 -13.055 -3.206 -0.491 39 HB2 ALA 4 HB2 ALA 4 -14.339 -2.665 -1.598 40 HB3 ALA 4 HB3 ALA 4 -13.018 -1.602 -1.205 41 H GLU 5 HN GLU 5 -10.941 -4.614 -1.314 42 HA GLU 5 HA GLU 5 -8.735 -2.866 -0.997 43 HB2 GLU 5 HB2 GLU 5 -8.535 -5.859 -0.768 44 HB3 GLU 5 HB1 GLU 5 -7.714 -4.631 0.179 45 HG2 GLU 5 HG2 GLU 5 -9.254 -5.300 1.756 46 HG3 GLU 5 HG1 GLU 5 -10.214 -4.098 0.915 47 H ASP 6 HN ASP 6 -9.761 -5.048 -3.442 48 HA ASP 6 HA ASP 6 -7.179 -5.320 -4.733 49 HB2 ASP 6 HB2 ASP 6 -8.908 -7.101 -4.929 50 HB3 ASP 6 HB1 ASP 6 -9.966 -5.966 -5.757 51 H LYS 7 HN LYS 7 -10.234 -3.637 -5.245 52 HA LYS 7 HA LYS 7 -9.491 -2.195 -7.519 53 HB2 LYS 7 HB2 LYS 7 -11.527 -1.536 -5.402 54 HB3 LYS 7 HB1 LYS 7 -11.341 -0.634 -6.898 55 HG2 LYS 7 HG2 LYS 7 -11.807 -2.720 -8.153 56 HG3 LYS 7 HG1 LYS 7 -12.115 -3.526 -6.615 57 HD2 LYS 7 HD2 LYS 7 -13.901 -1.960 -6.133 58 HD3 LYS 7 HD1 LYS 7 -13.559 -1.103 -7.637 59 HE2 LYS 7 HE2 LYS 7 -14.536 -3.955 -7.405 60 HE3 LYS 7 HE1 LYS 7 -15.505 -2.567 -7.874 61 HZ1 LYS 7 HZ1 LYS 7 -13.998 -2.281 -9.804 62 HZ2 LYS 7 HZ2 LYS 7 -14.855 -3.716 -9.832 63 HZ3 LYS 7 HZ3 LYS 7 -13.236 -3.737 -9.395 64 H THR 8 HN THR 8 -8.940 -1.557 -4.123 65 HA THR 8 HA THR 8 -8.161 1.114 -4.330 66 HB THR 8 HB THR 8 -7.066 -0.949 -2.373 67 HG1 THR 8 HG1 THR 8 -9.462 -0.594 -2.421 68 HG21 THR 8 HG21 THR 8 -6.625 0.981 -0.921 69 HG22 THR 8 HG22 THR 8 -7.225 2.068 -2.170 70 HG23 THR 8 HG23 THR 8 -5.749 1.144 -2.444 71 H TYR 9 HN TYR 9 -6.285 -1.854 -4.779 72 HA TYR 9 HA TYR 9 -3.744 -0.737 -5.160 73 HB2 TYR 9 HB2 TYR 9 -3.993 -3.124 -4.898 74 HB3 TYR 9 HB1 TYR 9 -5.010 -3.224 -6.328 75 HD1 TYR 9 HD2 TYR 9 -1.542 -2.587 -5.174 76 HD2 TYR 9 HD1 TYR 9 -4.037 -3.536 -8.485 77 HE1 TYR 9 HE2 TYR 9 0.449 -3.106 -6.531 78 HE2 TYR 9 HE1 TYR 9 -2.052 -4.064 -9.838 79 HH TYR 9 HH TYR 9 0.326 -3.582 -9.905 80 H LYS 10 HN LYS 10 -6.290 -1.472 -7.461 81 HA LYS 10 HA LYS 10 -4.861 -0.582 -9.735 82 HB2 LYS 10 HB2 LYS 10 -7.803 -1.079 -9.300 83 HB3 LYS 10 HB1 LYS 10 -7.094 -0.702 -10.866 84 HG2 LYS 10 HG2 LYS 10 -5.755 -2.712 -10.802 85 HG3 LYS 10 HG1 LYS 10 -6.316 -3.068 -9.166 86 HD2 LYS 10 HD2 LYS 10 -8.569 -3.390 -9.964 87 HD3 LYS 10 HD1 LYS 10 -8.090 -2.861 -11.579 88 HE2 LYS 10 HE2 LYS 10 -8.296 -5.320 -11.428 89 HE3 LYS 10 HE1 LYS 10 -6.675 -4.800 -11.849 90 HZ1 LYS 10 HZ1 LYS 10 -6.675 -6.582 -10.235 91 HZ2 LYS 10 HZ2 LYS 10 -7.545 -5.673 -9.121 92 HZ3 LYS 10 HZ3 LYS 10 -5.976 -5.207 -9.588 93 H TYR 11 HN TYR 11 -7.018 0.988 -7.502 94 HA TYR 11 HA TYR 11 -7.468 3.401 -8.921 95 HB2 TYR 11 HB2 TYR 11 -8.605 2.382 -6.742 96 HB3 TYR 11 HB1 TYR 11 -7.316 3.225 -5.949 97 HD1 TYR 11 HD1 TYR 11 -7.067 5.774 -6.364 98 HD2 TYR 11 HD2 TYR 11 -10.579 3.560 -7.279 99 HE1 TYR 11 HE1 TYR 11 -8.385 7.845 -6.304 100 HE2 TYR 11 HE2 TYR 11 -11.902 5.623 -7.229 101 HH TYR 11 HH TYR 11 -11.735 7.816 -6.162 102 H ILE 12 HN ILE 12 -5.241 2.476 -6.324 103 HA ILE 12 HA ILE 12 -3.895 4.992 -6.263 104 HB ILE 12 HB ILE 12 -3.130 2.318 -5.040 105 HG12 ILE 12 HG12 ILE 12 -5.283 3.221 -4.259 106 HG13 ILE 12 HG11 ILE 12 -4.086 3.184 -2.961 107 HG21 ILE 12 HG21 ILE 12 -2.033 5.067 -4.426 108 HG22 ILE 12 HG22 ILE 12 -1.164 3.764 -5.233 109 HG23 ILE 12 HG23 ILE 12 -1.649 3.588 -3.547 110 HD11 ILE 12 HD11 ILE 12 -5.384 5.212 -2.850 111 HD12 ILE 12 HD12 ILE 12 -5.022 5.590 -4.529 112 HD13 ILE 12 HD13 ILE 12 -3.735 5.621 -3.321 113 H CYS 13 HN CYS 13 -3.398 2.074 -8.041 114 HA CYS 13 HA CYS 13 -0.772 2.470 -8.911 115 HB2 CYS 13 HB2 CYS 13 -2.136 0.430 -9.286 116 HB3 CYS 13 HB1 CYS 13 -3.116 1.310 -10.436 117 HG CYS 13 HG CYS 13 -1.759 0.476 -12.412 118 H ARG 14 HN ARG 14 -3.703 4.048 -9.734 119 HA ARG 14 HA ARG 14 -2.892 5.318 -12.184 120 HB2 ARG 14 HB2 ARG 14 -5.060 6.081 -10.235 121 HB3 ARG 14 HB1 ARG 14 -4.878 6.707 -11.861 122 HG2 ARG 14 HG2 ARG 14 -5.360 4.504 -12.786 123 HG3 ARG 14 HG1 ARG 14 -5.395 3.854 -11.139 124 HD2 ARG 14 HD2 ARG 14 -7.651 4.324 -12.117 125 HD3 ARG 14 HD1 ARG 14 -7.311 5.104 -10.572 126 HE ARG 14 HE ARG 14 -6.726 6.665 -12.920 127 HH11 ARG 14 HH11 ARG 14 -9.217 5.853 -10.538 128 HH12 ARG 14 HH12 ARG 14 -9.977 7.381 -10.615 129 HH21 ARG 14 HH21 ARG 14 -7.760 8.719 -13.022 130 HH22 ARG 14 HH22 ARG 14 -9.121 9.078 -12.058 131 H ASN 15 HN ASN 15 -2.463 5.975 -8.807 132 HA ASN 15 HA ASN 15 -1.382 8.618 -9.472 133 HB2 ASN 15 HB2 ASN 15 -2.273 9.535 -7.320 134 HB3 ASN 15 HB1 ASN 15 -3.555 8.873 -8.349 135 HD21 ASN 15 HD21 ASN 15 -4.618 7.034 -7.747 136 HD22 ASN 15 HD22 ASN 15 -4.527 6.484 -6.115 137 H PHE 16 HN PHE 16 -0.371 5.943 -9.113 138 HA PHE 16 HA PHE 16 1.304 5.481 -6.979 139 HB2 PHE 16 HB2 PHE 16 1.116 3.901 -8.813 140 HB3 PHE 16 HB1 PHE 16 1.832 5.046 -9.930 141 HD1 PHE 16 HD1 PHE 16 2.570 2.889 -6.990 142 HD2 PHE 16 HD2 PHE 16 4.159 5.105 -10.262 143 HE1 PHE 16 HE1 PHE 16 4.804 1.876 -6.610 144 HE2 PHE 16 HE2 PHE 16 6.369 4.095 -9.880 145 HZ PHE 16 HZ PHE 16 6.682 2.477 -8.059 146 H SER 17 HN SER 17 1.761 7.803 -9.573 147 HA SER 17 HA SER 17 4.394 8.557 -9.101 148 HB2 SER 17 HB2 SER 17 2.119 10.235 -10.163 149 HB3 SER 17 HB1 SER 17 3.841 10.469 -10.473 150 HG SER 17 HG SER 17 3.764 9.025 -11.948 151 H ASN 18 HN ASN 18 1.457 9.366 -7.375 152 HA ASN 18 HA ASN 18 2.497 11.707 -6.030 153 HB2 ASN 18 HB2 ASN 18 0.047 11.392 -6.468 154 HB3 ASN 18 HB1 ASN 18 0.073 9.982 -5.440 155 HD21 ASN 18 HD21 ASN 18 -1.609 10.982 -4.241 156 HD22 ASN 18 HD22 ASN 18 -1.268 12.210 -3.105 157 H PHE 19 HN PHE 19 2.167 8.287 -5.458 158 HA PHE 19 HA PHE 19 3.146 8.470 -2.757 159 HB2 PHE 19 HB2 PHE 19 2.305 6.163 -4.497 160 HB3 PHE 19 HB1 PHE 19 3.091 5.922 -2.941 161 HD1 PHE 19 HD1 PHE 19 0.127 7.456 -4.559 162 HD2 PHE 19 HD2 PHE 19 1.879 6.013 -0.962 163 HE1 PHE 19 HE1 PHE 19 -2.040 7.657 -3.420 164 HE2 PHE 19 HE2 PHE 19 -0.287 6.212 0.178 165 HZ PHE 19 HZ PHE 19 -2.248 7.040 -1.058 166 H CYS 20 HN CYS 20 4.572 8.634 -5.706 167 HA CYS 20 HA CYS 20 6.843 6.989 -5.123 168 HB2 CYS 20 HB2 CYS 20 6.018 7.537 -7.473 169 HB3 CYS 20 HB1 CYS 20 6.695 9.148 -7.243 170 HG CYS 20 HG CYS 20 8.796 6.742 -6.516 171 H ASN 21 HN ASN 21 5.810 9.678 -3.787 172 HA ASN 21 HA ASN 21 8.505 10.490 -2.968 173 HB2 ASN 21 HB2 ASN 21 7.174 12.282 -4.238 174 HB3 ASN 21 HB1 ASN 21 6.047 12.254 -2.885 175 HD21 ASN 21 HD21 ASN 21 6.728 13.048 -0.883 176 HD22 ASN 21 HD22 ASN 21 8.172 13.979 -0.736 177 H VAL 22 HN VAL 22 8.135 8.573 -1.688 178 HA VAL 22 HA VAL 22 7.101 9.338 0.919 179 HB VAL 22 HB VAL 22 5.268 7.964 -0.437 180 HG11 VAL 22 HG11 VAL 22 7.146 5.766 0.173 181 HG12 VAL 22 HG12 VAL 22 6.660 6.365 -1.425 182 HG13 VAL 22 HG13 VAL 22 5.470 5.602 -0.357 183 HG21 VAL 22 HG21 VAL 22 6.174 6.939 2.242 184 HG22 VAL 22 HG22 VAL 22 4.584 6.703 1.511 185 HG23 VAL 22 HG23 VAL 22 5.115 8.322 1.964 186 H ASP 23 HN ASP 23 7.964 7.673 2.527 187 HA ASP 23 HA ASP 23 10.412 6.481 1.465 188 HB2 ASP 23 HB2 ASP 23 10.539 8.049 3.568 189 HB3 ASP 23 HB1 ASP 23 9.716 6.733 4.364 190 H VAL 24 HN VAL 24 10.278 4.391 1.097 191 HA VAL 24 HA VAL 24 7.895 3.010 1.895 192 HB VAL 24 HB VAL 24 10.257 1.868 0.400 193 HG11 VAL 24 HG11 VAL 24 8.537 0.355 -0.589 194 HG12 VAL 24 HG12 VAL 24 7.334 1.110 0.423 195 HG13 VAL 24 HG13 VAL 24 8.639 0.167 1.172 196 HG21 VAL 24 HG21 VAL 24 7.820 3.214 -0.734 197 HG22 VAL 24 HG22 VAL 24 9.105 2.457 -1.676 198 HG23 VAL 24 HG23 VAL 24 9.442 3.906 -0.722 199 H VAL 25 HN VAL 25 11.169 3.158 3.063 200 HA VAL 25 HA VAL 25 10.878 0.630 4.413 201 HB VAL 25 HB VAL 25 13.042 0.944 5.474 202 HG11 VAL 25 HG11 VAL 25 12.956 -0.157 3.350 203 HG12 VAL 25 HG12 VAL 25 14.430 0.808 3.439 204 HG13 VAL 25 HG13 VAL 25 13.052 1.385 2.506 205 HG21 VAL 25 HG21 VAL 25 13.224 3.540 3.951 206 HG22 VAL 25 HG22 VAL 25 14.563 2.772 4.806 207 HG23 VAL 25 HG23 VAL 25 13.159 3.354 5.703 208 H GLU 26 HN GLU 26 10.675 3.988 5.296 209 HA GLU 26 HA GLU 26 10.382 3.672 8.026 210 HB2 GLU 26 HB2 GLU 26 9.324 5.644 6.045 211 HB3 GLU 26 HB1 GLU 26 9.101 5.879 7.742 212 HG2 GLU 26 HG2 GLU 26 11.718 5.723 6.273 213 HG3 GLU 26 HG1 GLU 26 10.978 7.163 6.963 214 H ILE 27 HN ILE 27 8.185 3.202 5.395 215 HA ILE 27 HA ILE 27 5.713 3.009 6.835 216 HB ILE 27 HB ILE 27 6.678 2.161 4.121 217 HG12 ILE 27 HG12 ILE 27 4.495 4.053 4.949 218 HG13 ILE 27 HG11 ILE 27 6.149 4.532 4.574 219 HG21 ILE 27 HG21 ILE 27 3.927 1.531 5.169 220 HG22 ILE 27 HG22 ILE 27 5.167 0.380 4.684 221 HG23 ILE 27 HG23 ILE 27 4.425 1.435 3.481 222 HD11 ILE 27 HD11 ILE 27 4.667 4.936 2.686 223 HD12 ILE 27 HD12 ILE 27 4.216 3.227 2.660 224 HD13 ILE 27 HD13 ILE 27 5.875 3.713 2.299 225 H LEU 28 HN LEU 28 8.190 0.669 6.045 226 HA LEU 28 HA LEU 28 6.804 -1.688 6.304 227 HB2 LEU 28 HB2 LEU 28 9.656 -1.253 7.169 228 HB3 LEU 28 HB1 LEU 28 8.913 -2.804 6.832 229 HG LEU 28 HG LEU 28 9.377 -0.597 4.836 230 HD11 LEU 28 HD11 LEU 28 11.028 -2.124 3.863 231 HD12 LEU 28 HD12 LEU 28 10.751 -3.256 5.185 232 HD13 LEU 28 HD13 LEU 28 11.449 -1.670 5.513 233 HD21 LEU 28 HD21 LEU 28 8.291 -3.381 4.450 234 HD22 LEU 28 HD22 LEU 28 8.700 -2.252 3.158 235 HD23 LEU 28 HD23 LEU 28 7.393 -1.872 4.275 236 HA PRO 29 HA PRO 29 7.413 -2.094 11.061 237 HB2 PRO 29 HB2 PRO 29 8.066 0.080 12.525 238 HB3 PRO 29 HB1 PRO 29 9.290 -0.981 11.818 239 HG2 PRO 29 HG2 PRO 29 8.244 1.636 10.802 240 HG3 PRO 29 HG1 PRO 29 9.922 1.070 10.917 241 HD2 PRO 29 HD2 PRO 29 8.547 0.999 8.604 242 HD3 PRO 29 HD1 PRO 29 9.749 -0.233 9.038 243 H TYR 30 HN TYR 30 5.842 0.432 9.434 244 HA TYR 30 HA TYR 30 3.894 0.850 11.559 245 HB2 TYR 30 HB2 TYR 30 4.754 2.384 9.160 246 HB3 TYR 30 HB1 TYR 30 3.205 2.755 9.849 247 HD1 TYR 30 HD2 TYR 30 3.484 2.960 12.625 248 HD2 TYR 30 HD1 TYR 30 6.449 3.800 9.708 249 HE1 TYR 30 HE2 TYR 30 4.624 4.437 14.220 250 HE2 TYR 30 HE1 TYR 30 7.598 5.276 11.291 251 HH TYR 30 HH TYR 30 6.940 6.645 13.344 252 H LEU 31 HN LEU 31 4.338 -1.170 8.980 253 HA LEU 31 HA LEU 31 1.474 -1.312 8.418 254 HB2 LEU 31 HB2 LEU 31 2.778 -0.229 6.628 255 HB3 LEU 31 HB1 LEU 31 3.811 -1.635 6.553 256 HG LEU 31 HG LEU 31 1.862 -2.944 5.991 257 HD11 LEU 31 HD11 LEU 31 0.575 -0.280 5.646 258 HD12 LEU 31 HD12 LEU 31 0.088 -1.542 6.781 259 HD13 LEU 31 HD13 LEU 31 -0.109 -1.785 5.040 260 HD21 LEU 31 HD21 LEU 31 1.800 -2.230 3.630 261 HD22 LEU 31 HD22 LEU 31 3.433 -2.302 4.299 262 HD23 LEU 31 HD23 LEU 31 2.629 -0.746 4.098 263 HA PRO 32 HA PRO 32 2.961 -5.481 9.717 264 HB2 PRO 32 HB2 PRO 32 1.401 -5.847 11.776 265 HB3 PRO 32 HB1 PRO 32 2.636 -4.585 11.836 266 HG2 PRO 32 HG2 PRO 32 -0.313 -4.328 11.449 267 HG3 PRO 32 HG1 PRO 32 0.797 -3.262 12.324 268 HD2 PRO 32 HD2 PRO 32 -0.124 -2.964 9.637 269 HD3 PRO 32 HD1 PRO 32 1.126 -2.005 10.462 270 H CYS 33 HN CYS 33 0.935 -5.123 7.494 271 HA CYS 33 HA CYS 33 -0.961 -7.253 8.187 272 HB2 CYS 33 HB2 CYS 33 -2.139 -6.502 6.069 273 HB3 CYS 33 HB1 CYS 33 -2.074 -5.364 7.417 274 HG CYS 33 HG CYS 33 -1.759 -3.803 5.195 275 H LEU 34 HN LEU 34 1.947 -7.146 6.981 276 HA LEU 34 HA LEU 34 1.442 -9.314 5.052 277 HB2 LEU 34 HB2 LEU 34 3.727 -7.378 5.048 278 HB3 LEU 34 HB1 LEU 34 3.563 -8.757 3.980 279 HG LEU 34 HG LEU 34 1.272 -7.543 3.452 280 HD11 LEU 34 HD11 LEU 34 1.540 -5.152 3.335 281 HD12 LEU 34 HD12 LEU 34 3.093 -5.275 4.154 282 HD13 LEU 34 HD13 LEU 34 1.613 -5.732 5.000 283 HD21 LEU 34 HD21 LEU 34 2.330 -6.704 1.464 284 HD22 LEU 34 HD22 LEU 34 2.988 -8.270 1.936 285 HD23 LEU 34 HD23 LEU 34 3.914 -6.798 2.252 286 H THR 35 HN THR 35 3.426 -10.758 4.777 287 HA THR 35 HA THR 35 4.183 -11.831 7.263 288 HB THR 35 HB THR 35 5.644 -12.513 4.803 289 HG1 THR 35 HG1 THR 35 3.971 -12.405 3.607 290 HG21 THR 35 HG21 THR 35 3.869 -14.076 6.664 291 HG22 THR 35 HG22 THR 35 5.625 -13.926 6.814 292 HG23 THR 35 HG23 THR 35 4.921 -14.775 5.433 293 H ALA 36 HN ALA 36 6.431 -11.896 7.970 294 HA ALA 36 HA ALA 36 7.824 -9.482 7.852 295 HB1 ALA 36 HB1 ALA 36 9.635 -10.621 8.985 296 HB2 ALA 36 HB2 ALA 36 8.970 -12.182 8.527 297 HB3 ALA 36 HB3 ALA 36 8.087 -11.149 9.651 298 H ARG 37 HN ARG 37 8.258 -12.446 6.042 299 HA ARG 37 HA ARG 37 10.608 -11.836 4.670 300 HB2 ARG 37 HB2 ARG 37 9.507 -14.066 4.744 301 HB3 ARG 37 HB1 ARG 37 8.275 -13.463 3.650 302 HG2 ARG 37 HG2 ARG 37 9.996 -13.091 1.940 303 HG3 ARG 37 HG1 ARG 37 11.210 -13.737 3.045 304 HD2 ARG 37 HD2 ARG 37 9.915 -15.850 3.149 305 HD3 ARG 37 HD1 ARG 37 8.828 -15.193 1.927 306 HE ARG 37 HE ARG 37 11.516 -15.066 1.071 307 HH11 ARG 37 HH11 ARG 37 8.801 -17.314 1.408 308 HH12 ARG 37 HH12 ARG 37 9.389 -18.431 0.273 309 HH21 ARG 37 HH21 ARG 37 12.311 -16.563 -0.487 310 HH22 ARG 37 HH22 ARG 37 11.453 -17.986 -0.856 311 H ASP 38 HN ASP 38 7.250 -11.008 3.915 312 HA ASP 38 HA ASP 38 7.691 -9.941 1.325 313 HB2 ASP 38 HB2 ASP 38 5.526 -9.478 3.370 314 HB3 ASP 38 HB1 ASP 38 5.502 -8.618 1.851 315 H GLN 39 HN GLN 39 7.602 -8.508 4.522 316 HA GLN 39 HA GLN 39 8.062 -5.847 3.634 317 HB2 GLN 39 HB2 GLN 39 8.418 -7.092 6.346 318 HB3 GLN 39 HB1 GLN 39 8.477 -5.364 6.018 319 HG2 GLN 39 HG2 GLN 39 6.111 -7.173 5.570 320 HG3 GLN 39 HG1 GLN 39 6.336 -6.022 6.885 321 HE21 GLN 39 HE21 GLN 39 5.694 -6.353 3.461 322 HE22 GLN 39 HE22 GLN 39 5.167 -4.724 3.249 323 H ASP 40 HN ASP 40 10.078 -8.442 4.801 324 HA ASP 40 HA ASP 40 12.537 -7.096 5.026 325 HB2 ASP 40 HB2 ASP 40 11.992 -9.367 5.920 326 HB3 ASP 40 HB1 ASP 40 12.065 -9.977 4.281 327 H ARG 41 HN ARG 41 10.986 -8.765 2.366 328 HA ARG 41 HA ARG 41 12.988 -8.584 0.420 329 HB2 ARG 41 HB2 ARG 41 11.019 -9.950 0.075 330 HB3 ARG 41 HB1 ARG 41 9.984 -8.533 0.142 331 HG2 ARG 41 HG2 ARG 41 10.965 -7.695 -1.896 332 HG3 ARG 41 HG1 ARG 41 12.042 -9.092 -1.975 333 HD2 ARG 41 HD2 ARG 41 10.152 -10.574 -2.186 334 HD3 ARG 41 HD1 ARG 41 9.033 -9.222 -1.999 335 HE ARG 41 HE ARG 41 10.688 -8.637 -4.139 336 HH11 ARG 41 HH11 ARG 41 8.315 -11.135 -3.326 337 HH12 ARG 41 HH12 ARG 41 7.729 -11.303 -4.910 338 HH21 ARG 41 HH21 ARG 41 9.898 -8.872 -6.322 339 HH22 ARG 41 HH22 ARG 41 8.641 -9.998 -6.638 340 H LEU 42 HN LEU 42 10.470 -6.307 1.337 341 HA LEU 42 HA LEU 42 11.062 -4.380 -0.646 342 HB2 LEU 42 HB2 LEU 42 9.760 -4.063 2.055 343 HB3 LEU 42 HB1 LEU 42 9.748 -2.848 0.787 344 HG LEU 42 HG LEU 42 8.518 -5.595 0.513 345 HD11 LEU 42 HD11 LEU 42 6.382 -4.465 0.710 346 HD12 LEU 42 HD12 LEU 42 7.209 -2.941 1.036 347 HD13 LEU 42 HD13 LEU 42 7.337 -4.278 2.180 348 HD21 LEU 42 HD21 LEU 42 9.218 -4.591 -1.612 349 HD22 LEU 42 HD22 LEU 42 8.294 -3.133 -1.219 350 HD23 LEU 42 HD23 LEU 42 7.463 -4.654 -1.468 351 H ARG 43 HN ARG 43 12.293 -5.020 2.529 352 HA ARG 43 HA ARG 43 14.001 -2.696 2.669 353 HB2 ARG 43 HB2 ARG 43 13.098 -3.896 4.679 354 HB3 ARG 43 HB1 ARG 43 14.096 -5.278 4.265 355 HG2 ARG 43 HG2 ARG 43 16.100 -3.831 4.521 356 HG3 ARG 43 HG1 ARG 43 15.043 -2.538 5.078 357 HD2 ARG 43 HD2 ARG 43 16.032 -3.696 6.953 358 HD3 ARG 43 HD1 ARG 43 14.283 -3.940 6.902 359 HE ARG 43 HE ARG 43 14.709 -6.169 6.010 360 HH11 ARG 43 HH11 ARG 43 17.415 -4.603 7.684 361 HH12 ARG 43 HH12 ARG 43 18.219 -6.068 8.019 362 HH21 ARG 43 HH21 ARG 43 15.798 -8.175 6.556 363 HH22 ARG 43 HH22 ARG 43 17.299 -8.089 7.383 364 H ALA 44 HN ALA 44 14.125 -5.204 0.636 365 HA ALA 44 HA ALA 44 17.061 -5.255 0.577 366 HB1 ALA 44 HB1 ALA 44 15.075 -7.037 -0.861 367 HB2 ALA 44 HB2 ALA 44 15.986 -7.479 0.581 368 HB3 ALA 44 HB3 ALA 44 16.829 -7.192 -0.938 369 H THR 45 HN THR 45 14.185 -4.892 -1.448 370 HA THR 45 HA THR 45 15.504 -3.963 -3.767 371 HB THR 45 HB THR 45 12.634 -3.459 -2.931 372 HG1 THR 45 HG1 THR 45 13.995 -5.793 -3.654 373 HG21 THR 45 HG21 THR 45 13.379 -2.304 -4.990 374 HG22 THR 45 HG22 THR 45 12.209 -3.571 -5.358 375 HG23 THR 45 HG23 THR 45 13.927 -3.845 -5.647 376 H CYS 46 HN CYS 46 14.526 -2.316 -0.791 377 HA CYS 46 HA CYS 46 14.279 0.270 -1.690 378 HB2 CYS 46 HB2 CYS 46 14.740 0.796 0.674 379 HB3 CYS 46 HB1 CYS 46 13.592 -0.526 0.504 380 HG CYS 46 HG CYS 46 16.707 -0.465 1.773 381 H THR 47 HN THR 47 17.097 -1.570 -0.656 382 HA THR 47 HA THR 47 18.914 0.608 -0.874 383 HB THR 47 HB THR 47 19.550 -2.343 -0.816 384 HG1 THR 47 HG1 THR 47 19.198 -2.258 1.366 385 HG21 THR 47 HG21 THR 47 21.458 -0.820 -1.163 386 HG22 THR 47 HG22 THR 47 21.522 -1.560 0.441 387 HG23 THR 47 HG23 THR 47 20.978 0.105 0.262 388 H LEU 48 HN LEU 48 17.598 -1.674 -3.031 389 HA LEU 48 HA LEU 48 19.736 -1.492 -4.968 390 HB2 LEU 48 HB2 LEU 48 17.039 -2.800 -5.085 391 HB3 LEU 48 HB1 LEU 48 18.222 -2.941 -6.355 392 HG LEU 48 HG LEU 48 18.456 -3.995 -3.537 393 HD11 LEU 48 HD11 LEU 48 18.489 -6.166 -4.642 394 HD12 LEU 48 HD12 LEU 48 18.230 -5.371 -6.193 395 HD13 LEU 48 HD13 LEU 48 16.992 -5.285 -4.938 396 HD21 LEU 48 HD21 LEU 48 20.451 -4.136 -5.799 397 HD22 LEU 48 HD22 LEU 48 20.571 -5.004 -4.271 398 HD23 LEU 48 HD23 LEU 48 20.650 -3.245 -4.287 399 H SER 49 HN SER 49 16.435 -0.338 -4.673 400 HA SER 49 HA SER 49 16.904 1.353 -7.033 401 HB2 SER 49 HB2 SER 49 15.113 -0.326 -7.303 402 HB3 SER 49 HB1 SER 49 14.304 0.328 -5.884 403 HG SER 49 HG SER 49 13.963 1.014 -8.344 404 H GLY 50 HN GLY 50 14.811 1.341 -4.155 405 HA2 GLY 50 HA2 GLY 50 15.492 3.191 -2.540 406 HA3 GLY 50 HA1 GLY 50 15.257 4.219 -3.955 407 H ASN 51 HN ASN 51 13.249 4.540 -4.759 408 HA ASN 51 HA ASN 51 11.098 3.905 -2.872 409 HB2 ASN 51 HB2 ASN 51 11.389 6.313 -3.154 410 HB3 ASN 51 HB1 ASN 51 11.282 6.166 -4.889 411 HD21 ASN 51 HD21 ASN 51 9.425 6.272 -1.954 412 HD22 ASN 51 HD22 ASN 51 7.941 6.315 -2.850 413 H ARG 52 HN ARG 52 11.451 4.521 -6.298 414 HA ARG 52 HA ARG 52 9.034 3.764 -7.253 415 HB2 ARG 52 HB2 ARG 52 10.714 4.826 -8.625 416 HB3 ARG 52 HB1 ARG 52 11.668 3.353 -8.649 417 HG2 ARG 52 HG2 ARG 52 9.940 2.221 -9.919 418 HG3 ARG 52 HG1 ARG 52 8.913 3.655 -9.835 419 HD2 ARG 52 HD2 ARG 52 10.602 4.931 -11.056 420 HD3 ARG 52 HD1 ARG 52 11.627 3.500 -11.128 421 HE ARG 52 HE ARG 52 9.489 2.560 -12.299 422 HH11 ARG 52 HH11 ARG 52 11.046 5.726 -12.764 423 HH12 ARG 52 HH12 ARG 52 10.594 5.886 -14.380 424 HH21 ARG 52 HH21 ARG 52 8.835 2.788 -14.556 425 HH22 ARG 52 HH22 ARG 52 9.251 4.190 -15.419 426 H ASP 53 HN ASP 53 11.754 1.364 -7.513 427 HA ASP 53 HA ASP 53 10.059 -0.712 -8.282 428 HB2 ASP 53 HB2 ASP 53 12.823 -0.637 -7.141 429 HB3 ASP 53 HB1 ASP 53 12.018 -2.134 -7.551 430 H THR 54 HN THR 54 11.190 0.385 -5.172 431 HA THR 54 HA THR 54 10.530 -1.879 -3.659 432 HB THR 54 HB THR 54 10.506 0.932 -2.609 433 HG1 THR 54 HG1 THR 54 12.625 1.069 -2.796 434 HG21 THR 54 HG21 THR 54 10.118 -0.963 -1.079 435 HG22 THR 54 HG22 THR 54 11.621 -0.119 -0.711 436 HG23 THR 54 HG23 THR 54 11.664 -1.661 -1.566 437 H LEU 55 HN LEU 55 8.843 1.224 -4.336 438 HA LEU 55 HA LEU 55 6.664 0.863 -2.699 439 HB2 LEU 55 HB2 LEU 55 7.690 2.951 -3.714 440 HB3 LEU 55 HB1 LEU 55 6.937 2.460 -5.208 441 HG LEU 55 HG LEU 55 4.863 2.353 -3.936 442 HD11 LEU 55 HD11 LEU 55 4.624 3.915 -2.010 443 HD12 LEU 55 HD12 LEU 55 6.347 4.176 -2.058 444 HD13 LEU 55 HD13 LEU 55 5.717 2.569 -1.662 445 HD21 LEU 55 HD21 LEU 55 5.253 4.005 -5.638 446 HD22 LEU 55 HD22 LEU 55 6.124 5.018 -4.478 447 HD23 LEU 55 HD23 LEU 55 4.395 4.764 -4.299 448 H TRP 56 HN TRP 56 7.339 0.186 -6.110 449 HA TRP 56 HA TRP 56 4.744 -0.551 -6.862 450 HB2 TRP 56 HB2 TRP 56 6.530 -0.085 -8.500 451 HB3 TRP 56 HB1 TRP 56 7.382 -1.536 -7.982 452 HD1 TRP 56 HD1 TRP 56 6.918 -3.613 -9.411 453 HE1 TRP 56 HE1 TRP 56 5.069 -4.348 -11.051 454 HE3 TRP 56 HE3 TRP 56 3.727 0.349 -8.887 455 HZ2 TRP 56 HZ2 TRP 56 2.600 -3.394 -11.979 456 HZ3 TRP 56 HZ3 TRP 56 1.639 0.356 -10.182 457 HH2 TRP 56 HH2 TRP 56 1.087 -1.477 -11.697 458 H HIS 57 HN HIS 57 7.430 -2.478 -5.612 459 HA HIS 57 HA HIS 57 5.910 -4.878 -5.642 460 HB2 HIS 57 HB2 HIS 57 8.574 -4.195 -4.427 461 HB3 HIS 57 HB1 HIS 57 7.809 -5.758 -4.143 462 HD1 HIS 57 HD1 HIS 57 9.563 -3.787 -6.799 463 HD2 HIS 57 HD2 HIS 57 7.647 -7.442 -6.353 464 HE1 HIS 57 HE1 HIS 57 10.160 -5.156 -8.843 465 H LEU 58 HN LEU 58 6.370 -2.356 -3.369 466 HA LEU 58 HA LEU 58 5.298 -3.469 -1.050 467 HB2 LEU 58 HB2 LEU 58 6.282 -1.250 -1.120 468 HB3 LEU 58 HB1 LEU 58 5.057 -0.694 -2.219 469 HG LEU 58 HG LEU 58 3.391 -1.109 -0.314 470 HD11 LEU 58 HD11 LEU 58 4.276 -1.042 1.945 471 HD12 LEU 58 HD12 LEU 58 5.915 -1.147 1.314 472 HD13 LEU 58 HD13 LEU 58 4.796 -2.494 1.089 473 HD21 LEU 58 HD21 LEU 58 3.991 1.113 -0.999 474 HD22 LEU 58 HD22 LEU 58 5.486 1.044 -0.088 475 HD23 LEU 58 HD23 LEU 58 3.939 1.053 0.763 476 H PHE 59 HN PHE 59 3.607 -1.538 -3.505 477 HA PHE 59 HA PHE 59 1.032 -2.177 -2.606 478 HB2 PHE 59 HB2 PHE 59 1.947 -1.277 -5.337 479 HB3 PHE 59 HB1 PHE 59 0.252 -1.487 -4.918 480 HD1 PHE 59 HD1 PHE 59 -0.485 -0.245 -2.720 481 HD2 PHE 59 HD2 PHE 59 2.874 0.823 -5.103 482 HE1 PHE 59 HE1 PHE 59 -0.575 2.033 -1.818 483 HE2 PHE 59 HE2 PHE 59 2.791 3.108 -4.195 484 HZ PHE 59 HZ PHE 59 1.067 3.714 -2.549 485 H ASN 60 HN ASN 60 3.057 -3.828 -4.940 486 HA ASN 60 HA ASN 60 1.143 -5.654 -5.885 487 HB2 ASN 60 HB2 ASN 60 3.305 -5.279 -7.018 488 HB3 ASN 60 HB1 ASN 60 4.133 -6.054 -5.671 489 HD21 ASN 60 HD21 ASN 60 5.009 -7.655 -6.991 490 HD22 ASN 60 HD22 ASN 60 4.047 -8.919 -7.661 491 H THR 61 HN THR 61 3.218 -5.794 -3.029 492 HA THR 61 HA THR 61 2.389 -8.491 -2.478 493 HB THR 61 HB THR 61 3.709 -8.144 -0.316 494 HG1 THR 61 HG1 THR 61 4.722 -5.847 -1.622 495 HG21 THR 61 HG21 THR 61 5.200 -7.632 -2.892 496 HG22 THR 61 HG22 THR 61 4.646 -9.205 -2.339 497 HG23 THR 61 HG23 THR 61 5.869 -8.327 -1.411 498 H LEU 62 HN LEU 62 1.717 -5.261 -1.254 499 HA LEU 62 HA LEU 62 0.088 -5.818 0.898 500 HB2 LEU 62 HB2 LEU 62 0.387 -3.561 -0.983 501 HB3 LEU 62 HB1 LEU 62 -1.063 -3.597 -0.011 502 HG LEU 62 HG LEU 62 0.227 -3.471 2.021 503 HD11 LEU 62 HD11 LEU 62 2.673 -3.512 0.287 504 HD12 LEU 62 HD12 LEU 62 2.117 -4.801 1.353 505 HD13 LEU 62 HD13 LEU 62 2.634 -3.259 2.037 506 HD21 LEU 62 HD21 LEU 62 -0.310 -1.404 0.904 507 HD22 LEU 62 HD22 LEU 62 1.181 -1.500 -0.028 508 HD23 LEU 62 HD23 LEU 62 1.247 -1.280 1.721 509 H GLN 63 HN GLN 63 -0.840 -5.429 -2.502 510 HA GLN 63 HA GLN 63 -3.601 -5.433 -2.165 511 HB2 GLN 63 HB2 GLN 63 -3.800 -6.011 -4.500 512 HB3 GLN 63 HB1 GLN 63 -2.527 -4.821 -4.262 513 HG2 GLN 63 HG2 GLN 63 -0.831 -6.453 -4.548 514 HG3 GLN 63 HG1 GLN 63 -2.008 -7.763 -4.499 515 HE21 GLN 63 HE21 GLN 63 -0.054 -7.091 -6.522 516 HE22 GLN 63 HE22 GLN 63 -0.943 -6.860 -7.972 517 H ARG 64 HN ARG 64 -1.508 -8.140 -1.813 518 HA ARG 64 HA ARG 64 -3.720 -9.981 -2.316 519 HB2 ARG 64 HB2 ARG 64 -0.806 -10.578 -1.813 520 HB3 ARG 64 HB1 ARG 64 -2.044 -11.786 -2.101 521 HG2 ARG 64 HG2 ARG 64 -1.111 -9.680 -4.063 522 HG3 ARG 64 HG1 ARG 64 -0.719 -11.390 -4.108 523 HD2 ARG 64 HD2 ARG 64 -2.437 -11.012 -5.739 524 HD3 ARG 64 HD1 ARG 64 -3.197 -11.852 -4.388 525 HE ARG 64 HE ARG 64 -3.620 -9.212 -3.872 526 HH11 ARG 64 HH11 ARG 64 -4.454 -11.310 -6.592 527 HH12 ARG 64 HH12 ARG 64 -5.772 -10.362 -7.086 528 HH21 ARG 64 HH21 ARG 64 -5.413 -7.927 -4.545 529 HH22 ARG 64 HH22 ARG 64 -6.325 -8.350 -5.924 530 H ARG 65 HN ARG 65 -2.891 -8.163 0.117 531 HA ARG 65 HA ARG 65 -3.634 -10.187 2.109 532 HB2 ARG 65 HB2 ARG 65 -2.500 -7.424 2.634 533 HB3 ARG 65 HB1 ARG 65 -2.641 -8.756 3.768 534 HG2 ARG 65 HG2 ARG 65 -0.783 -8.678 1.387 535 HG3 ARG 65 HG1 ARG 65 -0.355 -8.361 3.066 536 HD2 ARG 65 HD2 ARG 65 -1.532 -10.965 2.128 537 HD3 ARG 65 HD1 ARG 65 0.202 -10.665 2.215 538 HE ARG 65 HE ARG 65 -0.976 -10.016 4.667 539 HH11 ARG 65 HH11 ARG 65 -0.253 -12.914 2.713 540 HH12 ARG 65 HH12 ARG 65 -0.004 -13.921 4.046 541 HH21 ARG 65 HH21 ARG 65 -0.672 -11.433 6.497 542 HH22 ARG 65 HH22 ARG 65 -0.272 -13.071 6.256 543 HA PRO 66 HA PRO 66 -7.378 -7.769 1.069 544 HB2 PRO 66 HB2 PRO 66 -8.701 -9.926 2.601 545 HB3 PRO 66 HB1 PRO 66 -9.024 -9.361 0.957 546 HG2 PRO 66 HG2 PRO 66 -7.823 -11.710 1.385 547 HG3 PRO 66 HG1 PRO 66 -7.331 -10.661 0.042 548 HD2 PRO 66 HD2 PRO 66 -6.026 -11.047 2.711 549 HD3 PRO 66 HD1 PRO 66 -5.290 -10.954 1.093 550 H GLY 67 HN GLY 67 -7.113 -6.049 2.333 551 HA2 GLY 67 HA2 GLY 67 -8.451 -5.079 4.269 552 HA3 GLY 67 HA1 GLY 67 -7.638 -6.319 5.218 553 H TRP 68 HN TRP 68 -5.364 -5.615 3.049 554 HA TRP 68 HA TRP 68 -3.535 -4.402 4.628 555 HB2 TRP 68 HB2 TRP 68 -2.332 -3.664 2.622 556 HB3 TRP 68 HB1 TRP 68 -2.835 -5.318 2.439 557 HD1 TRP 68 HD1 TRP 68 -5.087 -5.616 0.691 558 HE1 TRP 68 HE1 TRP 68 -5.611 -4.271 -1.471 559 HE3 TRP 68 HE3 TRP 68 -2.204 -1.481 1.526 560 HZ2 TRP 68 HZ2 TRP 68 -4.901 -1.854 -2.641 561 HZ3 TRP 68 HZ3 TRP 68 -2.177 0.299 -0.175 562 HH2 TRP 68 HH2 TRP 68 -3.502 0.116 -2.210 563 H VAL 69 HN VAL 69 -5.965 -2.847 2.775 564 HA VAL 69 HA VAL 69 -5.064 -0.265 2.516 565 HB VAL 69 HB VAL 69 -7.934 -1.031 3.019 566 HG11 VAL 69 HG11 VAL 69 -7.582 1.346 3.022 567 HG12 VAL 69 HG12 VAL 69 -8.418 0.849 1.541 568 HG13 VAL 69 HG13 VAL 69 -6.702 1.243 1.493 569 HG21 VAL 69 HG21 VAL 69 -6.382 -1.100 0.435 570 HG22 VAL 69 HG22 VAL 69 -8.126 -1.309 0.577 571 HG23 VAL 69 HG23 VAL 69 -7.036 -2.490 1.299 572 H GLU 70 HN GLU 70 -6.905 -1.648 5.276 573 HA GLU 70 HA GLU 70 -7.371 0.764 6.583 574 HB2 GLU 70 HB2 GLU 70 -7.149 -2.009 7.711 575 HB3 GLU 70 HB1 GLU 70 -7.949 -0.627 8.439 576 HG2 GLU 70 HG2 GLU 70 -9.551 -0.588 6.579 577 HG3 GLU 70 HG1 GLU 70 -8.769 -2.017 5.905 578 H TYR 71 HN TYR 71 -4.833 -1.705 6.950 579 HA TYR 71 HA TYR 71 -3.543 -0.394 9.110 580 HB2 TYR 71 HB2 TYR 71 -2.406 -2.472 7.228 581 HB3 TYR 71 HB1 TYR 71 -1.858 -2.030 8.828 582 HD1 TYR 71 HD2 TYR 71 -3.157 -2.669 10.836 583 HD2 TYR 71 HD1 TYR 71 -4.227 -4.010 6.951 584 HE1 TYR 71 HE2 TYR 71 -4.569 -4.427 11.836 585 HE2 TYR 71 HE1 TYR 71 -5.630 -5.759 7.925 586 HH TYR 71 HH TYR 71 -6.576 -5.776 11.125 587 H PHE 72 HN PHE 72 -3.437 -0.268 5.661 588 HA PHE 72 HA PHE 72 -0.884 0.927 5.421 589 HB2 PHE 72 HB2 PHE 72 -2.072 -0.341 3.593 590 HB3 PHE 72 HB1 PHE 72 -3.151 1.035 3.425 591 HD1 PHE 72 HD2 PHE 72 0.552 0.568 3.687 592 HD2 PHE 72 HD1 PHE 72 -2.701 2.287 1.557 593 HE1 PHE 72 HE2 PHE 72 2.132 1.569 2.103 594 HE2 PHE 72 HE1 PHE 72 -1.128 3.297 -0.035 595 HZ PHE 72 HZ PHE 72 1.296 2.938 0.232 596 H ILE 73 HN ILE 73 -4.118 2.159 5.850 597 HA ILE 73 HA ILE 73 -3.632 4.897 5.442 598 HB ILE 73 HB ILE 73 -5.338 3.744 7.679 599 HG12 ILE 73 HG12 ILE 73 -6.062 2.745 5.575 600 HG13 ILE 73 HG11 ILE 73 -7.261 3.905 6.128 601 HG21 ILE 73 HG21 ILE 73 -5.473 6.395 6.265 602 HG22 ILE 73 HG22 ILE 73 -4.929 6.116 7.916 603 HG23 ILE 73 HG23 ILE 73 -6.623 5.839 7.486 604 HD11 ILE 73 HD11 ILE 73 -5.215 4.343 3.974 605 HD12 ILE 73 HD12 ILE 73 -6.391 5.536 4.526 606 HD13 ILE 73 HD13 ILE 73 -6.938 4.054 3.740 607 H ALA 74 HN ALA 74 -3.188 2.834 8.223 608 HA ALA 74 HA ALA 74 -2.161 4.856 9.924 609 HB1 ALA 74 HB1 ALA 74 -2.087 1.858 10.215 610 HB2 ALA 74 HB2 ALA 74 -3.348 2.931 10.823 611 HB3 ALA 74 HB3 ALA 74 -1.715 3.021 11.487 612 H ALA 75 HN ALA 75 -0.795 3.027 7.433 613 HA ALA 75 HA ALA 75 1.892 2.992 8.461 614 HB1 ALA 75 HB1 ALA 75 1.178 1.210 6.871 615 HB2 ALA 75 HB2 ALA 75 2.537 2.128 6.275 616 HB3 ALA 75 HB3 ALA 75 0.928 2.447 5.634 617 H LEU 76 HN LEU 76 0.279 4.914 5.807 618 HA LEU 76 HA LEU 76 2.460 6.638 5.512 619 HB2 LEU 76 HB2 LEU 76 -0.468 7.023 4.965 620 HB3 LEU 76 HB1 LEU 76 0.770 8.160 4.498 621 HG LEU 76 HG LEU 76 0.106 6.992 2.650 622 HD11 LEU 76 HD11 LEU 76 2.475 7.392 2.692 623 HD12 LEU 76 HD12 LEU 76 2.159 5.869 1.863 624 HD13 LEU 76 HD13 LEU 76 2.749 5.860 3.524 625 HD21 LEU 76 HD21 LEU 76 0.632 4.410 4.054 626 HD22 LEU 76 HD22 LEU 76 0.184 4.576 2.353 627 HD23 LEU 76 HD23 LEU 76 -0.935 5.083 3.621 628 H ARG 77 HN ARG 77 -0.484 6.800 7.423 629 HA ARG 77 HA ARG 77 -0.079 9.436 8.376 630 HB2 ARG 77 HB2 ARG 77 -2.229 8.210 8.281 631 HB3 ARG 77 HB1 ARG 77 -1.673 7.188 9.583 632 HG2 ARG 77 HG2 ARG 77 -1.531 9.192 11.038 633 HG3 ARG 77 HG1 ARG 77 -2.244 10.141 9.725 634 HD2 ARG 77 HD2 ARG 77 -3.942 9.389 11.334 635 HD3 ARG 77 HD1 ARG 77 -4.205 8.698 9.726 636 HE ARG 77 HE ARG 77 -2.578 7.075 11.363 637 HH11 ARG 77 HH11 ARG 77 -5.952 7.769 10.560 638 HH12 ARG 77 HH12 ARG 77 -6.557 6.319 11.220 639 HH21 ARG 77 HH21 ARG 77 -3.397 5.111 12.274 640 HH22 ARG 77 HH22 ARG 77 -5.065 4.767 12.224 641 H GLY 78 HN GLY 78 1.062 6.317 9.351 642 HA2 GLY 78 HA2 GLY 78 1.870 6.976 11.996 643 HA3 GLY 78 HA1 GLY 78 2.408 5.594 11.056 644 H CYS 79 HN CYS 79 3.297 7.441 8.862 645 HA CYS 79 HA CYS 79 5.770 8.296 10.151 646 HB2 CYS 79 HB2 CYS 79 6.701 8.217 7.774 647 HB3 CYS 79 HB1 CYS 79 6.308 6.665 8.490 648 HG CYS 79 HG CYS 79 4.113 6.170 7.011 649 H GLU 80 HN GLU 80 3.338 9.816 10.200 650 HA GLU 80 HA GLU 80 2.549 11.873 10.035 651 HB2 GLU 80 HB2 GLU 80 5.459 12.415 9.633 652 HB3 GLU 80 HB1 GLU 80 4.294 13.725 9.590 653 HG2 GLU 80 HG2 GLU 80 5.356 13.491 11.752 654 HG3 GLU 80 HG1 GLU 80 3.617 13.235 11.874 655 H LEU 81 HN LEU 81 2.923 10.279 7.417 656 HA LEU 81 HA LEU 81 2.551 12.561 5.652 657 HB2 LEU 81 HB2 LEU 81 2.922 9.637 4.966 658 HB3 LEU 81 HB1 LEU 81 2.757 10.935 3.797 659 HG LEU 81 HG LEU 81 5.036 10.635 5.762 660 HD11 LEU 81 HD11 LEU 81 5.097 8.947 4.000 661 HD12 LEU 81 HD12 LEU 81 6.398 10.114 3.828 662 HD13 LEU 81 HD13 LEU 81 4.986 10.214 2.782 663 HD21 LEU 81 HD21 LEU 81 4.595 12.974 5.270 664 HD22 LEU 81 HD22 LEU 81 4.599 12.628 3.540 665 HD23 LEU 81 HD23 LEU 81 6.080 12.447 4.478 666 H VAL 82 HN VAL 82 0.642 13.030 6.670 667 HA VAL 82 HA VAL 82 -1.540 11.226 6.891 668 HB VAL 82 HB VAL 82 -1.588 14.259 7.003 669 HG11 VAL 82 HG11 VAL 82 -3.527 12.234 8.118 670 HG12 VAL 82 HG12 VAL 82 -3.814 13.294 6.738 671 HG13 VAL 82 HG13 VAL 82 -3.616 13.980 8.352 672 HG21 VAL 82 HG21 VAL 82 0.007 13.365 8.613 673 HG22 VAL 82 HG22 VAL 82 -1.217 12.260 9.236 674 HG23 VAL 82 HG23 VAL 82 -1.416 13.998 9.442 675 H ASP 83 HN ASP 83 -0.504 13.534 4.519 676 HA ASP 83 HA ASP 83 -2.892 13.688 3.034 677 HB2 ASP 83 HB2 ASP 83 -0.046 14.127 2.144 678 HB3 ASP 83 HB1 ASP 83 -1.437 14.392 1.097 679 H LEU 84 HN LEU 84 -0.182 11.492 2.789 680 HA LEU 84 HA LEU 84 -1.277 10.189 0.511 681 HB2 LEU 84 HB2 LEU 84 0.906 9.371 2.412 682 HB3 LEU 84 HB1 LEU 84 0.446 8.425 1.008 683 HG LEU 84 HG LEU 84 1.521 11.249 0.902 684 HD11 LEU 84 HD11 LEU 84 3.536 10.218 0.006 685 HD12 LEU 84 HD12 LEU 84 2.831 8.622 0.254 686 HD13 LEU 84 HD13 LEU 84 3.202 9.646 1.640 687 HD21 LEU 84 HD21 LEU 84 0.046 10.751 -0.975 688 HD22 LEU 84 HD22 LEU 84 0.914 9.241 -1.260 689 HD23 LEU 84 HD23 LEU 84 1.727 10.776 -1.512 690 H ALA 85 HN ALA 85 -1.587 9.796 3.941 691 HA ALA 85 HA ALA 85 -2.925 7.295 3.864 692 HB1 ALA 85 HB1 ALA 85 -2.015 8.220 5.989 693 HB2 ALA 85 HB2 ALA 85 -3.725 7.869 6.144 694 HB3 ALA 85 HB3 ALA 85 -3.188 9.529 5.913 695 H ASP 86 HN ASP 86 -3.972 10.657 3.755 696 HA ASP 86 HA ASP 86 -6.743 10.343 3.646 697 HB2 ASP 86 HB2 ASP 86 -5.722 12.542 3.954 698 HB3 ASP 86 HB1 ASP 86 -5.034 12.462 2.339 699 H GLU 87 HN GLU 87 -4.362 10.332 1.000 700 HA GLU 87 HA GLU 87 -6.018 10.193 -1.154 701 HB2 GLU 87 HB2 GLU 87 -3.350 8.960 -0.580 702 HB3 GLU 87 HB1 GLU 87 -4.118 8.902 -2.154 703 HG2 GLU 87 HG2 GLU 87 -3.367 11.402 -0.661 704 HG3 GLU 87 HG1 GLU 87 -2.451 10.687 -1.986 705 H VAL 88 HN VAL 88 -4.694 7.506 0.732 706 HA VAL 88 HA VAL 88 -6.102 5.520 -0.750 707 HB VAL 88 HB VAL 88 -4.933 5.226 2.027 708 HG11 VAL 88 HG11 VAL 88 -4.711 2.859 1.444 709 HG12 VAL 88 HG12 VAL 88 -5.446 3.179 -0.126 710 HG13 VAL 88 HG13 VAL 88 -6.388 3.396 1.349 711 HG21 VAL 88 HG21 VAL 88 -2.884 4.421 0.923 712 HG22 VAL 88 HG22 VAL 88 -3.233 6.107 0.561 713 HG23 VAL 88 HG23 VAL 88 -3.576 4.861 -0.640 714 H ALA 89 HN ALA 89 -6.667 7.189 2.305 715 HA ALA 89 HA ALA 89 -8.842 5.722 3.231 716 HB1 ALA 89 HB1 ALA 89 -7.629 7.370 4.604 717 HB2 ALA 89 HB2 ALA 89 -9.371 7.641 4.628 718 HB3 ALA 89 HB3 ALA 89 -8.334 8.667 3.639 719 H SER 90 HN SER 90 -8.718 8.400 0.970 720 HA SER 90 HA SER 90 -11.521 8.750 0.828 721 HB2 SER 90 HB2 SER 90 -9.400 9.526 -1.173 722 HB3 SER 90 HB1 SER 90 -11.041 10.176 -1.082 723 HG SER 90 HG SER 90 -8.832 10.611 0.534 724 H VAL 91 HN VAL 91 -9.394 6.464 -0.603 725 HA VAL 91 HA VAL 91 -11.126 5.717 -2.797 726 HB VAL 91 HB VAL 91 -8.830 4.187 -1.527 727 HG11 VAL 91 HG11 VAL 91 -10.179 3.825 -4.191 728 HG12 VAL 91 HG12 VAL 91 -10.210 2.709 -2.817 729 HG13 VAL 91 HG13 VAL 91 -8.703 3.011 -3.681 730 HG21 VAL 91 HG21 VAL 91 -8.052 6.322 -2.347 731 HG22 VAL 91 HG22 VAL 91 -8.816 6.024 -3.908 732 HG23 VAL 91 HG23 VAL 91 -7.464 5.021 -3.384 733 H TYR 92 HN TYR 92 -10.141 4.395 0.288 734 HA TYR 92 HA TYR 92 -11.963 2.201 0.262 735 HB2 TYR 92 HB2 TYR 92 -9.717 2.268 1.328 736 HB3 TYR 92 HB1 TYR 92 -10.350 3.376 2.524 737 HD1 TYR 92 HD1 TYR 92 -10.856 -0.066 1.164 738 HD2 TYR 92 HD2 TYR 92 -11.271 2.555 4.473 739 HE1 TYR 92 HE1 TYR 92 -11.496 -1.981 2.584 740 HE2 TYR 92 HE2 TYR 92 -11.925 0.677 5.892 741 HH TYR 92 HH TYR 92 -12.742 -1.430 5.776 742 H GLN 93 HN GLN 93 -12.335 5.459 0.917 743 HA GLN 93 HA GLN 93 -14.439 5.271 2.840 744 HB2 GLN 93 HB2 GLN 93 -13.037 7.359 2.316 745 HB3 GLN 93 HB1 GLN 93 -14.021 7.532 0.872 746 HG2 GLN 93 HG2 GLN 93 -14.920 8.973 2.532 747 HG3 GLN 93 HG1 GLN 93 -16.034 7.618 2.343 748 HE21 GLN 93 HE21 GLN 93 -13.786 9.175 4.420 749 HE22 GLN 93 HE22 GLN 93 -14.116 8.278 5.848 750 H SER 94 HN SER 94 -14.107 4.851 -0.547 751 HA SER 94 HA SER 94 -16.990 5.001 -0.936 752 HB2 SER 94 HB2 SER 94 -15.530 6.320 -2.483 753 HB3 SER 94 HB1 SER 94 -14.798 4.814 -3.019 754 HG SER 94 HG SER 94 -16.543 5.715 -4.318 755 H TYR 95 HN TYR 95 -14.174 2.903 -1.548 756 HA TYR 95 HA TYR 95 -15.911 0.630 -2.150 757 HB2 TYR 95 HB2 TYR 95 -12.879 0.737 -2.015 758 HB3 TYR 95 HB1 TYR 95 -13.884 -0.547 -2.649 759 HD1 TYR 95 HD2 TYR 95 -15.241 -0.150 -4.731 760 HD2 TYR 95 HD1 TYR 95 -12.238 2.540 -3.400 761 HE1 TYR 95 HE2 TYR 95 -15.116 0.823 -6.988 762 HE2 TYR 95 HE1 TYR 95 -12.104 3.515 -5.644 763 HH TYR 95 HH TYR 95 -14.414 2.919 -8.030 764 H GLN 96 HN GLN 96 -16.962 0.134 -0.408 765 HA GLN 96 HA GLN 96 -17.499 -0.644 1.613 766 HB2 GLN 96 HB2 GLN 96 -14.915 -2.167 1.295 767 HB3 GLN 96 HB1 GLN 96 -16.116 -2.504 2.529 768 HG2 GLN 96 HG2 GLN 96 -17.751 -2.965 0.735 769 HG3 GLN 96 HG1 GLN 96 -16.461 -2.742 -0.445 770 HE21 GLN 96 HE21 GLN 96 -14.809 -4.273 -0.543 771 HE22 GLN 96 HE22 GLN 96 -14.963 -5.850 0.158 772 HA PRO 97 HA PRO 97 -14.797 2.285 3.941 773 HB2 PRO 97 HB2 PRO 97 -16.754 3.906 4.859 774 HB3 PRO 97 HB1 PRO 97 -16.041 4.099 3.254 775 HG2 PRO 97 HG2 PRO 97 -18.600 2.765 4.035 776 HG3 PRO 97 HG1 PRO 97 -18.313 3.891 2.707 777 HD2 PRO 97 HD2 PRO 97 -18.423 1.196 2.369 778 HD3 PRO 97 HD1 PRO 97 -17.380 2.207 1.354 779 H ARG 98 HN ARG 98 -17.950 1.095 4.850 780 HA ARG 98 HA ARG 98 -17.133 -0.010 7.306 781 HB2 ARG 98 HB2 ARG 98 -18.664 1.494 8.682 782 HB3 ARG 98 HB1 ARG 98 -17.175 2.238 8.133 783 HG2 ARG 98 HG2 ARG 98 -18.489 3.264 6.242 784 HG3 ARG 98 HG1 ARG 98 -19.937 2.657 7.037 785 HD2 ARG 98 HD2 ARG 98 -19.451 5.022 7.604 786 HD3 ARG 98 HD1 ARG 98 -19.464 3.966 9.015 787 HE ARG 98 HE ARG 98 -17.215 4.214 9.255 788 HH11 ARG 98 HH11 ARG 98 -18.290 5.996 6.388 789 HH12 ARG 98 HH12 ARG 98 -16.790 6.737 6.104 790 HH21 ARG 98 HH21 ARG 98 -15.179 5.330 8.926 791 HH22 ARG 98 HH22 ARG 98 -14.997 6.422 7.642 792 H THR 99 HN THR 99 -18.206 -1.819 7.094 793 HA THR 99 HA THR 99 -21.018 -1.665 6.393 794 HB THR 99 HB THR 99 -19.161 -3.735 5.172 795 HG1 THR 99 HG1 THR 99 -20.245 -1.302 4.169 796 HG21 THR 99 HG21 THR 99 -21.534 -4.401 5.411 797 HG22 THR 99 HG22 THR 99 -21.091 -4.189 3.717 798 HG23 THR 99 HG23 THR 99 -22.021 -2.943 4.547 799 H SER 100 HN SER 100 -21.320 -1.919 8.589 800 HA SER 100 HA SER 100 -21.674 -4.610 9.335 801 HB2 SER 100 HB2 SER 100 -19.311 -4.111 10.172 802 HB3 SER 100 HB1 SER 100 -19.990 -2.803 11.136 803 HG SER 100 HG SER 100 -19.748 -5.318 11.801 Start of MODEL 2 1 H1 GLY -1 HT1 GLY -1 -12.691 -3.890 3.090 2 H2 GLY -1 HT2 GLY -1 -13.170 -3.516 4.674 3 H3 GLY -1 HT3 GLY -1 -13.335 -2.365 3.466 4 HA2 GLY -1 HA1 GLY -1 -15.459 -3.332 3.969 5 HA3 GLY -1 HA2 GLY -1 -14.952 -3.734 2.337 6 H SER 0 HN SER 0 -12.932 -5.691 3.367 7 HA SER 0 HA SER 0 -12.653 -7.752 4.011 8 HB2 SER 0 HB2 SER 0 -15.485 -7.718 5.101 9 HB3 SER 0 HB1 SER 0 -14.392 -9.095 5.245 10 HG SER 0 HG SER 0 -14.275 -6.565 6.445 11 H MET 1 HN MET 1 -12.533 -9.529 2.850 12 HA MET 1 HA MET 1 -12.703 -10.856 1.141 13 HB2 MET 1 HB2 MET 1 -15.611 -10.002 0.970 14 HB3 MET 1 HB1 MET 1 -14.888 -11.273 -0.015 15 HG2 MET 1 HG2 MET 1 -14.400 -12.553 2.027 16 HG3 MET 1 HG1 MET 1 -15.144 -11.280 2.987 17 HE1 MET 1 HE1 MET 1 -16.714 -13.041 4.176 18 HE2 MET 1 HE2 MET 1 -15.934 -14.319 3.244 19 HE3 MET 1 HE3 MET 1 -17.694 -14.221 3.302 20 HA PRO 2 HA PRO 2 -11.191 -7.265 -0.814 21 HB2 PRO 2 HB2 PRO 2 -9.574 -8.556 -2.640 22 HB3 PRO 2 HB1 PRO 2 -9.206 -8.207 -0.934 23 HG2 PRO 2 HG2 PRO 2 -10.269 -10.742 -2.117 24 HG3 PRO 2 HG1 PRO 2 -8.962 -10.516 -0.941 25 HD2 PRO 2 HD2 PRO 2 -11.383 -11.240 -0.171 26 HD3 PRO 2 HD1 PRO 2 -10.463 -10.093 0.811 27 H PHE 3 HN PHE 3 -12.705 -6.287 -1.747 28 HA PHE 3 HA PHE 3 -13.094 -6.659 -4.624 29 HB2 PHE 3 HB2 PHE 3 -15.011 -7.789 -3.492 30 HB3 PHE 3 HB1 PHE 3 -15.356 -6.306 -2.619 31 HD1 PHE 3 HD2 PHE 3 -15.408 -7.942 -5.915 32 HD2 PHE 3 HD1 PHE 3 -16.588 -4.532 -3.654 33 HE1 PHE 3 HE2 PHE 3 -16.923 -7.264 -7.729 34 HE2 PHE 3 HE1 PHE 3 -18.110 -3.855 -5.462 35 HZ PHE 3 HZ PHE 3 -18.279 -5.222 -7.503 36 H ALA 4 HN ALA 4 -14.067 -4.771 -1.796 37 HA ALA 4 HA ALA 4 -14.020 -2.269 -3.117 38 HB1 ALA 4 HB1 ALA 4 -13.824 -2.876 -0.166 39 HB2 ALA 4 HB2 ALA 4 -15.326 -2.811 -1.087 40 HB3 ALA 4 HB3 ALA 4 -14.355 -1.359 -0.914 41 H GLU 5 HN GLU 5 -11.751 -4.026 -1.035 42 HA GLU 5 HA GLU 5 -9.714 -2.086 -0.981 43 HB2 GLU 5 HB2 GLU 5 -9.420 -5.098 -0.789 44 HB3 GLU 5 HB1 GLU 5 -8.252 -3.906 -0.253 45 HG2 GLU 5 HG2 GLU 5 -9.252 -4.641 1.722 46 HG3 GLU 5 HG1 GLU 5 -10.065 -3.130 1.372 47 H ASP 6 HN ASP 6 -10.593 -4.626 -3.138 48 HA ASP 6 HA ASP 6 -8.253 -4.783 -4.701 49 HB2 ASP 6 HB2 ASP 6 -10.038 -6.501 -4.726 50 HB3 ASP 6 HB1 ASP 6 -11.099 -5.358 -5.539 51 H LYS 7 HN LYS 7 -11.258 -2.979 -5.130 52 HA LYS 7 HA LYS 7 -10.214 -1.674 -7.424 53 HB2 LYS 7 HB2 LYS 7 -12.729 -1.153 -5.866 54 HB3 LYS 7 HB1 LYS 7 -12.269 -0.229 -7.298 55 HG2 LYS 7 HG2 LYS 7 -12.145 -2.388 -8.554 56 HG3 LYS 7 HG1 LYS 7 -12.819 -3.182 -7.136 57 HD2 LYS 7 HD2 LYS 7 -14.132 -0.938 -8.646 58 HD3 LYS 7 HD1 LYS 7 -14.478 -2.647 -8.893 59 HE2 LYS 7 HE2 LYS 7 -15.205 -2.806 -6.536 60 HE3 LYS 7 HE1 LYS 7 -14.894 -1.080 -6.343 61 HZ1 LYS 7 HZ1 LYS 7 -17.227 -1.431 -6.788 62 HZ2 LYS 7 HZ2 LYS 7 -16.872 -2.327 -8.156 63 HZ3 LYS 7 HZ3 LYS 7 -16.527 -0.687 -8.128 64 H THR 8 HN THR 8 -10.099 -0.990 -4.058 65 HA THR 8 HA THR 8 -9.344 1.709 -4.265 66 HB THR 8 HB THR 8 -8.431 -0.367 -2.225 67 HG1 THR 8 HG1 THR 8 -10.753 -0.023 -2.312 68 HG21 THR 8 HG21 THR 8 -7.986 1.552 -0.747 69 HG22 THR 8 HG22 THR 8 -8.462 2.657 -2.033 70 HG23 THR 8 HG23 THR 8 -7.016 1.667 -2.217 71 H TYR 9 HN TYR 9 -7.493 -1.327 -4.377 72 HA TYR 9 HA TYR 9 -4.952 -0.255 -4.852 73 HB2 TYR 9 HB2 TYR 9 -5.097 -2.608 -4.345 74 HB3 TYR 9 HB1 TYR 9 -6.173 -2.894 -5.707 75 HD1 TYR 9 HD1 TYR 9 -2.670 -1.932 -4.851 76 HD2 TYR 9 HD2 TYR 9 -5.302 -3.512 -7.801 77 HE1 TYR 9 HE1 TYR 9 -0.742 -2.492 -6.283 78 HE2 TYR 9 HE2 TYR 9 -3.385 -4.065 -9.226 79 HH TYR 9 HH TYR 9 -1.118 -3.391 -9.555 80 H LYS 10 HN LYS 10 -7.479 -1.214 -7.136 81 HA LYS 10 HA LYS 10 -6.100 -0.672 -9.514 82 HB2 LYS 10 HB2 LYS 10 -9.072 -0.437 -9.014 83 HB3 LYS 10 HB1 LYS 10 -8.310 -0.514 -10.590 84 HG2 LYS 10 HG2 LYS 10 -8.344 -2.710 -8.517 85 HG3 LYS 10 HG1 LYS 10 -9.292 -2.644 -10.005 86 HD2 LYS 10 HD2 LYS 10 -7.168 -2.640 -11.291 87 HD3 LYS 10 HD1 LYS 10 -6.290 -2.842 -9.777 88 HE2 LYS 10 HE2 LYS 10 -8.318 -4.764 -10.934 89 HE3 LYS 10 HE1 LYS 10 -6.573 -4.977 -10.934 90 HZ1 LYS 10 HZ1 LYS 10 -7.470 -6.261 -9.198 91 HZ2 LYS 10 HZ2 LYS 10 -8.404 -5.048 -8.573 92 HZ3 LYS 10 HZ3 LYS 10 -6.713 -4.990 -8.427 93 H TYR 11 HN TYR 11 -7.974 1.415 -7.427 94 HA TYR 11 HA TYR 11 -8.028 3.732 -9.018 95 HB2 TYR 11 HB2 TYR 11 -9.255 3.170 -6.751 96 HB3 TYR 11 HB1 TYR 11 -7.776 3.732 -6.039 97 HD1 TYR 11 HD2 TYR 11 -7.017 6.079 -6.302 98 HD2 TYR 11 HD1 TYR 11 -10.827 4.776 -7.667 99 HE1 TYR 11 HE2 TYR 11 -7.768 8.412 -6.420 100 HE2 TYR 11 HE1 TYR 11 -11.584 7.104 -7.787 101 HH TYR 11 HH TYR 11 -9.425 9.698 -7.593 102 H ILE 12 HN ILE 12 -5.892 2.697 -6.411 103 HA ILE 12 HA ILE 12 -4.173 4.936 -6.444 104 HB ILE 12 HB ILE 12 -3.674 2.140 -5.369 105 HG12 ILE 12 HG12 ILE 12 -5.692 3.199 -4.454 106 HG13 ILE 12 HG11 ILE 12 -4.449 3.011 -3.212 107 HG21 ILE 12 HG21 ILE 12 -1.576 3.370 -5.566 108 HG22 ILE 12 HG22 ILE 12 -2.035 3.176 -3.872 109 HG23 ILE 12 HG23 ILE 12 -2.276 4.727 -4.677 110 HD11 ILE 12 HD11 ILE 12 -5.587 5.133 -2.991 111 HD12 ILE 12 HD12 ILE 12 -5.230 5.539 -4.665 112 HD13 ILE 12 HD13 ILE 12 -3.919 5.421 -3.489 113 H CYS 13 HN CYS 13 -4.166 2.091 -8.413 114 HA CYS 13 HA CYS 13 -1.516 2.159 -9.350 115 HB2 CYS 13 HB2 CYS 13 -4.011 1.432 -10.899 116 HB3 CYS 13 HB1 CYS 13 -2.365 1.025 -11.357 117 HG CYS 13 HG CYS 13 -3.637 -0.030 -8.393 118 H ARG 14 HN ARG 14 -4.197 4.214 -9.991 119 HA ARG 14 HA ARG 14 -3.214 5.365 -12.451 120 HB2 ARG 14 HB2 ARG 14 -5.395 6.260 -10.596 121 HB3 ARG 14 HB1 ARG 14 -5.141 6.824 -12.241 122 HG2 ARG 14 HG2 ARG 14 -5.689 4.635 -13.102 123 HG3 ARG 14 HG1 ARG 14 -5.760 4.015 -11.450 124 HD2 ARG 14 HD2 ARG 14 -7.994 4.482 -12.413 125 HD3 ARG 14 HD1 ARG 14 -7.641 5.355 -10.922 126 HE ARG 14 HE ARG 14 -7.083 6.762 -13.380 127 HH11 ARG 14 HH11 ARG 14 -9.398 6.189 -10.765 128 HH12 ARG 14 HH12 ARG 14 -10.288 7.618 -11.028 129 HH21 ARG 14 HH21 ARG 14 -8.300 8.712 -13.756 130 HH22 ARG 14 HH22 ARG 14 -9.655 9.089 -12.806 131 H ASN 15 HN ASN 15 -2.979 5.975 -9.065 132 HA ASN 15 HA ASN 15 -1.830 8.626 -9.585 133 HB2 ASN 15 HB2 ASN 15 -2.520 9.204 -7.206 134 HB3 ASN 15 HB1 ASN 15 -3.844 8.917 -8.336 135 HD21 ASN 15 HD21 ASN 15 -5.170 7.259 -8.091 136 HD22 ASN 15 HD22 ASN 15 -5.154 6.257 -6.692 137 H PHE 16 HN PHE 16 -0.790 5.844 -9.353 138 HA PHE 16 HA PHE 16 0.906 5.385 -7.253 139 HB2 PHE 16 HB2 PHE 16 0.707 3.812 -9.111 140 HB3 PHE 16 HB1 PHE 16 1.510 4.945 -10.190 141 HD1 PHE 16 HD2 PHE 16 1.972 2.548 -7.453 142 HD2 PHE 16 HD1 PHE 16 3.916 5.246 -10.115 143 HE1 PHE 16 HE2 PHE 16 4.151 1.559 -6.877 144 HE2 PHE 16 HE1 PHE 16 6.087 4.260 -9.540 145 HZ PHE 16 HZ PHE 16 6.209 2.422 -7.925 146 H SER 17 HN SER 17 1.494 7.619 -9.951 147 HA SER 17 HA SER 17 4.146 8.230 -9.194 148 HB2 SER 17 HB2 SER 17 2.245 9.689 -11.013 149 HB3 SER 17 HB1 SER 17 3.986 9.949 -10.922 150 HG SER 17 HG SER 17 2.865 8.321 -12.492 151 H ASN 18 HN ASN 18 1.459 8.976 -7.527 152 HA ASN 18 HA ASN 18 2.431 11.589 -6.654 153 HB2 ASN 18 HB2 ASN 18 0.060 11.524 -7.109 154 HB3 ASN 18 HB1 ASN 18 -0.138 10.063 -6.166 155 HD21 ASN 18 HD21 ASN 18 -0.487 10.227 -4.033 156 HD22 ASN 18 HD22 ASN 18 -0.713 11.679 -3.189 157 H PHE 19 HN PHE 19 2.719 8.322 -5.961 158 HA PHE 19 HA PHE 19 3.306 8.734 -3.118 159 HB2 PHE 19 HB2 PHE 19 2.589 6.286 -4.735 160 HB3 PHE 19 HB1 PHE 19 3.258 6.189 -3.118 161 HD1 PHE 19 HD1 PHE 19 0.389 7.570 -5.047 162 HD2 PHE 19 HD2 PHE 19 1.849 6.254 -1.278 163 HE1 PHE 19 HE1 PHE 19 -1.879 7.719 -4.120 164 HE2 PHE 19 HE2 PHE 19 -0.418 6.408 -0.340 165 HZ PHE 19 HZ PHE 19 -2.286 7.142 -1.763 166 H CYS 20 HN CYS 20 4.833 9.133 -5.797 167 HA CYS 20 HA CYS 20 6.843 7.119 -5.912 168 HB2 CYS 20 HB2 CYS 20 7.768 8.560 -7.672 169 HB3 CYS 20 HB1 CYS 20 6.055 8.245 -7.891 170 HG CYS 20 HG CYS 20 5.368 10.718 -8.083 171 H ASN 21 HN ASN 21 6.508 9.166 -3.583 172 HA ASN 21 HA ASN 21 9.246 9.047 -2.857 173 HB2 ASN 21 HB2 ASN 21 9.167 11.261 -4.056 174 HB3 ASN 21 HB1 ASN 21 7.912 11.772 -2.936 175 HD21 ASN 21 HD21 ASN 21 11.288 11.086 -3.313 176 HD22 ASN 21 HD22 ASN 21 11.795 11.766 -1.805 177 H VAL 22 HN VAL 22 8.480 7.697 -1.363 178 HA VAL 22 HA VAL 22 7.205 8.946 0.927 179 HB VAL 22 HB VAL 22 5.422 7.729 -0.558 180 HG11 VAL 22 HG11 VAL 22 5.155 5.419 -0.312 181 HG12 VAL 22 HG12 VAL 22 6.780 5.303 0.399 182 HG13 VAL 22 HG13 VAL 22 6.560 5.891 -1.265 183 HG21 VAL 22 HG21 VAL 22 4.271 6.712 1.338 184 HG22 VAL 22 HG22 VAL 22 4.889 8.319 1.687 185 HG23 VAL 22 HG23 VAL 22 5.734 6.896 2.311 186 H ASP 23 HN ASP 23 7.437 7.402 2.862 187 HA ASP 23 HA ASP 23 10.099 6.259 2.763 188 HB2 ASP 23 HB2 ASP 23 9.141 7.729 4.670 189 HB3 ASP 23 HB1 ASP 23 8.273 6.284 5.158 190 H VAL 24 HN VAL 24 10.059 4.294 1.863 191 HA VAL 24 HA VAL 24 7.756 2.597 1.872 192 HB VAL 24 HB VAL 24 10.570 1.846 1.025 193 HG11 VAL 24 HG11 VAL 24 8.974 -0.043 1.227 194 HG12 VAL 24 HG12 VAL 24 9.509 0.242 -0.429 195 HG13 VAL 24 HG13 VAL 24 7.918 0.783 0.071 196 HG21 VAL 24 HG21 VAL 24 8.388 3.111 -0.603 197 HG22 VAL 24 HG22 VAL 24 9.928 2.522 -1.234 198 HG23 VAL 24 HG23 VAL 24 9.894 3.892 -0.118 199 H VAL 25 HN VAL 25 10.793 2.669 3.617 200 HA VAL 25 HA VAL 25 10.262 0.074 4.714 201 HB VAL 25 HB VAL 25 12.274 0.336 6.099 202 HG11 VAL 25 HG11 VAL 25 12.320 -0.783 3.932 203 HG12 VAL 25 HG12 VAL 25 13.841 0.078 4.177 204 HG13 VAL 25 HG13 VAL 25 12.602 0.744 3.110 205 HG21 VAL 25 HG21 VAL 25 12.352 2.763 6.222 206 HG22 VAL 25 HG22 VAL 25 12.744 2.841 4.494 207 HG23 VAL 25 HG23 VAL 25 13.872 2.104 5.626 208 H GLU 26 HN GLU 26 9.723 3.256 5.787 209 HA GLU 26 HA GLU 26 9.183 2.664 8.523 210 HB2 GLU 26 HB2 GLU 26 9.364 4.983 7.414 211 HB3 GLU 26 HB1 GLU 26 7.727 4.712 6.851 212 HG2 GLU 26 HG2 GLU 26 7.673 6.090 8.813 213 HG3 GLU 26 HG1 GLU 26 6.995 4.505 9.207 214 H ILE 27 HN ILE 27 7.324 2.566 5.576 215 HA ILE 27 HA ILE 27 4.735 2.035 6.565 216 HB ILE 27 HB ILE 27 6.089 1.378 3.937 217 HG12 ILE 27 HG12 ILE 27 4.022 3.482 4.610 218 HG13 ILE 27 HG11 ILE 27 5.751 3.762 4.445 219 HG21 ILE 27 HG21 ILE 27 4.325 -0.248 4.200 220 HG22 ILE 27 HG22 ILE 27 3.908 0.920 2.947 221 HG23 ILE 27 HG23 ILE 27 3.158 1.035 4.540 222 HD11 ILE 27 HD11 ILE 27 3.904 2.819 2.261 223 HD12 ILE 27 HD12 ILE 27 5.638 3.122 2.105 224 HD13 ILE 27 HD13 ILE 27 4.539 4.454 2.460 225 H LEU 28 HN LEU 28 7.409 -0.096 5.901 226 HA LEU 28 HA LEU 28 6.114 -2.513 5.750 227 HB2 LEU 28 HB2 LEU 28 8.847 -2.005 6.901 228 HB3 LEU 28 HB1 LEU 28 8.233 -3.579 6.437 229 HG LEU 28 HG LEU 28 8.645 -1.252 4.565 230 HD11 LEU 28 HD11 LEU 28 10.510 -2.556 3.704 231 HD12 LEU 28 HD12 LEU 28 10.236 -3.769 4.953 232 HD13 LEU 28 HD13 LEU 28 10.744 -2.140 5.402 233 HD21 LEU 28 HD21 LEU 28 8.280 -2.928 2.807 234 HD22 LEU 28 HD22 LEU 28 6.855 -2.703 3.811 235 HD23 LEU 28 HD23 LEU 28 7.882 -4.124 4.043 236 HA PRO 29 HA PRO 29 6.345 -3.529 10.450 237 HB2 PRO 29 HB2 PRO 29 6.812 -1.541 12.235 238 HB3 PRO 29 HB1 PRO 29 8.105 -2.528 11.542 239 HG2 PRO 29 HG2 PRO 29 7.164 0.196 10.730 240 HG3 PRO 29 HG1 PRO 29 8.824 -0.388 10.948 241 HD2 PRO 29 HD2 PRO 29 7.724 -0.186 8.512 242 HD3 PRO 29 HD1 PRO 29 8.831 -1.512 8.930 243 H TYR 30 HN TYR 30 4.926 -0.720 9.149 244 HA TYR 30 HA TYR 30 2.832 -0.512 11.108 245 HB2 TYR 30 HB2 TYR 30 3.581 0.922 8.627 246 HB3 TYR 30 HB1 TYR 30 1.917 1.082 9.109 247 HD1 TYR 30 HD1 TYR 30 1.502 1.955 11.515 248 HD2 TYR 30 HD2 TYR 30 5.256 2.247 9.555 249 HE1 TYR 30 HE1 TYR 30 2.159 3.747 13.056 250 HE2 TYR 30 HE2 TYR 30 5.931 4.039 11.098 251 HH TYR 30 HH TYR 30 4.306 4.678 13.927 252 H LEU 31 HN LEU 31 3.448 -2.306 8.271 253 HA LEU 31 HA LEU 31 0.648 -3.086 8.056 254 HB2 LEU 31 HB2 LEU 31 2.954 -3.235 6.135 255 HB3 LEU 31 HB1 LEU 31 1.514 -4.198 5.920 256 HG LEU 31 HG LEU 31 0.169 -2.145 5.595 257 HD11 LEU 31 HD11 LEU 31 1.267 -0.666 7.064 258 HD12 LEU 31 HD12 LEU 31 1.162 -0.006 5.425 259 HD13 LEU 31 HD13 LEU 31 2.689 -0.654 6.025 260 HD21 LEU 31 HD21 LEU 31 2.682 -2.145 3.956 261 HD22 LEU 31 HD22 LEU 31 1.156 -1.388 3.524 262 HD23 LEU 31 HD23 LEU 31 1.259 -3.144 3.671 263 HA PRO 32 HA PRO 32 2.440 -6.719 10.219 264 HB2 PRO 32 HB2 PRO 32 -0.299 -7.119 11.143 265 HB3 PRO 32 HB1 PRO 32 1.158 -6.816 12.089 266 HG2 PRO 32 HG2 PRO 32 -0.814 -4.998 11.868 267 HG3 PRO 32 HG1 PRO 32 0.892 -4.542 12.026 268 HD2 PRO 32 HD2 PRO 32 -0.811 -4.669 9.567 269 HD3 PRO 32 HD1 PRO 32 0.347 -3.419 10.077 270 H CYS 33 HN CYS 33 -0.018 -6.269 7.928 271 HA CYS 33 HA CYS 33 -0.827 -8.970 7.688 272 HB2 CYS 33 HB2 CYS 33 -1.779 -8.118 5.460 273 HB3 CYS 33 HB1 CYS 33 -2.422 -7.424 6.943 274 HG CYS 33 HG CYS 33 -2.212 -5.467 4.989 275 H LEU 34 HN LEU 34 1.901 -7.187 6.594 276 HA LEU 34 HA LEU 34 2.582 -9.271 4.714 277 HB2 LEU 34 HB2 LEU 34 3.832 -6.637 5.374 278 HB3 LEU 34 HB1 LEU 34 4.641 -7.860 4.419 279 HG LEU 34 HG LEU 34 2.520 -7.777 2.942 280 HD11 LEU 34 HD11 LEU 34 2.327 -5.076 4.213 281 HD12 LEU 34 HD12 LEU 34 1.156 -6.388 4.358 282 HD13 LEU 34 HD13 LEU 34 1.438 -5.624 2.791 283 HD21 LEU 34 HD21 LEU 34 4.564 -5.599 2.964 284 HD22 LEU 34 HD22 LEU 34 3.535 -6.068 1.584 285 HD23 LEU 34 HD23 LEU 34 4.677 -7.230 2.296 286 H THR 35 HN THR 35 3.934 -10.794 5.235 287 HA THR 35 HA THR 35 4.570 -11.310 7.907 288 HB THR 35 HB THR 35 6.173 -12.713 5.941 289 HG1 THR 35 HG1 THR 35 4.771 -12.689 4.375 290 HG21 THR 35 HG21 THR 35 5.446 -13.606 8.149 291 HG22 THR 35 HG22 THR 35 4.936 -14.647 6.824 292 HG23 THR 35 HG23 THR 35 3.776 -13.564 7.592 293 H ALA 36 HN ALA 36 6.675 -11.286 8.885 294 HA ALA 36 HA ALA 36 8.155 -8.981 8.469 295 HB1 ALA 36 HB1 ALA 36 9.042 -11.491 9.860 296 HB2 ALA 36 HB2 ALA 36 8.099 -10.189 10.584 297 HB3 ALA 36 HB3 ALA 36 9.761 -9.894 10.063 298 H ARG 37 HN ARG 37 8.747 -12.205 7.226 299 HA ARG 37 HA ARG 37 11.286 -11.569 6.113 300 HB2 ARG 37 HB2 ARG 37 10.702 -13.880 6.524 301 HB3 ARG 37 HB1 ARG 37 9.356 -13.778 5.403 302 HG2 ARG 37 HG2 ARG 37 10.874 -13.526 3.538 303 HG3 ARG 37 HG1 ARG 37 12.254 -13.472 4.636 304 HD2 ARG 37 HD2 ARG 37 10.382 -15.815 4.300 305 HD3 ARG 37 HD1 ARG 37 11.983 -15.680 3.579 306 HE ARG 37 HE ARG 37 12.262 -15.270 6.299 307 HH11 ARG 37 HH11 ARG 37 11.317 -17.914 4.155 308 HH12 ARG 37 HH12 ARG 37 11.857 -19.136 5.213 309 HH21 ARG 37 HH21 ARG 37 12.953 -16.918 7.738 310 HH22 ARG 37 HH22 ARG 37 12.812 -18.553 7.298 311 H ASP 38 HN ASP 38 8.020 -11.309 4.882 312 HA ASP 38 HA ASP 38 8.773 -10.634 2.208 313 HB2 ASP 38 HB2 ASP 38 6.217 -10.192 3.746 314 HB3 ASP 38 HB1 ASP 38 6.405 -9.593 2.111 315 H GLN 39 HN GLN 39 8.089 -8.841 5.116 316 HA GLN 39 HA GLN 39 8.340 -6.229 4.117 317 HB2 GLN 39 HB2 GLN 39 9.179 -7.310 6.819 318 HB3 GLN 39 HB1 GLN 39 9.001 -5.612 6.437 319 HG2 GLN 39 HG2 GLN 39 6.633 -5.850 6.197 320 HG3 GLN 39 HG1 GLN 39 6.682 -7.595 6.378 321 HE21 GLN 39 HE21 GLN 39 5.196 -5.757 7.998 322 HE22 GLN 39 HE22 GLN 39 5.822 -5.902 9.595 323 H ASP 40 HN ASP 40 10.706 -8.497 5.383 324 HA ASP 40 HA ASP 40 13.093 -7.079 5.280 325 HB2 ASP 40 HB2 ASP 40 12.924 -9.265 6.284 326 HB3 ASP 40 HB1 ASP 40 12.552 -9.989 4.737 327 H ARG 41 HN ARG 41 11.582 -8.982 2.783 328 HA ARG 41 HA ARG 41 13.510 -8.712 0.757 329 HB2 ARG 41 HB2 ARG 41 10.522 -9.016 0.475 330 HB3 ARG 41 HB1 ARG 41 11.669 -9.208 -0.842 331 HG2 ARG 41 HG2 ARG 41 12.703 -11.083 0.311 332 HG3 ARG 41 HG1 ARG 41 11.597 -10.868 1.667 333 HD2 ARG 41 HD2 ARG 41 9.704 -11.339 0.196 334 HD3 ARG 41 HD1 ARG 41 10.813 -11.542 -1.161 335 HE ARG 41 HE ARG 41 11.653 -13.232 0.851 336 HH11 ARG 41 HH11 ARG 41 8.828 -12.915 -1.240 337 HH12 ARG 41 HH12 ARG 41 8.432 -14.565 -1.218 338 HH21 ARG 41 HH21 ARG 41 11.155 -15.490 0.870 339 HH22 ARG 41 HH22 ARG 41 9.800 -16.083 0.013 340 H LEU 42 HN LEU 42 10.696 -6.697 1.423 341 HA LEU 42 HA LEU 42 11.212 -4.850 -0.681 342 HB2 LEU 42 HB2 LEU 42 9.552 -4.634 1.825 343 HB3 LEU 42 HB1 LEU 42 9.579 -3.414 0.566 344 HG LEU 42 HG LEU 42 8.745 -6.270 0.055 345 HD11 LEU 42 HD11 LEU 42 7.222 -5.266 1.679 346 HD12 LEU 42 HD12 LEU 42 6.443 -5.432 0.107 347 HD13 LEU 42 HD13 LEU 42 7.038 -3.858 0.638 348 HD21 LEU 42 HD21 LEU 42 9.495 -4.969 -1.901 349 HD22 LEU 42 HD22 LEU 42 8.298 -3.725 -1.507 350 HD23 LEU 42 HD23 LEU 42 7.775 -5.336 -1.957 351 H ARG 43 HN ARG 43 11.981 -4.973 2.707 352 HA ARG 43 HA ARG 43 13.044 -2.445 3.190 353 HB2 ARG 43 HB2 ARG 43 12.522 -4.368 4.756 354 HB3 ARG 43 HB1 ARG 43 14.104 -4.990 4.325 355 HG2 ARG 43 HG2 ARG 43 15.135 -2.960 5.178 356 HG3 ARG 43 HG1 ARG 43 13.535 -2.336 5.617 357 HD2 ARG 43 HD2 ARG 43 13.202 -4.406 6.958 358 HD3 ARG 43 HD1 ARG 43 14.886 -4.778 6.565 359 HE ARG 43 HE ARG 43 14.953 -2.300 7.667 360 HH11 ARG 43 HH11 ARG 43 14.022 -5.539 8.742 361 HH12 ARG 43 HH12 ARG 43 14.105 -5.197 10.408 362 HH21 ARG 43 HH21 ARG 43 15.131 -1.824 10.008 363 HH22 ARG 43 HH22 ARG 43 14.754 -3.045 11.126 364 H ALA 44 HN ALA 44 14.709 -5.413 2.221 365 HA ALA 44 HA ALA 44 17.270 -4.296 1.971 366 HB1 ALA 44 HB1 ALA 44 17.839 -6.316 0.720 367 HB2 ALA 44 HB2 ALA 44 16.127 -6.694 0.541 368 HB3 ALA 44 HB3 ALA 44 16.870 -6.707 2.140 369 H THR 45 HN THR 45 14.672 -4.696 -0.370 370 HA THR 45 HA THR 45 16.172 -3.847 -2.619 371 HB THR 45 HB THR 45 13.162 -3.813 -2.219 372 HG1 THR 45 HG1 THR 45 13.700 -5.900 -1.913 373 HG21 THR 45 HG21 THR 45 13.077 -4.070 -4.663 374 HG22 THR 45 HG22 THR 45 14.838 -4.037 -4.733 375 HG23 THR 45 HG23 THR 45 13.952 -2.596 -4.240 376 H CYS 46 HN CYS 46 14.254 -2.128 -0.218 377 HA CYS 46 HA CYS 46 14.073 0.350 -1.552 378 HB2 CYS 46 HB2 CYS 46 12.754 -0.459 0.466 379 HB3 CYS 46 HB1 CYS 46 14.169 -0.089 1.413 380 HG CYS 46 HG CYS 46 12.965 2.351 -0.546 381 H THR 47 HN THR 47 16.341 -0.953 0.782 382 HA THR 47 HA THR 47 17.895 1.439 0.769 383 HB THR 47 HB THR 47 17.913 -0.029 2.774 384 HG1 THR 47 HG1 THR 47 19.757 1.349 2.282 385 HG21 THR 47 HG21 THR 47 19.513 -1.943 1.078 386 HG22 THR 47 HG22 THR 47 17.873 -2.206 1.663 387 HG23 THR 47 HG23 THR 47 19.210 -2.105 2.810 388 H LEU 48 HN LEU 48 17.834 -1.370 -1.211 389 HA LEU 48 HA LEU 48 20.371 -0.953 -2.447 390 HB2 LEU 48 HB2 LEU 48 17.958 -2.536 -3.290 391 HB3 LEU 48 HB1 LEU 48 19.407 -2.482 -4.255 392 HG LEU 48 HG LEU 48 19.150 -3.612 -1.466 393 HD11 LEU 48 HD11 LEU 48 19.580 -5.752 -2.556 394 HD12 LEU 48 HD12 LEU 48 19.582 -4.950 -4.126 395 HD13 LEU 48 HD13 LEU 48 18.107 -4.997 -3.163 396 HD21 LEU 48 HD21 LEU 48 21.454 -4.409 -1.804 397 HD22 LEU 48 HD22 LEU 48 21.358 -2.651 -1.756 398 HD23 LEU 48 HD23 LEU 48 21.543 -3.482 -3.302 399 H SER 49 HN SER 49 17.035 -0.313 -3.541 400 HA SER 49 HA SER 49 18.211 1.414 -5.582 401 HB2 SER 49 HB2 SER 49 16.727 -0.360 -6.444 402 HB3 SER 49 HB1 SER 49 15.413 0.261 -5.445 403 HG SER 49 HG SER 49 16.610 1.363 -7.729 404 H GLY 50 HN GLY 50 15.130 1.510 -3.672 405 HA2 GLY 50 HA2 GLY 50 15.499 3.666 -2.187 406 HA3 GLY 50 HA1 GLY 50 15.276 4.384 -3.775 407 H ASN 51 HN ASN 51 13.313 4.774 -4.391 408 HA ASN 51 HA ASN 51 11.107 3.670 -2.783 409 HB2 ASN 51 HB2 ASN 51 11.385 6.057 -2.332 410 HB3 ASN 51 HB1 ASN 51 11.339 6.411 -4.045 411 HD21 ASN 51 HD21 ASN 51 9.434 5.726 -1.278 412 HD22 ASN 51 HD22 ASN 51 7.961 5.931 -2.196 413 H ARG 52 HN ARG 52 11.736 5.296 -5.824 414 HA ARG 52 HA ARG 52 9.337 4.779 -7.103 415 HB2 ARG 52 HB2 ARG 52 10.977 6.481 -7.756 416 HB3 ARG 52 HB1 ARG 52 12.040 5.223 -8.348 417 HG2 ARG 52 HG2 ARG 52 10.458 4.629 -10.069 418 HG3 ARG 52 HG1 ARG 52 9.301 5.812 -9.454 419 HD2 ARG 52 HD2 ARG 52 10.858 7.609 -9.943 420 HD3 ARG 52 HD1 ARG 52 12.058 6.444 -10.489 421 HE ARG 52 HE ARG 52 10.356 5.837 -12.226 422 HH11 ARG 52 HH11 ARG 52 10.389 9.103 -10.844 423 HH12 ARG 52 HH12 ARG 52 9.910 9.870 -12.276 424 HH21 ARG 52 HH21 ARG 52 9.690 6.893 -14.200 425 HH22 ARG 52 HH22 ARG 52 9.458 8.574 -14.225 426 H ASP 53 HN ASP 53 12.139 2.788 -6.936 427 HA ASP 53 HA ASP 53 11.176 0.876 -8.899 428 HB2 ASP 53 HB2 ASP 53 13.610 1.170 -8.608 429 HB3 ASP 53 HB1 ASP 53 13.456 0.704 -6.925 430 H THR 54 HN THR 54 11.862 0.804 -5.444 431 HA THR 54 HA THR 54 10.976 -1.757 -4.871 432 HB THR 54 HB THR 54 11.148 0.633 -3.041 433 HG1 THR 54 HG1 THR 54 13.007 -0.927 -4.399 434 HG21 THR 54 HG21 THR 54 11.728 -1.046 -1.324 435 HG22 THR 54 HG22 THR 54 11.545 -2.336 -2.512 436 HG23 THR 54 HG23 THR 54 10.142 -1.400 -2.006 437 H LEU 55 HN LEU 55 9.149 1.307 -4.972 438 HA LEU 55 HA LEU 55 6.999 0.752 -3.459 439 HB2 LEU 55 HB2 LEU 55 7.924 2.753 -5.058 440 HB3 LEU 55 HB1 LEU 55 6.513 2.195 -5.935 441 HG LEU 55 HG LEU 55 5.315 2.358 -3.758 442 HD11 LEU 55 HD11 LEU 55 7.671 4.044 -3.075 443 HD12 LEU 55 HD12 LEU 55 7.090 2.610 -2.211 444 HD13 LEU 55 HD13 LEU 55 6.148 4.111 -2.214 445 HD21 LEU 55 HD21 LEU 55 6.257 4.875 -5.099 446 HD22 LEU 55 HD22 LEU 55 4.841 4.761 -4.067 447 HD23 LEU 55 HD23 LEU 55 4.883 3.887 -5.607 448 H TRP 56 HN TRP 56 7.686 -0.333 -6.797 449 HA TRP 56 HA TRP 56 5.061 -1.073 -7.443 450 HB2 TRP 56 HB2 TRP 56 7.717 -1.985 -8.514 451 HB3 TRP 56 HB1 TRP 56 6.183 -2.556 -9.127 452 HD1 TRP 56 HD1 TRP 56 8.607 0.265 -9.415 453 HE1 TRP 56 HE1 TRP 56 7.708 1.995 -11.103 454 HE3 TRP 56 HE3 TRP 56 3.897 -1.482 -9.866 455 HZ2 TRP 56 HZ2 TRP 56 5.286 2.548 -12.445 456 HZ3 TRP 56 HZ3 TRP 56 2.298 -0.305 -11.371 457 HH2 TRP 56 HH2 TRP 56 2.995 1.671 -12.628 458 H HIS 57 HN HIS 57 7.775 -2.959 -6.120 459 HA HIS 57 HA HIS 57 6.234 -5.344 -5.999 460 HB2 HIS 57 HB2 HIS 57 8.739 -5.270 -6.178 461 HB3 HIS 57 HB1 HIS 57 8.805 -4.689 -4.519 462 HD1 HIS 57 HD1 HIS 57 10.258 -6.845 -3.976 463 HD2 HIS 57 HD2 HIS 57 6.394 -7.630 -5.273 464 HE1 HIS 57 HE1 HIS 57 9.807 -9.262 -3.418 465 H LEU 58 HN LEU 58 6.765 -2.639 -3.902 466 HA LEU 58 HA LEU 58 5.800 -3.645 -1.462 467 HB2 LEU 58 HB2 LEU 58 6.832 -1.460 -1.617 468 HB3 LEU 58 HB1 LEU 58 5.574 -0.898 -2.674 469 HG LEU 58 HG LEU 58 3.955 -1.264 -0.748 470 HD11 LEU 58 HD11 LEU 58 4.877 -1.226 1.515 471 HD12 LEU 58 HD12 LEU 58 6.488 -1.483 0.843 472 HD13 LEU 58 HD13 LEU 58 5.234 -2.709 0.635 473 HD21 LEU 58 HD21 LEU 58 4.548 0.847 0.379 474 HD22 LEU 58 HD22 LEU 58 4.576 0.959 -1.377 475 HD23 LEU 58 HD23 LEU 58 6.090 0.867 -0.487 476 H PHE 59 HN PHE 59 4.065 -1.773 -3.910 477 HA PHE 59 HA PHE 59 1.509 -2.208 -2.848 478 HB2 PHE 59 HB2 PHE 59 2.385 -1.369 -5.600 479 HB3 PHE 59 HB1 PHE 59 0.688 -1.623 -5.222 480 HD1 PHE 59 HD1 PHE 59 -0.400 -0.242 -3.479 481 HD2 PHE 59 HD2 PHE 59 3.499 0.627 -4.926 482 HE1 PHE 59 HE1 PHE 59 -0.586 2.047 -2.597 483 HE2 PHE 59 HE2 PHE 59 3.309 2.926 -4.042 484 HZ PHE 59 HZ PHE 59 1.276 3.628 -2.881 485 H ASN 60 HN ASN 60 3.355 -4.140 -5.065 486 HA ASN 60 HA ASN 60 1.284 -5.891 -5.878 487 HB2 ASN 60 HB2 ASN 60 3.520 -5.794 -6.996 488 HB3 ASN 60 HB1 ASN 60 4.238 -6.526 -5.573 489 HD21 ASN 60 HD21 ASN 60 4.160 -7.431 -8.359 490 HD22 ASN 60 HD22 ASN 60 3.436 -8.997 -8.335 491 H THR 61 HN THR 61 3.732 -6.300 -3.342 492 HA THR 61 HA THR 61 2.647 -8.712 -2.363 493 HB THR 61 HB THR 61 4.432 -6.748 -0.895 494 HG1 THR 61 HG1 THR 61 5.581 -7.108 -2.664 495 HG21 THR 61 HG21 THR 61 4.220 -9.771 -0.773 496 HG22 THR 61 HG22 THR 61 3.586 -8.664 0.445 497 HG23 THR 61 HG23 THR 61 5.326 -8.772 0.167 498 H LEU 62 HN LEU 62 1.789 -5.401 -1.880 499 HA LEU 62 HA LEU 62 0.550 -5.530 0.604 500 HB2 LEU 62 HB2 LEU 62 1.425 -3.526 -0.389 501 HB3 LEU 62 HB1 LEU 62 0.382 -3.728 -1.780 502 HG LEU 62 HG LEU 62 -1.505 -3.502 -0.324 503 HD11 LEU 62 HD11 LEU 62 0.607 -2.657 1.657 504 HD12 LEU 62 HD12 LEU 62 -0.548 -3.981 1.846 505 HD13 LEU 62 HD13 LEU 62 -1.099 -2.303 1.874 506 HD21 LEU 62 HD21 LEU 62 0.372 -1.162 -0.485 507 HD22 LEU 62 HD22 LEU 62 -1.356 -1.055 -0.129 508 HD23 LEU 62 HD23 LEU 62 -0.817 -1.675 -1.690 509 H GLN 63 HN GLN 63 -0.624 -5.616 -2.797 510 HA GLN 63 HA GLN 63 -3.372 -5.834 -2.031 511 HB2 GLN 63 HB2 GLN 63 -3.893 -6.169 -4.364 512 HB3 GLN 63 HB1 GLN 63 -2.697 -4.891 -4.224 513 HG2 GLN 63 HG2 GLN 63 -1.007 -6.205 -5.118 514 HG3 GLN 63 HG1 GLN 63 -1.859 -7.705 -4.760 515 HE21 GLN 63 HE21 GLN 63 -0.731 -6.740 -7.280 516 HE22 GLN 63 HE22 GLN 63 -2.035 -6.731 -8.394 517 H ARG 64 HN ARG 64 -0.924 -8.064 -2.047 518 HA ARG 64 HA ARG 64 -2.525 -10.378 -2.742 519 HB2 ARG 64 HB2 ARG 64 0.263 -10.199 -1.577 520 HB3 ARG 64 HB1 ARG 64 -0.489 -11.681 -2.155 521 HG2 ARG 64 HG2 ARG 64 -0.621 -10.726 -4.409 522 HG3 ARG 64 HG1 ARG 64 0.114 -9.246 -3.818 523 HD2 ARG 64 HD2 ARG 64 1.793 -10.544 -4.929 524 HD3 ARG 64 HD1 ARG 64 2.136 -10.555 -3.204 525 HE ARG 64 HE ARG 64 0.728 -12.805 -3.517 526 HH11 ARG 64 HH11 ARG 64 3.490 -11.519 -5.284 527 HH12 ARG 64 HH12 ARG 64 4.156 -13.028 -5.685 528 HH21 ARG 64 HH21 ARG 64 1.631 -14.917 -4.038 529 HH22 ARG 64 HH22 ARG 64 3.043 -15.037 -4.959 530 H ARG 65 HN ARG 65 -2.399 -8.428 -0.172 531 HA ARG 65 HA ARG 65 -3.003 -10.520 1.797 532 HB2 ARG 65 HB2 ARG 65 -2.614 -7.547 2.289 533 HB3 ARG 65 HB1 ARG 65 -2.570 -8.841 3.478 534 HG2 ARG 65 HG2 ARG 65 -0.530 -8.388 1.297 535 HG3 ARG 65 HG1 ARG 65 -0.325 -7.966 2.996 536 HD2 ARG 65 HD2 ARG 65 -0.284 -10.241 3.646 537 HD3 ARG 65 HD1 ARG 65 -0.890 -10.779 2.078 538 HE ARG 65 HE ARG 65 1.309 -9.780 1.241 539 HH11 ARG 65 HH11 ARG 65 1.068 -11.281 4.436 540 HH12 ARG 65 HH12 ARG 65 2.562 -12.096 4.348 541 HH21 ARG 65 HH21 ARG 65 3.354 -10.866 1.108 542 HH22 ARG 65 HH22 ARG 65 3.959 -11.791 2.390 543 HA PRO 66 HA PRO 66 -7.241 -9.431 0.875 544 HB2 PRO 66 HB2 PRO 66 -8.516 -10.799 2.778 545 HB3 PRO 66 HB1 PRO 66 -7.609 -11.633 1.511 546 HG2 PRO 66 HG2 PRO 66 -6.773 -10.994 4.316 547 HG3 PRO 66 HG1 PRO 66 -6.621 -12.526 3.441 548 HD2 PRO 66 HD2 PRO 66 -4.569 -10.754 3.710 549 HD3 PRO 66 HD1 PRO 66 -4.744 -11.812 2.299 550 H GLY 67 HN GLY 67 -5.661 -7.811 2.999 551 HA2 GLY 67 HA2 GLY 67 -7.690 -5.973 3.652 552 HA3 GLY 67 HA1 GLY 67 -7.261 -6.939 5.070 553 H TRP 68 HN TRP 68 -6.244 -4.526 2.872 554 HA TRP 68 HA TRP 68 -3.740 -4.342 4.368 555 HB2 TRP 68 HB2 TRP 68 -2.703 -3.451 2.305 556 HB3 TRP 68 HB1 TRP 68 -3.135 -5.141 2.198 557 HD1 TRP 68 HD1 TRP 68 -5.056 -5.777 0.410 558 HE1 TRP 68 HE1 TRP 68 -5.994 -4.509 -1.630 559 HE3 TRP 68 HE3 TRP 68 -3.309 -1.087 1.482 560 HZ2 TRP 68 HZ2 TRP 68 -6.001 -1.870 -2.634 561 HZ3 TRP 68 HZ3 TRP 68 -3.822 0.747 -0.073 562 HH2 TRP 68 HH2 TRP 68 -5.132 0.362 -2.087 563 H VAL 69 HN VAL 69 -6.495 -2.598 3.243 564 HA VAL 69 HA VAL 69 -5.262 -0.100 2.848 565 HB VAL 69 HB VAL 69 -8.173 -0.486 3.559 566 HG11 VAL 69 HG11 VAL 69 -8.494 1.543 2.274 567 HG12 VAL 69 HG12 VAL 69 -6.755 1.658 1.994 568 HG13 VAL 69 HG13 VAL 69 -7.401 1.811 3.631 569 HG21 VAL 69 HG21 VAL 69 -7.593 -1.970 1.700 570 HG22 VAL 69 HG22 VAL 69 -6.859 -0.618 0.838 571 HG23 VAL 69 HG23 VAL 69 -8.596 -0.631 1.141 572 H GLU 70 HN GLU 70 -6.976 -1.373 5.707 573 HA GLU 70 HA GLU 70 -6.984 0.869 7.289 574 HB2 GLU 70 HB2 GLU 70 -6.796 -2.058 7.873 575 HB3 GLU 70 HB1 GLU 70 -6.866 -0.862 9.153 576 HG2 GLU 70 HG2 GLU 70 -8.930 -1.121 6.983 577 HG3 GLU 70 HG1 GLU 70 -9.060 -1.896 8.562 578 H TYR 71 HN TYR 71 -4.430 -1.569 6.920 579 HA TYR 71 HA TYR 71 -2.767 -0.420 8.907 580 HB2 TYR 71 HB2 TYR 71 -2.079 -2.378 6.724 581 HB3 TYR 71 HB1 TYR 71 -1.203 -2.079 8.219 582 HD1 TYR 71 HD1 TYR 71 -2.526 -2.544 10.430 583 HD2 TYR 71 HD2 TYR 71 -3.596 -4.107 6.629 584 HE1 TYR 71 HE1 TYR 71 -3.790 -4.345 11.534 585 HE2 TYR 71 HE2 TYR 71 -4.863 -5.908 7.714 586 HH TYR 71 HH TYR 71 -5.662 -5.871 10.978 587 H PHE 72 HN PHE 72 -3.094 -0.291 5.427 588 HA PHE 72 HA PHE 72 -0.652 0.951 4.856 589 HB2 PHE 72 HB2 PHE 72 -2.112 -0.230 3.201 590 HB3 PHE 72 HB1 PHE 72 -3.224 1.129 3.271 591 HD1 PHE 72 HD1 PHE 72 0.410 0.490 2.717 592 HD2 PHE 72 HD2 PHE 72 -3.054 2.681 1.584 593 HE1 PHE 72 HE1 PHE 72 1.690 1.564 0.916 594 HE2 PHE 72 HE2 PHE 72 -1.776 3.767 -0.225 595 HZ PHE 72 HZ PHE 72 0.598 3.206 -0.555 596 H ILE 73 HN ILE 73 -3.879 2.304 5.459 597 HA ILE 73 HA ILE 73 -3.207 5.013 5.125 598 HB ILE 73 HB ILE 73 -5.265 3.788 7.004 599 HG12 ILE 73 HG12 ILE 73 -5.602 5.008 4.255 600 HG13 ILE 73 HG11 ILE 73 -5.562 3.281 4.590 601 HG21 ILE 73 HG21 ILE 73 -4.723 6.080 7.706 602 HG22 ILE 73 HG22 ILE 73 -6.350 5.993 7.034 603 HG23 ILE 73 HG23 ILE 73 -5.034 6.657 6.068 604 HD11 ILE 73 HD11 ILE 73 -7.618 5.233 5.598 605 HD12 ILE 73 HD12 ILE 73 -7.588 3.501 5.929 606 HD13 ILE 73 HD13 ILE 73 -7.833 4.079 4.281 607 H ALA 74 HN ALA 74 -2.900 2.896 7.912 608 HA ALA 74 HA ALA 74 -2.064 4.874 9.753 609 HB1 ALA 74 HB1 ALA 74 -1.584 1.894 9.797 610 HB2 ALA 74 HB2 ALA 74 -2.984 2.723 10.477 611 HB3 ALA 74 HB3 ALA 74 -1.381 2.989 11.163 612 H ALA 75 HN ALA 75 -0.467 3.116 7.281 613 HA ALA 75 HA ALA 75 2.194 3.362 8.245 614 HB1 ALA 75 HB1 ALA 75 1.222 2.837 5.448 615 HB2 ALA 75 HB2 ALA 75 1.487 1.611 6.675 616 HB3 ALA 75 HB3 ALA 75 2.847 2.554 6.062 617 H LEU 76 HN LEU 76 0.439 5.087 5.540 618 HA LEU 76 HA LEU 76 2.476 6.902 5.069 619 HB2 LEU 76 HB2 LEU 76 -0.497 7.102 4.705 620 HB3 LEU 76 HB1 LEU 76 0.625 8.309 4.129 621 HG LEU 76 HG LEU 76 -0.061 7.046 2.349 622 HD11 LEU 76 HD11 LEU 76 2.268 7.577 2.248 623 HD12 LEU 76 HD12 LEU 76 1.978 6.028 1.462 624 HD13 LEU 76 HD13 LEU 76 2.679 6.078 3.080 625 HD21 LEU 76 HD21 LEU 76 0.677 4.534 3.787 626 HD22 LEU 76 HD22 LEU 76 0.190 4.633 2.092 627 HD23 LEU 76 HD23 LEU 76 -0.940 5.097 3.361 628 H ARG 77 HN ARG 77 -0.257 6.988 7.266 629 HA ARG 77 HA ARG 77 0.158 9.654 8.132 630 HB2 ARG 77 HB2 ARG 77 -1.974 8.350 8.296 631 HB3 ARG 77 HB1 ARG 77 -1.241 7.398 9.570 632 HG2 ARG 77 HG2 ARG 77 -1.064 9.342 10.979 633 HG3 ARG 77 HG1 ARG 77 -1.690 10.366 9.680 634 HD2 ARG 77 HD2 ARG 77 -3.471 9.858 11.241 635 HD3 ARG 77 HD1 ARG 77 -3.778 9.069 9.696 636 HE ARG 77 HE ARG 77 -2.416 7.264 11.291 637 HH11 ARG 77 HH11 ARG 77 -5.598 8.852 11.275 638 HH12 ARG 77 HH12 ARG 77 -6.339 7.652 12.218 639 HH21 ARG 77 HH21 ARG 77 -3.471 5.610 12.517 640 HH22 ARG 77 HH22 ARG 77 -5.128 5.751 12.889 641 H GLY 78 HN GLY 78 1.453 6.572 9.018 642 HA2 GLY 78 HA2 GLY 78 2.555 7.287 11.516 643 HA3 GLY 78 HA1 GLY 78 2.999 5.890 10.549 644 H CYS 79 HN CYS 79 3.760 7.407 8.221 645 HA CYS 79 HA CYS 79 6.345 8.273 9.163 646 HB2 CYS 79 HB2 CYS 79 6.905 8.337 6.667 647 HB3 CYS 79 HB1 CYS 79 6.509 6.768 7.342 648 HG CYS 79 HG CYS 79 4.129 6.475 6.221 649 H GLU 80 HN GLU 80 3.694 9.780 9.279 650 HA GLU 80 HA GLU 80 3.054 11.892 9.525 651 HB2 GLU 80 HB2 GLU 80 5.961 12.419 9.056 652 HB3 GLU 80 HB1 GLU 80 4.824 13.750 9.238 653 HG2 GLU 80 HG2 GLU 80 5.336 11.572 11.255 654 HG3 GLU 80 HG1 GLU 80 5.961 13.223 11.324 655 H LEU 81 HN LEU 81 3.229 10.553 6.798 656 HA LEU 81 HA LEU 81 2.887 12.977 5.225 657 HB2 LEU 81 HB2 LEU 81 3.085 10.087 4.335 658 HB3 LEU 81 HB1 LEU 81 2.956 11.471 3.265 659 HG LEU 81 HG LEU 81 5.272 10.949 5.137 660 HD11 LEU 81 HD11 LEU 81 5.099 10.614 2.150 661 HD12 LEU 81 HD12 LEU 81 5.252 9.329 3.351 662 HD13 LEU 81 HD13 LEU 81 6.561 10.477 3.126 663 HD21 LEU 81 HD21 LEU 81 4.922 13.321 4.746 664 HD22 LEU 81 HD22 LEU 81 4.896 13.044 3.002 665 HD23 LEU 81 HD23 LEU 81 6.373 12.758 3.919 666 H VAL 82 HN VAL 82 1.029 13.562 6.175 667 HA VAL 82 HA VAL 82 -1.127 11.842 6.736 668 HB VAL 82 HB VAL 82 -1.187 14.859 6.527 669 HG11 VAL 82 HG11 VAL 82 -3.101 14.729 8.055 670 HG12 VAL 82 HG12 VAL 82 -3.034 12.969 7.985 671 HG13 VAL 82 HG13 VAL 82 -3.425 13.895 6.535 672 HG21 VAL 82 HG21 VAL 82 -0.821 14.851 8.958 673 HG22 VAL 82 HG22 VAL 82 0.534 14.131 8.091 674 HG23 VAL 82 HG23 VAL 82 -0.636 13.098 8.914 675 H ASP 83 HN ASP 83 -0.459 13.990 4.037 676 HA ASP 83 HA ASP 83 -3.010 13.912 2.831 677 HB2 ASP 83 HB2 ASP 83 -0.333 14.193 1.447 678 HB3 ASP 83 HB1 ASP 83 -1.889 14.420 0.672 679 H LEU 84 HN LEU 84 -0.217 11.876 2.408 680 HA LEU 84 HA LEU 84 -1.335 10.261 0.394 681 HB2 LEU 84 HB2 LEU 84 0.937 9.777 2.290 682 HB3 LEU 84 HB1 LEU 84 0.490 8.658 1.016 683 HG LEU 84 HG LEU 84 1.363 11.514 0.547 684 HD11 LEU 84 HD11 LEU 84 3.171 10.108 1.424 685 HD12 LEU 84 HD12 LEU 84 3.433 10.533 -0.268 686 HD13 LEU 84 HD13 LEU 84 2.855 8.922 0.160 687 HD21 LEU 84 HD21 LEU 84 -0.148 10.616 -1.171 688 HD22 LEU 84 HD22 LEU 84 0.919 9.210 -1.332 689 HD23 LEU 84 HD23 LEU 84 1.503 10.808 -1.776 690 H ALA 85 HN ALA 85 -1.657 10.202 3.806 691 HA ALA 85 HA ALA 85 -2.741 7.518 3.886 692 HB1 ALA 85 HB1 ALA 85 -2.815 9.706 5.968 693 HB2 ALA 85 HB2 ALA 85 -1.568 8.472 5.839 694 HB3 ALA 85 HB3 ALA 85 -3.224 8.013 6.233 695 H ASP 86 HN ASP 86 -3.903 10.809 4.097 696 HA ASP 86 HA ASP 86 -6.620 10.196 4.552 697 HB2 ASP 86 HB2 ASP 86 -5.477 12.355 5.111 698 HB3 ASP 86 HB1 ASP 86 -5.477 12.736 3.394 699 H GLU 87 HN GLU 87 -4.746 10.808 1.619 700 HA GLU 87 HA GLU 87 -6.999 11.001 -0.072 701 HB2 GLU 87 HB2 GLU 87 -5.448 10.980 -1.930 702 HB3 GLU 87 HB1 GLU 87 -4.727 11.872 -0.603 703 HG2 GLU 87 HG2 GLU 87 -3.306 10.081 -0.046 704 HG3 GLU 87 HG1 GLU 87 -4.028 9.072 -1.305 705 H VAL 88 HN VAL 88 -5.241 8.337 1.147 706 HA VAL 88 HA VAL 88 -6.515 6.438 -0.623 707 HB VAL 88 HB VAL 88 -5.029 5.917 1.987 708 HG11 VAL 88 HG11 VAL 88 -6.561 4.090 1.425 709 HG12 VAL 88 HG12 VAL 88 -4.881 3.589 1.249 710 HG13 VAL 88 HG13 VAL 88 -5.841 3.972 -0.181 711 HG21 VAL 88 HG21 VAL 88 -4.100 5.668 -0.871 712 HG22 VAL 88 HG22 VAL 88 -3.170 5.228 0.564 713 HG23 VAL 88 HG23 VAL 88 -3.611 6.911 0.280 714 H ALA 89 HN ALA 89 -7.016 7.759 2.543 715 HA ALA 89 HA ALA 89 -9.001 6.020 3.477 716 HB1 ALA 89 HB1 ALA 89 -9.506 7.729 5.130 717 HB2 ALA 89 HB2 ALA 89 -8.626 8.928 4.185 718 HB3 ALA 89 HB3 ALA 89 -7.761 7.578 4.922 719 H SER 90 HN SER 90 -9.252 8.932 1.466 720 HA SER 90 HA SER 90 -12.065 9.068 1.560 721 HB2 SER 90 HB2 SER 90 -11.683 10.491 -0.531 722 HB3 SER 90 HB1 SER 90 -10.876 11.024 0.948 723 HG SER 90 HG SER 90 -9.772 10.470 -1.352 724 H VAL 91 HN VAL 91 -9.783 7.538 -0.618 725 HA VAL 91 HA VAL 91 -11.607 6.555 -2.533 726 HB VAL 91 HB VAL 91 -8.948 5.358 -1.678 727 HG11 VAL 91 HG11 VAL 91 -10.531 4.936 -4.210 728 HG12 VAL 91 HG12 VAL 91 -10.287 3.749 -2.927 729 HG13 VAL 91 HG13 VAL 91 -8.917 4.304 -3.890 730 HG21 VAL 91 HG21 VAL 91 -8.723 7.658 -2.419 731 HG22 VAL 91 HG22 VAL 91 -9.598 7.278 -3.905 732 HG23 VAL 91 HG23 VAL 91 -8.023 6.549 -3.597 733 H TYR 92 HN TYR 92 -10.261 5.116 0.381 734 HA TYR 92 HA TYR 92 -11.687 2.686 0.157 735 HB2 TYR 92 HB2 TYR 92 -9.619 2.955 1.446 736 HB3 TYR 92 HB1 TYR 92 -10.461 3.980 2.590 737 HD1 TYR 92 HD1 TYR 92 -11.042 0.596 1.061 738 HD2 TYR 92 HD2 TYR 92 -10.923 2.967 4.582 739 HE1 TYR 92 HE1 TYR 92 -11.594 -1.391 2.407 740 HE2 TYR 92 HE2 TYR 92 -11.485 0.998 5.937 741 HH TYR 92 HH TYR 92 -12.497 -1.119 5.709 742 H GLN 93 HN GLN 93 -12.517 5.806 1.456 743 HA GLN 93 HA GLN 93 -14.807 4.851 2.897 744 HB2 GLN 93 HB2 GLN 93 -13.567 7.035 3.361 745 HB3 GLN 93 HB1 GLN 93 -14.348 7.679 1.926 746 HG2 GLN 93 HG2 GLN 93 -16.542 7.266 2.948 747 HG3 GLN 93 HG1 GLN 93 -15.743 6.656 4.393 748 HE21 GLN 93 HE21 GLN 93 -16.568 8.195 5.729 749 HE22 GLN 93 HE22 GLN 93 -16.106 9.845 5.681 750 H SER 94 HN SER 94 -14.073 5.363 -0.326 751 HA SER 94 HA SER 94 -16.827 5.718 -1.146 752 HB2 SER 94 HB2 SER 94 -14.331 5.318 -2.827 753 HB3 SER 94 HB1 SER 94 -15.904 5.863 -3.412 754 HG SER 94 HG SER 94 -14.288 7.235 -1.505 755 H TYR 95 HN TYR 95 -14.189 3.340 -1.243 756 HA TYR 95 HA TYR 95 -16.066 1.296 -2.140 757 HB2 TYR 95 HB2 TYR 95 -13.040 1.122 -1.945 758 HB3 TYR 95 HB1 TYR 95 -14.123 -0.082 -2.601 759 HD1 TYR 95 HD1 TYR 95 -15.536 0.552 -4.631 760 HD2 TYR 95 HD2 TYR 95 -12.161 2.785 -3.357 761 HE1 TYR 95 HE1 TYR 95 -15.372 1.563 -6.867 762 HE2 TYR 95 HE2 TYR 95 -11.981 3.806 -5.591 763 HH TYR 95 HH TYR 95 -14.474 3.567 -7.858 764 H GLN 96 HN GLN 96 -17.123 1.445 -0.168 765 HA GLN 96 HA GLN 96 -17.700 0.748 1.870 766 HB2 GLN 96 HB2 GLN 96 -16.721 -1.812 0.617 767 HB3 GLN 96 HB1 GLN 96 -17.616 -1.772 2.127 768 HG2 GLN 96 HG2 GLN 96 -19.198 -2.258 0.428 769 HG3 GLN 96 HG1 GLN 96 -19.463 -0.589 0.903 770 HE21 GLN 96 HE21 GLN 96 -16.925 -1.735 -1.233 771 HE22 GLN 96 HE22 GLN 96 -17.507 -0.952 -2.667 772 HA PRO 97 HA PRO 97 -13.802 1.054 4.161 773 HB2 PRO 97 HB2 PRO 97 -14.579 2.977 5.844 774 HB3 PRO 97 HB1 PRO 97 -14.121 3.352 4.177 775 HG2 PRO 97 HG2 PRO 97 -16.840 2.981 5.369 776 HG3 PRO 97 HG1 PRO 97 -16.323 4.282 4.306 777 HD2 PRO 97 HD2 PRO 97 -17.696 2.132 3.415 778 HD3 PRO 97 HD1 PRO 97 -16.481 2.934 2.403 779 H ARG 98 HN ARG 98 -17.068 0.574 5.217 780 HA ARG 98 HA ARG 98 -16.169 -0.783 7.640 781 HB2 ARG 98 HB2 ARG 98 -18.007 0.315 8.881 782 HB3 ARG 98 HB1 ARG 98 -16.766 1.449 8.364 783 HG2 ARG 98 HG2 ARG 98 -18.150 2.284 6.599 784 HG3 ARG 98 HG1 ARG 98 -19.322 0.993 6.834 785 HD2 ARG 98 HD2 ARG 98 -20.136 3.075 7.757 786 HD3 ARG 98 HD1 ARG 98 -19.860 1.894 9.035 787 HE ARG 98 HE ARG 98 -17.746 3.797 8.482 788 HH11 ARG 98 HH11 ARG 98 -20.354 2.702 10.624 789 HH12 ARG 98 HH12 ARG 98 -19.964 3.805 11.867 790 HH21 ARG 98 HH21 ARG 98 -17.205 5.289 10.244 791 HH22 ARG 98 HH22 ARG 98 -18.145 5.266 11.664 792 H THR 99 HN THR 99 -17.815 -2.170 8.446 793 HA THR 99 HA THR 99 -19.808 -2.965 6.480 794 HB THR 99 HB THR 99 -18.885 -4.369 9.018 795 HG1 THR 99 HG1 THR 99 -18.341 -4.918 6.289 796 HG21 THR 99 HG21 THR 99 -20.565 -5.369 6.698 797 HG22 THR 99 HG22 THR 99 -21.172 -4.990 8.308 798 HG23 THR 99 HG23 THR 99 -20.040 -6.328 8.085 799 H SER 100 HN SER 100 -19.367 -1.797 9.809 800 HA SER 100 HA SER 100 -22.206 -1.192 9.890 801 HB2 SER 100 HB2 SER 100 -20.461 -2.086 12.204 802 HB3 SER 100 HB1 SER 100 -22.177 -1.685 12.291 803 HG SER 100 HG SER 100 -22.131 -3.454 10.448 Start of MODEL 3 1 H1 GLY -1 HT1 GLY -1 -10.455 -14.025 4.265 2 H2 GLY -1 HT2 GLY -1 -11.916 -14.880 4.256 3 H3 GLY -1 HT3 GLY -1 -11.670 -13.611 3.167 4 HA2 GLY -1 HA1 GLY -1 -10.221 -16.178 3.240 5 HA3 GLY -1 HA2 GLY -1 -11.441 -15.707 2.061 6 H SER 0 HN SER 0 -10.040 -15.840 0.326 7 HA SER 0 HA SER 0 -7.891 -13.851 0.318 8 HB2 SER 0 HB2 SER 0 -8.307 -16.182 -1.559 9 HB3 SER 0 HB1 SER 0 -6.902 -15.120 -1.504 10 HG SER 0 HG SER 0 -7.282 -16.166 0.932 11 H MET 1 HN MET 1 -9.550 -12.164 -0.064 12 HA MET 1 HA MET 1 -9.982 -11.789 -2.759 13 HB2 MET 1 HB2 MET 1 -12.408 -11.679 -2.822 14 HB3 MET 1 HB1 MET 1 -11.782 -13.303 -2.580 15 HG2 MET 1 HG2 MET 1 -12.450 -13.269 -0.255 16 HG3 MET 1 HG1 MET 1 -12.918 -11.575 -0.372 17 HE1 MET 1 HE1 MET 1 -16.046 -11.771 -2.752 18 HE2 MET 1 HE2 MET 1 -14.386 -11.582 -3.289 19 HE3 MET 1 HE3 MET 1 -14.954 -10.705 -1.865 20 HA PRO 2 HA PRO 2 -9.965 -7.831 -0.610 21 HB2 PRO 2 HB2 PRO 2 -8.498 -6.633 -2.612 22 HB3 PRO 2 HB1 PRO 2 -7.770 -7.444 -1.216 23 HG2 PRO 2 HG2 PRO 2 -8.126 -8.442 -4.001 24 HG3 PRO 2 HG1 PRO 2 -6.765 -8.675 -2.893 25 HD2 PRO 2 HD2 PRO 2 -8.676 -10.590 -3.329 26 HD3 PRO 2 HD1 PRO 2 -7.813 -10.457 -1.816 27 H PHE 3 HN PHE 3 -11.876 -6.942 -0.947 28 HA PHE 3 HA PHE 3 -13.101 -7.146 -3.615 29 HB2 PHE 3 HB2 PHE 3 -14.298 -8.192 -1.679 30 HB3 PHE 3 HB1 PHE 3 -14.399 -6.604 -0.936 31 HD1 PHE 3 HD2 PHE 3 -15.553 -8.657 -3.769 32 HD2 PHE 3 HD1 PHE 3 -16.090 -5.059 -1.567 33 HE1 PHE 3 HE2 PHE 3 -17.695 -8.276 -4.914 34 HE2 PHE 3 HE1 PHE 3 -18.228 -4.674 -2.703 35 HZ PHE 3 HZ PHE 3 -19.037 -6.279 -4.378 36 H ALA 4 HN ALA 4 -13.222 -4.951 -0.844 37 HA ALA 4 HA ALA 4 -13.689 -2.720 -2.623 38 HB1 ALA 4 HB1 ALA 4 -13.904 -1.438 -0.518 39 HB2 ALA 4 HB2 ALA 4 -13.453 -2.889 0.382 40 HB3 ALA 4 HB3 ALA 4 -14.936 -2.850 -0.567 41 H GLU 5 HN GLU 5 -11.225 -4.265 -0.867 42 HA GLU 5 HA GLU 5 -9.271 -2.263 -0.759 43 HB2 GLU 5 HB2 GLU 5 -8.946 -5.275 -0.914 44 HB3 GLU 5 HB1 GLU 5 -7.717 -4.139 -0.384 45 HG2 GLU 5 HG2 GLU 5 -8.619 -5.195 1.578 46 HG3 GLU 5 HG1 GLU 5 -9.209 -3.547 1.540 47 H ASP 6 HN ASP 6 -10.249 -4.597 -3.166 48 HA ASP 6 HA ASP 6 -8.149 -4.276 -5.052 49 HB2 ASP 6 HB2 ASP 6 -9.511 -6.182 -5.336 50 HB3 ASP 6 HB1 ASP 6 -10.990 -5.245 -5.225 51 H LYS 7 HN LYS 7 -11.093 -2.577 -4.436 52 HA LYS 7 HA LYS 7 -11.029 -1.035 -6.853 53 HB2 LYS 7 HB2 LYS 7 -12.522 -0.249 -4.358 54 HB3 LYS 7 HB1 LYS 7 -12.937 0.104 -6.028 55 HG2 LYS 7 HG2 LYS 7 -13.130 -2.553 -4.624 56 HG3 LYS 7 HG1 LYS 7 -14.460 -1.537 -5.168 57 HD2 LYS 7 HD2 LYS 7 -13.861 -1.940 -7.472 58 HD3 LYS 7 HD1 LYS 7 -12.422 -2.834 -6.972 59 HE2 LYS 7 HE2 LYS 7 -13.944 -4.405 -5.760 60 HE3 LYS 7 HE1 LYS 7 -15.298 -3.578 -6.536 61 HZ1 LYS 7 HZ1 LYS 7 -14.596 -5.585 -7.734 62 HZ2 LYS 7 HZ2 LYS 7 -13.051 -4.920 -7.917 63 HZ3 LYS 7 HZ3 LYS 7 -14.374 -4.194 -8.684 64 H THR 8 HN THR 8 -10.079 -0.638 -3.533 65 HA THR 8 HA THR 8 -9.258 2.031 -3.628 66 HB THR 8 HB THR 8 -8.164 -0.210 -1.893 67 HG1 THR 8 HG1 THR 8 -10.515 0.031 -1.772 68 HG21 THR 8 HG21 THR 8 -8.304 2.784 -1.441 69 HG22 THR 8 HG22 THR 8 -6.841 1.870 -1.807 70 HG23 THR 8 HG23 THR 8 -7.693 1.597 -0.289 71 H TYR 9 HN TYR 9 -7.452 -1.021 -4.076 72 HA TYR 9 HA TYR 9 -4.953 0.038 -4.578 73 HB2 TYR 9 HB2 TYR 9 -5.129 -2.355 -4.282 74 HB3 TYR 9 HB1 TYR 9 -6.179 -2.500 -5.690 75 HD1 TYR 9 HD1 TYR 9 -2.694 -1.779 -4.625 76 HD2 TYR 9 HD2 TYR 9 -5.278 -2.662 -7.888 77 HE1 TYR 9 HE1 TYR 9 -0.743 -2.075 -6.106 78 HE2 TYR 9 HE2 TYR 9 -3.336 -2.958 -9.354 79 HH TYR 9 HH TYR 9 -0.188 -3.224 -8.244 80 H LYS 10 HN LYS 10 -7.488 -0.690 -6.978 81 HA LYS 10 HA LYS 10 -5.822 0.063 -9.091 82 HB2 LYS 10 HB2 LYS 10 -8.792 -0.273 -9.086 83 HB3 LYS 10 HB1 LYS 10 -7.829 0.016 -10.539 84 HG2 LYS 10 HG2 LYS 10 -6.420 -1.960 -9.773 85 HG3 LYS 10 HG1 LYS 10 -7.755 -2.326 -8.689 86 HD2 LYS 10 HD2 LYS 10 -7.868 -2.125 -11.686 87 HD3 LYS 10 HD1 LYS 10 -7.852 -3.584 -10.698 88 HE2 LYS 10 HE2 LYS 10 -10.004 -1.460 -10.764 89 HE3 LYS 10 HE1 LYS 10 -10.129 -3.075 -11.455 90 HZ1 LYS 10 HZ1 LYS 10 -9.856 -2.426 -8.573 91 HZ2 LYS 10 HZ2 LYS 10 -9.941 -3.986 -9.168 92 HZ3 LYS 10 HZ3 LYS 10 -11.245 -2.933 -9.352 93 H TYR 11 HN TYR 11 -7.662 1.984 -6.983 94 HA TYR 11 HA TYR 11 -7.764 4.296 -8.686 95 HB2 TYR 11 HB2 TYR 11 -9.279 3.936 -6.651 96 HB3 TYR 11 HB1 TYR 11 -7.859 4.150 -5.675 97 HD1 TYR 11 HD2 TYR 11 -10.078 5.944 -8.038 98 HD2 TYR 11 HD1 TYR 11 -7.002 6.274 -5.125 99 HE1 TYR 11 HE2 TYR 11 -10.401 8.382 -7.977 100 HE2 TYR 11 HE1 TYR 11 -7.308 8.706 -5.054 101 HH TYR 11 HH TYR 11 -8.166 10.454 -6.390 102 H ILE 12 HN ILE 12 -5.898 3.247 -5.899 103 HA ILE 12 HA ILE 12 -4.063 5.416 -5.862 104 HB ILE 12 HB ILE 12 -3.919 2.685 -4.547 105 HG12 ILE 12 HG12 ILE 12 -5.959 3.965 -4.019 106 HG13 ILE 12 HG11 ILE 12 -4.924 3.771 -2.596 107 HG21 ILE 12 HG21 ILE 12 -1.727 3.770 -4.551 108 HG22 ILE 12 HG22 ILE 12 -2.406 3.745 -2.920 109 HG23 ILE 12 HG23 ILE 12 -2.441 5.232 -3.865 110 HD11 ILE 12 HD11 ILE 12 -5.120 6.247 -4.314 111 HD12 ILE 12 HD12 ILE 12 -4.180 6.080 -2.835 112 HD13 ILE 12 HD13 ILE 12 -5.941 6.000 -2.782 113 H CYS 13 HN CYS 13 -4.081 2.466 -7.603 114 HA CYS 13 HA CYS 13 -1.340 2.352 -8.264 115 HB2 CYS 13 HB2 CYS 13 -3.096 0.548 -8.584 116 HB3 CYS 13 HB1 CYS 13 -3.655 1.442 -9.983 117 HG CYS 13 HG CYS 13 -1.179 -0.725 -9.755 118 H ARG 14 HN ARG 14 -3.922 4.370 -9.324 119 HA ARG 14 HA ARG 14 -2.681 5.291 -11.781 120 HB2 ARG 14 HB2 ARG 14 -4.891 6.564 -10.149 121 HB3 ARG 14 HB1 ARG 14 -4.393 7.052 -11.761 122 HG2 ARG 14 HG2 ARG 14 -5.106 4.858 -12.615 123 HG3 ARG 14 HG1 ARG 14 -5.578 4.453 -10.954 124 HD2 ARG 14 HD2 ARG 14 -7.476 5.195 -12.417 125 HD3 ARG 14 HD1 ARG 14 -7.285 6.085 -10.910 126 HE ARG 14 HE ARG 14 -5.975 7.689 -12.521 127 HH11 ARG 14 HH11 ARG 14 -8.980 5.969 -13.324 128 HH12 ARG 14 HH12 ARG 14 -9.634 7.241 -14.225 129 HH21 ARG 14 HH21 ARG 14 -6.898 9.461 -13.781 130 HH22 ARG 14 HH22 ARG 14 -8.428 9.259 -14.492 131 H ASN 15 HN ASN 15 -3.158 6.514 -8.527 132 HA ASN 15 HA ASN 15 -1.468 8.817 -9.026 133 HB2 ASN 15 HB2 ASN 15 -2.082 9.445 -6.669 134 HB3 ASN 15 HB1 ASN 15 -3.448 9.307 -7.780 135 HD21 ASN 15 HD21 ASN 15 -4.912 7.670 -7.536 136 HD22 ASN 15 HD22 ASN 15 -4.955 6.758 -6.073 137 H PHE 16 HN PHE 16 -0.667 5.961 -8.759 138 HA PHE 16 HA PHE 16 1.025 5.508 -6.639 139 HB2 PHE 16 HB2 PHE 16 0.636 3.766 -8.243 140 HB3 PHE 16 HB1 PHE 16 1.323 4.722 -9.542 141 HD1 PHE 16 HD1 PHE 16 2.254 3.172 -6.285 142 HD2 PHE 16 HD2 PHE 16 3.519 4.339 -10.173 143 HE1 PHE 16 HE1 PHE 16 4.438 2.109 -5.899 144 HE2 PHE 16 HE2 PHE 16 5.700 3.287 -9.789 145 HZ PHE 16 HZ PHE 16 6.163 2.171 -7.651 146 H SER 17 HN SER 17 1.515 7.637 -9.375 147 HA SER 17 HA SER 17 4.217 8.227 -9.116 148 HB2 SER 17 HB2 SER 17 1.991 10.126 -9.852 149 HB3 SER 17 HB1 SER 17 3.688 10.246 -10.329 150 HG SER 17 HG SER 17 2.493 9.365 -11.975 151 H ASN 18 HN ASN 18 1.448 9.337 -7.227 152 HA ASN 18 HA ASN 18 2.789 11.449 -5.830 153 HB2 ASN 18 HB2 ASN 18 0.292 9.872 -5.141 154 HB3 ASN 18 HB1 ASN 18 0.821 11.268 -4.231 155 HD21 ASN 18 HD21 ASN 18 -1.661 10.883 -5.542 156 HD22 ASN 18 HD22 ASN 18 -1.800 12.081 -6.767 157 H PHE 19 HN PHE 19 2.324 8.059 -5.458 158 HA PHE 19 HA PHE 19 3.506 8.015 -2.831 159 HB2 PHE 19 HB2 PHE 19 2.305 5.881 -4.580 160 HB3 PHE 19 HB1 PHE 19 3.111 5.530 -3.059 161 HD1 PHE 19 HD2 PHE 19 0.229 7.251 -4.592 162 HD2 PHE 19 HD1 PHE 19 2.041 5.896 -0.991 163 HE1 PHE 19 HE2 PHE 19 -1.857 7.692 -3.375 164 HE2 PHE 19 HE1 PHE 19 -0.044 6.337 0.227 165 HZ PHE 19 HZ PHE 19 -1.996 7.238 -0.968 166 H CYS 20 HN CYS 20 4.920 8.488 -5.681 167 HA CYS 20 HA CYS 20 6.940 6.452 -5.384 168 HB2 CYS 20 HB2 CYS 20 6.617 8.691 -7.376 169 HB3 CYS 20 HB1 CYS 20 7.957 7.554 -7.382 170 HG CYS 20 HG CYS 20 4.831 6.332 -7.405 171 H ASN 21 HN ASN 21 6.326 9.058 -3.745 172 HA ASN 21 HA ASN 21 9.112 9.395 -3.077 173 HB2 ASN 21 HB2 ASN 21 8.539 11.393 -4.463 174 HB3 ASN 21 HB1 ASN 21 7.197 11.728 -3.376 175 HD21 ASN 21 HD21 ASN 21 10.677 11.641 -3.659 176 HD22 ASN 21 HD22 ASN 21 10.994 12.657 -2.301 177 H VAL 22 HN VAL 22 8.544 7.897 -1.568 178 HA VAL 22 HA VAL 22 7.517 9.001 0.841 179 HB VAL 22 HB VAL 22 5.523 8.127 -0.587 180 HG11 VAL 22 HG11 VAL 22 6.580 5.481 0.096 181 HG12 VAL 22 HG12 VAL 22 6.381 6.231 -1.503 182 HG13 VAL 22 HG13 VAL 22 4.963 5.873 -0.508 183 HG21 VAL 22 HG21 VAL 22 4.391 7.084 1.334 184 HG22 VAL 22 HG22 VAL 22 5.198 8.606 1.697 185 HG23 VAL 22 HG23 VAL 22 5.939 7.078 2.189 186 H ASP 23 HN ASP 23 7.955 7.359 2.593 187 HA ASP 23 HA ASP 23 10.420 6.005 1.891 188 HB2 ASP 23 HB2 ASP 23 10.112 7.369 4.093 189 HB3 ASP 23 HB1 ASP 23 9.149 6.001 4.609 190 H VAL 24 HN VAL 24 10.718 3.798 2.038 191 HA VAL 24 HA VAL 24 8.244 2.253 1.787 192 HB VAL 24 HB VAL 24 11.105 1.392 1.304 193 HG11 VAL 24 HG11 VAL 24 10.120 -0.380 -0.011 194 HG12 VAL 24 HG12 VAL 24 8.505 0.177 0.431 195 HG13 VAL 24 HG13 VAL 24 9.587 -0.481 1.674 196 HG21 VAL 24 HG21 VAL 24 9.049 2.236 -0.689 197 HG22 VAL 24 HG22 VAL 24 10.732 1.798 -1.026 198 HG23 VAL 24 HG23 VAL 24 10.341 3.264 -0.107 199 H VAL 25 HN VAL 25 10.963 2.638 3.875 200 HA VAL 25 HA VAL 25 10.499 0.016 5.034 201 HB VAL 25 HB VAL 25 12.616 0.300 6.278 202 HG11 VAL 25 HG11 VAL 25 12.774 0.541 3.254 203 HG12 VAL 25 HG12 VAL 25 12.558 -0.944 4.170 204 HG13 VAL 25 HG13 VAL 25 14.075 -0.058 4.284 205 HG21 VAL 25 HG21 VAL 25 12.782 2.729 6.310 206 HG22 VAL 25 HG22 VAL 25 12.961 2.757 4.555 207 HG23 VAL 25 HG23 VAL 25 14.216 2.030 5.558 208 H GLU 26 HN GLU 26 10.290 3.360 5.894 209 HA GLU 26 HA GLU 26 9.812 3.021 8.617 210 HB2 GLU 26 HB2 GLU 26 9.037 5.082 6.597 211 HB3 GLU 26 HB1 GLU 26 8.692 5.292 8.286 212 HG2 GLU 26 HG2 GLU 26 11.369 5.109 6.938 213 HG3 GLU 26 HG1 GLU 26 10.676 6.500 7.768 214 H ILE 27 HN ILE 27 7.923 2.477 5.838 215 HA ILE 27 HA ILE 27 5.280 2.459 7.110 216 HB ILE 27 HB ILE 27 6.365 1.920 4.353 217 HG12 ILE 27 HG12 ILE 27 4.403 3.987 5.360 218 HG13 ILE 27 HG11 ILE 27 6.107 4.252 5.003 219 HG21 ILE 27 HG21 ILE 27 4.657 0.265 4.586 220 HG22 ILE 27 HG22 ILE 27 4.097 1.536 3.499 221 HG23 ILE 27 HG23 ILE 27 3.501 1.466 5.153 222 HD11 ILE 27 HD11 ILE 27 4.009 3.444 3.002 223 HD12 ILE 27 HD12 ILE 27 5.732 3.754 2.702 224 HD13 ILE 27 HD13 ILE 27 4.683 5.073 3.224 225 H LEU 28 HN LEU 28 7.705 0.136 6.166 226 HA LEU 28 HA LEU 28 6.210 -2.158 6.059 227 HB2 LEU 28 HB2 LEU 28 9.012 -1.856 7.087 228 HB3 LEU 28 HB1 LEU 28 8.278 -3.398 6.683 229 HG LEU 28 HG LEU 28 8.794 -1.132 4.762 230 HD11 LEU 28 HD11 LEU 28 10.852 -2.205 5.510 231 HD12 LEU 28 HD12 LEU 28 10.503 -2.598 3.827 232 HD13 LEU 28 HD13 LEU 28 10.186 -3.784 5.094 233 HD21 LEU 28 HD21 LEU 28 7.750 -3.919 4.309 234 HD22 LEU 28 HD22 LEU 28 8.216 -2.788 3.045 235 HD23 LEU 28 HD23 LEU 28 6.854 -2.415 4.095 236 HA PRO 29 HA PRO 29 6.688 -3.133 10.830 237 HB2 PRO 29 HB2 PRO 29 6.965 -0.954 12.483 238 HB3 PRO 29 HB1 PRO 29 8.325 -1.929 11.911 239 HG2 PRO 29 HG2 PRO 29 7.275 0.667 10.857 240 HG3 PRO 29 HG1 PRO 29 8.956 0.174 11.141 241 HD2 PRO 29 HD2 PRO 29 7.908 0.142 8.686 242 HD3 PRO 29 HD1 PRO 29 9.032 -1.120 9.222 243 H TYR 30 HN TYR 30 5.101 -0.454 9.449 244 HA TYR 30 HA TYR 30 2.966 -0.202 11.355 245 HB2 TYR 30 HB2 TYR 30 3.814 1.068 8.842 246 HB3 TYR 30 HB1 TYR 30 2.126 1.253 9.167 247 HD1 TYR 30 HD2 TYR 30 5.534 2.056 10.209 248 HD2 TYR 30 HD1 TYR 30 1.413 2.671 11.008 249 HE1 TYR 30 HE2 TYR 30 6.102 3.974 11.643 250 HE2 TYR 30 HE1 TYR 30 1.956 4.585 12.427 251 HH TYR 30 HH TYR 30 5.096 5.968 12.483 252 H LEU 31 HN LEU 31 3.657 -2.244 8.709 253 HA LEU 31 HA LEU 31 0.833 -2.959 8.441 254 HB2 LEU 31 HB2 LEU 31 3.087 -3.142 6.451 255 HB3 LEU 31 HB1 LEU 31 1.591 -4.015 6.254 256 HG LEU 31 HG LEU 31 0.370 -1.846 6.067 257 HD11 LEU 31 HD11 LEU 31 3.067 -0.595 6.211 258 HD12 LEU 31 HD12 LEU 31 1.765 -0.437 7.390 259 HD13 LEU 31 HD13 LEU 31 1.564 0.199 5.753 260 HD21 LEU 31 HD21 LEU 31 1.239 -1.218 3.887 261 HD22 LEU 31 HD22 LEU 31 1.180 -2.974 4.068 262 HD23 LEU 31 HD23 LEU 31 2.717 -2.118 4.230 263 HA PRO 32 HA PRO 32 2.781 -6.669 10.405 264 HB2 PRO 32 HB2 PRO 32 0.199 -6.961 11.748 265 HB3 PRO 32 HB1 PRO 32 1.794 -6.738 12.468 266 HG2 PRO 32 HG2 PRO 32 -0.102 -4.815 12.565 267 HG3 PRO 32 HG1 PRO 32 1.627 -4.437 12.460 268 HD2 PRO 32 HD2 PRO 32 -0.437 -4.464 10.283 269 HD3 PRO 32 HD1 PRO 32 0.831 -3.264 10.619 270 H CYS 33 HN CYS 33 0.393 -6.071 8.287 271 HA CYS 33 HA CYS 33 -0.838 -8.668 8.124 272 HB2 CYS 33 HB2 CYS 33 -1.985 -6.523 7.491 273 HB3 CYS 33 HB1 CYS 33 -0.902 -6.404 6.115 274 HG CYS 33 HG CYS 33 -3.595 -7.242 5.615 275 H LEU 34 HN LEU 34 1.990 -7.112 6.887 276 HA LEU 34 HA LEU 34 2.356 -9.251 4.949 277 HB2 LEU 34 HB2 LEU 34 3.780 -6.639 5.276 278 HB3 LEU 34 HB1 LEU 34 4.333 -7.918 4.219 279 HG LEU 34 HG LEU 34 1.934 -7.761 3.235 280 HD11 LEU 34 HD11 LEU 34 1.011 -6.217 4.816 281 HD12 LEU 34 HD12 LEU 34 1.000 -5.544 3.190 282 HD13 LEU 34 HD13 LEU 34 2.207 -5.001 4.360 283 HD21 LEU 34 HD21 LEU 34 2.749 -6.167 1.585 284 HD22 LEU 34 HD22 LEU 34 3.895 -7.434 2.053 285 HD23 LEU 34 HD23 LEU 34 4.110 -5.788 2.673 286 H THR 35 HN THR 35 3.701 -10.799 5.311 287 HA THR 35 HA THR 35 4.709 -11.423 7.783 288 HB THR 35 HB THR 35 6.057 -12.603 5.491 289 HG1 THR 35 HG1 THR 35 4.442 -12.451 4.271 290 HG21 THR 35 HG21 THR 35 5.085 -14.634 6.436 291 HG22 THR 35 HG22 THR 35 4.099 -13.669 7.534 292 HG23 THR 35 HG23 THR 35 5.856 -13.675 7.697 293 H ALA 36 HN ALA 36 7.044 -11.961 8.229 294 HA ALA 36 HA ALA 36 8.632 -9.687 8.272 295 HB1 ALA 36 HB1 ALA 36 8.855 -11.514 9.886 296 HB2 ALA 36 HB2 ALA 36 10.404 -11.111 9.142 297 HB3 ALA 36 HB3 ALA 36 9.524 -12.543 8.621 298 H ARG 37 HN ARG 37 8.931 -12.557 6.198 299 HA ARG 37 HA ARG 37 11.222 -11.602 4.874 300 HB2 ARG 37 HB2 ARG 37 10.596 -13.994 4.934 301 HB3 ARG 37 HB1 ARG 37 9.239 -13.640 3.871 302 HG2 ARG 37 HG2 ARG 37 11.061 -14.621 2.602 303 HG3 ARG 37 HG1 ARG 37 10.793 -12.950 2.110 304 HD2 ARG 37 HD2 ARG 37 13.176 -13.393 2.286 305 HD3 ARG 37 HD1 ARG 37 12.695 -12.247 3.528 306 HE ARG 37 HE ARG 37 12.654 -14.967 4.407 307 HH11 ARG 37 HH11 ARG 37 14.760 -12.072 4.064 308 HH12 ARG 37 HH12 ARG 37 15.916 -12.649 5.138 309 HH21 ARG 37 HH21 ARG 37 14.278 -15.694 5.913 310 HH22 ARG 37 HH22 ARG 37 15.650 -14.732 6.225 311 H ASP 38 HN ASP 38 7.817 -11.134 4.307 312 HA ASP 38 HA ASP 38 7.942 -10.102 1.676 313 HB2 ASP 38 HB2 ASP 38 6.001 -9.610 3.929 314 HB3 ASP 38 HB1 ASP 38 5.798 -8.844 2.349 315 H GLN 39 HN GLN 39 7.972 -8.536 4.815 316 HA GLN 39 HA GLN 39 8.457 -5.909 3.887 317 HB2 GLN 39 HB2 GLN 39 9.086 -7.198 6.542 318 HB3 GLN 39 HB1 GLN 39 9.205 -5.478 6.228 319 HG2 GLN 39 HG2 GLN 39 6.805 -5.385 5.805 320 HG3 GLN 39 HG1 GLN 39 6.673 -7.119 6.090 321 HE21 GLN 39 HE21 GLN 39 5.293 -6.861 7.810 322 HE22 GLN 39 HE22 GLN 39 5.783 -6.215 9.325 323 H ASP 40 HN ASP 40 10.516 -8.536 4.864 324 HA ASP 40 HA ASP 40 13.023 -7.283 4.921 325 HB2 ASP 40 HB2 ASP 40 12.556 -9.544 5.794 326 HB3 ASP 40 HB1 ASP 40 12.362 -10.103 4.139 327 H ARG 41 HN ARG 41 11.432 -9.065 2.289 328 HA ARG 41 HA ARG 41 13.317 -8.766 0.301 329 HB2 ARG 41 HB2 ARG 41 11.476 -10.264 0.076 330 HB3 ARG 41 HB1 ARG 41 10.318 -8.975 0.289 331 HG2 ARG 41 HG2 ARG 41 10.371 -9.769 -1.954 332 HG3 ARG 41 HG1 ARG 41 10.867 -8.081 -1.890 333 HD2 ARG 41 HD2 ARG 41 13.226 -8.804 -2.085 334 HD3 ARG 41 HD1 ARG 41 12.690 -10.483 -2.199 335 HE ARG 41 HE ARG 41 11.350 -9.609 -4.185 336 HH11 ARG 41 HH11 ARG 41 14.697 -8.677 -3.414 337 HH12 ARG 41 HH12 ARG 41 14.978 -8.008 -4.958 338 HH21 ARG 41 HH21 ARG 41 11.825 -8.736 -6.342 339 HH22 ARG 41 HH22 ARG 41 13.349 -8.078 -6.652 340 H LEU 42 HN LEU 42 10.717 -6.608 1.288 341 HA LEU 42 HA LEU 42 11.148 -4.678 -0.731 342 HB2 LEU 42 HB2 LEU 42 9.792 -4.503 1.953 343 HB3 LEU 42 HB1 LEU 42 9.770 -3.209 0.764 344 HG LEU 42 HG LEU 42 8.713 -5.977 0.201 345 HD11 LEU 42 HD11 LEU 42 6.486 -5.030 0.495 346 HD12 LEU 42 HD12 LEU 42 7.207 -3.514 1.037 347 HD13 LEU 42 HD13 LEU 42 7.410 -4.980 1.996 348 HD21 LEU 42 HD21 LEU 42 9.360 -4.649 -1.755 349 HD22 LEU 42 HD22 LEU 42 8.301 -3.342 -1.204 350 HD23 LEU 42 HD23 LEU 42 7.621 -4.889 -1.664 351 H ARG 43 HN ARG 43 12.126 -4.810 2.667 352 HA ARG 43 HA ARG 43 13.603 -2.455 2.821 353 HB2 ARG 43 HB2 ARG 43 13.080 -3.814 4.772 354 HB3 ARG 43 HB1 ARG 43 14.109 -5.105 4.169 355 HG2 ARG 43 HG2 ARG 43 16.023 -3.523 4.279 356 HG3 ARG 43 HG1 ARG 43 14.961 -2.382 5.106 357 HD2 ARG 43 HD2 ARG 43 16.305 -3.674 6.694 358 HD3 ARG 43 HD1 ARG 43 14.573 -3.995 6.854 359 HE ARG 43 HE ARG 43 14.877 -6.130 6.123 360 HH11 ARG 43 HH11 ARG 43 17.944 -4.406 5.590 361 HH12 ARG 43 HH12 ARG 43 18.875 -5.815 5.466 362 HH21 ARG 43 HH21 ARG 43 16.164 -8.082 5.884 363 HH22 ARG 43 HH22 ARG 43 17.836 -7.952 5.646 364 H ALA 44 HN ALA 44 14.587 -5.666 1.762 365 HA ALA 44 HA ALA 44 17.304 -5.069 1.416 366 HB1 ALA 44 HB1 ALA 44 17.452 -7.192 0.259 367 HB2 ALA 44 HB2 ALA 44 15.694 -7.258 0.121 368 HB3 ALA 44 HB3 ALA 44 16.457 -7.346 1.709 369 H THR 45 HN THR 45 14.563 -4.944 -0.792 370 HA THR 45 HA THR 45 16.161 -4.436 -3.126 371 HB THR 45 HB THR 45 13.202 -3.901 -2.699 372 HG1 THR 45 HG1 THR 45 13.582 -6.053 -2.281 373 HG21 THR 45 HG21 THR 45 13.054 -4.203 -5.142 374 HG22 THR 45 HG22 THR 45 14.802 -4.423 -5.221 375 HG23 THR 45 HG23 THR 45 14.132 -2.869 -4.736 376 H CYS 46 HN CYS 46 14.660 -2.544 -0.651 377 HA CYS 46 HA CYS 46 14.372 -0.084 -1.877 378 HB2 CYS 46 HB2 CYS 46 13.540 -0.979 0.353 379 HB3 CYS 46 HB1 CYS 46 15.078 -0.523 1.002 380 HG CYS 46 HG CYS 46 14.330 1.800 1.653 381 H THR 47 HN THR 47 17.146 -1.362 -0.010 382 HA THR 47 HA THR 47 18.699 0.952 -0.332 383 HB THR 47 HB THR 47 20.490 -0.638 0.466 384 HG1 THR 47 HG1 THR 47 20.037 -2.677 0.453 385 HG21 THR 47 HG21 THR 47 19.185 0.771 1.998 386 HG22 THR 47 HG22 THR 47 19.541 -0.805 2.718 387 HG23 THR 47 HG23 THR 47 17.940 -0.483 2.044 388 H LEU 48 HN LEU 48 18.324 -2.020 -2.073 389 HA LEU 48 HA LEU 48 20.701 -1.805 -3.642 390 HB2 LEU 48 HB2 LEU 48 18.330 -3.562 -3.648 391 HB3 LEU 48 HB1 LEU 48 19.519 -3.737 -4.933 392 HG LEU 48 HG LEU 48 19.899 -4.166 -1.959 393 HD11 LEU 48 HD11 LEU 48 20.287 -6.493 -2.608 394 HD12 LEU 48 HD12 LEU 48 19.944 -6.078 -4.288 395 HD13 LEU 48 HD13 LEU 48 18.675 -5.943 -3.064 396 HD21 LEU 48 HD21 LEU 48 21.905 -4.422 -4.205 397 HD22 LEU 48 HD22 LEU 48 22.158 -4.957 -2.547 398 HD23 LEU 48 HD23 LEU 48 21.959 -3.243 -2.889 399 H SER 49 HN SER 49 17.271 -1.707 -4.622 400 HA SER 49 HA SER 49 18.112 -0.664 -7.205 401 HB2 SER 49 HB2 SER 49 15.407 -1.620 -6.278 402 HB3 SER 49 HB1 SER 49 15.898 -1.301 -7.942 403 HG SER 49 HG SER 49 15.971 -3.545 -7.205 404 H GLY 50 HN GLY 50 17.025 0.541 -4.273 405 HA2 GLY 50 HA2 GLY 50 16.782 2.888 -3.942 406 HA3 GLY 50 HA1 GLY 50 16.135 3.011 -5.579 407 H ASN 51 HN ASN 51 14.948 3.904 -3.032 408 HA ASN 51 HA ASN 51 13.014 2.056 -2.225 409 HB2 ASN 51 HB2 ASN 51 12.001 3.786 -0.989 410 HB3 ASN 51 HB1 ASN 51 13.756 3.947 -0.836 411 HD21 ASN 51 HD21 ASN 51 11.452 5.740 -0.429 412 HD22 ASN 51 HD22 ASN 51 11.817 7.143 -1.365 413 H ARG 52 HN ARG 52 12.956 4.661 -4.405 414 HA ARG 52 HA ARG 52 10.280 4.783 -5.107 415 HB2 ARG 52 HB2 ARG 52 11.909 6.409 -5.926 416 HB3 ARG 52 HB1 ARG 52 12.646 5.180 -6.939 417 HG2 ARG 52 HG2 ARG 52 10.619 5.051 -8.287 418 HG3 ARG 52 HG1 ARG 52 9.860 6.274 -7.264 419 HD2 ARG 52 HD2 ARG 52 11.542 7.898 -7.899 420 HD3 ARG 52 HD1 ARG 52 12.394 6.684 -8.849 421 HE ARG 52 HE ARG 52 9.814 6.787 -9.827 422 HH11 ARG 52 HH11 ARG 52 12.552 9.023 -9.599 423 HH12 ARG 52 HH12 ARG 52 12.127 9.906 -10.988 424 HH21 ARG 52 HH21 ARG 52 9.243 7.972 -11.732 425 HH22 ARG 52 HH22 ARG 52 10.175 9.298 -12.254 426 H ASP 53 HN ASP 53 12.715 2.583 -6.405 427 HA ASP 53 HA ASP 53 10.938 1.316 -8.283 428 HB2 ASP 53 HB2 ASP 53 13.457 1.212 -8.456 429 HB3 ASP 53 HB1 ASP 53 13.454 0.133 -7.069 430 H THR 54 HN THR 54 11.995 0.721 -5.059 431 HA THR 54 HA THR 54 10.820 -1.779 -4.640 432 HB THR 54 HB THR 54 11.566 0.383 -2.660 433 HG1 THR 54 HG1 THR 54 13.413 -0.072 -3.750 434 HG21 THR 54 HG21 THR 54 10.225 -1.494 -1.694 435 HG22 THR 54 HG22 THR 54 11.881 -1.433 -1.085 436 HG23 THR 54 HG23 THR 54 11.435 -2.624 -2.307 437 H LEU 55 HN LEU 55 9.566 1.475 -4.441 438 HA LEU 55 HA LEU 55 7.240 1.065 -3.003 439 HB2 LEU 55 HB2 LEU 55 7.821 2.979 -5.270 440 HB3 LEU 55 HB1 LEU 55 6.357 3.055 -4.303 441 HG LEU 55 HG LEU 55 9.130 3.283 -3.095 442 HD11 LEU 55 HD11 LEU 55 8.875 5.628 -3.017 443 HD12 LEU 55 HD12 LEU 55 7.210 5.549 -3.435 444 HD13 LEU 55 HD13 LEU 55 8.431 5.227 -4.687 445 HD21 LEU 55 HD21 LEU 55 7.298 2.533 -1.646 446 HD22 LEU 55 HD22 LEU 55 6.450 4.029 -2.124 447 HD23 LEU 55 HD23 LEU 55 7.980 4.126 -1.252 448 H TRP 56 HN TRP 56 7.847 0.454 -6.414 449 HA TRP 56 HA TRP 56 5.177 -0.260 -7.078 450 HB2 TRP 56 HB2 TRP 56 6.817 0.248 -8.823 451 HB3 TRP 56 HB1 TRP 56 7.800 -1.122 -8.329 452 HD1 TRP 56 HD1 TRP 56 7.263 -3.423 -9.414 453 HE1 TRP 56 HE1 TRP 56 5.502 -4.276 -11.077 454 HE3 TRP 56 HE3 TRP 56 4.210 0.676 -9.501 455 HZ2 TRP 56 HZ2 TRP 56 3.110 -3.331 -12.263 456 HZ3 TRP 56 HZ3 TRP 56 2.204 0.615 -10.923 457 HH2 TRP 56 HH2 TRP 56 1.670 -1.342 -12.272 458 H HIS 57 HN HIS 57 7.866 -1.969 -5.746 459 HA HIS 57 HA HIS 57 6.698 -4.588 -6.000 460 HB2 HIS 57 HB2 HIS 57 9.225 -3.911 -5.893 461 HB3 HIS 57 HB1 HIS 57 8.980 -3.908 -4.152 462 HD1 HIS 57 HD1 HIS 57 8.653 -6.300 -3.007 463 HD2 HIS 57 HD2 HIS 57 9.273 -6.368 -7.117 464 HE1 HIS 57 HE1 HIS 57 9.199 -8.675 -3.599 465 H LEU 58 HN LEU 58 6.652 -2.009 -3.747 466 HA LEU 58 HA LEU 58 5.841 -3.349 -1.369 467 HB2 LEU 58 HB2 LEU 58 6.823 -1.138 -1.374 468 HB3 LEU 58 HB1 LEU 58 5.531 -0.529 -2.346 469 HG LEU 58 HG LEU 58 3.940 -0.883 -0.455 470 HD11 LEU 58 HD11 LEU 58 4.795 -1.278 1.782 471 HD12 LEU 58 HD12 LEU 58 6.412 -1.530 1.128 472 HD13 LEU 58 HD13 LEU 58 5.106 -2.652 0.721 473 HD21 LEU 58 HD21 LEU 58 4.917 1.304 -0.812 474 HD22 LEU 58 HD22 LEU 58 6.327 0.860 0.143 475 HD23 LEU 58 HD23 LEU 58 4.739 0.986 0.914 476 H PHE 59 HN PHE 59 4.180 -1.574 -3.851 477 HA PHE 59 HA PHE 59 1.557 -2.128 -2.914 478 HB2 PHE 59 HB2 PHE 59 2.574 -1.178 -5.575 479 HB3 PHE 59 HB1 PHE 59 0.870 -1.533 -5.334 480 HD1 PHE 59 HD1 PHE 59 3.638 0.665 -4.323 481 HD2 PHE 59 HD2 PHE 59 -0.531 -0.099 -4.073 482 HE1 PHE 59 HE1 PHE 59 3.292 2.903 -3.369 483 HE2 PHE 59 HE2 PHE 59 -0.889 2.133 -3.121 484 HZ PHE 59 HZ PHE 59 1.024 3.642 -2.770 485 H ASN 60 HN ASN 60 3.683 -3.839 -4.969 486 HA ASN 60 HA ASN 60 1.842 -5.907 -5.728 487 HB2 ASN 60 HB2 ASN 60 3.958 -5.554 -6.968 488 HB3 ASN 60 HB1 ASN 60 4.870 -5.977 -5.526 489 HD21 ASN 60 HD21 ASN 60 5.876 -7.704 -6.451 490 HD22 ASN 60 HD22 ASN 60 5.051 -9.162 -6.876 491 H THR 61 HN THR 61 1.462 -7.815 -4.724 492 HA THR 61 HA THR 61 1.265 -9.387 -3.126 493 HB THR 61 HB THR 61 3.714 -8.121 -1.862 494 HG1 THR 61 HG1 THR 61 4.551 -9.032 -3.513 495 HG21 THR 61 HG21 THR 61 2.448 -9.424 -0.206 496 HG22 THR 61 HG22 THR 61 3.942 -10.260 -0.631 497 HG23 THR 61 HG23 THR 61 2.402 -10.794 -1.310 498 H LEU 62 HN LEU 62 1.545 -6.033 -2.106 499 HA LEU 62 HA LEU 62 0.373 -6.055 0.338 500 HB2 LEU 62 HB2 LEU 62 1.541 -4.275 -0.924 501 HB3 LEU 62 HB1 LEU 62 0.170 -4.181 -1.978 502 HG LEU 62 HG LEU 62 -1.233 -3.639 -0.166 503 HD11 LEU 62 HD11 LEU 62 1.350 -3.394 1.398 504 HD12 LEU 62 HD12 LEU 62 -0.015 -4.461 1.749 505 HD13 LEU 62 HD13 LEU 62 -0.179 -2.719 1.955 506 HD21 LEU 62 HD21 LEU 62 1.037 -1.725 -0.662 507 HD22 LEU 62 HD22 LEU 62 -0.504 -1.269 0.064 508 HD23 LEU 62 HD23 LEU 62 -0.456 -1.884 -1.588 509 H GLN 63 HN GLN 63 -0.925 -5.792 -2.924 510 HA GLN 63 HA GLN 63 -3.656 -5.753 -2.151 511 HB2 GLN 63 HB2 GLN 63 -4.112 -6.068 -4.577 512 HB3 GLN 63 HB1 GLN 63 -3.066 -4.706 -4.206 513 HG2 GLN 63 HG2 GLN 63 -1.140 -5.887 -4.940 514 HG3 GLN 63 HG1 GLN 63 -2.033 -7.393 -5.110 515 HE21 GLN 63 HE21 GLN 63 -0.484 -5.869 -7.094 516 HE22 GLN 63 HE22 GLN 63 -1.604 -5.558 -8.360 517 H ARG 64 HN ARG 64 -1.535 -8.312 -2.062 518 HA ARG 64 HA ARG 64 -3.602 -10.270 -2.711 519 HB2 ARG 64 HB2 ARG 64 -0.654 -10.637 -2.111 520 HB3 ARG 64 HB1 ARG 64 -1.776 -11.975 -2.343 521 HG2 ARG 64 HG2 ARG 64 -2.248 -11.172 -4.601 522 HG3 ARG 64 HG1 ARG 64 -1.112 -9.851 -4.368 523 HD2 ARG 64 HD2 ARG 64 0.713 -11.442 -4.113 524 HD3 ARG 64 HD1 ARG 64 -0.422 -12.786 -4.276 525 HE ARG 64 HE ARG 64 -0.907 -11.833 -6.539 526 HH11 ARG 64 HH11 ARG 64 2.320 -11.509 -5.069 527 HH12 ARG 64 HH12 ARG 64 3.092 -11.231 -6.557 528 HH21 ARG 64 HH21 ARG 64 0.196 -11.506 -8.556 529 HH22 ARG 64 HH22 ARG 64 1.872 -11.230 -8.582 530 H ARG 65 HN ARG 65 -2.683 -8.432 -0.244 531 HA ARG 65 HA ARG 65 -3.297 -10.385 1.828 532 HB2 ARG 65 HB2 ARG 65 -2.488 -7.457 2.047 533 HB3 ARG 65 HB1 ARG 65 -2.633 -8.584 3.386 534 HG2 ARG 65 HG2 ARG 65 -0.613 -8.788 1.145 535 HG3 ARG 65 HG1 ARG 65 -0.291 -8.153 2.756 536 HD2 ARG 65 HD2 ARG 65 -0.687 -10.296 3.752 537 HD3 ARG 65 HD1 ARG 65 -1.272 -10.965 2.225 538 HE ARG 65 HE ARG 65 1.332 -10.057 1.848 539 HH11 ARG 65 HH11 ARG 65 -0.326 -12.544 3.754 540 HH12 ARG 65 HH12 ARG 65 0.962 -13.643 3.724 541 HH21 ARG 65 HH21 ARG 65 3.171 -11.629 1.795 542 HH22 ARG 65 HH22 ARG 65 2.960 -13.120 2.535 543 HA PRO 66 HA PRO 66 -7.477 -9.062 1.275 544 HB2 PRO 66 HB2 PRO 66 -8.633 -10.156 3.444 545 HB3 PRO 66 HB1 PRO 66 -8.022 -11.140 2.108 546 HG2 PRO 66 HG2 PRO 66 -6.707 -10.489 4.724 547 HG3 PRO 66 HG1 PRO 66 -6.849 -12.063 3.922 548 HD2 PRO 66 HD2 PRO 66 -4.597 -10.572 3.784 549 HD3 PRO 66 HD1 PRO 66 -5.134 -11.591 2.431 550 H GLY 67 HN GLY 67 -5.589 -7.854 3.582 551 HA2 GLY 67 HA2 GLY 67 -7.368 -5.627 4.102 552 HA3 GLY 67 HA1 GLY 67 -6.899 -6.560 5.527 553 H TRP 68 HN TRP 68 -5.789 -4.520 2.980 554 HA TRP 68 HA TRP 68 -3.262 -4.204 4.444 555 HB2 TRP 68 HB2 TRP 68 -2.263 -3.492 2.302 556 HB3 TRP 68 HB1 TRP 68 -2.871 -5.137 2.222 557 HD1 TRP 68 HD1 TRP 68 -4.956 -5.585 0.575 558 HE1 TRP 68 HE1 TRP 68 -5.926 -4.236 -1.385 559 HE3 TRP 68 HE3 TRP 68 -2.699 -1.072 1.465 560 HZ2 TRP 68 HZ2 TRP 68 -5.772 -1.618 -2.415 561 HZ3 TRP 68 HZ3 TRP 68 -3.167 0.797 -0.062 562 HH2 TRP 68 HH2 TRP 68 -4.673 0.526 -1.961 563 H VAL 69 HN VAL 69 -6.122 -2.722 3.545 564 HA VAL 69 HA VAL 69 -5.216 -0.174 2.726 565 HB VAL 69 HB VAL 69 -7.962 -0.932 3.753 566 HG11 VAL 69 HG11 VAL 69 -8.737 1.025 2.500 567 HG12 VAL 69 HG12 VAL 69 -7.067 1.426 2.100 568 HG13 VAL 69 HG13 VAL 69 -7.608 1.476 3.779 569 HG21 VAL 69 HG21 VAL 69 -6.884 -0.830 0.939 570 HG22 VAL 69 HG22 VAL 69 -8.560 -1.150 1.387 571 HG23 VAL 69 HG23 VAL 69 -7.291 -2.288 1.841 572 H GLU 70 HN GLU 70 -6.543 -1.292 5.807 573 HA GLU 70 HA GLU 70 -6.520 1.289 6.974 574 HB2 GLU 70 HB2 GLU 70 -6.950 0.110 9.123 575 HB3 GLU 70 HB1 GLU 70 -8.054 -0.311 7.829 576 HG2 GLU 70 HG2 GLU 70 -5.702 -2.045 8.533 577 HG3 GLU 70 HG1 GLU 70 -7.263 -2.193 9.337 578 H TYR 71 HN TYR 71 -4.294 -1.359 6.931 579 HA TYR 71 HA TYR 71 -2.517 -0.306 8.850 580 HB2 TYR 71 HB2 TYR 71 -2.011 -2.256 6.610 581 HB3 TYR 71 HB1 TYR 71 -0.977 -1.963 8.001 582 HD1 TYR 71 HD1 TYR 71 -2.059 -2.389 10.342 583 HD2 TYR 71 HD2 TYR 71 -3.588 -3.935 6.697 584 HE1 TYR 71 HE1 TYR 71 -3.267 -4.128 11.592 585 HE2 TYR 71 HE2 TYR 71 -4.799 -5.676 7.934 586 HH TYR 71 HH TYR 71 -5.348 -5.540 11.160 587 H PHE 72 HN PHE 72 -2.759 -0.168 5.345 588 HA PHE 72 HA PHE 72 -0.336 1.178 4.907 589 HB2 PHE 72 HB2 PHE 72 -1.637 -0.125 3.210 590 HB3 PHE 72 HB1 PHE 72 -2.812 1.178 3.170 591 HD1 PHE 72 HD2 PHE 72 0.853 0.623 2.782 592 HD2 PHE 72 HD1 PHE 72 -2.601 2.754 1.501 593 HE1 PHE 72 HE2 PHE 72 2.182 1.708 1.023 594 HE2 PHE 72 HE1 PHE 72 -1.275 3.841 -0.266 595 HZ PHE 72 HZ PHE 72 1.118 3.314 -0.505 596 H ILE 73 HN ILE 73 -3.683 2.353 5.273 597 HA ILE 73 HA ILE 73 -3.225 5.087 4.872 598 HB ILE 73 HB ILE 73 -5.210 3.774 6.764 599 HG12 ILE 73 HG12 ILE 73 -5.619 4.875 3.976 600 HG13 ILE 73 HG11 ILE 73 -5.408 3.170 4.356 601 HG21 ILE 73 HG21 ILE 73 -6.476 5.884 6.685 602 HG22 ILE 73 HG22 ILE 73 -5.193 6.620 5.729 603 HG23 ILE 73 HG23 ILE 73 -4.876 6.119 7.391 604 HD11 ILE 73 HD11 ILE 73 -7.655 4.925 5.314 605 HD12 ILE 73 HD12 ILE 73 -7.462 3.205 5.661 606 HD13 ILE 73 HD13 ILE 73 -7.742 3.747 4.005 607 H ALA 74 HN ALA 74 -2.959 3.179 7.830 608 HA ALA 74 HA ALA 74 -2.293 5.365 9.509 609 HB1 ALA 74 HB1 ALA 74 -3.238 3.273 10.388 610 HB2 ALA 74 HB2 ALA 74 -1.705 3.670 11.167 611 HB3 ALA 74 HB3 ALA 74 -1.766 2.423 9.920 612 H ALA 75 HN ALA 75 -0.472 3.305 7.414 613 HA ALA 75 HA ALA 75 2.071 3.782 8.507 614 HB1 ALA 75 HB1 ALA 75 1.376 3.112 5.653 615 HB2 ALA 75 HB2 ALA 75 1.567 1.941 6.951 616 HB3 ALA 75 HB3 ALA 75 2.944 2.920 6.437 617 H LEU 76 HN LEU 76 0.457 5.317 5.602 618 HA LEU 76 HA LEU 76 2.392 7.202 5.165 619 HB2 LEU 76 HB2 LEU 76 -0.559 7.199 4.698 620 HB3 LEU 76 HB1 LEU 76 0.450 8.546 4.221 621 HG LEU 76 HG LEU 76 -0.018 7.292 2.386 622 HD11 LEU 76 HD11 LEU 76 2.789 6.602 3.204 623 HD12 LEU 76 HD12 LEU 76 2.247 8.079 2.413 624 HD13 LEU 76 HD13 LEU 76 2.173 6.540 1.555 625 HD21 LEU 76 HD21 LEU 76 0.542 4.913 2.069 626 HD22 LEU 76 HD22 LEU 76 -0.741 5.243 3.219 627 HD23 LEU 76 HD23 LEU 76 0.875 4.818 3.802 628 H ARG 77 HN ARG 77 -0.480 7.388 7.214 629 HA ARG 77 HA ARG 77 -0.033 10.101 7.895 630 HB2 ARG 77 HB2 ARG 77 -2.258 8.949 7.958 631 HB3 ARG 77 HB1 ARG 77 -1.705 8.051 9.344 632 HG2 ARG 77 HG2 ARG 77 -1.773 9.874 10.763 633 HG3 ARG 77 HG1 ARG 77 -1.677 11.030 9.435 634 HD2 ARG 77 HD2 ARG 77 -3.927 10.948 10.474 635 HD3 ARG 77 HD1 ARG 77 -3.940 10.534 8.765 636 HE ARG 77 HE ARG 77 -3.735 8.260 10.478 637 HH11 ARG 77 HH11 ARG 77 -6.074 10.508 8.998 638 HH12 ARG 77 HH12 ARG 77 -7.375 9.423 9.108 639 HH21 ARG 77 HH21 ARG 77 -5.574 6.790 10.627 640 HH22 ARG 77 HH22 ARG 77 -7.093 7.275 10.065 641 H GLY 78 HN GLY 78 0.939 7.068 9.301 642 HA2 GLY 78 HA2 GLY 78 2.005 8.022 11.717 643 HA3 GLY 78 HA1 GLY 78 2.460 6.533 10.899 644 H CYS 79 HN CYS 79 3.450 7.640 8.478 645 HA CYS 79 HA CYS 79 5.955 8.716 9.435 646 HB2 CYS 79 HB2 CYS 79 6.742 8.507 7.092 647 HB3 CYS 79 HB1 CYS 79 6.039 7.009 7.676 648 HG CYS 79 HG CYS 79 3.561 8.441 6.307 649 H GLU 80 HN GLU 80 3.231 10.123 9.173 650 HA GLU 80 HA GLU 80 2.527 12.202 9.321 651 HB2 GLU 80 HB2 GLU 80 5.367 13.069 8.826 652 HB3 GLU 80 HB1 GLU 80 4.067 14.118 9.373 653 HG2 GLU 80 HG2 GLU 80 3.816 12.602 11.364 654 HG3 GLU 80 HG1 GLU 80 5.291 11.798 10.834 655 H LEU 81 HN LEU 81 2.946 10.799 6.680 656 HA LEU 81 HA LEU 81 2.522 13.128 4.981 657 HB2 LEU 81 HB2 LEU 81 2.921 10.217 4.257 658 HB3 LEU 81 HB1 LEU 81 2.664 11.505 3.095 659 HG LEU 81 HG LEU 81 5.021 11.336 4.974 660 HD11 LEU 81 HD11 LEU 81 5.139 9.577 3.369 661 HD12 LEU 81 HD12 LEU 81 6.319 10.818 2.958 662 HD13 LEU 81 HD13 LEU 81 4.816 10.689 2.045 663 HD21 LEU 81 HD21 LEU 81 5.954 13.109 3.558 664 HD22 LEU 81 HD22 LEU 81 4.496 13.623 4.395 665 HD23 LEU 81 HD23 LEU 81 4.427 13.203 2.682 666 H VAL 82 HN VAL 82 0.605 13.707 5.676 667 HA VAL 82 HA VAL 82 -1.490 11.858 6.265 668 HB VAL 82 HB VAL 82 -1.637 14.871 6.108 669 HG11 VAL 82 HG11 VAL 82 -3.837 13.811 6.087 670 HG12 VAL 82 HG12 VAL 82 -3.561 14.642 7.620 671 HG13 VAL 82 HG13 VAL 82 -3.416 12.887 7.531 672 HG21 VAL 82 HG21 VAL 82 -1.025 13.093 8.469 673 HG22 VAL 82 HG22 VAL 82 -1.292 14.831 8.549 674 HG23 VAL 82 HG23 VAL 82 0.099 14.192 7.671 675 H ASP 83 HN ASP 83 -0.830 14.106 3.623 676 HA ASP 83 HA ASP 83 -3.393 13.934 2.470 677 HB2 ASP 83 HB2 ASP 83 -2.519 14.952 0.452 678 HB3 ASP 83 HB1 ASP 83 -1.803 15.734 1.841 679 H LEU 84 HN LEU 84 -0.600 11.931 2.059 680 HA LEU 84 HA LEU 84 -1.699 10.401 -0.074 681 HB2 LEU 84 HB2 LEU 84 0.525 9.815 1.865 682 HB3 LEU 84 HB1 LEU 84 0.090 8.752 0.539 683 HG LEU 84 HG LEU 84 1.032 11.601 0.212 684 HD11 LEU 84 HD11 LEU 84 2.811 10.157 1.062 685 HD12 LEU 84 HD12 LEU 84 3.104 10.587 -0.623 686 HD13 LEU 84 HD13 LEU 84 2.484 8.987 -0.216 687 HD21 LEU 84 HD21 LEU 84 -0.455 10.820 -1.592 688 HD22 LEU 84 HD22 LEU 84 0.574 9.394 -1.777 689 HD23 LEU 84 HD23 LEU 84 1.218 10.987 -2.146 690 H ALA 85 HN ALA 85 -1.757 10.110 3.403 691 HA ALA 85 HA ALA 85 -2.896 7.518 3.546 692 HB1 ALA 85 HB1 ALA 85 -1.847 8.627 5.482 693 HB2 ALA 85 HB2 ALA 85 -3.496 8.124 5.841 694 HB3 ALA 85 HB3 ALA 85 -3.147 9.815 5.493 695 H ASP 86 HN ASP 86 -4.204 10.748 3.410 696 HA ASP 86 HA ASP 86 -6.913 10.119 3.785 697 HB2 ASP 86 HB2 ASP 86 -6.085 12.371 4.108 698 HB3 ASP 86 HB1 ASP 86 -5.662 12.486 2.410 699 H GLU 87 HN GLU 87 -4.986 10.439 0.831 700 HA GLU 87 HA GLU 87 -7.322 10.236 -0.757 701 HB2 GLU 87 HB2 GLU 87 -5.961 10.409 -2.728 702 HB3 GLU 87 HB1 GLU 87 -5.216 11.356 -1.453 703 HG2 GLU 87 HG2 GLU 87 -3.556 9.646 -1.109 704 HG3 GLU 87 HG1 GLU 87 -4.236 8.742 -2.474 705 H VAL 88 HN VAL 88 -5.224 7.887 0.530 706 HA VAL 88 HA VAL 88 -6.404 5.647 -0.874 707 HB VAL 88 HB VAL 88 -5.108 5.658 1.880 708 HG11 VAL 88 HG11 VAL 88 -5.557 3.379 -0.049 709 HG12 VAL 88 HG12 VAL 88 -6.432 3.655 1.456 710 HG13 VAL 88 HG13 VAL 88 -4.712 3.271 1.497 711 HG21 VAL 88 HG21 VAL 88 -3.848 5.108 -0.800 712 HG22 VAL 88 HG22 VAL 88 -3.060 4.931 0.770 713 HG23 VAL 88 HG23 VAL 88 -3.577 6.525 0.214 714 H ALA 89 HN ALA 89 -6.919 7.109 2.300 715 HA ALA 89 HA ALA 89 -8.933 5.451 3.243 716 HB1 ALA 89 HB1 ALA 89 -8.559 8.378 3.843 717 HB2 ALA 89 HB2 ALA 89 -7.715 7.053 4.639 718 HB3 ALA 89 HB3 ALA 89 -9.463 7.224 4.824 719 H SER 90 HN SER 90 -9.200 8.365 1.328 720 HA SER 90 HA SER 90 -11.950 8.793 1.428 721 HB2 SER 90 HB2 SER 90 -10.067 9.387 -0.860 722 HB3 SER 90 HB1 SER 90 -11.654 10.114 -0.618 723 HG SER 90 HG SER 90 -9.406 10.318 1.118 724 H VAL 91 HN VAL 91 -10.182 6.431 -0.430 725 HA VAL 91 HA VAL 91 -12.374 5.973 -2.255 726 HB VAL 91 HB VAL 91 -9.836 4.366 -1.870 727 HG11 VAL 91 HG11 VAL 91 -11.852 4.454 -4.121 728 HG12 VAL 91 HG12 VAL 91 -11.525 3.080 -3.061 729 HG13 VAL 91 HG13 VAL 91 -10.301 3.631 -4.209 730 HG21 VAL 91 HG21 VAL 91 -9.331 6.660 -2.427 731 HG22 VAL 91 HG22 VAL 91 -10.453 6.601 -3.783 732 HG23 VAL 91 HG23 VAL 91 -8.995 5.610 -3.803 733 H TYR 92 HN TYR 92 -10.853 4.366 0.463 734 HA TYR 92 HA TYR 92 -12.638 2.129 0.363 735 HB2 TYR 92 HB2 TYR 92 -10.213 2.141 1.180 736 HB3 TYR 92 HB1 TYR 92 -10.813 2.890 2.651 737 HD1 TYR 92 HD2 TYR 92 -11.111 -0.130 0.535 738 HD2 TYR 92 HD1 TYR 92 -11.690 1.592 4.340 739 HE1 TYR 92 HE2 TYR 92 -11.604 -2.377 1.445 740 HE2 TYR 92 HE1 TYR 92 -12.202 -0.644 5.285 741 HH TYR 92 HH TYR 92 -11.791 -3.566 3.403 742 H GLN 93 HN GLN 93 -12.943 5.208 1.422 743 HA GLN 93 HA GLN 93 -14.911 4.848 3.494 744 HB2 GLN 93 HB2 GLN 93 -14.150 7.173 1.746 745 HB3 GLN 93 HB1 GLN 93 -15.572 7.255 2.769 746 HG2 GLN 93 HG2 GLN 93 -12.798 6.693 3.792 747 HG3 GLN 93 HG1 GLN 93 -13.529 8.295 3.734 748 HE21 GLN 93 HE21 GLN 93 -13.604 5.166 5.308 749 HE22 GLN 93 HE22 GLN 93 -14.630 5.667 6.587 750 H SER 94 HN SER 94 -14.899 4.811 0.053 751 HA SER 94 HA SER 94 -17.810 4.923 -0.077 752 HB2 SER 94 HB2 SER 94 -16.312 6.259 -1.670 753 HB3 SER 94 HB1 SER 94 -15.830 4.723 -2.370 754 HG SER 94 HG SER 94 -17.648 6.013 -3.311 755 H TYR 95 HN TYR 95 -15.038 2.842 -0.830 756 HA TYR 95 HA TYR 95 -16.821 0.553 -1.280 757 HB2 TYR 95 HB2 TYR 95 -13.833 0.858 -1.706 758 HB3 TYR 95 HB1 TYR 95 -14.787 -0.576 -2.054 759 HD1 TYR 95 HD2 TYR 95 -16.338 -0.649 -3.968 760 HD2 TYR 95 HD1 TYR 95 -13.904 2.776 -3.199 761 HE1 TYR 95 HE2 TYR 95 -16.779 0.169 -6.225 762 HE2 TYR 95 HE1 TYR 95 -14.345 3.593 -5.473 763 HH TYR 95 HH TYR 95 -16.789 2.357 -7.399 764 H GLN 96 HN GLN 96 -17.537 -0.203 0.456 765 HA GLN 96 HA GLN 96 -17.778 -1.020 2.435 766 HB2 GLN 96 HB2 GLN 96 -15.062 -2.171 1.929 767 HB3 GLN 96 HB1 GLN 96 -15.968 -2.521 3.389 768 HG2 GLN 96 HG2 GLN 96 -17.826 -3.332 1.943 769 HG3 GLN 96 HG1 GLN 96 -16.755 -3.150 0.559 770 HE21 GLN 96 HE21 GLN 96 -16.823 -5.359 0.146 771 HE22 GLN 96 HE22 GLN 96 -15.949 -6.501 1.122 772 HA PRO 97 HA PRO 97 -15.956 2.070 5.160 773 HB2 PRO 97 HB2 PRO 97 -18.292 3.050 6.062 774 HB3 PRO 97 HB1 PRO 97 -17.658 3.583 4.497 775 HG2 PRO 97 HG2 PRO 97 -19.686 1.460 5.077 776 HG3 PRO 97 HG1 PRO 97 -19.844 2.777 3.931 777 HD2 PRO 97 HD2 PRO 97 -19.116 0.314 3.166 778 HD3 PRO 97 HD1 PRO 97 -18.404 1.735 2.381 779 H ARG 98 HN ARG 98 -17.991 -0.548 5.077 780 HA ARG 98 HA ARG 98 -17.955 -1.033 7.951 781 HB2 ARG 98 HB2 ARG 98 -19.759 -2.141 5.805 782 HB3 ARG 98 HB1 ARG 98 -19.847 -2.550 7.507 783 HG2 ARG 98 HG2 ARG 98 -20.498 -0.281 8.067 784 HG3 ARG 98 HG1 ARG 98 -20.285 0.220 6.389 785 HD2 ARG 98 HD2 ARG 98 -22.068 -1.274 5.698 786 HD3 ARG 98 HD1 ARG 98 -22.271 -1.834 7.355 787 HE ARG 98 HE ARG 98 -22.810 0.535 7.881 788 HH11 ARG 98 HH11 ARG 98 -23.456 -0.761 4.624 789 HH12 ARG 98 HH12 ARG 98 -24.776 0.267 4.339 790 HH21 ARG 98 HH21 ARG 98 -24.694 1.951 7.430 791 HH22 ARG 98 HH22 ARG 98 -25.489 1.787 5.931 792 H THR 99 HN THR 99 -15.859 -1.885 7.856 793 HA THR 99 HA THR 99 -15.350 -4.110 6.115 794 HB THR 99 HB THR 99 -13.595 -2.984 8.322 795 HG1 THR 99 HG1 THR 99 -13.299 -2.434 5.556 796 HG21 THR 99 HG21 THR 99 -12.932 -4.632 5.859 797 HG22 THR 99 HG22 THR 99 -12.961 -5.238 7.511 798 HG23 THR 99 HG23 THR 99 -11.767 -4.025 7.041 799 H SER 100 HN SER 100 -16.889 -5.502 6.827 800 HA SER 100 HA SER 100 -17.075 -6.361 9.532 801 HB2 SER 100 HB2 SER 100 -18.228 -7.536 6.992 802 HB3 SER 100 HB1 SER 100 -18.763 -7.870 8.644 803 HG SER 100 HG SER 100 -19.670 -5.982 7.090 Start of MODEL 4 1 H1 GLY -1 HT1 GLY -1 -13.379 -8.017 5.091 2 H2 GLY -1 HT2 GLY -1 -12.524 -8.262 3.647 3 H3 GLY -1 HT3 GLY -1 -11.946 -8.904 5.084 4 HA2 GLY -1 HA1 GLY -1 -13.814 -10.386 5.230 5 HA3 GLY -1 HA2 GLY -1 -14.448 -9.687 3.745 6 H SER 0 HN SER 0 -14.295 -12.106 3.283 7 HA SER 0 HA SER 0 -11.665 -13.155 2.645 8 HB2 SER 0 HB2 SER 0 -14.430 -14.263 2.324 9 HB3 SER 0 HB1 SER 0 -12.932 -15.192 2.231 10 HG SER 0 HG SER 0 -12.769 -15.190 4.317 11 H MET 1 HN MET 1 -12.971 -10.873 1.065 12 HA MET 1 HA MET 1 -12.831 -11.988 -1.543 13 HB2 MET 1 HB2 MET 1 -15.172 -10.543 -0.425 14 HB3 MET 1 HB1 MET 1 -14.864 -10.703 -2.166 15 HG2 MET 1 HG2 MET 1 -14.959 -13.174 -1.784 16 HG3 MET 1 HG1 MET 1 -15.516 -12.839 -0.152 17 HE1 MET 1 HE1 MET 1 -17.693 -14.345 -0.647 18 HE2 MET 1 HE2 MET 1 -17.166 -14.616 -2.310 19 HE3 MET 1 HE3 MET 1 -18.804 -14.045 -1.981 20 HA PRO 2 HA PRO 2 -10.786 -7.932 -0.985 21 HB2 PRO 2 HB2 PRO 2 -8.935 -8.455 -2.986 22 HB3 PRO 2 HB1 PRO 2 -8.752 -8.837 -1.255 23 HG2 PRO 2 HG2 PRO 2 -9.618 -10.646 -3.472 24 HG3 PRO 2 HG1 PRO 2 -8.480 -10.959 -2.144 25 HD2 PRO 2 HD2 PRO 2 -11.052 -11.821 -2.018 26 HD3 PRO 2 HD1 PRO 2 -10.237 -11.255 -0.583 27 H PHE 3 HN PHE 3 -12.262 -6.710 -1.706 28 HA PHE 3 HA PHE 3 -12.883 -6.613 -4.587 29 HB2 PHE 3 HB2 PHE 3 -14.680 -7.759 -3.312 30 HB3 PHE 3 HB1 PHE 3 -14.831 -6.347 -2.281 31 HD1 PHE 3 HD1 PHE 3 -15.431 -7.714 -5.624 32 HD2 PHE 3 HD2 PHE 3 -16.028 -4.401 -3.021 33 HE1 PHE 3 HE1 PHE 3 -17.127 -6.818 -7.157 34 HE2 PHE 3 HE2 PHE 3 -17.718 -3.498 -4.551 35 HZ PHE 3 HZ PHE 3 -18.274 -4.708 -6.626 36 H ALA 4 HN ALA 4 -13.246 -4.960 -1.499 37 HA ALA 4 HA ALA 4 -13.379 -2.370 -2.728 38 HB1 ALA 4 HB1 ALA 4 -13.510 -1.569 -0.430 39 HB2 ALA 4 HB2 ALA 4 -13.086 -3.176 0.165 40 HB3 ALA 4 HB3 ALA 4 -14.613 -2.915 -0.681 41 H GLU 5 HN GLU 5 -11.081 -4.409 -1.158 42 HA GLU 5 HA GLU 5 -8.946 -2.569 -0.949 43 HB2 GLU 5 HB2 GLU 5 -8.653 -5.558 -1.277 44 HB3 GLU 5 HB1 GLU 5 -7.607 -4.456 -0.397 45 HG2 GLU 5 HG2 GLU 5 -8.679 -5.439 1.363 46 HG3 GLU 5 HG1 GLU 5 -9.794 -4.113 1.059 47 H ASP 6 HN ASP 6 -10.207 -4.645 -3.404 48 HA ASP 6 HA ASP 6 -8.029 -4.460 -5.252 49 HB2 ASP 6 HB2 ASP 6 -9.586 -6.322 -5.434 50 HB3 ASP 6 HB1 ASP 6 -10.934 -5.212 -5.644 51 H LYS 7 HN LYS 7 -11.164 -2.890 -4.879 52 HA LYS 7 HA LYS 7 -11.124 -1.117 -7.020 53 HB2 LYS 7 HB2 LYS 7 -12.177 -0.569 -4.239 54 HB3 LYS 7 HB1 LYS 7 -12.564 0.363 -5.667 55 HG2 LYS 7 HG2 LYS 7 -13.309 -2.507 -5.159 56 HG3 LYS 7 HG1 LYS 7 -14.378 -1.109 -5.055 57 HD2 LYS 7 HD2 LYS 7 -13.955 -0.674 -7.441 58 HD3 LYS 7 HD1 LYS 7 -12.986 -2.150 -7.512 59 HE2 LYS 7 HE2 LYS 7 -14.961 -3.435 -6.781 60 HE3 LYS 7 HE1 LYS 7 -15.907 -1.950 -6.815 61 HZ1 LYS 7 HZ1 LYS 7 -16.239 -3.145 -8.846 62 HZ2 LYS 7 HZ2 LYS 7 -14.591 -3.296 -9.085 63 HZ3 LYS 7 HZ3 LYS 7 -15.300 -1.781 -9.223 64 H THR 8 HN THR 8 -9.930 -0.674 -3.734 65 HA THR 8 HA THR 8 -8.906 1.880 -4.022 66 HB THR 8 HB THR 8 -7.907 -0.322 -2.193 67 HG1 THR 8 HG1 THR 8 -10.097 -0.012 -1.772 68 HG21 THR 8 HG21 THR 8 -6.382 1.619 -2.298 69 HG22 THR 8 HG22 THR 8 -7.195 1.544 -0.738 70 HG23 THR 8 HG23 THR 8 -7.732 2.702 -1.956 71 H TYR 9 HN TYR 9 -7.229 -1.275 -4.423 72 HA TYR 9 HA TYR 9 -4.694 -0.233 -4.988 73 HB2 TYR 9 HB2 TYR 9 -4.994 -2.627 -4.509 74 HB3 TYR 9 HB1 TYR 9 -5.925 -2.819 -5.991 75 HD1 TYR 9 HD2 TYR 9 -2.550 -2.062 -4.674 76 HD2 TYR 9 HD1 TYR 9 -4.836 -3.135 -8.104 77 HE1 TYR 9 HE2 TYR 9 -0.492 -2.462 -5.929 78 HE2 TYR 9 HE1 TYR 9 -2.772 -3.520 -9.363 79 HH TYR 9 HH TYR 9 -0.392 -2.702 -9.236 80 H LYS 10 HN LYS 10 -7.316 -1.144 -7.191 81 HA LYS 10 HA LYS 10 -5.805 -0.454 -9.444 82 HB2 LYS 10 HB2 LYS 10 -7.155 -2.237 -9.814 83 HB3 LYS 10 HB1 LYS 10 -8.438 -1.628 -8.807 84 HG2 LYS 10 HG2 LYS 10 -9.384 -0.496 -10.453 85 HG3 LYS 10 HG1 LYS 10 -7.917 -0.341 -11.437 86 HD2 LYS 10 HD2 LYS 10 -9.651 -1.990 -12.339 87 HD3 LYS 10 HD1 LYS 10 -8.036 -2.638 -12.128 88 HE2 LYS 10 HE2 LYS 10 -9.619 -4.276 -11.347 89 HE3 LYS 10 HE1 LYS 10 -8.774 -3.626 -9.955 90 HZ1 LYS 10 HZ1 LYS 10 -10.776 -2.152 -9.633 91 HZ2 LYS 10 HZ2 LYS 10 -10.945 -3.785 -9.363 92 HZ3 LYS 10 HZ3 LYS 10 -11.575 -3.117 -10.787 93 H TYR 11 HN TYR 11 -7.610 1.383 -7.301 94 HA TYR 11 HA TYR 11 -8.238 3.574 -9.110 95 HB2 TYR 11 HB2 TYR 11 -9.407 2.986 -6.814 96 HB3 TYR 11 HB1 TYR 11 -7.988 3.702 -6.115 97 HD1 TYR 11 HD2 TYR 11 -7.527 6.121 -6.342 98 HD2 TYR 11 HD1 TYR 11 -11.121 4.380 -7.806 99 HE1 TYR 11 HE2 TYR 11 -8.558 8.348 -6.442 100 HE2 TYR 11 HE1 TYR 11 -12.166 6.600 -7.906 101 HH TYR 11 HH TYR 11 -10.354 9.465 -7.596 102 H ILE 12 HN ILE 12 -6.004 2.893 -6.455 103 HA ILE 12 HA ILE 12 -4.469 5.280 -6.748 104 HB ILE 12 HB ILE 12 -3.835 2.717 -5.230 105 HG12 ILE 12 HG12 ILE 12 -5.958 3.739 -4.514 106 HG13 ILE 12 HG11 ILE 12 -4.737 3.837 -3.244 107 HG21 ILE 12 HG21 ILE 12 -1.823 4.048 -5.548 108 HG22 ILE 12 HG22 ILE 12 -2.327 4.097 -3.858 109 HG23 ILE 12 HG23 ILE 12 -2.642 5.473 -4.910 110 HD11 ILE 12 HD11 ILE 12 -4.372 6.202 -3.856 111 HD12 ILE 12 HD12 ILE 12 -6.032 5.874 -3.361 112 HD13 ILE 12 HD13 ILE 12 -5.646 6.062 -5.070 113 H CYS 13 HN CYS 13 -4.368 2.205 -8.253 114 HA CYS 13 HA CYS 13 -1.751 2.051 -9.162 115 HB2 CYS 13 HB2 CYS 13 -3.466 0.297 -9.484 116 HB3 CYS 13 HB1 CYS 13 -4.279 1.311 -10.661 117 HG CYS 13 HG CYS 13 -3.155 -0.260 -12.399 118 H ARG 14 HN ARG 14 -4.377 4.080 -10.225 119 HA ARG 14 HA ARG 14 -3.289 5.046 -12.679 120 HB2 ARG 14 HB2 ARG 14 -5.112 6.512 -10.762 121 HB3 ARG 14 HB1 ARG 14 -4.878 6.876 -12.458 122 HG2 ARG 14 HG2 ARG 14 -6.003 4.812 -13.074 123 HG3 ARG 14 HG1 ARG 14 -6.160 4.376 -11.368 124 HD2 ARG 14 HD2 ARG 14 -7.466 6.432 -10.981 125 HD3 ARG 14 HD1 ARG 14 -7.356 6.801 -12.699 126 HE ARG 14 HE ARG 14 -8.453 4.343 -12.655 127 HH11 ARG 14 HH11 ARG 14 -9.343 7.451 -11.191 128 HH12 ARG 14 HH12 ARG 14 -11.005 7.085 -11.067 129 HH21 ARG 14 HH21 ARG 14 -10.762 3.856 -12.495 130 HH22 ARG 14 HH22 ARG 14 -11.827 5.023 -11.873 131 H ASN 15 HN ASN 15 -3.378 6.309 -9.391 132 HA ASN 15 HA ASN 15 -1.579 8.489 -10.097 133 HB2 ASN 15 HB2 ASN 15 -2.296 9.556 -7.997 134 HB3 ASN 15 HB1 ASN 15 -3.688 9.030 -8.946 135 HD21 ASN 15 HD21 ASN 15 -5.020 7.444 -8.199 136 HD22 ASN 15 HD22 ASN 15 -4.910 6.882 -6.571 137 H PHE 16 HN PHE 16 -0.950 5.601 -9.545 138 HA PHE 16 HA PHE 16 0.669 5.330 -7.290 139 HB2 PHE 16 HB2 PHE 16 0.105 3.384 -8.623 140 HB3 PHE 16 HB1 PHE 16 0.934 4.048 -10.023 141 HD1 PHE 16 HD2 PHE 16 1.547 2.866 -6.540 142 HD2 PHE 16 HD1 PHE 16 3.145 3.479 -10.437 143 HE1 PHE 16 HE2 PHE 16 3.617 1.710 -5.880 144 HE2 PHE 16 HE1 PHE 16 5.211 2.329 -9.774 145 HZ PHE 16 HZ PHE 16 5.449 1.445 -7.492 146 H SER 17 HN SER 17 1.257 6.877 -10.333 147 HA SER 17 HA SER 17 3.986 7.262 -10.315 148 HB2 SER 17 HB2 SER 17 1.880 9.204 -11.225 149 HB3 SER 17 HB1 SER 17 3.480 8.919 -11.933 150 HG SER 17 HG SER 17 2.024 7.841 -13.181 151 H ASN 18 HN ASN 18 1.359 9.012 -8.703 152 HA ASN 18 HA ASN 18 2.827 11.225 -7.713 153 HB2 ASN 18 HB2 ASN 18 0.292 9.919 -6.689 154 HB3 ASN 18 HB1 ASN 18 0.905 11.446 -6.096 155 HD21 ASN 18 HD21 ASN 18 -0.949 12.469 -6.655 156 HD22 ASN 18 HD22 ASN 18 -1.398 12.855 -8.264 157 H PHE 19 HN PHE 19 1.972 8.066 -6.463 158 HA PHE 19 HA PHE 19 3.188 8.513 -3.931 159 HB2 PHE 19 HB2 PHE 19 1.922 6.105 -5.194 160 HB3 PHE 19 HB1 PHE 19 2.839 5.967 -3.703 161 HD1 PHE 19 HD2 PHE 19 -0.138 7.502 -5.256 162 HD2 PHE 19 HD1 PHE 19 1.963 6.710 -1.643 163 HE1 PHE 19 HE2 PHE 19 -2.110 8.188 -3.953 164 HE2 PHE 19 HE1 PHE 19 -0.002 7.393 -0.341 165 HZ PHE 19 HZ PHE 19 -2.042 8.134 -1.495 166 H CYS 20 HN CYS 20 4.603 7.984 -6.869 167 HA CYS 20 HA CYS 20 6.605 6.152 -6.031 168 HB2 CYS 20 HB2 CYS 20 6.465 8.078 -8.331 169 HB3 CYS 20 HB1 CYS 20 7.786 6.940 -8.099 170 HG CYS 20 HG CYS 20 4.596 5.814 -8.255 171 H ASN 21 HN ASN 21 6.031 9.292 -5.158 172 HA ASN 21 HA ASN 21 8.839 10.008 -4.809 173 HB2 ASN 21 HB2 ASN 21 6.288 11.574 -4.419 174 HB3 ASN 21 HB1 ASN 21 7.896 12.205 -4.107 175 HD21 ASN 21 HD21 ASN 21 9.015 10.870 -6.516 176 HD22 ASN 21 HD22 ASN 21 8.431 11.781 -7.850 177 H VAL 22 HN VAL 22 7.017 7.997 -3.204 178 HA VAL 22 HA VAL 22 7.175 9.356 -0.613 179 HB VAL 22 HB VAL 22 5.012 8.303 -1.651 180 HG11 VAL 22 HG11 VAL 22 6.113 5.861 -0.403 181 HG12 VAL 22 HG12 VAL 22 5.716 6.140 -2.105 182 HG13 VAL 22 HG13 VAL 22 4.434 6.118 -0.887 183 HG21 VAL 22 HG21 VAL 22 5.044 9.387 0.502 184 HG22 VAL 22 HG22 VAL 22 5.670 7.916 1.254 185 HG23 VAL 22 HG23 VAL 22 4.055 7.932 0.560 186 H ASP 23 HN ASP 23 7.453 7.680 1.262 187 HA ASP 23 HA ASP 23 10.031 6.400 0.946 188 HB2 ASP 23 HB2 ASP 23 9.239 7.905 2.971 189 HB3 ASP 23 HB1 ASP 23 8.339 6.485 3.446 190 H VAL 24 HN VAL 24 10.013 4.264 2.527 191 HA VAL 24 HA VAL 24 7.724 2.548 1.978 192 HB VAL 24 HB VAL 24 10.519 1.669 1.112 193 HG11 VAL 24 HG11 VAL 24 7.873 0.258 0.967 194 HG12 VAL 24 HG12 VAL 24 9.230 -0.171 2.027 195 HG13 VAL 24 HG13 VAL 24 9.380 -0.308 0.266 196 HG21 VAL 24 HG21 VAL 24 8.081 2.191 -0.568 197 HG22 VAL 24 HG22 VAL 24 9.601 1.514 -1.145 198 HG23 VAL 24 HG23 VAL 24 9.546 3.171 -0.538 199 H VAL 25 HN VAL 25 10.910 2.977 3.414 200 HA VAL 25 HA VAL 25 10.621 0.745 5.157 201 HB VAL 25 HB VAL 25 12.631 1.622 6.331 202 HG11 VAL 25 HG11 VAL 25 12.845 -0.005 4.520 203 HG12 VAL 25 HG12 VAL 25 14.185 1.137 4.431 204 HG13 VAL 25 HG13 VAL 25 12.819 1.287 3.325 205 HG21 VAL 25 HG21 VAL 25 12.387 3.998 5.876 206 HG22 VAL 25 HG22 VAL 25 12.607 3.713 4.149 207 HG23 VAL 25 HG23 VAL 25 13.939 3.425 5.271 208 H GLU 26 HN GLU 26 9.807 4.071 5.340 209 HA GLU 26 HA GLU 26 9.028 3.874 8.099 210 HB2 GLU 26 HB2 GLU 26 9.078 5.928 5.996 211 HB3 GLU 26 HB1 GLU 26 7.987 6.152 7.345 212 HG2 GLU 26 HG2 GLU 26 10.986 5.797 7.419 213 HG3 GLU 26 HG1 GLU 26 10.098 7.276 7.795 214 H ILE 27 HN ILE 27 7.907 2.321 5.878 215 HA ILE 27 HA ILE 27 5.035 2.586 6.572 216 HB ILE 27 HB ILE 27 6.276 1.915 3.881 217 HG12 ILE 27 HG12 ILE 27 4.337 4.103 4.656 218 HG13 ILE 27 HG11 ILE 27 6.056 4.312 4.352 219 HG21 ILE 27 HG21 ILE 27 4.474 0.348 4.220 220 HG22 ILE 27 HG22 ILE 27 4.031 1.530 2.988 221 HG23 ILE 27 HG23 ILE 27 3.361 1.660 4.611 222 HD11 ILE 27 HD11 ILE 27 4.002 3.430 2.331 223 HD12 ILE 27 HD12 ILE 27 5.728 3.660 2.035 224 HD13 ILE 27 HD13 ILE 27 4.719 5.038 2.457 225 H LEU 28 HN LEU 28 7.624 0.415 5.530 226 HA LEU 28 HA LEU 28 6.409 -2.004 5.636 227 HB2 LEU 28 HB2 LEU 28 9.232 -1.443 6.558 228 HB3 LEU 28 HB1 LEU 28 8.594 -3.022 6.154 229 HG LEU 28 HG LEU 28 8.855 -0.709 4.248 230 HD11 LEU 28 HD11 LEU 28 11.022 -1.564 4.945 231 HD12 LEU 28 HD12 LEU 28 10.672 -2.005 3.275 232 HD13 LEU 28 HD13 LEU 28 10.506 -3.204 4.557 233 HD21 LEU 28 HD21 LEU 28 7.031 -2.202 3.669 234 HD22 LEU 28 HD22 LEU 28 8.113 -3.589 3.827 235 HD23 LEU 28 HD23 LEU 28 8.382 -2.400 2.552 236 HA PRO 29 HA PRO 29 7.030 -2.901 10.296 237 HB2 PRO 29 HB2 PRO 29 7.655 -0.431 11.703 238 HB3 PRO 29 HB1 PRO 29 8.534 -1.960 11.709 239 HG2 PRO 29 HG2 PRO 29 9.501 0.278 10.537 240 HG3 PRO 29 HG1 PRO 29 9.868 -1.352 9.946 241 HD2 PRO 29 HD2 PRO 29 7.922 0.654 8.893 242 HD3 PRO 29 HD1 PRO 29 9.020 -0.412 8.033 243 H TYR 30 HN TYR 30 5.305 -0.445 8.926 244 HA TYR 30 HA TYR 30 3.538 0.037 11.178 245 HB2 TYR 30 HB2 TYR 30 3.812 1.178 8.412 246 HB3 TYR 30 HB1 TYR 30 2.522 1.679 9.456 247 HD1 TYR 30 HD1 TYR 30 6.215 1.522 9.191 248 HD2 TYR 30 HD2 TYR 30 2.908 3.520 10.921 249 HE1 TYR 30 HE1 TYR 30 7.726 3.295 9.995 250 HE2 TYR 30 HE2 TYR 30 4.402 5.300 11.731 251 HH TYR 30 HH TYR 30 7.585 5.703 10.635 252 H LEU 31 HN LEU 31 3.906 -2.061 8.526 253 HA LEU 31 HA LEU 31 1.048 -2.665 8.437 254 HB2 LEU 31 HB2 LEU 31 3.240 -3.069 6.430 255 HB3 LEU 31 HB1 LEU 31 1.771 -4.006 6.354 256 HG LEU 31 HG LEU 31 0.476 -1.917 6.030 257 HD11 LEU 31 HD11 LEU 31 1.595 0.135 5.490 258 HD12 LEU 31 HD12 LEU 31 3.137 -0.581 5.971 259 HD13 LEU 31 HD13 LEU 31 1.858 -0.351 7.167 260 HD21 LEU 31 HD21 LEU 31 1.241 -1.465 3.769 261 HD22 LEU 31 HD22 LEU 31 1.249 -3.198 4.117 262 HD23 LEU 31 HD23 LEU 31 2.761 -2.282 4.137 263 HA PRO 32 HA PRO 32 2.616 -6.422 10.492 264 HB2 PRO 32 HB2 PRO 32 0.630 -6.710 12.256 265 HB3 PRO 32 HB1 PRO 32 1.899 -5.503 12.501 266 HG2 PRO 32 HG2 PRO 32 -0.901 -5.137 11.537 267 HG3 PRO 32 HG1 PRO 32 0.059 -4.101 12.604 268 HD2 PRO 32 HD2 PRO 32 -0.329 -3.697 9.871 269 HD3 PRO 32 HD1 PRO 32 0.961 -2.963 10.845 270 H CYS 33 HN CYS 33 0.355 -5.793 8.285 271 HA CYS 33 HA CYS 33 -1.211 -8.197 8.540 272 HB2 CYS 33 HB2 CYS 33 -2.228 -7.344 6.375 273 HB3 CYS 33 HB1 CYS 33 -2.467 -6.351 7.812 274 HG CYS 33 HG CYS 33 -1.913 -4.964 5.275 275 H LEU 34 HN LEU 34 1.723 -7.329 7.104 276 HA LEU 34 HA LEU 34 1.559 -9.596 5.264 277 HB2 LEU 34 HB2 LEU 34 3.519 -7.315 5.303 278 HB3 LEU 34 HB1 LEU 34 3.630 -8.706 4.244 279 HG LEU 34 HG LEU 34 1.176 -7.925 3.648 280 HD11 LEU 34 HD11 LEU 34 2.537 -5.361 4.386 281 HD12 LEU 34 HD12 LEU 34 1.094 -6.053 5.122 282 HD13 LEU 34 HD13 LEU 34 1.050 -5.503 3.448 283 HD21 LEU 34 HD21 LEU 34 2.933 -8.340 2.124 284 HD22 LEU 34 HD22 LEU 34 3.685 -6.773 2.472 285 HD23 LEU 34 HD23 LEU 34 2.096 -6.855 1.678 286 H THR 35 HN THR 35 3.619 -10.857 5.069 287 HA THR 35 HA THR 35 4.405 -11.711 7.623 288 HB THR 35 HB THR 35 5.978 -13.108 5.994 289 HG1 THR 35 HG1 THR 35 5.526 -12.952 3.988 290 HG21 THR 35 HG21 THR 35 2.967 -13.414 6.037 291 HG22 THR 35 HG22 THR 35 4.068 -14.028 7.269 292 HG23 THR 35 HG23 THR 35 4.123 -14.681 5.631 293 H ALA 36 HN ALA 36 6.527 -11.711 8.446 294 HA ALA 36 HA ALA 36 7.809 -9.244 8.387 295 HB1 ALA 36 HB1 ALA 36 9.513 -10.263 9.787 296 HB2 ALA 36 HB2 ALA 36 8.931 -11.870 9.358 297 HB3 ALA 36 HB3 ALA 36 7.906 -10.779 10.291 298 H ARG 37 HN ARG 37 8.669 -12.267 6.777 299 HA ARG 37 HA ARG 37 11.130 -11.299 5.766 300 HB2 ARG 37 HB2 ARG 37 10.652 -13.703 6.062 301 HB3 ARG 37 HB1 ARG 37 9.467 -13.627 4.772 302 HG2 ARG 37 HG2 ARG 37 11.544 -14.602 3.976 303 HG3 ARG 37 HG1 ARG 37 11.247 -13.058 3.178 304 HD2 ARG 37 HD2 ARG 37 13.605 -13.318 3.869 305 HD3 ARG 37 HD1 ARG 37 12.832 -11.950 4.665 306 HE ARG 37 HE ARG 37 12.678 -14.366 6.181 307 HH11 ARG 37 HH11 ARG 37 14.798 -11.568 5.516 308 HH12 ARG 37 HH12 ARG 37 15.638 -11.733 6.972 309 HH21 ARG 37 HH21 ARG 37 13.829 -14.541 8.133 310 HH22 ARG 37 HH22 ARG 37 15.090 -13.475 8.531 311 H ASP 38 HN ASP 38 7.872 -11.178 4.626 312 HA ASP 38 HA ASP 38 8.377 -10.542 1.891 313 HB2 ASP 38 HB2 ASP 38 6.142 -11.276 3.157 314 HB3 ASP 38 HB1 ASP 38 5.975 -9.547 3.376 315 H GLN 39 HN GLN 39 7.743 -8.694 4.806 316 HA GLN 39 HA GLN 39 8.036 -6.114 3.657 317 HB2 GLN 39 HB2 GLN 39 8.271 -7.029 6.516 318 HB3 GLN 39 HB1 GLN 39 8.256 -5.346 6.011 319 HG2 GLN 39 HG2 GLN 39 6.027 -7.332 5.604 320 HG3 GLN 39 HG1 GLN 39 6.106 -6.033 6.799 321 HE21 GLN 39 HE21 GLN 39 5.689 -6.780 3.418 322 HE22 GLN 39 HE22 GLN 39 5.097 -5.219 2.985 323 H ASP 40 HN ASP 40 10.182 -8.331 5.293 324 HA ASP 40 HA ASP 40 12.502 -6.772 5.559 325 HB2 ASP 40 HB2 ASP 40 12.239 -8.972 6.617 326 HB3 ASP 40 HB1 ASP 40 12.291 -9.723 5.032 327 H ARG 41 HN ARG 41 11.403 -8.817 2.956 328 HA ARG 41 HA ARG 41 13.590 -8.532 1.242 329 HB2 ARG 41 HB2 ARG 41 11.830 -10.203 0.894 330 HB3 ARG 41 HB1 ARG 41 10.681 -8.919 0.529 331 HG2 ARG 41 HG2 ARG 41 12.017 -8.255 -1.365 332 HG3 ARG 41 HG1 ARG 41 13.167 -9.541 -1.018 333 HD2 ARG 41 HD2 ARG 41 11.390 -11.191 -1.368 334 HD3 ARG 41 HD1 ARG 41 10.272 -9.877 -1.756 335 HE ARG 41 HE ARG 41 12.714 -9.959 -3.274 336 HH11 ARG 41 HH11 ARG 41 9.304 -10.847 -3.160 337 HH12 ARG 41 HH12 ARG 41 9.142 -11.044 -4.841 338 HH21 ARG 41 HH21 ARG 41 12.525 -10.201 -5.574 339 HH22 ARG 41 HH22 ARG 41 11.038 -10.643 -6.268 340 H LEU 42 HN LEU 42 10.735 -6.555 1.678 341 HA LEU 42 HA LEU 42 11.296 -4.748 -0.401 342 HB2 LEU 42 HB2 LEU 42 9.650 -4.443 2.111 343 HB3 LEU 42 HB1 LEU 42 9.692 -3.257 0.822 344 HG LEU 42 HG LEU 42 8.793 -6.111 0.389 345 HD11 LEU 42 HD11 LEU 42 6.519 -5.249 0.407 346 HD12 LEU 42 HD12 LEU 42 7.117 -3.652 0.856 347 HD13 LEU 42 HD13 LEU 42 7.284 -5.002 1.974 348 HD21 LEU 42 HD21 LEU 42 9.571 -4.881 -1.596 349 HD22 LEU 42 HD22 LEU 42 8.379 -3.616 -1.243 350 HD23 LEU 42 HD23 LEU 42 7.847 -5.234 -1.638 351 H ARG 43 HN ARG 43 12.115 -4.746 3.040 352 HA ARG 43 HA ARG 43 13.466 -2.289 3.128 353 HB2 ARG 43 HB2 ARG 43 13.002 -3.563 5.180 354 HB3 ARG 43 HB1 ARG 43 14.106 -4.828 4.661 355 HG2 ARG 43 HG2 ARG 43 15.975 -3.251 4.784 356 HG3 ARG 43 HG1 ARG 43 14.869 -1.984 5.307 357 HD2 ARG 43 HD2 ARG 43 16.077 -2.937 7.191 358 HD3 ARG 43 HD1 ARG 43 14.353 -3.267 7.319 359 HE ARG 43 HE ARG 43 14.996 -5.525 6.331 360 HH11 ARG 43 HH11 ARG 43 17.175 -3.704 8.450 361 HH12 ARG 43 HH12 ARG 43 17.910 -5.077 9.113 362 HH21 ARG 43 HH21 ARG 43 15.964 -7.414 7.264 363 HH22 ARG 43 HH22 ARG 43 17.222 -7.245 8.415 364 H ALA 44 HN ALA 44 14.627 -5.505 2.297 365 HA ALA 44 HA ALA 44 17.295 -4.892 1.777 366 HB1 ALA 44 HB1 ALA 44 15.584 -6.994 0.445 367 HB2 ALA 44 HB2 ALA 44 16.464 -7.197 1.960 368 HB3 ALA 44 HB3 ALA 44 17.346 -6.948 0.453 369 H THR 45 HN THR 45 14.554 -5.054 -0.456 370 HA THR 45 HA THR 45 15.932 -4.400 -2.802 371 HB THR 45 HB THR 45 13.027 -3.772 -2.168 372 HG1 THR 45 HG1 THR 45 13.430 -5.938 -1.758 373 HG21 THR 45 HG21 THR 45 13.854 -2.772 -4.280 374 HG22 THR 45 HG22 THR 45 12.684 -4.057 -4.585 375 HG23 THR 45 HG23 THR 45 14.407 -4.363 -4.806 376 H CYS 46 HN CYS 46 14.620 -2.331 -0.301 377 HA CYS 46 HA CYS 46 14.762 0.126 -1.670 378 HB2 CYS 46 HB2 CYS 46 13.434 -0.249 0.322 379 HB3 CYS 46 HB1 CYS 46 14.846 -0.497 1.282 380 HG CYS 46 HG CYS 46 13.319 2.346 0.828 381 H THR 47 HN THR 47 16.905 -1.452 0.561 382 HA THR 47 HA THR 47 18.892 0.594 0.222 383 HB THR 47 HB THR 47 18.727 -0.577 2.421 384 HG1 THR 47 HG1 THR 47 20.914 0.058 1.129 385 HG21 THR 47 HG21 THR 47 19.902 -2.942 0.951 386 HG22 THR 47 HG22 THR 47 18.279 -2.859 1.638 387 HG23 THR 47 HG23 THR 47 19.691 -2.824 2.698 388 H LEU 48 HN LEU 48 18.145 -2.314 -1.395 389 HA LEU 48 HA LEU 48 20.704 -2.583 -2.674 390 HB2 LEU 48 HB2 LEU 48 18.034 -3.808 -3.367 391 HB3 LEU 48 HB1 LEU 48 19.528 -4.201 -4.173 392 HG LEU 48 HG LEU 48 18.863 -4.760 -1.286 393 HD11 LEU 48 HD11 LEU 48 19.142 -6.591 -3.655 394 HD12 LEU 48 HD12 LEU 48 17.642 -6.177 -2.821 395 HD13 LEU 48 HD13 LEU 48 18.891 -7.101 -1.986 396 HD21 LEU 48 HD21 LEU 48 21.239 -4.325 -1.547 397 HD22 LEU 48 HD22 LEU 48 21.314 -5.464 -2.892 398 HD23 LEU 48 HD23 LEU 48 20.955 -6.042 -1.266 399 H SER 49 HN SER 49 17.511 -1.941 -4.108 400 HA SER 49 HA SER 49 18.907 -0.837 -6.429 401 HB2 SER 49 HB2 SER 49 16.995 -2.626 -6.506 402 HB3 SER 49 HB1 SER 49 15.946 -1.256 -6.223 403 HG SER 49 HG SER 49 16.191 -0.619 -8.222 404 H GLY 50 HN GLY 50 16.280 0.044 -4.168 405 HA2 GLY 50 HA2 GLY 50 16.851 2.607 -3.729 406 HA3 GLY 50 HA1 GLY 50 16.071 2.647 -5.311 407 H ASN 51 HN ASN 51 14.879 3.932 -3.331 408 HA ASN 51 HA ASN 51 13.087 2.285 -1.819 409 HB2 ASN 51 HB2 ASN 51 13.923 4.626 -1.130 410 HB3 ASN 51 HB1 ASN 51 12.766 5.221 -2.310 411 HD21 ASN 51 HD21 ASN 51 10.653 5.367 -1.704 412 HD22 ASN 51 HD22 ASN 51 10.235 4.828 -0.140 413 H ARG 52 HN ARG 52 12.830 4.350 -4.615 414 HA ARG 52 HA ARG 52 10.028 4.063 -4.992 415 HB2 ARG 52 HB2 ARG 52 11.367 5.837 -6.117 416 HB3 ARG 52 HB1 ARG 52 12.109 4.599 -7.122 417 HG2 ARG 52 HG2 ARG 52 9.885 4.049 -8.035 418 HG3 ARG 52 HG1 ARG 52 9.206 5.378 -7.094 419 HD2 ARG 52 HD2 ARG 52 10.746 6.926 -8.274 420 HD3 ARG 52 HD1 ARG 52 11.281 5.566 -9.267 421 HE ARG 52 HE ARG 52 8.506 5.711 -9.377 422 HH11 ARG 52 HH11 ARG 52 11.320 7.429 -10.632 423 HH12 ARG 52 HH12 ARG 52 10.486 8.235 -11.867 424 HH21 ARG 52 HH21 ARG 52 7.331 6.816 -11.066 425 HH22 ARG 52 HH22 ARG 52 8.145 7.861 -12.125 426 H ASP 53 HN ASP 53 12.793 2.186 -6.137 427 HA ASP 53 HA ASP 53 11.589 0.397 -7.865 428 HB2 ASP 53 HB2 ASP 53 13.836 -0.081 -5.875 429 HB3 ASP 53 HB1 ASP 53 13.432 -1.046 -7.274 430 H THR 54 HN THR 54 11.840 0.563 -4.430 431 HA THR 54 HA THR 54 10.824 -2.023 -3.898 432 HB THR 54 HB THR 54 11.161 0.361 -2.071 433 HG1 THR 54 HG1 THR 54 13.151 -0.203 -3.017 434 HG21 THR 54 HG21 THR 54 11.114 -2.594 -1.487 435 HG22 THR 54 HG22 THR 54 9.762 -1.516 -1.198 436 HG23 THR 54 HG23 THR 54 11.298 -1.288 -0.317 437 H LEU 55 HN LEU 55 9.477 1.227 -4.157 438 HA LEU 55 HA LEU 55 6.983 0.849 -3.056 439 HB2 LEU 55 HB2 LEU 55 7.842 2.568 -5.381 440 HB3 LEU 55 HB1 LEU 55 6.194 2.577 -4.793 441 HG LEU 55 HG LEU 55 8.561 3.257 -3.025 442 HD11 LEU 55 HD11 LEU 55 8.249 4.929 -4.923 443 HD12 LEU 55 HD12 LEU 55 7.903 5.575 -3.310 444 HD13 LEU 55 HD13 LEU 55 6.591 5.116 -4.344 445 HD21 LEU 55 HD21 LEU 55 6.891 4.142 -1.610 446 HD22 LEU 55 HD22 LEU 55 6.450 2.456 -1.986 447 HD23 LEU 55 HD23 LEU 55 5.668 3.819 -2.823 448 H TRP 56 HN TRP 56 8.069 0.032 -6.345 449 HA TRP 56 HA TRP 56 5.656 -0.827 -7.408 450 HB2 TRP 56 HB2 TRP 56 8.487 -1.753 -7.890 451 HB3 TRP 56 HB1 TRP 56 7.112 -2.324 -8.810 452 HD1 TRP 56 HD1 TRP 56 9.408 0.696 -8.425 453 HE1 TRP 56 HE1 TRP 56 8.982 2.296 -10.417 454 HE3 TRP 56 HE3 TRP 56 5.286 -1.538 -10.373 455 HZ2 TRP 56 HZ2 TRP 56 7.121 2.568 -12.515 456 HZ3 TRP 56 HZ3 TRP 56 4.220 -0.556 -12.379 457 HH2 TRP 56 HH2 TRP 56 5.127 1.459 -13.420 458 H HIS 57 HN HIS 57 8.111 -2.596 -5.627 459 HA HIS 57 HA HIS 57 6.788 -5.112 -5.712 460 HB2 HIS 57 HB2 HIS 57 9.033 -4.127 -3.935 461 HB3 HIS 57 HB1 HIS 57 8.489 -5.795 -4.013 462 HD1 HIS 57 HD1 HIS 57 10.500 -3.228 -5.969 463 HD2 HIS 57 HD2 HIS 57 9.315 -7.214 -6.265 464 HE1 HIS 57 HE1 HIS 57 11.925 -4.237 -7.725 465 H LEU 58 HN LEU 58 6.863 -2.470 -3.443 466 HA LEU 58 HA LEU 58 5.601 -3.607 -1.217 467 HB2 LEU 58 HB2 LEU 58 6.708 -1.459 -1.182 468 HB3 LEU 58 HB1 LEU 58 5.575 -0.809 -2.320 469 HG LEU 58 HG LEU 58 3.779 -1.135 -0.547 470 HD11 LEU 58 HD11 LEU 58 6.166 -1.579 1.229 471 HD12 LEU 58 HD12 LEU 58 4.914 -2.759 0.841 472 HD13 LEU 58 HD13 LEU 58 4.510 -1.323 1.774 473 HD21 LEU 58 HD21 LEU 58 4.696 1.052 -1.023 474 HD22 LEU 58 HD22 LEU 58 6.056 0.747 0.057 475 HD23 LEU 58 HD23 LEU 58 4.424 0.880 0.712 476 H PHE 59 HN PHE 59 4.184 -1.600 -3.760 477 HA PHE 59 HA PHE 59 1.522 -2.125 -3.011 478 HB2 PHE 59 HB2 PHE 59 2.744 -1.070 -5.542 479 HB3 PHE 59 HB1 PHE 59 1.013 -1.345 -5.446 480 HD1 PHE 59 HD2 PHE 59 3.806 0.512 -3.811 481 HD2 PHE 59 HD1 PHE 59 -0.384 0.256 -4.503 482 HE1 PHE 59 HE2 PHE 59 3.503 2.729 -2.782 483 HE2 PHE 59 HE1 PHE 59 -0.690 2.471 -3.473 484 HZ PHE 59 HZ PHE 59 1.254 3.708 -2.614 485 H ASN 60 HN ASN 60 3.721 -3.912 -4.961 486 HA ASN 60 HA ASN 60 1.861 -5.618 -6.266 487 HB2 ASN 60 HB2 ASN 60 4.206 -5.334 -7.040 488 HB3 ASN 60 HB1 ASN 60 4.766 -6.141 -5.584 489 HD21 ASN 60 HD21 ASN 60 3.217 -6.531 -8.652 490 HD22 ASN 60 HD22 ASN 60 3.335 -8.245 -8.741 491 H THR 61 HN THR 61 3.718 -5.961 -3.247 492 HA THR 61 HA THR 61 2.671 -8.534 -2.671 493 HB THR 61 HB THR 61 3.580 -7.993 -0.314 494 HG1 THR 61 HG1 THR 61 4.952 -5.923 -1.645 495 HG21 THR 61 HG21 THR 61 4.796 -9.324 -2.029 496 HG22 THR 61 HG22 THR 61 5.832 -8.433 -0.937 497 HG23 THR 61 HG23 THR 61 5.571 -7.831 -2.587 498 H LEU 62 HN LEU 62 1.894 -5.263 -1.610 499 HA LEU 62 HA LEU 62 0.016 -5.790 0.309 500 HB2 LEU 62 HB2 LEU 62 0.583 -3.497 -1.455 501 HB3 LEU 62 HB1 LEU 62 -0.979 -3.510 -0.667 502 HG LEU 62 HG LEU 62 0.062 -3.537 1.514 503 HD11 LEU 62 HD11 LEU 62 2.710 -3.572 0.097 504 HD12 LEU 62 HD12 LEU 62 2.012 -4.875 1.061 505 HD13 LEU 62 HD13 LEU 62 2.462 -3.357 1.831 506 HD21 LEU 62 HD21 LEU 62 1.140 -1.348 1.477 507 HD22 LEU 62 HD22 LEU 62 -0.306 -1.384 0.467 508 HD23 LEU 62 HD23 LEU 62 1.292 -1.457 -0.276 509 H GLN 63 HN GLN 63 -0.631 -5.503 -3.189 510 HA GLN 63 HA GLN 63 -3.452 -5.684 -2.826 511 HB2 GLN 63 HB2 GLN 63 -3.655 -6.094 -5.206 512 HB3 GLN 63 HB1 GLN 63 -2.559 -4.762 -4.881 513 HG2 GLN 63 HG2 GLN 63 -0.711 -5.936 -5.580 514 HG3 GLN 63 HG1 GLN 63 -1.462 -7.501 -5.265 515 HE21 GLN 63 HE21 GLN 63 -0.183 -6.377 -7.667 516 HE22 GLN 63 HE22 GLN 63 -1.358 -6.560 -8.917 517 H ARG 64 HN ARG 64 -1.152 -8.052 -2.445 518 HA ARG 64 HA ARG 64 -2.945 -10.212 -3.259 519 HB2 ARG 64 HB2 ARG 64 -0.106 -10.315 -2.221 520 HB3 ARG 64 HB1 ARG 64 -1.036 -11.693 -2.789 521 HG2 ARG 64 HG2 ARG 64 -0.193 -9.333 -4.456 522 HG3 ARG 64 HG1 ARG 64 0.553 -10.930 -4.471 523 HD2 ARG 64 HD2 ARG 64 -1.558 -11.906 -5.245 524 HD3 ARG 64 HD1 ARG 64 -2.308 -10.313 -5.212 525 HE ARG 64 HE ARG 64 -0.000 -10.252 -6.779 526 HH11 ARG 64 HH11 ARG 64 -3.269 -11.623 -6.861 527 HH12 ARG 64 HH12 ARG 64 -3.461 -11.463 -8.541 528 HH21 ARG 64 HH21 ARG 64 -0.256 -10.058 -9.131 529 HH22 ARG 64 HH22 ARG 64 -1.695 -10.562 -9.872 530 H ARG 65 HN ARG 65 -2.596 -8.267 -0.722 531 HA ARG 65 HA ARG 65 -3.104 -10.336 1.300 532 HB2 ARG 65 HB2 ARG 65 -2.382 -7.425 1.676 533 HB3 ARG 65 HB1 ARG 65 -2.482 -8.648 2.928 534 HG2 ARG 65 HG2 ARG 65 -0.487 -8.609 0.677 535 HG3 ARG 65 HG1 ARG 65 -0.181 -8.056 2.317 536 HD2 ARG 65 HD2 ARG 65 -0.609 -10.336 3.146 537 HD3 ARG 65 HD1 ARG 65 -0.907 -10.877 1.491 538 HE ARG 65 HE ARG 65 1.597 -9.679 1.546 539 HH11 ARG 65 HH11 ARG 65 0.076 -12.588 2.893 540 HH12 ARG 65 HH12 ARG 65 1.524 -13.445 3.039 541 HH21 ARG 65 HH21 ARG 65 3.589 -10.849 1.762 542 HH22 ARG 65 HH22 ARG 65 3.566 -12.432 2.394 543 HA PRO 66 HA PRO 66 -7.285 -8.636 0.844 544 HB2 PRO 66 HB2 PRO 66 -7.934 -10.492 3.041 545 HB3 PRO 66 HB1 PRO 66 -8.607 -10.428 1.413 546 HG2 PRO 66 HG2 PRO 66 -6.961 -12.412 2.177 547 HG3 PRO 66 HG1 PRO 66 -6.955 -11.766 0.527 548 HD2 PRO 66 HD2 PRO 66 -5.068 -11.220 2.786 549 HD3 PRO 66 HD1 PRO 66 -4.729 -11.490 1.056 550 H GLY 67 HN GLY 67 -7.163 -6.671 1.674 551 HA2 GLY 67 HA2 GLY 67 -7.833 -5.123 3.342 552 HA3 GLY 67 HA1 GLY 67 -7.543 -6.377 4.547 553 H TRP 68 HN TRP 68 -5.814 -4.462 2.157 554 HA TRP 68 HA TRP 68 -3.475 -4.471 3.925 555 HB2 TRP 68 HB2 TRP 68 -2.208 -3.744 1.917 556 HB3 TRP 68 HB1 TRP 68 -2.984 -5.300 1.692 557 HD1 TRP 68 HD1 TRP 68 -4.981 -5.422 -0.135 558 HE1 TRP 68 HE1 TRP 68 -5.635 -3.861 -2.087 559 HE3 TRP 68 HE3 TRP 68 -2.306 -1.249 1.173 560 HZ2 TRP 68 HZ2 TRP 68 -5.099 -1.251 -2.950 561 HZ3 TRP 68 HZ3 TRP 68 -2.442 0.734 -0.290 562 HH2 TRP 68 HH2 TRP 68 -3.808 0.725 -2.299 563 H VAL 69 HN VAL 69 -5.999 -2.538 2.773 564 HA VAL 69 HA VAL 69 -4.612 -0.093 2.375 565 HB VAL 69 HB VAL 69 -7.561 -0.441 2.873 566 HG11 VAL 69 HG11 VAL 69 -6.808 1.850 2.983 567 HG12 VAL 69 HG12 VAL 69 -7.772 1.592 1.530 568 HG13 VAL 69 HG13 VAL 69 -6.013 1.690 1.415 569 HG21 VAL 69 HG21 VAL 69 -6.897 -1.949 1.080 570 HG22 VAL 69 HG22 VAL 69 -6.069 -0.630 0.253 571 HG23 VAL 69 HG23 VAL 69 -7.822 -0.596 0.432 572 H GLU 70 HN GLU 70 -6.620 -1.409 4.951 573 HA GLU 70 HA GLU 70 -6.919 0.810 6.518 574 HB2 GLU 70 HB2 GLU 70 -6.549 -1.965 7.613 575 HB3 GLU 70 HB1 GLU 70 -7.519 -0.643 8.232 576 HG2 GLU 70 HG2 GLU 70 -9.138 -2.004 7.362 577 HG3 GLU 70 HG1 GLU 70 -8.839 -0.922 6.009 578 H TYR 71 HN TYR 71 -4.291 -1.547 6.474 579 HA TYR 71 HA TYR 71 -2.947 -0.420 8.732 580 HB2 TYR 71 HB2 TYR 71 -2.080 -2.467 6.692 581 HB3 TYR 71 HB1 TYR 71 -1.282 -2.109 8.218 582 HD1 TYR 71 HD1 TYR 71 -2.224 -2.884 10.330 583 HD2 TYR 71 HD2 TYR 71 -4.168 -3.729 6.642 584 HE1 TYR 71 HE1 TYR 71 -3.615 -4.573 11.452 585 HE2 TYR 71 HE2 TYR 71 -5.564 -5.416 7.757 586 HH TYR 71 HH TYR 71 -5.578 -6.771 9.678 587 H PHE 72 HN PHE 72 -2.821 -0.219 5.261 588 HA PHE 72 HA PHE 72 -0.339 1.070 5.042 589 HB2 PHE 72 HB2 PHE 72 -1.539 -0.052 3.172 590 HB3 PHE 72 HB1 PHE 72 -2.755 1.213 3.213 591 HD1 PHE 72 HD1 PHE 72 0.936 0.812 2.876 592 HD2 PHE 72 HD2 PHE 72 -2.559 2.923 1.685 593 HE1 PHE 72 HE1 PHE 72 2.262 2.062 1.221 594 HE2 PHE 72 HE2 PHE 72 -1.238 4.182 0.031 595 HZ PHE 72 HZ PHE 72 1.170 3.751 -0.204 596 H ILE 73 HN ILE 73 -3.603 2.208 5.653 597 HA ILE 73 HA ILE 73 -3.226 4.986 5.412 598 HB ILE 73 HB ILE 73 -4.961 3.590 7.483 599 HG12 ILE 73 HG12 ILE 73 -5.589 2.746 5.310 600 HG13 ILE 73 HG11 ILE 73 -6.822 3.873 5.855 601 HG21 ILE 73 HG21 ILE 73 -6.337 5.614 7.442 602 HG22 ILE 73 HG22 ILE 73 -5.186 6.357 6.332 603 HG23 ILE 73 HG23 ILE 73 -4.684 5.944 7.972 604 HD11 ILE 73 HD11 ILE 73 -4.661 4.425 3.841 605 HD12 ILE 73 HD12 ILE 73 -5.859 5.592 4.400 606 HD13 ILE 73 HD13 ILE 73 -6.373 4.157 3.510 607 H ALA 74 HN ALA 74 -2.705 2.813 8.125 608 HA ALA 74 HA ALA 74 -1.911 4.846 9.959 609 HB1 ALA 74 HB1 ALA 74 -1.539 1.858 10.144 610 HB2 ALA 74 HB2 ALA 74 -2.959 2.750 10.691 611 HB3 ALA 74 HB3 ALA 74 -1.398 3.013 11.469 612 H ALA 75 HN ALA 75 -0.350 3.307 7.433 613 HA ALA 75 HA ALA 75 2.317 3.432 8.481 614 HB1 ALA 75 HB1 ALA 75 1.374 3.178 5.631 615 HB2 ALA 75 HB2 ALA 75 1.723 1.840 6.721 616 HB3 ALA 75 HB3 ALA 75 3.019 2.926 6.213 617 H LEU 76 HN LEU 76 0.637 5.327 5.868 618 HA LEU 76 HA LEU 76 2.584 7.268 5.697 619 HB2 LEU 76 HB2 LEU 76 -0.363 7.336 5.131 620 HB3 LEU 76 HB1 LEU 76 0.716 8.648 4.737 621 HG LEU 76 HG LEU 76 0.264 7.527 2.816 622 HD11 LEU 76 HD11 LEU 76 2.976 6.579 3.683 623 HD12 LEU 76 HD12 LEU 76 2.573 8.127 2.940 624 HD13 LEU 76 HD13 LEU 76 2.408 6.633 2.015 625 HD21 LEU 76 HD21 LEU 76 0.925 4.910 4.106 626 HD22 LEU 76 HD22 LEU 76 0.594 5.144 2.387 627 HD23 LEU 76 HD23 LEU 76 -0.656 5.493 3.578 628 H ARG 77 HN ARG 77 -0.372 7.125 7.631 629 HA ARG 77 HA ARG 77 -0.107 9.742 8.686 630 HB2 ARG 77 HB2 ARG 77 -2.232 8.488 8.659 631 HB3 ARG 77 HB1 ARG 77 -1.572 7.372 9.840 632 HG2 ARG 77 HG2 ARG 77 -1.403 9.168 11.475 633 HG3 ARG 77 HG1 ARG 77 -2.039 10.311 10.287 634 HD2 ARG 77 HD2 ARG 77 -3.789 9.576 11.801 635 HD3 ARG 77 HD1 ARG 77 -4.098 9.035 10.156 636 HE ARG 77 HE ARG 77 -2.689 7.109 11.708 637 HH11 ARG 77 HH11 ARG 77 -5.899 8.206 10.764 638 HH12 ARG 77 HH12 ARG 77 -6.743 6.879 11.406 639 HH21 ARG 77 HH21 ARG 77 -3.810 5.238 12.590 640 HH22 ARG 77 HH22 ARG 77 -5.503 5.126 12.474 641 H GLY 78 HN GLY 78 1.036 6.598 9.716 642 HA2 GLY 78 HA2 GLY 78 1.778 7.278 12.316 643 HA3 GLY 78 HA1 GLY 78 2.389 5.914 11.387 644 H CYS 79 HN CYS 79 3.653 7.282 9.303 645 HA CYS 79 HA CYS 79 5.977 8.099 10.709 646 HB2 CYS 79 HB2 CYS 79 6.928 8.513 8.383 647 HB3 CYS 79 HB1 CYS 79 6.400 6.871 8.723 648 HG CYS 79 HG CYS 79 4.401 6.755 7.088 649 H GLU 80 HN GLU 80 4.467 9.985 8.082 650 HA GLU 80 HA GLU 80 3.924 12.240 9.757 651 HB2 GLU 80 HB2 GLU 80 5.611 13.800 8.929 652 HB3 GLU 80 HB1 GLU 80 6.358 12.442 9.758 653 HG2 GLU 80 HG2 GLU 80 6.868 11.414 7.639 654 HG3 GLU 80 HG1 GLU 80 6.130 12.763 6.778 655 H LEU 81 HN LEU 81 2.922 10.583 7.391 656 HA LEU 81 HA LEU 81 2.558 12.740 5.435 657 HB2 LEU 81 HB2 LEU 81 2.591 9.752 5.004 658 HB3 LEU 81 HB1 LEU 81 2.457 10.991 3.766 659 HG LEU 81 HG LEU 81 4.881 10.669 5.541 660 HD11 LEU 81 HD11 LEU 81 4.467 9.649 2.740 661 HD12 LEU 81 HD12 LEU 81 4.619 8.673 4.202 662 HD13 LEU 81 HD13 LEU 81 5.981 9.634 3.638 663 HD21 LEU 81 HD21 LEU 81 4.607 12.899 4.581 664 HD22 LEU 81 HD22 LEU 81 4.470 12.183 2.969 665 HD23 LEU 81 HD23 LEU 81 5.978 12.054 3.862 666 H VAL 82 HN VAL 82 0.830 13.108 7.169 667 HA VAL 82 HA VAL 82 -1.355 11.339 7.495 668 HB VAL 82 HB VAL 82 -1.290 14.341 7.909 669 HG11 VAL 82 HG11 VAL 82 -3.091 13.983 9.523 670 HG12 VAL 82 HG12 VAL 82 -3.108 12.267 9.118 671 HG13 VAL 82 HG13 VAL 82 -3.558 13.465 7.902 672 HG21 VAL 82 HG21 VAL 82 -0.637 12.131 9.858 673 HG22 VAL 82 HG22 VAL 82 -0.754 13.845 10.258 674 HG23 VAL 82 HG23 VAL 82 0.504 13.282 9.163 675 H ASP 83 HN ASP 83 -0.585 13.820 5.207 676 HA ASP 83 HA ASP 83 -3.139 14.244 4.085 677 HB2 ASP 83 HB2 ASP 83 -1.909 15.300 2.223 678 HB3 ASP 83 HB1 ASP 83 -1.318 15.854 3.782 679 H LEU 84 HN LEU 84 -0.483 12.090 3.251 680 HA LEU 84 HA LEU 84 -1.756 10.990 0.972 681 HB2 LEU 84 HB2 LEU 84 0.537 9.983 2.642 682 HB3 LEU 84 HB1 LEU 84 -0.010 9.191 1.179 683 HG LEU 84 HG LEU 84 1.010 12.035 1.261 684 HD11 LEU 84 HD11 LEU 84 2.770 10.442 1.846 685 HD12 LEU 84 HD12 LEU 84 3.029 11.132 0.248 686 HD13 LEU 84 HD13 LEU 84 2.387 9.499 0.408 687 HD21 LEU 84 HD21 LEU 84 0.486 10.143 -1.013 688 HD22 LEU 84 HD22 LEU 84 1.156 11.767 -1.152 689 HD23 LEU 84 HD23 LEU 84 -0.507 11.541 -0.597 690 H ALA 85 HN ALA 85 -1.598 10.085 4.343 691 HA ALA 85 HA ALA 85 -2.916 7.588 4.161 692 HB1 ALA 85 HB1 ALA 85 -1.792 8.358 6.232 693 HB2 ALA 85 HB2 ALA 85 -3.455 7.898 6.546 694 HB3 ALA 85 HB3 ALA 85 -3.023 9.600 6.427 695 H ASP 86 HN ASP 86 -4.031 10.847 4.556 696 HA ASP 86 HA ASP 86 -6.769 10.428 4.907 697 HB2 ASP 86 HB2 ASP 86 -5.646 12.523 5.430 698 HB3 ASP 86 HB1 ASP 86 -5.304 12.778 3.733 699 H GLU 87 HN GLU 87 -4.879 10.863 1.948 700 HA GLU 87 HA GLU 87 -7.236 11.053 0.359 701 HB2 GLU 87 HB2 GLU 87 -5.815 11.133 -1.595 702 HB3 GLU 87 HB1 GLU 87 -5.161 12.133 -0.305 703 HG2 GLU 87 HG2 GLU 87 -3.518 10.431 0.192 704 HG3 GLU 87 HG1 GLU 87 -4.155 9.439 -1.121 705 H VAL 88 HN VAL 88 -5.078 8.441 1.162 706 HA VAL 88 HA VAL 88 -6.370 6.608 -0.612 707 HB VAL 88 HB VAL 88 -4.754 5.928 1.876 708 HG11 VAL 88 HG11 VAL 88 -5.411 4.255 -0.549 709 HG12 VAL 88 HG12 VAL 88 -6.092 4.054 1.064 710 HG13 VAL 88 HG13 VAL 88 -4.373 3.765 0.790 711 HG21 VAL 88 HG21 VAL 88 -3.835 6.196 -0.984 712 HG22 VAL 88 HG22 VAL 88 -2.846 5.645 0.368 713 HG23 VAL 88 HG23 VAL 88 -3.453 7.300 0.335 714 H ALA 89 HN ALA 89 -6.764 7.493 2.769 715 HA ALA 89 HA ALA 89 -8.654 5.554 3.496 716 HB1 ALA 89 HB1 ALA 89 -8.345 8.334 4.623 717 HB2 ALA 89 HB2 ALA 89 -7.422 6.919 5.123 718 HB3 ALA 89 HB3 ALA 89 -9.163 6.975 5.397 719 H SER 90 HN SER 90 -9.052 8.695 1.933 720 HA SER 90 HA SER 90 -11.868 8.643 2.195 721 HB2 SER 90 HB2 SER 90 -11.691 10.546 0.458 722 HB3 SER 90 HB1 SER 90 -10.987 10.807 2.054 723 HG SER 90 HG SER 90 -9.075 10.825 1.233 724 H VAL 91 HN VAL 91 -9.667 7.357 -0.147 725 HA VAL 91 HA VAL 91 -11.666 6.842 -2.141 726 HB VAL 91 HB VAL 91 -8.971 5.492 -1.690 727 HG11 VAL 91 HG11 VAL 91 -9.168 4.671 -3.992 728 HG12 VAL 91 HG12 VAL 91 -10.792 5.353 -4.099 729 HG13 VAL 91 HG13 VAL 91 -10.458 4.042 -2.968 730 HG21 VAL 91 HG21 VAL 91 -9.789 7.658 -3.621 731 HG22 VAL 91 HG22 VAL 91 -8.219 6.865 -3.587 732 HG23 VAL 91 HG23 VAL 91 -8.737 7.854 -2.217 733 H TYR 92 HN TYR 92 -10.141 5.027 0.444 734 HA TYR 92 HA TYR 92 -11.581 2.612 0.085 735 HB2 TYR 92 HB2 TYR 92 -9.371 2.957 1.258 736 HB3 TYR 92 HB1 TYR 92 -10.269 3.635 2.603 737 HD1 TYR 92 HD1 TYR 92 -10.159 0.547 0.505 738 HD2 TYR 92 HD2 TYR 92 -10.813 2.219 4.353 739 HE1 TYR 92 HE1 TYR 92 -10.307 -1.720 1.449 740 HE2 TYR 92 HE2 TYR 92 -10.976 -0.047 5.314 741 HH TYR 92 HH TYR 92 -9.881 -2.739 3.771 742 H GLN 93 HN GLN 93 -12.398 5.603 1.407 743 HA GLN 93 HA GLN 93 -14.407 4.893 3.280 744 HB2 GLN 93 HB2 GLN 93 -13.380 7.165 3.027 745 HB3 GLN 93 HB1 GLN 93 -14.285 7.359 1.535 746 HG2 GLN 93 HG2 GLN 93 -15.422 8.506 3.294 747 HG3 GLN 93 HG1 GLN 93 -16.374 7.094 2.829 748 HE21 GLN 93 HE21 GLN 93 -17.415 7.034 4.804 749 HE22 GLN 93 HE22 GLN 93 -16.624 6.545 6.259 750 H SER 94 HN SER 94 -14.350 5.340 -0.193 751 HA SER 94 HA SER 94 -17.180 5.083 -0.539 752 HB2 SER 94 HB2 SER 94 -15.025 4.822 -2.611 753 HB3 SER 94 HB1 SER 94 -16.677 5.418 -2.805 754 HG SER 94 HG SER 94 -16.076 7.323 -2.149 755 H TYR 95 HN TYR 95 -14.528 2.957 -0.084 756 HA TYR 95 HA TYR 95 -16.057 0.728 -1.176 757 HB2 TYR 95 HB2 TYR 95 -13.062 1.078 -1.426 758 HB3 TYR 95 HB1 TYR 95 -14.025 -0.273 -2.006 759 HD1 TYR 95 HD2 TYR 95 -16.015 0.434 -3.635 760 HD2 TYR 95 HD1 TYR 95 -12.493 2.729 -2.975 761 HE1 TYR 95 HE2 TYR 95 -16.394 1.622 -5.749 762 HE2 TYR 95 HE1 TYR 95 -12.875 3.927 -5.088 763 HH TYR 95 HH TYR 95 -14.099 3.479 -7.268 764 H GLN 96 HN GLN 96 -16.791 0.759 0.982 765 HA GLN 96 HA GLN 96 -16.992 -0.167 3.021 766 HB2 GLN 96 HB2 GLN 96 -15.057 -2.222 1.965 767 HB3 GLN 96 HB1 GLN 96 -16.149 -2.424 3.327 768 HG2 GLN 96 HG2 GLN 96 -18.058 -2.194 1.815 769 HG3 GLN 96 HG1 GLN 96 -16.951 -2.008 0.458 770 HE21 GLN 96 HE21 GLN 96 -15.098 -4.026 1.628 771 HE22 GLN 96 HE22 GLN 96 -15.841 -5.550 1.318 772 HA PRO 97 HA PRO 97 -13.059 1.622 4.697 773 HB2 PRO 97 HB2 PRO 97 -14.150 3.366 6.369 774 HB3 PRO 97 HB1 PRO 97 -14.080 3.690 4.635 775 HG2 PRO 97 HG2 PRO 97 -16.342 2.579 6.258 776 HG3 PRO 97 HG1 PRO 97 -16.435 3.918 5.129 777 HD2 PRO 97 HD2 PRO 97 -17.167 1.444 4.429 778 HD3 PRO 97 HD1 PRO 97 -16.341 2.497 3.262 779 H ARG 98 HN ARG 98 -15.514 -0.240 5.890 780 HA ARG 98 HA ARG 98 -14.228 -0.671 8.438 781 HB2 ARG 98 HB2 ARG 98 -16.476 -0.443 9.577 782 HB3 ARG 98 HB1 ARG 98 -15.723 1.051 9.035 783 HG2 ARG 98 HG2 ARG 98 -17.175 0.967 7.007 784 HG3 ARG 98 HG1 ARG 98 -18.015 -0.414 7.728 785 HD2 ARG 98 HD2 ARG 98 -17.761 2.352 8.889 786 HD3 ARG 98 HD1 ARG 98 -19.195 1.688 8.108 787 HE ARG 98 HE ARG 98 -18.972 -0.048 9.992 788 HH11 ARG 98 HH11 ARG 98 -18.279 3.444 10.340 789 HH12 ARG 98 HH12 ARG 98 -18.801 3.511 11.961 790 HH21 ARG 98 HH21 ARG 98 -19.674 0.103 12.243 791 HH22 ARG 98 HH22 ARG 98 -19.605 1.595 13.047 792 H THR 99 HN THR 99 -14.923 -2.616 9.459 793 HA THR 99 HA THR 99 -15.435 -4.704 7.604 794 HB THR 99 HB THR 99 -15.225 -4.783 10.619 795 HG1 THR 99 HG1 THR 99 -13.199 -5.117 8.655 796 HG21 THR 99 HG21 THR 99 -14.675 -6.888 8.506 797 HG22 THR 99 HG22 THR 99 -16.076 -6.854 9.574 798 HG23 THR 99 HG23 THR 99 -14.462 -7.091 10.244 799 H SER 100 HN SER 100 -17.495 -4.986 6.927 800 HA SER 100 HA SER 100 -19.688 -4.310 8.576 801 HB2 SER 100 HB2 SER 100 -20.912 -5.367 6.483 802 HB3 SER 100 HB1 SER 100 -20.136 -3.788 6.360 803 HG SER 100 HG SER 100 -19.222 -6.303 5.437 Start of MODEL 5 1 H1 GLY -1 HT1 GLY -1 -9.645 -11.847 7.888 2 H2 GLY -1 HT2 GLY -1 -9.784 -13.501 7.938 3 H3 GLY -1 HT3 GLY -1 -10.920 -12.546 8.764 4 HA2 GLY -1 HA1 GLY -1 -11.847 -13.447 6.739 5 HA3 GLY -1 HA2 GLY -1 -11.670 -11.696 6.615 6 H SER 0 HN SER 0 -11.755 -12.167 4.306 7 HA SER 0 HA SER 0 -9.186 -12.159 3.141 8 HB2 SER 0 HB2 SER 0 -9.593 -14.657 3.513 9 HB3 SER 0 HB1 SER 0 -10.998 -14.512 2.454 10 HG SER 0 HG SER 0 -8.331 -14.633 1.873 11 H MET 1 HN MET 1 -10.112 -12.767 0.528 12 HA MET 1 HA MET 1 -11.374 -12.118 -1.221 13 HB2 MET 1 HB2 MET 1 -13.348 -10.990 0.780 14 HB3 MET 1 HB1 MET 1 -13.580 -10.995 -0.959 15 HG2 MET 1 HG2 MET 1 -13.624 -13.421 -0.953 16 HG3 MET 1 HG1 MET 1 -13.335 -13.434 0.789 17 HE1 MET 1 HE1 MET 1 -17.183 -11.872 -1.237 18 HE2 MET 1 HE2 MET 1 -15.793 -12.528 -2.106 19 HE3 MET 1 HE3 MET 1 -15.670 -10.974 -1.283 20 HA PRO 2 HA PRO 2 -9.665 -7.982 -1.145 21 HB2 PRO 2 HB2 PRO 2 -8.270 -8.160 -3.442 22 HB3 PRO 2 HB1 PRO 2 -7.704 -8.865 -1.909 23 HG2 PRO 2 HG2 PRO 2 -8.985 -10.233 -4.239 24 HG3 PRO 2 HG1 PRO 2 -7.621 -10.775 -3.252 25 HD2 PRO 2 HD2 PRO 2 -10.253 -11.589 -2.915 26 HD3 PRO 2 HD1 PRO 2 -9.008 -11.681 -1.658 27 H PHE 3 HN PHE 3 -11.496 -7.004 -1.457 28 HA PHE 3 HA PHE 3 -12.848 -7.205 -4.089 29 HB2 PHE 3 HB2 PHE 3 -14.114 -8.102 -2.100 30 HB3 PHE 3 HB1 PHE 3 -14.092 -6.488 -1.415 31 HD1 PHE 3 HD1 PHE 3 -15.343 -4.645 -2.653 32 HD2 PHE 3 HD2 PHE 3 -15.737 -8.765 -3.626 33 HE1 PHE 3 HE1 PHE 3 -17.459 -4.169 -3.814 34 HE2 PHE 3 HE2 PHE 3 -17.846 -8.291 -4.790 35 HZ PHE 3 HZ PHE 3 -18.708 -5.991 -4.888 36 H ALA 4 HN ALA 4 -12.865 -5.020 -1.332 37 HA ALA 4 HA ALA 4 -13.063 -2.719 -3.062 38 HB1 ALA 4 HB1 ALA 4 -13.112 -1.526 -0.875 39 HB2 ALA 4 HB2 ALA 4 -13.015 -3.094 -0.069 40 HB3 ALA 4 HB3 ALA 4 -14.387 -2.683 -1.106 41 H GLU 5 HN GLU 5 -10.739 -4.534 -1.381 42 HA GLU 5 HA GLU 5 -8.652 -2.649 -1.215 43 HB2 GLU 5 HB2 GLU 5 -8.518 -5.667 -1.438 44 HB3 GLU 5 HB1 GLU 5 -7.201 -4.622 -0.945 45 HG2 GLU 5 HG2 GLU 5 -8.089 -5.631 1.029 46 HG3 GLU 5 HG1 GLU 5 -8.588 -3.951 1.027 47 H ASP 6 HN ASP 6 -9.854 -4.833 -3.633 48 HA ASP 6 HA ASP 6 -7.697 -4.594 -5.478 49 HB2 ASP 6 HB2 ASP 6 -9.326 -6.453 -5.604 50 HB3 ASP 6 HB1 ASP 6 -10.605 -5.300 -5.973 51 H LYS 7 HN LYS 7 -10.857 -3.113 -5.149 52 HA LYS 7 HA LYS 7 -10.853 -1.316 -7.282 53 HB2 LYS 7 HB2 LYS 7 -12.011 -0.842 -4.528 54 HB3 LYS 7 HB1 LYS 7 -12.471 -0.003 -5.998 55 HG2 LYS 7 HG2 LYS 7 -12.858 -2.947 -5.489 56 HG3 LYS 7 HG1 LYS 7 -14.098 -1.705 -5.309 57 HD2 LYS 7 HD2 LYS 7 -13.933 -1.180 -7.680 58 HD3 LYS 7 HD1 LYS 7 -12.645 -2.373 -7.864 59 HE2 LYS 7 HE2 LYS 7 -14.169 -4.153 -7.223 60 HE3 LYS 7 HE1 LYS 7 -15.448 -2.974 -6.946 61 HZ1 LYS 7 HZ1 LYS 7 -14.143 -3.501 -9.559 62 HZ2 LYS 7 HZ2 LYS 7 -15.420 -2.421 -9.277 63 HZ3 LYS 7 HZ3 LYS 7 -15.663 -4.072 -9.102 64 H THR 8 HN THR 8 -9.675 -0.861 -3.979 65 HA THR 8 HA THR 8 -8.814 1.784 -4.319 66 HB THR 8 HB THR 8 -7.782 -0.263 -2.327 67 HG1 THR 8 HG1 THR 8 -10.022 -0.080 -2.090 68 HG21 THR 8 HG21 THR 8 -7.842 2.768 -2.242 69 HG22 THR 8 HG22 THR 8 -6.400 1.772 -2.445 70 HG23 THR 8 HG23 THR 8 -7.303 1.715 -0.933 71 H TYR 9 HN TYR 9 -7.134 -1.324 -4.702 72 HA TYR 9 HA TYR 9 -4.561 -0.297 -5.130 73 HB2 TYR 9 HB2 TYR 9 -4.895 -2.669 -4.689 74 HB3 TYR 9 HB1 TYR 9 -5.810 -2.848 -6.180 75 HD1 TYR 9 HD1 TYR 9 -2.440 -2.086 -4.843 76 HD2 TYR 9 HD2 TYR 9 -4.707 -3.275 -8.241 77 HE1 TYR 9 HE1 TYR 9 -0.365 -2.589 -6.058 78 HE2 TYR 9 HE2 TYR 9 -2.629 -3.775 -9.454 79 HH TYR 9 HH TYR 9 0.411 -3.877 -7.859 80 H LYS 10 HN LYS 10 -7.156 -1.027 -7.402 81 HA LYS 10 HA LYS 10 -5.713 -0.428 -9.763 82 HB2 LYS 10 HB2 LYS 10 -8.698 -0.220 -9.310 83 HB3 LYS 10 HB1 LYS 10 -7.891 -0.357 -10.868 84 HG2 LYS 10 HG2 LYS 10 -7.874 -2.446 -8.700 85 HG3 LYS 10 HG1 LYS 10 -8.922 -2.457 -10.114 86 HD2 LYS 10 HD2 LYS 10 -7.034 -2.699 -11.576 87 HD3 LYS 10 HD1 LYS 10 -5.904 -2.469 -10.239 88 HE2 LYS 10 HE2 LYS 10 -6.134 -4.841 -10.872 89 HE3 LYS 10 HE1 LYS 10 -6.628 -4.532 -9.215 90 HZ1 LYS 10 HZ1 LYS 10 -8.139 -6.022 -10.445 91 HZ2 LYS 10 HZ2 LYS 10 -8.589 -4.734 -11.457 92 HZ3 LYS 10 HZ3 LYS 10 -8.878 -4.684 -9.804 93 H TYR 11 HN TYR 11 -7.549 1.507 -7.544 94 HA TYR 11 HA TYR 11 -7.706 3.917 -9.016 95 HB2 TYR 11 HB2 TYR 11 -8.889 3.242 -6.774 96 HB3 TYR 11 HB1 TYR 11 -7.398 3.737 -6.040 97 HD1 TYR 11 HD2 TYR 11 -6.644 6.093 -6.095 98 HD2 TYR 11 HD1 TYR 11 -10.432 4.913 -7.614 99 HE1 TYR 11 HE2 TYR 11 -7.393 8.434 -6.028 100 HE2 TYR 11 HE1 TYR 11 -11.193 7.249 -7.551 101 HH TYR 11 HH TYR 11 -10.588 9.295 -6.265 102 H ILE 12 HN ILE 12 -5.500 2.796 -6.503 103 HA ILE 12 HA ILE 12 -3.774 5.055 -6.609 104 HB ILE 12 HB ILE 12 -3.283 2.305 -5.414 105 HG12 ILE 12 HG12 ILE 12 -5.301 3.401 -4.530 106 HG13 ILE 12 HG11 ILE 12 -4.056 3.252 -3.288 107 HG21 ILE 12 HG21 ILE 12 -1.195 3.545 -5.688 108 HG22 ILE 12 HG22 ILE 12 -1.619 3.408 -3.983 109 HG23 ILE 12 HG23 ILE 12 -1.891 4.927 -4.838 110 HD11 ILE 12 HD11 ILE 12 -4.831 5.736 -4.819 111 HD12 ILE 12 HD12 ILE 12 -3.513 5.646 -3.654 112 HD13 ILE 12 HD13 ILE 12 -5.174 5.383 -3.126 113 H CYS 13 HN CYS 13 -3.862 2.054 -8.318 114 HA CYS 13 HA CYS 13 -1.277 2.021 -9.385 115 HB2 CYS 13 HB2 CYS 13 -2.932 0.173 -9.541 116 HB3 CYS 13 HB1 CYS 13 -3.847 1.118 -10.695 117 HG CYS 13 HG CYS 13 -1.190 1.219 -12.197 118 H ARG 14 HN ARG 14 -4.019 3.975 -10.096 119 HA ARG 14 HA ARG 14 -3.027 4.972 -12.623 120 HB2 ARG 14 HB2 ARG 14 -5.170 6.105 -10.835 121 HB3 ARG 14 HB1 ARG 14 -4.808 6.661 -12.453 122 HG2 ARG 14 HG2 ARG 14 -5.407 4.292 -13.207 123 HG3 ARG 14 HG1 ARG 14 -6.043 4.107 -11.558 124 HD2 ARG 14 HD2 ARG 14 -6.872 6.316 -13.428 125 HD3 ARG 14 HD1 ARG 14 -7.744 4.798 -13.278 126 HE ARG 14 HE ARG 14 -8.462 5.395 -11.205 127 HH11 ARG 14 HH11 ARG 14 -6.304 7.961 -12.423 128 HH12 ARG 14 HH12 ARG 14 -6.949 9.188 -11.429 129 HH21 ARG 14 HH21 ARG 14 -9.443 7.168 -9.928 130 HH22 ARG 14 HH22 ARG 14 -8.798 8.744 -10.061 131 H ASN 15 HN ASN 15 -3.127 6.099 -9.290 132 HA ASN 15 HA ASN 15 -1.711 8.541 -10.085 133 HB2 ASN 15 HB2 ASN 15 -2.396 9.490 -7.884 134 HB3 ASN 15 HB1 ASN 15 -3.779 8.870 -8.795 135 HD21 ASN 15 HD21 ASN 15 -4.849 7.065 -8.081 136 HD22 ASN 15 HD22 ASN 15 -4.611 6.512 -6.467 137 H PHE 16 HN PHE 16 -0.668 5.829 -9.706 138 HA PHE 16 HA PHE 16 1.014 5.505 -7.566 139 HB2 PHE 16 HB2 PHE 16 0.763 3.789 -9.303 140 HB3 PHE 16 HB1 PHE 16 1.645 4.793 -10.444 141 HD1 PHE 16 HD1 PHE 16 2.011 3.024 -7.187 142 HD2 PHE 16 HD2 PHE 16 3.973 4.597 -10.625 143 HE1 PHE 16 HE1 PHE 16 4.118 1.988 -6.459 144 HE2 PHE 16 HE2 PHE 16 6.082 3.561 -9.898 145 HZ PHE 16 HZ PHE 16 6.156 2.255 -7.811 146 H SER 17 HN SER 17 1.508 7.718 -10.263 147 HA SER 17 HA SER 17 4.181 8.388 -9.792 148 HB2 SER 17 HB2 SER 17 1.981 10.114 -10.922 149 HB3 SER 17 HB1 SER 17 3.716 10.276 -11.224 150 HG SER 17 HG SER 17 2.702 9.121 -12.910 151 H ASN 18 HN ASN 18 1.407 9.096 -7.937 152 HA ASN 18 HA ASN 18 2.409 11.497 -6.659 153 HB2 ASN 18 HB2 ASN 18 -0.016 11.106 -6.982 154 HB3 ASN 18 HB1 ASN 18 0.092 9.657 -6.006 155 HD21 ASN 18 HD21 ASN 18 -1.435 10.385 -4.567 156 HD22 ASN 18 HD22 ASN 18 -1.148 11.624 -3.442 157 H PHE 19 HN PHE 19 2.102 8.055 -6.051 158 HA PHE 19 HA PHE 19 3.470 8.254 -3.480 159 HB2 PHE 19 HB2 PHE 19 1.988 6.016 -4.868 160 HB3 PHE 19 HB1 PHE 19 2.867 5.809 -3.363 161 HD1 PHE 19 HD1 PHE 19 -0.073 7.327 -4.952 162 HD2 PHE 19 HD2 PHE 19 1.987 6.633 -1.296 163 HE1 PHE 19 HE1 PHE 19 -2.076 7.999 -3.700 164 HE2 PHE 19 HE2 PHE 19 -0.011 7.302 -0.037 165 HZ PHE 19 HZ PHE 19 -2.046 7.992 -1.240 166 H CYS 20 HN CYS 20 4.635 8.551 -6.223 167 HA CYS 20 HA CYS 20 6.290 6.194 -6.529 168 HB2 CYS 20 HB2 CYS 20 5.425 7.198 -8.536 169 HB3 CYS 20 HB1 CYS 20 6.092 8.766 -8.101 170 HG CYS 20 HG CYS 20 8.686 7.425 -8.061 171 H ASN 21 HN ASN 21 6.411 9.007 -4.820 172 HA ASN 21 HA ASN 21 9.184 8.603 -4.192 173 HB2 ASN 21 HB2 ASN 21 9.257 10.421 -5.854 174 HB3 ASN 21 HB1 ASN 21 8.012 11.287 -4.969 175 HD21 ASN 21 HD21 ASN 21 10.824 9.638 -3.468 176 HD22 ASN 21 HD22 ASN 21 11.503 11.106 -2.890 177 H VAL 22 HN VAL 22 8.369 7.689 -2.447 178 HA VAL 22 HA VAL 22 7.525 9.423 -0.330 179 HB VAL 22 HB VAL 22 5.481 8.533 -1.683 180 HG11 VAL 22 HG11 VAL 22 6.163 5.979 -0.360 181 HG12 VAL 22 HG12 VAL 22 6.057 6.340 -2.094 182 HG13 VAL 22 HG13 VAL 22 4.608 6.388 -1.087 183 HG21 VAL 22 HG21 VAL 22 4.122 8.170 0.326 184 HG22 VAL 22 HG22 VAL 22 5.194 9.567 0.461 185 HG23 VAL 22 HG23 VAL 22 5.604 8.057 1.276 186 H ASP 23 HN ASP 23 7.375 7.723 1.685 187 HA ASP 23 HA ASP 23 9.869 6.273 1.466 188 HB2 ASP 23 HB2 ASP 23 9.010 7.692 3.591 189 HB3 ASP 23 HB1 ASP 23 8.212 6.175 3.953 190 H VAL 24 HN VAL 24 9.750 4.142 2.846 191 HA VAL 24 HA VAL 24 7.481 2.448 2.208 192 HB VAL 24 HB VAL 24 10.221 1.882 0.977 193 HG11 VAL 24 HG11 VAL 24 9.334 -0.171 1.928 194 HG12 VAL 24 HG12 VAL 24 9.276 -0.192 0.155 195 HG13 VAL 24 HG13 VAL 24 7.801 0.095 1.077 196 HG21 VAL 24 HG21 VAL 24 8.825 3.323 -0.385 197 HG22 VAL 24 HG22 VAL 24 7.505 2.159 -0.291 198 HG23 VAL 24 HG23 VAL 24 8.999 1.737 -1.130 199 H VAL 25 HN VAL 25 10.740 2.810 3.494 200 HA VAL 25 HA VAL 25 10.544 0.402 5.000 201 HB VAL 25 HB VAL 25 12.718 1.055 5.975 202 HG11 VAL 25 HG11 VAL 25 12.509 1.087 2.960 203 HG12 VAL 25 HG12 VAL 25 12.601 -0.348 3.988 204 HG13 VAL 25 HG13 VAL 25 13.981 0.743 3.866 205 HG21 VAL 25 HG21 VAL 25 12.544 3.479 5.830 206 HG22 VAL 25 HG22 VAL 25 12.516 3.387 4.069 207 HG23 VAL 25 HG23 VAL 25 13.968 2.917 4.952 208 H GLU 26 HN GLU 26 10.038 3.797 5.619 209 HA GLU 26 HA GLU 26 9.728 3.477 8.413 210 HB2 GLU 26 HB2 GLU 26 8.962 5.532 6.381 211 HB3 GLU 26 HB1 GLU 26 8.615 5.772 8.066 212 HG2 GLU 26 HG2 GLU 26 11.333 5.440 6.796 213 HG3 GLU 26 HG1 GLU 26 10.644 6.935 7.419 214 H ILE 27 HN ILE 27 7.948 2.638 5.737 215 HA ILE 27 HA ILE 27 5.269 2.675 6.969 216 HB ILE 27 HB ILE 27 6.369 2.050 4.225 217 HG12 ILE 27 HG12 ILE 27 4.473 4.193 5.201 218 HG13 ILE 27 HG11 ILE 27 6.143 4.395 4.703 219 HG21 ILE 27 HG21 ILE 27 4.125 1.619 3.373 220 HG22 ILE 27 HG22 ILE 27 3.504 1.631 5.021 221 HG23 ILE 27 HG23 ILE 27 4.668 0.402 4.528 222 HD11 ILE 27 HD11 ILE 27 5.544 3.798 2.427 223 HD12 ILE 27 HD12 ILE 27 4.599 5.172 2.999 224 HD13 ILE 27 HD13 ILE 27 3.866 3.566 2.918 225 H LEU 28 HN LEU 28 7.735 0.386 5.947 226 HA LEU 28 HA LEU 28 6.423 -1.994 6.114 227 HB2 LEU 28 HB2 LEU 28 9.253 -1.421 6.974 228 HB3 LEU 28 HB1 LEU 28 8.606 -3.039 6.835 229 HG LEU 28 HG LEU 28 8.834 -1.082 4.545 230 HD11 LEU 28 HD11 LEU 28 11.027 -1.788 5.374 231 HD12 LEU 28 HD12 LEU 28 10.679 -2.496 3.799 232 HD13 LEU 28 HD13 LEU 28 10.527 -3.476 5.258 233 HD21 LEU 28 HD21 LEU 28 7.028 -2.717 4.264 234 HD22 LEU 28 HD22 LEU 28 8.166 -4.022 4.615 235 HD23 LEU 28 HD23 LEU 28 8.369 -3.044 3.168 236 HA PRO 29 HA PRO 29 7.153 -2.603 10.897 237 HB2 PRO 29 HB2 PRO 29 7.415 -0.340 12.398 238 HB3 PRO 29 HB1 PRO 29 8.797 -1.256 11.782 239 HG2 PRO 29 HG2 PRO 29 7.499 1.195 10.650 240 HG3 PRO 29 HG1 PRO 29 9.225 0.857 10.879 241 HD2 PRO 29 HD2 PRO 29 8.099 0.575 8.489 242 HD3 PRO 29 HD1 PRO 29 9.311 -0.587 9.065 243 H TYR 30 HN TYR 30 5.381 -0.102 9.411 244 HA TYR 30 HA TYR 30 3.400 0.076 11.486 245 HB2 TYR 30 HB2 TYR 30 4.064 1.549 9.036 246 HB3 TYR 30 HB1 TYR 30 2.403 1.704 9.519 247 HD1 TYR 30 HD1 TYR 30 1.971 2.548 11.902 248 HD2 TYR 30 HD2 TYR 30 5.789 2.712 10.065 249 HE1 TYR 30 HE1 TYR 30 2.694 4.200 13.572 250 HE2 TYR 30 HE2 TYR 30 6.526 4.369 11.734 251 HH TYR 30 HH TYR 30 4.760 4.963 14.561 252 H LEU 31 HN LEU 31 3.938 -1.774 8.686 253 HA LEU 31 HA LEU 31 1.122 -2.488 8.515 254 HB2 LEU 31 HB2 LEU 31 3.396 -2.743 6.587 255 HB3 LEU 31 HB1 LEU 31 1.992 -3.767 6.445 256 HG LEU 31 HG LEU 31 0.584 -1.752 6.118 257 HD11 LEU 31 HD11 LEU 31 1.839 -0.161 7.343 258 HD12 LEU 31 HD12 LEU 31 1.597 0.356 5.667 259 HD13 LEU 31 HD13 LEU 31 3.162 -0.279 6.183 260 HD21 LEU 31 HD21 LEU 31 1.475 -2.944 4.201 261 HD22 LEU 31 HD22 LEU 31 2.943 -1.966 4.281 262 HD23 LEU 31 HD23 LEU 31 1.398 -1.206 3.893 263 HA PRO 32 HA PRO 32 2.552 -6.387 10.292 264 HB2 PRO 32 HB2 PRO 32 0.182 -7.033 11.454 265 HB3 PRO 32 HB1 PRO 32 1.329 -5.937 12.236 266 HG2 PRO 32 HG2 PRO 32 -1.190 -5.321 10.779 267 HG3 PRO 32 HG1 PRO 32 -0.479 -4.513 12.182 268 HD2 PRO 32 HD2 PRO 32 -0.322 -3.622 9.547 269 HD3 PRO 32 HD1 PRO 32 0.738 -3.095 10.863 270 H CYS 33 HN CYS 33 0.877 -8.532 10.156 271 HA CYS 33 HA CYS 33 -0.244 -9.989 8.879 272 HB2 CYS 33 HB2 CYS 33 -2.015 -8.368 8.463 273 HB3 CYS 33 HB1 CYS 33 -1.057 -7.583 7.218 274 HG CYS 33 HG CYS 33 -2.808 -10.467 7.090 275 H LEU 34 HN LEU 34 1.988 -7.826 7.169 276 HA LEU 34 HA LEU 34 2.488 -9.796 5.150 277 HB2 LEU 34 HB2 LEU 34 3.966 -7.285 5.878 278 HB3 LEU 34 HB1 LEU 34 4.449 -8.390 4.603 279 HG LEU 34 HG LEU 34 2.022 -7.964 3.747 280 HD11 LEU 34 HD11 LEU 34 1.241 -6.606 5.568 281 HD12 LEU 34 HD12 LEU 34 1.278 -5.666 4.074 282 HD13 LEU 34 HD13 LEU 34 2.539 -5.447 5.287 283 HD21 LEU 34 HD21 LEU 34 2.909 -6.199 2.324 284 HD22 LEU 34 HD22 LEU 34 3.982 -7.589 2.558 285 HD23 LEU 34 HD23 LEU 34 4.315 -6.071 3.406 286 H THR 35 HN THR 35 4.019 -11.251 5.153 287 HA THR 35 HA THR 35 5.012 -12.199 7.552 288 HB THR 35 HB THR 35 6.463 -13.473 5.679 289 HG1 THR 35 HG1 THR 35 5.527 -13.327 3.717 290 HG21 THR 35 HG21 THR 35 4.753 -14.494 7.145 291 HG22 THR 35 HG22 THR 35 4.567 -15.044 5.478 292 HG23 THR 35 HG23 THR 35 3.485 -13.814 6.126 293 H ALA 36 HN ALA 36 7.173 -12.341 8.300 294 HA ALA 36 HA ALA 36 8.627 -9.981 8.353 295 HB1 ALA 36 HB1 ALA 36 10.376 -11.268 9.474 296 HB2 ALA 36 HB2 ALA 36 9.613 -12.767 8.936 297 HB3 ALA 36 HB3 ALA 36 8.776 -11.712 10.070 298 H ARG 37 HN ARG 37 9.233 -12.900 6.473 299 HA ARG 37 HA ARG 37 11.592 -12.111 5.196 300 HB2 ARG 37 HB2 ARG 37 9.434 -14.079 4.548 301 HB3 ARG 37 HB1 ARG 37 10.850 -13.874 3.534 302 HG2 ARG 37 HG2 ARG 37 11.050 -14.466 6.458 303 HG3 ARG 37 HG1 ARG 37 10.906 -15.733 5.233 304 HD2 ARG 37 HD2 ARG 37 12.979 -13.568 5.195 305 HD3 ARG 37 HD1 ARG 37 13.278 -15.160 5.913 306 HE ARG 37 HE ARG 37 12.480 -15.874 3.516 307 HH11 ARG 37 HH11 ARG 37 14.817 -13.348 4.355 308 HH12 ARG 37 HH12 ARG 37 15.670 -13.431 2.894 309 HH21 ARG 37 HH21 ARG 37 13.692 -16.014 1.496 310 HH22 ARG 37 HH22 ARG 37 15.020 -14.995 1.222 311 H ASP 38 HN ASP 38 8.318 -11.460 4.604 312 HA ASP 38 HA ASP 38 8.562 -10.641 1.836 313 HB2 ASP 38 HB2 ASP 38 6.365 -11.297 3.130 314 HB3 ASP 38 HB1 ASP 38 6.410 -9.630 3.662 315 H GLN 39 HN GLN 39 8.171 -8.988 4.912 316 HA GLN 39 HA GLN 39 8.509 -6.341 4.035 317 HB2 GLN 39 HB2 GLN 39 9.155 -7.584 6.718 318 HB3 GLN 39 HB1 GLN 39 9.080 -5.858 6.414 319 HG2 GLN 39 HG2 GLN 39 6.705 -6.021 5.935 320 HG3 GLN 39 HG1 GLN 39 6.698 -7.756 6.179 321 HE21 GLN 39 HE21 GLN 39 5.346 -7.784 7.892 322 HE22 GLN 39 HE22 GLN 39 5.742 -7.090 9.427 323 H ASP 40 HN ASP 40 10.761 -8.752 5.213 324 HA ASP 40 HA ASP 40 13.179 -7.344 5.191 325 HB2 ASP 40 HB2 ASP 40 12.964 -9.573 6.156 326 HB3 ASP 40 HB1 ASP 40 12.638 -10.243 4.571 327 H ARG 41 HN ARG 41 11.632 -9.207 2.666 328 HA ARG 41 HA ARG 41 13.456 -8.908 0.608 329 HB2 ARG 41 HB2 ARG 41 11.627 -10.485 0.524 330 HB3 ARG 41 HB1 ARG 41 10.449 -9.203 0.614 331 HG2 ARG 41 HG2 ARG 41 12.310 -9.389 -1.695 332 HG3 ARG 41 HG1 ARG 41 10.893 -10.441 -1.620 333 HD2 ARG 41 HD2 ARG 41 10.927 -7.419 -1.616 334 HD3 ARG 41 HD1 ARG 41 10.366 -8.462 -2.924 335 HE ARG 41 HE ARG 41 9.056 -8.436 -0.275 336 HH11 ARG 41 HH11 ARG 41 8.799 -8.287 -3.819 337 HH12 ARG 41 HH12 ARG 41 7.102 -8.198 -3.797 338 HH21 ARG 41 HH21 ARG 41 6.712 -8.312 -0.283 339 HH22 ARG 41 HH22 ARG 41 5.926 -8.169 -1.770 340 H LEU 42 HN LEU 42 10.769 -6.817 1.519 341 HA LEU 42 HA LEU 42 11.204 -4.891 -0.521 342 HB2 LEU 42 HB2 LEU 42 9.756 -4.722 2.126 343 HB3 LEU 42 HB1 LEU 42 9.734 -3.446 0.925 344 HG LEU 42 HG LEU 42 8.733 -6.239 0.334 345 HD11 LEU 42 HD11 LEU 42 7.427 -5.311 2.178 346 HD12 LEU 42 HD12 LEU 42 6.482 -5.368 0.688 347 HD13 LEU 42 HD13 LEU 42 7.156 -3.839 1.248 348 HD21 LEU 42 HD21 LEU 42 9.304 -4.820 -1.608 349 HD22 LEU 42 HD22 LEU 42 8.190 -3.581 -1.014 350 HD23 LEU 42 HD23 LEU 42 7.581 -5.151 -1.501 351 H ARG 43 HN ARG 43 12.178 -5.132 2.849 352 HA ARG 43 HA ARG 43 13.492 -2.705 3.228 353 HB2 ARG 43 HB2 ARG 43 12.936 -4.445 4.954 354 HB3 ARG 43 HB1 ARG 43 14.279 -5.398 4.356 355 HG2 ARG 43 HG2 ARG 43 14.851 -4.215 6.413 356 HG3 ARG 43 HG1 ARG 43 15.837 -3.654 5.058 357 HD2 ARG 43 HD2 ARG 43 14.649 -1.648 4.878 358 HD3 ARG 43 HD1 ARG 43 13.296 -2.265 5.817 359 HE ARG 43 HE ARG 43 14.994 -2.293 7.697 360 HH11 ARG 43 HH11 ARG 43 15.375 0.065 5.091 361 HH12 ARG 43 HH12 ARG 43 15.619 1.398 6.105 362 HH21 ARG 43 HH21 ARG 43 15.339 -0.427 9.131 363 HH22 ARG 43 HH22 ARG 43 15.564 1.115 8.464 364 H ALA 44 HN ALA 44 14.680 -5.754 1.948 365 HA ALA 44 HA ALA 44 17.340 -4.909 1.484 366 HB1 ALA 44 HB1 ALA 44 15.810 -7.151 0.164 367 HB2 ALA 44 HB2 ALA 44 16.707 -7.275 1.677 368 HB3 ALA 44 HB3 ALA 44 17.562 -6.944 0.171 369 H THR 45 HN THR 45 14.587 -5.296 -0.729 370 HA THR 45 HA THR 45 15.888 -4.531 -3.075 371 HB THR 45 HB THR 45 12.954 -4.093 -2.410 372 HG1 THR 45 HG1 THR 45 13.523 -6.245 -2.056 373 HG21 THR 45 HG21 THR 45 12.612 -4.356 -4.841 374 HG22 THR 45 HG22 THR 45 14.353 -4.524 -5.067 375 HG23 THR 45 HG23 THR 45 13.681 -2.992 -4.504 376 H CYS 46 HN CYS 46 14.427 -2.573 -0.586 377 HA CYS 46 HA CYS 46 14.230 -0.097 -1.802 378 HB2 CYS 46 HB2 CYS 46 13.299 -0.771 0.356 379 HB3 CYS 46 HB1 CYS 46 14.882 -0.762 1.054 380 HG CYS 46 HG CYS 46 12.988 1.880 0.111 381 H THR 47 HN THR 47 16.867 -1.490 -0.034 382 HA THR 47 HA THR 47 18.548 0.802 -0.640 383 HB THR 47 HB THR 47 18.695 -0.099 1.638 384 HG1 THR 47 HG1 THR 47 20.601 0.779 0.563 385 HG21 THR 47 HG21 THR 47 18.230 -2.455 1.210 386 HG22 THR 47 HG22 THR 47 19.745 -2.282 2.099 387 HG23 THR 47 HG23 THR 47 19.769 -2.618 0.367 388 H LEU 48 HN LEU 48 18.000 -2.358 -1.873 389 HA LEU 48 HA LEU 48 20.544 -2.581 -3.174 390 HB2 LEU 48 HB2 LEU 48 18.046 -4.218 -3.466 391 HB3 LEU 48 HB1 LEU 48 19.535 -4.566 -4.319 392 HG LEU 48 HG LEU 48 19.122 -4.639 -1.328 393 HD11 LEU 48 HD11 LEU 48 18.087 -6.499 -2.479 394 HD12 LEU 48 HD12 LEU 48 19.500 -7.034 -1.568 395 HD13 LEU 48 HD13 LEU 48 19.599 -6.842 -3.319 396 HD21 LEU 48 HD21 LEU 48 21.402 -5.560 -1.237 397 HD22 LEU 48 HD22 LEU 48 21.384 -3.901 -1.820 398 HD23 LEU 48 HD23 LEU 48 21.595 -5.235 -2.959 399 H SER 49 HN SER 49 17.274 -1.763 -4.325 400 HA SER 49 HA SER 49 18.583 -1.098 -6.871 401 HB2 SER 49 HB2 SER 49 16.690 -2.889 -6.846 402 HB3 SER 49 HB1 SER 49 15.620 -1.539 -6.533 403 HG SER 49 HG SER 49 15.734 -0.954 -8.566 404 H GLY 50 HN GLY 50 15.847 -0.064 -4.785 405 HA2 GLY 50 HA2 GLY 50 16.512 2.528 -4.465 406 HA3 GLY 50 HA1 GLY 50 15.654 2.467 -6.008 407 H ASN 51 HN ASN 51 14.385 3.839 -4.149 408 HA ASN 51 HA ASN 51 12.789 2.053 -2.537 409 HB2 ASN 51 HB2 ASN 51 13.505 4.504 -1.923 410 HB3 ASN 51 HB1 ASN 51 12.051 4.922 -2.828 411 HD21 ASN 51 HD21 ASN 51 10.880 5.611 -1.017 412 HD22 ASN 51 HD22 ASN 51 10.414 4.466 0.155 413 H ARG 52 HN ARG 52 12.394 4.009 -5.351 414 HA ARG 52 HA ARG 52 9.571 3.767 -5.756 415 HB2 ARG 52 HB2 ARG 52 11.097 5.253 -7.118 416 HB3 ARG 52 HB1 ARG 52 11.680 3.810 -7.933 417 HG2 ARG 52 HG2 ARG 52 9.270 3.382 -8.602 418 HG3 ARG 52 HG1 ARG 52 8.934 5.021 -8.053 419 HD2 ARG 52 HD2 ARG 52 10.773 5.783 -9.624 420 HD3 ARG 52 HD1 ARG 52 10.755 4.146 -10.288 421 HE ARG 52 HE ARG 52 8.358 5.826 -10.197 422 HH11 ARG 52 HH11 ARG 52 10.545 3.795 -12.136 423 HH12 ARG 52 HH12 ARG 52 9.624 3.966 -13.559 424 HH21 ARG 52 HH21 ARG 52 7.110 6.033 -12.164 425 HH22 ARG 52 HH22 ARG 52 7.618 5.252 -13.573 426 H ASP 53 HN ASP 53 12.272 1.718 -6.760 427 HA ASP 53 HA ASP 53 11.006 -0.228 -8.221 428 HB2 ASP 53 HB2 ASP 53 13.311 -0.623 -6.269 429 HB3 ASP 53 HB1 ASP 53 12.923 -1.543 -7.704 430 H THR 54 HN THR 54 11.621 0.106 -4.809 431 HA THR 54 HA THR 54 10.458 -2.330 -3.991 432 HB THR 54 HB THR 54 11.033 0.168 -2.392 433 HG1 THR 54 HG1 THR 54 12.971 -0.376 -3.280 434 HG21 THR 54 HG21 THR 54 10.962 -2.753 -1.613 435 HG22 THR 54 HG22 THR 54 9.708 -1.582 -1.222 436 HG23 THR 54 HG23 THR 54 11.341 -1.401 -0.549 437 H LEU 55 HN LEU 55 9.339 0.996 -4.250 438 HA LEU 55 HA LEU 55 6.905 0.909 -3.017 439 HB2 LEU 55 HB2 LEU 55 8.041 2.483 -5.273 440 HB3 LEU 55 HB1 LEU 55 6.319 2.608 -4.983 441 HG LEU 55 HG LEU 55 8.304 3.103 -2.759 442 HD11 LEU 55 HD11 LEU 55 7.205 5.040 -4.807 443 HD12 LEU 55 HD12 LEU 55 8.910 4.840 -4.329 444 HD13 LEU 55 HD13 LEU 55 7.738 5.540 -3.226 445 HD21 LEU 55 HD21 LEU 55 5.564 3.995 -3.329 446 HD22 LEU 55 HD22 LEU 55 6.474 4.249 -1.821 447 HD23 LEU 55 HD23 LEU 55 5.953 2.610 -2.294 448 H TRP 56 HN TRP 56 7.599 0.106 -6.402 449 HA TRP 56 HA TRP 56 4.941 -0.555 -7.045 450 HB2 TRP 56 HB2 TRP 56 6.635 -0.140 -8.789 451 HB3 TRP 56 HB1 TRP 56 7.469 -1.624 -8.334 452 HD1 TRP 56 HD1 TRP 56 6.799 -3.714 -9.671 453 HE1 TRP 56 HE1 TRP 56 4.831 -4.387 -11.167 454 HE3 TRP 56 HE3 TRP 56 3.872 0.434 -9.046 455 HZ2 TRP 56 HZ2 TRP 56 2.341 -3.282 -11.990 456 HZ3 TRP 56 HZ3 TRP 56 1.714 0.546 -10.219 457 HH2 TRP 56 HH2 TRP 56 0.964 -1.274 -11.658 458 H HIS 57 HN HIS 57 7.624 -2.584 -5.989 459 HA HIS 57 HA HIS 57 6.274 -5.052 -5.985 460 HB2 HIS 57 HB2 HIS 57 8.608 -4.087 -4.327 461 HB3 HIS 57 HB1 HIS 57 7.986 -5.722 -4.211 462 HD1 HIS 57 HD1 HIS 57 10.015 -3.477 -6.457 463 HD2 HIS 57 HD2 HIS 57 8.579 -7.374 -6.368 464 HE1 HIS 57 HE1 HIS 57 11.311 -4.730 -8.190 465 H LEU 58 HN LEU 58 6.572 -2.575 -3.534 466 HA LEU 58 HA LEU 58 5.357 -3.755 -1.346 467 HB2 LEU 58 HB2 LEU 58 6.519 -1.629 -1.297 468 HB3 LEU 58 HB1 LEU 58 5.318 -0.897 -2.306 469 HG LEU 58 HG LEU 58 3.660 -1.323 -0.406 470 HD11 LEU 58 HD11 LEU 58 4.936 -2.977 0.813 471 HD12 LEU 58 HD12 LEU 58 4.593 -1.573 1.825 472 HD13 LEU 58 HD13 LEU 58 6.199 -1.791 1.131 473 HD21 LEU 58 HD21 LEU 58 4.529 0.892 -0.900 474 HD22 LEU 58 HD22 LEU 58 5.970 0.560 0.057 475 HD23 LEU 58 HD23 LEU 58 4.394 0.660 0.843 476 H PHE 59 HN PHE 59 3.808 -1.542 -3.662 477 HA PHE 59 HA PHE 59 1.187 -2.000 -2.758 478 HB2 PHE 59 HB2 PHE 59 2.137 -1.008 -5.453 479 HB3 PHE 59 HB1 PHE 59 0.439 -1.107 -5.013 480 HD1 PHE 59 HD2 PHE 59 -0.399 0.237 -3.089 481 HD2 PHE 59 HD1 PHE 59 3.458 0.814 -4.767 482 HE1 PHE 59 HE2 PHE 59 -0.290 2.464 -2.060 483 HE2 PHE 59 HE1 PHE 59 3.578 3.046 -3.746 484 HZ PHE 59 HZ PHE 59 1.701 3.875 -2.390 485 H ASN 60 HN ASN 60 3.015 -3.633 -5.255 486 HA ASN 60 HA ASN 60 0.957 -5.279 -6.270 487 HB2 ASN 60 HB2 ASN 60 3.094 -4.946 -7.441 488 HB3 ASN 60 HB1 ASN 60 3.947 -5.770 -6.147 489 HD21 ASN 60 HD21 ASN 60 4.004 -8.004 -6.141 490 HD22 ASN 60 HD22 ASN 60 3.306 -8.948 -7.405 491 H THR 61 HN THR 61 2.865 -5.517 -3.413 492 HA THR 61 HA THR 61 2.045 -8.237 -2.900 493 HB THR 61 HB THR 61 3.662 -6.298 -1.252 494 HG1 THR 61 HG1 THR 61 4.705 -6.777 -3.118 495 HG21 THR 61 HG21 THR 61 3.221 -9.276 -1.009 496 HG22 THR 61 HG22 THR 61 2.682 -8.050 0.139 497 HG23 THR 61 HG23 THR 61 4.407 -8.365 -0.075 498 H LEU 62 HN LEU 62 1.469 -4.964 -1.633 499 HA LEU 62 HA LEU 62 -0.118 -5.541 0.509 500 HB2 LEU 62 HB2 LEU 62 0.223 -3.237 -1.287 501 HB3 LEU 62 HB1 LEU 62 -1.248 -3.254 -0.341 502 HG LEU 62 HG LEU 62 -0.004 -3.276 1.715 503 HD11 LEU 62 HD11 LEU 62 2.499 -3.388 0.060 504 HD12 LEU 62 HD12 LEU 62 1.870 -4.666 1.098 505 HD13 LEU 62 HD13 LEU 62 2.427 -3.149 1.806 506 HD21 LEU 62 HD21 LEU 62 1.117 -1.231 -0.185 507 HD22 LEU 62 HD22 LEU 62 1.120 -1.111 1.574 508 HD23 LEU 62 HD23 LEU 62 -0.406 -1.109 0.689 509 H GLN 63 HN GLN 63 -1.125 -5.310 -2.867 510 HA GLN 63 HA GLN 63 -3.885 -5.561 -2.353 511 HB2 GLN 63 HB2 GLN 63 -4.157 -6.197 -4.689 512 HB3 GLN 63 HB1 GLN 63 -3.039 -4.851 -4.543 513 HG2 GLN 63 HG2 GLN 63 -1.166 -6.282 -4.910 514 HG3 GLN 63 HG1 GLN 63 -2.171 -7.720 -4.855 515 HE21 GLN 63 HE21 GLN 63 -0.430 -6.889 -6.935 516 HE22 GLN 63 HE22 GLN 63 -1.390 -6.668 -8.350 517 H ARG 64 HN ARG 64 -1.430 -7.857 -1.965 518 HA ARG 64 HA ARG 64 -3.209 -10.160 -2.297 519 HB2 ARG 64 HB2 ARG 64 -0.254 -10.117 -1.645 520 HB3 ARG 64 HB1 ARG 64 -1.208 -11.518 -2.102 521 HG2 ARG 64 HG2 ARG 64 -1.531 -10.554 -4.338 522 HG3 ARG 64 HG1 ARG 64 -0.537 -9.171 -3.867 523 HD2 ARG 64 HD2 ARG 64 0.857 -10.690 -5.089 524 HD3 ARG 64 HD1 ARG 64 1.324 -10.772 -3.393 525 HE ARG 64 HE ARG 64 -0.515 -12.721 -4.569 526 HH11 ARG 64 HH11 ARG 64 2.582 -12.095 -2.883 527 HH12 ARG 64 HH12 ARG 64 2.901 -13.739 -2.620 528 HH21 ARG 64 HH21 ARG 64 -0.013 -14.990 -4.150 529 HH22 ARG 64 HH22 ARG 64 1.420 -15.401 -3.331 530 H ARG 65 HN ARG 65 -2.777 -7.944 0.000 531 HA ARG 65 HA ARG 65 -2.729 -9.894 2.187 532 HB2 ARG 65 HB2 ARG 65 -2.245 -6.910 2.462 533 HB3 ARG 65 HB1 ARG 65 -1.981 -8.141 3.676 534 HG2 ARG 65 HG2 ARG 65 -0.344 -7.592 1.210 535 HG3 ARG 65 HG1 ARG 65 0.143 -7.421 2.892 536 HD2 ARG 65 HD2 ARG 65 -0.402 -9.987 1.393 537 HD3 ARG 65 HD1 ARG 65 1.160 -9.391 1.938 538 HE ARG 65 HE ARG 65 0.075 -9.634 4.246 539 HH11 ARG 65 HH11 ARG 65 -0.617 -11.755 1.483 540 HH12 ARG 65 HH12 ARG 65 -0.733 -13.168 2.411 541 HH21 ARG 65 HH21 ARG 65 -0.074 -11.609 5.536 542 HH22 ARG 65 HH22 ARG 65 -0.413 -13.086 4.762 543 HA PRO 66 HA PRO 66 -7.050 -8.853 2.681 544 HB2 PRO 66 HB2 PRO 66 -6.747 -9.459 5.552 545 HB3 PRO 66 HB1 PRO 66 -7.766 -10.247 4.344 546 HG2 PRO 66 HG2 PRO 66 -5.577 -11.451 5.337 547 HG3 PRO 66 HG1 PRO 66 -6.072 -11.662 3.649 548 HD2 PRO 66 HD2 PRO 66 -3.918 -9.928 4.792 549 HD3 PRO 66 HD1 PRO 66 -3.914 -10.932 3.325 550 H GLY 67 HN GLY 67 -7.466 -6.740 2.542 551 HA2 GLY 67 HA2 GLY 67 -8.168 -4.673 3.296 552 HA3 GLY 67 HA1 GLY 67 -7.923 -5.256 4.933 553 H TRP 68 HN TRP 68 -5.528 -4.990 2.343 554 HA TRP 68 HA TRP 68 -3.452 -4.084 3.860 555 HB2 TRP 68 HB2 TRP 68 -2.341 -3.357 1.827 556 HB3 TRP 68 HB1 TRP 68 -3.122 -4.912 1.616 557 HD1 TRP 68 HD1 TRP 68 -5.187 -5.001 -0.138 558 HE1 TRP 68 HE1 TRP 68 -5.836 -3.428 -2.103 559 HE3 TRP 68 HE3 TRP 68 -2.409 -0.888 1.107 560 HZ2 TRP 68 HZ2 TRP 68 -5.254 -0.845 -2.983 561 HZ3 TRP 68 HZ3 TRP 68 -2.514 1.092 -0.359 562 HH2 TRP 68 HH2 TRP 68 -3.906 1.106 -2.356 563 H VAL 69 HN VAL 69 -5.967 -2.190 2.520 564 HA VAL 69 HA VAL 69 -4.815 0.335 2.391 565 HB VAL 69 HB VAL 69 -7.701 -0.282 3.038 566 HG11 VAL 69 HG11 VAL 69 -7.129 2.045 3.413 567 HG12 VAL 69 HG12 VAL 69 -8.150 1.897 1.984 568 HG13 VAL 69 HG13 VAL 69 -6.407 2.137 1.811 569 HG21 VAL 69 HG21 VAL 69 -8.074 -0.143 0.609 570 HG22 VAL 69 HG22 VAL 69 -7.001 -1.473 1.034 571 HG23 VAL 69 HG23 VAL 69 -6.336 0.015 0.362 572 H GLU 70 HN GLU 70 -6.415 -1.278 5.152 573 HA GLU 70 HA GLU 70 -6.553 1.005 6.739 574 HB2 GLU 70 HB2 GLU 70 -6.636 -1.923 7.369 575 HB3 GLU 70 HB1 GLU 70 -6.948 -0.651 8.538 576 HG2 GLU 70 HG2 GLU 70 -8.803 0.156 7.133 577 HG3 GLU 70 HG1 GLU 70 -8.513 -1.184 6.025 578 H TYR 71 HN TYR 71 -4.055 -1.454 6.315 579 HA TYR 71 HA TYR 71 -2.560 -0.590 8.579 580 HB2 TYR 71 HB2 TYR 71 -1.636 -2.237 6.222 581 HB3 TYR 71 HB1 TYR 71 -0.948 -2.167 7.836 582 HD1 TYR 71 HD1 TYR 71 -2.464 -3.050 9.782 583 HD2 TYR 71 HD2 TYR 71 -3.137 -3.854 5.685 584 HE1 TYR 71 HE1 TYR 71 -3.838 -5.001 10.397 585 HE2 TYR 71 HE2 TYR 71 -4.515 -5.802 6.270 586 HH TYR 71 HH TYR 71 -4.907 -7.266 7.997 587 H PHE 72 HN PHE 72 -2.715 -0.009 5.148 588 HA PHE 72 HA PHE 72 -0.247 1.318 4.871 589 HB2 PHE 72 HB2 PHE 72 -1.554 0.274 3.008 590 HB3 PHE 72 HB1 PHE 72 -2.710 1.591 3.138 591 HD1 PHE 72 HD2 PHE 72 0.983 1.144 2.817 592 HD2 PHE 72 HD1 PHE 72 -2.490 3.277 1.591 593 HE1 PHE 72 HE2 PHE 72 2.348 2.452 1.244 594 HE2 PHE 72 HE1 PHE 72 -1.122 4.587 0.010 595 HZ PHE 72 HZ PHE 72 1.294 4.171 -0.160 596 H ILE 73 HN ILE 73 -3.541 2.490 5.449 597 HA ILE 73 HA ILE 73 -3.044 5.256 5.390 598 HB ILE 73 HB ILE 73 -5.034 3.725 7.111 599 HG12 ILE 73 HG12 ILE 73 -5.445 5.173 4.488 600 HG13 ILE 73 HG11 ILE 73 -5.240 3.433 4.644 601 HG21 ILE 73 HG21 ILE 73 -6.275 5.823 7.335 602 HG22 ILE 73 HG22 ILE 73 -5.036 6.672 6.421 603 HG23 ILE 73 HG23 ILE 73 -4.650 5.999 8.007 604 HD11 ILE 73 HD11 ILE 73 -7.572 4.083 4.381 605 HD12 ILE 73 HD12 ILE 73 -7.469 5.044 5.860 606 HD13 ILE 73 HD13 ILE 73 -7.288 3.290 5.933 607 H ALA 74 HN ALA 74 -2.687 2.914 7.981 608 HA ALA 74 HA ALA 74 -2.009 4.705 10.055 609 HB1 ALA 74 HB1 ALA 74 -1.346 1.783 9.725 610 HB2 ALA 74 HB2 ALA 74 -2.804 2.435 10.475 611 HB3 ALA 74 HB3 ALA 74 -1.225 2.704 11.222 612 H ALA 75 HN ALA 75 -0.228 3.309 7.459 613 HA ALA 75 HA ALA 75 2.360 3.635 8.590 614 HB1 ALA 75 HB1 ALA 75 1.576 3.317 5.713 615 HB2 ALA 75 HB2 ALA 75 1.863 2.002 6.850 616 HB3 ALA 75 HB3 ALA 75 3.181 3.091 6.410 617 H LEU 76 HN LEU 76 0.610 5.474 5.960 618 HA LEU 76 HA LEU 76 2.522 7.430 5.779 619 HB2 LEU 76 HB2 LEU 76 -0.405 7.379 5.241 620 HB3 LEU 76 HB1 LEU 76 0.568 8.798 4.898 621 HG LEU 76 HG LEU 76 0.220 7.761 2.951 622 HD11 LEU 76 HD11 LEU 76 2.388 6.916 2.124 623 HD12 LEU 76 HD12 LEU 76 2.943 6.812 3.791 624 HD13 LEU 76 HD13 LEU 76 2.522 8.379 3.098 625 HD21 LEU 76 HD21 LEU 76 0.854 5.094 4.143 626 HD22 LEU 76 HD22 LEU 76 0.601 5.397 2.419 627 HD23 LEU 76 HD23 LEU 76 -0.699 5.705 3.561 628 H ARG 77 HN ARG 77 -0.339 7.231 7.892 629 HA ARG 77 HA ARG 77 0.187 9.826 8.954 630 HB2 ARG 77 HB2 ARG 77 -1.798 7.700 9.668 631 HB3 ARG 77 HB1 ARG 77 -1.490 9.033 10.806 632 HG2 ARG 77 HG2 ARG 77 -2.151 10.538 9.074 633 HG3 ARG 77 HG1 ARG 77 -2.320 9.188 7.949 634 HD2 ARG 77 HD2 ARG 77 -4.045 8.221 9.370 635 HD3 ARG 77 HD1 ARG 77 -3.870 9.578 10.494 636 HE ARG 77 HE ARG 77 -4.238 10.568 7.994 637 HH11 ARG 77 HH11 ARG 77 -6.127 8.612 10.277 638 HH12 ARG 77 HH12 ARG 77 -7.622 9.324 9.908 639 HH21 ARG 77 HH21 ARG 77 -6.435 11.632 7.495 640 HH22 ARG 77 HH22 ARG 77 -7.783 11.051 8.326 641 H GLY 78 HN GLY 78 1.291 6.664 9.762 642 HA2 GLY 78 HA2 GLY 78 2.201 7.300 12.362 643 HA3 GLY 78 HA1 GLY 78 2.731 5.950 11.368 644 H CYS 79 HN CYS 79 3.679 7.446 9.160 645 HA CYS 79 HA CYS 79 6.157 8.212 10.301 646 HB2 CYS 79 HB2 CYS 79 6.876 8.675 7.901 647 HB3 CYS 79 HB1 CYS 79 6.410 7.023 8.271 648 HG CYS 79 HG CYS 79 4.101 7.018 6.971 649 H GLU 80 HN GLU 80 4.302 10.119 7.918 650 HA GLU 80 HA GLU 80 3.979 12.441 9.508 651 HB2 GLU 80 HB2 GLU 80 5.759 13.883 8.533 652 HB3 GLU 80 HB1 GLU 80 6.389 12.595 9.547 653 HG2 GLU 80 HG2 GLU 80 6.880 11.290 7.524 654 HG3 GLU 80 HG1 GLU 80 6.353 12.651 6.540 655 H LEU 81 HN LEU 81 2.782 10.824 7.263 656 HA LEU 81 HA LEU 81 2.399 13.000 5.338 657 HB2 LEU 81 HB2 LEU 81 2.597 10.038 4.772 658 HB3 LEU 81 HB1 LEU 81 2.282 11.287 3.582 659 HG LEU 81 HG LEU 81 4.832 11.199 5.200 660 HD11 LEU 81 HD11 LEU 81 4.671 9.134 3.950 661 HD12 LEU 81 HD12 LEU 81 5.899 10.191 3.257 662 HD13 LEU 81 HD13 LEU 81 4.331 10.031 2.473 663 HD21 LEU 81 HD21 LEU 81 5.689 12.593 3.374 664 HD22 LEU 81 HD22 LEU 81 4.321 13.352 4.187 665 HD23 LEU 81 HD23 LEU 81 4.098 12.575 2.616 666 H VAL 82 HN VAL 82 0.541 13.571 6.467 667 HA VAL 82 HA VAL 82 -1.435 11.596 7.138 668 HB VAL 82 HB VAL 82 -1.606 14.617 7.344 669 HG11 VAL 82 HG11 VAL 82 -3.820 13.580 7.345 670 HG12 VAL 82 HG12 VAL 82 -3.428 14.222 8.939 671 HG13 VAL 82 HG13 VAL 82 -3.320 12.489 8.636 672 HG21 VAL 82 HG21 VAL 82 0.223 13.673 8.673 673 HG22 VAL 82 HG22 VAL 82 -0.910 12.563 9.441 674 HG23 VAL 82 HG23 VAL 82 -1.064 14.302 9.699 675 H ASP 83 HN ASP 83 -0.967 13.963 4.640 676 HA ASP 83 HA ASP 83 -3.662 13.954 3.709 677 HB2 ASP 83 HB2 ASP 83 -1.157 14.853 2.248 678 HB3 ASP 83 HB1 ASP 83 -2.808 15.159 1.729 679 H LEU 84 HN LEU 84 -0.750 12.266 2.744 680 HA LEU 84 HA LEU 84 -1.876 10.913 0.549 681 HB2 LEU 84 HB2 LEU 84 0.458 10.218 2.313 682 HB3 LEU 84 HB1 LEU 84 0.001 9.247 0.929 683 HG LEU 84 HG LEU 84 0.778 12.154 0.774 684 HD11 LEU 84 HD11 LEU 84 2.371 9.679 0.140 685 HD12 LEU 84 HD12 LEU 84 2.664 10.792 1.478 686 HD13 LEU 84 HD13 LEU 84 2.873 11.340 -0.183 687 HD21 LEU 84 HD21 LEU 84 -0.702 11.402 -1.032 688 HD22 LEU 84 HD22 LEU 84 0.405 10.064 -1.356 689 HD23 LEU 84 HD23 LEU 84 0.934 11.721 -1.618 690 H ALA 85 HN ALA 85 -1.837 10.206 3.945 691 HA ALA 85 HA ALA 85 -2.785 7.533 3.783 692 HB1 ALA 85 HB1 ALA 85 -3.227 7.720 6.129 693 HB2 ALA 85 HB2 ALA 85 -3.259 9.470 6.015 694 HB3 ALA 85 HB3 ALA 85 -1.734 8.623 5.809 695 H ASP 86 HN ASP 86 -4.335 10.646 4.193 696 HA ASP 86 HA ASP 86 -6.945 9.597 4.577 697 HB2 ASP 86 HB2 ASP 86 -6.257 11.763 5.457 698 HB3 ASP 86 HB1 ASP 86 -6.104 12.381 3.824 699 H GLU 87 HN GLU 87 -5.173 10.740 1.779 700 HA GLU 87 HA GLU 87 -7.471 10.835 0.140 701 HB2 GLU 87 HB2 GLU 87 -6.026 11.095 -1.783 702 HB3 GLU 87 HB1 GLU 87 -5.357 11.986 -0.429 703 HG2 GLU 87 HG2 GLU 87 -3.690 10.347 -0.073 704 HG3 GLU 87 HG1 GLU 87 -4.367 9.331 -1.348 705 H VAL 88 HN VAL 88 -5.270 8.250 0.920 706 HA VAL 88 HA VAL 88 -6.403 6.381 -0.923 707 HB VAL 88 HB VAL 88 -4.974 5.797 1.701 708 HG11 VAL 88 HG11 VAL 88 -4.514 3.591 0.747 709 HG12 VAL 88 HG12 VAL 88 -5.399 4.035 -0.711 710 HG13 VAL 88 HG13 VAL 88 -6.253 3.895 0.825 711 HG21 VAL 88 HG21 VAL 88 -2.975 5.480 0.334 712 HG22 VAL 88 HG22 VAL 88 -3.593 7.130 0.210 713 HG23 VAL 88 HG23 VAL 88 -3.873 5.980 -1.099 714 H ALA 89 HN ALA 89 -7.019 7.257 2.414 715 HA ALA 89 HA ALA 89 -8.976 5.348 3.034 716 HB1 ALA 89 HB1 ALA 89 -7.864 6.780 4.698 717 HB2 ALA 89 HB2 ALA 89 -9.620 6.829 4.836 718 HB3 ALA 89 HB3 ALA 89 -8.754 8.167 4.072 719 H SER 90 HN SER 90 -9.187 8.490 1.470 720 HA SER 90 HA SER 90 -11.965 8.717 1.372 721 HB2 SER 90 HB2 SER 90 -9.866 9.813 -0.494 722 HB3 SER 90 HB1 SER 90 -11.552 10.341 -0.460 723 HG SER 90 HG SER 90 -10.398 10.336 1.997 724 H VAL 91 HN VAL 91 -9.876 6.633 -0.390 725 HA VAL 91 HA VAL 91 -11.777 6.184 -2.533 726 HB VAL 91 HB VAL 91 -9.347 4.526 -1.811 727 HG11 VAL 91 HG11 VAL 91 -9.433 3.805 -4.164 728 HG12 VAL 91 HG12 VAL 91 -10.927 4.718 -4.370 729 HG13 VAL 91 HG13 VAL 91 -10.875 3.350 -3.255 730 HG21 VAL 91 HG21 VAL 91 -8.651 6.823 -2.240 731 HG22 VAL 91 HG22 VAL 91 -9.516 6.806 -3.780 732 HG23 VAL 91 HG23 VAL 91 -8.124 5.755 -3.539 733 H TYR 92 HN TYR 92 -10.325 4.276 0.065 734 HA TYR 92 HA TYR 92 -11.958 2.019 -0.307 735 HB2 TYR 92 HB2 TYR 92 -9.694 2.037 0.691 736 HB3 TYR 92 HB1 TYR 92 -10.359 2.768 2.142 737 HD1 TYR 92 HD1 TYR 92 -10.486 -0.295 0.018 738 HD2 TYR 92 HD2 TYR 92 -11.221 1.371 3.869 739 HE1 TYR 92 HE1 TYR 92 -10.818 -2.566 0.934 740 HE2 TYR 92 HE2 TYR 92 -11.577 -0.887 4.779 741 HH TYR 92 HH TYR 92 -10.905 -3.777 2.875 742 H GLN 93 HN GLN 93 -12.548 4.927 1.472 743 HA GLN 93 HA GLN 93 -14.454 3.907 3.300 744 HB2 GLN 93 HB2 GLN 93 -15.281 6.206 3.527 745 HB3 GLN 93 HB1 GLN 93 -13.525 6.173 3.548 746 HG2 GLN 93 HG2 GLN 93 -13.490 6.881 1.204 747 HG3 GLN 93 HG1 GLN 93 -15.246 6.915 1.191 748 HE21 GLN 93 HE21 GLN 93 -13.278 8.023 3.903 749 HE22 GLN 93 HE22 GLN 93 -13.704 9.670 3.728 750 H SER 94 HN SER 94 -14.660 4.649 -0.082 751 HA SER 94 HA SER 94 -17.552 4.543 -0.108 752 HB2 SER 94 HB2 SER 94 -15.573 4.852 -2.371 753 HB3 SER 94 HB1 SER 94 -17.311 5.142 -2.448 754 HG SER 94 HG SER 94 -16.720 6.683 -0.573 755 H TYR 95 HN TYR 95 -15.150 2.289 0.048 756 HA TYR 95 HA TYR 95 -16.681 0.200 -1.339 757 HB2 TYR 95 HB2 TYR 95 -13.673 0.581 -1.491 758 HB3 TYR 95 HB1 TYR 95 -14.620 -0.724 -2.181 759 HD1 TYR 95 HD1 TYR 95 -16.150 -0.236 -4.128 760 HD2 TYR 95 HD2 TYR 95 -13.377 2.625 -2.647 761 HE1 TYR 95 HE1 TYR 95 -16.369 1.057 -6.210 762 HE2 TYR 95 HE2 TYR 95 -13.585 3.918 -4.722 763 HH TYR 95 HH TYR 95 -14.243 3.607 -7.020 764 H GLN 96 HN GLN 96 -17.522 -0.325 0.680 765 HA GLN 96 HA GLN 96 -15.573 -1.824 2.240 766 HB2 GLN 96 HB2 GLN 96 -17.635 0.020 3.463 767 HB3 GLN 96 HB1 GLN 96 -16.673 -1.147 4.352 768 HG2 GLN 96 HG2 GLN 96 -14.638 0.040 3.657 769 HG3 GLN 96 HG1 GLN 96 -15.638 1.228 2.835 770 HE21 GLN 96 HE21 GLN 96 -16.486 -0.219 5.905 771 HE22 GLN 96 HE22 GLN 96 -16.297 1.195 6.855 772 HA PRO 97 HA PRO 97 -19.162 -4.589 1.641 773 HB2 PRO 97 HB2 PRO 97 -17.757 -6.831 1.257 774 HB3 PRO 97 HB1 PRO 97 -17.888 -5.642 -0.048 775 HG2 PRO 97 HG2 PRO 97 -15.698 -5.990 1.962 776 HG3 PRO 97 HG1 PRO 97 -15.513 -5.900 0.217 777 HD2 PRO 97 HD2 PRO 97 -15.131 -3.746 1.789 778 HD3 PRO 97 HD1 PRO 97 -15.906 -3.557 0.209 779 H ARG 98 HN ARG 98 -16.580 -4.233 3.783 780 HA ARG 98 HA ARG 98 -17.672 -6.140 5.721 781 HB2 ARG 98 HB2 ARG 98 -14.847 -5.123 5.367 782 HB3 ARG 98 HB1 ARG 98 -15.392 -6.215 6.625 783 HG2 ARG 98 HG2 ARG 98 -15.562 -6.888 3.688 784 HG3 ARG 98 HG1 ARG 98 -14.182 -7.279 4.709 785 HD2 ARG 98 HD2 ARG 98 -17.012 -8.165 5.264 786 HD3 ARG 98 HD1 ARG 98 -15.800 -9.160 4.457 787 HE ARG 98 HE ARG 98 -14.489 -9.070 6.481 788 HH11 ARG 98 HH11 ARG 98 -17.969 -8.342 6.808 789 HH12 ARG 98 HH12 ARG 98 -17.946 -8.507 8.509 790 HH21 ARG 98 HH21 ARG 98 -14.569 -9.430 8.806 791 HH22 ARG 98 HH22 ARG 98 -16.043 -9.216 9.638 792 H THR 99 HN THR 99 -18.891 -4.876 7.062 793 HA THR 99 HA THR 99 -17.624 -2.427 8.026 794 HB THR 99 HB THR 99 -19.978 -1.740 8.674 795 HG1 THR 99 HG1 THR 99 -21.457 -3.152 8.416 796 HG21 THR 99 HG21 THR 99 -20.605 -1.045 6.397 797 HG22 THR 99 HG22 THR 99 -19.445 -2.189 5.728 798 HG23 THR 99 HG23 THR 99 -18.881 -0.816 6.682 799 H SER 100 HN SER 100 -19.402 -5.334 8.921 800 HA SER 100 HA SER 100 -17.998 -5.435 11.375 801 HB2 SER 100 HB2 SER 100 -20.209 -5.755 12.671 802 HB3 SER 100 HB1 SER 100 -19.770 -4.107 12.241 803 HG SER 100 HG SER 100 -21.748 -5.781 11.177 Start of MODEL 6 1 H1 GLY -1 HT1 GLY -1 -11.131 -7.351 2.333 2 H2 GLY -1 HT2 GLY -1 -11.020 -7.492 3.982 3 H3 GLY -1 HT3 GLY -1 -12.464 -6.898 3.300 4 HA2 GLY -1 HA1 GLY -1 -12.736 -9.151 4.056 5 HA3 GLY -1 HA2 GLY -1 -12.810 -9.074 2.297 6 H SER 0 HN SER 0 -12.291 -11.456 3.114 7 HA SER 0 HA SER 0 -9.454 -11.962 3.463 8 HB2 SER 0 HB2 SER 0 -11.788 -13.851 3.047 9 HB3 SER 0 HB1 SER 0 -10.177 -14.295 3.616 10 HG SER 0 HG SER 0 -11.302 -12.289 5.072 11 H MET 1 HN MET 1 -10.150 -10.561 1.047 12 HA MET 1 HA MET 1 -8.842 -11.602 -0.855 13 HB2 MET 1 HB2 MET 1 -10.551 -12.261 -2.584 14 HB3 MET 1 HB1 MET 1 -10.503 -13.390 -1.249 15 HG2 MET 1 HG2 MET 1 -12.550 -12.458 -0.350 16 HG3 MET 1 HG1 MET 1 -12.572 -11.227 -1.612 17 HE1 MET 1 HE1 MET 1 -12.869 -15.071 -0.824 18 HE2 MET 1 HE2 MET 1 -11.585 -15.054 -2.034 19 HE3 MET 1 HE3 MET 1 -13.159 -15.746 -2.424 20 HA PRO 2 HA PRO 2 -9.637 -7.200 -0.922 21 HB2 PRO 2 HB2 PRO 2 -8.164 -6.683 -3.190 22 HB3 PRO 2 HB1 PRO 2 -7.507 -6.908 -1.553 23 HG2 PRO 2 HG2 PRO 2 -7.787 -8.953 -3.727 24 HG3 PRO 2 HG1 PRO 2 -6.356 -8.562 -2.745 25 HD2 PRO 2 HD2 PRO 2 -7.874 -10.637 -2.019 26 HD3 PRO 2 HD1 PRO 2 -7.317 -9.480 -0.794 27 H PHE 3 HN PHE 3 -11.561 -6.646 -1.422 28 HA PHE 3 HA PHE 3 -12.505 -6.879 -4.213 29 HB2 PHE 3 HB2 PHE 3 -13.935 -8.177 -2.658 30 HB3 PHE 3 HB1 PHE 3 -14.111 -6.730 -1.659 31 HD1 PHE 3 HD2 PHE 3 -14.842 -8.047 -5.058 32 HD2 PHE 3 HD1 PHE 3 -15.849 -5.235 -2.026 33 HE1 PHE 3 HE2 PHE 3 -16.810 -7.348 -6.357 34 HE2 PHE 3 HE1 PHE 3 -17.812 -4.531 -3.320 35 HZ PHE 3 HZ PHE 3 -18.292 -5.585 -5.490 36 H ALA 4 HN ALA 4 -12.592 -5.001 -1.254 37 HA ALA 4 HA ALA 4 -13.343 -2.633 -2.747 38 HB1 ALA 4 HB1 ALA 4 -13.631 -1.626 -0.501 39 HB2 ALA 4 HB2 ALA 4 -13.052 -3.125 0.227 40 HB3 ALA 4 HB3 ALA 4 -14.558 -3.102 -0.693 41 H GLU 5 HN GLU 5 -10.877 -4.121 -0.848 42 HA GLU 5 HA GLU 5 -8.965 -2.054 -0.718 43 HB2 GLU 5 HB2 GLU 5 -8.311 -4.998 -0.817 44 HB3 GLU 5 HB1 GLU 5 -7.478 -3.736 0.068 45 HG2 GLU 5 HG2 GLU 5 -8.541 -4.783 1.794 46 HG3 GLU 5 HG1 GLU 5 -9.791 -3.619 1.364 47 H ASP 6 HN ASP 6 -9.936 -4.336 -3.045 48 HA ASP 6 HA ASP 6 -7.749 -4.472 -4.830 49 HB2 ASP 6 HB2 ASP 6 -9.591 -6.043 -4.964 50 HB3 ASP 6 HB1 ASP 6 -10.728 -4.741 -5.264 51 H LYS 7 HN LYS 7 -10.440 -2.290 -4.476 52 HA LYS 7 HA LYS 7 -10.004 -0.926 -6.960 53 HB2 LYS 7 HB2 LYS 7 -11.669 0.031 -4.641 54 HB3 LYS 7 HB1 LYS 7 -11.835 0.464 -6.339 55 HG2 LYS 7 HG2 LYS 7 -12.429 -2.192 -5.064 56 HG3 LYS 7 HG1 LYS 7 -13.573 -1.062 -5.791 57 HD2 LYS 7 HD2 LYS 7 -12.654 -1.451 -7.969 58 HD3 LYS 7 HD1 LYS 7 -11.350 -2.423 -7.291 59 HE2 LYS 7 HE2 LYS 7 -13.060 -3.950 -6.389 60 HE3 LYS 7 HE1 LYS 7 -14.272 -3.054 -7.312 61 HZ1 LYS 7 HZ1 LYS 7 -12.949 -3.611 -9.342 62 HZ2 LYS 7 HZ2 LYS 7 -13.432 -5.018 -8.550 63 HZ3 LYS 7 HZ3 LYS 7 -11.860 -4.427 -8.356 64 H THR 8 HN THR 8 -9.029 -0.549 -3.668 65 HA THR 8 HA THR 8 -8.038 2.064 -3.859 66 HB THR 8 HB THR 8 -6.947 -0.190 -2.155 67 HG1 THR 8 HG1 THR 8 -9.372 1.258 -2.017 68 HG21 THR 8 HG21 THR 8 -7.183 2.793 -1.701 69 HG22 THR 8 HG22 THR 8 -5.699 1.936 -2.114 70 HG23 THR 8 HG23 THR 8 -6.494 1.628 -0.569 71 H TYR 9 HN TYR 9 -6.588 -1.168 -4.314 72 HA TYR 9 HA TYR 9 -4.000 -0.413 -4.996 73 HB2 TYR 9 HB2 TYR 9 -4.456 -2.734 -4.557 74 HB3 TYR 9 HB1 TYR 9 -5.649 -2.807 -5.845 75 HD1 TYR 9 HD2 TYR 9 -1.996 -2.499 -5.183 76 HD2 TYR 9 HD1 TYR 9 -5.006 -3.386 -8.050 77 HE1 TYR 9 HE2 TYR 9 -0.267 -3.322 -6.757 78 HE2 TYR 9 HE1 TYR 9 -3.297 -4.205 -9.611 79 HH TYR 9 HH TYR 9 -0.037 -4.728 -8.651 80 H LYS 10 HN LYS 10 -6.767 -1.011 -7.128 81 HA LYS 10 HA LYS 10 -5.502 -0.476 -9.568 82 HB2 LYS 10 HB2 LYS 10 -8.400 -0.026 -8.852 83 HB3 LYS 10 HB1 LYS 10 -7.760 -0.116 -10.481 84 HG2 LYS 10 HG2 LYS 10 -7.813 -2.350 -8.454 85 HG3 LYS 10 HG1 LYS 10 -8.861 -2.186 -9.859 86 HD2 LYS 10 HD2 LYS 10 -5.864 -2.602 -9.888 87 HD3 LYS 10 HD1 LYS 10 -7.088 -3.804 -10.283 88 HE2 LYS 10 HE2 LYS 10 -7.842 -2.303 -12.143 89 HE3 LYS 10 HE1 LYS 10 -6.460 -1.272 -11.790 90 HZ1 LYS 10 HZ1 LYS 10 -4.998 -3.151 -12.246 91 HZ2 LYS 10 HZ2 LYS 10 -5.961 -2.791 -13.577 92 HZ3 LYS 10 HZ3 LYS 10 -6.334 -4.114 -12.602 93 H TYR 11 HN TYR 11 -7.056 1.663 -7.292 94 HA TYR 11 HA TYR 11 -7.161 3.998 -8.896 95 HB2 TYR 11 HB2 TYR 11 -8.342 3.391 -6.622 96 HB3 TYR 11 HB1 TYR 11 -6.867 3.984 -5.933 97 HD1 TYR 11 HD1 TYR 11 -9.796 4.984 -7.891 98 HD2 TYR 11 HD2 TYR 11 -6.333 6.308 -5.821 99 HE1 TYR 11 HE1 TYR 11 -10.653 7.278 -7.948 100 HE2 TYR 11 HE2 TYR 11 -7.174 8.608 -5.875 101 HH TYR 11 HH TYR 11 -8.736 9.991 -7.046 102 H ILE 12 HN ILE 12 -4.940 2.822 -6.423 103 HA ILE 12 HA ILE 12 -3.244 5.097 -6.495 104 HB ILE 12 HB ILE 12 -2.733 2.325 -5.355 105 HG12 ILE 12 HG12 ILE 12 -4.733 3.382 -4.410 106 HG13 ILE 12 HG11 ILE 12 -3.451 3.266 -3.195 107 HG21 ILE 12 HG21 ILE 12 -1.331 4.924 -4.758 108 HG22 ILE 12 HG22 ILE 12 -0.648 3.544 -5.623 109 HG23 ILE 12 HG23 ILE 12 -1.070 3.399 -3.913 110 HD11 ILE 12 HD11 ILE 12 -4.620 5.364 -3.012 111 HD12 ILE 12 HD12 ILE 12 -4.346 5.712 -4.713 112 HD13 ILE 12 HD13 ILE 12 -2.981 5.675 -3.591 113 H CYS 13 HN CYS 13 -3.371 2.224 -8.401 114 HA CYS 13 HA CYS 13 -0.746 2.354 -9.436 115 HB2 CYS 13 HB2 CYS 13 -3.271 1.308 -10.731 116 HB3 CYS 13 HB1 CYS 13 -1.646 1.058 -11.362 117 HG CYS 13 HG CYS 13 -2.727 -0.015 -8.321 118 H ARG 14 HN ARG 14 -3.586 4.197 -10.040 119 HA ARG 14 HA ARG 14 -2.798 5.394 -12.525 120 HB2 ARG 14 HB2 ARG 14 -4.660 6.386 -10.374 121 HB3 ARG 14 HB1 ARG 14 -4.461 7.113 -11.956 122 HG2 ARG 14 HG2 ARG 14 -5.431 5.176 -13.004 123 HG3 ARG 14 HG1 ARG 14 -5.452 4.358 -11.424 124 HD2 ARG 14 HD2 ARG 14 -7.656 5.365 -12.156 125 HD3 ARG 14 HD1 ARG 14 -7.080 5.809 -10.554 126 HE ARG 14 HE ARG 14 -6.172 7.707 -12.401 127 HH11 ARG 14 HH11 ARG 14 -9.320 6.658 -11.169 128 HH12 ARG 14 HH12 ARG 14 -9.966 8.236 -11.085 129 HH21 ARG 14 HH21 ARG 14 -7.073 9.879 -12.244 130 HH22 ARG 14 HH22 ARG 14 -8.674 10.082 -11.707 131 H ASN 15 HN ASN 15 -2.846 6.426 -9.163 132 HA ASN 15 HA ASN 15 -1.256 8.792 -9.806 133 HB2 ASN 15 HB2 ASN 15 -1.989 9.690 -7.650 134 HB3 ASN 15 HB1 ASN 15 -3.370 9.020 -8.513 135 HD21 ASN 15 HD21 ASN 15 -4.375 7.181 -7.791 136 HD22 ASN 15 HD22 ASN 15 -4.045 6.593 -6.198 137 H PHE 16 HN PHE 16 -0.253 6.153 -9.699 138 HA PHE 16 HA PHE 16 1.377 5.412 -7.615 139 HB2 PHE 16 HB2 PHE 16 1.102 4.231 -9.808 140 HB3 PHE 16 HB1 PHE 16 2.201 5.392 -10.529 141 HD1 PHE 16 HD2 PHE 16 1.937 2.712 -8.001 142 HD2 PHE 16 HD1 PHE 16 4.516 5.061 -10.423 143 HE1 PHE 16 HE2 PHE 16 3.814 1.231 -7.423 144 HE2 PHE 16 HE1 PHE 16 6.405 3.588 -9.854 145 HZ PHE 16 HZ PHE 16 6.056 1.670 -8.349 146 H SER 17 HN SER 17 1.973 8.046 -9.901 147 HA SER 17 HA SER 17 4.596 8.728 -9.137 148 HB2 SER 17 HB2 SER 17 2.428 10.477 -10.288 149 HB3 SER 17 HB1 SER 17 4.163 10.778 -10.348 150 HG SER 17 HG SER 17 3.892 9.836 -12.183 151 H ASN 18 HN ASN 18 1.582 9.232 -7.593 152 HA ASN 18 HA ASN 18 2.191 11.626 -6.119 153 HB2 ASN 18 HB2 ASN 18 -0.104 11.020 -6.686 154 HB3 ASN 18 HB1 ASN 18 0.062 9.488 -5.862 155 HD21 ASN 18 HD21 ASN 18 -1.629 9.793 -4.564 156 HD22 ASN 18 HD22 ASN 18 -1.696 10.955 -3.294 157 H PHE 19 HN PHE 19 2.879 8.273 -5.847 158 HA PHE 19 HA PHE 19 3.487 8.512 -3.011 159 HB2 PHE 19 HB2 PHE 19 2.950 6.143 -4.785 160 HB3 PHE 19 HB1 PHE 19 3.691 5.988 -3.200 161 HD1 PHE 19 HD1 PHE 19 0.677 7.449 -4.838 162 HD2 PHE 19 HD2 PHE 19 2.373 5.662 -1.381 163 HE1 PHE 19 HE1 PHE 19 -1.540 7.395 -3.781 164 HE2 PHE 19 HE2 PHE 19 0.171 5.608 -0.317 165 HZ PHE 19 HZ PHE 19 -1.798 6.476 -1.514 166 H CYS 20 HN CYS 20 5.127 9.267 -5.619 167 HA CYS 20 HA CYS 20 7.395 7.615 -5.566 168 HB2 CYS 20 HB2 CYS 20 7.012 10.426 -6.568 169 HB3 CYS 20 HB1 CYS 20 8.502 9.516 -6.776 170 HG CYS 20 HG CYS 20 6.297 7.504 -7.890 171 H ASN 21 HN ASN 21 6.400 10.064 -3.406 172 HA ASN 21 HA ASN 21 9.038 9.822 -2.135 173 HB2 ASN 21 HB2 ASN 21 8.442 12.168 -2.939 174 HB3 ASN 21 HB1 ASN 21 7.167 12.152 -1.718 175 HD21 ASN 21 HD21 ASN 21 7.765 12.119 0.471 176 HD22 ASN 21 HD22 ASN 21 9.362 12.545 0.969 177 H VAL 22 HN VAL 22 7.861 7.812 -1.513 178 HA VAL 22 HA VAL 22 6.604 8.408 1.055 179 HB VAL 22 HB VAL 22 5.006 7.229 -0.689 180 HG11 VAL 22 HG11 VAL 22 6.662 4.873 -0.065 181 HG12 VAL 22 HG12 VAL 22 6.428 5.715 -1.606 182 HG13 VAL 22 HG13 VAL 22 5.067 4.888 -0.845 183 HG21 VAL 22 HG21 VAL 22 4.387 7.390 1.631 184 HG22 VAL 22 HG22 VAL 22 5.440 6.047 2.030 185 HG23 VAL 22 HG23 VAL 22 4.002 5.773 1.033 186 H ASP 23 HN ASP 23 7.318 7.248 2.791 187 HA ASP 23 HA ASP 23 9.959 6.100 2.400 188 HB2 ASP 23 HB2 ASP 23 9.305 7.859 4.180 189 HB3 ASP 23 HB1 ASP 23 8.568 6.509 5.033 190 H VAL 24 HN VAL 24 9.670 4.084 1.672 191 HA VAL 24 HA VAL 24 7.436 2.496 2.398 192 HB VAL 24 HB VAL 24 9.907 1.429 1.019 193 HG11 VAL 24 HG11 VAL 24 8.249 -0.252 1.633 194 HG12 VAL 24 HG12 VAL 24 8.286 -0.012 -0.128 195 HG13 VAL 24 HG13 VAL 24 7.001 0.706 0.819 196 HG21 VAL 24 HG21 VAL 24 7.604 2.902 -0.251 197 HG22 VAL 24 HG22 VAL 24 8.890 2.080 -1.117 198 HG23 VAL 24 HG23 VAL 24 9.262 3.497 -0.125 199 H VAL 25 HN VAL 25 10.705 2.640 3.592 200 HA VAL 25 HA VAL 25 10.520 0.164 4.997 201 HB VAL 25 HB VAL 25 12.526 0.928 6.308 202 HG11 VAL 25 HG11 VAL 25 14.068 0.742 4.375 203 HG12 VAL 25 HG12 VAL 25 12.675 0.958 3.304 204 HG13 VAL 25 HG13 VAL 25 12.766 -0.447 4.370 205 HG21 VAL 25 HG21 VAL 25 12.447 3.257 4.395 206 HG22 VAL 25 HG22 VAL 25 13.773 2.871 5.496 207 HG23 VAL 25 HG23 VAL 25 12.192 3.329 6.137 208 H GLU 26 HN GLU 26 9.657 3.419 5.814 209 HA GLU 26 HA GLU 26 9.331 2.858 8.587 210 HB2 GLU 26 HB2 GLU 26 9.522 5.165 7.270 211 HB3 GLU 26 HB1 GLU 26 7.772 5.019 7.249 212 HG2 GLU 26 HG2 GLU 26 8.525 6.355 9.132 213 HG3 GLU 26 HG1 GLU 26 7.737 4.870 9.677 214 H ILE 27 HN ILE 27 7.369 2.647 5.757 215 HA ILE 27 HA ILE 27 4.772 2.193 6.866 216 HB ILE 27 HB ILE 27 6.087 1.386 4.261 217 HG12 ILE 27 HG12 ILE 27 4.083 3.565 4.871 218 HG13 ILE 27 HG11 ILE 27 5.799 3.780 4.545 219 HG21 ILE 27 HG21 ILE 27 3.172 1.080 4.929 220 HG22 ILE 27 HG22 ILE 27 4.332 -0.216 4.647 221 HG23 ILE 27 HG23 ILE 27 3.891 0.871 3.333 222 HD11 ILE 27 HD11 ILE 27 4.404 4.328 2.626 223 HD12 ILE 27 HD12 ILE 27 3.782 2.677 2.602 224 HD13 ILE 27 HD13 ILE 27 5.489 2.984 2.282 225 H LEU 28 HN LEU 28 7.444 0.024 6.229 226 HA LEU 28 HA LEU 28 6.087 -2.364 6.265 227 HB2 LEU 28 HB2 LEU 28 8.905 -1.881 7.223 228 HB3 LEU 28 HB1 LEU 28 8.224 -3.458 6.878 229 HG LEU 28 HG LEU 28 8.547 -1.245 4.859 230 HD11 LEU 28 HD11 LEU 28 10.364 -2.597 3.976 231 HD12 LEU 28 HD12 LEU 28 10.177 -3.731 5.313 232 HD13 LEU 28 HD13 LEU 28 10.694 -2.073 5.626 233 HD21 LEU 28 HD21 LEU 28 7.782 -4.146 4.556 234 HD22 LEU 28 HD22 LEU 28 8.078 -3.017 3.236 235 HD23 LEU 28 HD23 LEU 28 6.716 -2.759 4.321 236 HA PRO 29 HA PRO 29 6.522 -2.992 11.094 237 HB2 PRO 29 HB2 PRO 29 6.834 -0.219 12.085 238 HB3 PRO 29 HB1 PRO 29 7.643 -1.695 12.620 239 HG2 PRO 29 HG2 PRO 29 8.974 0.119 11.219 240 HG3 PRO 29 HG1 PRO 29 9.214 -1.610 10.912 241 HD2 PRO 29 HD2 PRO 29 7.565 0.365 9.364 242 HD3 PRO 29 HD1 PRO 29 8.696 -0.862 8.778 243 H TYR 30 HN TYR 30 4.876 -0.541 9.424 244 HA TYR 30 HA TYR 30 2.708 -0.315 11.330 245 HB2 TYR 30 HB2 TYR 30 3.442 0.946 8.751 246 HB3 TYR 30 HB1 TYR 30 1.784 1.103 9.206 247 HD1 TYR 30 HD1 TYR 30 1.444 2.078 11.668 248 HD2 TYR 30 HD2 TYR 30 4.984 2.481 9.369 249 HE1 TYR 30 HE1 TYR 30 2.076 4.047 12.992 250 HE2 TYR 30 HE2 TYR 30 5.629 4.443 10.688 251 HH TYR 30 HH TYR 30 4.630 6.128 12.062 252 H LEU 31 HN LEU 31 3.640 -2.215 8.646 253 HA LEU 31 HA LEU 31 0.944 -3.332 8.427 254 HB2 LEU 31 HB2 LEU 31 3.133 -3.088 6.374 255 HB3 LEU 31 HB1 LEU 31 1.767 -4.150 6.186 256 HG LEU 31 HG LEU 31 0.262 -2.155 6.065 257 HD11 LEU 31 HD11 LEU 31 2.750 -0.564 6.269 258 HD12 LEU 31 HD12 LEU 31 1.423 -0.629 7.433 259 HD13 LEU 31 HD13 LEU 31 1.149 0.013 5.807 260 HD21 LEU 31 HD21 LEU 31 1.064 -1.368 3.906 261 HD22 LEU 31 HD22 LEU 31 1.201 -3.126 4.057 262 HD23 LEU 31 HD23 LEU 31 2.632 -2.109 4.259 263 HA PRO 32 HA PRO 32 3.770 -6.686 9.962 264 HB2 PRO 32 HB2 PRO 32 1.730 -7.283 11.945 265 HB3 PRO 32 HB1 PRO 32 3.392 -6.748 12.208 266 HG2 PRO 32 HG2 PRO 32 1.262 -5.177 12.781 267 HG3 PRO 32 HG1 PRO 32 2.805 -4.515 12.222 268 HD2 PRO 32 HD2 PRO 32 0.320 -5.077 10.627 269 HD3 PRO 32 HD1 PRO 32 1.337 -3.614 10.642 270 H CYS 33 HN CYS 33 1.033 -6.512 8.297 271 HA CYS 33 HA CYS 33 0.099 -9.223 8.575 272 HB2 CYS 33 HB2 CYS 33 -1.426 -8.541 6.658 273 HB3 CYS 33 HB1 CYS 33 -1.588 -7.625 8.157 274 HG CYS 33 HG CYS 33 -1.784 -6.113 5.665 275 H LEU 34 HN LEU 34 2.648 -7.835 7.073 276 HA LEU 34 HA LEU 34 2.687 -9.645 4.786 277 HB2 LEU 34 HB2 LEU 34 4.536 -7.447 5.613 278 HB3 LEU 34 HB1 LEU 34 4.861 -8.560 4.294 279 HG LEU 34 HG LEU 34 2.627 -7.779 3.333 280 HD11 LEU 34 HD11 LEU 34 1.755 -6.609 5.246 281 HD12 LEU 34 HD12 LEU 34 1.955 -5.515 3.877 282 HD13 LEU 34 HD13 LEU 34 3.117 -5.491 5.204 283 HD21 LEU 34 HD21 LEU 34 3.713 -5.912 2.247 284 HD22 LEU 34 HD22 LEU 34 4.685 -7.389 2.419 285 HD23 LEU 34 HD23 LEU 34 5.010 -6.001 3.473 286 H THR 35 HN THR 35 4.439 -11.107 4.465 287 HA THR 35 HA THR 35 5.223 -12.443 6.814 288 HB THR 35 HB THR 35 6.636 -13.615 4.834 289 HG1 THR 35 HG1 THR 35 5.824 -13.222 2.917 290 HG21 THR 35 HG21 THR 35 4.705 -15.083 4.493 291 HG22 THR 35 HG22 THR 35 3.651 -13.878 5.237 292 HG23 THR 35 HG23 THR 35 4.889 -14.690 6.201 293 H ALA 36 HN ALA 36 7.518 -13.031 7.267 294 HA ALA 36 HA ALA 36 9.026 -10.789 7.906 295 HB1 ALA 36 HB1 ALA 36 9.191 -12.951 9.064 296 HB2 ALA 36 HB2 ALA 36 10.774 -12.348 8.576 297 HB3 ALA 36 HB3 ALA 36 9.998 -13.636 7.656 298 H ARG 37 HN ARG 37 9.624 -13.166 5.318 299 HA ARG 37 HA ARG 37 11.885 -11.930 4.246 300 HB2 ARG 37 HB2 ARG 37 9.837 -13.758 3.044 301 HB3 ARG 37 HB1 ARG 37 11.289 -13.235 2.223 302 HG2 ARG 37 HG2 ARG 37 12.636 -14.333 3.958 303 HG3 ARG 37 HG1 ARG 37 11.144 -14.903 4.726 304 HD2 ARG 37 HD2 ARG 37 10.533 -16.088 2.707 305 HD3 ARG 37 HD1 ARG 37 11.953 -15.440 1.896 306 HE ARG 37 HE ARG 37 12.583 -16.937 4.231 307 HH11 ARG 37 HH11 ARG 37 11.841 -17.102 0.775 308 HH12 ARG 37 HH12 ARG 37 12.597 -18.589 0.491 309 HH21 ARG 37 HH21 ARG 37 13.670 -19.055 3.862 310 HH22 ARG 37 HH22 ARG 37 13.670 -19.722 2.303 311 H ASP 38 HN ASP 38 8.476 -11.482 3.764 312 HA ASP 38 HA ASP 38 8.619 -10.205 1.231 313 HB2 ASP 38 HB2 ASP 38 6.586 -11.332 2.359 314 HB3 ASP 38 HB1 ASP 38 6.443 -9.838 3.243 315 H GLN 39 HN GLN 39 8.181 -9.004 4.529 316 HA GLN 39 HA GLN 39 8.325 -6.253 3.978 317 HB2 GLN 39 HB2 GLN 39 9.100 -7.835 6.432 318 HB3 GLN 39 HB1 GLN 39 9.035 -6.080 6.384 319 HG2 GLN 39 HG2 GLN 39 6.655 -6.149 5.963 320 HG3 GLN 39 HG1 GLN 39 6.707 -7.903 5.858 321 HE21 GLN 39 HE21 GLN 39 5.248 -6.051 7.757 322 HE22 GLN 39 HE22 GLN 39 5.731 -6.612 9.308 323 H ASP 40 HN ASP 40 10.757 -8.678 4.589 324 HA ASP 40 HA ASP 40 13.014 -7.003 4.848 325 HB2 ASP 40 HB2 ASP 40 12.957 -9.364 5.554 326 HB3 ASP 40 HB1 ASP 40 12.880 -9.847 3.871 327 H ARG 41 HN ARG 41 11.665 -8.696 2.090 328 HA ARG 41 HA ARG 41 13.438 -8.054 0.026 329 HB2 ARG 41 HB2 ARG 41 10.410 -8.086 -0.118 330 HB3 ARG 41 HB1 ARG 41 11.469 -8.071 -1.512 331 HG2 ARG 41 HG2 ARG 41 12.250 -10.268 -1.033 332 HG3 ARG 41 HG1 ARG 41 11.456 -10.266 0.544 333 HD2 ARG 41 HD2 ARG 41 10.122 -11.561 -1.025 334 HD3 ARG 41 HD1 ARG 41 9.266 -10.085 -0.592 335 HE ARG 41 HE ARG 41 10.841 -10.156 -3.036 336 HH11 ARG 41 HH11 ARG 41 7.584 -9.830 -1.493 337 HH12 ARG 41 HH12 ARG 41 6.806 -9.593 -2.959 338 HH21 ARG 41 HH21 ARG 41 9.703 -9.789 -5.023 339 HH22 ARG 41 HH22 ARG 41 8.015 -9.586 -5.030 340 H LEU 42 HN LEU 42 10.693 -6.244 1.215 341 HA LEU 42 HA LEU 42 10.981 -4.029 -0.504 342 HB2 LEU 42 HB2 LEU 42 9.521 -4.303 2.112 343 HB3 LEU 42 HB1 LEU 42 9.312 -2.986 0.971 344 HG LEU 42 HG LEU 42 8.691 -5.885 0.380 345 HD11 LEU 42 HD11 LEU 42 7.162 -4.998 2.034 346 HD12 LEU 42 HD12 LEU 42 6.355 -5.215 0.482 347 HD13 LEU 42 HD13 LEU 42 6.840 -3.601 1.007 348 HD21 LEU 42 HD21 LEU 42 8.140 -3.369 -1.186 349 HD22 LEU 42 HD22 LEU 42 7.576 -4.983 -1.598 350 HD23 LEU 42 HD23 LEU 42 9.301 -4.629 -1.613 351 H ARG 43 HN ARG 43 11.994 -4.641 2.816 352 HA ARG 43 HA ARG 43 12.945 -2.104 3.411 353 HB2 ARG 43 HB2 ARG 43 12.679 -3.733 5.165 354 HB3 ARG 43 HB1 ARG 43 13.872 -4.789 4.426 355 HG2 ARG 43 HG2 ARG 43 15.647 -3.254 4.971 356 HG3 ARG 43 HG1 ARG 43 14.488 -2.061 5.559 357 HD2 ARG 43 HD2 ARG 43 15.598 -3.333 7.374 358 HD3 ARG 43 HD1 ARG 43 13.843 -3.496 7.373 359 HE ARG 43 HE ARG 43 15.258 -5.564 5.952 360 HH11 ARG 43 HH11 ARG 43 14.029 -4.576 9.136 361 HH12 ARG 43 HH12 ARG 43 13.839 -6.166 9.697 362 HH21 ARG 43 HH21 ARG 43 14.938 -7.781 6.757 363 HH22 ARG 43 HH22 ARG 43 14.340 -8.012 8.331 364 H ALA 44 HN ALA 44 14.708 -4.822 1.995 365 HA ALA 44 HA ALA 44 17.136 -3.385 1.755 366 HB1 ALA 44 HB1 ALA 44 17.093 -5.814 1.707 367 HB2 ALA 44 HB2 ALA 44 17.839 -5.175 0.241 368 HB3 ALA 44 HB3 ALA 44 16.181 -5.780 0.199 369 H THR 45 HN THR 45 14.528 -4.079 -0.534 370 HA THR 45 HA THR 45 15.709 -2.840 -2.748 371 HB THR 45 HB THR 45 12.756 -3.190 -2.165 372 HG1 THR 45 HG1 THR 45 13.562 -5.185 -2.153 373 HG21 THR 45 HG21 THR 45 13.219 -1.643 -4.029 374 HG22 THR 45 HG22 THR 45 12.495 -3.143 -4.602 375 HG23 THR 45 HG23 THR 45 14.229 -2.869 -4.789 376 H CYS 46 HN CYS 46 13.734 -1.420 -0.158 377 HA CYS 46 HA CYS 46 13.345 1.105 -1.377 378 HB2 CYS 46 HB2 CYS 46 12.204 0.114 0.703 379 HB3 CYS 46 HB1 CYS 46 13.648 0.590 1.553 380 HG CYS 46 HG CYS 46 12.779 3.265 -0.026 381 H THR 47 HN THR 47 15.815 -0.246 0.626 382 HA THR 47 HA THR 47 17.343 2.140 0.931 383 HB THR 47 HB THR 47 18.247 -0.742 1.198 384 HG1 THR 47 HG1 THR 47 16.616 -0.630 2.613 385 HG21 THR 47 HG21 THR 47 20.084 0.920 1.238 386 HG22 THR 47 HG22 THR 47 19.861 0.176 2.821 387 HG23 THR 47 HG23 THR 47 19.248 1.800 2.518 388 H LEU 48 HN LEU 48 17.178 -0.384 -1.441 389 HA LEU 48 HA LEU 48 19.655 0.281 -2.775 390 HB2 LEU 48 HB2 LEU 48 17.413 -1.554 -3.566 391 HB3 LEU 48 HB1 LEU 48 18.926 -1.454 -4.419 392 HG LEU 48 HG LEU 48 18.466 -2.478 -1.623 393 HD11 LEU 48 HD11 LEU 48 17.800 -4.018 -3.353 394 HD12 LEU 48 HD12 LEU 48 19.249 -4.595 -2.531 395 HD13 LEU 48 HD13 LEU 48 19.378 -3.861 -4.128 396 HD21 LEU 48 HD21 LEU 48 21.080 -2.160 -3.108 397 HD22 LEU 48 HD22 LEU 48 20.862 -3.036 -1.596 398 HD23 LEU 48 HD23 LEU 48 20.589 -1.297 -1.648 399 H SER 49 HN SER 49 16.257 0.310 -3.798 400 HA SER 49 HA SER 49 16.862 1.838 -6.164 401 HB2 SER 49 HB2 SER 49 15.175 0.035 -6.206 402 HB3 SER 49 HB1 SER 49 14.231 0.877 -4.987 403 HG SER 49 HG SER 49 14.797 1.704 -7.627 404 H GLY 50 HN GLY 50 15.067 2.299 -3.141 405 HA2 GLY 50 HA2 GLY 50 15.359 4.511 -2.121 406 HA3 GLY 50 HA1 GLY 50 14.968 5.161 -3.715 407 H ASN 51 HN ASN 51 12.908 3.974 -4.610 408 HA ASN 51 HA ASN 51 10.825 3.781 -2.591 409 HB2 ASN 51 HB2 ASN 51 11.040 6.171 -2.697 410 HB3 ASN 51 HB1 ASN 51 11.065 6.155 -4.440 411 HD21 ASN 51 HD21 ASN 51 8.999 5.961 -1.636 412 HD22 ASN 51 HD22 ASN 51 7.603 6.151 -2.678 413 H ARG 52 HN ARG 52 11.147 4.624 -5.964 414 HA ARG 52 HA ARG 52 8.649 3.837 -6.789 415 HB2 ARG 52 HB2 ARG 52 10.212 5.340 -7.983 416 HB3 ARG 52 HB1 ARG 52 11.075 3.923 -8.549 417 HG2 ARG 52 HG2 ARG 52 9.166 3.184 -9.803 418 HG3 ARG 52 HG1 ARG 52 8.178 4.474 -9.108 419 HD2 ARG 52 HD2 ARG 52 10.581 4.846 -10.890 420 HD3 ARG 52 HD1 ARG 52 8.896 5.059 -11.364 421 HE ARG 52 HE ARG 52 9.668 6.660 -9.114 422 HH11 ARG 52 HH11 ARG 52 9.546 6.592 -12.649 423 HH12 ARG 52 HH12 ARG 52 9.604 8.276 -12.808 424 HH21 ARG 52 HH21 ARG 52 9.737 8.956 -9.342 425 HH22 ARG 52 HH22 ARG 52 9.714 9.646 -10.899 426 H ASP 53 HN ASP 53 11.607 1.835 -7.179 427 HA ASP 53 HA ASP 53 10.132 -0.312 -8.400 428 HB2 ASP 53 HB2 ASP 53 12.556 -0.075 -8.787 429 HB3 ASP 53 HB1 ASP 53 12.859 -0.392 -7.085 430 H THR 54 HN THR 54 10.690 0.663 -5.201 431 HA THR 54 HA THR 54 10.279 -1.885 -3.987 432 HB THR 54 HB THR 54 10.033 0.830 -2.698 433 HG1 THR 54 HG1 THR 54 12.078 -0.272 -4.021 434 HG21 THR 54 HG21 THR 54 9.423 -1.216 -1.395 435 HG22 THR 54 HG22 THR 54 10.817 -0.367 -0.736 436 HG23 THR 54 HG23 THR 54 11.050 -1.837 -1.681 437 H LEU 55 HN LEU 55 8.367 1.048 -4.621 438 HA LEU 55 HA LEU 55 6.008 0.431 -3.377 439 HB2 LEU 55 HB2 LEU 55 6.753 2.078 -5.676 440 HB3 LEU 55 HB1 LEU 55 5.072 1.604 -5.609 441 HG LEU 55 HG LEU 55 4.915 2.632 -3.358 442 HD11 LEU 55 HD11 LEU 55 7.224 2.461 -2.690 443 HD12 LEU 55 HD12 LEU 55 6.582 4.104 -2.592 444 HD13 LEU 55 HD13 LEU 55 7.657 3.664 -3.916 445 HD21 LEU 55 HD21 LEU 55 4.205 3.854 -5.297 446 HD22 LEU 55 HD22 LEU 55 5.862 4.347 -5.622 447 HD23 LEU 55 HD23 LEU 55 5.039 4.945 -4.185 448 H TRP 56 HN TRP 56 7.094 -0.549 -6.575 449 HA TRP 56 HA TRP 56 4.722 -1.736 -7.441 450 HB2 TRP 56 HB2 TRP 56 6.563 -1.311 -8.996 451 HB3 TRP 56 HB1 TRP 56 7.569 -2.496 -8.165 452 HD1 TRP 56 HD1 TRP 56 7.391 -4.952 -8.982 453 HE1 TRP 56 HE1 TRP 56 5.886 -6.207 -10.650 454 HE3 TRP 56 HE3 TRP 56 4.012 -1.246 -9.985 455 HZ2 TRP 56 HZ2 TRP 56 3.586 -5.701 -12.191 456 HZ3 TRP 56 HZ3 TRP 56 2.187 -1.718 -11.570 457 HH2 TRP 56 HH2 TRP 56 1.981 -3.897 -12.648 458 H HIS 57 HN HIS 57 7.495 -3.196 -5.819 459 HA HIS 57 HA HIS 57 6.327 -5.769 -5.626 460 HB2 HIS 57 HB2 HIS 57 8.642 -4.529 -4.126 461 HB3 HIS 57 HB1 HIS 57 8.174 -6.218 -3.972 462 HD1 HIS 57 HD1 HIS 57 10.114 -3.899 -6.182 463 HD2 HIS 57 HD2 HIS 57 8.552 -7.754 -6.339 464 HE1 HIS 57 HE1 HIS 57 11.274 -5.040 -8.064 465 H LEU 58 HN LEU 58 6.307 -2.954 -3.621 466 HA LEU 58 HA LEU 58 5.275 -3.943 -1.217 467 HB2 LEU 58 HB2 LEU 58 6.166 -1.682 -1.509 468 HB3 LEU 58 HB1 LEU 58 4.869 -1.291 -2.603 469 HG LEU 58 HG LEU 58 3.286 -1.602 -0.653 470 HD11 LEU 58 HD11 LEU 58 5.844 -1.551 0.922 471 HD12 LEU 58 HD12 LEU 58 4.707 -2.897 0.808 472 HD13 LEU 58 HD13 LEU 58 4.221 -1.393 1.592 473 HD21 LEU 58 HD21 LEU 58 5.359 0.585 -0.508 474 HD22 LEU 58 HD22 LEU 58 3.791 0.614 0.296 475 HD23 LEU 58 HD23 LEU 58 3.877 0.599 -1.465 476 H PHE 59 HN PHE 59 3.511 -2.282 -3.828 477 HA PHE 59 HA PHE 59 0.980 -2.952 -2.813 478 HB2 PHE 59 HB2 PHE 59 1.782 -1.997 -5.563 479 HB3 PHE 59 HB1 PHE 59 0.108 -2.221 -5.066 480 HD1 PHE 59 HD2 PHE 59 -0.582 -1.002 -2.859 481 HD2 PHE 59 HD1 PHE 59 2.756 0.098 -5.264 482 HE1 PHE 59 HE2 PHE 59 -0.611 1.250 -1.871 483 HE2 PHE 59 HE1 PHE 59 2.724 2.358 -4.268 484 HZ PHE 59 HZ PHE 59 1.043 2.925 -2.578 485 H ASN 60 HN ASN 60 3.094 -4.608 -4.959 486 HA ASN 60 HA ASN 60 1.481 -6.571 -6.092 487 HB2 ASN 60 HB2 ASN 60 3.732 -6.461 -6.820 488 HB3 ASN 60 HB1 ASN 60 4.349 -6.543 -5.178 489 HD21 ASN 60 HD21 ASN 60 4.479 -8.568 -4.143 490 HD22 ASN 60 HD22 ASN 60 4.424 -10.039 -5.019 491 H THR 61 HN THR 61 3.172 -6.737 -2.899 492 HA THR 61 HA THR 61 1.668 -9.164 -2.549 493 HB THR 61 HB THR 61 3.445 -8.193 -0.342 494 HG1 THR 61 HG1 THR 61 5.197 -8.916 -1.385 495 HG21 THR 61 HG21 THR 61 2.909 -10.864 -1.650 496 HG22 THR 61 HG22 THR 61 2.132 -10.265 -0.186 497 HG23 THR 61 HG23 THR 61 3.866 -10.595 -0.192 498 H LEU 62 HN LEU 62 1.576 -5.830 -1.458 499 HA LEU 62 HA LEU 62 -0.069 -6.088 0.722 500 HB2 LEU 62 HB2 LEU 62 0.525 -3.998 -1.226 501 HB3 LEU 62 HB1 LEU 62 -1.024 -3.822 -0.427 502 HG LEU 62 HG LEU 62 0.056 -3.818 1.726 503 HD11 LEU 62 HD11 LEU 62 2.655 -4.049 0.252 504 HD12 LEU 62 HD12 LEU 62 1.917 -5.251 1.313 505 HD13 LEU 62 HD13 LEU 62 2.470 -3.713 1.977 506 HD21 LEU 62 HD21 LEU 62 1.246 -1.668 1.539 507 HD22 LEU 62 HD22 LEU 62 -0.267 -1.697 0.633 508 HD23 LEU 62 HD23 LEU 62 1.264 -1.862 -0.214 509 H GLN 63 HN GLN 63 -0.965 -6.110 -2.704 510 HA GLN 63 HA GLN 63 -3.760 -6.154 -2.226 511 HB2 GLN 63 HB2 GLN 63 -4.014 -6.992 -4.529 512 HB3 GLN 63 HB1 GLN 63 -2.925 -5.616 -4.452 513 HG2 GLN 63 HG2 GLN 63 -1.023 -6.959 -4.774 514 HG3 GLN 63 HG1 GLN 63 -1.908 -8.439 -4.459 515 HE21 GLN 63 HE21 GLN 63 -3.170 -5.925 -6.461 516 HE22 GLN 63 HE22 GLN 63 -3.074 -6.776 -7.956 517 H ARG 64 HN ARG 64 -1.494 -8.449 -1.461 518 HA ARG 64 HA ARG 64 -3.411 -10.650 -1.670 519 HB2 ARG 64 HB2 ARG 64 -0.425 -10.709 -1.184 520 HB3 ARG 64 HB1 ARG 64 -1.467 -12.117 -1.368 521 HG2 ARG 64 HG2 ARG 64 -1.969 -11.480 -3.657 522 HG3 ARG 64 HG1 ARG 64 -0.992 -10.024 -3.478 523 HD2 ARG 64 HD2 ARG 64 0.216 -11.746 -4.680 524 HD3 ARG 64 HD1 ARG 64 0.994 -11.402 -3.136 525 HE ARG 64 HE ARG 64 -0.471 -13.453 -2.434 526 HH11 ARG 64 HH11 ARG 64 1.327 -13.066 -5.454 527 HH12 ARG 64 HH12 ARG 64 1.676 -14.728 -5.613 528 HH21 ARG 64 HH21 ARG 64 -0.024 -15.702 -2.652 529 HH22 ARG 64 HH22 ARG 64 0.882 -16.277 -3.991 530 H ARG 65 HN ARG 65 -2.762 -8.291 0.371 531 HA ARG 65 HA ARG 65 -2.769 -9.964 2.778 532 HB2 ARG 65 HB2 ARG 65 -2.166 -7.000 2.559 533 HB3 ARG 65 HB1 ARG 65 -2.004 -7.987 4.002 534 HG2 ARG 65 HG2 ARG 65 -0.345 -8.168 1.491 535 HG3 ARG 65 HG1 ARG 65 0.166 -7.504 3.042 536 HD2 ARG 65 HD2 ARG 65 -0.084 -9.705 4.063 537 HD3 ARG 65 HD1 ARG 65 -0.633 -10.360 2.518 538 HE ARG 65 HE ARG 65 1.884 -9.136 2.216 539 HH11 ARG 65 HH11 ARG 65 0.385 -12.047 3.549 540 HH12 ARG 65 HH12 ARG 65 1.764 -13.011 3.387 541 HH21 ARG 65 HH21 ARG 65 3.816 -10.426 2.023 542 HH22 ARG 65 HH22 ARG 65 3.773 -12.064 2.511 543 HA PRO 66 HA PRO 66 -7.147 -8.917 2.793 544 HB2 PRO 66 HB2 PRO 66 -6.969 -9.914 5.575 545 HB3 PRO 66 HB1 PRO 66 -8.032 -10.435 4.263 546 HG2 PRO 66 HG2 PRO 66 -5.991 -11.954 5.043 547 HG3 PRO 66 HG1 PRO 66 -6.409 -11.804 3.327 548 HD2 PRO 66 HD2 PRO 66 -4.202 -10.488 4.859 549 HD3 PRO 66 HD1 PRO 66 -4.201 -11.204 3.227 550 H GLY 67 HN GLY 67 -7.593 -6.820 2.951 551 HA2 GLY 67 HA2 GLY 67 -8.207 -4.843 3.979 552 HA3 GLY 67 HA1 GLY 67 -7.870 -5.605 5.522 553 H TRP 68 HN TRP 68 -5.526 -5.317 2.905 554 HA TRP 68 HA TRP 68 -3.473 -4.333 4.473 555 HB2 TRP 68 HB2 TRP 68 -2.293 -3.746 2.410 556 HB3 TRP 68 HB1 TRP 68 -3.061 -5.311 2.265 557 HD1 TRP 68 HD1 TRP 68 -5.188 -5.462 0.535 558 HE1 TRP 68 HE1 TRP 68 -5.750 -4.029 -1.543 559 HE3 TRP 68 HE3 TRP 68 -2.215 -1.405 1.472 560 HZ2 TRP 68 HZ2 TRP 68 -5.044 -1.549 -2.626 561 HZ3 TRP 68 HZ3 TRP 68 -2.217 0.452 -0.140 562 HH2 TRP 68 HH2 TRP 68 -3.602 0.378 -2.148 563 H VAL 69 HN VAL 69 -5.991 -2.607 2.908 564 HA VAL 69 HA VAL 69 -4.975 -0.029 2.777 565 HB VAL 69 HB VAL 69 -7.849 -0.798 3.345 566 HG11 VAL 69 HG11 VAL 69 -6.697 1.716 2.142 567 HG12 VAL 69 HG12 VAL 69 -7.418 1.564 3.743 568 HG13 VAL 69 HG13 VAL 69 -8.414 1.342 2.305 569 HG21 VAL 69 HG21 VAL 69 -7.018 -1.930 1.361 570 HG22 VAL 69 HG22 VAL 69 -6.423 -0.398 0.718 571 HG23 VAL 69 HG23 VAL 69 -8.157 -0.658 0.912 572 H GLU 70 HN GLU 70 -6.590 -1.672 5.512 573 HA GLU 70 HA GLU 70 -6.987 0.440 7.225 574 HB2 GLU 70 HB2 GLU 70 -6.288 -2.449 7.707 575 HB3 GLU 70 HB1 GLU 70 -6.794 -1.346 8.967 576 HG2 GLU 70 HG2 GLU 70 -8.483 -1.980 6.563 577 HG3 GLU 70 HG1 GLU 70 -8.545 -2.913 8.055 578 H TYR 71 HN TYR 71 -4.163 -1.679 6.834 579 HA TYR 71 HA TYR 71 -2.639 -0.507 8.917 580 HB2 TYR 71 HB2 TYR 71 -1.912 -2.345 6.640 581 HB3 TYR 71 HB1 TYR 71 -0.847 -1.914 7.971 582 HD1 TYR 71 HD2 TYR 71 -1.253 -2.774 10.201 583 HD2 TYR 71 HD1 TYR 71 -3.756 -3.891 6.953 584 HE1 TYR 71 HE2 TYR 71 -2.164 -4.603 11.543 585 HE2 TYR 71 HE1 TYR 71 -4.680 -5.738 8.296 586 HH TYR 71 HH TYR 71 -4.028 -7.100 10.228 587 H PHE 72 HN PHE 72 -2.918 -0.172 5.461 588 HA PHE 72 HA PHE 72 -0.555 1.290 5.030 589 HB2 PHE 72 HB2 PHE 72 -1.975 -0.009 3.348 590 HB3 PHE 72 HB1 PHE 72 -3.039 1.388 3.325 591 HD1 PHE 72 HD2 PHE 72 0.593 0.615 3.014 592 HD2 PHE 72 HD1 PHE 72 -2.714 2.890 1.615 593 HE1 PHE 72 HE2 PHE 72 2.021 1.608 1.282 594 HE2 PHE 72 HE1 PHE 72 -1.292 3.884 -0.127 595 HZ PHE 72 HZ PHE 72 1.077 3.243 -0.295 596 H ILE 73 HN ILE 73 -3.817 2.226 5.941 597 HA ILE 73 HA ILE 73 -3.652 5.024 5.565 598 HB ILE 73 HB ILE 73 -5.054 3.662 7.894 599 HG12 ILE 73 HG12 ILE 73 -5.865 2.626 5.841 600 HG13 ILE 73 HG11 ILE 73 -7.114 3.643 6.538 601 HG21 ILE 73 HG21 ILE 73 -4.887 6.051 8.171 602 HG22 ILE 73 HG22 ILE 73 -6.566 5.605 7.857 603 HG23 ILE 73 HG23 ILE 73 -5.586 6.317 6.574 604 HD11 ILE 73 HD11 ILE 73 -7.056 3.809 4.155 605 HD12 ILE 73 HD12 ILE 73 -5.363 4.305 4.190 606 HD13 ILE 73 HD13 ILE 73 -6.613 5.363 4.873 607 H ALA 74 HN ALA 74 -2.954 2.986 8.361 608 HA ALA 74 HA ALA 74 -2.078 5.049 10.081 609 HB1 ALA 74 HB1 ALA 74 -2.910 2.893 10.906 610 HB2 ALA 74 HB2 ALA 74 -1.300 3.248 11.535 611 HB3 ALA 74 HB3 ALA 74 -1.498 2.091 10.220 612 H ALA 75 HN ALA 75 -0.466 2.966 7.820 613 HA ALA 75 HA ALA 75 2.188 3.415 8.505 614 HB1 ALA 75 HB1 ALA 75 2.718 2.726 6.236 615 HB2 ALA 75 HB2 ALA 75 1.047 2.993 5.746 616 HB3 ALA 75 HB3 ALA 75 1.429 1.711 6.884 617 H LEU 76 HN LEU 76 0.423 5.006 5.809 618 HA LEU 76 HA LEU 76 2.157 6.993 5.211 619 HB2 LEU 76 HB2 LEU 76 -0.774 6.553 5.009 620 HB3 LEU 76 HB1 LEU 76 -0.078 8.068 4.487 621 HG LEU 76 HG LEU 76 1.043 7.085 2.709 622 HD11 LEU 76 HD11 LEU 76 0.562 4.355 3.844 623 HD12 LEU 76 HD12 LEU 76 2.095 5.243 3.780 624 HD13 LEU 76 HD13 LEU 76 1.311 4.741 2.282 625 HD21 LEU 76 HD21 LEU 76 -1.543 5.611 3.010 626 HD22 LEU 76 HD22 LEU 76 -0.655 5.803 1.504 627 HD23 LEU 76 HD23 LEU 76 -1.324 7.217 2.322 628 H ARG 77 HN ARG 77 -0.611 7.093 7.415 629 HA ARG 77 HA ARG 77 -0.353 9.856 8.004 630 HB2 ARG 77 HB2 ARG 77 -2.406 8.388 8.142 631 HB3 ARG 77 HB1 ARG 77 -1.768 7.754 9.635 632 HG2 ARG 77 HG2 ARG 77 -1.976 9.847 10.745 633 HG3 ARG 77 HG1 ARG 77 -2.314 10.682 9.227 634 HD2 ARG 77 HD2 ARG 77 -4.374 10.345 10.514 635 HD3 ARG 77 HD1 ARG 77 -4.413 9.448 8.999 636 HE ARG 77 HE ARG 77 -3.463 7.918 11.215 637 HH11 ARG 77 HH11 ARG 77 -6.399 8.964 9.509 638 HH12 ARG 77 HH12 ARG 77 -7.393 7.717 10.101 639 HH21 ARG 77 HH21 ARG 77 -4.845 6.195 12.099 640 HH22 ARG 77 HH22 ARG 77 -6.469 6.093 11.649 641 H GLY 78 HN GLY 78 1.215 7.088 9.144 642 HA2 GLY 78 HA2 GLY 78 2.248 8.492 11.500 643 HA3 GLY 78 HA1 GLY 78 2.319 6.758 11.238 644 H CYS 79 HN CYS 79 3.161 8.551 8.445 645 HA CYS 79 HA CYS 79 5.974 8.617 9.264 646 HB2 CYS 79 HB2 CYS 79 6.664 7.782 7.006 647 HB3 CYS 79 HB1 CYS 79 5.829 6.576 7.966 648 HG CYS 79 HG CYS 79 3.598 6.529 6.615 649 H GLU 80 HN GLU 80 4.120 10.663 9.212 650 HA GLU 80 HA GLU 80 4.035 12.898 8.804 651 HB2 GLU 80 HB2 GLU 80 6.418 12.459 7.002 652 HB3 GLU 80 HB1 GLU 80 5.784 14.019 7.482 653 HG2 GLU 80 HG2 GLU 80 6.413 13.615 9.772 654 HG3 GLU 80 HG1 GLU 80 6.915 11.969 9.368 655 H LEU 81 HN LEU 81 3.279 10.633 6.624 656 HA LEU 81 HA LEU 81 2.732 12.565 4.515 657 HB2 LEU 81 HB2 LEU 81 2.860 9.546 4.305 658 HB3 LEU 81 HB1 LEU 81 2.616 10.683 2.991 659 HG LEU 81 HG LEU 81 5.108 10.649 4.695 660 HD11 LEU 81 HD11 LEU 81 6.226 9.609 2.846 661 HD12 LEU 81 HD12 LEU 81 4.712 9.523 1.949 662 HD13 LEU 81 HD13 LEU 81 4.917 8.581 3.431 663 HD21 LEU 81 HD21 LEU 81 6.039 12.017 2.880 664 HD22 LEU 81 HD22 LEU 81 4.686 12.801 3.684 665 HD23 LEU 81 HD23 LEU 81 4.453 12.048 2.105 666 H VAL 82 HN VAL 82 1.025 13.344 5.733 667 HA VAL 82 HA VAL 82 -1.261 11.737 6.376 668 HB VAL 82 HB VAL 82 -1.037 14.761 6.262 669 HG11 VAL 82 HG11 VAL 82 -3.348 13.995 6.306 670 HG12 VAL 82 HG12 VAL 82 -2.919 14.759 7.836 671 HG13 VAL 82 HG13 VAL 82 -3.007 13.001 7.722 672 HG21 VAL 82 HG21 VAL 82 -0.621 14.658 8.682 673 HG22 VAL 82 HG22 VAL 82 0.646 13.847 7.762 674 HG23 VAL 82 HG23 VAL 82 -0.587 12.898 8.592 675 H ASP 83 HN ASP 83 -0.248 13.837 3.801 676 HA ASP 83 HA ASP 83 -2.664 14.232 2.449 677 HB2 ASP 83 HB2 ASP 83 -0.586 15.424 1.869 678 HB3 ASP 83 HB1 ASP 83 0.091 13.927 1.237 679 H LEU 84 HN LEU 84 -0.236 11.719 2.048 680 HA LEU 84 HA LEU 84 -1.574 10.256 0.062 681 HB2 LEU 84 HB2 LEU 84 0.419 9.349 2.129 682 HB3 LEU 84 HB1 LEU 84 -0.149 8.357 0.808 683 HG LEU 84 HG LEU 84 1.375 10.939 0.453 684 HD11 LEU 84 HD11 LEU 84 2.253 8.068 0.181 685 HD12 LEU 84 HD12 LEU 84 2.701 9.145 1.497 686 HD13 LEU 84 HD13 LEU 84 3.239 9.493 -0.149 687 HD21 LEU 84 HD21 LEU 84 1.574 10.185 -1.846 688 HD22 LEU 84 HD22 LEU 84 -0.138 10.346 -1.412 689 HD23 LEU 84 HD23 LEU 84 0.628 8.755 -1.458 690 H ALA 85 HN ALA 85 -1.631 10.014 3.589 691 HA ALA 85 HA ALA 85 -3.184 7.700 3.799 692 HB1 ALA 85 HB1 ALA 85 -3.109 10.049 5.696 693 HB2 ALA 85 HB2 ALA 85 -1.988 8.689 5.707 694 HB3 ALA 85 HB3 ALA 85 -3.689 8.430 6.083 695 H ASP 86 HN ASP 86 -4.121 11.091 3.565 696 HA ASP 86 HA ASP 86 -6.896 10.623 3.895 697 HB2 ASP 86 HB2 ASP 86 -5.825 12.828 4.273 698 HB3 ASP 86 HB1 ASP 86 -5.561 12.968 2.537 699 H GLU 87 HN GLU 87 -4.815 10.880 1.020 700 HA GLU 87 HA GLU 87 -6.769 10.802 -0.926 701 HB2 GLU 87 HB2 GLU 87 -3.906 9.943 -0.808 702 HB3 GLU 87 HB1 GLU 87 -4.830 9.811 -2.280 703 HG2 GLU 87 HG2 GLU 87 -4.236 12.339 -0.752 704 HG3 GLU 87 HG1 GLU 87 -3.491 11.834 -2.269 705 H VAL 88 HN VAL 88 -5.031 8.177 0.696 706 HA VAL 88 HA VAL 88 -6.289 6.116 -0.812 707 HB VAL 88 HB VAL 88 -4.910 5.937 1.893 708 HG11 VAL 88 HG11 VAL 88 -6.377 4.005 1.464 709 HG12 VAL 88 HG12 VAL 88 -4.673 3.556 1.445 710 HG13 VAL 88 HG13 VAL 88 -5.550 3.738 -0.074 711 HG21 VAL 88 HG21 VAL 88 -3.446 6.775 0.143 712 HG22 VAL 88 HG22 VAL 88 -3.863 5.401 -0.882 713 HG23 VAL 88 HG23 VAL 88 -2.980 5.145 0.624 714 H ALA 89 HN ALA 89 -6.918 7.561 2.333 715 HA ALA 89 HA ALA 89 -8.906 5.818 3.204 716 HB1 ALA 89 HB1 ALA 89 -7.750 7.376 4.679 717 HB2 ALA 89 HB2 ALA 89 -9.503 7.537 4.812 718 HB3 ALA 89 HB3 ALA 89 -8.572 8.726 3.899 719 H SER 90 HN SER 90 -9.215 8.749 1.185 720 HA SER 90 HA SER 90 -12.030 8.794 1.349 721 HB2 SER 90 HB2 SER 90 -11.787 10.337 -0.674 722 HB3 SER 90 HB1 SER 90 -10.964 10.839 0.801 723 HG SER 90 HG SER 90 -9.215 10.822 -0.289 724 H VAL 91 HN VAL 91 -9.800 7.097 -0.666 725 HA VAL 91 HA VAL 91 -11.677 6.313 -2.666 726 HB VAL 91 HB VAL 91 -9.130 4.886 -1.836 727 HG11 VAL 91 HG11 VAL 91 -10.587 3.458 -3.161 728 HG12 VAL 91 HG12 VAL 91 -9.176 3.938 -4.106 729 HG13 VAL 91 HG13 VAL 91 -10.734 4.716 -4.388 730 HG21 VAL 91 HG21 VAL 91 -9.576 6.964 -3.963 731 HG22 VAL 91 HG22 VAL 91 -8.080 6.070 -3.697 732 HG23 VAL 91 HG23 VAL 91 -8.676 7.181 -2.462 733 H TYR 92 HN TYR 92 -10.383 4.791 0.231 734 HA TYR 92 HA TYR 92 -11.948 2.442 -0.038 735 HB2 TYR 92 HB2 TYR 92 -9.787 2.610 1.235 736 HB3 TYR 92 HB1 TYR 92 -10.651 3.500 2.484 737 HD1 TYR 92 HD1 TYR 92 -10.556 0.250 0.692 738 HD2 TYR 92 HD2 TYR 92 -11.812 2.340 4.179 739 HE1 TYR 92 HE1 TYR 92 -11.219 -1.879 1.721 740 HE2 TYR 92 HE2 TYR 92 -12.473 0.219 5.214 741 HH TYR 92 HH TYR 92 -13.225 -2.003 4.312 742 H GLN 93 HN GLN 93 -12.554 5.563 1.219 743 HA GLN 93 HA GLN 93 -14.678 5.075 2.971 744 HB2 GLN 93 HB2 GLN 93 -13.417 7.225 2.659 745 HB3 GLN 93 HB1 GLN 93 -14.306 7.470 1.170 746 HG2 GLN 93 HG2 GLN 93 -15.221 8.819 2.968 747 HG3 GLN 93 HG1 GLN 93 -16.392 7.618 2.436 748 HE21 GLN 93 HE21 GLN 93 -14.141 8.471 4.944 749 HE22 GLN 93 HE22 GLN 93 -14.814 7.485 6.183 750 H SER 94 HN SER 94 -14.473 4.920 -0.462 751 HA SER 94 HA SER 94 -17.382 4.783 -0.692 752 HB2 SER 94 HB2 SER 94 -16.934 5.013 -3.193 753 HB3 SER 94 HB1 SER 94 -16.569 6.419 -2.199 754 HG SER 94 HG SER 94 -14.365 4.835 -2.396 755 H TYR 95 HN TYR 95 -14.968 2.631 -0.142 756 HA TYR 95 HA TYR 95 -16.361 0.428 -1.466 757 HB2 TYR 95 HB2 TYR 95 -13.356 0.859 -1.526 758 HB3 TYR 95 HB1 TYR 95 -14.213 -0.588 -2.025 759 HD1 TYR 95 HD2 TYR 95 -15.431 -0.674 -4.203 760 HD2 TYR 95 HD1 TYR 95 -13.382 2.852 -2.907 761 HE1 TYR 95 HE2 TYR 95 -15.631 0.267 -6.420 762 HE2 TYR 95 HE1 TYR 95 -13.570 3.771 -5.168 763 HH TYR 95 HH TYR 95 -13.887 3.063 -7.358 764 H GLN 96 HN GLN 96 -17.313 -0.140 0.365 765 HA GLN 96 HA GLN 96 -17.603 -0.909 2.460 766 HB2 GLN 96 HB2 GLN 96 -15.139 -2.399 1.625 767 HB3 GLN 96 HB1 GLN 96 -15.866 -2.689 3.193 768 HG2 GLN 96 HG2 GLN 96 -17.994 -3.193 2.005 769 HG3 GLN 96 HG1 GLN 96 -17.106 -3.071 0.491 770 HE21 GLN 96 HE21 GLN 96 -15.620 -4.662 -0.036 771 HE22 GLN 96 HE22 GLN 96 -15.536 -6.180 0.798 772 HA PRO 97 HA PRO 97 -14.614 2.498 3.762 773 HB2 PRO 97 HB2 PRO 97 -16.487 3.835 5.254 774 HB3 PRO 97 HB1 PRO 97 -16.252 4.083 3.523 775 HG2 PRO 97 HG2 PRO 97 -18.222 2.315 4.911 776 HG3 PRO 97 HG1 PRO 97 -18.521 3.491 3.627 777 HD2 PRO 97 HD2 PRO 97 -18.328 0.936 3.053 778 HD3 PRO 97 HD1 PRO 97 -17.490 2.070 1.987 779 H ARG 98 HN ARG 98 -16.965 0.856 5.654 780 HA ARG 98 HA ARG 98 -15.082 0.440 7.785 781 HB2 ARG 98 HB2 ARG 98 -17.041 1.129 9.422 782 HB3 ARG 98 HB1 ARG 98 -15.957 2.343 8.774 783 HG2 ARG 98 HG2 ARG 98 -18.177 3.224 8.669 784 HG3 ARG 98 HG1 ARG 98 -17.690 2.843 7.021 785 HD2 ARG 98 HD2 ARG 98 -18.944 0.719 7.206 786 HD3 ARG 98 HD1 ARG 98 -19.486 1.236 8.803 787 HE ARG 98 HE ARG 98 -20.023 3.125 6.701 788 HH11 ARG 98 HH11 ARG 98 -21.280 0.432 8.590 789 HH12 ARG 98 HH12 ARG 98 -22.896 0.668 8.136 790 HH21 ARG 98 HH21 ARG 98 -22.212 3.484 6.072 791 HH22 ARG 98 HH22 ARG 98 -23.438 2.445 6.645 792 H THR 99 HN THR 99 -16.406 -1.035 5.673 793 HA THR 99 HA THR 99 -18.050 -2.873 7.210 794 HB THR 99 HB THR 99 -17.532 -2.979 4.223 795 HG1 THR 99 HG1 THR 99 -19.632 -1.646 5.613 796 HG21 THR 99 HG21 THR 99 -19.830 -3.964 5.937 797 HG22 THR 99 HG22 THR 99 -18.535 -4.967 5.294 798 HG23 THR 99 HG23 THR 99 -19.670 -4.185 4.195 799 H SER 100 HN SER 100 -16.168 -3.556 8.374 800 HA SER 100 HA SER 100 -14.001 -4.781 6.968 801 HB2 SER 100 HB2 SER 100 -14.640 -4.711 9.939 802 HB3 SER 100 HB1 SER 100 -13.088 -5.136 9.216 803 HG SER 100 HG SER 100 -13.240 -2.945 8.220 Start of MODEL 7 1 H1 GLY -1 HT1 GLY -1 -6.060 -18.343 -1.712 2 H2 GLY -1 HT2 GLY -1 -6.408 -18.614 -3.348 3 H3 GLY -1 HT3 GLY -1 -7.628 -18.149 -2.272 4 HA2 GLY -1 HA1 GLY -1 -5.330 -16.471 -2.945 5 HA3 GLY -1 HA2 GLY -1 -6.937 -16.307 -3.644 6 H SER 0 HN SER 0 -5.597 -14.315 -2.167 7 HA SER 0 HA SER 0 -6.458 -14.190 0.533 8 HB2 SER 0 HB2 SER 0 -5.861 -11.932 -1.305 9 HB3 SER 0 HB1 SER 0 -5.639 -11.976 0.444 10 HG SER 0 HG SER 0 -3.705 -12.734 0.096 11 H MET 1 HN MET 1 -7.575 -13.111 -2.502 12 HA MET 1 HA MET 1 -9.433 -12.269 -3.366 13 HB2 MET 1 HB2 MET 1 -10.566 -13.434 -0.897 14 HB3 MET 1 HB1 MET 1 -11.617 -12.641 -2.087 15 HG2 MET 1 HG2 MET 1 -10.769 -14.271 -3.775 16 HG3 MET 1 HG1 MET 1 -9.862 -15.064 -2.490 17 HE1 MET 1 HE1 MET 1 -13.429 -14.176 -3.887 18 HE2 MET 1 HE2 MET 1 -13.535 -13.536 -2.245 19 HE3 MET 1 HE3 MET 1 -14.486 -14.943 -2.706 20 HA PRO 2 HA PRO 2 -9.426 -8.358 -1.143 21 HB2 PRO 2 HB2 PRO 2 -8.160 -6.868 -2.984 22 HB3 PRO 2 HB1 PRO 2 -7.272 -7.965 -1.907 23 HG2 PRO 2 HG2 PRO 2 -7.963 -8.327 -4.783 24 HG3 PRO 2 HG1 PRO 2 -6.506 -8.813 -3.902 25 HD2 PRO 2 HD2 PRO 2 -8.718 -10.445 -4.516 26 HD3 PRO 2 HD1 PRO 2 -7.411 -10.831 -3.383 27 H PHE 3 HN PHE 3 -10.989 -6.773 -1.451 28 HA PHE 3 HA PHE 3 -12.520 -6.978 -3.961 29 HB2 PHE 3 HB2 PHE 3 -13.637 -8.064 -1.973 30 HB3 PHE 3 HB1 PHE 3 -13.662 -6.486 -1.203 31 HD1 PHE 3 HD1 PHE 3 -15.086 -4.664 -2.223 32 HD2 PHE 3 HD2 PHE 3 -15.253 -8.710 -3.530 33 HE1 PHE 3 HE1 PHE 3 -17.274 -4.238 -3.253 34 HE2 PHE 3 HE2 PHE 3 -17.437 -8.286 -4.563 35 HZ PHE 3 HZ PHE 3 -18.452 -6.049 -4.423 36 H ALA 4 HN ALA 4 -12.534 -4.945 -1.094 37 HA ALA 4 HA ALA 4 -12.925 -2.533 -2.645 38 HB1 ALA 4 HB1 ALA 4 -12.581 -3.131 0.286 39 HB2 ALA 4 HB2 ALA 4 -14.047 -2.567 -0.582 40 HB3 ALA 4 HB3 ALA 4 -12.693 -1.506 -0.368 41 H GLU 5 HN GLU 5 -10.416 -4.273 -1.039 42 HA GLU 5 HA GLU 5 -8.452 -2.245 -1.089 43 HB2 GLU 5 HB2 GLU 5 -7.849 -5.183 -1.227 44 HB3 GLU 5 HB1 GLU 5 -6.912 -3.912 -0.464 45 HG2 GLU 5 HG2 GLU 5 -7.775 -4.862 1.383 46 HG3 GLU 5 HG1 GLU 5 -9.104 -3.752 1.030 47 H ASP 6 HN ASP 6 -9.588 -4.667 -3.302 48 HA ASP 6 HA ASP 6 -7.414 -4.441 -5.146 49 HB2 ASP 6 HB2 ASP 6 -8.890 -6.441 -5.122 50 HB3 ASP 6 HB1 ASP 6 -10.222 -5.435 -5.682 51 H LYS 7 HN LYS 7 -10.704 -3.149 -5.016 52 HA LYS 7 HA LYS 7 -10.508 -1.609 -7.351 53 HB2 LYS 7 HB2 LYS 7 -12.206 -1.064 -4.912 54 HB3 LYS 7 HB1 LYS 7 -12.402 -0.294 -6.479 55 HG2 LYS 7 HG2 LYS 7 -12.819 -2.587 -7.435 56 HG3 LYS 7 HG1 LYS 7 -12.868 -3.184 -5.771 57 HD2 LYS 7 HD2 LYS 7 -14.640 -1.532 -5.283 58 HD3 LYS 7 HD1 LYS 7 -14.638 -1.078 -6.988 59 HE2 LYS 7 HE2 LYS 7 -15.215 -3.464 -7.527 60 HE3 LYS 7 HE1 LYS 7 -15.352 -3.725 -5.780 61 HZ1 LYS 7 HZ1 LYS 7 -16.963 -1.794 -7.338 62 HZ2 LYS 7 HZ2 LYS 7 -17.144 -2.107 -5.694 63 HZ3 LYS 7 HZ3 LYS 7 -17.514 -3.286 -6.823 64 H THR 8 HN THR 8 -9.788 -0.777 -3.975 65 HA THR 8 HA THR 8 -9.041 1.889 -4.408 66 HB THR 8 HB THR 8 -8.040 -0.078 -2.319 67 HG1 THR 8 HG1 THR 8 -10.213 0.176 -2.066 68 HG21 THR 8 HG21 THR 8 -7.916 2.959 -2.321 69 HG22 THR 8 HG22 THR 8 -6.535 1.864 -2.456 70 HG23 THR 8 HG23 THR 8 -7.469 1.918 -0.970 71 H TYR 9 HN TYR 9 -7.202 -1.135 -4.595 72 HA TYR 9 HA TYR 9 -4.652 -0.067 -4.992 73 HB2 TYR 9 HB2 TYR 9 -5.212 -2.517 -4.559 74 HB3 TYR 9 HB1 TYR 9 -5.729 -2.603 -6.231 75 HD1 TYR 9 HD1 TYR 9 -4.121 -2.566 -8.053 76 HD2 TYR 9 HD2 TYR 9 -2.874 -2.275 -4.007 77 HE1 TYR 9 HE1 TYR 9 -1.806 -3.003 -8.736 78 HE2 TYR 9 HE2 TYR 9 -0.576 -2.714 -4.672 79 HH TYR 9 HH TYR 9 0.452 -2.600 -7.902 80 H LYS 10 HN LYS 10 -7.114 -1.086 -7.301 81 HA LYS 10 HA LYS 10 -5.679 -0.454 -9.640 82 HB2 LYS 10 HB2 LYS 10 -8.691 -0.527 -9.271 83 HB3 LYS 10 HB1 LYS 10 -7.833 -0.649 -10.799 84 HG2 LYS 10 HG2 LYS 10 -7.628 -2.655 -8.552 85 HG3 LYS 10 HG1 LYS 10 -8.679 -2.824 -9.955 86 HD2 LYS 10 HD2 LYS 10 -6.813 -3.002 -11.426 87 HD3 LYS 10 HD1 LYS 10 -5.685 -2.502 -10.168 88 HE2 LYS 10 HE2 LYS 10 -5.604 -4.939 -10.612 89 HE3 LYS 10 HE1 LYS 10 -6.042 -4.561 -8.954 90 HZ1 LYS 10 HZ1 LYS 10 -8.315 -5.112 -9.406 91 HZ2 LYS 10 HZ2 LYS 10 -7.365 -6.367 -9.957 92 HZ3 LYS 10 HZ3 LYS 10 -8.023 -5.273 -11.063 93 H TYR 11 HN TYR 11 -7.869 1.408 -7.637 94 HA TYR 11 HA TYR 11 -8.148 3.736 -9.197 95 HB2 TYR 11 HB2 TYR 11 -9.436 3.062 -7.053 96 HB3 TYR 11 HB1 TYR 11 -8.023 3.582 -6.192 97 HD1 TYR 11 HD1 TYR 11 -7.456 5.931 -5.960 98 HD2 TYR 11 HD2 TYR 11 -10.922 4.722 -8.092 99 HE1 TYR 11 HE1 TYR 11 -8.325 8.230 -5.836 100 HE2 TYR 11 HE2 TYR 11 -11.796 7.024 -7.976 101 HH TYR 11 HH TYR 11 -11.529 9.026 -6.549 102 H ILE 12 HN ILE 12 -5.949 2.969 -6.539 103 HA ILE 12 HA ILE 12 -4.571 5.461 -6.741 104 HB ILE 12 HB ILE 12 -4.003 2.985 -5.079 105 HG12 ILE 12 HG12 ILE 12 -6.148 4.127 -4.617 106 HG13 ILE 12 HG11 ILE 12 -5.048 4.180 -3.239 107 HG21 ILE 12 HG21 ILE 12 -1.940 4.253 -5.313 108 HG22 ILE 12 HG22 ILE 12 -2.572 4.404 -3.672 109 HG23 ILE 12 HG23 ILE 12 -2.774 5.727 -4.820 110 HD11 ILE 12 HD11 ILE 12 -6.210 6.297 -3.520 111 HD12 ILE 12 HD12 ILE 12 -5.605 6.443 -5.172 112 HD13 ILE 12 HD13 ILE 12 -4.487 6.505 -3.815 113 H CYS 13 HN CYS 13 -4.004 2.319 -8.080 114 HA CYS 13 HA CYS 13 -1.271 2.633 -8.707 115 HB2 CYS 13 HB2 CYS 13 -2.591 0.503 -8.779 116 HB3 CYS 13 HB1 CYS 13 -3.324 1.063 -10.266 117 HG CYS 13 HG CYS 13 -0.094 1.302 -10.652 118 H ARG 14 HN ARG 14 -4.072 4.000 -10.027 119 HA ARG 14 HA ARG 14 -3.189 4.649 -12.669 120 HB2 ARG 14 HB2 ARG 14 -5.173 6.134 -10.944 121 HB3 ARG 14 HB1 ARG 14 -5.019 6.273 -12.688 122 HG2 ARG 14 HG2 ARG 14 -5.737 3.959 -12.939 123 HG3 ARG 14 HG1 ARG 14 -5.800 3.826 -11.174 124 HD2 ARG 14 HD2 ARG 14 -7.505 5.560 -11.091 125 HD3 ARG 14 HD1 ARG 14 -7.474 5.687 -12.849 126 HE ARG 14 HE ARG 14 -8.002 3.105 -12.498 127 HH11 ARG 14 HH11 ARG 14 -9.459 5.971 -10.995 128 HH12 ARG 14 HH12 ARG 14 -11.007 5.313 -10.859 129 HH21 ARG 14 HH21 ARG 14 -10.151 2.157 -12.270 130 HH22 ARG 14 HH22 ARG 14 -11.419 3.055 -11.599 131 H ASN 15 HN ASN 15 -3.005 6.262 -9.561 132 HA ASN 15 HA ASN 15 -1.719 8.587 -10.793 133 HB2 ASN 15 HB2 ASN 15 -2.313 9.822 -8.753 134 HB3 ASN 15 HB1 ASN 15 -3.715 8.934 -9.350 135 HD21 ASN 15 HD21 ASN 15 -4.587 7.292 -8.205 136 HD22 ASN 15 HD22 ASN 15 -4.067 7.002 -6.574 137 H PHE 16 HN PHE 16 -0.579 5.989 -10.239 138 HA PHE 16 HA PHE 16 1.114 5.348 -8.337 139 HB2 PHE 16 HB2 PHE 16 1.151 4.228 -10.515 140 HB3 PHE 16 HB1 PHE 16 2.069 5.560 -11.196 141 HD1 PHE 16 HD1 PHE 16 4.457 5.837 -10.661 142 HD2 PHE 16 HD2 PHE 16 2.208 2.582 -9.084 143 HE1 PHE 16 HE1 PHE 16 6.541 4.714 -10.021 144 HE2 PHE 16 HE2 PHE 16 4.299 1.454 -8.440 145 HZ PHE 16 HZ PHE 16 6.466 2.517 -8.908 146 H SER 17 HN SER 17 2.119 8.018 -10.510 147 HA SER 17 HA SER 17 4.639 8.423 -9.378 148 HB2 SER 17 HB2 SER 17 3.876 9.296 -11.600 149 HB3 SER 17 HB1 SER 17 2.925 10.509 -10.747 150 HG SER 17 HG SER 17 4.976 11.138 -9.753 151 H ASN 18 HN ASN 18 1.514 9.533 -8.367 152 HA ASN 18 HA ASN 18 2.114 11.669 -6.663 153 HB2 ASN 18 HB2 ASN 18 -0.133 11.165 -7.312 154 HB3 ASN 18 HB1 ASN 18 -0.032 9.555 -6.634 155 HD21 ASN 18 HD21 ASN 18 -1.743 9.774 -5.398 156 HD22 ASN 18 HD22 ASN 18 -1.876 10.793 -4.009 157 H PHE 19 HN PHE 19 1.977 8.163 -6.032 158 HA PHE 19 HA PHE 19 2.979 8.711 -3.364 159 HB2 PHE 19 HB2 PHE 19 2.467 6.369 -2.809 160 HB3 PHE 19 HB1 PHE 19 1.053 7.219 -3.404 161 HD1 PHE 19 HD2 PHE 19 3.621 4.699 -4.257 162 HD2 PHE 19 HD1 PHE 19 -0.104 6.451 -5.319 163 HE1 PHE 19 HE2 PHE 19 3.215 2.864 -5.836 164 HE2 PHE 19 HE1 PHE 19 -0.511 4.615 -6.896 165 HZ PHE 19 HZ PHE 19 1.140 2.821 -7.156 166 H CYS 20 HN CYS 20 4.416 8.592 -6.109 167 HA CYS 20 HA CYS 20 6.428 6.598 -5.582 168 HB2 CYS 20 HB2 CYS 20 5.822 7.221 -7.901 169 HB3 CYS 20 HB1 CYS 20 6.310 8.878 -7.595 170 HG CYS 20 HG CYS 20 8.109 7.658 -9.290 171 H ASN 21 HN ASN 21 5.718 9.617 -4.505 172 HA ASN 21 HA ASN 21 8.405 9.995 -3.444 173 HB2 ASN 21 HB2 ASN 21 7.695 11.966 -4.735 174 HB3 ASN 21 HB1 ASN 21 6.198 12.050 -3.822 175 HD21 ASN 21 HD21 ASN 21 9.362 11.387 -2.320 176 HD22 ASN 21 HD22 ASN 21 9.403 12.888 -1.478 177 H VAL 22 HN VAL 22 7.730 8.268 -2.159 178 HA VAL 22 HA VAL 22 6.515 9.179 0.328 179 HB VAL 22 HB VAL 22 4.876 7.845 -1.299 180 HG11 VAL 22 HG11 VAL 22 6.255 6.098 -1.888 181 HG12 VAL 22 HG12 VAL 22 4.806 5.539 -1.048 182 HG13 VAL 22 HG13 VAL 22 6.365 5.558 -0.204 183 HG21 VAL 22 HG21 VAL 22 3.728 6.823 0.575 184 HG22 VAL 22 HG22 VAL 22 4.276 8.454 0.962 185 HG23 VAL 22 HG23 VAL 22 5.155 7.054 1.582 186 H ASP 23 HN ASP 23 7.017 7.389 2.057 187 HA ASP 23 HA ASP 23 9.734 6.452 1.589 188 HB2 ASP 23 HB2 ASP 23 8.980 7.628 3.828 189 HB3 ASP 23 HB1 ASP 23 8.195 6.094 4.171 190 H VAL 24 HN VAL 24 9.844 4.147 3.058 191 HA VAL 24 HA VAL 24 7.823 2.326 1.959 192 HB VAL 24 HB VAL 24 10.784 1.835 1.461 193 HG11 VAL 24 HG11 VAL 24 10.043 -0.000 0.069 194 HG12 VAL 24 HG12 VAL 24 8.369 0.388 0.418 195 HG13 VAL 24 HG13 VAL 24 9.427 -0.196 1.720 196 HG21 VAL 24 HG21 VAL 24 8.681 2.630 -0.533 197 HG22 VAL 24 HG22 VAL 24 10.354 2.199 -0.915 198 HG23 VAL 24 HG23 VAL 24 10.004 3.655 0.020 199 H VAL 25 HN VAL 25 10.858 2.708 3.661 200 HA VAL 25 HA VAL 25 10.554 0.270 5.095 201 HB VAL 25 HB VAL 25 12.607 0.964 6.306 202 HG11 VAL 25 HG11 VAL 25 12.732 -0.416 4.285 203 HG12 VAL 25 HG12 VAL 25 14.089 0.709 4.299 204 HG13 VAL 25 HG13 VAL 25 12.698 1.015 3.265 205 HG21 VAL 25 HG21 VAL 25 13.899 2.873 5.440 206 HG22 VAL 25 HG22 VAL 25 12.370 3.382 6.160 207 HG23 VAL 25 HG23 VAL 25 12.538 3.311 4.407 208 H GLU 26 HN GLU 26 9.869 3.637 5.756 209 HA GLU 26 HA GLU 26 9.235 3.138 8.484 210 HB2 GLU 26 HB2 GLU 26 8.994 5.400 6.591 211 HB3 GLU 26 HB1 GLU 26 8.175 5.476 8.125 212 HG2 GLU 26 HG2 GLU 26 10.509 4.958 9.127 213 HG3 GLU 26 HG1 GLU 26 11.118 5.357 7.522 214 H ILE 27 HN ILE 27 7.833 2.116 5.858 215 HA ILE 27 HA ILE 27 5.041 2.361 6.858 216 HB ILE 27 HB ILE 27 6.183 1.720 4.119 217 HG12 ILE 27 HG12 ILE 27 4.400 3.975 5.057 218 HG13 ILE 27 HG11 ILE 27 6.115 4.090 4.691 219 HG21 ILE 27 HG21 ILE 27 3.904 1.488 3.259 220 HG22 ILE 27 HG22 ILE 27 3.276 1.578 4.902 221 HG23 ILE 27 HG23 ILE 27 4.309 0.232 4.427 222 HD11 ILE 27 HD11 ILE 27 4.736 4.982 2.901 223 HD12 ILE 27 HD12 ILE 27 3.942 3.413 2.720 224 HD13 ILE 27 HD13 ILE 27 5.667 3.583 2.374 225 H LEU 28 HN LEU 28 7.558 0.103 6.017 226 HA LEU 28 HA LEU 28 6.177 -2.259 5.947 227 HB2 LEU 28 HB2 LEU 28 8.932 -1.841 7.102 228 HB3 LEU 28 HB1 LEU 28 8.265 -3.386 6.621 229 HG LEU 28 HG LEU 28 8.792 -1.067 4.768 230 HD11 LEU 28 HD11 LEU 28 10.850 -2.030 5.622 231 HD12 LEU 28 HD12 LEU 28 10.619 -2.449 3.923 232 HD13 LEU 28 HD13 LEU 28 10.291 -3.642 5.179 233 HD21 LEU 28 HD21 LEU 28 7.942 -3.907 4.223 234 HD22 LEU 28 HD22 LEU 28 8.383 -2.716 3.004 235 HD23 LEU 28 HD23 LEU 28 6.952 -2.461 3.999 236 HA PRO 29 HA PRO 29 6.463 -3.130 10.701 237 HB2 PRO 29 HB2 PRO 29 7.055 -1.141 12.430 238 HB3 PRO 29 HB1 PRO 29 8.315 -2.109 11.649 239 HG2 PRO 29 HG2 PRO 29 7.289 0.613 10.919 240 HG3 PRO 29 HG1 PRO 29 8.964 0.045 11.033 241 HD2 PRO 29 HD2 PRO 29 7.672 0.245 8.668 242 HD3 PRO 29 HD1 PRO 29 8.886 -1.008 8.990 243 H TYR 30 HN TYR 30 4.838 -0.810 9.132 244 HA TYR 30 HA TYR 30 2.886 -0.254 11.226 245 HB2 TYR 30 HB2 TYR 30 3.660 0.975 8.643 246 HB3 TYR 30 HB1 TYR 30 2.068 1.342 9.227 247 HD1 TYR 30 HD2 TYR 30 5.672 1.639 9.860 248 HD2 TYR 30 HD1 TYR 30 1.799 2.842 11.083 249 HE1 TYR 30 HE2 TYR 30 6.671 3.418 11.248 250 HE2 TYR 30 HE1 TYR 30 2.766 4.607 12.460 251 HH TYR 30 HH TYR 30 6.031 5.539 12.211 252 H LEU 31 HN LEU 31 3.469 -2.286 8.572 253 HA LEU 31 HA LEU 31 0.624 -2.876 8.314 254 HB2 LEU 31 HB2 LEU 31 2.899 -3.217 6.369 255 HB3 LEU 31 HB1 LEU 31 1.379 -4.055 6.188 256 HG LEU 31 HG LEU 31 0.215 -1.888 5.871 257 HD11 LEU 31 HD11 LEU 31 1.559 -0.470 7.227 258 HD12 LEU 31 HD12 LEU 31 1.428 0.146 5.572 259 HD13 LEU 31 HD13 LEU 31 2.907 -0.648 6.106 260 HD21 LEU 31 HD21 LEU 31 1.187 -1.314 3.719 261 HD22 LEU 31 HD22 LEU 31 1.100 -3.065 3.939 262 HD23 LEU 31 HD23 LEU 31 2.639 -2.217 4.154 263 HA PRO 32 HA PRO 32 2.395 -6.484 10.576 264 HB2 PRO 32 HB2 PRO 32 -0.345 -6.726 11.596 265 HB3 PRO 32 HB1 PRO 32 1.161 -6.540 12.495 266 HG2 PRO 32 HG2 PRO 32 -0.638 -4.558 12.372 267 HG3 PRO 32 HG1 PRO 32 1.103 -4.225 12.373 268 HD2 PRO 32 HD2 PRO 32 -0.801 -4.305 10.059 269 HD3 PRO 32 HD1 PRO 32 0.460 -3.108 10.440 270 H CYS 33 HN CYS 33 0.075 -6.070 8.257 271 HA CYS 33 HA CYS 33 -0.905 -8.775 8.110 272 HB2 CYS 33 HB2 CYS 33 -2.254 -6.761 7.400 273 HB3 CYS 33 HB1 CYS 33 -1.158 -6.566 6.043 274 HG CYS 33 HG CYS 33 -3.754 -7.736 5.373 275 H LEU 34 HN LEU 34 1.933 -7.127 7.101 276 HA LEU 34 HA LEU 34 2.492 -9.168 5.105 277 HB2 LEU 34 HB2 LEU 34 3.729 -6.510 5.643 278 HB3 LEU 34 HB1 LEU 34 4.532 -7.741 4.696 279 HG LEU 34 HG LEU 34 2.362 -7.761 3.314 280 HD11 LEU 34 HD11 LEU 34 1.220 -5.631 3.136 281 HD12 LEU 34 HD12 LEU 34 2.148 -5.022 4.505 282 HD13 LEU 34 HD13 LEU 34 1.011 -6.355 4.734 283 HD21 LEU 34 HD21 LEU 34 4.332 -5.519 3.168 284 HD22 LEU 34 HD22 LEU 34 3.292 -6.116 1.841 285 HD23 LEU 34 HD23 LEU 34 4.499 -7.177 2.589 286 H THR 35 HN THR 35 3.935 -10.663 5.482 287 HA THR 35 HA THR 35 4.731 -11.245 8.069 288 HB THR 35 HB THR 35 6.156 -12.384 5.756 289 HG1 THR 35 HG1 THR 35 4.370 -12.423 4.666 290 HG21 THR 35 HG21 THR 35 6.264 -13.350 8.004 291 HG22 THR 35 HG22 THR 35 5.500 -14.462 6.859 292 HG23 THR 35 HG23 THR 35 4.507 -13.533 7.989 293 H ALA 36 HN ALA 36 6.911 -11.377 8.837 294 HA ALA 36 HA ALA 36 8.668 -9.272 8.473 295 HB1 ALA 36 HB1 ALA 36 8.736 -10.774 10.402 296 HB2 ALA 36 HB2 ALA 36 10.318 -10.723 9.617 297 HB3 ALA 36 HB3 ALA 36 9.249 -12.098 9.357 298 H ARG 37 HN ARG 37 8.471 -12.367 6.925 299 HA ARG 37 HA ARG 37 10.769 -12.453 5.378 300 HB2 ARG 37 HB2 ARG 37 7.993 -13.513 4.905 301 HB3 ARG 37 HB1 ARG 37 9.412 -13.974 3.978 302 HG2 ARG 37 HG2 ARG 37 10.406 -15.032 5.850 303 HG3 ARG 37 HG1 ARG 37 9.216 -14.339 6.955 304 HD2 ARG 37 HD2 ARG 37 8.810 -16.734 6.429 305 HD3 ARG 37 HD1 ARG 37 7.468 -15.678 6.004 306 HE ARG 37 HE ARG 37 8.981 -15.868 3.739 307 HH11 ARG 37 HH11 ARG 37 7.408 -18.285 5.817 308 HH12 ARG 37 HH12 ARG 37 6.987 -19.290 4.529 309 HH21 ARG 37 HH21 ARG 37 8.383 -17.240 2.005 310 HH22 ARG 37 HH22 ARG 37 7.560 -18.691 2.313 311 H ASP 38 HN ASP 38 7.592 -11.038 4.748 312 HA ASP 38 HA ASP 38 8.182 -10.297 2.052 313 HB2 ASP 38 HB2 ASP 38 5.916 -9.595 3.907 314 HB3 ASP 38 HB1 ASP 38 5.986 -9.011 2.251 315 H GLN 39 HN GLN 39 7.889 -8.592 5.119 316 HA GLN 39 HA GLN 39 8.396 -5.991 4.220 317 HB2 GLN 39 HB2 GLN 39 9.098 -7.257 6.877 318 HB3 GLN 39 HB1 GLN 39 9.173 -5.534 6.556 319 HG2 GLN 39 HG2 GLN 39 6.752 -5.502 6.173 320 HG3 GLN 39 HG1 GLN 39 6.658 -7.229 6.500 321 HE21 GLN 39 HE21 GLN 39 5.340 -7.019 8.290 322 HE22 GLN 39 HE22 GLN 39 5.878 -6.312 9.764 323 H ASP 40 HN ASP 40 10.572 -8.509 5.258 324 HA ASP 40 HA ASP 40 13.071 -7.355 5.281 325 HB2 ASP 40 HB2 ASP 40 12.686 -9.660 5.914 326 HB3 ASP 40 HB1 ASP 40 12.238 -10.075 4.271 327 H ARG 41 HN ARG 41 11.414 -8.743 2.537 328 HA ARG 41 HA ARG 41 13.542 -8.285 0.674 329 HB2 ARG 41 HB2 ARG 41 10.651 -8.856 0.055 330 HB3 ARG 41 HB1 ARG 41 12.041 -9.165 -0.984 331 HG2 ARG 41 HG2 ARG 41 11.508 -10.496 1.661 332 HG3 ARG 41 HG1 ARG 41 11.200 -11.207 0.081 333 HD2 ARG 41 HD2 ARG 41 13.462 -11.447 -0.387 334 HD3 ARG 41 HD1 ARG 41 13.947 -10.212 0.772 335 HE ARG 41 HE ARG 41 13.835 -11.675 2.437 336 HH11 ARG 41 HH11 ARG 41 12.579 -13.226 -0.498 337 HH12 ARG 41 HH12 ARG 41 12.702 -14.817 0.073 338 HH21 ARG 41 HH21 ARG 41 14.030 -13.902 3.259 339 HH22 ARG 41 HH22 ARG 41 13.570 -15.214 2.268 340 H LEU 42 HN LEU 42 10.747 -6.488 1.630 341 HA LEU 42 HA LEU 42 10.855 -4.660 -0.568 342 HB2 LEU 42 HB2 LEU 42 9.485 -4.464 2.108 343 HB3 LEU 42 HB1 LEU 42 9.217 -3.374 0.757 344 HG LEU 42 HG LEU 42 8.631 -6.339 0.703 345 HD11 LEU 42 HD11 LEU 42 7.142 -5.226 2.243 346 HD12 LEU 42 HD12 LEU 42 6.277 -5.674 0.769 347 HD13 LEU 42 HD13 LEU 42 6.781 -4.003 1.032 348 HD21 LEU 42 HD21 LEU 42 9.133 -5.419 -1.496 349 HD22 LEU 42 HD22 LEU 42 7.950 -4.132 -1.237 350 HD23 LEU 42 HD23 LEU 42 7.419 -5.802 -1.353 351 H ARG 43 HN ARG 43 12.035 -4.720 2.728 352 HA ARG 43 HA ARG 43 13.155 -2.123 2.825 353 HB2 ARG 43 HB2 ARG 43 12.798 -3.610 4.783 354 HB3 ARG 43 HB1 ARG 43 14.087 -4.643 4.192 355 HG2 ARG 43 HG2 ARG 43 15.603 -2.624 4.343 356 HG3 ARG 43 HG1 ARG 43 14.300 -1.839 5.240 357 HD2 ARG 43 HD2 ARG 43 15.832 -2.854 6.801 358 HD3 ARG 43 HD1 ARG 43 14.286 -3.720 6.799 359 HE ARG 43 HE ARG 43 16.660 -4.627 5.333 360 HH11 ARG 43 HH11 ARG 43 13.867 -5.394 7.438 361 HH12 ARG 43 HH12 ARG 43 14.159 -7.065 7.438 362 HH21 ARG 43 HH21 ARG 43 16.994 -6.954 5.287 363 HH22 ARG 43 HH22 ARG 43 15.929 -7.990 6.091 364 H ALA 44 HN ALA 44 14.404 -5.305 1.937 365 HA ALA 44 HA ALA 44 17.035 -4.642 1.371 366 HB1 ALA 44 HB1 ALA 44 16.222 -6.946 1.544 367 HB2 ALA 44 HB2 ALA 44 17.094 -6.686 0.033 368 HB3 ALA 44 HB3 ALA 44 15.331 -6.743 0.035 369 H THR 45 HN THR 45 14.299 -4.871 -0.907 370 HA THR 45 HA THR 45 15.720 -4.068 -3.175 371 HB THR 45 HB THR 45 12.760 -3.589 -2.706 372 HG1 THR 45 HG1 THR 45 13.067 -5.714 -2.242 373 HG21 THR 45 HG21 THR 45 14.345 -4.205 -5.211 374 HG22 THR 45 HG22 THR 45 13.693 -2.628 -4.783 375 HG23 THR 45 HG23 THR 45 12.602 -3.970 -5.130 376 H CYS 46 HN CYS 46 14.216 -2.196 -0.653 377 HA CYS 46 HA CYS 46 14.011 0.363 -1.788 378 HB2 CYS 46 HB2 CYS 46 13.169 -0.574 0.432 379 HB3 CYS 46 HB1 CYS 46 14.760 -0.267 1.039 380 HG CYS 46 HG CYS 46 13.580 2.539 -0.351 381 H THR 47 HN THR 47 16.662 -1.350 -0.376 382 HA THR 47 HA THR 47 18.389 0.984 -0.804 383 HB THR 47 HB THR 47 18.379 -0.009 1.501 384 HG1 THR 47 HG1 THR 47 20.860 -0.026 0.081 385 HG21 THR 47 HG21 THR 47 19.644 -2.093 1.906 386 HG22 THR 47 HG22 THR 47 19.802 -2.317 0.165 387 HG23 THR 47 HG23 THR 47 18.209 -2.383 0.920 388 H LEU 48 HN LEU 48 17.477 -1.521 -2.574 389 HA LEU 48 HA LEU 48 20.146 -2.129 -3.633 390 HB2 LEU 48 HB2 LEU 48 17.485 -3.439 -4.208 391 HB3 LEU 48 HB1 LEU 48 18.987 -3.869 -4.991 392 HG LEU 48 HG LEU 48 18.365 -4.215 -2.056 393 HD11 LEU 48 HD11 LEU 48 18.409 -6.593 -2.555 394 HD12 LEU 48 HD12 LEU 48 18.652 -6.234 -4.263 395 HD13 LEU 48 HD13 LEU 48 17.145 -5.771 -3.471 396 HD21 LEU 48 HD21 LEU 48 20.797 -5.022 -3.648 397 HD22 LEU 48 HD22 LEU 48 20.471 -5.445 -1.969 398 HD23 LEU 48 HD23 LEU 48 20.729 -3.762 -2.415 399 H SER 49 HN SER 49 16.889 -1.471 -4.933 400 HA SER 49 HA SER 49 18.140 -0.323 -7.262 401 HB2 SER 49 HB2 SER 49 15.695 -0.354 -8.033 402 HB3 SER 49 HB1 SER 49 16.472 -1.922 -7.786 403 HG SER 49 HG SER 49 14.412 -1.842 -6.846 404 H GLY 50 HN GLY 50 15.316 0.514 -5.225 405 HA2 GLY 50 HA2 GLY 50 16.182 2.883 -4.251 406 HA3 GLY 50 HA1 GLY 50 15.482 3.251 -5.829 407 H ASN 51 HN ASN 51 14.003 4.449 -4.229 408 HA ASN 51 HA ASN 51 12.252 2.874 -2.717 409 HB2 ASN 51 HB2 ASN 51 12.562 5.758 -3.204 410 HB3 ASN 51 HB1 ASN 51 10.922 5.209 -2.909 411 HD21 ASN 51 HD21 ASN 51 10.682 6.077 -0.907 412 HD22 ASN 51 HD22 ASN 51 11.702 5.671 0.411 413 H ARG 52 HN ARG 52 11.855 4.614 -5.785 414 HA ARG 52 HA ARG 52 9.150 4.057 -6.175 415 HB2 ARG 52 HB2 ARG 52 10.256 5.662 -7.578 416 HB3 ARG 52 HB1 ARG 52 11.361 4.441 -8.191 417 HG2 ARG 52 HG2 ARG 52 9.440 3.297 -9.265 418 HG3 ARG 52 HG1 ARG 52 8.395 4.606 -8.711 419 HD2 ARG 52 HD2 ARG 52 9.703 6.205 -9.992 420 HD3 ARG 52 HD1 ARG 52 10.794 4.917 -10.503 421 HE ARG 52 HE ARG 52 8.206 4.196 -11.236 422 HH11 ARG 52 HH11 ARG 52 10.644 6.599 -12.106 423 HH12 ARG 52 HH12 ARG 52 10.041 6.829 -13.694 424 HH21 ARG 52 HH21 ARG 52 7.408 4.477 -13.371 425 HH22 ARG 52 HH22 ARG 52 8.155 5.562 -14.446 426 H ASP 53 HN ASP 53 11.964 2.216 -7.118 427 HA ASP 53 HA ASP 53 10.573 0.226 -8.536 428 HB2 ASP 53 HB2 ASP 53 12.991 0.654 -8.785 429 HB3 ASP 53 HB1 ASP 53 13.250 -0.002 -7.174 430 H THR 54 HN THR 54 11.578 0.453 -5.146 431 HA THR 54 HA THR 54 10.526 -2.149 -4.670 432 HB THR 54 HB THR 54 12.476 -1.213 -3.318 433 HG1 THR 54 HG1 THR 54 11.460 -2.032 -1.234 434 HG21 THR 54 HG21 THR 54 10.255 0.294 -1.956 435 HG22 THR 54 HG22 THR 54 11.614 0.996 -2.832 436 HG23 THR 54 HG23 THR 54 11.888 0.132 -1.313 437 H LEU 55 HN LEU 55 9.253 1.088 -4.606 438 HA LEU 55 HA LEU 55 6.916 0.718 -3.109 439 HB2 LEU 55 HB2 LEU 55 7.291 2.370 -5.624 440 HB3 LEU 55 HB1 LEU 55 5.863 2.448 -4.620 441 HG LEU 55 HG LEU 55 8.655 3.250 -3.755 442 HD11 LEU 55 HD11 LEU 55 7.854 5.513 -3.867 443 HD12 LEU 55 HD12 LEU 55 6.239 4.990 -4.162 444 HD13 LEU 55 HD13 LEU 55 7.460 4.784 -5.435 445 HD21 LEU 55 HD21 LEU 55 6.033 3.653 -2.470 446 HD22 LEU 55 HD22 LEU 55 7.620 4.135 -1.858 447 HD23 LEU 55 HD23 LEU 55 7.190 2.405 -1.957 448 H TRP 56 HN TRP 56 7.595 0.016 -6.484 449 HA TRP 56 HA TRP 56 5.023 -0.956 -7.056 450 HB2 TRP 56 HB2 TRP 56 6.545 -0.363 -8.877 451 HB3 TRP 56 HB1 TRP 56 7.648 -1.653 -8.407 452 HD1 TRP 56 HD1 TRP 56 7.441 -3.672 -9.954 453 HE1 TRP 56 HE1 TRP 56 5.555 -4.834 -11.252 454 HE3 TRP 56 HE3 TRP 56 3.544 -0.614 -8.649 455 HZ2 TRP 56 HZ2 TRP 56 2.784 -4.514 -11.658 456 HZ3 TRP 56 HZ3 TRP 56 1.309 -1.124 -9.531 457 HH2 TRP 56 HH2 TRP 56 0.939 -3.029 -10.998 458 H HIS 57 HN HIS 57 7.937 -2.581 -5.954 459 HA HIS 57 HA HIS 57 6.870 -5.193 -5.865 460 HB2 HIS 57 HB2 HIS 57 9.096 -3.908 -4.277 461 HB3 HIS 57 HB1 HIS 57 8.634 -5.588 -4.051 462 HD1 HIS 57 HD1 HIS 57 10.730 -3.405 -6.214 463 HD2 HIS 57 HD2 HIS 57 9.068 -7.215 -6.358 464 HE1 HIS 57 HE1 HIS 57 12.029 -4.656 -7.929 465 H LEU 58 HN LEU 58 6.979 -2.636 -3.477 466 HA LEU 58 HA LEU 58 5.817 -3.798 -1.252 467 HB2 LEU 58 HB2 LEU 58 6.839 -1.604 -1.284 468 HB3 LEU 58 HB1 LEU 58 5.630 -1.017 -2.382 469 HG LEU 58 HG LEU 58 3.935 -1.279 -0.534 470 HD11 LEU 58 HD11 LEU 58 5.061 -2.901 0.836 471 HD12 LEU 58 HD12 LEU 58 4.775 -1.428 1.762 472 HD13 LEU 58 HD13 LEU 58 6.386 -1.777 1.135 473 HD21 LEU 58 HD21 LEU 58 4.671 0.734 0.678 474 HD22 LEU 58 HD22 LEU 58 4.871 0.887 -1.064 475 HD23 LEU 58 HD23 LEU 58 6.272 0.575 -0.050 476 H PHE 59 HN PHE 59 4.190 -1.842 -3.695 477 HA PHE 59 HA PHE 59 1.608 -2.475 -2.841 478 HB2 PHE 59 HB2 PHE 59 2.705 -1.249 -5.330 479 HB3 PHE 59 HB1 PHE 59 1.004 -1.674 -5.283 480 HD1 PHE 59 HD1 PHE 59 3.612 0.305 -3.523 481 HD2 PHE 59 HD2 PHE 59 -0.543 -0.297 -4.215 482 HE1 PHE 59 HE1 PHE 59 3.111 2.388 -2.323 483 HE2 PHE 59 HE2 PHE 59 -1.050 1.786 -3.019 484 HZ PHE 59 HZ PHE 59 0.775 3.130 -2.067 485 H ASN 60 HN ASN 60 3.645 -4.068 -5.213 486 HA ASN 60 HA ASN 60 1.676 -5.842 -6.197 487 HB2 ASN 60 HB2 ASN 60 3.878 -5.375 -7.312 488 HB3 ASN 60 HB1 ASN 60 4.667 -6.310 -6.052 489 HD21 ASN 60 HD21 ASN 60 2.668 -6.438 -8.884 490 HD22 ASN 60 HD22 ASN 60 2.761 -8.135 -9.124 491 H THR 61 HN THR 61 3.442 -5.769 -3.262 492 HA THR 61 HA THR 61 2.804 -8.535 -2.643 493 HB THR 61 HB THR 61 4.265 -6.491 -0.934 494 HG1 THR 61 HG1 THR 61 5.407 -6.843 -2.819 495 HG21 THR 61 HG21 THR 61 4.183 -9.518 -0.822 496 HG22 THR 61 HG22 THR 61 3.376 -8.437 0.312 497 HG23 THR 61 HG23 THR 61 5.139 -8.477 0.230 498 H LEU 62 HN LEU 62 1.934 -5.222 -1.653 499 HA LEU 62 HA LEU 62 0.206 -5.774 0.432 500 HB2 LEU 62 HB2 LEU 62 0.533 -3.565 -1.500 501 HB3 LEU 62 HB1 LEU 62 -1.003 -3.644 -0.669 502 HG LEU 62 HG LEU 62 0.099 -3.456 1.474 503 HD11 LEU 62 HD11 LEU 62 2.473 -3.014 1.682 504 HD12 LEU 62 HD12 LEU 62 2.673 -3.323 -0.048 505 HD13 LEU 62 HD13 LEU 62 2.133 -4.615 1.027 506 HD21 LEU 62 HD21 LEU 62 0.948 -1.172 1.277 507 HD22 LEU 62 HD22 LEU 62 -0.526 -1.409 0.337 508 HD23 LEU 62 HD23 LEU 62 1.038 -1.362 -0.473 509 H GLN 63 HN GLN 63 -0.412 -5.790 -3.032 510 HA GLN 63 HA GLN 63 -3.214 -6.191 -2.802 511 HB2 GLN 63 HB2 GLN 63 -3.187 -6.769 -5.170 512 HB3 GLN 63 HB1 GLN 63 -2.199 -5.351 -4.868 513 HG2 GLN 63 HG2 GLN 63 -0.183 -6.662 -5.035 514 HG3 GLN 63 HG1 GLN 63 -1.126 -8.143 -5.185 515 HE21 GLN 63 HE21 GLN 63 -0.052 -5.254 -6.825 516 HE22 GLN 63 HE22 GLN 63 -0.545 -5.763 -8.385 517 H ARG 64 HN ARG 64 -0.795 -8.238 -1.913 518 HA ARG 64 HA ARG 64 -2.234 -10.723 -2.575 519 HB2 ARG 64 HB2 ARG 64 0.426 -10.400 -1.189 520 HB3 ARG 64 HB1 ARG 64 -0.245 -11.864 -1.880 521 HG2 ARG 64 HG2 ARG 64 0.022 -10.951 -4.109 522 HG3 ARG 64 HG1 ARG 64 0.632 -9.442 -3.425 523 HD2 ARG 64 HD2 ARG 64 2.447 -10.729 -2.338 524 HD3 ARG 64 HD1 ARG 64 1.877 -12.167 -3.182 525 HE ARG 64 HE ARG 64 2.510 -9.844 -4.784 526 HH11 ARG 64 HH11 ARG 64 3.575 -13.008 -3.543 527 HH12 ARG 64 HH12 ARG 64 4.771 -13.229 -4.725 528 HH21 ARG 64 HH21 ARG 64 4.198 -10.133 -6.390 529 HH22 ARG 64 HH22 ARG 64 5.138 -11.552 -6.405 530 H ARG 65 HN ARG 65 -2.325 -8.368 -0.295 531 HA ARG 65 HA ARG 65 -2.692 -10.257 1.911 532 HB2 ARG 65 HB2 ARG 65 -1.881 -7.355 2.206 533 HB3 ARG 65 HB1 ARG 65 -1.905 -8.584 3.452 534 HG2 ARG 65 HG2 ARG 65 0.045 -8.317 1.165 535 HG3 ARG 65 HG1 ARG 65 0.360 -8.134 2.887 536 HD2 ARG 65 HD2 ARG 65 -0.414 -10.687 1.480 537 HD3 ARG 65 HD1 ARG 65 1.208 -10.264 2.004 538 HE ARG 65 HE ARG 65 0.119 -10.214 4.324 539 HH11 ARG 65 HH11 ARG 65 -0.992 -12.381 1.736 540 HH12 ARG 65 HH12 ARG 65 -1.373 -13.651 2.801 541 HH21 ARG 65 HH21 ARG 65 -0.377 -12.006 5.759 542 HH22 ARG 65 HH22 ARG 65 -0.982 -13.454 5.087 543 HA PRO 66 HA PRO 66 -6.822 -8.512 1.617 544 HB2 PRO 66 HB2 PRO 66 -7.450 -9.674 4.207 545 HB3 PRO 66 HB1 PRO 66 -8.050 -10.137 2.618 546 HG2 PRO 66 HG2 PRO 66 -6.350 -11.670 4.117 547 HG3 PRO 66 HG1 PRO 66 -6.474 -11.763 2.356 548 HD2 PRO 66 HD2 PRO 66 -4.401 -10.452 4.052 549 HD3 PRO 66 HD1 PRO 66 -4.251 -11.265 2.477 550 H GLY 67 HN GLY 67 -7.805 -6.718 2.352 551 HA2 GLY 67 HA2 GLY 67 -8.216 -4.803 3.529 552 HA3 GLY 67 HA1 GLY 67 -7.725 -5.695 4.953 553 H TRP 68 HN TRP 68 -5.469 -5.194 2.306 554 HA TRP 68 HA TRP 68 -3.459 -4.259 3.967 555 HB2 TRP 68 HB2 TRP 68 -2.183 -3.581 1.979 556 HB3 TRP 68 HB1 TRP 68 -2.877 -5.170 1.762 557 HD1 TRP 68 HD1 TRP 68 -4.607 -5.455 -0.256 558 HE1 TRP 68 HE1 TRP 68 -5.236 -3.949 -2.257 559 HE3 TRP 68 HE3 TRP 68 -2.521 -1.035 1.299 560 HZ2 TRP 68 HZ2 TRP 68 -4.913 -1.272 -3.056 561 HZ3 TRP 68 HZ3 TRP 68 -2.751 0.950 -0.167 562 HH2 TRP 68 HH2 TRP 68 -3.908 0.813 -2.284 563 H VAL 69 HN VAL 69 -5.878 -2.445 2.334 564 HA VAL 69 HA VAL 69 -4.732 0.092 2.284 565 HB VAL 69 HB VAL 69 -7.675 -0.456 2.668 566 HG11 VAL 69 HG11 VAL 69 -7.111 1.873 2.951 567 HG12 VAL 69 HG12 VAL 69 -7.955 1.645 1.414 568 HG13 VAL 69 HG13 VAL 69 -6.209 1.867 1.437 569 HG21 VAL 69 HG21 VAL 69 -7.845 -0.444 0.217 570 HG22 VAL 69 HG22 VAL 69 -6.855 -1.781 0.802 571 HG23 VAL 69 HG23 VAL 69 -6.088 -0.355 0.104 572 H GLU 70 HN GLU 70 -6.666 -1.440 4.868 573 HA GLU 70 HA GLU 70 -6.895 0.831 6.428 574 HB2 GLU 70 HB2 GLU 70 -7.119 -2.098 6.956 575 HB3 GLU 70 HB1 GLU 70 -7.327 -0.914 8.236 576 HG2 GLU 70 HG2 GLU 70 -8.905 -0.931 5.673 577 HG3 GLU 70 HG1 GLU 70 -9.452 -1.670 7.177 578 H TYR 71 HN TYR 71 -4.419 -1.681 6.335 579 HA TYR 71 HA TYR 71 -3.052 -0.748 8.646 580 HB2 TYR 71 HB2 TYR 71 -2.103 -2.508 6.378 581 HB3 TYR 71 HB1 TYR 71 -1.347 -2.319 7.951 582 HD1 TYR 71 HD1 TYR 71 -2.611 -3.139 10.001 583 HD2 TYR 71 HD2 TYR 71 -3.803 -4.092 6.040 584 HE1 TYR 71 HE1 TYR 71 -3.944 -5.026 10.852 585 HE2 TYR 71 HE2 TYR 71 -5.141 -5.969 6.884 586 HH TYR 71 HH TYR 71 -5.910 -6.337 10.129 587 H PHE 72 HN PHE 72 -2.905 -0.281 5.195 588 HA PHE 72 HA PHE 72 -0.441 1.037 5.051 589 HB2 PHE 72 HB2 PHE 72 -1.600 -0.029 3.136 590 HB3 PHE 72 HB1 PHE 72 -2.808 1.246 3.182 591 HD1 PHE 72 HD1 PHE 72 0.905 0.892 3.020 592 HD2 PHE 72 HD2 PHE 72 -2.563 2.935 1.636 593 HE1 PHE 72 HE1 PHE 72 2.297 2.183 1.462 594 HE2 PHE 72 HE2 PHE 72 -1.173 4.240 0.078 595 HZ PHE 72 HZ PHE 72 1.261 3.864 -0.008 596 H ILE 73 HN ILE 73 -3.743 2.267 5.449 597 HA ILE 73 HA ILE 73 -3.171 5.004 5.270 598 HB ILE 73 HB ILE 73 -5.305 3.615 6.929 599 HG12 ILE 73 HG12 ILE 73 -5.463 4.974 4.228 600 HG13 ILE 73 HG11 ILE 73 -5.378 3.237 4.482 601 HG21 ILE 73 HG21 ILE 73 -5.122 6.546 6.183 602 HG22 ILE 73 HG22 ILE 73 -4.904 5.885 7.801 603 HG23 ILE 73 HG23 ILE 73 -6.478 5.774 7.008 604 HD11 ILE 73 HD11 ILE 73 -7.593 5.049 5.399 605 HD12 ILE 73 HD12 ILE 73 -7.524 3.302 5.637 606 HD13 ILE 73 HD13 ILE 73 -7.639 3.968 4.007 607 H ALA 74 HN ALA 74 -2.920 2.831 8.029 608 HA ALA 74 HA ALA 74 -2.332 4.810 9.963 609 HB1 ALA 74 HB1 ALA 74 -1.564 2.950 11.353 610 HB2 ALA 74 HB2 ALA 74 -1.572 1.886 9.945 611 HB3 ALA 74 HB3 ALA 74 -3.087 2.549 10.555 612 H ALA 75 HN ALA 75 -0.435 3.019 7.676 613 HA ALA 75 HA ALA 75 2.128 3.453 8.688 614 HB1 ALA 75 HB1 ALA 75 2.930 2.845 6.506 615 HB2 ALA 75 HB2 ALA 75 1.334 3.122 5.808 616 HB3 ALA 75 HB3 ALA 75 1.577 1.799 6.945 617 H LEU 76 HN LEU 76 0.453 5.304 6.017 618 HA LEU 76 HA LEU 76 2.444 7.173 5.758 619 HB2 LEU 76 HB2 LEU 76 -0.496 7.321 5.261 620 HB3 LEU 76 HB1 LEU 76 0.614 8.602 4.820 621 HG LEU 76 HG LEU 76 0.155 7.498 2.934 622 HD11 LEU 76 HD11 LEU 76 2.505 7.886 3.094 623 HD12 LEU 76 HD12 LEU 76 2.214 6.404 2.184 624 HD13 LEU 76 HD13 LEU 76 2.750 6.312 3.857 625 HD21 LEU 76 HD21 LEU 76 0.558 4.845 4.254 626 HD22 LEU 76 HD22 LEU 76 0.257 5.101 2.533 627 HD23 LEU 76 HD23 LEU 76 -0.959 5.572 3.716 628 H ARG 77 HN ARG 77 -0.367 7.128 7.857 629 HA ARG 77 HA ARG 77 -0.102 9.809 8.701 630 HB2 ARG 77 HB2 ARG 77 -2.186 8.520 8.894 631 HB3 ARG 77 HB1 ARG 77 -1.439 7.492 10.098 632 HG2 ARG 77 HG2 ARG 77 -1.335 9.268 11.680 633 HG3 ARG 77 HG1 ARG 77 -1.801 10.457 10.461 634 HD2 ARG 77 HD2 ARG 77 -3.683 9.879 11.917 635 HD3 ARG 77 HD1 ARG 77 -3.976 9.412 10.243 636 HE ARG 77 HE ARG 77 -2.894 7.218 11.555 637 HH11 ARG 77 HH11 ARG 77 -5.909 9.090 11.540 638 HH12 ARG 77 HH12 ARG 77 -6.832 7.848 12.245 639 HH21 ARG 77 HH21 ARG 77 -4.187 5.523 12.527 640 HH22 ARG 77 HH22 ARG 77 -5.853 5.792 12.778 641 H GLY 78 HN GLY 78 1.187 6.789 9.936 642 HA2 GLY 78 HA2 GLY 78 2.305 7.792 12.315 643 HA3 GLY 78 HA1 GLY 78 2.805 6.337 11.464 644 H CYS 79 HN CYS 79 3.554 7.687 9.013 645 HA CYS 79 HA CYS 79 6.096 8.721 9.969 646 HB2 CYS 79 HB2 CYS 79 6.828 8.388 7.564 647 HB3 CYS 79 HB1 CYS 79 6.388 6.928 8.437 648 HG CYS 79 HG CYS 79 4.118 6.423 7.161 649 H GLU 80 HN GLU 80 3.464 10.226 9.714 650 HA GLU 80 HA GLU 80 2.860 12.360 9.553 651 HB2 GLU 80 HB2 GLU 80 5.761 12.835 8.961 652 HB3 GLU 80 HB1 GLU 80 4.587 14.145 9.029 653 HG2 GLU 80 HG2 GLU 80 5.298 12.245 11.241 654 HG3 GLU 80 HG1 GLU 80 5.699 13.964 11.140 655 H LEU 81 HN LEU 81 3.150 10.563 7.145 656 HA LEU 81 HA LEU 81 2.787 12.575 5.053 657 HB2 LEU 81 HB2 LEU 81 2.824 9.550 4.919 658 HB3 LEU 81 HB1 LEU 81 2.803 10.642 3.547 659 HG LEU 81 HG LEU 81 5.067 10.377 5.529 660 HD11 LEU 81 HD11 LEU 81 4.878 9.471 2.671 661 HD12 LEU 81 HD12 LEU 81 4.836 8.426 4.088 662 HD13 LEU 81 HD13 LEU 81 6.293 9.341 3.714 663 HD21 LEU 81 HD21 LEU 81 4.855 11.990 2.987 664 HD22 LEU 81 HD22 LEU 81 6.310 11.800 3.969 665 HD23 LEU 81 HD23 LEU 81 4.908 12.634 4.629 666 H VAL 82 HN VAL 82 1.013 12.878 6.844 667 HA VAL 82 HA VAL 82 -1.225 11.171 7.024 668 HB VAL 82 HB VAL 82 -1.136 14.145 7.590 669 HG11 VAL 82 HG11 VAL 82 -2.915 11.984 8.712 670 HG12 VAL 82 HG12 VAL 82 -3.398 13.244 7.578 671 HG13 VAL 82 HG13 VAL 82 -2.912 13.675 9.216 672 HG21 VAL 82 HG21 VAL 82 0.687 13.015 8.746 673 HG22 VAL 82 HG22 VAL 82 -0.449 11.847 9.421 674 HG23 VAL 82 HG23 VAL 82 -0.544 13.541 9.892 675 H ASP 83 HN ASP 83 -0.383 13.716 4.870 676 HA ASP 83 HA ASP 83 -2.866 14.232 3.675 677 HB2 ASP 83 HB2 ASP 83 -1.546 15.149 1.773 678 HB3 ASP 83 HB1 ASP 83 -0.999 15.752 3.326 679 H LEU 84 HN LEU 84 -0.356 11.903 2.927 680 HA LEU 84 HA LEU 84 -1.721 10.787 0.703 681 HB2 LEU 84 HB2 LEU 84 0.589 9.850 2.373 682 HB3 LEU 84 HB1 LEU 84 -0.063 8.877 1.070 683 HG LEU 84 HG LEU 84 0.960 11.683 0.633 684 HD11 LEU 84 HD11 LEU 84 2.374 9.048 0.273 685 HD12 LEU 84 HD12 LEU 84 2.771 10.261 1.491 686 HD13 LEU 84 HD13 LEU 84 2.994 10.620 -0.219 687 HD21 LEU 84 HD21 LEU 84 -0.593 10.767 -1.049 688 HD22 LEU 84 HD22 LEU 84 0.482 9.366 -1.226 689 HD23 LEU 84 HD23 LEU 84 1.046 10.965 -1.684 690 H ALA 85 HN ALA 85 -1.591 10.098 4.109 691 HA ALA 85 HA ALA 85 -2.960 7.624 4.113 692 HB1 ALA 85 HB1 ALA 85 -3.037 9.774 6.239 693 HB2 ALA 85 HB2 ALA 85 -1.788 8.546 6.115 694 HB3 ALA 85 HB3 ALA 85 -3.451 8.081 6.474 695 H ASP 86 HN ASP 86 -4.053 10.928 4.384 696 HA ASP 86 HA ASP 86 -6.796 10.431 4.732 697 HB2 ASP 86 HB2 ASP 86 -5.803 12.540 5.365 698 HB3 ASP 86 HB1 ASP 86 -5.363 12.857 3.697 699 H GLU 87 HN GLU 87 -4.906 11.124 1.810 700 HA GLU 87 HA GLU 87 -7.212 11.281 0.198 701 HB2 GLU 87 HB2 GLU 87 -5.740 11.413 -1.717 702 HB3 GLU 87 HB1 GLU 87 -5.035 12.295 -0.377 703 HG2 GLU 87 HG2 GLU 87 -3.546 10.440 0.067 704 HG3 GLU 87 HG1 GLU 87 -4.163 9.637 -1.380 705 H VAL 88 HN VAL 88 -5.186 8.612 1.098 706 HA VAL 88 HA VAL 88 -6.502 6.755 -0.649 707 HB VAL 88 HB VAL 88 -4.791 6.218 1.814 708 HG11 VAL 88 HG11 VAL 88 -5.686 4.300 -0.346 709 HG12 VAL 88 HG12 VAL 88 -6.249 4.308 1.323 710 HG13 VAL 88 HG13 VAL 88 -4.566 3.924 0.965 711 HG21 VAL 88 HG21 VAL 88 -3.026 5.677 0.199 712 HG22 VAL 88 HG22 VAL 88 -3.574 7.346 0.029 713 HG23 VAL 88 HG23 VAL 88 -4.104 6.122 -1.125 714 H ALA 89 HN ALA 89 -6.833 7.694 2.742 715 HA ALA 89 HA ALA 89 -8.799 5.879 3.550 716 HB1 ALA 89 HB1 ALA 89 -7.576 7.352 5.104 717 HB2 ALA 89 HB2 ALA 89 -9.318 7.479 5.329 718 HB3 ALA 89 HB3 ALA 89 -8.449 8.738 4.454 719 H SER 90 HN SER 90 -9.037 8.921 1.876 720 HA SER 90 HA SER 90 -11.821 9.251 1.903 721 HB2 SER 90 HB2 SER 90 -9.780 10.198 -0.110 722 HB3 SER 90 HB1 SER 90 -11.435 10.801 0.018 723 HG SER 90 HG SER 90 -9.347 11.012 1.957 724 H VAL 91 HN VAL 91 -9.860 7.064 0.136 725 HA VAL 91 HA VAL 91 -11.850 6.638 -1.928 726 HB VAL 91 HB VAL 91 -9.244 5.166 -1.392 727 HG11 VAL 91 HG11 VAL 91 -10.812 3.798 -2.653 728 HG12 VAL 91 HG12 VAL 91 -9.469 4.314 -3.674 729 HG13 VAL 91 HG13 VAL 91 -11.037 5.108 -3.813 730 HG21 VAL 91 HG21 VAL 91 -9.869 7.342 -3.378 731 HG22 VAL 91 HG22 VAL 91 -8.362 6.434 -3.298 732 HG23 VAL 91 HG23 VAL 91 -8.828 7.487 -1.958 733 H TYR 92 HN TYR 92 -10.321 4.838 0.721 734 HA TYR 92 HA TYR 92 -11.782 2.463 0.354 735 HB2 TYR 92 HB2 TYR 92 -9.613 2.781 1.628 736 HB3 TYR 92 HB1 TYR 92 -10.596 3.334 2.973 737 HD1 TYR 92 HD1 TYR 92 -10.051 0.441 0.723 738 HD2 TYR 92 HD2 TYR 92 -11.571 1.760 4.470 739 HE1 TYR 92 HE1 TYR 92 -10.313 -1.894 1.426 740 HE2 TYR 92 HE2 TYR 92 -11.842 -0.581 5.186 741 HH TYR 92 HH TYR 92 -12.070 -2.841 4.158 742 H GLN 93 HN GLN 93 -12.664 5.371 2.004 743 HA GLN 93 HA GLN 93 -14.673 4.232 3.645 744 HB2 GLN 93 HB2 GLN 93 -15.562 6.532 3.877 745 HB3 GLN 93 HB1 GLN 93 -13.838 6.434 4.178 746 HG2 GLN 93 HG2 GLN 93 -13.439 7.291 1.892 747 HG3 GLN 93 HG1 GLN 93 -15.181 7.463 1.688 748 HE21 GLN 93 HE21 GLN 93 -16.257 9.089 2.796 749 HE22 GLN 93 HE22 GLN 93 -15.415 10.367 3.587 750 H SER 94 HN SER 94 -14.572 4.604 0.306 751 HA SER 94 HA SER 94 -17.485 4.480 0.072 752 HB2 SER 94 HB2 SER 94 -15.382 4.864 -2.052 753 HB3 SER 94 HB1 SER 94 -17.127 5.043 -2.253 754 HG SER 94 HG SER 94 -15.425 6.871 -1.622 755 H TYR 95 HN TYR 95 -14.830 2.461 0.347 756 HA TYR 95 HA TYR 95 -16.098 0.319 -1.201 757 HB2 TYR 95 HB2 TYR 95 -13.100 0.827 -1.018 758 HB3 TYR 95 HB1 TYR 95 -13.907 -0.513 -1.781 759 HD1 TYR 95 HD2 TYR 95 -15.175 -0.216 -3.867 760 HD2 TYR 95 HD1 TYR 95 -12.918 2.962 -2.193 761 HE1 TYR 95 HE2 TYR 95 -15.263 0.973 -6.018 762 HE2 TYR 95 HE1 TYR 95 -13.002 4.161 -4.345 763 HH TYR 95 HH TYR 95 -15.095 3.189 -6.843 764 H GLN 96 HN GLN 96 -17.087 -0.553 0.459 765 HA GLN 96 HA GLN 96 -15.414 -2.071 2.255 766 HB2 GLN 96 HB2 GLN 96 -17.576 -0.205 3.269 767 HB3 GLN 96 HB1 GLN 96 -16.938 -1.537 4.208 768 HG2 GLN 96 HG2 GLN 96 -14.711 -0.488 4.134 769 HG3 GLN 96 HG1 GLN 96 -15.407 0.870 3.247 770 HE21 GLN 96 HE21 GLN 96 -15.284 -0.796 6.271 771 HE22 GLN 96 HE22 GLN 96 -16.020 0.436 7.226 772 HA PRO 97 HA PRO 97 -18.864 -4.593 0.638 773 HB2 PRO 97 HB2 PRO 97 -17.560 -6.906 0.541 774 HB3 PRO 97 HB1 PRO 97 -17.174 -5.627 -0.621 775 HG2 PRO 97 HG2 PRO 97 -15.790 -6.309 1.947 776 HG3 PRO 97 HG1 PRO 97 -15.040 -6.115 0.366 777 HD2 PRO 97 HD2 PRO 97 -15.061 -4.108 2.168 778 HD3 PRO 97 HD1 PRO 97 -15.243 -3.789 0.431 779 H ARG 98 HN ARG 98 -17.076 -4.672 3.545 780 HA ARG 98 HA ARG 98 -19.107 -6.024 4.989 781 HB2 ARG 98 HB2 ARG 98 -17.700 -7.861 5.781 782 HB3 ARG 98 HB1 ARG 98 -17.894 -7.950 4.037 783 HG2 ARG 98 HG2 ARG 98 -15.664 -6.923 3.761 784 HG3 ARG 98 HG1 ARG 98 -15.477 -6.920 5.515 785 HD2 ARG 98 HD2 ARG 98 -14.325 -8.806 4.580 786 HD3 ARG 98 HD1 ARG 98 -15.714 -9.386 5.493 787 HE ARG 98 HE ARG 98 -16.866 -9.564 3.306 788 HH11 ARG 98 HH11 ARG 98 -13.307 -9.758 3.469 789 HH12 ARG 98 HH12 ARG 98 -13.142 -10.634 2.041 790 HH21 ARG 98 HH21 ARG 98 -16.614 -10.806 1.290 791 HH22 ARG 98 HH22 ARG 98 -15.056 -11.233 0.767 792 H THR 99 HN THR 99 -18.400 -6.123 7.302 793 HA THR 99 HA THR 99 -16.578 -3.940 7.940 794 HB THR 99 HB THR 99 -18.522 -5.386 9.763 795 HG1 THR 99 HG1 THR 99 -19.586 -3.125 9.221 796 HG21 THR 99 HG21 THR 99 -18.362 -3.321 11.092 797 HG22 THR 99 HG22 THR 99 -17.251 -2.636 9.907 798 HG23 THR 99 HG23 THR 99 -16.764 -4.035 10.863 799 H SER 100 HN SER 100 -14.543 -4.810 8.153 800 HA SER 100 HA SER 100 -14.235 -7.032 9.983 801 HB2 SER 100 HB2 SER 100 -14.258 -7.903 7.582 802 HB3 SER 100 HB1 SER 100 -12.840 -6.904 7.279 803 HG SER 100 HG SER 100 -11.736 -8.109 8.852 Start of MODEL 8 1 H1 GLY -1 HT1 GLY -1 -14.495 -6.713 2.761 2 H2 GLY -1 HT2 GLY -1 -12.864 -6.243 2.818 3 H3 GLY -1 HT3 GLY -1 -14.021 -5.461 3.764 4 HA2 GLY -1 HA1 GLY -1 -12.754 -6.972 5.145 5 HA3 GLY -1 HA2 GLY -1 -14.450 -7.414 5.046 6 H SER 0 HN SER 0 -14.915 -9.467 4.575 7 HA SER 0 HA SER 0 -12.802 -11.360 4.053 8 HB2 SER 0 HB2 SER 0 -15.792 -11.811 4.141 9 HB3 SER 0 HB1 SER 0 -14.513 -12.987 4.463 10 HG SER 0 HG SER 0 -13.901 -11.394 6.167 11 H MET 1 HN MET 1 -12.947 -9.623 1.956 12 HA MET 1 HA MET 1 -13.188 -11.097 -0.304 13 HB2 MET 1 HB2 MET 1 -15.051 -9.949 -1.462 14 HB3 MET 1 HB1 MET 1 -15.596 -10.972 -0.138 15 HG2 MET 1 HG2 MET 1 -16.084 -9.074 1.234 16 HG3 MET 1 HG1 MET 1 -15.259 -7.984 0.125 17 HE1 MET 1 HE1 MET 1 -17.664 -10.914 -0.788 18 HE2 MET 1 HE2 MET 1 -19.224 -10.102 -0.868 19 HE3 MET 1 HE3 MET 1 -18.398 -10.269 0.680 20 HA PRO 2 HA PRO 2 -10.758 -7.297 -0.673 21 HB2 PRO 2 HB2 PRO 2 -8.925 -8.495 -2.376 22 HB3 PRO 2 HB1 PRO 2 -8.741 -8.328 -0.629 23 HG2 PRO 2 HG2 PRO 2 -9.504 -10.701 -2.227 24 HG3 PRO 2 HG1 PRO 2 -8.688 -10.619 -0.659 25 HD2 PRO 2 HD2 PRO 2 -11.387 -11.275 -1.000 26 HD3 PRO 2 HD1 PRO 2 -10.700 -10.673 0.493 27 H PHE 3 HN PHE 3 -12.396 -6.483 -1.739 28 HA PHE 3 HA PHE 3 -12.438 -6.863 -4.670 29 HB2 PHE 3 HB2 PHE 3 -14.449 -7.893 -3.481 30 HB3 PHE 3 HB1 PHE 3 -14.895 -6.266 -2.989 31 HD1 PHE 3 HD1 PHE 3 -14.667 -8.621 -5.768 32 HD2 PHE 3 HD2 PHE 3 -15.798 -4.681 -4.620 33 HE1 PHE 3 HE1 PHE 3 -15.890 -8.361 -7.884 34 HE2 PHE 3 HE2 PHE 3 -17.024 -4.419 -6.743 35 HZ PHE 3 HZ PHE 3 -17.069 -6.256 -8.372 36 H ALA 4 HN ALA 4 -13.630 -4.775 -2.082 37 HA ALA 4 HA ALA 4 -13.425 -2.397 -3.650 38 HB1 ALA 4 HB1 ALA 4 -14.974 -2.729 -1.704 39 HB2 ALA 4 HB2 ALA 4 -14.067 -1.250 -1.646 40 HB3 ALA 4 HB3 ALA 4 -13.579 -2.619 -0.633 41 H GLU 5 HN GLU 5 -11.424 -4.181 -1.484 42 HA GLU 5 HA GLU 5 -9.285 -2.394 -1.147 43 HB2 GLU 5 HB2 GLU 5 -9.272 -5.431 -1.222 44 HB3 GLU 5 HB1 GLU 5 -7.977 -4.431 -0.602 45 HG2 GLU 5 HG2 GLU 5 -9.110 -5.305 1.277 46 HG3 GLU 5 HG1 GLU 5 -9.594 -3.627 1.161 47 H ASP 6 HN ASP 6 -10.142 -4.765 -3.566 48 HA ASP 6 HA ASP 6 -7.675 -4.704 -5.015 49 HB2 ASP 6 HB2 ASP 6 -9.333 -6.618 -4.948 50 HB3 ASP 6 HB1 ASP 6 -10.397 -5.651 -5.954 51 H LYS 7 HN LYS 7 -10.856 -3.237 -5.323 52 HA LYS 7 HA LYS 7 -10.484 -1.724 -7.670 53 HB2 LYS 7 HB2 LYS 7 -12.109 -1.017 -5.213 54 HB3 LYS 7 HB1 LYS 7 -12.268 -0.236 -6.772 55 HG2 LYS 7 HG2 LYS 7 -12.856 -3.145 -6.216 56 HG3 LYS 7 HG1 LYS 7 -14.062 -1.868 -6.266 57 HD2 LYS 7 HD2 LYS 7 -12.259 -2.598 -8.567 58 HD3 LYS 7 HD1 LYS 7 -13.892 -3.230 -8.360 59 HE2 LYS 7 HE2 LYS 7 -14.748 -0.922 -8.443 60 HE3 LYS 7 HE1 LYS 7 -13.107 -0.335 -8.693 61 HZ1 LYS 7 HZ1 LYS 7 -14.566 -2.171 -10.512 62 HZ2 LYS 7 HZ2 LYS 7 -13.005 -1.611 -10.736 63 HZ3 LYS 7 HZ3 LYS 7 -14.287 -0.526 -10.774 64 H THR 8 HN THR 8 -9.781 -1.033 -4.283 65 HA THR 8 HA THR 8 -8.858 1.583 -4.579 66 HB THR 8 HB THR 8 -8.123 -0.518 -2.510 67 HG1 THR 8 HG1 THR 8 -10.322 -0.000 -2.456 68 HG21 THR 8 HG21 THR 8 -6.452 1.299 -2.536 69 HG22 THR 8 HG22 THR 8 -7.434 1.358 -1.073 70 HG23 THR 8 HG23 THR 8 -7.746 2.490 -2.390 71 H TYR 9 HN TYR 9 -7.064 -1.512 -4.566 72 HA TYR 9 HA TYR 9 -4.506 -0.564 -4.954 73 HB2 TYR 9 HB2 TYR 9 -4.719 -2.900 -4.562 74 HB3 TYR 9 HB1 TYR 9 -5.826 -3.110 -5.912 75 HD1 TYR 9 HD1 TYR 9 -2.259 -2.345 -5.082 76 HD2 TYR 9 HD2 TYR 9 -5.018 -3.709 -8.021 77 HE1 TYR 9 HE1 TYR 9 -0.380 -2.964 -6.570 78 HE2 TYR 9 HE2 TYR 9 -3.167 -4.325 -9.497 79 HH TYR 9 HH TYR 9 0.076 -4.464 -8.520 80 H LYS 10 HN LYS 10 -6.867 -1.339 -7.483 81 HA LYS 10 HA LYS 10 -5.144 -0.627 -9.600 82 HB2 LYS 10 HB2 LYS 10 -8.125 -0.975 -9.499 83 HB3 LYS 10 HB1 LYS 10 -7.256 -0.624 -10.988 84 HG2 LYS 10 HG2 LYS 10 -5.967 -2.671 -10.744 85 HG3 LYS 10 HG1 LYS 10 -6.786 -3.016 -9.218 86 HD2 LYS 10 HD2 LYS 10 -8.891 -3.239 -10.341 87 HD3 LYS 10 HD1 LYS 10 -8.178 -2.724 -11.871 88 HE2 LYS 10 HE2 LYS 10 -8.470 -5.152 -11.794 89 HE3 LYS 10 HE1 LYS 10 -6.776 -4.706 -11.904 90 HZ1 LYS 10 HZ1 LYS 10 -7.203 -6.504 -10.333 91 HZ2 LYS 10 HZ2 LYS 10 -8.136 -5.522 -9.360 92 HZ3 LYS 10 HZ3 LYS 10 -6.497 -5.206 -9.558 93 H TYR 11 HN TYR 11 -7.285 1.256 -7.645 94 HA TYR 11 HA TYR 11 -7.418 3.576 -9.312 95 HB2 TYR 11 HB2 TYR 11 -8.869 2.968 -7.188 96 HB3 TYR 11 HB1 TYR 11 -7.503 3.564 -6.314 97 HD1 TYR 11 HD2 TYR 11 -6.944 5.913 -6.180 98 HD2 TYR 11 HD1 TYR 11 -10.256 4.609 -8.509 99 HE1 TYR 11 HE2 TYR 11 -7.761 8.228 -6.302 100 HE2 TYR 11 HE1 TYR 11 -11.083 6.925 -8.631 101 HH TYR 11 HH TYR 11 -10.891 8.994 -7.380 102 H ILE 12 HN ILE 12 -5.524 2.621 -6.508 103 HA ILE 12 HA ILE 12 -3.895 4.912 -6.290 104 HB ILE 12 HB ILE 12 -3.458 2.081 -5.277 105 HG12 ILE 12 HG12 ILE 12 -5.563 3.103 -4.532 106 HG13 ILE 12 HG11 ILE 12 -4.456 2.846 -3.179 107 HG21 ILE 12 HG21 ILE 12 -2.137 4.627 -4.333 108 HG22 ILE 12 HG22 ILE 12 -1.359 3.313 -5.219 109 HG23 ILE 12 HG23 ILE 12 -1.978 3.032 -3.590 110 HD11 ILE 12 HD11 ILE 12 -3.904 5.258 -3.260 111 HD12 ILE 12 HD12 ILE 12 -5.615 4.957 -2.965 112 HD13 ILE 12 HD13 ILE 12 -5.071 5.458 -4.567 113 H CYS 13 HN CYS 13 -3.663 2.189 -8.377 114 HA CYS 13 HA CYS 13 -0.937 2.368 -9.034 115 HB2 CYS 13 HB2 CYS 13 -3.273 1.482 -10.721 116 HB3 CYS 13 HB1 CYS 13 -1.584 1.258 -11.171 117 HG CYS 13 HG CYS 13 -2.938 -0.027 -8.325 118 H ARG 14 HN ARG 14 -3.650 4.354 -9.945 119 HA ARG 14 HA ARG 14 -2.336 5.640 -12.180 120 HB2 ARG 14 HB2 ARG 14 -4.747 6.453 -10.565 121 HB3 ARG 14 HB1 ARG 14 -4.179 7.311 -11.979 122 HG2 ARG 14 HG2 ARG 14 -4.594 5.217 -13.299 123 HG3 ARG 14 HG1 ARG 14 -5.302 4.564 -11.803 124 HD2 ARG 14 HD2 ARG 14 -6.972 5.560 -13.404 125 HD3 ARG 14 HD1 ARG 14 -7.006 6.214 -11.764 126 HE ARG 14 HE ARG 14 -5.328 7.674 -13.583 127 HH11 ARG 14 HH11 ARG 14 -8.682 7.343 -12.572 128 HH12 ARG 14 HH12 ARG 14 -9.052 8.993 -12.753 129 HH21 ARG 14 HH21 ARG 14 -5.835 9.923 -13.871 130 HH22 ARG 14 HH22 ARG 14 -7.406 10.492 -13.532 131 H ASN 15 HN ASN 15 -2.911 6.304 -8.810 132 HA ASN 15 HA ASN 15 -1.514 8.849 -9.005 133 HB2 ASN 15 HB2 ASN 15 -2.417 9.269 -6.696 134 HB3 ASN 15 HB1 ASN 15 -3.636 8.990 -7.932 135 HD21 ASN 15 HD21 ASN 15 -4.900 7.224 -7.904 136 HD22 ASN 15 HD22 ASN 15 -4.966 6.207 -6.515 137 H PHE 16 HN PHE 16 -0.438 6.093 -8.929 138 HA PHE 16 HA PHE 16 1.263 5.545 -6.830 139 HB2 PHE 16 HB2 PHE 16 1.099 4.129 -8.818 140 HB3 PHE 16 HB1 PHE 16 1.817 5.384 -9.807 141 HD1 PHE 16 HD1 PHE 16 2.474 2.872 -7.213 142 HD2 PHE 16 HD2 PHE 16 4.191 5.669 -9.916 143 HE1 PHE 16 HE1 PHE 16 4.691 1.876 -6.836 144 HE2 PHE 16 HE2 PHE 16 6.411 4.683 -9.541 145 HZ PHE 16 HZ PHE 16 6.662 2.783 -8.000 146 H SER 17 HN SER 17 1.566 8.001 -9.314 147 HA SER 17 HA SER 17 4.167 8.883 -8.816 148 HB2 SER 17 HB2 SER 17 1.833 10.418 -9.941 149 HB3 SER 17 HB1 SER 17 3.545 10.675 -10.285 150 HG SER 17 HG SER 17 3.643 8.871 -11.415 151 H ASN 18 HN ASN 18 1.174 9.466 -7.137 152 HA ASN 18 HA ASN 18 1.969 11.896 -5.829 153 HB2 ASN 18 HB2 ASN 18 -0.209 9.894 -5.081 154 HB3 ASN 18 HB1 ASN 18 0.015 11.453 -4.313 155 HD21 ASN 18 HD21 ASN 18 -2.128 12.107 -4.862 156 HD22 ASN 18 HD22 ASN 18 -2.535 12.501 -6.481 157 H PHE 19 HN PHE 19 2.141 8.472 -5.261 158 HA PHE 19 HA PHE 19 2.976 8.758 -2.520 159 HB2 PHE 19 HB2 PHE 19 2.503 6.372 -4.284 160 HB3 PHE 19 HB1 PHE 19 3.155 6.236 -2.656 161 HD1 PHE 19 HD2 PHE 19 0.245 7.489 -4.579 162 HD2 PHE 19 HD1 PHE 19 1.735 6.204 -0.812 163 HE1 PHE 19 HE2 PHE 19 -2.024 7.564 -3.659 164 HE2 PHE 19 HE1 PHE 19 -0.533 6.287 0.113 165 HZ PHE 19 HZ PHE 19 -2.417 6.969 -1.320 166 H CYS 20 HN CYS 20 4.647 9.199 -5.299 167 HA CYS 20 HA CYS 20 6.806 7.473 -4.869 168 HB2 CYS 20 HB2 CYS 20 6.621 9.981 -6.529 169 HB3 CYS 20 HB1 CYS 20 7.988 8.870 -6.544 170 HG CYS 20 HG CYS 20 5.002 7.421 -7.087 171 H ASN 21 HN ASN 21 6.017 10.371 -3.277 172 HA ASN 21 HA ASN 21 8.716 10.430 -2.206 173 HB2 ASN 21 HB2 ASN 21 8.171 12.658 -3.069 174 HB3 ASN 21 HB1 ASN 21 6.669 12.679 -2.149 175 HD21 ASN 21 HD21 ASN 21 10.191 12.800 -1.886 176 HD22 ASN 21 HD22 ASN 21 10.206 13.487 -0.305 177 H VAL 22 HN VAL 22 8.139 8.642 -1.225 178 HA VAL 22 HA VAL 22 6.991 9.140 1.415 179 HB VAL 22 HB VAL 22 5.393 7.904 -0.344 180 HG11 VAL 22 HG11 VAL 22 7.114 5.655 0.455 181 HG12 VAL 22 HG12 VAL 22 6.804 6.325 -1.168 182 HG13 VAL 22 HG13 VAL 22 5.493 5.563 -0.241 183 HG21 VAL 22 HG21 VAL 22 5.781 6.867 2.457 184 HG22 VAL 22 HG22 VAL 22 4.362 6.608 1.446 185 HG23 VAL 22 HG23 VAL 22 4.779 8.235 1.974 186 H ASP 23 HN ASP 23 7.561 6.983 2.789 187 HA ASP 23 HA ASP 23 10.191 6.033 2.090 188 HB2 ASP 23 HB2 ASP 23 9.028 7.088 4.629 189 HB3 ASP 23 HB1 ASP 23 10.360 5.957 4.651 190 H VAL 24 HN VAL 24 9.745 3.964 1.531 191 HA VAL 24 HA VAL 24 7.411 2.610 2.494 192 HB VAL 24 HB VAL 24 9.714 1.624 0.766 193 HG11 VAL 24 HG11 VAL 24 8.147 -0.136 0.069 194 HG12 VAL 24 HG12 VAL 24 7.061 0.344 1.384 195 HG13 VAL 24 HG13 VAL 24 8.672 -0.299 1.747 196 HG21 VAL 24 HG21 VAL 24 6.945 2.533 0.024 197 HG22 VAL 24 HG22 VAL 24 8.149 1.875 -1.086 198 HG23 VAL 24 HG23 VAL 24 8.446 3.408 -0.267 199 H VAL 25 HN VAL 25 10.761 2.657 3.191 200 HA VAL 25 HA VAL 25 10.977 0.299 4.680 201 HB VAL 25 HB VAL 25 12.985 1.330 5.747 202 HG11 VAL 25 HG11 VAL 25 12.747 1.591 2.750 203 HG12 VAL 25 HG12 VAL 25 13.170 0.129 3.640 204 HG13 VAL 25 HG13 VAL 25 14.264 1.515 3.642 205 HG21 VAL 25 HG21 VAL 25 12.227 3.724 4.062 206 HG22 VAL 25 HG22 VAL 25 13.752 3.531 4.919 207 HG23 VAL 25 HG23 VAL 25 12.242 3.658 5.824 208 H GLU 26 HN GLU 26 9.850 3.515 5.693 209 HA GLU 26 HA GLU 26 9.729 2.790 8.421 210 HB2 GLU 26 HB2 GLU 26 8.847 5.146 6.794 211 HB3 GLU 26 HB1 GLU 26 8.525 5.016 8.505 212 HG2 GLU 26 HG2 GLU 26 10.980 4.819 8.894 213 HG3 GLU 26 HG1 GLU 26 11.227 5.078 7.170 214 H ILE 27 HN ILE 27 7.692 2.665 5.660 215 HA ILE 27 HA ILE 27 5.150 2.416 6.995 216 HB ILE 27 HB ILE 27 6.111 1.809 4.185 217 HG12 ILE 27 HG12 ILE 27 4.309 3.992 5.231 218 HG13 ILE 27 HG11 ILE 27 6.013 4.177 4.823 219 HG21 ILE 27 HG21 ILE 27 3.271 1.642 5.164 220 HG22 ILE 27 HG22 ILE 27 4.279 0.293 4.640 221 HG23 ILE 27 HG23 ILE 27 3.797 1.532 3.482 222 HD11 ILE 27 HD11 ILE 27 5.518 3.654 2.498 223 HD12 ILE 27 HD12 ILE 27 4.567 5.033 3.064 224 HD13 ILE 27 HD13 ILE 27 3.812 3.447 2.904 225 H LEU 28 HN LEU 28 7.634 0.197 5.961 226 HA LEU 28 HA LEU 28 6.290 -2.188 6.024 227 HB2 LEU 28 HB2 LEU 28 9.140 -1.654 6.849 228 HB3 LEU 28 HB1 LEU 28 8.481 -3.264 6.651 229 HG LEU 28 HG LEU 28 8.634 -1.204 4.452 230 HD11 LEU 28 HD11 LEU 28 10.464 -2.566 3.582 231 HD12 LEU 28 HD12 LEU 28 10.380 -3.599 5.010 232 HD13 LEU 28 HD13 LEU 28 10.862 -1.912 5.169 233 HD21 LEU 28 HD21 LEU 28 8.147 -3.092 3.006 234 HD22 LEU 28 HD22 LEU 28 6.846 -2.860 4.171 235 HD23 LEU 28 HD23 LEU 28 8.033 -4.151 4.404 236 HA PRO 29 HA PRO 29 6.967 -2.926 10.780 237 HB2 PRO 29 HB2 PRO 29 7.414 -0.687 12.311 238 HB3 PRO 29 HB1 PRO 29 8.683 -1.772 11.742 239 HG2 PRO 29 HG2 PRO 29 7.757 0.821 10.595 240 HG3 PRO 29 HG1 PRO 29 9.416 0.235 10.827 241 HD2 PRO 29 HD2 PRO 29 8.239 0.168 8.436 242 HD3 PRO 29 HD1 PRO 29 9.312 -1.141 8.967 243 H TYR 30 HN TYR 30 5.401 -0.165 9.402 244 HA TYR 30 HA TYR 30 3.390 0.070 11.433 245 HB2 TYR 30 HB2 TYR 30 3.800 1.260 8.712 246 HB3 TYR 30 HB1 TYR 30 2.310 1.568 9.542 247 HD1 TYR 30 HD2 TYR 30 3.838 1.798 12.359 248 HD2 TYR 30 HD1 TYR 30 4.372 3.555 8.518 249 HE1 TYR 30 HE2 TYR 30 4.921 3.740 13.397 250 HE2 TYR 30 HE1 TYR 30 5.455 5.496 9.552 251 HH TYR 30 HH TYR 30 5.513 6.648 11.738 252 H LEU 31 HN LEU 31 3.878 -1.783 8.537 253 HA LEU 31 HA LEU 31 1.090 -2.527 8.396 254 HB2 LEU 31 HB2 LEU 31 3.331 -2.489 6.463 255 HB3 LEU 31 HB1 LEU 31 2.049 -3.656 6.245 256 HG LEU 31 HG LEU 31 0.418 -1.852 6.033 257 HD11 LEU 31 HD11 LEU 31 1.243 -0.279 7.507 258 HD12 LEU 31 HD12 LEU 31 1.117 0.425 5.886 259 HD13 LEU 31 HD13 LEU 31 2.698 -0.039 6.534 260 HD21 LEU 31 HD21 LEU 31 1.648 -2.630 4.068 261 HD22 LEU 31 HD22 LEU 31 2.826 -1.341 4.324 262 HD23 LEU 31 HD23 LEU 31 1.144 -0.949 3.943 263 HA PRO 32 HA PRO 32 2.469 -6.519 9.980 264 HB2 PRO 32 HB2 PRO 32 0.157 -7.166 11.146 265 HB3 PRO 32 HB1 PRO 32 1.207 -5.945 11.874 266 HG2 PRO 32 HG2 PRO 32 -1.277 -5.576 10.253 267 HG3 PRO 32 HG1 PRO 32 -0.743 -4.688 11.689 268 HD2 PRO 32 HD2 PRO 32 -0.439 -3.827 9.062 269 HD3 PRO 32 HD1 PRO 32 0.515 -3.228 10.426 270 H CYS 33 HN CYS 33 0.788 -5.531 7.456 271 HA CYS 33 HA CYS 33 -0.685 -7.938 6.769 272 HB2 CYS 33 HB2 CYS 33 -0.260 -5.397 5.198 273 HB3 CYS 33 HB1 CYS 33 -1.431 -6.664 4.841 274 HG CYS 33 HG CYS 33 -3.145 -6.150 6.800 275 H LEU 34 HN LEU 34 2.417 -7.278 6.802 276 HA LEU 34 HA LEU 34 2.918 -8.980 4.507 277 HB2 LEU 34 HB2 LEU 34 4.646 -6.670 5.359 278 HB3 LEU 34 HB1 LEU 34 5.093 -7.879 4.180 279 HG LEU 34 HG LEU 34 2.828 -7.023 3.071 280 HD11 LEU 34 HD11 LEU 34 3.880 -4.667 4.576 281 HD12 LEU 34 HD12 LEU 34 2.277 -5.409 4.694 282 HD13 LEU 34 HD13 LEU 34 2.773 -4.580 3.209 283 HD21 LEU 34 HD21 LEU 34 4.213 -5.649 1.633 284 HD22 LEU 34 HD22 LEU 34 4.930 -7.220 2.026 285 HD23 LEU 34 HD23 LEU 34 5.527 -5.758 2.819 286 H THR 35 HN THR 35 4.138 -10.721 5.038 287 HA THR 35 HA THR 35 4.804 -11.231 7.684 288 HB THR 35 HB THR 35 6.003 -12.707 5.421 289 HG1 THR 35 HG1 THR 35 3.173 -12.858 5.867 290 HG21 THR 35 HG21 THR 35 5.071 -14.602 6.647 291 HG22 THR 35 HG22 THR 35 4.149 -13.494 7.661 292 HG23 THR 35 HG23 THR 35 5.908 -13.521 7.775 293 H ALA 36 HN ALA 36 7.220 -11.942 8.162 294 HA ALA 36 HA ALA 36 8.751 -9.593 8.008 295 HB1 ALA 36 HB1 ALA 36 8.850 -11.182 9.887 296 HB2 ALA 36 HB2 ALA 36 10.437 -10.775 9.242 297 HB3 ALA 36 HB3 ALA 36 9.700 -12.324 8.846 298 H ARG 37 HN ARG 37 9.042 -12.678 6.222 299 HA ARG 37 HA ARG 37 11.438 -12.005 4.944 300 HB2 ARG 37 HB2 ARG 37 9.221 -13.827 4.007 301 HB3 ARG 37 HB1 ARG 37 10.830 -13.739 3.337 302 HG2 ARG 37 HG2 ARG 37 10.048 -14.741 6.069 303 HG3 ARG 37 HG1 ARG 37 10.728 -15.669 4.734 304 HD2 ARG 37 HD2 ARG 37 12.091 -13.525 6.347 305 HD3 ARG 37 HD1 ARG 37 12.443 -15.250 6.383 306 HE ARG 37 HE ARG 37 12.974 -14.795 3.886 307 HH11 ARG 37 HH11 ARG 37 13.742 -12.738 6.648 308 HH12 ARG 37 HH12 ARG 37 15.116 -12.026 5.949 309 HH21 ARG 37 HH21 ARG 37 14.877 -13.773 2.876 310 HH22 ARG 37 HH22 ARG 37 15.761 -12.614 3.751 311 H ASP 38 HN ASP 38 8.067 -11.484 4.112 312 HA ASP 38 HA ASP 38 8.325 -10.419 1.548 313 HB2 ASP 38 HB2 ASP 38 6.316 -9.835 3.732 314 HB3 ASP 38 HB1 ASP 38 6.153 -9.243 2.086 315 H GLN 39 HN GLN 39 8.356 -8.866 4.699 316 HA GLN 39 HA GLN 39 8.702 -6.221 3.785 317 HB2 GLN 39 HB2 GLN 39 9.429 -7.484 6.422 318 HB3 GLN 39 HB1 GLN 39 9.465 -5.757 6.107 319 HG2 GLN 39 HG2 GLN 39 7.083 -5.747 5.700 320 HG3 GLN 39 HG1 GLN 39 7.025 -7.496 5.909 321 HE21 GLN 39 HE21 GLN 39 5.682 -5.327 7.403 322 HE22 GLN 39 HE22 GLN 39 6.155 -5.544 9.029 323 H ASP 40 HN ASP 40 10.986 -8.702 4.748 324 HA ASP 40 HA ASP 40 13.361 -7.187 4.600 325 HB2 ASP 40 HB2 ASP 40 13.203 -9.475 5.596 326 HB3 ASP 40 HB1 ASP 40 13.055 -10.130 3.975 327 H ARG 41 HN ARG 41 11.671 -9.099 2.201 328 HA ARG 41 HA ARG 41 13.328 -8.757 -0.023 329 HB2 ARG 41 HB2 ARG 41 10.329 -8.951 0.157 330 HB3 ARG 41 HB1 ARG 41 11.167 -8.849 -1.376 331 HG2 ARG 41 HG2 ARG 41 12.306 -10.939 -0.927 332 HG3 ARG 41 HG1 ARG 41 11.572 -11.013 0.678 333 HD2 ARG 41 HD2 ARG 41 10.425 -12.433 -1.018 334 HD3 ARG 41 HD1 ARG 41 9.376 -11.234 -0.262 335 HE ARG 41 HE ARG 41 10.411 -10.117 -2.598 336 HH11 ARG 41 HH11 ARG 41 8.254 -12.819 -1.784 337 HH12 ARG 41 HH12 ARG 41 7.311 -12.648 -3.193 338 HH21 ARG 41 HH21 ARG 41 9.123 -9.909 -4.497 339 HH22 ARG 41 HH22 ARG 41 7.782 -10.931 -4.775 340 H LEU 42 HN LEU 42 10.750 -6.664 1.164 341 HA LEU 42 HA LEU 42 11.068 -4.728 -0.866 342 HB2 LEU 42 HB2 LEU 42 9.781 -4.544 1.850 343 HB3 LEU 42 HB1 LEU 42 9.736 -3.249 0.671 344 HG LEU 42 HG LEU 42 8.603 -6.012 0.179 345 HD11 LEU 42 HD11 LEU 42 7.375 -4.865 1.933 346 HD12 LEU 42 HD12 LEU 42 6.431 -4.959 0.449 347 HD13 LEU 42 HD13 LEU 42 7.214 -3.445 0.899 348 HD21 LEU 42 HD21 LEU 42 8.257 -3.427 -1.340 349 HD22 LEU 42 HD22 LEU 42 7.509 -4.961 -1.716 350 HD23 LEU 42 HD23 LEU 42 9.258 -4.787 -1.863 351 H ARG 43 HN ARG 43 12.419 -4.998 2.381 352 HA ARG 43 HA ARG 43 13.845 -2.569 2.427 353 HB2 ARG 43 HB2 ARG 43 14.631 -5.250 3.609 354 HB3 ARG 43 HB1 ARG 43 15.474 -3.751 3.950 355 HG2 ARG 43 HG2 ARG 43 13.442 -2.854 4.991 356 HG3 ARG 43 HG1 ARG 43 12.599 -4.362 4.638 357 HD2 ARG 43 HD2 ARG 43 14.196 -5.589 6.038 358 HD3 ARG 43 HD1 ARG 43 15.060 -4.088 6.355 359 HE ARG 43 HE ARG 43 12.543 -3.558 7.181 360 HH11 ARG 43 HH11 ARG 43 14.919 -6.073 8.012 361 HH12 ARG 43 HH12 ARG 43 14.324 -6.322 9.577 362 HH21 ARG 43 HH21 ARG 43 11.730 -3.899 9.395 363 HH22 ARG 43 HH22 ARG 43 12.482 -5.042 10.388 364 H ALA 44 HN ALA 44 14.741 -5.732 1.165 365 HA ALA 44 HA ALA 44 17.297 -5.131 0.231 366 HB1 ALA 44 HB1 ALA 44 17.061 -7.102 -1.178 367 HB2 ALA 44 HB2 ALA 44 15.318 -7.099 -0.911 368 HB3 ALA 44 HB3 ALA 44 16.409 -7.412 0.432 369 H THR 45 HN THR 45 14.199 -5.066 -1.463 370 HA THR 45 HA THR 45 15.138 -4.266 -3.994 371 HB THR 45 HB THR 45 12.427 -3.684 -2.760 372 HG1 THR 45 HG1 THR 45 12.878 -5.904 -2.620 373 HG21 THR 45 HG21 THR 45 13.273 -4.030 -5.653 374 HG22 THR 45 HG22 THR 45 12.820 -2.504 -4.891 375 HG23 THR 45 HG23 THR 45 11.619 -3.780 -5.090 376 H CYS 46 HN CYS 46 14.257 -2.410 -1.159 377 HA CYS 46 HA CYS 46 14.221 0.143 -2.366 378 HB2 CYS 46 HB2 CYS 46 13.170 -0.493 -0.216 379 HB3 CYS 46 HB1 CYS 46 14.728 -0.618 0.518 380 HG CYS 46 HG CYS 46 15.053 1.889 1.099 381 H THR 47 HN THR 47 16.596 -1.672 -0.639 382 HA THR 47 HA THR 47 18.669 0.249 -0.823 383 HB THR 47 HB THR 47 18.940 -2.744 -0.470 384 HG1 THR 47 HG1 THR 47 17.863 -2.371 1.292 385 HG21 THR 47 HG21 THR 47 20.672 -0.438 0.480 386 HG22 THR 47 HG22 THR 47 21.060 -1.505 -0.867 387 HG23 THR 47 HG23 THR 47 20.973 -2.151 0.771 388 H LEU 48 HN LEU 48 17.659 -2.430 -2.850 389 HA LEU 48 HA LEU 48 19.878 -2.367 -4.620 390 HB2 LEU 48 HB2 LEU 48 17.134 -3.556 -4.866 391 HB3 LEU 48 HB1 LEU 48 18.324 -3.729 -6.123 392 HG LEU 48 HG LEU 48 18.597 -4.769 -3.292 393 HD11 LEU 48 HD11 LEU 48 16.908 -5.976 -4.573 394 HD12 LEU 48 HD12 LEU 48 18.346 -6.967 -4.318 395 HD13 LEU 48 HD13 LEU 48 18.066 -6.209 -5.884 396 HD21 LEU 48 HD21 LEU 48 20.766 -4.215 -4.253 397 HD22 LEU 48 HD22 LEU 48 20.365 -5.114 -5.713 398 HD23 LEU 48 HD23 LEU 48 20.559 -5.965 -4.183 399 H SER 49 HN SER 49 16.495 -1.467 -5.325 400 HA SER 49 HA SER 49 17.545 0.070 -7.566 401 HB2 SER 49 HB2 SER 49 15.768 -1.662 -7.988 402 HB3 SER 49 HB1 SER 49 14.679 -0.712 -6.987 403 HG SER 49 HG SER 49 14.308 -0.194 -9.112 404 H GLY 50 HN GLY 50 15.169 0.467 -4.888 405 HA2 GLY 50 HA2 GLY 50 15.913 2.778 -3.878 406 HA3 GLY 50 HA1 GLY 50 15.105 3.300 -5.352 407 H ASN 51 HN ASN 51 13.995 4.162 -3.183 408 HA ASN 51 HA ASN 51 12.196 2.400 -1.830 409 HB2 ASN 51 HB2 ASN 51 13.017 4.661 -0.941 410 HB3 ASN 51 HB1 ASN 51 11.910 5.396 -2.074 411 HD21 ASN 51 HD21 ASN 51 9.784 5.539 -1.476 412 HD22 ASN 51 HD22 ASN 51 9.318 4.988 0.070 413 H ARG 52 HN ARG 52 11.942 4.576 -4.457 414 HA ARG 52 HA ARG 52 9.140 4.497 -4.869 415 HB2 ARG 52 HB2 ARG 52 10.639 6.196 -5.886 416 HB3 ARG 52 HB1 ARG 52 11.241 4.973 -6.990 417 HG2 ARG 52 HG2 ARG 52 8.871 4.702 -7.814 418 HG3 ARG 52 HG1 ARG 52 8.461 6.122 -6.852 419 HD2 ARG 52 HD2 ARG 52 10.411 5.966 -9.148 420 HD3 ARG 52 HD1 ARG 52 8.870 6.820 -9.112 421 HE ARG 52 HE ARG 52 10.456 7.814 -7.053 422 HH11 ARG 52 HH11 ARG 52 10.387 7.854 -10.582 423 HH12 ARG 52 HH12 ARG 52 11.325 9.265 -10.740 424 HH21 ARG 52 HH21 ARG 52 11.739 9.696 -7.234 425 HH22 ARG 52 HH22 ARG 52 12.144 10.360 -8.744 426 H ASP 53 HN ASP 53 11.732 2.547 -6.274 427 HA ASP 53 HA ASP 53 10.125 0.968 -8.010 428 HB2 ASP 53 HB2 ASP 53 12.720 1.069 -7.874 429 HB3 ASP 53 HB1 ASP 53 12.550 -0.062 -6.541 430 H THR 54 HN THR 54 11.067 0.734 -4.697 431 HA THR 54 HA THR 54 9.970 -1.763 -4.088 432 HB THR 54 HB THR 54 10.597 0.572 -2.265 433 HG1 THR 54 HG1 THR 54 12.462 0.080 -3.266 434 HG21 THR 54 HG21 THR 54 10.951 -1.130 -0.564 435 HG22 THR 54 HG22 THR 54 10.526 -2.396 -1.707 436 HG23 THR 54 HG23 THR 54 9.294 -1.252 -1.168 437 H LEU 55 HN LEU 55 8.601 1.467 -4.218 438 HA LEU 55 HA LEU 55 6.227 1.181 -2.841 439 HB2 LEU 55 HB2 LEU 55 6.932 2.691 -5.313 440 HB3 LEU 55 HB1 LEU 55 5.269 2.647 -4.775 441 HG LEU 55 HG LEU 55 7.524 3.624 -3.024 442 HD11 LEU 55 HD11 LEU 55 6.686 5.855 -3.556 443 HD12 LEU 55 HD12 LEU 55 5.574 5.174 -4.738 444 HD13 LEU 55 HD13 LEU 55 7.310 5.102 -5.034 445 HD21 LEU 55 HD21 LEU 55 5.601 2.985 -1.784 446 HD22 LEU 55 HD22 LEU 55 4.560 3.797 -2.977 447 HD23 LEU 55 HD23 LEU 55 5.652 4.756 -1.982 448 H TRP 56 HN TRP 56 6.829 0.321 -6.224 449 HA TRP 56 HA TRP 56 4.184 -0.607 -6.629 450 HB2 TRP 56 HB2 TRP 56 5.749 0.069 -8.484 451 HB3 TRP 56 HB1 TRP 56 6.606 -1.454 -8.228 452 HD1 TRP 56 HD1 TRP 56 5.601 -3.589 -9.351 453 HE1 TRP 56 HE1 TRP 56 3.504 -4.055 -10.764 454 HE3 TRP 56 HE3 TRP 56 3.230 0.897 -8.772 455 HZ2 TRP 56 HZ2 TRP 56 1.160 -2.685 -11.532 456 HZ3 TRP 56 HZ3 TRP 56 1.060 1.236 -9.875 457 HH2 TRP 56 HH2 TRP 56 0.051 -0.518 -11.228 458 H HIS 57 HN HIS 57 7.197 -2.216 -5.823 459 HA HIS 57 HA HIS 57 6.152 -4.825 -5.786 460 HB2 HIS 57 HB2 HIS 57 8.609 -3.597 -4.576 461 HB3 HIS 57 HB1 HIS 57 8.171 -5.255 -4.188 462 HD1 HIS 57 HD1 HIS 57 9.891 -3.243 -6.827 463 HD2 HIS 57 HD2 HIS 57 8.098 -6.991 -6.449 464 HE1 HIS 57 HE1 HIS 57 10.649 -4.587 -8.784 465 H LEU 58 HN LEU 58 6.269 -2.326 -3.365 466 HA LEU 58 HA LEU 58 5.359 -3.740 -1.145 467 HB2 LEU 58 HB2 LEU 58 6.171 -1.519 -0.930 468 HB3 LEU 58 HB1 LEU 58 4.986 -0.905 -2.034 469 HG LEU 58 HG LEU 58 3.215 -1.530 -0.322 470 HD11 LEU 58 HD11 LEU 58 3.898 -1.808 1.999 471 HD12 LEU 58 HD12 LEU 58 5.586 -1.861 1.492 472 HD13 LEU 58 HD13 LEU 58 4.471 -3.127 0.978 473 HD21 LEU 58 HD21 LEU 58 3.632 0.437 1.098 474 HD22 LEU 58 HD22 LEU 58 3.875 0.763 -0.617 475 HD23 LEU 58 HD23 LEU 58 5.267 0.545 0.442 476 H PHE 59 HN PHE 59 3.518 -1.754 -3.408 477 HA PHE 59 HA PHE 59 0.970 -2.436 -2.494 478 HB2 PHE 59 HB2 PHE 59 1.725 -1.747 -5.351 479 HB3 PHE 59 HB1 PHE 59 0.081 -1.797 -4.741 480 HD1 PHE 59 HD2 PHE 59 0.058 -0.362 -2.291 481 HD2 PHE 59 HD1 PHE 59 2.407 0.406 -5.759 482 HE1 PHE 59 HE2 PHE 59 0.266 2.016 -1.638 483 HE2 PHE 59 HE1 PHE 59 2.602 2.777 -5.096 484 HZ PHE 59 HZ PHE 59 1.531 3.566 -3.039 485 H ASN 60 HN ASN 60 2.888 -4.055 -4.949 486 HA ASN 60 HA ASN 60 1.124 -6.092 -5.727 487 HB2 ASN 60 HB2 ASN 60 3.174 -5.708 -6.951 488 HB3 ASN 60 HB1 ASN 60 4.144 -6.061 -5.531 489 HD21 ASN 60 HD21 ASN 60 2.273 -7.391 -8.109 490 HD22 ASN 60 HD22 ASN 60 2.754 -9.033 -7.891 491 H THR 61 HN THR 61 3.493 -6.062 -3.117 492 HA THR 61 HA THR 61 2.893 -8.752 -2.352 493 HB THR 61 HB THR 61 4.636 -6.677 -1.001 494 HG1 THR 61 HG1 THR 61 5.499 -6.959 -2.959 495 HG21 THR 61 HG21 THR 61 4.103 -8.627 0.419 496 HG22 THR 61 HG22 THR 61 5.801 -8.617 -0.062 497 HG23 THR 61 HG23 THR 61 4.665 -9.699 -0.862 498 H LEU 62 HN LEU 62 1.868 -5.565 -1.335 499 HA LEU 62 HA LEU 62 0.983 -6.252 1.216 500 HB2 LEU 62 HB2 LEU 62 1.728 -4.073 0.665 501 HB3 LEU 62 HB1 LEU 62 0.614 -3.960 -0.670 502 HG LEU 62 HG LEU 62 -1.197 -3.850 0.793 503 HD11 LEU 62 HD11 LEU 62 -0.448 -5.142 2.707 504 HD12 LEU 62 HD12 LEU 62 -0.737 -3.501 3.306 505 HD13 LEU 62 HD13 LEU 62 0.900 -4.053 2.965 506 HD21 LEU 62 HD21 LEU 62 0.992 -1.892 1.434 507 HD22 LEU 62 HD22 LEU 62 -0.713 -1.627 1.791 508 HD23 LEU 62 HD23 LEU 62 -0.181 -1.796 0.119 509 H GLN 63 HN GLN 63 -0.577 -5.896 -1.980 510 HA GLN 63 HA GLN 63 -3.238 -6.091 -1.059 511 HB2 GLN 63 HB2 GLN 63 -3.891 -6.402 -3.364 512 HB3 GLN 63 HB1 GLN 63 -2.625 -5.190 -3.277 513 HG2 GLN 63 HG2 GLN 63 -0.996 -6.741 -4.077 514 HG3 GLN 63 HG1 GLN 63 -2.138 -8.074 -3.990 515 HE21 GLN 63 HE21 GLN 63 -0.648 -7.174 -6.245 516 HE22 GLN 63 HE22 GLN 63 -1.774 -6.732 -7.458 517 H ARG 64 HN ARG 64 -0.923 -8.447 -1.166 518 HA ARG 64 HA ARG 64 -2.474 -10.739 -1.844 519 HB2 ARG 64 HB2 ARG 64 0.153 -10.440 -0.407 520 HB3 ARG 64 HB1 ARG 64 -0.570 -11.997 -0.779 521 HG2 ARG 64 HG2 ARG 64 -0.409 -11.579 -3.135 522 HG3 ARG 64 HG1 ARG 64 0.117 -9.919 -2.847 523 HD2 ARG 64 HD2 ARG 64 1.972 -11.464 -3.429 524 HD3 ARG 64 HD1 ARG 64 2.169 -10.678 -1.863 525 HE ARG 64 HE ARG 64 0.973 -13.332 -1.909 526 HH11 ARG 64 HH11 ARG 64 3.900 -11.413 -1.373 527 HH12 ARG 64 HH12 ARG 64 4.576 -12.489 -0.245 528 HH21 ARG 64 HH21 ARG 64 1.964 -14.896 -0.504 529 HH22 ARG 64 HH22 ARG 64 3.498 -14.565 0.189 530 H ARG 65 HN ARG 65 -1.967 -8.941 1.116 531 HA ARG 65 HA ARG 65 -3.421 -10.971 2.596 532 HB2 ARG 65 HB2 ARG 65 -1.537 -8.799 3.324 533 HB3 ARG 65 HB1 ARG 65 -2.823 -9.154 4.463 534 HG2 ARG 65 HG2 ARG 65 -0.727 -10.251 4.953 535 HG3 ARG 65 HG1 ARG 65 -2.030 -11.427 4.733 536 HD2 ARG 65 HD2 ARG 65 -0.025 -12.272 3.718 537 HD3 ARG 65 HD1 ARG 65 -1.100 -11.781 2.408 538 HE ARG 65 HE ARG 65 0.307 -9.637 2.529 539 HH11 ARG 65 HH11 ARG 65 1.678 -12.867 3.206 540 HH12 ARG 65 HH12 ARG 65 3.183 -12.495 2.514 541 HH21 ARG 65 HH21 ARG 65 2.408 -9.240 1.509 542 HH22 ARG 65 HH22 ARG 65 3.596 -10.492 1.558 543 HA PRO 66 HA PRO 66 -7.050 -8.448 1.778 544 HB2 PRO 66 HB2 PRO 66 -8.165 -10.162 3.933 545 HB3 PRO 66 HB1 PRO 66 -8.793 -9.860 2.310 546 HG2 PRO 66 HG2 PRO 66 -7.646 -12.187 2.895 547 HG3 PRO 66 HG1 PRO 66 -7.352 -11.403 1.330 548 HD2 PRO 66 HD2 PRO 66 -5.588 -11.520 3.748 549 HD3 PRO 66 HD1 PRO 66 -5.179 -11.675 2.023 550 H GLY 67 HN GLY 67 -7.914 -6.686 2.717 551 HA2 GLY 67 HA2 GLY 67 -8.431 -5.098 4.323 552 HA3 GLY 67 HA1 GLY 67 -7.978 -6.280 5.550 553 H TRP 68 HN TRP 68 -5.971 -5.244 2.940 554 HA TRP 68 HA TRP 68 -3.859 -4.542 4.739 555 HB2 TRP 68 HB2 TRP 68 -2.593 -4.148 2.642 556 HB3 TRP 68 HB1 TRP 68 -3.308 -5.750 2.738 557 HD1 TRP 68 HD1 TRP 68 -5.187 -6.353 0.923 558 HE1 TRP 68 HE1 TRP 68 -5.864 -5.274 -1.311 559 HE3 TRP 68 HE3 TRP 68 -2.848 -1.831 1.443 560 HZ2 TRP 68 HZ2 TRP 68 -5.474 -2.840 -2.667 561 HZ3 TRP 68 HZ3 TRP 68 -3.045 -0.185 -0.374 562 HH2 TRP 68 HH2 TRP 68 -4.324 -0.672 -2.384 563 H VAL 69 HN VAL 69 -6.343 -2.877 3.132 564 HA VAL 69 HA VAL 69 -5.023 -0.543 2.328 565 HB VAL 69 HB VAL 69 -7.957 -0.773 2.978 566 HG11 VAL 69 HG11 VAL 69 -7.268 1.503 2.651 567 HG12 VAL 69 HG12 VAL 69 -8.175 0.949 1.233 568 HG13 VAL 69 HG13 VAL 69 -6.421 1.065 1.166 569 HG21 VAL 69 HG21 VAL 69 -8.274 -1.348 0.611 570 HG22 VAL 69 HG22 VAL 69 -7.330 -2.569 1.464 571 HG23 VAL 69 HG23 VAL 69 -6.525 -1.415 0.400 572 H GLU 70 HN GLU 70 -7.116 -1.060 5.184 573 HA GLU 70 HA GLU 70 -6.916 1.518 6.117 574 HB2 GLU 70 HB2 GLU 70 -7.402 -0.944 7.769 575 HB3 GLU 70 HB1 GLU 70 -7.894 0.707 8.105 576 HG2 GLU 70 HG2 GLU 70 -9.874 -0.087 7.311 577 HG3 GLU 70 HG1 GLU 70 -9.147 0.434 5.796 578 H TYR 71 HN TYR 71 -4.804 -1.267 6.746 579 HA TYR 71 HA TYR 71 -3.396 0.066 8.799 580 HB2 TYR 71 HB2 TYR 71 -2.647 -2.348 7.140 581 HB3 TYR 71 HB1 TYR 71 -1.805 -1.775 8.563 582 HD1 TYR 71 HD2 TYR 71 -2.836 -1.908 10.806 583 HD2 TYR 71 HD1 TYR 71 -4.742 -3.565 7.389 584 HE1 TYR 71 HE2 TYR 71 -4.350 -3.179 12.269 585 HE2 TYR 71 HE1 TYR 71 -6.255 -4.837 8.842 586 HH TYR 71 HH TYR 71 -6.401 -5.660 11.074 587 H PHE 72 HN PHE 72 -3.183 -0.189 5.341 588 HA PHE 72 HA PHE 72 -0.639 1.002 5.121 589 HB2 PHE 72 HB2 PHE 72 -1.623 -0.282 3.265 590 HB3 PHE 72 HB1 PHE 72 -2.909 0.908 3.116 591 HD1 PHE 72 HD1 PHE 72 0.830 0.866 3.202 592 HD2 PHE 72 HD2 PHE 72 -2.697 2.400 1.384 593 HE1 PHE 72 HE1 PHE 72 2.208 2.124 1.613 594 HE2 PHE 72 HE2 PHE 72 -1.319 3.672 -0.208 595 HZ PHE 72 HZ PHE 72 1.138 3.532 -0.092 596 H ILE 73 HN ILE 73 -3.940 2.291 5.067 597 HA ILE 73 HA ILE 73 -3.421 5.005 4.622 598 HB ILE 73 HB ILE 73 -5.469 3.902 6.582 599 HG12 ILE 73 HG12 ILE 73 -5.819 4.580 3.654 600 HG13 ILE 73 HG11 ILE 73 -5.679 2.945 4.293 601 HG21 ILE 73 HG21 ILE 73 -5.383 6.558 5.139 602 HG22 ILE 73 HG22 ILE 73 -5.075 6.297 6.849 603 HG23 ILE 73 HG23 ILE 73 -6.685 5.996 6.193 604 HD11 ILE 73 HD11 ILE 73 -7.994 3.557 3.811 605 HD12 ILE 73 HD12 ILE 73 -7.862 4.905 4.950 606 HD13 ILE 73 HD13 ILE 73 -7.759 3.256 5.534 607 H ALA 74 HN ALA 74 -3.529 3.245 7.661 608 HA ALA 74 HA ALA 74 -2.863 5.385 9.347 609 HB1 ALA 74 HB1 ALA 74 -3.960 3.354 10.138 610 HB2 ALA 74 HB2 ALA 74 -2.496 3.692 11.065 611 HB3 ALA 74 HB3 ALA 74 -2.490 2.436 9.826 612 H ALA 75 HN ALA 75 -0.882 3.510 7.273 613 HA ALA 75 HA ALA 75 1.562 3.813 8.723 614 HB1 ALA 75 HB1 ALA 75 1.141 3.239 5.795 615 HB2 ALA 75 HB2 ALA 75 1.250 2.033 7.070 616 HB3 ALA 75 HB3 ALA 75 2.644 3.045 6.696 617 H LEU 76 HN LEU 76 0.123 5.486 5.861 618 HA LEU 76 HA LEU 76 2.151 7.328 5.562 619 HB2 LEU 76 HB2 LEU 76 -0.778 7.429 4.929 620 HB3 LEU 76 HB1 LEU 76 0.335 8.695 4.474 621 HG LEU 76 HG LEU 76 -0.102 7.404 2.623 622 HD11 LEU 76 HD11 LEU 76 2.198 8.093 2.799 623 HD12 LEU 76 HD12 LEU 76 2.080 6.551 1.951 624 HD13 LEU 76 HD13 LEU 76 2.607 6.590 3.630 625 HD21 LEU 76 HD21 LEU 76 0.326 5.006 2.398 626 HD22 LEU 76 HD22 LEU 76 -0.941 5.378 3.567 627 HD23 LEU 76 HD23 LEU 76 0.674 4.934 4.124 628 H ARG 77 HN ARG 77 -0.778 7.425 7.517 629 HA ARG 77 HA ARG 77 -0.359 10.079 8.443 630 HB2 ARG 77 HB2 ARG 77 -2.557 8.972 8.526 631 HB3 ARG 77 HB1 ARG 77 -1.938 7.836 9.712 632 HG2 ARG 77 HG2 ARG 77 -1.660 9.576 11.338 633 HG3 ARG 77 HG1 ARG 77 -2.087 10.814 10.164 634 HD2 ARG 77 HD2 ARG 77 -3.937 10.311 11.677 635 HD3 ARG 77 HD1 ARG 77 -4.339 9.905 10.005 636 HE ARG 77 HE ARG 77 -3.532 7.573 10.848 637 HH11 ARG 77 HH11 ARG 77 -5.556 9.879 12.594 638 HH12 ARG 77 HH12 ARG 77 -6.516 8.715 13.358 639 HH21 ARG 77 HH21 ARG 77 -4.809 5.949 11.904 640 HH22 ARG 77 HH22 ARG 77 -6.079 6.397 12.953 641 H GLY 78 HN GLY 78 0.741 6.980 9.419 642 HA2 GLY 78 HA2 GLY 78 1.789 7.678 11.965 643 HA3 GLY 78 HA1 GLY 78 2.198 6.250 11.027 644 H CYS 79 HN CYS 79 3.113 7.854 8.689 645 HA CYS 79 HA CYS 79 5.657 8.719 9.830 646 HB2 CYS 79 HB2 CYS 79 6.521 8.595 7.484 647 HB3 CYS 79 HB1 CYS 79 5.870 7.069 8.056 648 HG CYS 79 HG CYS 79 4.950 8.979 5.513 649 H GLU 80 HN GLU 80 2.964 10.115 9.547 650 HA GLU 80 HA GLU 80 2.162 12.166 9.527 651 HB2 GLU 80 HB2 GLU 80 5.022 13.101 9.394 652 HB3 GLU 80 HB1 GLU 80 3.639 14.116 9.760 653 HG2 GLU 80 HG2 GLU 80 3.178 12.525 11.687 654 HG3 GLU 80 HG1 GLU 80 4.797 11.889 11.390 655 H LEU 81 HN LEU 81 2.976 10.792 6.983 656 HA LEU 81 HA LEU 81 2.733 13.072 5.186 657 HB2 LEU 81 HB2 LEU 81 3.064 10.115 4.579 658 HB3 LEU 81 HB1 LEU 81 3.033 11.386 3.378 659 HG LEU 81 HG LEU 81 5.171 10.974 5.476 660 HD11 LEU 81 HD11 LEU 81 5.290 9.335 3.690 661 HD12 LEU 81 HD12 LEU 81 6.624 10.475 3.570 662 HD13 LEU 81 HD13 LEU 81 5.245 10.618 2.486 663 HD21 LEU 81 HD21 LEU 81 6.381 12.784 4.332 664 HD22 LEU 81 HD22 LEU 81 4.872 13.353 5.034 665 HD23 LEU 81 HD23 LEU 81 4.981 13.055 3.297 666 H VAL 82 HN VAL 82 0.751 13.368 6.409 667 HA VAL 82 HA VAL 82 -1.379 11.518 6.293 668 HB VAL 82 HB VAL 82 -1.489 14.479 6.962 669 HG11 VAL 82 HG11 VAL 82 -3.705 13.583 6.494 670 HG12 VAL 82 HG12 VAL 82 -3.515 13.934 8.214 671 HG13 VAL 82 HG13 VAL 82 -3.423 12.270 7.638 672 HG21 VAL 82 HG21 VAL 82 -1.120 12.088 8.760 673 HG22 VAL 82 HG22 VAL 82 -1.366 13.743 9.307 674 HG23 VAL 82 HG23 VAL 82 0.091 13.323 8.403 675 H ASP 83 HN ASP 83 -0.256 13.929 4.140 676 HA ASP 83 HA ASP 83 -2.584 14.450 2.640 677 HB2 ASP 83 HB2 ASP 83 -0.386 15.627 2.302 678 HB3 ASP 83 HB1 ASP 83 0.235 14.154 1.571 679 H LEU 84 HN LEU 84 -0.052 12.048 2.238 680 HA LEU 84 HA LEU 84 -1.288 10.564 0.191 681 HB2 LEU 84 HB2 LEU 84 0.814 9.803 2.200 682 HB3 LEU 84 HB1 LEU 84 0.356 8.804 0.835 683 HG LEU 84 HG LEU 84 1.520 11.580 0.572 684 HD11 LEU 84 HD11 LEU 84 3.578 10.433 -0.101 685 HD12 LEU 84 HD12 LEU 84 2.840 8.880 0.280 686 HD13 LEU 84 HD13 LEU 84 3.148 10.047 1.563 687 HD21 LEU 84 HD21 LEU 84 0.148 10.868 -1.330 688 HD22 LEU 84 HD22 LEU 84 1.077 9.363 -1.402 689 HD23 LEU 84 HD23 LEU 84 1.868 10.889 -1.745 690 H ALA 85 HN ALA 85 -1.567 10.457 3.658 691 HA ALA 85 HA ALA 85 -2.844 7.931 3.865 692 HB1 ALA 85 HB1 ALA 85 -3.158 10.320 5.693 693 HB2 ALA 85 HB2 ALA 85 -1.895 9.096 5.829 694 HB3 ALA 85 HB3 ALA 85 -3.584 8.653 6.079 695 H ASP 86 HN ASP 86 -4.061 11.223 3.513 696 HA ASP 86 HA ASP 86 -6.803 10.543 3.605 697 HB2 ASP 86 HB2 ASP 86 -5.983 12.856 3.947 698 HB3 ASP 86 HB1 ASP 86 -5.521 12.920 2.253 699 H GLU 87 HN GLU 87 -4.449 10.767 0.985 700 HA GLU 87 HA GLU 87 -6.057 10.564 -1.212 701 HB2 GLU 87 HB2 GLU 87 -3.324 9.445 -0.664 702 HB3 GLU 87 HB1 GLU 87 -4.067 9.546 -2.245 703 HG2 GLU 87 HG2 GLU 87 -3.472 11.898 -0.475 704 HG3 GLU 87 HG1 GLU 87 -2.442 11.346 -1.790 705 H VAL 88 HN VAL 88 -4.972 8.059 1.022 706 HA VAL 88 HA VAL 88 -6.104 5.957 -0.653 707 HB VAL 88 HB VAL 88 -4.963 5.681 2.136 708 HG11 VAL 88 HG11 VAL 88 -4.641 3.331 1.538 709 HG12 VAL 88 HG12 VAL 88 -5.374 3.634 -0.039 710 HG13 VAL 88 HG13 VAL 88 -6.339 3.800 1.427 711 HG21 VAL 88 HG21 VAL 88 -3.277 6.627 0.683 712 HG22 VAL 88 HG22 VAL 88 -3.560 5.346 -0.499 713 HG23 VAL 88 HG23 VAL 88 -2.880 4.956 1.084 714 H ALA 89 HN ALA 89 -6.698 7.545 2.433 715 HA ALA 89 HA ALA 89 -8.726 5.947 3.437 716 HB1 ALA 89 HB1 ALA 89 -9.295 7.813 4.878 717 HB2 ALA 89 HB2 ALA 89 -8.384 8.913 3.844 718 HB3 ALA 89 HB3 ALA 89 -7.545 7.648 4.741 719 H SER 90 HN SER 90 -8.976 8.713 1.263 720 HA SER 90 HA SER 90 -11.784 8.814 1.279 721 HB2 SER 90 HB2 SER 90 -11.377 10.168 -0.833 722 HB3 SER 90 HB1 SER 90 -10.562 10.748 0.625 723 HG SER 90 HG SER 90 -8.704 10.302 -0.229 724 H VAL 91 HN VAL 91 -9.429 7.108 -0.665 725 HA VAL 91 HA VAL 91 -11.206 6.235 -2.678 726 HB VAL 91 HB VAL 91 -8.539 5.055 -1.847 727 HG11 VAL 91 HG11 VAL 91 -8.518 4.020 -4.077 728 HG12 VAL 91 HG12 VAL 91 -10.155 4.612 -4.363 729 HG13 VAL 91 HG13 VAL 91 -9.853 3.421 -3.093 730 HG21 VAL 91 HG21 VAL 91 -9.282 6.963 -4.050 731 HG22 VAL 91 HG22 VAL 91 -7.684 6.272 -3.773 732 HG23 VAL 91 HG23 VAL 91 -8.396 7.354 -2.576 733 H TYR 92 HN TYR 92 -10.067 4.668 0.295 734 HA TYR 92 HA TYR 92 -11.628 2.347 -0.313 735 HB2 TYR 92 HB2 TYR 92 -9.544 2.299 1.105 736 HB3 TYR 92 HB1 TYR 92 -10.493 3.006 2.408 737 HD1 TYR 92 HD2 TYR 92 -10.666 0.140 0.012 738 HD2 TYR 92 HD1 TYR 92 -11.509 1.547 3.940 739 HE1 TYR 92 HE2 TYR 92 -11.505 -2.087 0.615 740 HE2 TYR 92 HE1 TYR 92 -12.365 -0.684 4.553 741 HH TYR 92 HH TYR 92 -11.969 -3.470 2.513 742 H GLN 93 HN GLN 93 -12.295 5.334 1.180 743 HA GLN 93 HA GLN 93 -14.701 4.429 2.450 744 HB2 GLN 93 HB2 GLN 93 -13.548 6.531 3.126 745 HB3 GLN 93 HB1 GLN 93 -13.952 7.227 1.564 746 HG2 GLN 93 HG2 GLN 93 -16.338 6.969 2.084 747 HG3 GLN 93 HG1 GLN 93 -15.903 6.335 3.669 748 HE21 GLN 93 HE21 GLN 93 -16.091 9.102 1.657 749 HE22 GLN 93 HE22 GLN 93 -15.779 10.287 2.875 750 H SER 94 HN SER 94 -13.706 5.356 -0.684 751 HA SER 94 HA SER 94 -16.342 5.743 -1.749 752 HB2 SER 94 HB2 SER 94 -13.719 5.291 -3.199 753 HB3 SER 94 HB1 SER 94 -15.201 5.921 -3.912 754 HG SER 94 HG SER 94 -13.727 7.149 -1.810 755 H TYR 95 HN TYR 95 -13.813 3.261 -1.941 756 HA TYR 95 HA TYR 95 -15.720 1.371 -3.098 757 HB2 TYR 95 HB2 TYR 95 -12.732 1.122 -2.697 758 HB3 TYR 95 HB1 TYR 95 -13.785 -0.059 -3.453 759 HD1 TYR 95 HD2 TYR 95 -15.209 0.817 -5.452 760 HD2 TYR 95 HD1 TYR 95 -11.640 2.650 -4.063 761 HE1 TYR 95 HE2 TYR 95 -14.924 1.881 -7.629 762 HE2 TYR 95 HE1 TYR 95 -11.340 3.732 -6.252 763 HH TYR 95 HH TYR 95 -12.060 3.237 -8.598 764 H GLN 96 HN GLN 96 -16.993 0.742 -1.682 765 HA GLN 96 HA GLN 96 -16.288 -1.361 -0.054 766 HB2 GLN 96 HB2 GLN 96 -17.007 -0.356 2.182 767 HB3 GLN 96 HB1 GLN 96 -15.420 0.129 1.601 768 HG2 GLN 96 HG2 GLN 96 -16.302 2.149 0.774 769 HG3 GLN 96 HG1 GLN 96 -17.932 1.721 1.298 770 HE21 GLN 96 HE21 GLN 96 -14.985 1.139 3.091 771 HE22 GLN 96 HE22 GLN 96 -15.323 2.180 4.424 772 HA PRO 97 HA PRO 97 -20.595 -1.225 -1.452 773 HB2 PRO 97 HB2 PRO 97 -20.699 -3.681 -2.412 774 HB3 PRO 97 HB1 PRO 97 -19.736 -2.455 -3.250 775 HG2 PRO 97 HG2 PRO 97 -18.833 -4.523 -1.279 776 HG3 PRO 97 HG1 PRO 97 -18.145 -4.233 -2.869 777 HD2 PRO 97 HD2 PRO 97 -17.089 -3.195 -0.609 778 HD3 PRO 97 HD1 PRO 97 -17.037 -2.270 -2.122 779 H ARG 98 HN ARG 98 -18.995 -2.893 0.963 780 HA ARG 98 HA ARG 98 -21.444 -4.159 1.940 781 HB2 ARG 98 HB2 ARG 98 -18.564 -4.952 2.374 782 HB3 ARG 98 HB1 ARG 98 -19.941 -5.710 3.139 783 HG2 ARG 98 HG2 ARG 98 -19.302 -5.706 0.186 784 HG3 ARG 98 HG1 ARG 98 -19.156 -7.069 1.295 785 HD2 ARG 98 HD2 ARG 98 -21.711 -5.676 0.470 786 HD3 ARG 98 HD1 ARG 98 -21.170 -7.276 -0.025 787 HE ARG 98 HE ARG 98 -21.298 -7.279 2.747 788 HH11 ARG 98 HH11 ARG 98 -23.537 -7.042 0.006 789 HH12 ARG 98 HH12 ARG 98 -24.875 -7.645 0.863 790 HH21 ARG 98 HH21 ARG 98 -23.155 -8.124 3.922 791 HH22 ARG 98 HH22 ARG 98 -24.654 -8.281 3.147 792 H THR 99 HN THR 99 -21.057 -4.520 4.421 793 HA THR 99 HA THR 99 -20.466 -1.889 5.489 794 HB THR 99 HB THR 99 -22.705 -2.638 6.000 795 HG1 THR 99 HG1 THR 99 -21.776 -3.298 8.473 796 HG21 THR 99 HG21 THR 99 -23.174 -4.720 7.199 797 HG22 THR 99 HG22 THR 99 -21.465 -5.157 7.106 798 HG23 THR 99 HG23 THR 99 -22.430 -5.010 5.633 799 H SER 100 HN SER 100 -19.561 -2.128 7.881 800 HA SER 100 HA SER 100 -17.698 -4.284 8.136 801 HB2 SER 100 HB2 SER 100 -16.813 -1.383 7.987 802 HB3 SER 100 HB1 SER 100 -15.776 -2.763 8.361 803 HG SER 100 HG SER 100 -17.224 -3.138 6.126 Start of MODEL 9 1 H1 GLY -1 HT1 GLY -1 -8.853 -19.193 1.522 2 H2 GLY -1 HT2 GLY -1 -9.326 -20.352 0.392 3 H3 GLY -1 HT3 GLY -1 -10.480 -19.339 1.111 4 HA2 GLY -1 HA1 GLY -1 -8.336 -18.463 -0.719 5 HA3 GLY -1 HA2 GLY -1 -10.046 -18.604 -1.103 6 H SER 0 HN SER 0 -7.920 -16.333 -0.650 7 HA SER 0 HA SER 0 -9.271 -14.820 1.379 8 HB2 SER 0 HB2 SER 0 -7.073 -13.996 -0.507 9 HB3 SER 0 HB1 SER 0 -7.683 -13.115 0.899 10 HG SER 0 HG SER 0 -6.986 -14.832 2.217 11 H MET 1 HN MET 1 -10.004 -12.588 0.899 12 HA MET 1 HA MET 1 -11.063 -12.285 -1.786 13 HB2 MET 1 HB2 MET 1 -12.367 -12.271 0.811 14 HB3 MET 1 HB1 MET 1 -13.053 -11.268 -0.481 15 HG2 MET 1 HG2 MET 1 -12.521 -14.221 -0.640 16 HG3 MET 1 HG1 MET 1 -14.071 -13.504 -0.214 17 HE1 MET 1 HE1 MET 1 -13.757 -15.597 -2.619 18 HE2 MET 1 HE2 MET 1 -14.721 -14.830 -3.881 19 HE3 MET 1 HE3 MET 1 -15.291 -14.831 -2.211 20 HA PRO 2 HA PRO 2 -9.460 -8.163 -0.441 21 HB2 PRO 2 HB2 PRO 2 -7.554 -7.826 -2.337 22 HB3 PRO 2 HB1 PRO 2 -7.254 -8.550 -0.745 23 HG2 PRO 2 HG2 PRO 2 -7.601 -9.899 -3.400 24 HG3 PRO 2 HG1 PRO 2 -6.491 -10.309 -2.080 25 HD2 PRO 2 HD2 PRO 2 -8.913 -11.629 -2.515 26 HD3 PRO 2 HD1 PRO 2 -8.081 -11.522 -0.970 27 H PHE 3 HN PHE 3 -11.391 -7.564 -1.154 28 HA PHE 3 HA PHE 3 -11.906 -7.443 -4.052 29 HB2 PHE 3 HB2 PHE 3 -13.642 -8.564 -2.659 30 HB3 PHE 3 HB1 PHE 3 -13.880 -7.050 -1.794 31 HD1 PHE 3 HD1 PHE 3 -14.364 -8.792 -4.991 32 HD2 PHE 3 HD2 PHE 3 -15.145 -5.248 -2.766 33 HE1 PHE 3 HE1 PHE 3 -16.032 -8.109 -6.668 34 HE2 PHE 3 HE2 PHE 3 -16.811 -4.559 -4.441 35 HZ PHE 3 HZ PHE 3 -17.256 -5.993 -6.393 36 H ALA 4 HN ALA 4 -12.588 -5.414 -1.232 37 HA ALA 4 HA ALA 4 -12.812 -3.077 -2.857 38 HB1 ALA 4 HB1 ALA 4 -12.559 -3.259 0.149 39 HB2 ALA 4 HB2 ALA 4 -14.056 -3.473 -0.754 40 HB3 ALA 4 HB3 ALA 4 -13.256 -1.924 -0.797 41 H GLU 5 HN GLU 5 -10.347 -4.647 -1.007 42 HA GLU 5 HA GLU 5 -8.461 -2.553 -1.002 43 HB2 GLU 5 HB2 GLU 5 -7.826 -5.503 -1.045 44 HB3 GLU 5 HB1 GLU 5 -6.834 -4.205 -0.404 45 HG2 GLU 5 HG2 GLU 5 -7.652 -4.994 1.544 46 HG3 GLU 5 HG1 GLU 5 -8.973 -3.894 1.152 47 H ASP 6 HN ASP 6 -9.345 -4.989 -3.333 48 HA ASP 6 HA ASP 6 -7.155 -4.730 -5.123 49 HB2 ASP 6 HB2 ASP 6 -8.679 -6.613 -5.336 50 HB3 ASP 6 HB1 ASP 6 -10.029 -5.530 -5.629 51 H LYS 7 HN LYS 7 -10.289 -3.251 -4.888 52 HA LYS 7 HA LYS 7 -10.148 -1.633 -7.202 53 HB2 LYS 7 HB2 LYS 7 -11.669 -0.927 -4.708 54 HB3 LYS 7 HB1 LYS 7 -12.063 -0.515 -6.366 55 HG2 LYS 7 HG2 LYS 7 -12.187 -3.260 -5.137 56 HG3 LYS 7 HG1 LYS 7 -13.553 -2.217 -5.512 57 HD2 LYS 7 HD2 LYS 7 -13.086 -2.397 -7.875 58 HD3 LYS 7 HD1 LYS 7 -11.617 -3.323 -7.538 59 HE2 LYS 7 HE2 LYS 7 -12.934 -5.081 -6.516 60 HE3 LYS 7 HE1 LYS 7 -14.401 -4.138 -6.782 61 HZ1 LYS 7 HZ1 LYS 7 -14.099 -4.375 -9.157 62 HZ2 LYS 7 HZ2 LYS 7 -14.043 -5.907 -8.456 63 HZ3 LYS 7 HZ3 LYS 7 -12.631 -5.178 -8.944 64 H THR 8 HN THR 8 -9.217 -1.196 -3.869 65 HA THR 8 HA THR 8 -8.543 1.495 -3.963 66 HB THR 8 HB THR 8 -7.271 -0.677 -2.260 67 HG1 THR 8 HG1 THR 8 -9.638 -0.466 -2.052 68 HG21 THR 8 HG21 THR 8 -7.468 2.318 -1.837 69 HG22 THR 8 HG22 THR 8 -5.999 1.432 -2.250 70 HG23 THR 8 HG23 THR 8 -6.785 1.162 -0.694 71 H TYR 9 HN TYR 9 -6.556 -1.419 -4.510 72 HA TYR 9 HA TYR 9 -4.135 -0.202 -5.148 73 HB2 TYR 9 HB2 TYR 9 -4.226 -2.604 -4.848 74 HB3 TYR 9 HB1 TYR 9 -5.356 -2.777 -6.184 75 HD1 TYR 9 HD1 TYR 9 -1.849 -2.075 -5.308 76 HD2 TYR 9 HD2 TYR 9 -4.579 -2.873 -8.461 77 HE1 TYR 9 HE1 TYR 9 0.042 -2.415 -6.875 78 HE2 TYR 9 HE2 TYR 9 -2.711 -3.215 -10.015 79 HH TYR 9 HH TYR 9 -0.327 -2.488 -10.193 80 H LYS 10 HN LYS 10 -6.899 -0.880 -7.188 81 HA LYS 10 HA LYS 10 -5.699 -0.169 -9.656 82 HB2 LYS 10 HB2 LYS 10 -8.637 -0.130 -8.957 83 HB3 LYS 10 HB1 LYS 10 -7.944 -0.190 -10.571 84 HG2 LYS 10 HG2 LYS 10 -7.635 -2.328 -8.476 85 HG3 LYS 10 HG1 LYS 10 -8.768 -2.378 -9.823 86 HD2 LYS 10 HD2 LYS 10 -6.987 -2.464 -11.411 87 HD3 LYS 10 HD1 LYS 10 -5.784 -2.114 -10.174 88 HE2 LYS 10 HE2 LYS 10 -5.835 -4.503 -10.809 89 HE3 LYS 10 HE1 LYS 10 -6.186 -4.226 -9.107 90 HZ1 LYS 10 HZ1 LYS 10 -8.282 -4.654 -11.166 91 HZ2 LYS 10 HZ2 LYS 10 -8.464 -4.670 -9.453 92 HZ3 LYS 10 HZ3 LYS 10 -7.617 -5.864 -10.203 93 H TYR 11 HN TYR 11 -7.152 1.705 -7.158 94 HA TYR 11 HA TYR 11 -7.420 4.091 -8.789 95 HB2 TYR 11 HB2 TYR 11 -8.740 3.341 -6.585 96 HB3 TYR 11 HB1 TYR 11 -7.370 4.070 -5.819 97 HD1 TYR 11 HD2 TYR 11 -6.915 6.483 -5.935 98 HD2 TYR 11 HD1 TYR 11 -10.378 4.798 -7.749 99 HE1 TYR 11 HE2 TYR 11 -7.926 8.723 -6.085 100 HE2 TYR 11 HE1 TYR 11 -11.389 7.031 -7.903 101 HH TYR 11 HH TYR 11 -11.212 9.179 -6.823 102 H ILE 12 HN ILE 12 -5.363 2.786 -6.255 103 HA ILE 12 HA ILE 12 -3.665 5.043 -5.961 104 HB ILE 12 HB ILE 12 -3.176 2.135 -5.217 105 HG12 ILE 12 HG12 ILE 12 -5.220 3.081 -4.224 106 HG13 ILE 12 HG11 ILE 12 -4.007 2.721 -2.989 107 HG21 ILE 12 HG21 ILE 12 -1.564 2.994 -3.578 108 HG22 ILE 12 HG22 ILE 12 -1.812 4.629 -4.191 109 HG23 ILE 12 HG23 ILE 12 -1.089 3.400 -5.229 110 HD11 ILE 12 HD11 ILE 12 -4.730 5.430 -4.114 111 HD12 ILE 12 HD12 ILE 12 -3.467 5.134 -2.921 112 HD13 ILE 12 HD13 ILE 12 -5.152 4.793 -2.526 113 H CYS 13 HN CYS 13 -3.709 2.458 -8.228 114 HA CYS 13 HA CYS 13 -1.092 2.583 -9.206 115 HB2 CYS 13 HB2 CYS 13 -2.836 0.896 -9.861 116 HB3 CYS 13 HB1 CYS 13 -3.626 2.138 -10.816 117 HG CYS 13 HG CYS 13 -1.784 2.299 -12.777 118 H ARG 14 HN ARG 14 -3.799 4.713 -9.591 119 HA ARG 14 HA ARG 14 -2.781 6.335 -11.703 120 HB2 ARG 14 HB2 ARG 14 -5.087 6.502 -11.466 121 HB3 ARG 14 HB1 ARG 14 -5.008 6.517 -9.717 122 HG2 ARG 14 HG2 ARG 14 -4.197 8.820 -9.770 123 HG3 ARG 14 HG1 ARG 14 -4.280 8.820 -11.528 124 HD2 ARG 14 HD2 ARG 14 -6.646 8.618 -11.502 125 HD3 ARG 14 HD1 ARG 14 -6.657 8.202 -9.791 126 HE ARG 14 HE ARG 14 -5.561 10.787 -10.348 127 HH11 ARG 14 HH11 ARG 14 -8.623 9.071 -9.927 128 HH12 ARG 14 HH12 ARG 14 -9.400 10.353 -9.128 129 HH21 ARG 14 HH21 ARG 14 -6.616 12.552 -9.240 130 HH22 ARG 14 HH22 ARG 14 -8.235 12.389 -8.728 131 H ASN 15 HN ASN 15 -2.790 6.603 -8.180 132 HA ASN 15 HA ASN 15 -1.253 9.080 -8.343 133 HB2 ASN 15 HB2 ASN 15 -1.723 9.228 -5.851 134 HB3 ASN 15 HB1 ASN 15 -3.122 9.291 -6.916 135 HD21 ASN 15 HD21 ASN 15 -4.566 7.701 -6.942 136 HD22 ASN 15 HD22 ASN 15 -4.598 6.447 -5.751 137 H PHE 16 HN PHE 16 -0.346 6.234 -8.625 138 HA PHE 16 HA PHE 16 1.523 5.452 -6.758 139 HB2 PHE 16 HB2 PHE 16 1.037 4.094 -8.719 140 HB3 PHE 16 HB1 PHE 16 1.739 5.304 -9.775 141 HD1 PHE 16 HD2 PHE 16 2.578 2.868 -7.088 142 HD2 PHE 16 HD1 PHE 16 4.019 5.215 -10.337 143 HE1 PHE 16 HE2 PHE 16 4.771 1.719 -6.959 144 HE2 PHE 16 HE1 PHE 16 6.185 4.058 -10.217 145 HZ PHE 16 HZ PHE 16 6.555 2.311 -8.527 146 H SER 17 HN SER 17 1.911 8.017 -9.176 147 HA SER 17 HA SER 17 4.659 8.433 -8.728 148 HB2 SER 17 HB2 SER 17 3.341 9.194 -10.763 149 HB3 SER 17 HB1 SER 17 2.680 10.489 -9.767 150 HG SER 17 HG SER 17 4.366 11.453 -10.581 151 H ASN 18 HN ASN 18 1.800 9.525 -7.026 152 HA ASN 18 HA ASN 18 3.039 11.673 -5.602 153 HB2 ASN 18 HB2 ASN 18 0.585 10.024 -4.891 154 HB3 ASN 18 HB1 ASN 18 1.130 11.415 -3.968 155 HD21 ASN 18 HD21 ASN 18 -0.771 12.540 -4.313 156 HD22 ASN 18 HD22 ASN 18 -1.207 13.185 -5.838 157 H PHE 19 HN PHE 19 2.664 8.260 -5.145 158 HA PHE 19 HA PHE 19 3.810 8.326 -2.529 159 HB2 PHE 19 HB2 PHE 19 2.855 6.086 -4.289 160 HB3 PHE 19 HB1 PHE 19 3.706 5.789 -2.775 161 HD1 PHE 19 HD1 PHE 19 0.664 7.209 -4.272 162 HD2 PHE 19 HD2 PHE 19 2.637 6.052 -0.701 163 HE1 PHE 19 HE1 PHE 19 -1.450 7.445 -3.033 164 HE2 PHE 19 HE2 PHE 19 0.529 6.289 0.548 165 HZ PHE 19 HZ PHE 19 -1.514 6.987 -0.623 166 H CYS 20 HN CYS 20 5.190 8.620 -5.528 167 HA CYS 20 HA CYS 20 7.481 7.011 -5.036 168 HB2 CYS 20 HB2 CYS 20 7.049 9.322 -6.938 169 HB3 CYS 20 HB1 CYS 20 8.455 8.261 -6.944 170 HG CYS 20 HG CYS 20 5.448 6.766 -7.209 171 H ASN 21 HN ASN 21 6.322 9.772 -3.694 172 HA ASN 21 HA ASN 21 8.938 10.900 -2.971 173 HB2 ASN 21 HB2 ASN 21 6.967 12.290 -3.911 174 HB3 ASN 21 HB1 ASN 21 6.161 12.000 -2.388 175 HD21 ASN 21 HD21 ASN 21 8.538 12.453 -0.711 176 HD22 ASN 21 HD22 ASN 21 8.891 14.131 -0.811 177 H VAL 22 HN VAL 22 7.127 8.423 -1.933 178 HA VAL 22 HA VAL 22 7.044 9.148 0.911 179 HB VAL 22 HB VAL 22 5.103 7.799 -0.413 180 HG11 VAL 22 HG11 VAL 22 6.414 6.081 -1.283 181 HG12 VAL 22 HG12 VAL 22 5.179 5.472 -0.172 182 HG13 VAL 22 HG13 VAL 22 6.871 5.565 0.349 183 HG21 VAL 22 HG21 VAL 22 4.943 8.357 1.925 184 HG22 VAL 22 HG22 VAL 22 6.021 7.024 2.336 185 HG23 VAL 22 HG23 VAL 22 4.432 6.696 1.645 186 H ASP 23 HN ASP 23 7.850 7.389 2.446 187 HA ASP 23 HA ASP 23 10.311 6.159 1.432 188 HB2 ASP 23 HB2 ASP 23 10.300 7.538 3.691 189 HB3 ASP 23 HB1 ASP 23 9.322 6.222 4.273 190 H VAL 24 HN VAL 24 10.426 3.867 1.484 191 HA VAL 24 HA VAL 24 7.783 2.665 1.792 192 HB VAL 24 HB VAL 24 10.225 1.375 0.550 193 HG11 VAL 24 HG11 VAL 24 8.494 -0.252 1.194 194 HG12 VAL 24 HG12 VAL 24 8.492 -0.064 -0.579 195 HG13 VAL 24 HG13 VAL 24 7.282 0.739 0.377 196 HG21 VAL 24 HG21 VAL 24 7.953 2.791 -0.816 197 HG22 VAL 24 HG22 VAL 24 9.280 1.961 -1.629 198 HG23 VAL 24 HG23 VAL 24 9.600 3.418 -0.677 199 H VAL 25 HN VAL 25 10.905 2.636 3.286 200 HA VAL 25 HA VAL 25 10.362 0.138 4.606 201 HB VAL 25 HB VAL 25 12.455 0.495 5.937 202 HG11 VAL 25 HG11 VAL 25 12.425 -0.910 3.985 203 HG12 VAL 25 HG12 VAL 25 13.963 -0.045 4.072 204 HG13 VAL 25 HG13 VAL 25 12.718 0.478 2.936 205 HG21 VAL 25 HG21 VAL 25 12.666 2.912 5.782 206 HG22 VAL 25 HG22 VAL 25 12.876 2.798 4.036 207 HG23 VAL 25 HG23 VAL 25 14.101 2.131 5.116 208 H GLU 26 HN GLU 26 10.141 3.519 5.423 209 HA GLU 26 HA GLU 26 9.667 3.126 8.140 210 HB2 GLU 26 HB2 GLU 26 9.088 5.324 6.199 211 HB3 GLU 26 HB1 GLU 26 8.634 5.492 7.850 212 HG2 GLU 26 HG2 GLU 26 11.029 4.998 8.474 213 HG3 GLU 26 HG1 GLU 26 11.402 5.089 6.761 214 H ILE 27 HN ILE 27 7.815 2.268 5.558 215 HA ILE 27 HA ILE 27 5.184 2.446 6.878 216 HB ILE 27 HB ILE 27 6.165 1.476 4.176 217 HG12 ILE 27 HG12 ILE 27 4.328 3.758 4.901 218 HG13 ILE 27 HG11 ILE 27 6.037 3.910 4.512 219 HG21 ILE 27 HG21 ILE 27 4.360 -0.001 4.780 220 HG22 ILE 27 HG22 ILE 27 3.858 1.088 3.487 221 HG23 ILE 27 HG23 ILE 27 3.317 1.374 5.140 222 HD11 ILE 27 HD11 ILE 27 3.893 2.913 2.642 223 HD12 ILE 27 HD12 ILE 27 5.609 3.101 2.264 224 HD13 ILE 27 HD13 ILE 27 4.626 4.520 2.623 225 H LEU 28 HN LEU 28 7.699 0.136 6.275 226 HA LEU 28 HA LEU 28 6.249 -2.232 6.517 227 HB2 LEU 28 HB2 LEU 28 9.125 -1.806 7.304 228 HB3 LEU 28 HB1 LEU 28 8.374 -3.344 6.926 229 HG LEU 28 HG LEU 28 8.823 -1.066 5.005 230 HD11 LEU 28 HD11 LEU 28 10.431 -2.564 3.952 231 HD12 LEU 28 HD12 LEU 28 10.159 -3.748 5.229 232 HD13 LEU 28 HD13 LEU 28 10.881 -2.187 5.615 233 HD21 LEU 28 HD21 LEU 28 7.712 -3.827 4.484 234 HD22 LEU 28 HD22 LEU 28 8.096 -2.623 3.265 235 HD23 LEU 28 HD23 LEU 28 6.804 -2.316 4.427 236 HA PRO 29 HA PRO 29 7.106 -2.337 11.328 237 HB2 PRO 29 HB2 PRO 29 7.460 0.069 12.559 238 HB3 PRO 29 HB1 PRO 29 8.807 -0.942 12.034 239 HG2 PRO 29 HG2 PRO 29 7.577 1.427 10.685 240 HG3 PRO 29 HG1 PRO 29 9.290 1.010 10.883 241 HD2 PRO 29 HD2 PRO 29 7.988 0.572 8.576 242 HD3 PRO 29 HD1 PRO 29 9.248 -0.529 9.168 243 H TYR 30 HN TYR 30 5.296 -0.135 9.520 244 HA TYR 30 HA TYR 30 3.347 0.323 11.609 245 HB2 TYR 30 HB2 TYR 30 3.979 1.535 8.995 246 HB3 TYR 30 HB1 TYR 30 2.343 1.759 9.524 247 HD1 TYR 30 HD1 TYR 30 5.813 2.661 9.953 248 HD2 TYR 30 HD2 TYR 30 1.956 3.023 11.679 249 HE1 TYR 30 HE1 TYR 30 6.633 4.497 11.378 250 HE2 TYR 30 HE2 TYR 30 2.751 4.859 13.103 251 HH TYR 30 HH TYR 30 5.737 6.423 12.624 252 H LEU 31 HN LEU 31 3.902 -1.777 8.986 253 HA LEU 31 HA LEU 31 1.121 -2.656 9.006 254 HB2 LEU 31 HB2 LEU 31 3.295 -2.912 6.946 255 HB3 LEU 31 HB1 LEU 31 1.912 -3.970 6.934 256 HG LEU 31 HG LEU 31 0.436 -2.027 6.531 257 HD11 LEU 31 HD11 LEU 31 1.334 0.109 5.982 258 HD12 LEU 31 HD12 LEU 31 2.935 -0.424 6.514 259 HD13 LEU 31 HD13 LEU 31 1.607 -0.322 7.670 260 HD21 LEU 31 HD21 LEU 31 1.192 -1.509 4.270 261 HD22 LEU 31 HD22 LEU 31 1.354 -3.231 4.627 262 HD23 LEU 31 HD23 LEU 31 2.774 -2.182 4.658 263 HA PRO 32 HA PRO 32 3.228 -6.181 11.069 264 HB2 PRO 32 HB2 PRO 32 0.879 -6.308 12.776 265 HB3 PRO 32 HB1 PRO 32 2.552 -5.974 13.235 266 HG2 PRO 32 HG2 PRO 32 0.616 -4.087 13.382 267 HG3 PRO 32 HG1 PRO 32 2.303 -3.699 12.997 268 HD2 PRO 32 HD2 PRO 32 -0.007 -4.100 11.130 269 HD3 PRO 32 HD1 PRO 32 1.177 -2.762 11.169 270 H CYS 33 HN CYS 33 0.803 -5.737 9.064 271 HA CYS 33 HA CYS 33 -0.732 -8.160 9.364 272 HB2 CYS 33 HB2 CYS 33 -1.772 -6.149 8.411 273 HB3 CYS 33 HB1 CYS 33 -0.623 -6.166 7.084 274 HG CYS 33 HG CYS 33 -3.486 -7.904 7.455 275 H LEU 34 HN LEU 34 2.081 -7.111 7.569 276 HA LEU 34 HA LEU 34 2.022 -9.536 5.974 277 HB2 LEU 34 HB2 LEU 34 3.754 -7.102 5.800 278 HB3 LEU 34 HB1 LEU 34 3.959 -8.534 4.812 279 HG LEU 34 HG LEU 34 1.438 -8.080 4.266 280 HD11 LEU 34 HD11 LEU 34 2.423 -5.322 4.901 281 HD12 LEU 34 HD12 LEU 34 1.124 -6.194 5.710 282 HD13 LEU 34 HD13 LEU 34 0.941 -5.708 4.022 283 HD21 LEU 34 HD21 LEU 34 2.159 -6.944 2.263 284 HD22 LEU 34 HD22 LEU 34 3.216 -8.286 2.732 285 HD23 LEU 34 HD23 LEU 34 3.734 -6.620 3.018 286 H THR 35 HN THR 35 3.869 -10.915 5.853 287 HA THR 35 HA THR 35 4.971 -11.450 8.364 288 HB THR 35 HB THR 35 6.162 -12.563 5.915 289 HG1 THR 35 HG1 THR 35 4.291 -12.759 5.020 290 HG21 THR 35 HG21 THR 35 6.554 -13.501 8.143 291 HG22 THR 35 HG22 THR 35 5.709 -14.667 7.107 292 HG23 THR 35 HG23 THR 35 4.815 -13.747 8.325 293 H ALA 36 HN ALA 36 7.260 -11.365 8.822 294 HA ALA 36 HA ALA 36 8.608 -9.046 8.011 295 HB1 ALA 36 HB1 ALA 36 10.577 -9.984 9.143 296 HB2 ALA 36 HB2 ALA 36 9.765 -11.550 9.240 297 HB3 ALA 36 HB3 ALA 36 9.119 -10.165 10.112 298 H ARG 37 HN ARG 37 8.681 -12.311 6.838 299 HA ARG 37 HA ARG 37 10.807 -12.326 5.062 300 HB2 ARG 37 HB2 ARG 37 9.390 -14.273 5.690 301 HB3 ARG 37 HB1 ARG 37 8.091 -13.614 4.711 302 HG2 ARG 37 HG2 ARG 37 9.152 -15.362 3.492 303 HG3 ARG 37 HG1 ARG 37 9.576 -13.827 2.732 304 HD2 ARG 37 HD2 ARG 37 11.525 -15.281 2.895 305 HD3 ARG 37 HD1 ARG 37 11.721 -13.839 3.891 306 HE ARG 37 HE ARG 37 10.613 -15.959 5.391 307 HH11 ARG 37 HH11 ARG 37 13.687 -14.933 4.009 308 HH12 ARG 37 HH12 ARG 37 14.664 -15.670 5.191 309 HH21 ARG 37 HH21 ARG 37 11.918 -16.999 7.034 310 HH22 ARG 37 HH22 ARG 37 13.610 -16.908 6.957 311 H ASP 38 HN ASP 38 7.445 -11.355 4.522 312 HA ASP 38 HA ASP 38 7.622 -10.690 1.781 313 HB2 ASP 38 HB2 ASP 38 5.750 -9.854 3.981 314 HB3 ASP 38 HB1 ASP 38 5.496 -9.319 2.335 315 H GLN 39 HN GLN 39 7.716 -8.737 4.688 316 HA GLN 39 HA GLN 39 8.121 -6.352 3.211 317 HB2 GLN 39 HB2 GLN 39 8.264 -6.933 6.145 318 HB3 GLN 39 HB1 GLN 39 8.424 -5.309 5.487 319 HG2 GLN 39 HG2 GLN 39 6.213 -5.637 4.363 320 HG3 GLN 39 HG1 GLN 39 6.065 -7.159 5.220 321 HE21 GLN 39 HE21 GLN 39 7.261 -6.059 7.681 322 HE22 GLN 39 HE22 GLN 39 6.003 -5.040 8.314 323 H ASP 40 HN ASP 40 10.178 -8.703 4.372 324 HA ASP 40 HA ASP 40 12.633 -7.319 4.575 325 HB2 ASP 40 HB2 ASP 40 12.357 -9.627 5.341 326 HB3 ASP 40 HB1 ASP 40 12.094 -10.154 3.690 327 H ARG 41 HN ARG 41 10.969 -8.842 1.944 328 HA ARG 41 HA ARG 41 12.925 -8.483 -0.075 329 HB2 ARG 41 HB2 ARG 41 9.918 -8.656 -0.349 330 HB3 ARG 41 HB1 ARG 41 11.065 -8.847 -1.676 331 HG2 ARG 41 HG2 ARG 41 10.749 -10.638 0.725 332 HG3 ARG 41 HG1 ARG 41 10.249 -10.995 -0.928 333 HD2 ARG 41 HD2 ARG 41 12.575 -10.907 -1.657 334 HD3 ARG 41 HD1 ARG 41 13.084 -10.510 -0.017 335 HE ARG 41 HE ARG 41 11.574 -12.931 -0.258 336 HH11 ARG 41 HH11 ARG 41 14.824 -11.527 -0.349 337 HH12 ARG 41 HH12 ARG 41 15.614 -12.960 0.116 338 HH21 ARG 41 HH21 ARG 41 12.666 -14.914 0.346 339 HH22 ARG 41 HH22 ARG 41 14.349 -14.955 0.484 340 H LEU 42 HN LEU 42 10.285 -6.533 1.026 341 HA LEU 42 HA LEU 42 10.537 -4.435 -0.869 342 HB2 LEU 42 HB2 LEU 42 9.424 -4.357 1.936 343 HB3 LEU 42 HB1 LEU 42 9.109 -3.186 0.669 344 HG LEU 42 HG LEU 42 8.267 -6.088 0.586 345 HD11 LEU 42 HD11 LEU 42 7.036 -4.855 2.283 346 HD12 LEU 42 HD12 LEU 42 6.005 -5.238 0.904 347 HD13 LEU 42 HD13 LEU 42 6.654 -3.609 1.099 348 HD21 LEU 42 HD21 LEU 42 8.666 -5.120 -1.629 349 HD22 LEU 42 HD22 LEU 42 7.571 -3.787 -1.240 350 HD23 LEU 42 HD23 LEU 42 6.957 -5.429 -1.346 351 H ARG 43 HN ARG 43 11.655 -4.860 2.449 352 HA ARG 43 HA ARG 43 13.019 -2.474 2.811 353 HB2 ARG 43 HB2 ARG 43 12.491 -4.035 4.615 354 HB3 ARG 43 HB1 ARG 43 13.612 -5.204 3.946 355 HG2 ARG 43 HG2 ARG 43 15.463 -3.769 4.413 356 HG3 ARG 43 HG1 ARG 43 14.385 -2.494 4.992 357 HD2 ARG 43 HD2 ARG 43 15.368 -3.706 6.847 358 HD3 ARG 43 HD1 ARG 43 13.629 -3.983 6.781 359 HE ARG 43 HE ARG 43 14.914 -6.010 5.367 360 HH11 ARG 43 HH11 ARG 43 14.685 -4.865 8.704 361 HH12 ARG 43 HH12 ARG 43 14.852 -6.415 9.400 362 HH21 ARG 43 HH21 ARG 43 15.062 -8.177 6.326 363 HH22 ARG 43 HH22 ARG 43 15.054 -8.317 8.027 364 H ALA 44 HN ALA 44 14.126 -5.492 1.397 365 HA ALA 44 HA ALA 44 16.838 -4.760 1.079 366 HB1 ALA 44 HB1 ALA 44 16.110 -7.091 1.010 367 HB2 ALA 44 HB2 ALA 44 16.939 -6.656 -0.488 368 HB3 ALA 44 HB3 ALA 44 15.184 -6.766 -0.454 369 H THR 45 HN THR 45 14.094 -4.734 -1.166 370 HA THR 45 HA THR 45 15.536 -3.758 -3.382 371 HB THR 45 HB THR 45 12.554 -3.482 -2.872 372 HG1 THR 45 HG1 THR 45 12.904 -5.623 -2.666 373 HG21 THR 45 HG21 THR 45 13.390 -2.258 -4.845 374 HG22 THR 45 HG22 THR 45 12.398 -3.636 -5.325 375 HG23 THR 45 HG23 THR 45 14.156 -3.733 -5.435 376 H CYS 46 HN CYS 46 14.073 -2.108 -0.679 377 HA CYS 46 HA CYS 46 13.688 0.463 -1.692 378 HB2 CYS 46 HB2 CYS 46 13.023 -0.489 0.561 379 HB3 CYS 46 HB1 CYS 46 14.660 -0.190 1.068 380 HG CYS 46 HG CYS 46 14.473 2.307 1.608 381 H THR 47 HN THR 47 16.534 -0.971 -0.249 382 HA THR 47 HA THR 47 18.037 1.474 -0.562 383 HB THR 47 HB THR 47 18.430 0.030 1.425 384 HG1 THR 47 HG1 THR 47 20.507 0.449 1.512 385 HG21 THR 47 HG21 THR 47 18.181 -2.176 0.385 386 HG22 THR 47 HG22 THR 47 19.732 -2.049 1.213 387 HG23 THR 47 HG23 THR 47 19.656 -1.914 -0.543 388 H LEU 48 HN LEU 48 17.201 -0.927 -2.642 389 HA LEU 48 HA LEU 48 19.709 -0.870 -4.166 390 HB2 LEU 48 HB2 LEU 48 17.310 -2.676 -4.372 391 HB3 LEU 48 HB1 LEU 48 18.729 -2.822 -5.374 392 HG LEU 48 HG LEU 48 18.617 -3.230 -2.381 393 HD11 LEU 48 HD11 LEU 48 18.933 -5.188 -4.634 394 HD12 LEU 48 HD12 LEU 48 17.527 -5.017 -3.582 395 HD13 LEU 48 HD13 LEU 48 19.066 -5.573 -2.919 396 HD21 LEU 48 HD21 LEU 48 20.912 -3.572 -4.308 397 HD22 LEU 48 HD22 LEU 48 20.916 -4.067 -2.617 398 HD23 LEU 48 HD23 LEU 48 20.790 -2.358 -3.031 399 H SER 49 HN SER 49 16.194 -0.711 -4.734 400 HA SER 49 HA SER 49 16.715 0.573 -7.305 401 HB2 SER 49 HB2 SER 49 14.251 -0.762 -6.223 402 HB3 SER 49 HB1 SER 49 14.444 -0.113 -7.853 403 HG SER 49 HG SER 49 15.484 -1.804 -8.396 404 H GLY 50 HN GLY 50 15.772 1.427 -4.156 405 HA2 GLY 50 HA2 GLY 50 15.419 3.602 -3.500 406 HA3 GLY 50 HA1 GLY 50 14.918 4.002 -5.140 407 H ASN 51 HN ASN 51 13.030 4.663 -4.994 408 HA ASN 51 HA ASN 51 11.047 3.466 -3.201 409 HB2 ASN 51 HB2 ASN 51 11.086 5.925 -3.296 410 HB3 ASN 51 HB1 ASN 51 10.813 5.889 -5.020 411 HD21 ASN 51 HD21 ASN 51 9.307 5.809 -1.953 412 HD22 ASN 51 HD22 ASN 51 7.727 5.685 -2.662 413 H ARG 52 HN ARG 52 11.206 4.426 -6.551 414 HA ARG 52 HA ARG 52 9.045 3.726 -7.827 415 HB2 ARG 52 HB2 ARG 52 10.984 4.551 -8.936 416 HB3 ARG 52 HB1 ARG 52 11.838 3.044 -8.685 417 HG2 ARG 52 HG2 ARG 52 10.168 1.949 -10.186 418 HG3 ARG 52 HG1 ARG 52 9.517 3.556 -10.535 419 HD2 ARG 52 HD2 ARG 52 11.150 2.885 -12.233 420 HD3 ARG 52 HD1 ARG 52 11.715 4.283 -11.315 421 HE ARG 52 HE ARG 52 12.604 1.600 -10.504 422 HH11 ARG 52 HH11 ARG 52 13.502 4.731 -11.935 423 HH12 ARG 52 HH12 ARG 52 15.168 4.451 -11.725 424 HH21 ARG 52 HH21 ARG 52 14.842 1.288 -10.256 425 HH22 ARG 52 HH22 ARG 52 15.944 2.491 -10.796 426 H ASP 53 HN ASP 53 11.529 1.092 -7.794 427 HA ASP 53 HA ASP 53 9.634 -0.815 -8.646 428 HB2 ASP 53 HB2 ASP 53 12.431 -1.103 -7.587 429 HB3 ASP 53 HB1 ASP 53 11.483 -2.373 -8.342 430 H THR 54 HN THR 54 11.043 0.084 -5.606 431 HA THR 54 HA THR 54 10.365 -2.161 -4.099 432 HB THR 54 HB THR 54 10.621 0.680 -3.164 433 HG1 THR 54 HG1 THR 54 12.707 0.535 -3.510 434 HG21 THR 54 HG21 THR 54 11.541 -0.367 -1.171 435 HG22 THR 54 HG22 THR 54 11.408 -1.954 -1.917 436 HG23 THR 54 HG23 THR 54 9.950 -1.055 -1.512 437 H LEU 55 HN LEU 55 8.727 0.989 -4.648 438 HA LEU 55 HA LEU 55 6.607 0.637 -2.913 439 HB2 LEU 55 HB2 LEU 55 7.653 2.705 -4.043 440 HB3 LEU 55 HB1 LEU 55 6.721 2.229 -5.436 441 HG LEU 55 HG LEU 55 4.817 2.158 -3.860 442 HD11 LEU 55 HD11 LEU 55 5.912 2.489 -1.753 443 HD12 LEU 55 HD12 LEU 55 4.911 3.922 -2.050 444 HD13 LEU 55 HD13 LEU 55 6.631 3.997 -2.319 445 HD21 LEU 55 HD21 LEU 55 4.316 4.561 -4.318 446 HD22 LEU 55 HD22 LEU 55 4.939 3.675 -5.715 447 HD23 LEU 55 HD23 LEU 55 5.997 4.752 -4.811 448 H TRP 56 HN TRP 56 7.218 0.019 -6.318 449 HA TRP 56 HA TRP 56 4.664 -0.781 -7.128 450 HB2 TRP 56 HB2 TRP 56 6.581 -0.266 -8.635 451 HB3 TRP 56 HB1 TRP 56 7.351 -1.761 -8.125 452 HD1 TRP 56 HD1 TRP 56 6.773 -3.873 -9.497 453 HE1 TRP 56 HE1 TRP 56 5.120 -4.406 -11.387 454 HE3 TRP 56 HE3 TRP 56 4.058 0.453 -9.423 455 HZ2 TRP 56 HZ2 TRP 56 2.928 -3.155 -12.672 456 HZ3 TRP 56 HZ3 TRP 56 2.203 0.707 -11.011 457 HH2 TRP 56 HH2 TRP 56 1.651 -1.055 -12.595 458 H HIS 57 HN HIS 57 7.442 -2.657 -5.945 459 HA HIS 57 HA HIS 57 6.161 -5.155 -5.851 460 HB2 HIS 57 HB2 HIS 57 8.494 -4.111 -4.240 461 HB3 HIS 57 HB1 HIS 57 7.928 -5.771 -4.163 462 HD1 HIS 57 HD1 HIS 57 10.827 -4.952 -5.129 463 HD2 HIS 57 HD2 HIS 57 7.592 -5.806 -7.595 464 HE1 HIS 57 HE1 HIS 57 11.799 -5.641 -7.337 465 H LEU 58 HN LEU 58 6.364 -2.548 -3.545 466 HA LEU 58 HA LEU 58 5.273 -3.677 -1.262 467 HB2 LEU 58 HB2 LEU 58 6.218 -1.434 -1.363 468 HB3 LEU 58 HB1 LEU 58 4.936 -0.914 -2.409 469 HG LEU 58 HG LEU 58 3.342 -1.350 -0.477 470 HD11 LEU 58 HD11 LEU 58 4.729 -2.780 0.864 471 HD12 LEU 58 HD12 LEU 58 4.287 -1.331 1.765 472 HD13 LEU 58 HD13 LEU 58 5.906 -1.484 1.080 473 HD21 LEU 58 HD21 LEU 58 5.449 0.800 -0.237 474 HD22 LEU 58 HD22 LEU 58 3.952 0.743 0.685 475 HD23 LEU 58 HD23 LEU 58 3.893 0.895 -1.070 476 H PHE 59 HN PHE 59 3.538 -1.818 -3.727 477 HA PHE 59 HA PHE 59 0.985 -2.518 -2.760 478 HB2 PHE 59 HB2 PHE 59 1.789 -1.522 -5.500 479 HB3 PHE 59 HB1 PHE 59 0.124 -1.702 -4.959 480 HD1 PHE 59 HD1 PHE 59 -0.282 -0.552 -2.551 481 HD2 PHE 59 HD2 PHE 59 2.639 0.616 -5.418 482 HE1 PHE 59 HE1 PHE 59 -0.239 1.711 -1.591 483 HE2 PHE 59 HE2 PHE 59 2.683 2.885 -4.442 484 HZ PHE 59 HZ PHE 59 1.248 3.421 -2.536 485 H ASN 60 HN ASN 60 3.057 -4.061 -5.080 486 HA ASN 60 HA ASN 60 1.275 -5.980 -6.124 487 HB2 ASN 60 HB2 ASN 60 3.418 -5.568 -7.179 488 HB3 ASN 60 HB1 ASN 60 4.267 -6.046 -5.719 489 HD21 ASN 60 HD21 ASN 60 2.555 -7.159 -8.507 490 HD22 ASN 60 HD22 ASN 60 3.020 -8.819 -8.364 491 H THR 61 HN THR 61 3.321 -6.001 -3.264 492 HA THR 61 HA THR 61 2.673 -8.705 -2.558 493 HB THR 61 HB THR 61 3.959 -6.555 -0.841 494 HG1 THR 61 HG1 THR 61 5.147 -6.864 -2.750 495 HG21 THR 61 HG21 THR 61 4.947 -8.466 0.347 496 HG22 THR 61 HG22 THR 61 4.079 -9.576 -0.712 497 HG23 THR 61 HG23 THR 61 3.185 -8.537 0.398 498 H LEU 62 HN LEU 62 1.755 -5.468 -1.429 499 HA LEU 62 HA LEU 62 0.130 -6.207 0.675 500 HB2 LEU 62 HB2 LEU 62 0.428 -3.778 -0.988 501 HB3 LEU 62 HB1 LEU 62 -1.016 -3.907 -0.010 502 HG LEU 62 HG LEU 62 0.304 -4.026 2.017 503 HD11 LEU 62 HD11 LEU 62 2.710 -3.782 2.053 504 HD12 LEU 62 HD12 LEU 62 2.745 -3.811 0.290 505 HD13 LEU 62 HD13 LEU 62 2.234 -5.242 1.180 506 HD21 LEU 62 HD21 LEU 62 1.200 -1.789 0.222 507 HD22 LEU 62 HD22 LEU 62 1.312 -1.797 1.980 508 HD23 LEU 62 HD23 LEU 62 -0.267 -1.827 1.194 509 H GLN 63 HN GLN 63 -0.714 -5.919 -2.757 510 HA GLN 63 HA GLN 63 -3.508 -6.107 -2.351 511 HB2 GLN 63 HB2 GLN 63 -3.713 -6.583 -4.699 512 HB3 GLN 63 HB1 GLN 63 -2.466 -5.362 -4.482 513 HG2 GLN 63 HG2 GLN 63 -0.740 -7.010 -4.788 514 HG3 GLN 63 HG1 GLN 63 -1.938 -8.295 -4.846 515 HE21 GLN 63 HE21 GLN 63 -2.346 -5.209 -6.403 516 HE22 GLN 63 HE22 GLN 63 -2.253 -5.821 -8.012 517 H ARG 64 HN ARG 64 -1.113 -8.448 -1.925 518 HA ARG 64 HA ARG 64 -2.908 -10.716 -2.397 519 HB2 ARG 64 HB2 ARG 64 -0.013 -10.730 -1.495 520 HB3 ARG 64 HB1 ARG 64 -0.946 -12.111 -2.042 521 HG2 ARG 64 HG2 ARG 64 -0.085 -9.767 -3.738 522 HG3 ARG 64 HG1 ARG 64 0.634 -11.375 -3.741 523 HD2 ARG 64 HD2 ARG 64 -1.510 -12.312 -4.518 524 HD3 ARG 64 HD1 ARG 64 -2.196 -10.687 -4.507 525 HE ARG 64 HE ARG 64 0.092 -10.635 -6.064 526 HH11 ARG 64 HH11 ARG 64 -3.159 -12.076 -6.211 527 HH12 ARG 64 HH12 ARG 64 -3.192 -12.121 -7.905 528 HH21 ARG 64 HH21 ARG 64 -0.027 -10.746 -8.467 529 HH22 ARG 64 HH22 ARG 64 -1.449 -11.398 -9.160 530 H ARG 65 HN ARG 65 -2.575 -8.512 -0.094 531 HA ARG 65 HA ARG 65 -2.904 -10.401 2.122 532 HB2 ARG 65 HB2 ARG 65 -1.749 -7.601 2.260 533 HB3 ARG 65 HB1 ARG 65 -1.869 -8.750 3.585 534 HG2 ARG 65 HG2 ARG 65 -0.161 -9.082 1.121 535 HG3 ARG 65 HG1 ARG 65 0.426 -8.587 2.704 536 HD2 ARG 65 HD2 ARG 65 -0.173 -10.727 3.638 537 HD3 ARG 65 HD1 ARG 65 -0.966 -11.207 2.136 538 HE ARG 65 HE ARG 65 1.925 -10.658 2.240 539 HH11 ARG 65 HH11 ARG 65 -0.770 -12.805 1.351 540 HH12 ARG 65 HH12 ARG 65 0.228 -14.031 0.747 541 HH21 ARG 65 HH21 ARG 65 3.311 -12.338 1.321 542 HH22 ARG 65 HH22 ARG 65 2.586 -13.741 0.700 543 HA PRO 66 HA PRO 66 -6.974 -8.460 1.785 544 HB2 PRO 66 HB2 PRO 66 -7.401 -10.072 4.240 545 HB3 PRO 66 HB1 PRO 66 -8.355 -10.019 2.751 546 HG2 PRO 66 HG2 PRO 66 -6.808 -12.109 3.250 547 HG3 PRO 66 HG1 PRO 66 -6.912 -11.421 1.615 548 HD2 PRO 66 HD2 PRO 66 -4.758 -11.080 3.668 549 HD3 PRO 66 HD1 PRO 66 -4.629 -11.383 1.920 550 H GLY 67 HN GLY 67 -7.692 -6.674 2.637 551 HA2 GLY 67 HA2 GLY 67 -8.049 -4.929 4.074 552 HA3 GLY 67 HA1 GLY 67 -7.528 -5.975 5.386 553 H TRP 68 HN TRP 68 -5.319 -5.474 2.742 554 HA TRP 68 HA TRP 68 -3.283 -4.505 4.351 555 HB2 TRP 68 HB2 TRP 68 -2.069 -3.868 2.324 556 HB3 TRP 68 HB1 TRP 68 -2.786 -5.450 2.136 557 HD1 TRP 68 HD1 TRP 68 -4.741 -5.667 0.261 558 HE1 TRP 68 HE1 TRP 68 -5.297 -4.205 -1.797 559 HE3 TRP 68 HE3 TRP 68 -2.190 -1.416 1.510 560 HZ2 TRP 68 HZ2 TRP 68 -4.752 -1.636 -2.751 561 HZ3 TRP 68 HZ3 TRP 68 -2.256 0.495 -0.036 562 HH2 TRP 68 HH2 TRP 68 -3.515 0.387 -2.123 563 H VAL 69 HN VAL 69 -5.753 -2.801 2.736 564 HA VAL 69 HA VAL 69 -4.736 -0.206 2.659 565 HB VAL 69 HB VAL 69 -7.633 -0.965 3.065 566 HG11 VAL 69 HG11 VAL 69 -6.373 1.461 1.820 567 HG12 VAL 69 HG12 VAL 69 -7.202 1.393 3.377 568 HG13 VAL 69 HG13 VAL 69 -8.100 1.109 1.883 569 HG21 VAL 69 HG21 VAL 69 -6.058 -0.723 0.505 570 HG22 VAL 69 HG22 VAL 69 -7.805 -0.934 0.613 571 HG23 VAL 69 HG23 VAL 69 -6.724 -2.206 1.187 572 H GLU 70 HN GLU 70 -6.441 -1.924 5.249 573 HA GLU 70 HA GLU 70 -6.952 0.254 6.903 574 HB2 GLU 70 HB2 GLU 70 -6.776 -2.701 7.292 575 HB3 GLU 70 HB1 GLU 70 -7.120 -1.610 8.623 576 HG2 GLU 70 HG2 GLU 70 -8.715 -1.673 6.082 577 HG3 GLU 70 HG1 GLU 70 -9.131 -2.607 7.522 578 H TYR 71 HN TYR 71 -4.119 -1.693 6.441 579 HA TYR 71 HA TYR 71 -2.867 -0.637 8.813 580 HB2 TYR 71 HB2 TYR 71 -1.989 -2.591 6.694 581 HB3 TYR 71 HB1 TYR 71 -1.022 -2.109 8.081 582 HD1 TYR 71 HD2 TYR 71 -4.129 -3.855 7.067 583 HD2 TYR 71 HD1 TYR 71 -1.382 -3.074 10.196 584 HE1 TYR 71 HE2 TYR 71 -5.181 -5.614 8.403 585 HE2 TYR 71 HE1 TYR 71 -2.419 -4.844 11.563 586 HH TYR 71 HH TYR 71 -4.794 -6.992 10.209 587 H PHE 72 HN PHE 72 -2.826 -0.419 5.330 588 HA PHE 72 HA PHE 72 -0.434 1.022 5.100 589 HB2 PHE 72 HB2 PHE 72 -1.518 -0.281 3.275 590 HB3 PHE 72 HB1 PHE 72 -2.746 0.971 3.159 591 HD1 PHE 72 HD1 PHE 72 0.959 0.612 3.139 592 HD2 PHE 72 HD2 PHE 72 -2.446 2.591 1.549 593 HE1 PHE 72 HE1 PHE 72 2.404 1.807 1.559 594 HE2 PHE 72 HE2 PHE 72 -1.004 3.799 -0.037 595 HZ PHE 72 HZ PHE 72 1.426 3.407 -0.031 596 H ILE 73 HN ILE 73 -3.827 2.107 5.345 597 HA ILE 73 HA ILE 73 -3.344 4.854 4.968 598 HB ILE 73 HB ILE 73 -5.426 3.596 6.803 599 HG12 ILE 73 HG12 ILE 73 -5.704 4.560 3.945 600 HG13 ILE 73 HG11 ILE 73 -5.590 2.872 4.434 601 HG21 ILE 73 HG21 ILE 73 -6.661 5.721 6.560 602 HG22 ILE 73 HG22 ILE 73 -5.312 6.382 5.636 603 HG23 ILE 73 HG23 ILE 73 -5.089 5.959 7.333 604 HD11 ILE 73 HD11 ILE 73 -7.693 3.085 5.656 605 HD12 ILE 73 HD12 ILE 73 -7.893 3.524 3.957 606 HD13 ILE 73 HD13 ILE 73 -7.794 4.782 5.187 607 H ALA 74 HN ALA 74 -3.079 2.835 7.808 608 HA ALA 74 HA ALA 74 -2.598 4.905 9.678 609 HB1 ALA 74 HB1 ALA 74 -1.836 1.988 9.834 610 HB2 ALA 74 HB2 ALA 74 -3.382 2.672 10.337 611 HB3 ALA 74 HB3 ALA 74 -1.905 3.117 11.188 612 H ALA 75 HN ALA 75 -0.572 3.030 7.554 613 HA ALA 75 HA ALA 75 1.940 3.581 8.676 614 HB1 ALA 75 HB1 ALA 75 1.530 1.833 7.015 615 HB2 ALA 75 HB2 ALA 75 2.861 2.901 6.568 616 HB3 ALA 75 HB3 ALA 75 1.288 3.076 5.787 617 H LEU 76 HN LEU 76 0.384 5.204 5.840 618 HA LEU 76 HA LEU 76 2.314 7.164 5.560 619 HB2 LEU 76 HB2 LEU 76 -0.612 7.112 4.914 620 HB3 LEU 76 HB1 LEU 76 0.425 8.450 4.486 621 HG LEU 76 HG LEU 76 0.027 7.116 2.625 622 HD11 LEU 76 HD11 LEU 76 2.245 8.062 2.771 623 HD12 LEU 76 HD12 LEU 76 2.292 6.520 1.922 624 HD13 LEU 76 HD13 LEU 76 2.831 6.615 3.597 625 HD21 LEU 76 HD21 LEU 76 -0.546 5.018 3.604 626 HD22 LEU 76 HD22 LEU 76 1.122 4.762 4.117 627 HD23 LEU 76 HD23 LEU 76 0.718 4.781 2.401 628 H ARG 77 HN ARG 77 -0.599 7.054 7.461 629 HA ARG 77 HA ARG 77 -0.541 9.749 8.259 630 HB2 ARG 77 HB2 ARG 77 -2.534 8.283 8.239 631 HB3 ARG 77 HB1 ARG 77 -1.858 7.374 9.573 632 HG2 ARG 77 HG2 ARG 77 -2.110 9.216 11.049 633 HG3 ARG 77 HG1 ARG 77 -2.548 10.297 9.719 634 HD2 ARG 77 HD2 ARG 77 -4.532 9.554 10.961 635 HD3 ARG 77 HD1 ARG 77 -4.559 8.989 9.291 636 HE ARG 77 HE ARG 77 -3.422 7.160 11.173 637 HH11 ARG 77 HH11 ARG 77 -6.394 8.092 9.456 638 HH12 ARG 77 HH12 ARG 77 -7.235 6.681 9.860 639 HH21 ARG 77 HH21 ARG 77 -4.660 5.231 11.799 640 HH22 ARG 77 HH22 ARG 77 -6.243 5.023 11.233 641 H GLY 78 HN GLY 78 0.817 6.800 9.633 642 HA2 GLY 78 HA2 GLY 78 1.669 7.972 12.073 643 HA3 GLY 78 HA1 GLY 78 2.165 6.421 11.418 644 H CYS 79 HN CYS 79 3.182 7.659 8.907 645 HA CYS 79 HA CYS 79 5.712 8.533 10.046 646 HB2 CYS 79 HB2 CYS 79 6.574 8.297 7.675 647 HB3 CYS 79 HB1 CYS 79 6.030 6.796 8.395 648 HG CYS 79 HG CYS 79 3.780 6.565 6.995 649 H GLU 80 HN GLU 80 3.272 10.238 9.853 650 HA GLU 80 HA GLU 80 2.827 12.454 9.749 651 HB2 GLU 80 HB2 GLU 80 5.753 12.708 9.060 652 HB3 GLU 80 HB1 GLU 80 4.699 14.067 9.418 653 HG2 GLU 80 HG2 GLU 80 5.305 11.810 11.312 654 HG3 GLU 80 HG1 GLU 80 6.104 13.379 11.310 655 H LEU 81 HN LEU 81 2.884 10.677 7.292 656 HA LEU 81 HA LEU 81 2.794 12.789 5.258 657 HB2 LEU 81 HB2 LEU 81 3.092 9.788 4.931 658 HB3 LEU 81 HB1 LEU 81 3.102 10.969 3.637 659 HG LEU 81 HG LEU 81 5.205 10.716 5.800 660 HD11 LEU 81 HD11 LEU 81 5.359 10.093 2.868 661 HD12 LEU 81 HD12 LEU 81 5.296 8.906 4.165 662 HD13 LEU 81 HD13 LEU 81 6.682 9.987 4.024 663 HD21 LEU 81 HD21 LEU 81 4.964 13.018 5.125 664 HD22 LEU 81 HD22 LEU 81 5.043 12.558 3.426 665 HD23 LEU 81 HD23 LEU 81 6.457 12.355 4.460 666 H VAL 82 HN VAL 82 0.825 12.795 6.916 667 HA VAL 82 HA VAL 82 -1.314 10.993 6.705 668 HB VAL 82 HB VAL 82 -1.489 13.930 7.422 669 HG11 VAL 82 HG11 VAL 82 -3.673 12.952 7.060 670 HG12 VAL 82 HG12 VAL 82 -3.434 13.260 8.780 671 HG13 VAL 82 HG13 VAL 82 -3.286 11.620 8.145 672 HG21 VAL 82 HG21 VAL 82 -1.198 13.212 9.755 673 HG22 VAL 82 HG22 VAL 82 0.221 12.847 8.774 674 HG23 VAL 82 HG23 VAL 82 -0.905 11.566 9.207 675 H ASP 83 HN ASP 83 -0.450 13.725 4.729 676 HA ASP 83 HA ASP 83 -2.881 14.083 3.365 677 HB2 ASP 83 HB2 ASP 83 -1.006 15.678 3.190 678 HB3 ASP 83 HB1 ASP 83 -0.076 14.478 2.301 679 H LEU 84 HN LEU 84 -0.220 11.862 2.812 680 HA LEU 84 HA LEU 84 -1.288 10.738 0.412 681 HB2 LEU 84 HB2 LEU 84 0.848 9.808 2.322 682 HB3 LEU 84 HB1 LEU 84 0.396 8.900 0.897 683 HG LEU 84 HG LEU 84 1.485 11.724 0.799 684 HD11 LEU 84 HD11 LEU 84 3.151 10.168 1.726 685 HD12 LEU 84 HD12 LEU 84 3.588 10.685 0.103 686 HD13 LEU 84 HD13 LEU 84 2.893 9.086 0.361 687 HD21 LEU 84 HD21 LEU 84 0.145 11.049 -1.156 688 HD22 LEU 84 HD22 LEU 84 1.151 9.598 -1.308 689 HD23 LEU 84 HD23 LEU 84 1.863 11.182 -1.553 690 H ALA 85 HN ALA 85 -1.650 10.144 3.804 691 HA ALA 85 HA ALA 85 -2.801 7.553 3.660 692 HB1 ALA 85 HB1 ALA 85 -3.635 7.976 5.953 693 HB2 ALA 85 HB2 ALA 85 -3.289 9.684 5.768 694 HB3 ALA 85 HB3 ALA 85 -1.971 8.525 5.803 695 H ASP 86 HN ASP 86 -4.131 10.796 3.520 696 HA ASP 86 HA ASP 86 -6.872 10.075 3.484 697 HB2 ASP 86 HB2 ASP 86 -5.956 12.388 3.920 698 HB3 ASP 86 HB1 ASP 86 -5.667 12.520 2.200 699 H GLU 87 HN GLU 87 -4.430 10.321 0.945 700 HA GLU 87 HA GLU 87 -6.085 10.225 -1.263 701 HB2 GLU 87 HB2 GLU 87 -3.251 9.383 -0.755 702 HB3 GLU 87 HB1 GLU 87 -4.005 9.244 -2.328 703 HG2 GLU 87 HG2 GLU 87 -3.599 11.779 -0.756 704 HG3 GLU 87 HG1 GLU 87 -2.671 11.271 -2.166 705 H VAL 88 HN VAL 88 -4.920 7.770 0.898 706 HA VAL 88 HA VAL 88 -5.885 5.609 -0.774 707 HB VAL 88 HB VAL 88 -4.920 5.483 2.094 708 HG11 VAL 88 HG11 VAL 88 -5.083 3.335 -0.016 709 HG12 VAL 88 HG12 VAL 88 -6.175 3.536 1.351 710 HG13 VAL 88 HG13 VAL 88 -4.483 3.133 1.633 711 HG21 VAL 88 HG21 VAL 88 -3.320 5.138 -0.436 712 HG22 VAL 88 HG22 VAL 88 -2.730 4.837 1.202 713 HG23 VAL 88 HG23 VAL 88 -3.188 6.470 0.711 714 H ALA 89 HN ALA 89 -6.683 7.221 2.239 715 HA ALA 89 HA ALA 89 -8.814 5.662 3.092 716 HB1 ALA 89 HB1 ALA 89 -8.469 8.621 3.524 717 HB2 ALA 89 HB2 ALA 89 -7.687 7.357 4.477 718 HB3 ALA 89 HB3 ALA 89 -9.443 7.521 4.501 719 H SER 90 HN SER 90 -8.828 8.423 0.874 720 HA SER 90 HA SER 90 -11.604 8.727 0.708 721 HB2 SER 90 HB2 SER 90 -9.966 10.402 -0.099 722 HB3 SER 90 HB1 SER 90 -9.545 9.323 -1.425 723 HG SER 90 HG SER 90 -11.429 11.104 -1.385 724 H VAL 91 HN VAL 91 -9.529 6.357 -0.735 725 HA VAL 91 HA VAL 91 -11.407 5.654 -2.810 726 HB VAL 91 HB VAL 91 -9.039 4.048 -1.864 727 HG11 VAL 91 HG11 VAL 91 -10.442 2.780 -3.299 728 HG12 VAL 91 HG12 VAL 91 -9.045 3.312 -4.264 729 HG13 VAL 91 HG13 VAL 91 -10.590 4.122 -4.429 730 HG21 VAL 91 HG21 VAL 91 -7.711 5.163 -3.596 731 HG22 VAL 91 HG22 VAL 91 -8.268 6.299 -2.364 732 HG23 VAL 91 HG23 VAL 91 -9.067 6.237 -3.936 733 H TYR 92 HN TYR 92 -10.162 4.243 0.167 734 HA TYR 92 HA TYR 92 -11.863 1.954 0.060 735 HB2 TYR 92 HB2 TYR 92 -9.561 2.239 1.154 736 HB3 TYR 92 HB1 TYR 92 -10.429 2.963 2.500 737 HD1 TYR 92 HD1 TYR 92 -10.202 -0.099 0.450 738 HD2 TYR 92 HD2 TYR 92 -11.408 1.601 4.135 739 HE1 TYR 92 HE1 TYR 92 -10.613 -2.354 1.330 740 HE2 TYR 92 HE2 TYR 92 -11.827 -0.658 5.043 741 HH TYR 92 HH TYR 92 -12.405 -2.877 4.027 742 H GLN 93 HN GLN 93 -12.248 5.121 1.038 743 HA GLN 93 HA GLN 93 -14.309 5.028 2.940 744 HB2 GLN 93 HB2 GLN 93 -13.157 7.102 2.247 745 HB3 GLN 93 HB1 GLN 93 -13.882 6.973 0.655 746 HG2 GLN 93 HG2 GLN 93 -15.064 8.618 1.920 747 HG3 GLN 93 HG1 GLN 93 -16.111 7.214 1.706 748 HE21 GLN 93 HE21 GLN 93 -17.356 7.600 3.461 749 HE22 GLN 93 HE22 GLN 93 -16.768 7.485 5.083 750 H SER 94 HN SER 94 -14.236 4.594 -0.514 751 HA SER 94 HA SER 94 -17.136 4.449 -0.666 752 HB2 SER 94 HB2 SER 94 -15.847 5.835 -2.305 753 HB3 SER 94 HB1 SER 94 -15.078 4.363 -2.885 754 HG SER 94 HG SER 94 -17.298 5.415 -3.681 755 H TYR 95 HN TYR 95 -14.210 2.546 -1.337 756 HA TYR 95 HA TYR 95 -15.840 0.191 -1.879 757 HB2 TYR 95 HB2 TYR 95 -12.832 0.540 -2.003 758 HB3 TYR 95 HB1 TYR 95 -13.736 -0.897 -2.448 759 HD1 TYR 95 HD2 TYR 95 -15.177 -0.946 -4.452 760 HD2 TYR 95 HD1 TYR 95 -12.783 2.455 -3.494 761 HE1 TYR 95 HE2 TYR 95 -15.494 -0.089 -6.713 762 HE2 TYR 95 HE1 TYR 95 -13.101 3.313 -5.775 763 HH TYR 95 HH TYR 95 -15.438 2.028 -7.864 764 H GLN 96 HN GLN 96 -16.832 -0.133 -0.133 765 HA GLN 96 HA GLN 96 -17.320 -0.941 1.871 766 HB2 GLN 96 HB2 GLN 96 -15.120 -2.865 1.131 767 HB3 GLN 96 HB1 GLN 96 -16.298 -3.130 2.409 768 HG2 GLN 96 HG2 GLN 96 -18.110 -3.076 0.805 769 HG3 GLN 96 HG1 GLN 96 -16.978 -2.720 -0.495 770 HE21 GLN 96 HE21 GLN 96 -18.833 -4.912 -0.156 771 HE22 GLN 96 HE22 GLN 96 -17.905 -6.357 -0.278 772 HA PRO 97 HA PRO 97 -14.173 1.261 4.375 773 HB2 PRO 97 HB2 PRO 97 -15.805 2.982 5.517 774 HB3 PRO 97 HB1 PRO 97 -15.440 3.156 3.793 775 HG2 PRO 97 HG2 PRO 97 -17.795 1.810 5.072 776 HG3 PRO 97 HG1 PRO 97 -17.859 3.079 3.859 777 HD2 PRO 97 HD2 PRO 97 -18.060 0.502 3.187 778 HD3 PRO 97 HD1 PRO 97 -17.175 1.640 2.144 779 H ARG 98 HN ARG 98 -16.318 -1.012 4.903 780 HA ARG 98 HA ARG 98 -15.854 -1.430 7.681 781 HB2 ARG 98 HB2 ARG 98 -18.269 -1.320 8.308 782 HB3 ARG 98 HB1 ARG 98 -17.605 0.250 7.872 783 HG2 ARG 98 HG2 ARG 98 -18.623 0.092 5.661 784 HG3 ARG 98 HG1 ARG 98 -19.290 -1.492 6.066 785 HD2 ARG 98 HD2 ARG 98 -21.006 0.167 6.314 786 HD3 ARG 98 HD1 ARG 98 -20.541 -0.399 7.915 787 HE ARG 98 HE ARG 98 -19.004 1.736 7.716 788 HH11 ARG 98 HH11 ARG 98 -22.407 1.378 6.848 789 HH12 ARG 98 HH12 ARG 98 -22.819 3.000 7.199 790 HH21 ARG 98 HH21 ARG 98 -19.570 3.967 8.229 791 HH22 ARG 98 HH22 ARG 98 -21.172 4.497 8.001 792 H THR 99 HN THR 99 -17.476 -3.428 8.272 793 HA THR 99 HA THR 99 -17.154 -5.355 6.208 794 HB THR 99 HB THR 99 -18.493 -6.758 7.937 795 HG1 THR 99 HG1 THR 99 -18.016 -5.622 10.093 796 HG21 THR 99 HG21 THR 99 -16.057 -6.956 7.630 797 HG22 THR 99 HG22 THR 99 -16.497 -7.093 9.330 798 HG23 THR 99 HG23 THR 99 -15.810 -5.593 8.722 799 H SER 100 HN SER 100 -19.272 -6.841 5.927 800 HA SER 100 HA SER 100 -21.372 -4.993 5.111 801 HB2 SER 100 HB2 SER 100 -20.873 -7.855 4.246 802 HB3 SER 100 HB1 SER 100 -22.000 -6.709 3.513 803 HG SER 100 HG SER 100 -20.097 -5.371 3.118 Start of MODEL 10 1 H1 GLY -1 HT1 GLY -1 -11.110 -6.643 4.086 2 H2 GLY -1 HT2 GLY -1 -10.855 -6.991 2.471 3 H3 GLY -1 HT3 GLY -1 -9.761 -7.544 3.622 4 HA2 GLY -1 HA1 GLY -1 -11.543 -8.890 4.624 5 HA3 GLY -1 HA2 GLY -1 -12.546 -8.432 3.254 6 H SER 0 HN SER 0 -11.671 -11.084 4.050 7 HA SER 0 HA SER 0 -9.593 -12.118 2.547 8 HB2 SER 0 HB2 SER 0 -12.232 -13.408 3.258 9 HB3 SER 0 HB1 SER 0 -10.711 -14.239 2.906 10 HG SER 0 HG SER 0 -9.851 -12.948 4.694 11 H MET 1 HN MET 1 -9.406 -12.764 0.437 12 HA MET 1 HA MET 1 -9.667 -12.698 -1.748 13 HB2 MET 1 HB2 MET 1 -12.653 -12.736 -1.178 14 HB3 MET 1 HB1 MET 1 -11.959 -12.772 -2.792 15 HG2 MET 1 HG2 MET 1 -10.933 -14.908 -2.331 16 HG3 MET 1 HG1 MET 1 -11.532 -14.864 -0.673 17 HE1 MET 1 HE1 MET 1 -13.538 -13.682 -3.893 18 HE2 MET 1 HE2 MET 1 -14.323 -15.186 -4.372 19 HE3 MET 1 HE3 MET 1 -12.574 -15.033 -4.486 20 HA PRO 2 HA PRO 2 -9.778 -8.328 -1.011 21 HB2 PRO 2 HB2 PRO 2 -7.804 -7.699 -2.847 22 HB3 PRO 2 HB1 PRO 2 -7.553 -8.176 -1.158 23 HG2 PRO 2 HG2 PRO 2 -7.239 -9.796 -3.618 24 HG3 PRO 2 HG1 PRO 2 -6.335 -9.848 -2.101 25 HD2 PRO 2 HD2 PRO 2 -8.302 -11.626 -2.814 26 HD3 PRO 2 HD1 PRO 2 -7.822 -11.318 -1.140 27 H PHE 3 HN PHE 3 -11.266 -7.227 -1.719 28 HA PHE 3 HA PHE 3 -11.988 -7.262 -4.576 29 HB2 PHE 3 HB2 PHE 3 -13.745 -8.351 -3.281 30 HB3 PHE 3 HB1 PHE 3 -13.768 -7.002 -2.149 31 HD1 PHE 3 HD2 PHE 3 -14.579 -7.983 -5.622 32 HD2 PHE 3 HD1 PHE 3 -15.072 -5.093 -2.548 33 HE1 PHE 3 HE2 PHE 3 -16.343 -6.869 -6.931 34 HE2 PHE 3 HE1 PHE 3 -16.824 -3.986 -3.851 35 HZ PHE 3 HZ PHE 3 -17.459 -4.872 -6.042 36 H ALA 4 HN ALA 4 -12.637 -5.355 -1.659 37 HA ALA 4 HA ALA 4 -12.715 -2.962 -3.172 38 HB1 ALA 4 HB1 ALA 4 -12.611 -3.264 -0.175 39 HB2 ALA 4 HB2 ALA 4 -14.061 -3.438 -1.149 40 HB3 ALA 4 HB3 ALA 4 -13.243 -1.890 -1.105 41 H GLU 5 HN GLU 5 -10.399 -4.699 -1.307 42 HA GLU 5 HA GLU 5 -8.455 -2.658 -1.006 43 HB2 GLU 5 HB2 GLU 5 -8.022 -5.658 -1.151 44 HB3 GLU 5 HB1 GLU 5 -6.929 -4.481 -0.457 45 HG2 GLU 5 HG2 GLU 5 -7.975 -5.609 1.358 46 HG3 GLU 5 HG1 GLU 5 -8.689 -4.011 1.272 47 H ASP 6 HN ASP 6 -9.087 -5.216 -3.267 48 HA ASP 6 HA ASP 6 -6.907 -4.907 -5.022 49 HB2 ASP 6 HB2 ASP 6 -8.115 -6.917 -5.152 50 HB3 ASP 6 HB1 ASP 6 -9.654 -6.082 -5.272 51 H LYS 7 HN LYS 7 -10.207 -3.674 -5.160 52 HA LYS 7 HA LYS 7 -9.773 -2.195 -7.472 53 HB2 LYS 7 HB2 LYS 7 -11.915 -2.060 -5.408 54 HB3 LYS 7 HB1 LYS 7 -11.905 -1.024 -6.838 55 HG2 LYS 7 HG2 LYS 7 -11.838 -2.966 -8.284 56 HG3 LYS 7 HG1 LYS 7 -11.787 -4.027 -6.879 57 HD2 LYS 7 HD2 LYS 7 -13.978 -3.972 -7.796 58 HD3 LYS 7 HD1 LYS 7 -13.939 -3.196 -6.197 59 HE2 LYS 7 HE2 LYS 7 -14.007 -1.020 -7.182 60 HE3 LYS 7 HE1 LYS 7 -13.854 -1.666 -8.813 61 HZ1 LYS 7 HZ1 LYS 7 -16.050 -2.663 -8.557 62 HZ2 LYS 7 HZ2 LYS 7 -16.117 -1.009 -8.257 63 HZ3 LYS 7 HZ3 LYS 7 -16.154 -2.080 -6.976 64 H THR 8 HN THR 8 -9.216 -1.435 -4.115 65 HA THR 8 HA THR 8 -8.740 1.330 -4.481 66 HB THR 8 HB THR 8 -7.733 -0.600 -2.356 67 HG1 THR 8 HG1 THR 8 -9.926 -0.338 -2.217 68 HG21 THR 8 HG21 THR 8 -7.207 1.396 -0.994 69 HG22 THR 8 HG22 THR 8 -7.636 2.433 -2.352 70 HG23 THR 8 HG23 THR 8 -6.241 1.362 -2.469 71 H TYR 9 HN TYR 9 -6.642 -1.537 -4.518 72 HA TYR 9 HA TYR 9 -4.192 -0.358 -5.086 73 HB2 TYR 9 HB2 TYR 9 -4.208 -2.699 -4.606 74 HB3 TYR 9 HB1 TYR 9 -5.395 -3.025 -5.861 75 HD1 TYR 9 HD2 TYR 9 -1.863 -1.903 -5.383 76 HD2 TYR 9 HD1 TYR 9 -4.699 -3.759 -7.964 77 HE1 TYR 9 HE2 TYR 9 -0.070 -2.458 -6.968 78 HE2 TYR 9 HE1 TYR 9 -2.910 -4.306 -9.551 79 HH TYR 9 HH TYR 9 -0.718 -3.553 -10.140 80 H LYS 10 HN LYS 10 -6.647 -1.536 -7.307 81 HA LYS 10 HA LYS 10 -5.487 -0.794 -9.724 82 HB2 LYS 10 HB2 LYS 10 -8.362 -1.133 -8.938 83 HB3 LYS 10 HB1 LYS 10 -7.849 -0.844 -10.596 84 HG2 LYS 10 HG2 LYS 10 -6.624 -2.879 -10.655 85 HG3 LYS 10 HG1 LYS 10 -6.833 -3.116 -8.919 86 HD2 LYS 10 HD2 LYS 10 -9.204 -3.436 -9.220 87 HD3 LYS 10 HD1 LYS 10 -9.044 -3.051 -10.941 88 HE2 LYS 10 HE2 LYS 10 -7.823 -5.026 -11.366 89 HE3 LYS 10 HE1 LYS 10 -7.543 -5.301 -9.650 90 HZ1 LYS 10 HZ1 LYS 10 -10.239 -5.415 -10.882 91 HZ2 LYS 10 HZ2 LYS 10 -9.731 -5.877 -9.314 92 HZ3 LYS 10 HZ3 LYS 10 -9.236 -6.755 -10.642 93 H TYR 11 HN TYR 11 -7.091 1.163 -7.390 94 HA TYR 11 HA TYR 11 -7.596 3.358 -9.185 95 HB2 TYR 11 HB2 TYR 11 -8.888 2.959 -6.980 96 HB3 TYR 11 HB1 TYR 11 -7.419 3.410 -6.189 97 HD1 TYR 11 HD1 TYR 11 -9.825 4.818 -8.665 98 HD2 TYR 11 HD2 TYR 11 -6.903 5.585 -5.674 99 HE1 TYR 11 HE1 TYR 11 -10.306 7.231 -8.812 100 HE2 TYR 11 HE2 TYR 11 -7.375 7.986 -5.811 101 HH TYR 11 HH TYR 11 -10.057 9.214 -7.355 102 H ILE 12 HN ILE 12 -5.342 2.628 -6.597 103 HA ILE 12 HA ILE 12 -3.939 5.073 -6.599 104 HB ILE 12 HB ILE 12 -3.083 2.338 -5.604 105 HG12 ILE 12 HG12 ILE 12 -5.255 3.166 -4.723 106 HG13 ILE 12 HG11 ILE 12 -4.031 2.989 -3.453 107 HG21 ILE 12 HG21 ILE 12 -2.045 5.072 -4.835 108 HG22 ILE 12 HG22 ILE 12 -1.168 3.859 -5.763 109 HG23 ILE 12 HG23 ILE 12 -1.585 3.547 -4.075 110 HD11 ILE 12 HD11 ILE 12 -4.959 5.551 -4.763 111 HD12 ILE 12 HD12 ILE 12 -3.706 5.438 -3.529 112 HD13 ILE 12 HD13 ILE 12 -5.366 4.989 -3.143 113 H CYS 13 HN CYS 13 -3.571 2.301 -8.620 114 HA CYS 13 HA CYS 13 -0.994 2.629 -9.556 115 HB2 CYS 13 HB2 CYS 13 -3.448 1.803 -11.086 116 HB3 CYS 13 HB1 CYS 13 -1.791 1.581 -11.638 117 HG CYS 13 HG CYS 13 -1.109 -0.192 -9.600 118 H ARG 14 HN ARG 14 -3.842 4.631 -10.330 119 HA ARG 14 HA ARG 14 -2.423 5.892 -12.527 120 HB2 ARG 14 HB2 ARG 14 -4.487 6.983 -13.016 121 HB3 ARG 14 HB1 ARG 14 -4.793 5.271 -12.779 122 HG2 ARG 14 HG2 ARG 14 -5.527 5.833 -10.446 123 HG3 ARG 14 HG1 ARG 14 -5.403 7.532 -10.901 124 HD2 ARG 14 HD2 ARG 14 -7.697 6.763 -11.110 125 HD3 ARG 14 HD1 ARG 14 -7.024 7.146 -12.701 126 HE ARG 14 HE ARG 14 -6.541 4.561 -12.599 127 HH11 ARG 14 HH11 ARG 14 -9.506 6.259 -11.690 128 HH12 ARG 14 HH12 ARG 14 -10.529 4.971 -12.134 129 HH21 ARG 14 HH21 ARG 14 -7.926 2.835 -13.230 130 HH22 ARG 14 HH22 ARG 14 -9.612 2.980 -13.057 131 H ASN 15 HN ASN 15 -2.492 6.281 -9.273 132 HA ASN 15 HA ASN 15 -1.755 9.121 -9.488 133 HB2 ASN 15 HB2 ASN 15 -2.631 9.435 -7.116 134 HB3 ASN 15 HB1 ASN 15 -3.871 9.139 -8.336 135 HD21 ASN 15 HD21 ASN 15 -5.074 7.444 -8.278 136 HD22 ASN 15 HD22 ASN 15 -5.032 6.271 -7.007 137 H PHE 16 HN PHE 16 -0.502 6.481 -9.463 138 HA PHE 16 HA PHE 16 1.080 5.999 -7.236 139 HB2 PHE 16 HB2 PHE 16 0.940 4.555 -9.298 140 HB3 PHE 16 HB1 PHE 16 1.991 5.705 -10.110 141 HD1 PHE 16 HD1 PHE 16 4.360 5.868 -9.504 142 HD2 PHE 16 HD2 PHE 16 1.787 3.036 -7.649 143 HE1 PHE 16 HE1 PHE 16 6.316 4.661 -8.637 144 HE2 PHE 16 HE2 PHE 16 3.744 1.823 -6.785 145 HZ PHE 16 HZ PHE 16 6.010 2.642 -7.278 146 H SER 17 HN SER 17 1.427 8.465 -9.694 147 HA SER 17 HA SER 17 4.045 9.279 -9.022 148 HB2 SER 17 HB2 SER 17 1.832 10.866 -10.335 149 HB3 SER 17 HB1 SER 17 3.541 11.310 -10.317 150 HG SER 17 HG SER 17 2.207 9.322 -11.722 151 H ASN 18 HN ASN 18 1.100 9.698 -7.325 152 HA ASN 18 HA ASN 18 1.985 12.048 -5.862 153 HB2 ASN 18 HB2 ASN 18 -0.429 10.241 -5.599 154 HB3 ASN 18 HB1 ASN 18 -0.147 11.577 -4.508 155 HD21 ASN 18 HD21 ASN 18 -1.983 12.637 -5.068 156 HD22 ASN 18 HD22 ASN 18 -2.232 13.380 -6.595 157 H PHE 19 HN PHE 19 2.449 8.708 -5.809 158 HA PHE 19 HA PHE 19 3.120 8.683 -2.968 159 HB2 PHE 19 HB2 PHE 19 2.027 6.542 -4.793 160 HB3 PHE 19 HB1 PHE 19 2.757 6.195 -3.239 161 HD1 PHE 19 HD1 PHE 19 -0.092 7.843 -4.922 162 HD2 PHE 19 HD2 PHE 19 1.524 6.466 -1.236 163 HE1 PHE 19 HE1 PHE 19 -2.284 8.146 -3.853 164 HE2 PHE 19 HE2 PHE 19 -0.665 6.770 -0.159 165 HZ PHE 19 HZ PHE 19 -2.575 7.611 -1.469 166 H CYS 20 HN CYS 20 4.718 9.381 -5.521 167 HA CYS 20 HA CYS 20 6.428 7.069 -5.647 168 HB2 CYS 20 HB2 CYS 20 7.477 8.190 -7.511 169 HB3 CYS 20 HB1 CYS 20 5.740 8.122 -7.742 170 HG CYS 20 HG CYS 20 5.308 10.847 -7.220 171 H ASN 21 HN ASN 21 6.319 10.203 -4.279 172 HA ASN 21 HA ASN 21 9.074 9.903 -3.388 173 HB2 ASN 21 HB2 ASN 21 8.616 12.078 -4.557 174 HB3 ASN 21 HB1 ASN 21 7.370 12.427 -3.369 175 HD21 ASN 21 HD21 ASN 21 10.530 10.955 -2.616 176 HD22 ASN 21 HD22 ASN 21 11.100 12.288 -1.711 177 H VAL 22 HN VAL 22 8.164 8.307 -2.163 178 HA VAL 22 HA VAL 22 7.296 9.277 0.440 179 HB VAL 22 HB VAL 22 5.364 8.356 -1.109 180 HG11 VAL 22 HG11 VAL 22 4.920 6.078 -0.984 181 HG12 VAL 22 HG12 VAL 22 6.540 5.796 -0.320 182 HG13 VAL 22 HG13 VAL 22 6.341 6.473 -1.957 183 HG21 VAL 22 HG21 VAL 22 5.690 7.276 1.671 184 HG22 VAL 22 HG22 VAL 22 4.187 7.334 0.751 185 HG23 VAL 22 HG23 VAL 22 4.995 8.831 1.217 186 H ASP 23 HN ASP 23 7.566 7.274 2.000 187 HA ASP 23 HA ASP 23 10.085 6.022 1.255 188 HB2 ASP 23 HB2 ASP 23 9.742 7.343 3.539 189 HB3 ASP 23 HB1 ASP 23 8.899 5.879 4.005 190 H VAL 24 HN VAL 24 10.219 3.762 2.404 191 HA VAL 24 HA VAL 24 7.712 2.277 2.071 192 HB VAL 24 HB VAL 24 10.337 1.365 0.791 193 HG11 VAL 24 HG11 VAL 24 8.983 -0.424 -0.198 194 HG12 VAL 24 HG12 VAL 24 7.617 0.070 0.795 195 HG13 VAL 24 HG13 VAL 24 9.091 -0.555 1.563 196 HG21 VAL 24 HG21 VAL 24 9.289 3.131 -0.511 197 HG22 VAL 24 HG22 VAL 24 7.768 2.242 -0.515 198 HG23 VAL 24 HG23 VAL 24 9.177 1.585 -1.349 199 H VAL 25 HN VAL 25 10.936 2.536 3.436 200 HA VAL 25 HA VAL 25 10.624 0.086 4.903 201 HB VAL 25 HB VAL 25 12.803 0.596 5.935 202 HG11 VAL 25 HG11 VAL 25 12.752 0.607 2.913 203 HG12 VAL 25 HG12 VAL 25 12.692 -0.811 3.959 204 HG13 VAL 25 HG13 VAL 25 14.152 0.174 3.896 205 HG21 VAL 25 HG21 VAL 25 12.837 3.013 5.799 206 HG22 VAL 25 HG22 VAL 25 12.852 2.943 4.038 207 HG23 VAL 25 HG23 VAL 25 14.241 2.362 4.955 208 H GLU 26 HN GLU 26 10.316 3.520 5.473 209 HA GLU 26 HA GLU 26 10.003 3.265 8.243 210 HB2 GLU 26 HB2 GLU 26 9.113 5.376 6.288 211 HB3 GLU 26 HB1 GLU 26 8.982 5.530 8.007 212 HG2 GLU 26 HG2 GLU 26 11.480 5.150 8.136 213 HG3 GLU 26 HG1 GLU 26 11.494 5.339 6.386 214 H ILE 27 HN ILE 27 8.030 2.557 5.599 215 HA ILE 27 HA ILE 27 5.453 2.658 6.998 216 HB ILE 27 HB ILE 27 6.364 1.743 4.256 217 HG12 ILE 27 HG12 ILE 27 4.623 4.052 5.126 218 HG13 ILE 27 HG11 ILE 27 6.298 4.151 4.599 219 HG21 ILE 27 HG21 ILE 27 3.539 1.636 5.288 220 HG22 ILE 27 HG22 ILE 27 4.558 0.267 4.849 221 HG23 ILE 27 HG23 ILE 27 4.034 1.405 3.612 222 HD11 ILE 27 HD11 ILE 27 5.669 3.403 2.400 223 HD12 ILE 27 HD12 ILE 27 4.759 4.844 2.858 224 HD13 ILE 27 HD13 ILE 27 3.981 3.253 2.899 225 H LEU 28 HN LEU 28 7.899 0.294 6.279 226 HA LEU 28 HA LEU 28 6.451 -2.034 6.566 227 HB2 LEU 28 HB2 LEU 28 9.317 -1.587 7.375 228 HB3 LEU 28 HB1 LEU 28 8.564 -3.157 7.168 229 HG LEU 28 HG LEU 28 8.991 -1.107 5.006 230 HD11 LEU 28 HD11 LEU 28 11.055 -2.153 5.733 231 HD12 LEU 28 HD12 LEU 28 10.600 -2.708 4.123 232 HD13 LEU 28 HD13 LEU 28 10.336 -3.747 5.524 233 HD21 LEU 28 HD21 LEU 28 8.258 -2.880 3.485 234 HD22 LEU 28 HD22 LEU 28 6.981 -2.384 4.589 235 HD23 LEU 28 HD23 LEU 28 7.852 -3.895 4.869 236 HA PRO 29 HA PRO 29 7.225 -2.246 11.373 237 HB2 PRO 29 HB2 PRO 29 7.517 0.160 12.643 238 HB3 PRO 29 HB1 PRO 29 8.877 -0.863 12.163 239 HG2 PRO 29 HG2 PRO 29 7.719 1.514 10.768 240 HG3 PRO 29 HG1 PRO 29 9.418 1.097 11.043 241 HD2 PRO 29 HD2 PRO 29 8.250 0.658 8.682 242 HD3 PRO 29 HD1 PRO 29 9.434 -0.483 9.350 243 H TYR 30 HN TYR 30 5.501 0.125 9.650 244 HA TYR 30 HA TYR 30 3.489 0.540 11.666 245 HB2 TYR 30 HB2 TYR 30 4.137 1.662 9.013 246 HB3 TYR 30 HB1 TYR 30 2.523 1.960 9.563 247 HD1 TYR 30 HD2 TYR 30 6.063 2.631 10.015 248 HD2 TYR 30 HD1 TYR 30 2.191 3.458 11.536 249 HE1 TYR 30 HE2 TYR 30 6.981 4.524 11.280 250 HE2 TYR 30 HE1 TYR 30 3.097 5.361 12.807 251 HH TYR 30 HH TYR 30 5.176 6.161 13.686 252 H LEU 31 HN LEU 31 4.083 -1.652 9.141 253 HA LEU 31 HA LEU 31 1.275 -2.434 9.065 254 HB2 LEU 31 HB2 LEU 31 3.496 -2.703 7.065 255 HB3 LEU 31 HB1 LEU 31 2.113 -3.764 7.012 256 HG LEU 31 HG LEU 31 0.642 -1.805 6.633 257 HD11 LEU 31 HD11 LEU 31 1.557 0.326 6.065 258 HD12 LEU 31 HD12 LEU 31 3.153 -0.220 6.594 259 HD13 LEU 31 HD13 LEU 31 1.827 -0.106 7.752 260 HD21 LEU 31 HD21 LEU 31 2.959 -2.000 4.737 261 HD22 LEU 31 HD22 LEU 31 1.388 -1.296 4.357 262 HD23 LEU 31 HD23 LEU 31 1.524 -3.020 4.718 263 HA PRO 32 HA PRO 32 2.993 -6.234 10.836 264 HB2 PRO 32 HB2 PRO 32 0.856 -6.620 12.561 265 HB3 PRO 32 HB1 PRO 32 2.332 -5.755 12.983 266 HG2 PRO 32 HG2 PRO 32 -0.316 -4.677 12.694 267 HG3 PRO 32 HG1 PRO 32 1.172 -3.811 13.105 268 HD2 PRO 32 HD2 PRO 32 -0.222 -4.042 10.509 269 HD3 PRO 32 HD1 PRO 32 0.904 -2.795 11.086 270 H CYS 33 HN CYS 33 0.864 -5.506 8.692 271 HA CYS 33 HA CYS 33 -1.110 -7.604 8.771 272 HB2 CYS 33 HB2 CYS 33 -1.614 -5.381 7.876 273 HB3 CYS 33 HB1 CYS 33 -0.443 -5.629 6.590 274 HG CYS 33 HG CYS 33 -3.272 -7.508 6.998 275 H LEU 34 HN LEU 34 2.038 -7.224 7.348 276 HA LEU 34 HA LEU 34 1.509 -9.450 5.547 277 HB2 LEU 34 HB2 LEU 34 3.830 -7.558 5.583 278 HB3 LEU 34 HB1 LEU 34 3.576 -8.849 4.430 279 HG LEU 34 HG LEU 34 1.325 -7.506 4.019 280 HD11 LEU 34 HD11 LEU 34 1.654 -5.122 4.108 281 HD12 LEU 34 HD12 LEU 34 3.186 -5.355 4.952 282 HD13 LEU 34 HD13 LEU 34 1.672 -5.863 5.710 283 HD21 LEU 34 HD21 LEU 34 4.013 -6.789 2.888 284 HD22 LEU 34 HD22 LEU 34 2.436 -6.440 2.144 285 HD23 LEU 34 HD23 LEU 34 2.947 -8.117 2.419 286 H THR 35 HN THR 35 3.238 -11.073 5.374 287 HA THR 35 HA THR 35 4.053 -12.018 7.872 288 HB THR 35 HB THR 35 5.380 -13.190 5.599 289 HG1 THR 35 HG1 THR 35 3.939 -12.863 4.153 290 HG21 THR 35 HG21 THR 35 3.043 -14.087 7.312 291 HG22 THR 35 HG22 THR 35 4.746 -14.389 7.665 292 HG23 THR 35 HG23 THR 35 3.985 -15.130 6.253 293 H ALA 36 HN ALA 36 6.317 -12.488 8.408 294 HA ALA 36 HA ALA 36 7.953 -10.299 8.561 295 HB1 ALA 36 HB1 ALA 36 8.113 -12.264 10.015 296 HB2 ALA 36 HB2 ALA 36 9.687 -11.802 9.363 297 HB3 ALA 36 HB3 ALA 36 8.821 -13.183 8.687 298 H ARG 37 HN ARG 37 8.469 -13.088 6.333 299 HA ARG 37 HA ARG 37 10.728 -12.000 5.135 300 HB2 ARG 37 HB2 ARG 37 8.773 -14.027 4.132 301 HB3 ARG 37 HB1 ARG 37 10.284 -13.624 3.347 302 HG2 ARG 37 HG2 ARG 37 11.447 -14.306 5.456 303 HG3 ARG 37 HG1 ARG 37 9.890 -14.913 6.024 304 HD2 ARG 37 HD2 ARG 37 11.069 -16.736 5.024 305 HD3 ARG 37 HD1 ARG 37 9.727 -16.232 3.973 306 HE ARG 37 HE ARG 37 12.177 -14.939 3.344 307 HH11 ARG 37 HH11 ARG 37 10.316 -17.903 2.736 308 HH12 ARG 37 HH12 ARG 37 11.065 -18.247 1.251 309 HH21 ARG 37 HH21 ARG 37 13.231 -15.436 1.293 310 HH22 ARG 37 HH22 ARG 37 12.751 -16.786 0.397 311 H ASP 38 HN ASP 38 7.363 -11.676 4.415 312 HA ASP 38 HA ASP 38 7.589 -10.575 1.826 313 HB2 ASP 38 HB2 ASP 38 5.448 -10.265 3.913 314 HB3 ASP 38 HB1 ASP 38 5.331 -9.468 2.339 315 H GLN 39 HN GLN 39 7.648 -9.045 4.966 316 HA GLN 39 HA GLN 39 7.892 -6.452 3.752 317 HB2 GLN 39 HB2 GLN 39 8.107 -7.277 6.645 318 HB3 GLN 39 HB1 GLN 39 8.053 -5.614 6.067 319 HG2 GLN 39 HG2 GLN 39 5.860 -6.073 5.030 320 HG3 GLN 39 HG1 GLN 39 5.923 -7.693 5.709 321 HE21 GLN 39 HE21 GLN 39 7.050 -4.913 7.444 322 HE22 GLN 39 HE22 GLN 39 5.739 -4.831 8.562 323 H ASP 40 HN ASP 40 9.971 -8.828 5.144 324 HA ASP 40 HA ASP 40 12.385 -7.387 5.224 325 HB2 ASP 40 HB2 ASP 40 12.135 -9.620 6.207 326 HB3 ASP 40 HB1 ASP 40 11.885 -10.299 4.611 327 H ARG 41 HN ARG 41 10.823 -9.218 2.717 328 HA ARG 41 HA ARG 41 12.627 -9.104 0.622 329 HB2 ARG 41 HB2 ARG 41 10.527 -10.401 0.747 330 HB3 ARG 41 HB1 ARG 41 9.626 -8.918 0.529 331 HG2 ARG 41 HG2 ARG 41 10.670 -8.643 -1.653 332 HG3 ARG 41 HG1 ARG 41 11.465 -10.210 -1.469 333 HD2 ARG 41 HD2 ARG 41 8.496 -9.656 -1.535 334 HD3 ARG 41 HD1 ARG 41 9.442 -10.527 -2.737 335 HE ARG 41 HE ARG 41 9.858 -12.196 -0.916 336 HH11 ARG 41 HH11 ARG 41 6.898 -10.261 -0.971 337 HH12 ARG 41 HH12 ARG 41 5.988 -11.363 -0.031 338 HH21 ARG 41 HH21 ARG 41 8.611 -13.697 0.319 339 HH22 ARG 41 HH22 ARG 41 6.968 -13.397 0.677 340 H LEU 42 HN LEU 42 10.118 -6.787 1.550 341 HA LEU 42 HA LEU 42 10.528 -4.933 -0.538 342 HB2 LEU 42 HB2 LEU 42 9.394 -4.607 2.237 343 HB3 LEU 42 HB1 LEU 42 9.375 -3.330 1.036 344 HG LEU 42 HG LEU 42 8.067 -6.011 0.551 345 HD11 LEU 42 HD11 LEU 42 5.957 -4.921 1.137 346 HD12 LEU 42 HD12 LEU 42 6.832 -3.468 1.610 347 HD13 LEU 42 HD13 LEU 42 7.042 -4.961 2.524 348 HD21 LEU 42 HD21 LEU 42 7.601 -3.302 -0.688 349 HD22 LEU 42 HD22 LEU 42 6.933 -4.848 -1.220 350 HD23 LEU 42 HD23 LEU 42 8.661 -4.522 -1.364 351 H ARG 43 HN ARG 43 11.755 -5.066 2.743 352 HA ARG 43 HA ARG 43 13.318 -2.729 2.648 353 HB2 ARG 43 HB2 ARG 43 12.633 -3.840 4.696 354 HB3 ARG 43 HB1 ARG 43 13.605 -5.236 4.288 355 HG2 ARG 43 HG2 ARG 43 15.630 -3.930 4.561 356 HG3 ARG 43 HG1 ARG 43 14.665 -2.484 4.896 357 HD2 ARG 43 HD2 ARG 43 15.469 -3.601 6.954 358 HD3 ARG 43 HD1 ARG 43 13.710 -3.511 6.850 359 HE ARG 43 HE ARG 43 15.063 -5.930 5.935 360 HH11 ARG 43 HH11 ARG 43 12.883 -4.393 8.278 361 HH12 ARG 43 HH12 ARG 43 12.360 -5.855 8.961 362 HH21 ARG 43 HH21 ARG 43 14.279 -7.959 6.850 363 HH22 ARG 43 HH22 ARG 43 13.174 -7.927 8.135 364 H ALA 44 HN ALA 44 14.081 -6.101 1.950 365 HA ALA 44 HA ALA 44 16.805 -5.804 1.400 366 HB1 ALA 44 HB1 ALA 44 15.751 -7.970 1.834 367 HB2 ALA 44 HB2 ALA 44 16.653 -7.977 0.319 368 HB3 ALA 44 HB3 ALA 44 14.893 -7.858 0.298 369 H THR 45 HN THR 45 13.972 -5.371 -0.650 370 HA THR 45 HA THR 45 15.553 -5.130 -3.022 371 HB THR 45 HB THR 45 12.680 -4.211 -2.632 372 HG1 THR 45 HG1 THR 45 12.692 -6.357 -2.152 373 HG21 THR 45 HG21 THR 45 14.206 -5.043 -5.129 374 HG22 THR 45 HG22 THR 45 13.815 -3.392 -4.707 375 HG23 THR 45 HG23 THR 45 12.519 -4.536 -5.075 376 H CYS 46 HN CYS 46 14.178 -2.948 -0.660 377 HA CYS 46 HA CYS 46 14.593 -0.493 -1.923 378 HB2 CYS 46 HB2 CYS 46 13.266 -0.833 0.083 379 HB3 CYS 46 HB1 CYS 46 14.671 -1.205 1.010 380 HG CYS 46 HG CYS 46 13.319 1.698 0.760 381 H THR 47 HN THR 47 16.609 -2.364 0.157 382 HA THR 47 HA THR 47 18.811 -0.525 -0.075 383 HB THR 47 HB THR 47 18.406 -1.874 2.015 384 HG1 THR 47 HG1 THR 47 20.374 -1.002 1.911 385 HG21 THR 47 HG21 THR 47 17.900 -4.033 0.974 386 HG22 THR 47 HG22 THR 47 19.236 -4.188 2.118 387 HG23 THR 47 HG23 THR 47 19.558 -4.146 0.381 388 H LEU 48 HN LEU 48 17.625 -2.684 -2.283 389 HA LEU 48 HA LEU 48 20.192 -3.518 -3.281 390 HB2 LEU 48 HB2 LEU 48 18.602 -5.260 -3.043 391 HB3 LEU 48 HB1 LEU 48 17.342 -4.295 -3.786 392 HG LEU 48 HG LEU 48 18.552 -4.325 -5.824 393 HD11 LEU 48 HD11 LEU 48 20.318 -6.109 -6.168 394 HD12 LEU 48 HD12 LEU 48 20.306 -6.364 -4.422 395 HD13 LEU 48 HD13 LEU 48 20.813 -4.810 -5.083 396 HD21 LEU 48 HD21 LEU 48 16.718 -5.842 -5.528 397 HD22 LEU 48 HD22 LEU 48 17.769 -7.027 -4.751 398 HD23 LEU 48 HD23 LEU 48 17.967 -6.665 -6.462 399 H SER 49 HN SER 49 17.097 -2.122 -4.437 400 HA SER 49 HA SER 49 18.560 -0.931 -6.636 401 HB2 SER 49 HB2 SER 49 16.248 -0.638 -7.605 402 HB3 SER 49 HB1 SER 49 16.700 -2.318 -7.305 403 HG SER 49 HG SER 49 14.560 -1.682 -6.634 404 H GLY 50 HN GLY 50 15.649 0.083 -4.983 405 HA2 GLY 50 HA2 GLY 50 16.755 2.339 -3.708 406 HA3 GLY 50 HA1 GLY 50 15.991 2.788 -5.233 407 H ASN 51 HN ASN 51 14.998 3.667 -2.860 408 HA ASN 51 HA ASN 51 13.031 1.957 -1.697 409 HB2 ASN 51 HB2 ASN 51 14.011 4.013 -0.556 410 HB3 ASN 51 HB1 ASN 51 13.033 4.977 -1.655 411 HD21 ASN 51 HD21 ASN 51 10.898 5.302 -1.104 412 HD22 ASN 51 HD22 ASN 51 10.313 4.514 0.290 413 H ARG 52 HN ARG 52 13.019 4.468 -4.030 414 HA ARG 52 HA ARG 52 10.223 4.596 -4.482 415 HB2 ARG 52 HB2 ARG 52 11.829 6.396 -4.995 416 HB3 ARG 52 HB1 ARG 52 12.506 5.419 -6.276 417 HG2 ARG 52 HG2 ARG 52 10.446 5.573 -7.524 418 HG3 ARG 52 HG1 ARG 52 9.688 6.473 -6.203 419 HD2 ARG 52 HD2 ARG 52 11.414 8.199 -6.411 420 HD3 ARG 52 HD1 ARG 52 12.115 7.326 -7.765 421 HE ARG 52 HE ARG 52 9.643 7.700 -8.621 422 HH11 ARG 52 HH11 ARG 52 11.820 9.989 -6.980 423 HH12 ARG 52 HH12 ARG 52 11.288 11.330 -7.891 424 HH21 ARG 52 HH21 ARG 52 8.918 9.631 -9.842 425 HH22 ARG 52 HH22 ARG 52 9.652 11.134 -9.496 426 H ASP 53 HN ASP 53 12.796 2.696 -5.931 427 HA ASP 53 HA ASP 53 11.203 1.509 -7.980 428 HB2 ASP 53 HB2 ASP 53 13.653 1.458 -8.135 429 HB3 ASP 53 HB1 ASP 53 13.749 0.480 -6.676 430 H THR 54 HN THR 54 11.887 0.793 -4.679 431 HA THR 54 HA THR 54 10.745 -1.782 -4.580 432 HB THR 54 HB THR 54 11.157 0.231 -2.346 433 HG1 THR 54 HG1 THR 54 13.082 -0.301 -3.496 434 HG21 THR 54 HG21 THR 54 11.255 -1.721 -0.890 435 HG22 THR 54 HG22 THR 54 10.926 -2.785 -2.258 436 HG23 THR 54 HG23 THR 54 9.682 -1.661 -1.697 437 H LEU 55 HN LEU 55 9.423 1.420 -4.451 438 HA LEU 55 HA LEU 55 6.912 0.985 -3.410 439 HB2 LEU 55 HB2 LEU 55 7.863 2.846 -5.565 440 HB3 LEU 55 HB1 LEU 55 6.176 2.811 -5.093 441 HG LEU 55 HG LEU 55 8.406 3.372 -3.124 442 HD11 LEU 55 HD11 LEU 55 6.601 5.269 -4.619 443 HD12 LEU 55 HD12 LEU 55 8.339 5.162 -4.880 444 HD13 LEU 55 HD13 LEU 55 7.680 5.731 -3.329 445 HD21 LEU 55 HD21 LEU 55 6.650 4.176 -1.787 446 HD22 LEU 55 HD22 LEU 55 6.183 2.540 -2.316 447 HD23 LEU 55 HD23 LEU 55 5.515 3.995 -3.108 448 H TRP 56 HN TRP 56 8.067 0.290 -6.707 449 HA TRP 56 HA TRP 56 5.540 -0.407 -7.741 450 HB2 TRP 56 HB2 TRP 56 8.327 -1.123 -8.638 451 HB3 TRP 56 HB1 TRP 56 6.868 -1.502 -9.521 452 HD1 TRP 56 HD1 TRP 56 9.203 1.389 -8.709 453 HE1 TRP 56 HE1 TRP 56 8.618 3.366 -10.244 454 HE3 TRP 56 HE3 TRP 56 4.911 -0.430 -10.723 455 HZ2 TRP 56 HZ2 TRP 56 6.579 4.072 -12.073 456 HZ3 TRP 56 HZ3 TRP 56 3.675 0.956 -12.369 457 HH2 TRP 56 HH2 TRP 56 4.503 3.157 -13.025 458 H HIS 57 HN HIS 57 7.958 -2.098 -5.932 459 HA HIS 57 HA HIS 57 6.816 -4.695 -6.473 460 HB2 HIS 57 HB2 HIS 57 9.273 -4.408 -6.095 461 HB3 HIS 57 HB1 HIS 57 8.939 -3.907 -4.442 462 HD1 HIS 57 HD1 HIS 57 8.743 -6.983 -6.669 463 HD2 HIS 57 HD2 HIS 57 8.626 -5.959 -2.650 464 HE1 HIS 57 HE1 HIS 57 8.819 -9.130 -5.405 465 H LEU 58 HN LEU 58 6.745 -2.240 -4.016 466 HA LEU 58 HA LEU 58 5.302 -3.573 -2.014 467 HB2 LEU 58 HB2 LEU 58 6.365 -1.363 -1.692 468 HB3 LEU 58 HB1 LEU 58 5.241 -0.655 -2.816 469 HG LEU 58 HG LEU 58 3.378 -1.189 -1.261 470 HD11 LEU 58 HD11 LEU 58 5.585 -1.980 0.622 471 HD12 LEU 58 HD12 LEU 58 4.366 -3.054 -0.068 472 HD13 LEU 58 HD13 LEU 58 3.889 -1.782 1.055 473 HD21 LEU 58 HD21 LEU 58 4.358 1.032 -1.242 474 HD22 LEU 58 HD22 LEU 58 5.598 0.493 -0.108 475 HD23 LEU 58 HD23 LEU 58 3.912 0.541 0.395 476 H PHE 59 HN PHE 59 4.164 -1.348 -4.527 477 HA PHE 59 HA PHE 59 1.456 -2.257 -4.238 478 HB2 PHE 59 HB2 PHE 59 2.731 -0.378 -6.240 479 HB3 PHE 59 HB1 PHE 59 1.016 -0.755 -6.231 480 HD1 PHE 59 HD2 PHE 59 -0.373 -0.089 -4.270 481 HD2 PHE 59 HD1 PHE 59 3.652 1.216 -4.744 482 HE1 PHE 59 HE2 PHE 59 -0.770 1.721 -2.653 483 HE2 PHE 59 HE1 PHE 59 3.255 3.031 -3.130 484 HZ PHE 59 HZ PHE 59 1.041 3.284 -2.088 485 H ASN 60 HN ASN 60 2.428 -4.388 -4.521 486 HA ASN 60 HA ASN 60 1.519 -5.615 -6.943 487 HB2 ASN 60 HB2 ASN 60 3.790 -4.871 -7.642 488 HB3 ASN 60 HB1 ASN 60 4.478 -5.702 -6.265 489 HD21 ASN 60 HD21 ASN 60 4.668 -7.985 -6.301 490 HD22 ASN 60 HD22 ASN 60 4.421 -8.871 -7.751 491 H THR 61 HN THR 61 3.694 -5.947 -4.181 492 HA THR 61 HA THR 61 2.831 -8.642 -3.666 493 HB THR 61 HB THR 61 4.649 -6.834 -2.066 494 HG1 THR 61 HG1 THR 61 5.789 -6.988 -3.841 495 HG21 THR 61 HG21 THR 61 3.884 -8.864 -0.872 496 HG22 THR 61 HG22 THR 61 5.603 -8.943 -1.245 497 HG23 THR 61 HG23 THR 61 4.450 -9.860 -2.213 498 H LEU 62 HN LEU 62 2.285 -5.366 -2.271 499 HA LEU 62 HA LEU 62 1.359 -6.105 0.189 500 HB2 LEU 62 HB2 LEU 62 2.285 -3.970 -0.456 501 HB3 LEU 62 HB1 LEU 62 0.964 -3.705 -1.562 502 HG LEU 62 HG LEU 62 -0.533 -3.700 0.261 503 HD11 LEU 62 HD11 LEU 62 1.997 -3.751 1.945 504 HD12 LEU 62 HD12 LEU 62 0.700 -4.951 1.954 505 HD13 LEU 62 HD13 LEU 62 0.416 -3.333 2.593 506 HD21 LEU 62 HD21 LEU 62 1.673 -1.654 0.377 507 HD22 LEU 62 HD22 LEU 62 0.087 -1.436 1.114 508 HD23 LEU 62 HD23 LEU 62 0.229 -1.612 -0.634 509 H GLN 63 HN GLN 63 -0.235 -5.788 -2.944 510 HA GLN 63 HA GLN 63 -2.893 -5.639 -1.950 511 HB2 GLN 63 HB2 GLN 63 -3.640 -6.193 -4.232 512 HB3 GLN 63 HB1 GLN 63 -2.478 -4.878 -4.199 513 HG2 GLN 63 HG2 GLN 63 -0.885 -6.070 -5.286 514 HG3 GLN 63 HG1 GLN 63 -1.418 -7.624 -4.670 515 HE21 GLN 63 HE21 GLN 63 -0.786 -6.881 -7.427 516 HE22 GLN 63 HE22 GLN 63 -2.231 -7.129 -8.304 517 H ARG 64 HN ARG 64 -0.741 -8.250 -2.136 518 HA ARG 64 HA ARG 64 -2.828 -10.219 -2.380 519 HB2 ARG 64 HB2 ARG 64 0.165 -10.454 -2.144 520 HB3 ARG 64 HB1 ARG 64 -0.893 -11.860 -2.062 521 HG2 ARG 64 HG2 ARG 64 -0.821 -9.920 -4.372 522 HG3 ARG 64 HG1 ARG 64 0.053 -11.457 -4.324 523 HD2 ARG 64 HD2 ARG 64 -1.987 -12.689 -4.169 524 HD3 ARG 64 HD1 ARG 64 -2.945 -11.234 -3.969 525 HE ARG 64 HE ARG 64 -1.867 -10.794 -6.328 526 HH11 ARG 64 HH11 ARG 64 -3.174 -13.840 -5.100 527 HH12 ARG 64 HH12 ARG 64 -3.984 -14.261 -6.529 528 HH21 ARG 64 HH21 ARG 64 -3.016 -11.360 -8.331 529 HH22 ARG 64 HH22 ARG 64 -3.878 -12.821 -8.404 530 H ARG 65 HN ARG 65 -1.943 -8.322 0.019 531 HA ARG 65 HA ARG 65 -2.713 -10.358 1.958 532 HB2 ARG 65 HB2 ARG 65 -1.305 -7.727 2.549 533 HB3 ARG 65 HB1 ARG 65 -1.640 -9.024 3.695 534 HG2 ARG 65 HG2 ARG 65 0.280 -9.157 1.362 535 HG3 ARG 65 HG1 ARG 65 0.712 -9.052 3.063 536 HD2 ARG 65 HD2 ARG 65 -0.260 -11.237 3.476 537 HD3 ARG 65 HD1 ARG 65 -0.820 -11.326 1.808 538 HE ARG 65 HE ARG 65 1.976 -10.922 1.872 539 HH11 ARG 65 HH11 ARG 65 -0.403 -13.509 2.445 540 HH12 ARG 65 HH12 ARG 65 0.687 -14.752 2.011 541 HH21 ARG 65 HH21 ARG 65 3.433 -12.672 1.284 542 HH22 ARG 65 HH22 ARG 65 2.842 -14.277 1.353 543 HA PRO 66 HA PRO 66 -6.406 -8.076 0.933 544 HB2 PRO 66 HB2 PRO 66 -8.155 -9.718 2.185 545 HB3 PRO 66 HB1 PRO 66 -7.378 -10.097 0.645 546 HG2 PRO 66 HG2 PRO 66 -6.661 -10.996 3.404 547 HG3 PRO 66 HG1 PRO 66 -6.731 -11.937 1.904 548 HD2 PRO 66 HD2 PRO 66 -4.424 -11.030 2.954 549 HD3 PRO 66 HD1 PRO 66 -4.666 -11.200 1.204 550 H GLY 67 HN GLY 67 -4.979 -7.217 3.416 551 HA2 GLY 67 HA2 GLY 67 -7.296 -5.790 4.505 552 HA3 GLY 67 HA1 GLY 67 -6.281 -6.660 5.651 553 H TRP 68 HN TRP 68 -4.583 -5.519 2.986 554 HA TRP 68 HA TRP 68 -2.727 -4.178 4.510 555 HB2 TRP 68 HB2 TRP 68 -1.728 -3.420 2.417 556 HB3 TRP 68 HB1 TRP 68 -2.173 -5.116 2.353 557 HD1 TRP 68 HD1 TRP 68 -4.186 -5.773 0.641 558 HE1 TRP 68 HE1 TRP 68 -5.073 -4.593 -1.461 559 HE3 TRP 68 HE3 TRP 68 -2.210 -1.107 1.406 560 HZ2 TRP 68 HZ2 TRP 68 -4.964 -2.036 -2.639 561 HZ3 TRP 68 HZ3 TRP 68 -2.654 0.646 -0.263 562 HH2 TRP 68 HH2 TRP 68 -3.999 0.187 -2.243 563 H VAL 69 HN VAL 69 -5.505 -2.850 2.920 564 HA VAL 69 HA VAL 69 -4.705 -0.224 2.560 565 HB VAL 69 HB VAL 69 -7.520 -1.096 3.201 566 HG11 VAL 69 HG11 VAL 69 -7.192 1.310 3.307 567 HG12 VAL 69 HG12 VAL 69 -8.171 0.852 1.914 568 HG13 VAL 69 HG13 VAL 69 -6.477 1.294 1.692 569 HG21 VAL 69 HG21 VAL 69 -6.612 -2.418 1.364 570 HG22 VAL 69 HG22 VAL 69 -6.100 -0.947 0.542 571 HG23 VAL 69 HG23 VAL 69 -7.815 -1.275 0.769 572 H GLU 70 HN GLU 70 -6.476 -1.518 5.391 573 HA GLU 70 HA GLU 70 -6.736 0.948 6.653 574 HB2 GLU 70 HB2 GLU 70 -6.890 -1.876 7.662 575 HB3 GLU 70 HB1 GLU 70 -7.360 -0.453 8.587 576 HG2 GLU 70 HG2 GLU 70 -9.069 0.093 7.006 577 HG3 GLU 70 HG1 GLU 70 -8.546 -1.186 5.921 578 H TYR 71 HN TYR 71 -4.136 -1.391 6.658 579 HA TYR 71 HA TYR 71 -2.818 -0.234 8.929 580 HB2 TYR 71 HB2 TYR 71 -1.944 -2.226 6.853 581 HB3 TYR 71 HB1 TYR 71 -1.021 -1.770 8.272 582 HD1 TYR 71 HD2 TYR 71 -1.774 -2.469 10.504 583 HD2 TYR 71 HD1 TYR 71 -3.800 -3.712 6.998 584 HE1 TYR 71 HE2 TYR 71 -2.863 -4.264 11.776 585 HE2 TYR 71 HE1 TYR 71 -4.900 -5.505 8.256 586 HH TYR 71 HH TYR 71 -4.937 -5.641 11.586 587 H PHE 72 HN PHE 72 -2.701 -0.143 5.452 588 HA PHE 72 HA PHE 72 -0.289 1.241 5.164 589 HB2 PHE 72 HB2 PHE 72 -1.490 -0.039 3.366 590 HB3 PHE 72 HB1 PHE 72 -2.671 1.259 3.295 591 HD1 PHE 72 HD2 PHE 72 1.014 0.756 3.123 592 HD2 PHE 72 HD1 PHE 72 -2.381 2.867 1.665 593 HE1 PHE 72 HE2 PHE 72 2.441 1.907 1.493 594 HE2 PHE 72 HE1 PHE 72 -0.958 4.023 0.023 595 HZ PHE 72 HZ PHE 72 1.462 3.544 -0.059 596 H ILE 73 HN ILE 73 -3.634 2.355 5.453 597 HA ILE 73 HA ILE 73 -3.232 5.106 5.125 598 HB ILE 73 HB ILE 73 -5.181 3.740 7.020 599 HG12 ILE 73 HG12 ILE 73 -5.625 4.782 4.215 600 HG13 ILE 73 HG11 ILE 73 -5.377 3.087 4.616 601 HG21 ILE 73 HG21 ILE 73 -5.190 6.561 5.934 602 HG22 ILE 73 HG22 ILE 73 -4.901 6.089 7.610 603 HG23 ILE 73 HG23 ILE 73 -6.487 5.834 6.885 604 HD11 ILE 73 HD11 ILE 73 -7.720 3.603 4.259 605 HD12 ILE 73 HD12 ILE 73 -7.662 4.815 5.543 606 HD13 ILE 73 HD13 ILE 73 -7.436 3.109 5.928 607 H ALA 74 HN ALA 74 -2.995 3.124 8.034 608 HA ALA 74 HA ALA 74 -2.378 5.184 9.846 609 HB1 ALA 74 HB1 ALA 74 -1.660 2.257 9.997 610 HB2 ALA 74 HB2 ALA 74 -3.169 2.981 10.556 611 HB3 ALA 74 HB3 ALA 74 -1.647 3.397 11.344 612 H ALA 75 HN ALA 75 -0.427 3.270 7.686 613 HA ALA 75 HA ALA 75 2.103 3.841 8.742 614 HB1 ALA 75 HB1 ALA 75 1.391 3.291 5.871 615 HB2 ALA 75 HB2 ALA 75 1.677 2.070 7.107 616 HB3 ALA 75 HB3 ALA 75 2.987 3.150 6.613 617 H LEU 76 HN LEU 76 0.447 5.443 5.915 618 HA LEU 76 HA LEU 76 2.355 7.409 5.631 619 HB2 LEU 76 HB2 LEU 76 -0.565 7.333 4.957 620 HB3 LEU 76 HB1 LEU 76 0.467 8.678 4.537 621 HG LEU 76 HG LEU 76 0.136 7.362 2.672 622 HD11 LEU 76 HD11 LEU 76 2.413 6.702 2.022 623 HD12 LEU 76 HD12 LEU 76 2.906 6.801 3.708 624 HD13 LEU 76 HD13 LEU 76 2.375 8.253 2.859 625 HD21 LEU 76 HD21 LEU 76 1.111 4.964 4.176 626 HD22 LEU 76 HD22 LEU 76 0.775 5.012 2.443 627 HD23 LEU 76 HD23 LEU 76 -0.526 5.280 3.604 628 H ARG 77 HN ARG 77 -0.559 7.315 7.562 629 HA ARG 77 HA ARG 77 -0.512 10.003 8.375 630 HB2 ARG 77 HB2 ARG 77 -2.466 8.506 8.501 631 HB3 ARG 77 HB1 ARG 77 -1.671 7.584 9.756 632 HG2 ARG 77 HG2 ARG 77 -1.858 9.374 11.300 633 HG3 ARG 77 HG1 ARG 77 -2.389 10.487 10.031 634 HD2 ARG 77 HD2 ARG 77 -4.261 9.666 11.405 635 HD3 ARG 77 HD1 ARG 77 -4.418 9.209 9.709 636 HE ARG 77 HE ARG 77 -3.205 7.296 11.521 637 HH11 ARG 77 HH11 ARG 77 -6.078 8.173 9.596 638 HH12 ARG 77 HH12 ARG 77 -6.851 6.678 9.838 639 HH21 ARG 77 HH21 ARG 77 -4.322 5.221 11.822 640 HH22 ARG 77 HH22 ARG 77 -5.831 4.972 11.090 641 H GLY 78 HN GLY 78 0.918 7.080 9.773 642 HA2 GLY 78 HA2 GLY 78 1.919 8.286 12.111 643 HA3 GLY 78 HA1 GLY 78 2.431 6.758 11.415 644 H CYS 79 HN CYS 79 3.303 7.845 8.877 645 HA CYS 79 HA CYS 79 5.832 8.888 9.794 646 HB2 CYS 79 HB2 CYS 79 6.575 8.576 7.392 647 HB3 CYS 79 HB1 CYS 79 6.019 7.108 8.171 648 HG CYS 79 HG CYS 79 3.741 6.874 6.866 649 H GLU 80 HN GLU 80 3.188 10.373 9.525 650 HA GLU 80 HA GLU 80 2.621 12.523 9.619 651 HB2 GLU 80 HB2 GLU 80 5.485 13.095 8.875 652 HB3 GLU 80 HB1 GLU 80 4.307 14.339 9.272 653 HG2 GLU 80 HG2 GLU 80 4.039 13.389 11.502 654 HG3 GLU 80 HG1 GLU 80 5.183 12.111 11.099 655 H LEU 81 HN LEU 81 2.976 10.893 7.000 656 HA LEU 81 HA LEU 81 2.500 13.066 5.137 657 HB2 LEU 81 HB2 LEU 81 2.590 10.079 4.651 658 HB3 LEU 81 HB1 LEU 81 2.514 11.322 3.413 659 HG LEU 81 HG LEU 81 4.828 10.872 5.309 660 HD11 LEU 81 HD11 LEU 81 4.614 10.387 2.361 661 HD12 LEU 81 HD12 LEU 81 4.623 9.136 3.593 662 HD13 LEU 81 HD13 LEU 81 6.047 10.141 3.350 663 HD21 LEU 81 HD21 LEU 81 4.596 13.222 4.743 664 HD22 LEU 81 HD22 LEU 81 4.514 12.813 3.029 665 HD23 LEU 81 HD23 LEU 81 5.997 12.519 3.934 666 H VAL 82 HN VAL 82 0.738 13.602 6.433 667 HA VAL 82 HA VAL 82 -1.514 11.999 6.944 668 HB VAL 82 HB VAL 82 -1.370 15.029 6.876 669 HG11 VAL 82 HG11 VAL 82 -3.664 14.203 6.929 670 HG12 VAL 82 HG12 VAL 82 -3.224 14.973 8.455 671 HG13 VAL 82 HG13 VAL 82 -3.280 13.213 8.339 672 HG21 VAL 82 HG21 VAL 82 -0.859 13.113 9.148 673 HG22 VAL 82 HG22 VAL 82 -0.923 14.868 9.288 674 HG23 VAL 82 HG23 VAL 82 0.344 14.103 8.326 675 H ASP 83 HN ASP 83 -0.713 14.097 4.243 676 HA ASP 83 HA ASP 83 -3.282 14.271 3.078 677 HB2 ASP 83 HB2 ASP 83 -1.446 15.734 2.348 678 HB3 ASP 83 HB1 ASP 83 -0.588 14.344 1.693 679 H LEU 84 HN LEU 84 -0.605 12.074 2.446 680 HA LEU 84 HA LEU 84 -1.911 10.534 0.486 681 HB2 LEU 84 HB2 LEU 84 0.349 9.788 2.333 682 HB3 LEU 84 HB1 LEU 84 -0.168 8.830 0.963 683 HG LEU 84 HG LEU 84 0.925 11.642 0.773 684 HD11 LEU 84 HD11 LEU 84 2.224 8.984 0.188 685 HD12 LEU 84 HD12 LEU 84 2.622 10.063 1.524 686 HD13 LEU 84 HD13 LEU 84 2.925 10.569 -0.137 687 HD21 LEU 84 HD21 LEU 84 0.339 9.578 -1.338 688 HD22 LEU 84 HD22 LEU 84 1.094 11.139 -1.613 689 HD23 LEU 84 HD23 LEU 84 -0.589 11.059 -1.071 690 H ALA 85 HN ALA 85 -1.759 10.228 3.986 691 HA ALA 85 HA ALA 85 -3.065 7.746 4.225 692 HB1 ALA 85 HB1 ALA 85 -3.132 10.091 6.133 693 HB2 ALA 85 HB2 ALA 85 -1.900 8.834 6.104 694 HB3 ALA 85 HB3 ALA 85 -3.556 8.429 6.531 695 H ASP 86 HN ASP 86 -4.275 11.056 4.101 696 HA ASP 86 HA ASP 86 -7.001 10.461 4.518 697 HB2 ASP 86 HB2 ASP 86 -6.143 12.736 4.816 698 HB3 ASP 86 HB1 ASP 86 -5.755 12.822 3.104 699 H GLU 87 HN GLU 87 -5.051 10.795 1.576 700 HA GLU 87 HA GLU 87 -7.012 10.582 -0.317 701 HB2 GLU 87 HB2 GLU 87 -4.146 9.710 -0.233 702 HB3 GLU 87 HB1 GLU 87 -5.128 9.580 -1.676 703 HG2 GLU 87 HG2 GLU 87 -4.638 12.153 -0.203 704 HG3 GLU 87 HG1 GLU 87 -3.674 11.602 -1.568 705 H VAL 88 HN VAL 88 -5.016 7.940 1.053 706 HA VAL 88 HA VAL 88 -6.325 5.869 -0.321 707 HB VAL 88 HB VAL 88 -4.883 5.682 2.348 708 HG11 VAL 88 HG11 VAL 88 -5.440 3.544 0.288 709 HG12 VAL 88 HG12 VAL 88 -6.225 3.699 1.857 710 HG13 VAL 88 HG13 VAL 88 -4.502 3.333 1.767 711 HG21 VAL 88 HG21 VAL 88 -3.463 6.690 0.648 712 HG22 VAL 88 HG22 VAL 88 -3.814 5.361 -0.454 713 HG23 VAL 88 HG23 VAL 88 -2.907 5.061 1.029 714 H ALA 89 HN ALA 89 -6.951 7.356 2.802 715 HA ALA 89 HA ALA 89 -8.921 5.579 3.703 716 HB1 ALA 89 HB1 ALA 89 -9.550 7.346 5.267 717 HB2 ALA 89 HB2 ALA 89 -8.606 8.509 4.327 718 HB3 ALA 89 HB3 ALA 89 -7.797 7.191 5.156 719 H SER 90 HN SER 90 -9.152 8.430 1.622 720 HA SER 90 HA SER 90 -12.006 8.426 1.584 721 HB2 SER 90 HB2 SER 90 -10.062 9.718 -0.337 722 HB3 SER 90 HB1 SER 90 -11.768 10.133 -0.136 723 HG SER 90 HG SER 90 -9.603 10.880 1.280 724 H VAL 91 HN VAL 91 -9.464 7.044 -0.366 725 HA VAL 91 HA VAL 91 -11.039 6.207 -2.543 726 HB VAL 91 HB VAL 91 -8.461 4.981 -1.478 727 HG11 VAL 91 HG11 VAL 91 -9.649 3.455 -2.988 728 HG12 VAL 91 HG12 VAL 91 -8.166 4.075 -3.722 729 HG13 VAL 91 HG13 VAL 91 -9.726 4.742 -4.195 730 HG21 VAL 91 HG21 VAL 91 -8.202 7.329 -2.051 731 HG22 VAL 91 HG22 VAL 91 -8.904 7.029 -3.643 732 HG23 VAL 91 HG23 VAL 91 -7.357 6.304 -3.212 733 H TYR 92 HN TYR 92 -9.971 4.459 0.369 734 HA TYR 92 HA TYR 92 -11.518 2.136 -0.310 735 HB2 TYR 92 HB2 TYR 92 -9.364 2.180 1.011 736 HB3 TYR 92 HB1 TYR 92 -10.300 2.777 2.372 737 HD1 TYR 92 HD1 TYR 92 -10.061 -0.093 0.007 738 HD2 TYR 92 HD2 TYR 92 -11.327 1.263 3.817 739 HE1 TYR 92 HE1 TYR 92 -10.506 -2.443 0.668 740 HE2 TYR 92 HE2 TYR 92 -11.797 -1.084 4.500 741 HH TYR 92 HH TYR 92 -10.949 -3.861 2.442 742 H GLN 93 HN GLN 93 -12.274 5.059 1.021 743 HA GLN 93 HA GLN 93 -14.512 4.353 2.646 744 HB2 GLN 93 HB2 GLN 93 -13.554 6.598 2.766 745 HB3 GLN 93 HB1 GLN 93 -13.891 6.864 1.071 746 HG2 GLN 93 HG2 GLN 93 -15.453 8.109 2.380 747 HG3 GLN 93 HG1 GLN 93 -16.308 6.801 1.583 748 HE21 GLN 93 HE21 GLN 93 -16.939 8.385 3.920 749 HE22 GLN 93 HE22 GLN 93 -17.237 7.288 5.211 750 H SER 94 HN SER 94 -13.996 4.935 -0.749 751 HA SER 94 HA SER 94 -16.732 4.680 -1.533 752 HB2 SER 94 HB2 SER 94 -15.065 5.988 -2.832 753 HB3 SER 94 HB1 SER 94 -14.178 4.505 -3.161 754 HG SER 94 HG SER 94 -16.750 5.260 -4.030 755 H TYR 95 HN TYR 95 -13.838 2.649 -1.685 756 HA TYR 95 HA TYR 95 -15.339 0.372 -2.660 757 HB2 TYR 95 HB2 TYR 95 -12.418 0.500 -1.871 758 HB3 TYR 95 HB1 TYR 95 -13.229 -0.771 -2.769 759 HD1 TYR 95 HD2 TYR 95 -14.169 -0.244 -5.090 760 HD2 TYR 95 HD1 TYR 95 -11.538 2.366 -3.012 761 HE1 TYR 95 HE2 TYR 95 -13.637 0.924 -7.194 762 HE2 TYR 95 HE1 TYR 95 -11.016 3.511 -5.122 763 HH TYR 95 HH TYR 95 -11.089 3.250 -7.384 764 H GLN 96 HN GLN 96 -16.788 0.089 -1.144 765 HA GLN 96 HA GLN 96 -15.996 -1.740 0.938 766 HB2 GLN 96 HB2 GLN 96 -17.575 0.787 1.510 767 HB3 GLN 96 HB1 GLN 96 -17.578 -0.603 2.580 768 HG2 GLN 96 HG2 GLN 96 -15.218 -0.349 2.977 769 HG3 GLN 96 HG1 GLN 96 -15.136 0.959 1.805 770 HE21 GLN 96 HE21 GLN 96 -14.381 2.367 3.258 771 HE22 GLN 96 HE22 GLN 96 -15.331 3.064 4.539 772 HA PRO 97 HA PRO 97 -19.758 -3.063 -1.320 773 HB2 PRO 97 HB2 PRO 97 -19.275 -5.703 -1.201 774 HB3 PRO 97 HB1 PRO 97 -18.441 -4.673 -2.368 775 HG2 PRO 97 HG2 PRO 97 -17.485 -5.653 0.300 776 HG3 PRO 97 HG1 PRO 97 -16.619 -5.683 -1.238 777 HD2 PRO 97 HD2 PRO 97 -16.193 -3.780 0.624 778 HD3 PRO 97 HD1 PRO 97 -16.109 -3.409 -1.112 779 H ARG 98 HN ARG 98 -18.391 -3.996 1.707 780 HA ARG 98 HA ARG 98 -20.862 -4.190 3.087 781 HB2 ARG 98 HB2 ARG 98 -20.554 -6.551 3.777 782 HB3 ARG 98 HB1 ARG 98 -20.835 -6.424 2.046 783 HG2 ARG 98 HG2 ARG 98 -18.436 -6.709 1.626 784 HG3 ARG 98 HG1 ARG 98 -18.141 -6.818 3.361 785 HD2 ARG 98 HD2 ARG 98 -18.192 -9.027 2.317 786 HD3 ARG 98 HD1 ARG 98 -19.519 -8.842 3.462 787 HE ARG 98 HE ARG 98 -20.367 -8.097 0.891 788 HH11 ARG 98 HH11 ARG 98 -19.449 -11.032 2.617 789 HH12 ARG 98 HH12 ARG 98 -20.592 -12.018 1.829 790 HH21 ARG 98 HH21 ARG 98 -21.857 -9.411 -0.205 791 HH22 ARG 98 HH22 ARG 98 -21.982 -11.084 0.129 792 H THR 99 HN THR 99 -20.303 -4.707 5.383 793 HA THR 99 HA THR 99 -17.654 -3.703 6.063 794 HB THR 99 HB THR 99 -19.972 -4.441 7.871 795 HG1 THR 99 HG1 THR 99 -19.341 -2.096 6.453 796 HG21 THR 99 HG21 THR 99 -17.784 -4.348 8.988 797 HG22 THR 99 HG22 THR 99 -18.830 -3.037 9.520 798 HG23 THR 99 HG23 THR 99 -17.535 -2.716 8.368 799 H SER 100 HN SER 100 -19.835 -6.431 6.764 800 HA SER 100 HA SER 100 -17.602 -8.199 6.977 801 HB2 SER 100 HB2 SER 100 -18.503 -9.025 9.213 802 HB3 SER 100 HB1 SER 100 -17.696 -7.454 9.250 803 HG SER 100 HG SER 100 -20.453 -7.786 8.904 Start of MODEL 11 1 H1 GLY -1 HT1 GLY -1 -4.920 -10.205 -3.004 2 H2 GLY -1 HT2 GLY -1 -6.296 -10.584 -3.931 3 H3 GLY -1 HT3 GLY -1 -5.276 -11.796 -3.447 4 HA2 GLY -1 HA1 GLY -1 -5.855 -11.493 -1.156 5 HA3 GLY -1 HA2 GLY -1 -6.883 -10.138 -1.619 6 H SER 0 HN SER 0 -7.623 -12.673 -0.306 7 HA SER 0 HA SER 0 -8.954 -14.290 -2.194 8 HB2 SER 0 HB2 SER 0 -9.431 -13.975 0.779 9 HB3 SER 0 HB1 SER 0 -9.877 -15.364 -0.225 10 HG SER 0 HG SER 0 -7.999 -16.101 0.182 11 H MET 1 HN MET 1 -10.457 -13.395 -3.424 12 HA MET 1 HA MET 1 -12.154 -12.225 -4.228 13 HB2 MET 1 HB2 MET 1 -13.341 -12.651 -1.479 14 HB3 MET 1 HB1 MET 1 -14.228 -11.962 -2.827 15 HG2 MET 1 HG2 MET 1 -13.858 -14.059 -4.081 16 HG3 MET 1 HG1 MET 1 -13.073 -14.734 -2.656 17 HE1 MET 1 HE1 MET 1 -15.442 -16.201 -4.082 18 HE2 MET 1 HE2 MET 1 -16.452 -16.674 -2.717 19 HE3 MET 1 HE3 MET 1 -14.699 -16.811 -2.601 20 HA PRO 2 HA PRO 2 -10.895 -8.257 -2.508 21 HB2 PRO 2 HB2 PRO 2 -9.453 -7.359 -4.582 22 HB3 PRO 2 HB1 PRO 2 -8.786 -8.506 -3.416 23 HG2 PRO 2 HG2 PRO 2 -9.680 -8.977 -6.203 24 HG3 PRO 2 HG1 PRO 2 -8.449 -9.826 -5.258 25 HD2 PRO 2 HD2 PRO 2 -11.141 -10.653 -5.713 26 HD3 PRO 2 HD1 PRO 2 -9.946 -11.404 -4.641 27 H PHE 3 HN PHE 3 -12.347 -6.684 -2.612 28 HA PHE 3 HA PHE 3 -13.646 -6.227 -5.209 29 HB2 PHE 3 HB2 PHE 3 -15.223 -7.163 -3.520 30 HB3 PHE 3 HB1 PHE 3 -14.857 -5.803 -2.467 31 HD1 PHE 3 HD1 PHE 3 -16.266 -6.631 -5.804 32 HD2 PHE 3 HD2 PHE 3 -16.090 -3.826 -2.609 33 HE1 PHE 3 HE1 PHE 3 -18.071 -5.335 -6.847 34 HE2 PHE 3 HE2 PHE 3 -17.891 -2.523 -3.651 35 HZ PHE 3 HZ PHE 3 -18.884 -3.278 -5.776 36 H ALA 4 HN ALA 4 -13.420 -4.490 -2.143 37 HA ALA 4 HA ALA 4 -13.190 -2.007 -3.579 38 HB1 ALA 4 HB1 ALA 4 -13.321 -0.964 -1.393 39 HB2 ALA 4 HB2 ALA 4 -13.126 -2.529 -0.604 40 HB3 ALA 4 HB3 ALA 4 -14.566 -2.178 -1.561 41 H GLU 5 HN GLU 5 -11.175 -4.255 -1.963 42 HA GLU 5 HA GLU 5 -8.872 -2.666 -1.595 43 HB2 GLU 5 HB2 GLU 5 -8.771 -5.614 -2.248 44 HB3 GLU 5 HB1 GLU 5 -7.666 -4.687 -1.250 45 HG2 GLU 5 HG2 GLU 5 -8.814 -5.885 0.339 46 HG3 GLU 5 HG1 GLU 5 -9.750 -4.404 0.289 47 H ASP 6 HN ASP 6 -10.122 -4.573 -4.235 48 HA ASP 6 HA ASP 6 -7.862 -4.402 -5.965 49 HB2 ASP 6 HB2 ASP 6 -9.623 -6.116 -6.249 50 HB3 ASP 6 HB1 ASP 6 -10.777 -4.849 -6.657 51 H LYS 7 HN LYS 7 -10.901 -2.676 -5.705 52 HA LYS 7 HA LYS 7 -10.557 -0.824 -7.766 53 HB2 LYS 7 HB2 LYS 7 -12.003 -0.461 -5.137 54 HB3 LYS 7 HB1 LYS 7 -12.193 0.581 -6.533 55 HG2 LYS 7 HG2 LYS 7 -12.895 -2.356 -6.442 56 HG3 LYS 7 HG1 LYS 7 -14.041 -1.034 -6.267 57 HD2 LYS 7 HD2 LYS 7 -12.321 -1.503 -8.709 58 HD3 LYS 7 HD1 LYS 7 -13.992 -2.037 -8.544 59 HE2 LYS 7 HE2 LYS 7 -14.720 0.256 -8.271 60 HE3 LYS 7 HE1 LYS 7 -13.062 0.831 -8.382 61 HZ1 LYS 7 HZ1 LYS 7 -14.645 -0.494 -10.527 62 HZ2 LYS 7 HZ2 LYS 7 -13.020 -0.083 -10.679 63 HZ3 LYS 7 HZ3 LYS 7 -14.179 1.112 -10.470 64 H THR 8 HN THR 8 -9.549 -0.725 -4.390 65 HA THR 8 HA THR 8 -8.462 1.863 -4.472 66 HB THR 8 HB THR 8 -7.762 -0.445 -2.623 67 HG1 THR 8 HG1 THR 8 -9.940 0.035 -2.430 68 HG21 THR 8 HG21 THR 8 -7.029 1.313 -1.056 69 HG22 THR 8 HG22 THR 8 -7.389 2.544 -2.268 70 HG23 THR 8 HG23 THR 8 -6.096 1.380 -2.551 71 H TYR 9 HN TYR 9 -6.989 -1.367 -4.906 72 HA TYR 9 HA TYR 9 -4.346 -0.607 -5.249 73 HB2 TYR 9 HB2 TYR 9 -4.873 -2.949 -5.069 74 HB3 TYR 9 HB1 TYR 9 -5.897 -2.889 -6.496 75 HD1 TYR 9 HD1 TYR 9 -2.327 -2.508 -5.419 76 HD2 TYR 9 HD2 TYR 9 -5.012 -3.455 -8.587 77 HE1 TYR 9 HE1 TYR 9 -0.423 -3.197 -6.834 78 HE2 TYR 9 HE2 TYR 9 -3.121 -4.139 -9.994 79 HH TYR 9 HH TYR 9 0.015 -4.644 -8.807 80 H LYS 10 HN LYS 10 -6.836 -0.943 -7.752 81 HA LYS 10 HA LYS 10 -5.164 -0.081 -9.855 82 HB2 LYS 10 HB2 LYS 10 -8.168 -0.190 -9.631 83 HB3 LYS 10 HB1 LYS 10 -7.337 0.299 -11.100 84 HG2 LYS 10 HG2 LYS 10 -6.252 -1.884 -11.229 85 HG3 LYS 10 HG1 LYS 10 -7.053 -2.374 -9.733 86 HD2 LYS 10 HD2 LYS 10 -9.219 -2.189 -10.780 87 HD3 LYS 10 HD1 LYS 10 -8.495 -1.532 -12.246 88 HE2 LYS 10 HE2 LYS 10 -9.086 -3.906 -12.495 89 HE3 LYS 10 HE1 LYS 10 -7.355 -3.637 -12.660 90 HZ1 LYS 10 HZ1 LYS 10 -7.017 -4.484 -10.449 91 HZ2 LYS 10 HZ2 LYS 10 -7.943 -5.592 -11.288 92 HZ3 LYS 10 HZ3 LYS 10 -8.670 -4.590 -10.159 93 H TYR 11 HN TYR 11 -7.161 1.646 -7.605 94 HA TYR 11 HA TYR 11 -7.256 4.150 -8.926 95 HB2 TYR 11 HB2 TYR 11 -8.506 3.240 -6.760 96 HB3 TYR 11 HB1 TYR 11 -7.112 3.906 -5.963 97 HD1 TYR 11 HD1 TYR 11 -6.631 6.330 -6.005 98 HD2 TYR 11 HD2 TYR 11 -10.179 4.706 -7.687 99 HE1 TYR 11 HE1 TYR 11 -7.654 8.565 -5.995 100 HE2 TYR 11 HE2 TYR 11 -11.203 6.920 -7.686 101 HH TYR 11 HH TYR 11 -11.003 8.990 -6.586 102 H ILE 12 HN ILE 12 -5.110 2.694 -6.593 103 HA ILE 12 HA ILE 12 -3.433 4.974 -6.327 104 HB ILE 12 HB ILE 12 -2.973 2.087 -5.505 105 HG12 ILE 12 HG12 ILE 12 -4.955 3.079 -4.473 106 HG13 ILE 12 HG11 ILE 12 -3.696 2.799 -3.262 107 HG21 ILE 12 HG21 ILE 12 -1.517 4.568 -4.604 108 HG22 ILE 12 HG22 ILE 12 -0.858 3.290 -5.628 109 HG23 ILE 12 HG23 ILE 12 -1.299 2.941 -3.953 110 HD11 ILE 12 HD11 ILE 12 -4.476 5.433 -4.516 111 HD12 ILE 12 HD12 ILE 12 -3.156 5.211 -3.370 112 HD13 ILE 12 HD13 ILE 12 -4.818 4.903 -2.868 113 H CYS 13 HN CYS 13 -3.419 2.162 -8.413 114 HA CYS 13 HA CYS 13 -0.818 2.515 -9.463 115 HB2 CYS 13 HB2 CYS 13 -3.281 1.396 -10.830 116 HB3 CYS 13 HB1 CYS 13 -1.632 1.226 -11.422 117 HG CYS 13 HG CYS 13 -2.758 -0.021 -8.461 118 H ARG 14 HN ARG 14 -3.848 4.089 -10.060 119 HA ARG 14 HA ARG 14 -3.277 5.426 -12.485 120 HB2 ARG 14 HB2 ARG 14 -5.018 6.369 -10.204 121 HB3 ARG 14 HB1 ARG 14 -4.985 7.032 -11.823 122 HG2 ARG 14 HG2 ARG 14 -5.888 4.956 -12.709 123 HG3 ARG 14 HG1 ARG 14 -5.826 4.270 -11.071 124 HD2 ARG 14 HD2 ARG 14 -8.100 5.080 -11.684 125 HD3 ARG 14 HD1 ARG 14 -7.423 5.857 -10.261 126 HE ARG 14 HE ARG 14 -6.728 7.528 -12.292 127 HH11 ARG 14 HH11 ARG 14 -9.883 6.256 -11.246 128 HH12 ARG 14 HH12 ARG 14 -10.724 7.660 -11.684 129 HH21 ARG 14 HH21 ARG 14 -7.912 9.423 -12.901 130 HH22 ARG 14 HH22 ARG 14 -9.592 9.492 -12.650 131 H ASN 15 HN ASN 15 -2.473 6.082 -9.156 132 HA ASN 15 HA ASN 15 -1.269 8.621 -9.987 133 HB2 ASN 15 HB2 ASN 15 -2.162 9.748 -8.064 134 HB3 ASN 15 HB1 ASN 15 -3.456 8.715 -8.668 135 HD21 ASN 15 HD21 ASN 15 -3.999 6.803 -7.532 136 HD22 ASN 15 HD22 ASN 15 -3.555 6.694 -5.866 137 H PHE 16 HN PHE 16 -0.277 6.022 -9.784 138 HA PHE 16 HA PHE 16 1.333 5.353 -7.631 139 HB2 PHE 16 HB2 PHE 16 0.906 3.942 -9.638 140 HB3 PHE 16 HB1 PHE 16 1.988 4.967 -10.560 141 HD1 PHE 16 HD1 PHE 16 1.771 2.494 -7.852 142 HD2 PHE 16 HD2 PHE 16 4.363 4.678 -10.426 143 HE1 PHE 16 HE1 PHE 16 3.634 1.017 -7.224 144 HE2 PHE 16 HE2 PHE 16 6.233 3.207 -9.796 145 HZ PHE 16 HZ PHE 16 5.869 1.374 -8.196 146 H SER 17 HN SER 17 1.914 7.746 -10.143 147 HA SER 17 HA SER 17 4.658 8.163 -9.545 148 HB2 SER 17 HB2 SER 17 3.623 8.766 -11.715 149 HB3 SER 17 HB1 SER 17 2.705 10.043 -10.919 150 HG SER 17 HG SER 17 4.409 11.097 -11.606 151 H ASN 18 HN ASN 18 1.664 9.560 -8.383 152 HA ASN 18 HA ASN 18 2.598 11.697 -6.822 153 HB2 ASN 18 HB2 ASN 18 0.230 11.353 -7.263 154 HB3 ASN 18 HB1 ASN 18 0.270 9.798 -6.455 155 HD21 ASN 18 HD21 ASN 18 -1.218 10.204 -4.991 156 HD22 ASN 18 HD22 ASN 18 -1.123 11.369 -3.722 157 H PHE 19 HN PHE 19 2.226 8.274 -6.188 158 HA PHE 19 HA PHE 19 3.103 8.417 -3.492 159 HB2 PHE 19 HB2 PHE 19 2.372 6.174 -5.310 160 HB3 PHE 19 HB1 PHE 19 3.261 5.827 -3.834 161 HD1 PHE 19 HD1 PHE 19 0.142 7.271 -5.166 162 HD2 PHE 19 HD2 PHE 19 2.220 5.853 -1.744 163 HE1 PHE 19 HE1 PHE 19 -1.946 7.333 -3.872 164 HE2 PHE 19 HE2 PHE 19 0.136 5.912 -0.443 165 HZ PHE 19 HZ PHE 19 -1.950 6.657 -1.513 166 H CYS 20 HN CYS 20 4.943 8.835 -6.163 167 HA CYS 20 HA CYS 20 7.164 7.190 -5.476 168 HB2 CYS 20 HB2 CYS 20 6.946 8.217 -7.724 169 HB3 CYS 20 HB1 CYS 20 7.152 9.806 -6.998 170 HG CYS 20 HG CYS 20 9.735 8.933 -5.963 171 H ASN 21 HN ASN 21 5.845 10.002 -4.165 172 HA ASN 21 HA ASN 21 8.235 10.617 -2.557 173 HB2 ASN 21 HB2 ASN 21 7.037 12.509 -3.767 174 HB3 ASN 21 HB1 ASN 21 5.645 12.170 -2.739 175 HD21 ASN 21 HD21 ASN 21 5.769 12.643 -0.578 176 HD22 ASN 21 HD22 ASN 21 7.027 13.603 0.112 177 H VAL 22 HN VAL 22 7.703 8.464 -1.791 178 HA VAL 22 HA VAL 22 6.042 8.745 0.613 179 HB VAL 22 HB VAL 22 4.939 7.297 -1.275 180 HG11 VAL 22 HG11 VAL 22 6.819 6.159 -1.995 181 HG12 VAL 22 HG12 VAL 22 5.539 5.070 -1.454 182 HG13 VAL 22 HG13 VAL 22 6.976 5.324 -0.438 183 HG21 VAL 22 HG21 VAL 22 4.115 7.265 1.015 184 HG22 VAL 22 HG22 VAL 22 5.330 6.057 1.432 185 HG23 VAL 22 HG23 VAL 22 4.051 5.661 0.285 186 H ASP 23 HN ASP 23 6.703 7.267 2.316 187 HA ASP 23 HA ASP 23 9.563 6.591 2.211 188 HB2 ASP 23 HB2 ASP 23 8.685 8.207 4.011 189 HB3 ASP 23 HB1 ASP 23 7.855 6.819 4.694 190 H VAL 24 HN VAL 24 9.606 4.537 1.565 191 HA VAL 24 HA VAL 24 7.426 2.738 2.023 192 HB VAL 24 HB VAL 24 10.151 2.051 0.916 193 HG11 VAL 24 HG11 VAL 24 8.782 0.108 1.493 194 HG12 VAL 24 HG12 VAL 24 8.958 0.293 -0.262 195 HG13 VAL 24 HG13 VAL 24 7.459 0.777 0.522 196 HG21 VAL 24 HG21 VAL 24 9.231 2.476 -1.284 197 HG22 VAL 24 HG22 VAL 24 9.163 3.939 -0.290 198 HG23 VAL 24 HG23 VAL 24 7.708 2.981 -0.560 199 H VAL 25 HN VAL 25 10.598 3.161 3.448 200 HA VAL 25 HA VAL 25 10.566 0.577 4.670 201 HB VAL 25 HB VAL 25 12.544 1.090 5.809 202 HG11 VAL 25 HG11 VAL 25 12.616 2.125 2.978 203 HG12 VAL 25 HG12 VAL 25 12.791 0.458 3.497 204 HG13 VAL 25 HG13 VAL 25 14.043 1.642 3.890 205 HG21 VAL 25 HG21 VAL 25 13.716 3.317 5.584 206 HG22 VAL 25 HG22 VAL 25 12.280 3.310 6.598 207 HG23 VAL 25 HG23 VAL 25 12.192 3.976 4.977 208 H GLU 26 HN GLU 26 9.649 3.715 5.699 209 HA GLU 26 HA GLU 26 9.367 2.980 8.437 210 HB2 GLU 26 HB2 GLU 26 9.497 5.347 7.295 211 HB3 GLU 26 HB1 GLU 26 7.743 5.180 7.264 212 HG2 GLU 26 HG2 GLU 26 8.382 6.363 9.244 213 HG3 GLU 26 HG1 GLU 26 7.784 4.765 9.698 214 H ILE 27 HN ILE 27 7.399 2.683 5.638 215 HA ILE 27 HA ILE 27 4.846 2.265 6.875 216 HB ILE 27 HB ILE 27 6.018 1.604 4.165 217 HG12 ILE 27 HG12 ILE 27 3.881 3.580 4.973 218 HG13 ILE 27 HG11 ILE 27 5.570 3.961 4.662 219 HG21 ILE 27 HG21 ILE 27 4.393 -0.131 4.574 220 HG22 ILE 27 HG22 ILE 27 3.809 0.984 3.339 221 HG23 ILE 27 HG23 ILE 27 3.173 1.078 4.980 222 HD11 ILE 27 HD11 ILE 27 4.151 4.539 2.774 223 HD12 ILE 27 HD12 ILE 27 3.621 2.858 2.647 224 HD13 ILE 27 HD13 ILE 27 5.313 3.283 2.352 225 H LEU 28 HN LEU 28 7.520 0.197 6.134 226 HA LEU 28 HA LEU 28 6.330 -2.279 6.118 227 HB2 LEU 28 HB2 LEU 28 9.070 -1.681 7.222 228 HB3 LEU 28 HB1 LEU 28 8.508 -3.229 6.625 229 HG LEU 28 HG LEU 28 8.891 -0.731 4.985 230 HD11 LEU 28 HD11 LEU 28 10.989 -1.709 5.668 231 HD12 LEU 28 HD12 LEU 28 10.719 -1.963 3.944 232 HD13 LEU 28 HD13 LEU 28 10.466 -3.289 5.082 233 HD21 LEU 28 HD21 LEU 28 7.058 -2.070 4.115 234 HD22 LEU 28 HD22 LEU 28 8.077 -3.509 4.144 235 HD23 LEU 28 HD23 LEU 28 8.460 -2.179 3.054 236 HA PRO 29 HA PRO 29 6.725 -2.970 10.891 237 HB2 PRO 29 HB2 PRO 29 7.164 -0.876 12.544 238 HB3 PRO 29 HB1 PRO 29 8.490 -1.795 11.824 239 HG2 PRO 29 HG2 PRO 29 7.302 0.808 10.939 240 HG3 PRO 29 HG1 PRO 29 9.011 0.365 11.116 241 HD2 PRO 29 HD2 PRO 29 7.777 0.360 8.717 242 HD3 PRO 29 HD1 PRO 29 9.035 -0.825 9.134 243 H TYR 30 HN TYR 30 5.030 -0.558 9.309 244 HA TYR 30 HA TYR 30 3.045 -0.263 11.385 245 HB2 TYR 30 HB2 TYR 30 3.667 1.125 8.859 246 HB3 TYR 30 HB1 TYR 30 2.016 1.247 9.389 247 HD1 TYR 30 HD2 TYR 30 1.659 2.127 11.792 248 HD2 TYR 30 HD1 TYR 30 5.332 2.491 9.716 249 HE1 TYR 30 HE2 TYR 30 2.330 3.927 13.314 250 HE2 TYR 30 HE1 TYR 30 6.028 4.294 11.229 251 HH TYR 30 HH TYR 30 4.893 5.995 12.696 252 H LEU 31 HN LEU 31 3.669 -2.228 8.731 253 HA LEU 31 HA LEU 31 0.875 -3.071 8.614 254 HB2 LEU 31 HB2 LEU 31 3.138 -3.347 6.641 255 HB3 LEU 31 HB1 LEU 31 1.694 -4.318 6.528 256 HG LEU 31 HG LEU 31 0.342 -2.271 6.112 257 HD11 LEU 31 HD11 LEU 31 1.541 -0.692 7.404 258 HD12 LEU 31 HD12 LEU 31 1.359 -0.159 5.729 259 HD13 LEU 31 HD13 LEU 31 2.905 -0.793 6.295 260 HD21 LEU 31 HD21 LEU 31 1.259 -1.704 3.937 261 HD22 LEU 31 HD22 LEU 31 1.334 -3.445 4.224 262 HD23 LEU 31 HD23 LEU 31 2.785 -2.453 4.394 263 HA PRO 32 HA PRO 32 2.922 -6.423 10.901 264 HB2 PRO 32 HB2 PRO 32 1.088 -6.782 12.773 265 HB3 PRO 32 HB1 PRO 32 2.100 -5.332 12.764 266 HG2 PRO 32 HG2 PRO 32 -0.739 -5.658 11.886 267 HG3 PRO 32 HG1 PRO 32 0.012 -4.325 12.777 268 HD2 PRO 32 HD2 PRO 32 -0.466 -4.378 10.029 269 HD3 PRO 32 HD1 PRO 32 0.647 -3.276 10.861 270 H CYS 33 HN CYS 33 0.478 -6.494 8.756 271 HA CYS 33 HA CYS 33 -0.332 -9.241 9.399 272 HB2 CYS 33 HB2 CYS 33 -1.604 -7.260 7.521 273 HB3 CYS 33 HB1 CYS 33 -2.197 -8.890 7.837 274 HG CYS 33 HG CYS 33 -3.815 -7.960 9.556 275 H LEU 34 HN LEU 34 2.069 -7.997 7.792 276 HA LEU 34 HA LEU 34 1.845 -9.989 5.672 277 HB2 LEU 34 HB2 LEU 34 3.298 -7.376 5.612 278 HB3 LEU 34 HB1 LEU 34 3.605 -8.670 4.474 279 HG LEU 34 HG LEU 34 0.993 -8.486 4.153 280 HD11 LEU 34 HD11 LEU 34 0.622 -6.746 5.774 281 HD12 LEU 34 HD12 LEU 34 0.239 -6.183 4.145 282 HD13 LEU 34 HD13 LEU 34 1.743 -5.686 4.915 283 HD21 LEU 34 HD21 LEU 34 2.670 -8.396 2.491 284 HD22 LEU 34 HD22 LEU 34 3.032 -6.706 2.872 285 HD23 LEU 34 HD23 LEU 34 1.454 -7.163 2.199 286 H THR 35 HN THR 35 3.734 -11.174 5.154 287 HA THR 35 HA THR 35 5.035 -11.947 7.520 288 HB THR 35 HB THR 35 5.815 -12.792 4.797 289 HG1 THR 35 HG1 THR 35 3.450 -13.721 6.140 290 HG21 THR 35 HG21 THR 35 6.794 -13.833 6.751 291 HG22 THR 35 HG22 THR 35 5.761 -14.995 5.887 292 HG23 THR 35 HG23 THR 35 5.175 -14.199 7.358 293 H ALA 36 HN ALA 36 7.345 -12.017 7.684 294 HA ALA 36 HA ALA 36 8.694 -9.605 7.179 295 HB1 ALA 36 HB1 ALA 36 10.674 -10.786 8.000 296 HB2 ALA 36 HB2 ALA 36 9.796 -12.314 7.844 297 HB3 ALA 36 HB3 ALA 36 9.260 -11.107 9.014 298 H ARG 37 HN ARG 37 8.555 -12.630 5.521 299 HA ARG 37 HA ARG 37 10.691 -12.499 3.749 300 HB2 ARG 37 HB2 ARG 37 7.951 -13.577 3.103 301 HB3 ARG 37 HB1 ARG 37 9.505 -14.119 2.493 302 HG2 ARG 37 HG2 ARG 37 10.089 -15.056 4.609 303 HG3 ARG 37 HG1 ARG 37 8.646 -14.397 5.369 304 HD2 ARG 37 HD2 ARG 37 7.308 -15.734 3.699 305 HD3 ARG 37 HD1 ARG 37 8.819 -16.541 3.280 306 HE ARG 37 HE ARG 37 8.616 -16.705 6.009 307 HH11 ARG 37 HH11 ARG 37 6.589 -17.772 3.273 308 HH12 ARG 37 HH12 ARG 37 5.961 -19.112 4.086 309 HH21 ARG 37 HH21 ARG 37 7.665 -18.559 7.137 310 HH22 ARG 37 HH22 ARG 37 6.571 -19.556 6.304 311 H ASP 38 HN ASP 38 7.583 -11.015 3.756 312 HA ASP 38 HA ASP 38 7.600 -10.068 1.036 313 HB2 ASP 38 HB2 ASP 38 5.741 -9.832 3.370 314 HB3 ASP 38 HB1 ASP 38 5.361 -9.019 1.882 315 H GLN 39 HN GLN 39 7.371 -8.594 4.254 316 HA GLN 39 HA GLN 39 7.651 -5.973 3.186 317 HB2 GLN 39 HB2 GLN 39 7.550 -6.924 6.023 318 HB3 GLN 39 HB1 GLN 39 7.588 -5.230 5.550 319 HG2 GLN 39 HG2 GLN 39 5.465 -7.230 4.804 320 HG3 GLN 39 HG1 GLN 39 5.345 -5.963 6.025 321 HE21 GLN 39 HE21 GLN 39 5.404 -6.641 2.591 322 HE22 GLN 39 HE22 GLN 39 4.844 -5.087 2.106 323 H ASP 40 HN ASP 40 9.868 -8.143 4.879 324 HA ASP 40 HA ASP 40 11.776 -6.104 5.472 325 HB2 ASP 40 HB2 ASP 40 11.562 -8.281 6.664 326 HB3 ASP 40 HB1 ASP 40 12.251 -9.067 5.267 327 H ARG 41 HN ARG 41 11.267 -8.318 2.879 328 HA ARG 41 HA ARG 41 13.694 -7.967 1.546 329 HB2 ARG 41 HB2 ARG 41 12.054 -9.753 1.119 330 HB3 ARG 41 HB1 ARG 41 10.975 -8.576 0.402 331 HG2 ARG 41 HG2 ARG 41 12.182 -9.958 -1.172 332 HG3 ARG 41 HG1 ARG 41 12.460 -8.231 -1.443 333 HD2 ARG 41 HD2 ARG 41 14.539 -9.595 -1.648 334 HD3 ARG 41 HD1 ARG 41 14.639 -8.381 -0.376 335 HE ARG 41 HE ARG 41 13.757 -10.962 0.505 336 HH11 ARG 41 HH11 ARG 41 16.652 -9.059 -0.212 337 HH12 ARG 41 HH12 ARG 41 17.628 -9.810 0.956 338 HH21 ARG 41 HH21 ARG 41 15.123 -12.004 2.138 339 HH22 ARG 41 HH22 ARG 41 16.746 -11.497 2.319 340 H LEU 42 HN LEU 42 10.824 -5.998 1.705 341 HA LEU 42 HA LEU 42 11.384 -4.300 -0.496 342 HB2 LEU 42 HB2 LEU 42 9.770 -3.867 2.008 343 HB3 LEU 42 HB1 LEU 42 9.808 -2.744 0.665 344 HG LEU 42 HG LEU 42 8.873 -5.601 0.385 345 HD11 LEU 42 HD11 LEU 42 6.631 -4.724 0.464 346 HD12 LEU 42 HD12 LEU 42 7.250 -3.094 0.717 347 HD13 LEU 42 HD13 LEU 42 7.460 -4.316 1.968 348 HD21 LEU 42 HD21 LEU 42 7.890 -4.768 -1.656 349 HD22 LEU 42 HD22 LEU 42 9.627 -4.477 -1.663 350 HD23 LEU 42 HD23 LEU 42 8.500 -3.157 -1.322 351 H ARG 43 HN ARG 43 12.494 -4.477 2.776 352 HA ARG 43 HA ARG 43 13.629 -1.831 2.820 353 HB2 ARG 43 HB2 ARG 43 12.864 -2.988 4.882 354 HB3 ARG 43 HB1 ARG 43 14.092 -4.217 4.633 355 HG2 ARG 43 HG2 ARG 43 15.834 -2.548 4.938 356 HG3 ARG 43 HG1 ARG 43 14.603 -1.304 5.163 357 HD2 ARG 43 HD2 ARG 43 15.493 -2.090 7.289 358 HD3 ARG 43 HD1 ARG 43 13.778 -2.444 7.137 359 HE ARG 43 HE ARG 43 14.459 -4.760 6.569 360 HH11 ARG 43 HH11 ARG 43 16.773 -2.753 8.369 361 HH12 ARG 43 HH12 ARG 43 17.496 -4.093 9.135 362 HH21 ARG 43 HH21 ARG 43 15.375 -6.476 7.608 363 HH22 ARG 43 HH22 ARG 43 16.704 -6.311 8.681 364 H ALA 44 HN ALA 44 14.517 -4.884 1.622 365 HA ALA 44 HA ALA 44 17.313 -4.216 1.432 366 HB1 ALA 44 HB1 ALA 44 17.479 -6.269 0.068 367 HB2 ALA 44 HB2 ALA 44 15.721 -6.418 0.098 368 HB3 ALA 44 HB3 ALA 44 16.645 -6.578 1.592 369 H THR 45 HN THR 45 14.593 -4.648 -0.828 370 HA THR 45 HA THR 45 15.758 -3.769 -3.163 371 HB THR 45 HB THR 45 12.864 -3.392 -2.360 372 HG1 THR 45 HG1 THR 45 14.223 -5.705 -3.332 373 HG21 THR 45 HG21 THR 45 14.169 -3.968 -5.035 374 HG22 THR 45 HG22 THR 45 13.487 -2.421 -4.541 375 HG23 THR 45 HG23 THR 45 12.435 -3.821 -4.751 376 H CYS 46 HN CYS 46 14.326 -1.806 -0.513 377 HA CYS 46 HA CYS 46 13.678 0.483 -1.735 378 HB2 CYS 46 HB2 CYS 46 13.789 1.471 0.448 379 HB3 CYS 46 HB1 CYS 46 13.307 -0.192 0.621 380 HG CYS 46 HG CYS 46 15.567 -1.073 1.888 381 H THR 47 HN THR 47 16.847 -0.216 -0.363 382 HA THR 47 HA THR 47 17.920 2.242 -1.481 383 HB THR 47 HB THR 47 18.400 1.693 0.872 384 HG1 THR 47 HG1 THR 47 20.564 1.777 -0.934 385 HG21 THR 47 HG21 THR 47 18.440 -0.753 0.731 386 HG22 THR 47 HG22 THR 47 19.939 -0.158 1.446 387 HG23 THR 47 HG23 THR 47 19.912 -0.685 -0.236 388 H LEU 48 HN LEU 48 17.342 -0.573 -2.809 389 HA LEU 48 HA LEU 48 19.932 -0.781 -4.180 390 HB2 LEU 48 HB2 LEU 48 17.666 -2.751 -3.985 391 HB3 LEU 48 HB1 LEU 48 19.064 -2.995 -4.998 392 HG LEU 48 HG LEU 48 19.021 -2.854 -1.986 393 HD11 LEU 48 HD11 LEU 48 18.135 -4.919 -2.875 394 HD12 LEU 48 HD12 LEU 48 19.709 -5.193 -2.126 395 HD13 LEU 48 HD13 LEU 48 19.567 -5.124 -3.884 396 HD21 LEU 48 HD21 LEU 48 21.406 -3.439 -2.113 397 HD22 LEU 48 HD22 LEU 48 21.078 -1.859 -2.808 398 HD23 LEU 48 HD23 LEU 48 21.352 -3.246 -3.866 399 H SER 49 HN SER 49 16.443 -0.675 -4.756 400 HA SER 49 HA SER 49 16.977 -0.069 -7.574 401 HB2 SER 49 HB2 SER 49 14.435 -1.011 -6.251 402 HB3 SER 49 HB1 SER 49 14.754 -0.897 -7.981 403 HG SER 49 HG SER 49 16.668 -2.339 -7.212 404 H GLY 50 HN GLY 50 16.116 1.476 -4.655 405 HA2 GLY 50 HA2 GLY 50 15.533 3.711 -4.454 406 HA3 GLY 50 HA1 GLY 50 14.936 3.697 -6.119 407 H ASN 51 HN ASN 51 13.420 4.665 -3.890 408 HA ASN 51 HA ASN 51 11.753 2.670 -2.885 409 HB2 ASN 51 HB2 ASN 51 10.357 4.328 -2.008 410 HB3 ASN 51 HB1 ASN 51 12.010 4.929 -1.844 411 HD21 ASN 51 HD21 ASN 51 9.395 6.300 -1.729 412 HD22 ASN 51 HD22 ASN 51 9.475 7.489 -2.984 413 H ARG 52 HN ARG 52 11.392 4.828 -5.480 414 HA ARG 52 HA ARG 52 8.902 4.463 -6.507 415 HB2 ARG 52 HB2 ARG 52 10.400 5.926 -7.626 416 HB3 ARG 52 HB1 ARG 52 11.497 4.610 -8.018 417 HG2 ARG 52 HG2 ARG 52 9.822 3.675 -9.544 418 HG3 ARG 52 HG1 ARG 52 8.732 5.007 -9.159 419 HD2 ARG 52 HD2 ARG 52 10.222 6.597 -10.110 420 HD3 ARG 52 HD1 ARG 52 11.491 5.382 -10.298 421 HE ARG 52 HE ARG 52 9.619 4.305 -11.758 422 HH11 ARG 52 HH11 ARG 52 10.613 7.726 -11.670 423 HH12 ARG 52 HH12 ARG 52 10.247 8.020 -13.297 424 HH21 ARG 52 HH21 ARG 52 9.133 4.732 -14.039 425 HH22 ARG 52 HH22 ARG 52 9.358 6.304 -14.665 426 H ASP 53 HN ASP 53 11.593 2.226 -7.205 427 HA ASP 53 HA ASP 53 9.845 0.489 -8.692 428 HB2 ASP 53 HB2 ASP 53 12.335 0.745 -9.145 429 HB3 ASP 53 HB1 ASP 53 12.616 -0.174 -7.672 430 H THR 54 HN THR 54 11.184 0.627 -5.480 431 HA THR 54 HA THR 54 10.485 -1.891 -4.504 432 HB THR 54 HB THR 54 10.649 0.748 -3.006 433 HG1 THR 54 HG1 THR 54 12.629 0.430 -3.933 434 HG21 THR 54 HG21 THR 54 11.019 -2.085 -1.987 435 HG22 THR 54 HG22 THR 54 9.602 -1.088 -1.692 436 HG23 THR 54 HG23 THR 54 11.166 -0.607 -1.031 437 H LEU 55 HN LEU 55 8.569 1.091 -4.792 438 HA LEU 55 HA LEU 55 6.276 0.501 -3.390 439 HB2 LEU 55 HB2 LEU 55 6.862 2.089 -5.798 440 HB3 LEU 55 HB1 LEU 55 5.193 1.634 -5.580 441 HG LEU 55 HG LEU 55 5.223 2.770 -3.367 442 HD11 LEU 55 HD11 LEU 55 7.572 2.653 -2.874 443 HD12 LEU 55 HD12 LEU 55 6.971 4.318 -2.865 444 HD13 LEU 55 HD13 LEU 55 7.919 3.731 -4.232 445 HD21 LEU 55 HD21 LEU 55 4.352 3.905 -5.297 446 HD22 LEU 55 HD22 LEU 55 5.988 4.393 -5.757 447 HD23 LEU 55 HD23 LEU 55 5.271 5.029 -4.282 448 H TRP 56 HN TRP 56 7.228 -0.675 -6.564 449 HA TRP 56 HA TRP 56 4.693 -1.730 -7.184 450 HB2 TRP 56 HB2 TRP 56 6.458 -1.178 -8.866 451 HB3 TRP 56 HB1 TRP 56 7.342 -2.610 -8.334 452 HD1 TRP 56 HD1 TRP 56 6.829 -4.723 -9.692 453 HE1 TRP 56 HE1 TRP 56 4.880 -5.527 -11.166 454 HE3 TRP 56 HE3 TRP 56 3.648 -0.779 -9.056 455 HZ2 TRP 56 HZ2 TRP 56 2.327 -4.613 -11.946 456 HZ3 TRP 56 HZ3 TRP 56 1.475 -0.817 -10.194 457 HH2 TRP 56 HH2 TRP 56 0.829 -2.687 -11.606 458 H HIS 57 HN HIS 57 7.495 -3.040 -5.572 459 HA HIS 57 HA HIS 57 6.400 -5.706 -5.462 460 HB2 HIS 57 HB2 HIS 57 8.871 -5.304 -5.494 461 HB3 HIS 57 HB1 HIS 57 8.749 -4.496 -3.942 462 HD1 HIS 57 HD1 HIS 57 10.464 -6.284 -2.945 463 HD2 HIS 57 HD2 HIS 57 6.879 -7.880 -4.330 464 HE1 HIS 57 HE1 HIS 57 10.342 -8.631 -2.050 465 H LEU 58 HN LEU 58 6.454 -2.852 -3.494 466 HA LEU 58 HA LEU 58 5.398 -3.816 -1.078 467 HB2 LEU 58 HB2 LEU 58 6.309 -1.567 -1.373 468 HB3 LEU 58 HB1 LEU 58 5.031 -1.163 -2.472 469 HG LEU 58 HG LEU 58 3.407 -1.460 -0.545 470 HD11 LEU 58 HD11 LEU 58 4.277 -1.303 1.713 471 HD12 LEU 58 HD12 LEU 58 5.921 -1.422 1.097 472 HD13 LEU 58 HD13 LEU 58 4.813 -2.785 0.922 473 HD21 LEU 58 HD21 LEU 58 5.497 0.704 -0.347 474 HD22 LEU 58 HD22 LEU 58 3.931 0.711 0.461 475 HD23 LEU 58 HD23 LEU 58 4.008 0.742 -1.302 476 H PHE 59 HN PHE 59 3.702 -2.249 -3.768 477 HA PHE 59 HA PHE 59 1.147 -2.927 -2.757 478 HB2 PHE 59 HB2 PHE 59 1.930 -1.996 -5.523 479 HB3 PHE 59 HB1 PHE 59 0.262 -2.241 -5.012 480 HD1 PHE 59 HD1 PHE 59 -0.474 -0.967 -2.877 481 HD2 PHE 59 HD2 PHE 59 2.918 0.081 -5.218 482 HE1 PHE 59 HE1 PHE 59 -0.534 1.308 -1.944 483 HE2 PHE 59 HE2 PHE 59 2.863 2.359 -4.282 484 HZ PHE 59 HZ PHE 59 1.139 2.970 -2.647 485 H ASN 60 HN ASN 60 3.352 -4.709 -4.681 486 HA ASN 60 HA ASN 60 1.438 -6.591 -5.666 487 HB2 ASN 60 HB2 ASN 60 3.588 -6.263 -6.817 488 HB3 ASN 60 HB1 ASN 60 4.443 -6.854 -5.400 489 HD21 ASN 60 HD21 ASN 60 2.442 -7.755 -8.134 490 HD22 ASN 60 HD22 ASN 60 2.780 -9.440 -8.027 491 H THR 61 HN THR 61 3.366 -6.344 -2.735 492 HA THR 61 HA THR 61 2.663 -9.033 -1.958 493 HB THR 61 HB THR 61 3.907 -8.421 0.187 494 HG1 THR 61 HG1 THR 61 4.958 -6.271 -1.291 495 HG21 THR 61 HG21 THR 61 6.120 -8.584 -0.871 496 HG22 THR 61 HG22 THR 61 5.397 -8.193 -2.432 497 HG23 THR 61 HG23 THR 61 4.969 -9.695 -1.613 498 H LEU 62 HN LEU 62 1.821 -5.739 -1.026 499 HA LEU 62 HA LEU 62 0.217 -6.178 1.179 500 HB2 LEU 62 HB2 LEU 62 0.414 -4.092 -0.895 501 HB3 LEU 62 HB1 LEU 62 -1.034 -4.104 0.085 502 HG LEU 62 HG LEU 62 0.238 -3.765 2.089 503 HD11 LEU 62 HD11 LEU 62 2.160 -5.114 1.609 504 HD12 LEU 62 HD12 LEU 62 2.654 -3.494 2.105 505 HD13 LEU 62 HD13 LEU 62 2.712 -3.956 0.398 506 HD21 LEU 62 HD21 LEU 62 1.193 -1.933 -0.097 507 HD22 LEU 62 HD22 LEU 62 1.236 -1.584 1.630 508 HD23 LEU 62 HD23 LEU 62 -0.310 -1.786 0.810 509 H GLN 63 HN GLN 63 -0.808 -6.059 -2.177 510 HA GLN 63 HA GLN 63 -3.557 -6.302 -1.826 511 HB2 GLN 63 HB2 GLN 63 -3.637 -7.069 -4.142 512 HB3 GLN 63 HB1 GLN 63 -2.551 -5.696 -3.941 513 HG2 GLN 63 HG2 GLN 63 -0.640 -7.155 -3.965 514 HG3 GLN 63 HG1 GLN 63 -1.679 -8.570 -4.073 515 HE21 GLN 63 HE21 GLN 63 -0.388 -5.852 -5.688 516 HE22 GLN 63 HE22 GLN 63 -0.765 -6.362 -7.299 517 H ARG 64 HN ARG 64 -1.236 -8.705 -1.252 518 HA ARG 64 HA ARG 64 -2.825 -10.995 -1.938 519 HB2 ARG 64 HB2 ARG 64 -0.390 -10.824 -0.150 520 HB3 ARG 64 HB1 ARG 64 -1.066 -12.294 -0.833 521 HG2 ARG 64 HG2 ARG 64 -0.485 -11.532 -3.068 522 HG3 ARG 64 HG1 ARG 64 0.132 -10.020 -2.400 523 HD2 ARG 64 HD2 ARG 64 1.731 -11.420 -1.032 524 HD3 ARG 64 HD1 ARG 64 1.220 -12.802 -2.002 525 HE ARG 64 HE ARG 64 1.920 -10.780 -3.742 526 HH11 ARG 64 HH11 ARG 64 3.535 -12.956 -1.440 527 HH12 ARG 64 HH12 ARG 64 5.069 -12.771 -2.150 528 HH21 ARG 64 HH21 ARG 64 4.087 -10.532 -4.698 529 HH22 ARG 64 HH22 ARG 64 5.375 -11.377 -3.989 530 H ARG 65 HN ARG 65 -2.418 -8.932 0.879 531 HA ARG 65 HA ARG 65 -3.897 -10.835 2.518 532 HB2 ARG 65 HB2 ARG 65 -2.220 -8.433 3.239 533 HB3 ARG 65 HB1 ARG 65 -3.267 -9.235 4.390 534 HG2 ARG 65 HG2 ARG 65 -1.054 -9.968 4.737 535 HG3 ARG 65 HG1 ARG 65 -1.934 -11.326 4.039 536 HD2 ARG 65 HD2 ARG 65 -0.901 -10.740 1.840 537 HD3 ARG 65 HD1 ARG 65 0.029 -9.481 2.659 538 HE ARG 65 HE ARG 65 0.330 -12.005 3.887 539 HH11 ARG 65 HH11 ARG 65 1.504 -10.084 1.108 540 HH12 ARG 65 HH12 ARG 65 3.035 -10.869 1.099 541 HH21 ARG 65 HH21 ARG 65 2.419 -13.017 3.816 542 HH22 ARG 65 HH22 ARG 65 3.575 -12.508 2.683 543 HA PRO 66 HA PRO 66 -7.431 -8.090 1.806 544 HB2 PRO 66 HB2 PRO 66 -8.703 -9.867 3.803 545 HB3 PRO 66 HB1 PRO 66 -9.219 -9.510 2.152 546 HG2 PRO 66 HG2 PRO 66 -8.199 -11.901 2.805 547 HG3 PRO 66 HG1 PRO 66 -7.870 -11.150 1.235 548 HD2 PRO 66 HD2 PRO 66 -6.125 -11.302 3.664 549 HD3 PRO 66 HD1 PRO 66 -5.702 -11.502 1.946 550 H GLY 67 HN GLY 67 -7.417 -6.182 2.882 551 HA2 GLY 67 HA2 GLY 67 -8.063 -5.033 4.929 552 HA3 GLY 67 HA1 GLY 67 -7.207 -6.287 5.807 553 H TRP 68 HN TRP 68 -5.430 -5.601 3.090 554 HA TRP 68 HA TRP 68 -3.314 -4.500 4.530 555 HB2 TRP 68 HB2 TRP 68 -2.229 -4.034 2.379 556 HB3 TRP 68 HB1 TRP 68 -2.819 -5.670 2.428 557 HD1 TRP 68 HD1 TRP 68 -5.043 -6.151 0.814 558 HE1 TRP 68 HE1 TRP 68 -5.748 -5.039 -1.391 559 HE3 TRP 68 HE3 TRP 68 -2.280 -1.862 1.144 560 HZ2 TRP 68 HZ2 TRP 68 -5.199 -2.657 -2.823 561 HZ3 TRP 68 HZ3 TRP 68 -2.416 -0.221 -0.685 562 HH2 TRP 68 HH2 TRP 68 -3.840 -0.602 -2.624 563 H VAL 69 HN VAL 69 -5.960 -2.940 2.926 564 HA VAL 69 HA VAL 69 -4.687 -0.494 2.435 565 HB VAL 69 HB VAL 69 -7.656 -0.898 2.826 566 HG11 VAL 69 HG11 VAL 69 -7.839 1.059 1.371 567 HG12 VAL 69 HG12 VAL 69 -6.083 1.217 1.367 568 HG13 VAL 69 HG13 VAL 69 -6.989 1.428 2.870 569 HG21 VAL 69 HG21 VAL 69 -7.774 -1.174 0.398 570 HG22 VAL 69 HG22 VAL 69 -6.775 -2.436 1.121 571 HG23 VAL 69 HG23 VAL 69 -6.019 -1.075 0.293 572 H GLU 70 HN GLU 70 -6.789 -1.480 5.189 573 HA GLU 70 HA GLU 70 -6.875 0.935 6.458 574 HB2 GLU 70 HB2 GLU 70 -6.781 -1.783 7.761 575 HB3 GLU 70 HB1 GLU 70 -7.411 -0.296 8.440 576 HG2 GLU 70 HG2 GLU 70 -9.346 -1.356 7.819 577 HG3 GLU 70 HG1 GLU 70 -9.026 -0.375 6.395 578 H TYR 71 HN TYR 71 -4.449 -1.656 6.798 579 HA TYR 71 HA TYR 71 -3.002 -0.323 8.818 580 HB2 TYR 71 HB2 TYR 71 -2.223 -2.572 6.968 581 HB3 TYR 71 HB1 TYR 71 -1.291 -2.028 8.355 582 HD1 TYR 71 HD2 TYR 71 -2.204 -2.363 10.662 583 HD2 TYR 71 HD1 TYR 71 -4.107 -3.976 7.229 584 HE1 TYR 71 HE2 TYR 71 -3.485 -3.900 12.098 585 HE2 TYR 71 HE1 TYR 71 -5.387 -5.509 8.640 586 HH TYR 71 HH TYR 71 -5.236 -6.534 10.779 587 H PHE 72 HN PHE 72 -2.909 -0.383 5.337 588 HA PHE 72 HA PHE 72 -0.411 0.895 5.049 589 HB2 PHE 72 HB2 PHE 72 -1.532 -0.369 3.219 590 HB3 PHE 72 HB1 PHE 72 -2.769 0.874 3.147 591 HD1 PHE 72 HD1 PHE 72 0.947 0.560 2.970 592 HD2 PHE 72 HD2 PHE 72 -2.559 2.475 1.514 593 HE1 PHE 72 HE1 PHE 72 2.299 1.764 1.311 594 HE2 PHE 72 HE2 PHE 72 -1.211 3.690 -0.147 595 HZ PHE 72 HZ PHE 72 1.223 3.334 -0.250 596 H ILE 73 HN ILE 73 -3.727 2.104 5.257 597 HA ILE 73 HA ILE 73 -3.173 4.840 4.896 598 HB ILE 73 HB ILE 73 -5.338 3.561 6.611 599 HG12 ILE 73 HG12 ILE 73 -5.483 4.663 3.799 600 HG13 ILE 73 HG11 ILE 73 -5.358 2.954 4.193 601 HG21 ILE 73 HG21 ILE 73 -6.535 5.706 6.409 602 HG22 ILE 73 HG22 ILE 73 -5.143 6.394 5.575 603 HG23 ILE 73 HG23 ILE 73 -4.999 5.896 7.259 604 HD11 ILE 73 HD11 ILE 73 -7.636 3.655 3.631 605 HD12 ILE 73 HD12 ILE 73 -7.614 4.765 5.010 606 HD13 ILE 73 HD13 ILE 73 -7.516 3.025 5.276 607 H ALA 74 HN ALA 74 -3.180 2.838 7.787 608 HA ALA 74 HA ALA 74 -2.557 4.886 9.635 609 HB1 ALA 74 HB1 ALA 74 -3.524 2.730 10.311 610 HB2 ALA 74 HB2 ALA 74 -2.031 3.074 11.188 611 HB3 ALA 74 HB3 ALA 74 -2.025 1.921 9.853 612 H ALA 75 HN ALA 75 -0.645 2.997 7.475 613 HA ALA 75 HA ALA 75 1.875 3.359 8.688 614 HB1 ALA 75 HB1 ALA 75 2.794 2.553 6.603 615 HB2 ALA 75 HB2 ALA 75 1.249 2.814 5.795 616 HB3 ALA 75 HB3 ALA 75 1.389 1.582 7.040 617 H LEU 76 HN LEU 76 0.344 5.079 5.875 618 HA LEU 76 HA LEU 76 2.368 6.923 5.528 619 HB2 LEU 76 HB2 LEU 76 -0.570 6.973 4.981 620 HB3 LEU 76 HB1 LEU 76 0.459 8.329 4.589 621 HG LEU 76 HG LEU 76 -0.024 7.066 2.690 622 HD11 LEU 76 HD11 LEU 76 2.226 6.540 1.859 623 HD12 LEU 76 HD12 LEU 76 2.832 6.604 3.510 624 HD13 LEU 76 HD13 LEU 76 2.175 8.057 2.752 625 HD21 LEU 76 HD21 LEU 76 -0.511 4.915 3.546 626 HD22 LEU 76 HD22 LEU 76 1.172 4.670 4.026 627 HD23 LEU 76 HD23 LEU 76 0.739 4.769 2.315 628 H ARG 77 HN ARG 77 -0.481 7.029 7.570 629 HA ARG 77 HA ARG 77 -0.097 9.699 8.449 630 HB2 ARG 77 HB2 ARG 77 -2.276 8.586 8.477 631 HB3 ARG 77 HB1 ARG 77 -1.688 7.431 9.643 632 HG2 ARG 77 HG2 ARG 77 -1.566 9.038 11.364 633 HG3 ARG 77 HG1 ARG 77 -1.781 10.372 10.231 634 HD2 ARG 77 HD2 ARG 77 -3.828 9.874 11.547 635 HD3 ARG 77 HD1 ARG 77 -4.054 9.729 9.813 636 HE ARG 77 HE ARG 77 -3.991 7.341 10.078 637 HH11 ARG 77 HH11 ARG 77 -4.272 9.092 13.148 638 HH12 ARG 77 HH12 ARG 77 -5.290 7.953 13.880 639 HH21 ARG 77 HH21 ARG 77 -5.454 5.728 11.124 640 HH22 ARG 77 HH22 ARG 77 -5.970 6.030 12.713 641 H GLY 78 HN GLY 78 1.005 6.621 9.540 642 HA2 GLY 78 HA2 GLY 78 1.965 7.541 12.082 643 HA3 GLY 78 HA1 GLY 78 2.255 5.969 11.361 644 H CYS 79 HN CYS 79 3.354 7.325 8.892 645 HA CYS 79 HA CYS 79 5.981 7.633 10.020 646 HB2 CYS 79 HB2 CYS 79 6.766 7.754 7.604 647 HB3 CYS 79 HB1 CYS 79 6.000 6.251 8.096 648 HG CYS 79 HG CYS 79 3.811 6.473 6.741 649 H GLU 80 HN GLU 80 4.623 9.587 7.385 650 HA GLU 80 HA GLU 80 4.618 12.003 8.901 651 HB2 GLU 80 HB2 GLU 80 6.507 13.151 7.839 652 HB3 GLU 80 HB1 GLU 80 7.062 11.742 8.723 653 HG2 GLU 80 HG2 GLU 80 7.169 10.486 6.650 654 HG3 GLU 80 HG1 GLU 80 6.668 11.913 5.748 655 H LEU 81 HN LEU 81 3.125 10.366 6.793 656 HA LEU 81 HA LEU 81 2.957 12.440 4.746 657 HB2 LEU 81 HB2 LEU 81 2.837 9.458 4.364 658 HB3 LEU 81 HB1 LEU 81 2.646 10.666 3.101 659 HG LEU 81 HG LEU 81 5.169 10.425 4.737 660 HD11 LEU 81 HD11 LEU 81 6.150 9.232 2.872 661 HD12 LEU 81 HD12 LEU 81 4.584 9.185 2.064 662 HD13 LEU 81 HD13 LEU 81 4.821 8.326 3.586 663 HD21 LEU 81 HD21 LEU 81 4.568 11.732 2.092 664 HD22 LEU 81 HD22 LEU 81 6.149 11.653 2.867 665 HD23 LEU 81 HD23 LEU 81 4.843 12.562 3.625 666 H VAL 82 HN VAL 82 1.271 13.218 6.046 667 HA VAL 82 HA VAL 82 -1.064 11.650 6.621 668 HB VAL 82 HB VAL 82 -0.716 14.661 6.736 669 HG11 VAL 82 HG11 VAL 82 -2.526 14.612 8.377 670 HG12 VAL 82 HG12 VAL 82 -2.688 12.871 8.146 671 HG13 VAL 82 HG13 VAL 82 -3.046 13.971 6.817 672 HG21 VAL 82 HG21 VAL 82 -0.241 12.615 8.904 673 HG22 VAL 82 HG22 VAL 82 -0.193 14.364 9.115 674 HG23 VAL 82 HG23 VAL 82 0.995 13.566 8.085 675 H ASP 83 HN ASP 83 0.053 13.724 4.129 676 HA ASP 83 HA ASP 83 -2.395 14.310 2.851 677 HB2 ASP 83 HB2 ASP 83 -0.980 14.983 0.897 678 HB3 ASP 83 HB1 ASP 83 -0.456 15.717 2.398 679 H LEU 84 HN LEU 84 0.094 11.942 2.089 680 HA LEU 84 HA LEU 84 -1.393 10.587 0.101 681 HB2 LEU 84 HB2 LEU 84 0.845 9.646 1.874 682 HB3 LEU 84 HB1 LEU 84 0.156 8.651 0.610 683 HG LEU 84 HG LEU 84 1.410 11.341 0.038 684 HD11 LEU 84 HD11 LEU 84 3.388 10.068 -0.633 685 HD12 LEU 84 HD12 LEU 84 2.631 8.587 -0.036 686 HD13 LEU 84 HD13 LEU 84 3.044 9.891 1.085 687 HD21 LEU 84 HD21 LEU 84 -0.119 10.373 -1.678 688 HD22 LEU 84 HD22 LEU 84 0.915 8.929 -1.686 689 HD23 LEU 84 HD23 LEU 84 1.568 10.467 -2.208 690 H ALA 85 HN ALA 85 -1.224 10.182 3.587 691 HA ALA 85 HA ALA 85 -2.664 7.788 3.825 692 HB1 ALA 85 HB1 ALA 85 -3.118 8.456 6.126 693 HB2 ALA 85 HB2 ALA 85 -2.632 10.110 5.754 694 HB3 ALA 85 HB3 ALA 85 -1.443 8.816 5.706 695 H ASP 86 HN ASP 86 -3.731 11.140 3.716 696 HA ASP 86 HA ASP 86 -6.474 10.647 4.151 697 HB2 ASP 86 HB2 ASP 86 -5.559 12.866 4.451 698 HB3 ASP 86 HB1 ASP 86 -5.107 12.941 2.757 699 H GLU 87 HN GLU 87 -4.525 10.855 1.199 700 HA GLU 87 HA GLU 87 -6.593 10.758 -0.602 701 HB2 GLU 87 HB2 GLU 87 -3.737 9.834 -0.779 702 HB3 GLU 87 HB1 GLU 87 -4.811 9.923 -2.155 703 HG2 GLU 87 HG2 GLU 87 -5.108 12.379 -1.593 704 HG3 GLU 87 HG1 GLU 87 -3.772 12.175 -0.466 705 H VAL 88 HN VAL 88 -4.666 8.074 0.800 706 HA VAL 88 HA VAL 88 -6.111 6.053 -0.585 707 HB VAL 88 HB VAL 88 -4.629 5.746 2.047 708 HG11 VAL 88 HG11 VAL 88 -6.058 3.848 1.469 709 HG12 VAL 88 HG12 VAL 88 -4.355 3.416 1.386 710 HG13 VAL 88 HG13 VAL 88 -5.260 3.719 -0.100 711 HG21 VAL 88 HG21 VAL 88 -2.680 5.105 0.722 712 HG22 VAL 88 HG22 VAL 88 -3.177 6.764 0.377 713 HG23 VAL 88 HG23 VAL 88 -3.572 5.466 -0.756 714 H ALA 89 HN ALA 89 -6.473 7.618 2.530 715 HA ALA 89 HA ALA 89 -8.450 5.984 3.639 716 HB1 ALA 89 HB1 ALA 89 -8.930 7.831 5.127 717 HB2 ALA 89 HB2 ALA 89 -8.025 8.929 4.085 718 HB3 ALA 89 HB3 ALA 89 -7.187 7.629 4.937 719 H SER 90 HN SER 90 -8.669 8.665 1.421 720 HA SER 90 HA SER 90 -11.477 8.970 1.562 721 HB2 SER 90 HB2 SER 90 -9.931 10.712 0.671 722 HB3 SER 90 HB1 SER 90 -9.593 9.659 -0.697 723 HG SER 90 HG SER 90 -11.451 11.412 -0.552 724 H VAL 91 HN VAL 91 -9.308 7.148 -0.531 725 HA VAL 91 HA VAL 91 -11.190 6.292 -2.427 726 HB VAL 91 HB VAL 91 -8.656 4.858 -1.597 727 HG11 VAL 91 HG11 VAL 91 -10.109 3.445 -2.936 728 HG12 VAL 91 HG12 VAL 91 -8.695 3.939 -3.872 729 HG13 VAL 91 HG13 VAL 91 -10.251 4.717 -4.152 730 HG21 VAL 91 HG21 VAL 91 -8.185 7.161 -2.209 731 HG22 VAL 91 HG22 VAL 91 -9.077 6.954 -3.716 732 HG23 VAL 91 HG23 VAL 91 -7.586 6.056 -3.445 733 H TYR 92 HN TYR 92 -9.832 4.549 0.356 734 HA TYR 92 HA TYR 92 -11.641 2.371 -0.090 735 HB2 TYR 92 HB2 TYR 92 -9.290 2.211 0.767 736 HB3 TYR 92 HB1 TYR 92 -9.874 2.816 2.309 737 HD1 TYR 92 HD2 TYR 92 -10.208 0.026 -0.105 738 HD2 TYR 92 HD1 TYR 92 -10.862 1.376 3.844 739 HE1 TYR 92 HE2 TYR 92 -10.762 -2.292 0.565 740 HE2 TYR 92 HE1 TYR 92 -11.423 -0.945 4.555 741 HH TYR 92 HH TYR 92 -12.211 -2.965 3.556 742 H GLN 93 HN GLN 93 -12.032 5.303 1.342 743 HA GLN 93 HA GLN 93 -14.090 4.337 3.156 744 HB2 GLN 93 HB2 GLN 93 -12.626 6.377 3.668 745 HB3 GLN 93 HB1 GLN 93 -13.558 7.223 2.451 746 HG2 GLN 93 HG2 GLN 93 -15.567 6.995 3.727 747 HG3 GLN 93 HG1 GLN 93 -14.765 5.944 4.888 748 HE21 GLN 93 HE21 GLN 93 -13.285 8.803 3.538 749 HE22 GLN 93 HE22 GLN 93 -13.259 9.711 5.004 750 H SER 94 HN SER 94 -13.701 5.348 -0.050 751 HA SER 94 HA SER 94 -16.542 5.783 -0.459 752 HB2 SER 94 HB2 SER 94 -14.237 5.789 -2.430 753 HB3 SER 94 HB1 SER 94 -15.892 6.302 -2.771 754 HG SER 94 HG SER 94 -14.049 7.500 -0.956 755 H TYR 95 HN TYR 95 -13.995 3.463 -1.031 756 HA TYR 95 HA TYR 95 -15.938 1.497 -2.052 757 HB2 TYR 95 HB2 TYR 95 -12.893 1.452 -2.235 758 HB3 TYR 95 HB1 TYR 95 -14.012 0.280 -2.907 759 HD1 TYR 95 HD1 TYR 95 -12.771 3.735 -3.267 760 HD2 TYR 95 HD2 TYR 95 -15.215 0.684 -4.951 761 HE1 TYR 95 HE1 TYR 95 -12.981 5.048 -5.328 762 HE2 TYR 95 HE2 TYR 95 -15.431 1.994 -7.011 763 HH TYR 95 HH TYR 95 -13.597 4.942 -7.513 764 H GLN 96 HN GLN 96 -16.905 1.000 -0.333 765 HA GLN 96 HA GLN 96 -17.451 0.015 1.512 766 HB2 GLN 96 HB2 GLN 96 -15.090 -1.766 0.953 767 HB3 GLN 96 HB1 GLN 96 -16.320 -2.099 2.165 768 HG2 GLN 96 HG2 GLN 96 -18.026 -2.015 0.353 769 HG3 GLN 96 HG1 GLN 96 -16.711 -1.886 -0.807 770 HE21 GLN 96 HE21 GLN 96 -15.003 -3.765 0.783 771 HE22 GLN 96 HE22 GLN 96 -15.667 -5.309 0.489 772 HA PRO 97 HA PRO 97 -14.839 2.192 4.536 773 HB2 PRO 97 HB2 PRO 97 -16.748 3.805 5.491 774 HB3 PRO 97 HB1 PRO 97 -15.946 4.188 3.963 775 HG2 PRO 97 HG2 PRO 97 -18.597 2.896 4.431 776 HG3 PRO 97 HG1 PRO 97 -18.209 4.175 3.300 777 HD2 PRO 97 HD2 PRO 97 -18.400 1.566 2.567 778 HD3 PRO 97 HD1 PRO 97 -17.326 2.711 1.740 779 H ARG 98 HN ARG 98 -17.426 0.189 4.391 780 HA ARG 98 HA ARG 98 -17.670 -0.222 7.289 781 HB2 ARG 98 HB2 ARG 98 -19.631 -0.892 5.094 782 HB3 ARG 98 HB1 ARG 98 -19.887 -1.046 6.823 783 HG2 ARG 98 HG2 ARG 98 -19.921 1.335 7.088 784 HG3 ARG 98 HG1 ARG 98 -19.447 1.565 5.403 785 HD2 ARG 98 HD2 ARG 98 -22.008 0.330 6.383 786 HD3 ARG 98 HD1 ARG 98 -21.833 1.928 5.656 787 HE ARG 98 HE ARG 98 -21.414 -0.641 4.257 788 HH11 ARG 98 HH11 ARG 98 -22.178 2.818 4.107 789 HH12 ARG 98 HH12 ARG 98 -22.729 2.758 2.508 790 HH21 ARG 98 HH21 ARG 98 -22.079 -0.718 2.118 791 HH22 ARG 98 HH22 ARG 98 -22.691 0.674 1.316 792 H THR 99 HN THR 99 -18.554 -2.683 7.434 793 HA THR 99 HA THR 99 -16.557 -4.328 6.239 794 HB THR 99 HB THR 99 -19.144 -5.258 7.499 795 HG1 THR 99 HG1 THR 99 -16.772 -4.241 8.689 796 HG21 THR 99 HG21 THR 99 -17.652 -6.970 6.516 797 HG22 THR 99 HG22 THR 99 -17.742 -7.127 8.268 798 HG23 THR 99 HG23 THR 99 -16.326 -6.382 7.524 799 H SER 100 HN SER 100 -19.977 -3.624 5.773 800 HA SER 100 HA SER 100 -19.788 -4.449 3.007 801 HB2 SER 100 HB2 SER 100 -22.066 -5.197 4.883 802 HB3 SER 100 HB1 SER 100 -21.978 -5.570 3.162 803 HG SER 100 HG SER 100 -20.231 -6.921 3.563 Start of MODEL 12 1 H1 GLY -1 HT1 GLY -1 -9.271 -6.860 3.111 2 H2 GLY -1 HT2 GLY -1 -9.146 -7.060 4.783 3 H3 GLY -1 HT3 GLY -1 -9.851 -5.674 4.165 4 HA2 GLY -1 HA1 GLY -1 -11.534 -7.095 5.037 5 HA3 GLY -1 HA2 GLY -1 -11.668 -7.016 3.282 6 H SER 0 HN SER 0 -12.862 -9.109 4.408 7 HA SER 0 HA SER 0 -11.040 -11.369 4.516 8 HB2 SER 0 HB2 SER 0 -12.924 -11.115 6.162 9 HB3 SER 0 HB1 SER 0 -14.062 -11.282 4.828 10 HG SER 0 HG SER 0 -12.323 -13.161 5.969 11 H MET 1 HN MET 1 -12.731 -9.668 2.213 12 HA MET 1 HA MET 1 -12.235 -11.597 0.243 13 HB2 MET 1 HB2 MET 1 -14.505 -11.360 -0.777 14 HB3 MET 1 HB1 MET 1 -14.442 -12.325 0.694 15 HG2 MET 1 HG2 MET 1 -15.372 -10.475 1.976 16 HG3 MET 1 HG1 MET 1 -15.327 -9.458 0.537 17 HE1 MET 1 HE1 MET 1 -18.115 -10.990 -1.707 18 HE2 MET 1 HE2 MET 1 -16.395 -11.361 -1.769 19 HE3 MET 1 HE3 MET 1 -16.927 -9.699 -1.514 20 HA PRO 2 HA PRO 2 -11.013 -7.302 -0.596 21 HB2 PRO 2 HB2 PRO 2 -9.064 -8.096 -2.384 22 HB3 PRO 2 HB1 PRO 2 -8.870 -7.795 -0.648 23 HG2 PRO 2 HG2 PRO 2 -9.210 -10.388 -2.089 24 HG3 PRO 2 HG1 PRO 2 -8.196 -10.011 -0.685 25 HD2 PRO 2 HD2 PRO 2 -10.579 -11.303 -0.427 26 HD3 PRO 2 HD1 PRO 2 -10.004 -10.205 0.800 27 H PHE 3 HN PHE 3 -12.872 -6.840 -1.626 28 HA PHE 3 HA PHE 3 -12.665 -6.974 -4.558 29 HB2 PHE 3 HB2 PHE 3 -14.750 -8.017 -3.576 30 HB3 PHE 3 HB1 PHE 3 -15.169 -6.438 -2.921 31 HD1 PHE 3 HD2 PHE 3 -14.826 -8.437 -5.965 32 HD2 PHE 3 HD1 PHE 3 -16.011 -4.687 -4.356 33 HE1 PHE 3 HE2 PHE 3 -15.926 -7.881 -8.088 34 HE2 PHE 3 HE1 PHE 3 -17.111 -4.120 -6.480 35 HZ PHE 3 HZ PHE 3 -17.068 -5.719 -8.349 36 H ALA 4 HN ALA 4 -13.538 -5.065 -1.744 37 HA ALA 4 HA ALA 4 -13.593 -2.546 -2.959 38 HB1 ALA 4 HB1 ALA 4 -14.528 -3.032 -0.735 39 HB2 ALA 4 HB2 ALA 4 -13.400 -1.696 -0.664 40 HB3 ALA 4 HB3 ALA 4 -12.902 -3.294 -0.106 41 H GLU 5 HN GLU 5 -11.070 -4.301 -1.215 42 HA GLU 5 HA GLU 5 -9.013 -2.404 -1.581 43 HB2 GLU 5 HB2 GLU 5 -8.770 -5.375 -1.143 44 HB3 GLU 5 HB1 GLU 5 -7.496 -4.191 -0.901 45 HG2 GLU 5 HG2 GLU 5 -8.902 -3.138 0.859 46 HG3 GLU 5 HG1 GLU 5 -10.041 -4.471 0.673 47 H ASP 6 HN ASP 6 -10.187 -5.066 -3.464 48 HA ASP 6 HA ASP 6 -8.059 -5.466 -5.249 49 HB2 ASP 6 HB2 ASP 6 -10.007 -6.999 -4.975 50 HB3 ASP 6 HB1 ASP 6 -11.029 -5.802 -5.752 51 H LYS 7 HN LYS 7 -10.905 -3.370 -5.414 52 HA LYS 7 HA LYS 7 -9.929 -2.192 -7.853 53 HB2 LYS 7 HB2 LYS 7 -12.347 -1.467 -6.212 54 HB3 LYS 7 HB1 LYS 7 -11.939 -0.750 -7.767 55 HG2 LYS 7 HG2 LYS 7 -11.996 -3.105 -8.712 56 HG3 LYS 7 HG1 LYS 7 -12.733 -3.593 -7.190 57 HD2 LYS 7 HD2 LYS 7 -13.803 -1.522 -9.098 58 HD3 LYS 7 HD1 LYS 7 -14.398 -3.172 -8.924 59 HE2 LYS 7 HE2 LYS 7 -15.079 -2.700 -6.638 60 HE3 LYS 7 HE1 LYS 7 -14.424 -1.066 -6.766 61 HZ1 LYS 7 HZ1 LYS 7 -16.034 -0.613 -8.518 62 HZ2 LYS 7 HZ2 LYS 7 -16.812 -1.070 -7.114 63 HZ3 LYS 7 HZ3 LYS 7 -16.651 -2.170 -8.381 64 H THR 8 HN THR 8 -9.764 -1.432 -4.486 65 HA THR 8 HA THR 8 -9.056 1.275 -4.673 66 HB THR 8 HB THR 8 -8.129 -0.832 -2.687 67 HG1 THR 8 HG1 THR 8 -10.384 -0.446 -2.646 68 HG21 THR 8 HG21 THR 8 -6.597 1.091 -2.655 69 HG22 THR 8 HG22 THR 8 -7.571 1.046 -1.185 70 HG23 THR 8 HG23 THR 8 -7.964 2.189 -2.468 71 H TYR 9 HN TYR 9 -7.106 -1.679 -4.801 72 HA TYR 9 HA TYR 9 -4.560 -0.687 -5.112 73 HB2 TYR 9 HB2 TYR 9 -5.081 -3.109 -4.924 74 HB3 TYR 9 HB1 TYR 9 -5.812 -3.062 -6.522 75 HD1 TYR 9 HD2 TYR 9 -2.678 -2.981 -4.636 76 HD2 TYR 9 HD1 TYR 9 -4.420 -3.070 -8.509 77 HE1 TYR 9 HE2 TYR 9 -0.508 -3.547 -5.597 78 HE2 TYR 9 HE1 TYR 9 -2.239 -3.632 -9.490 79 HH TYR 9 HH TYR 9 0.085 -3.435 -8.977 80 H LYS 10 HN LYS 10 -7.002 -1.250 -7.583 81 HA LYS 10 HA LYS 10 -5.412 -0.580 -9.827 82 HB2 LYS 10 HB2 LYS 10 -8.400 -0.308 -9.715 83 HB3 LYS 10 HB1 LYS 10 -7.388 -0.670 -11.103 84 HG2 LYS 10 HG2 LYS 10 -6.850 -2.854 -10.106 85 HG3 LYS 10 HG1 LYS 10 -7.949 -2.491 -8.775 86 HD2 LYS 10 HD2 LYS 10 -9.666 -2.043 -10.683 87 HD3 LYS 10 HD1 LYS 10 -8.552 -3.015 -11.645 88 HE2 LYS 10 HE2 LYS 10 -9.929 -3.856 -9.093 89 HE3 LYS 10 HE1 LYS 10 -10.318 -4.393 -10.715 90 HZ1 LYS 10 HZ1 LYS 10 -8.244 -5.562 -10.824 91 HZ2 LYS 10 HZ2 LYS 10 -9.043 -5.939 -9.357 92 HZ3 LYS 10 HZ3 LYS 10 -7.736 -4.918 -9.334 93 H TYR 11 HN TYR 11 -7.553 1.274 -7.755 94 HA TYR 11 HA TYR 11 -7.688 3.596 -9.396 95 HB2 TYR 11 HB2 TYR 11 -9.083 2.753 -7.199 96 HB3 TYR 11 HB1 TYR 11 -7.970 3.868 -6.475 97 HD1 TYR 11 HD1 TYR 11 -8.012 6.255 -6.924 98 HD2 TYR 11 HD2 TYR 11 -10.816 3.642 -8.765 99 HE1 TYR 11 HE1 TYR 11 -9.392 8.190 -7.580 100 HE2 TYR 11 HE2 TYR 11 -12.197 5.574 -9.415 101 HH TYR 11 HH TYR 11 -11.028 8.799 -9.134 102 H ILE 12 HN ILE 12 -5.754 2.622 -6.632 103 HA ILE 12 HA ILE 12 -4.329 5.067 -6.360 104 HB ILE 12 HB ILE 12 -3.607 2.273 -5.403 105 HG12 ILE 12 HG12 ILE 12 -5.772 3.121 -4.573 106 HG13 ILE 12 HG11 ILE 12 -4.599 2.902 -3.266 107 HG21 ILE 12 HG21 ILE 12 -1.633 3.702 -5.412 108 HG22 ILE 12 HG22 ILE 12 -2.151 3.377 -3.758 109 HG23 ILE 12 HG23 ILE 12 -2.504 4.937 -4.501 110 HD11 ILE 12 HD11 ILE 12 -4.198 5.355 -3.332 111 HD12 ILE 12 HD12 ILE 12 -5.851 4.914 -2.920 112 HD13 ILE 12 HD13 ILE 12 -5.476 5.496 -4.544 113 H CYS 13 HN CYS 13 -3.865 2.262 -8.359 114 HA CYS 13 HA CYS 13 -1.205 2.780 -9.107 115 HB2 CYS 13 HB2 CYS 13 -3.415 1.363 -10.575 116 HB3 CYS 13 HB1 CYS 13 -1.747 1.417 -11.126 117 HG CYS 13 HG CYS 13 -2.975 -0.051 -8.314 118 H ARG 14 HN ARG 14 -4.106 4.366 -9.933 119 HA ARG 14 HA ARG 14 -3.116 5.505 -12.404 120 HB2 ARG 14 HB2 ARG 14 -5.415 6.599 -10.788 121 HB3 ARG 14 HB1 ARG 14 -5.122 6.791 -12.504 122 HG2 ARG 14 HG2 ARG 14 -5.491 4.299 -12.714 123 HG3 ARG 14 HG1 ARG 14 -6.067 4.350 -11.044 124 HD2 ARG 14 HD2 ARG 14 -7.999 4.545 -12.386 125 HD3 ARG 14 HD1 ARG 14 -7.660 6.172 -11.801 126 HE ARG 14 HE ARG 14 -6.936 5.187 -14.472 127 HH11 ARG 14 HH11 ARG 14 -8.007 7.877 -12.405 128 HH12 ARG 14 HH12 ARG 14 -8.257 8.941 -13.695 129 HH21 ARG 14 HH21 ARG 14 -7.324 6.640 -16.225 130 HH22 ARG 14 HH22 ARG 14 -7.887 8.226 -15.936 131 H ASN 15 HN ASN 15 -3.155 6.335 -9.022 132 HA ASN 15 HA ASN 15 -1.974 8.948 -9.655 133 HB2 ASN 15 HB2 ASN 15 -2.741 9.781 -7.488 134 HB3 ASN 15 HB1 ASN 15 -4.100 9.018 -8.333 135 HD21 ASN 15 HD21 ASN 15 -5.044 7.224 -7.492 136 HD22 ASN 15 HD22 ASN 15 -4.650 6.668 -5.902 137 H PHE 16 HN PHE 16 -0.903 6.205 -9.377 138 HA PHE 16 HA PHE 16 0.789 5.737 -7.271 139 HB2 PHE 16 HB2 PHE 16 0.533 4.179 -9.137 140 HB3 PHE 16 HB1 PHE 16 1.395 5.280 -10.200 141 HD1 PHE 16 HD1 PHE 16 1.766 3.088 -7.245 142 HD2 PHE 16 HD2 PHE 16 3.754 5.245 -10.329 143 HE1 PHE 16 HE1 PHE 16 3.882 1.973 -6.661 144 HE2 PHE 16 HE2 PHE 16 5.871 4.135 -9.750 145 HZ PHE 16 HZ PHE 16 5.936 2.498 -7.915 146 H SER 17 HN SER 17 1.298 8.063 -9.857 147 HA SER 17 HA SER 17 3.950 8.757 -9.477 148 HB2 SER 17 HB2 SER 17 1.677 10.589 -10.205 149 HB3 SER 17 HB1 SER 17 3.368 10.701 -10.716 150 HG SER 17 HG SER 17 2.111 9.787 -12.327 151 H ASN 18 HN ASN 18 1.084 9.590 -7.650 152 HA ASN 18 HA ASN 18 2.206 11.771 -6.168 153 HB2 ASN 18 HB2 ASN 18 -0.347 10.175 -5.992 154 HB3 ASN 18 HB1 ASN 18 0.035 11.358 -4.761 155 HD21 ASN 18 HD21 ASN 18 -1.818 12.498 -5.354 156 HD22 ASN 18 HD22 ASN 18 -1.892 13.477 -6.763 157 H PHE 19 HN PHE 19 1.981 8.333 -5.828 158 HA PHE 19 HA PHE 19 2.870 8.419 -3.070 159 HB2 PHE 19 HB2 PHE 19 2.041 6.203 -4.917 160 HB3 PHE 19 HB1 PHE 19 2.908 5.853 -3.426 161 HD1 PHE 19 HD1 PHE 19 -0.148 7.474 -4.766 162 HD2 PHE 19 HD2 PHE 19 1.794 5.751 -1.405 163 HE1 PHE 19 HE1 PHE 19 -2.255 7.568 -3.507 164 HE2 PHE 19 HE2 PHE 19 -0.311 5.843 -0.134 165 HZ PHE 19 HZ PHE 19 -2.339 6.757 -1.192 166 H CYS 20 HN CYS 20 4.259 8.569 -6.046 167 HA CYS 20 HA CYS 20 6.556 6.919 -5.589 168 HB2 CYS 20 HB2 CYS 20 5.549 7.273 -7.820 169 HB3 CYS 20 HB1 CYS 20 5.990 8.970 -7.748 170 HG CYS 20 HG CYS 20 8.689 8.469 -7.709 171 H ASN 21 HN ASN 21 6.064 9.036 -3.690 172 HA ASN 21 HA ASN 21 8.687 10.354 -3.711 173 HB2 ASN 21 HB2 ASN 21 7.118 12.058 -4.456 174 HB3 ASN 21 HB1 ASN 21 6.004 11.665 -3.161 175 HD21 ASN 21 HD21 ASN 21 9.023 13.196 -3.963 176 HD22 ASN 21 HD22 ASN 21 9.171 14.130 -2.530 177 H VAL 22 HN VAL 22 6.808 8.181 -2.311 178 HA VAL 22 HA VAL 22 6.764 9.024 0.444 179 HB VAL 22 HB VAL 22 5.057 7.528 -0.886 180 HG11 VAL 22 HG11 VAL 22 6.513 6.049 -1.807 181 HG12 VAL 22 HG12 VAL 22 5.335 5.226 -0.769 182 HG13 VAL 22 HG13 VAL 22 7.010 5.441 -0.217 183 HG21 VAL 22 HG21 VAL 22 4.443 6.281 1.149 184 HG22 VAL 22 HG22 VAL 22 4.801 7.974 1.492 185 HG23 VAL 22 HG23 VAL 22 5.995 6.728 1.861 186 H ASP 23 HN ASP 23 7.682 7.520 2.138 187 HA ASP 23 HA ASP 23 10.138 6.210 1.269 188 HB2 ASP 23 HB2 ASP 23 10.425 7.773 3.187 189 HB3 ASP 23 HB1 ASP 23 9.208 6.870 4.072 190 H VAL 24 HN VAL 24 10.393 4.025 1.821 191 HA VAL 24 HA VAL 24 7.774 2.720 2.115 192 HB VAL 24 HB VAL 24 10.250 1.797 0.639 193 HG11 VAL 24 HG11 VAL 24 7.564 0.479 0.879 194 HG12 VAL 24 HG12 VAL 24 9.125 -0.165 1.464 195 HG13 VAL 24 HG13 VAL 24 8.824 0.061 -0.277 196 HG21 VAL 24 HG21 VAL 24 8.870 2.040 -1.360 197 HG22 VAL 24 HG22 VAL 24 9.086 3.562 -0.494 198 HG23 VAL 24 HG23 VAL 24 7.567 2.683 -0.360 199 H VAL 25 HN VAL 25 10.942 2.963 3.406 200 HA VAL 25 HA VAL 25 10.663 0.459 4.789 201 HB VAL 25 HB VAL 25 12.904 0.978 5.833 202 HG11 VAL 25 HG11 VAL 25 12.662 0.795 2.829 203 HG12 VAL 25 HG12 VAL 25 12.565 -0.550 3.960 204 HG13 VAL 25 HG13 VAL 25 14.082 0.326 3.768 205 HG21 VAL 25 HG21 VAL 25 14.289 2.642 4.664 206 HG22 VAL 25 HG22 VAL 25 12.911 3.397 5.466 207 HG23 VAL 25 HG23 VAL 25 12.882 3.139 3.724 208 H GLU 26 HN GLU 26 10.385 3.843 5.657 209 HA GLU 26 HA GLU 26 10.280 3.398 8.455 210 HB2 GLU 26 HB2 GLU 26 10.384 5.628 7.058 211 HB3 GLU 26 HB1 GLU 26 8.641 5.516 7.097 212 HG2 GLU 26 HG2 GLU 26 9.380 6.926 8.885 213 HG3 GLU 26 HG1 GLU 26 8.739 5.427 9.567 214 H ILE 27 HN ILE 27 8.103 3.019 5.870 215 HA ILE 27 HA ILE 27 5.615 2.867 7.216 216 HB ILE 27 HB ILE 27 6.685 2.030 4.562 217 HG12 ILE 27 HG12 ILE 27 4.401 3.840 5.346 218 HG13 ILE 27 HG11 ILE 27 6.015 4.337 4.857 219 HG21 ILE 27 HG21 ILE 27 5.365 0.140 4.933 220 HG22 ILE 27 HG22 ILE 27 4.462 1.177 3.824 221 HG23 ILE 27 HG23 ILE 27 4.016 1.087 5.525 222 HD11 ILE 27 HD11 ILE 27 4.408 4.629 3.057 223 HD12 ILE 27 HD12 ILE 27 4.011 2.908 3.115 224 HD13 ILE 27 HD13 ILE 27 5.628 3.430 2.640 225 H LEU 28 HN LEU 28 8.140 0.517 6.782 226 HA LEU 28 HA LEU 28 6.689 -1.814 6.927 227 HB2 LEU 28 HB2 LEU 28 9.467 -1.359 7.957 228 HB3 LEU 28 HB1 LEU 28 8.748 -2.939 7.703 229 HG LEU 28 HG LEU 28 9.327 -0.881 5.578 230 HD11 LEU 28 HD11 LEU 28 10.629 -3.527 6.182 231 HD12 LEU 28 HD12 LEU 28 11.346 -1.928 6.401 232 HD13 LEU 28 HD13 LEU 28 10.970 -2.514 4.782 233 HD21 LEU 28 HD21 LEU 28 8.181 -3.660 5.339 234 HD22 LEU 28 HD22 LEU 28 8.701 -2.646 3.998 235 HD23 LEU 28 HD23 LEU 28 7.344 -2.144 4.995 236 HA PRO 29 HA PRO 29 6.879 -2.230 11.692 237 HB2 PRO 29 HB2 PRO 29 7.371 -0.035 13.201 238 HB3 PRO 29 HB1 PRO 29 8.650 -1.136 12.671 239 HG2 PRO 29 HG2 PRO 29 7.810 1.492 11.498 240 HG3 PRO 29 HG1 PRO 29 9.445 0.887 11.813 241 HD2 PRO 29 HD2 PRO 29 8.348 0.816 9.353 242 HD3 PRO 29 HD1 PRO 29 9.447 -0.455 9.934 243 H TYR 30 HN TYR 30 5.646 0.472 10.006 244 HA TYR 30 HA TYR 30 3.476 0.924 11.873 245 HB2 TYR 30 HB2 TYR 30 4.587 2.399 9.527 246 HB3 TYR 30 HB1 TYR 30 3.064 2.896 10.199 247 HD1 TYR 30 HD2 TYR 30 3.240 3.124 12.940 248 HD2 TYR 30 HD1 TYR 30 6.452 3.500 10.195 249 HE1 TYR 30 HE2 TYR 30 4.508 4.397 14.620 250 HE2 TYR 30 HE1 TYR 30 7.745 4.774 11.870 251 HH TYR 30 HH TYR 30 6.859 4.861 15.121 252 H LEU 31 HN LEU 31 4.102 -1.126 9.383 253 HA LEU 31 HA LEU 31 1.317 -1.189 8.507 254 HB2 LEU 31 HB2 LEU 31 2.772 -0.241 6.773 255 HB3 LEU 31 HB1 LEU 31 3.838 -1.612 6.922 256 HG LEU 31 HG LEU 31 2.054 -3.052 6.204 257 HD11 LEU 31 HD11 LEU 31 0.576 -0.520 5.629 258 HD12 LEU 31 HD12 LEU 31 0.105 -1.783 6.768 259 HD13 LEU 31 HD13 LEU 31 0.091 -2.104 5.033 260 HD21 LEU 31 HD21 LEU 31 2.799 -0.873 4.270 261 HD22 LEU 31 HD22 LEU 31 2.133 -2.441 3.818 262 HD23 LEU 31 HD23 LEU 31 3.707 -2.350 4.606 263 HA PRO 32 HA PRO 32 2.245 -5.342 10.215 264 HB2 PRO 32 HB2 PRO 32 -0.630 -5.259 10.838 265 HB3 PRO 32 HB1 PRO 32 0.730 -5.528 11.929 266 HG2 PRO 32 HG2 PRO 32 -0.700 -3.261 12.014 267 HG3 PRO 32 HG1 PRO 32 1.048 -3.270 12.308 268 HD2 PRO 32 HD2 PRO 32 -0.440 -2.553 9.808 269 HD3 PRO 32 HD1 PRO 32 0.909 -1.696 10.592 270 H CYS 33 HN CYS 33 0.237 -7.239 9.960 271 HA CYS 33 HA CYS 33 -0.833 -8.629 8.620 272 HB2 CYS 33 HB2 CYS 33 -2.267 -6.721 7.927 273 HB3 CYS 33 HB1 CYS 33 -1.123 -6.336 6.650 274 HG CYS 33 HG CYS 33 -3.477 -7.492 5.678 275 H LEU 34 HN LEU 34 1.593 -6.732 6.925 276 HA LEU 34 HA LEU 34 2.352 -8.750 5.080 277 HB2 LEU 34 HB2 LEU 34 3.682 -6.345 6.139 278 HB3 LEU 34 HB1 LEU 34 4.530 -7.467 5.111 279 HG LEU 34 HG LEU 34 2.691 -7.162 3.419 280 HD11 LEU 34 HD11 LEU 34 2.030 -4.761 5.096 281 HD12 LEU 34 HD12 LEU 34 0.989 -6.153 4.809 282 HD13 LEU 34 HD13 LEU 34 1.422 -5.088 3.474 283 HD21 LEU 34 HD21 LEU 34 4.843 -6.355 3.256 284 HD22 LEU 34 HD22 LEU 34 4.441 -4.867 4.140 285 HD23 LEU 34 HD23 LEU 34 3.729 -5.192 2.532 286 H THR 35 HN THR 35 3.576 -10.484 5.351 287 HA THR 35 HA THR 35 4.309 -11.320 7.900 288 HB THR 35 HB THR 35 5.358 -12.485 5.359 289 HG1 THR 35 HG1 THR 35 3.470 -12.273 4.622 290 HG21 THR 35 HG21 THR 35 4.661 -14.571 6.459 291 HG22 THR 35 HG22 THR 35 3.980 -13.605 7.775 292 HG23 THR 35 HG23 THR 35 5.733 -13.619 7.507 293 H ALA 36 HN ALA 36 6.613 -12.029 8.351 294 HA ALA 36 HA ALA 36 8.469 -10.033 8.450 295 HB1 ALA 36 HB1 ALA 36 9.093 -12.982 8.362 296 HB2 ALA 36 HB2 ALA 36 8.578 -12.086 9.791 297 HB3 ALA 36 HB3 ALA 36 10.124 -11.718 9.025 298 H ARG 37 HN ARG 37 8.294 -12.569 5.937 299 HA ARG 37 HA ARG 37 10.572 -11.627 4.578 300 HB2 ARG 37 HB2 ARG 37 8.435 -13.582 3.977 301 HB3 ARG 37 HB1 ARG 37 9.379 -12.970 2.639 302 HG2 ARG 37 HG2 ARG 37 10.329 -15.069 3.428 303 HG3 ARG 37 HG1 ARG 37 11.410 -13.709 3.739 304 HD2 ARG 37 HD2 ARG 37 11.358 -15.247 5.644 305 HD3 ARG 37 HD1 ARG 37 10.704 -13.664 6.067 306 HE ARG 37 HE ARG 37 8.596 -15.315 5.275 307 HH11 ARG 37 HH11 ARG 37 10.890 -15.022 7.982 308 HH12 ARG 37 HH12 ARG 37 9.862 -15.813 9.088 309 HH21 ARG 37 HH21 ARG 37 7.186 -16.352 6.839 310 HH22 ARG 37 HH22 ARG 37 7.711 -16.556 8.430 311 H ASP 38 HN ASP 38 7.146 -11.043 4.192 312 HA ASP 38 HA ASP 38 7.143 -9.585 1.797 313 HB2 ASP 38 HB2 ASP 38 5.424 -9.278 4.253 314 HB3 ASP 38 HB1 ASP 38 5.140 -8.325 2.791 315 H GLN 39 HN GLN 39 7.534 -8.434 5.103 316 HA GLN 39 HA GLN 39 8.001 -5.728 4.411 317 HB2 GLN 39 HB2 GLN 39 8.743 -7.254 6.918 318 HB3 GLN 39 HB1 GLN 39 8.877 -5.511 6.741 319 HG2 GLN 39 HG2 GLN 39 6.459 -5.353 6.420 320 HG3 GLN 39 HG1 GLN 39 6.311 -7.098 6.585 321 HE21 GLN 39 HE21 GLN 39 5.145 -4.925 8.207 322 HE22 GLN 39 HE22 GLN 39 5.658 -5.220 9.806 323 H ASP 40 HN ASP 40 10.132 -8.480 4.932 324 HA ASP 40 HA ASP 40 12.599 -7.105 4.914 325 HB2 ASP 40 HB2 ASP 40 12.374 -9.450 5.644 326 HB3 ASP 40 HB1 ASP 40 12.065 -9.914 3.981 327 H ARG 41 HN ARG 41 10.725 -8.580 2.373 328 HA ARG 41 HA ARG 41 12.483 -8.315 0.208 329 HB2 ARG 41 HB2 ARG 41 9.479 -7.987 0.141 330 HB3 ARG 41 HB1 ARG 41 10.489 -8.188 -1.273 331 HG2 ARG 41 HG2 ARG 41 10.030 -10.218 0.911 332 HG3 ARG 41 HG1 ARG 41 9.322 -10.246 -0.698 333 HD2 ARG 41 HD2 ARG 41 11.122 -11.802 -0.703 334 HD3 ARG 41 HD1 ARG 41 11.669 -10.393 -1.604 335 HE ARG 41 HE ARG 41 12.365 -10.385 1.188 336 HH11 ARG 41 HH11 ARG 41 13.406 -11.341 -2.057 337 HH12 ARG 41 HH12 ARG 41 15.055 -11.415 -1.653 338 HH21 ARG 41 HH21 ARG 41 14.638 -10.466 1.742 339 HH22 ARG 41 HH22 ARG 41 15.770 -10.913 0.542 340 H LEU 42 HN LEU 42 10.284 -6.011 1.592 341 HA LEU 42 HA LEU 42 10.699 -3.983 -0.342 342 HB2 LEU 42 HB2 LEU 42 9.706 -3.785 2.490 343 HB3 LEU 42 HB1 LEU 42 9.527 -2.550 1.252 344 HG LEU 42 HG LEU 42 8.277 -5.299 1.185 345 HD11 LEU 42 HD11 LEU 42 6.168 -4.104 1.466 346 HD12 LEU 42 HD12 LEU 42 7.068 -2.601 1.690 347 HD13 LEU 42 HD13 LEU 42 7.241 -3.916 2.851 348 HD21 LEU 42 HD21 LEU 42 7.937 -2.965 -0.699 349 HD22 LEU 42 HD22 LEU 42 7.095 -4.514 -0.770 350 HD23 LEU 42 HD23 LEU 42 8.826 -4.448 -1.044 351 H ARG 43 HN ARG 43 11.952 -4.524 2.908 352 HA ARG 43 HA ARG 43 13.580 -2.260 3.092 353 HB2 ARG 43 HB2 ARG 43 13.024 -3.619 5.019 354 HB3 ARG 43 HB1 ARG 43 13.893 -4.985 4.342 355 HG2 ARG 43 HG2 ARG 43 16.000 -3.824 4.620 356 HG3 ARG 43 HG1 ARG 43 15.156 -2.386 5.203 357 HD2 ARG 43 HD2 ARG 43 16.081 -3.748 7.049 358 HD3 ARG 43 HD1 ARG 43 14.321 -3.604 7.112 359 HE ARG 43 HE ARG 43 15.272 -5.936 5.737 360 HH11 ARG 43 HH11 ARG 43 14.472 -4.653 8.939 361 HH12 ARG 43 HH12 ARG 43 14.043 -6.166 9.591 362 HH21 ARG 43 HH21 ARG 43 14.630 -8.024 6.634 363 HH22 ARG 43 HH22 ARG 43 14.108 -8.101 8.258 364 H ALA 44 HN ALA 44 14.357 -5.510 1.932 365 HA ALA 44 HA ALA 44 17.077 -5.045 1.410 366 HB1 ALA 44 HB1 ALA 44 16.110 -7.289 1.616 367 HB2 ALA 44 HB2 ALA 44 17.002 -7.102 0.105 368 HB3 ALA 44 HB3 ALA 44 15.239 -7.048 0.103 369 H THR 45 HN THR 45 14.236 -4.802 -0.699 370 HA THR 45 HA THR 45 15.744 -4.196 -3.041 371 HB THR 45 HB THR 45 12.831 -3.545 -2.477 372 HG1 THR 45 HG1 THR 45 12.832 -5.639 -2.213 373 HG21 THR 45 HG21 THR 45 14.327 -4.070 -5.055 374 HG22 THR 45 HG22 THR 45 13.719 -2.503 -4.512 375 HG23 THR 45 HG23 THR 45 12.590 -3.793 -4.924 376 H CYS 46 HN CYS 46 14.220 -2.220 -0.542 377 HA CYS 46 HA CYS 46 14.285 0.272 -1.747 378 HB2 CYS 46 HB2 CYS 46 13.140 -0.191 0.323 379 HB3 CYS 46 HB1 CYS 46 14.646 -0.483 1.137 380 HG CYS 46 HG CYS 46 13.152 2.414 0.412 381 H THR 47 HN THR 47 16.637 -1.233 0.286 382 HA THR 47 HA THR 47 18.436 0.991 0.027 383 HB THR 47 HB THR 47 18.164 -0.361 2.142 384 HG1 THR 47 HG1 THR 47 19.906 0.673 2.452 385 HG21 THR 47 HG21 THR 47 19.841 -2.395 0.659 386 HG22 THR 47 HG22 THR 47 18.158 -2.600 1.137 387 HG23 THR 47 HG23 THR 47 19.411 -2.458 2.369 388 H LEU 48 HN LEU 48 17.726 -1.487 -2.010 389 HA LEU 48 HA LEU 48 20.448 -1.621 -3.080 390 HB2 LEU 48 HB2 LEU 48 18.246 -3.601 -3.043 391 HB3 LEU 48 HB1 LEU 48 19.437 -3.758 -4.291 392 HG LEU 48 HG LEU 48 19.875 -3.899 -1.292 393 HD11 LEU 48 HD11 LEU 48 20.109 -5.976 -3.459 394 HD12 LEU 48 HD12 LEU 48 18.884 -5.893 -2.186 395 HD13 LEU 48 HD13 LEU 48 20.567 -6.203 -1.772 396 HD21 LEU 48 HD21 LEU 48 21.909 -4.084 -3.518 397 HD22 LEU 48 HD22 LEU 48 22.210 -4.489 -1.832 398 HD23 LEU 48 HD23 LEU 48 21.826 -2.830 -2.276 399 H SER 49 HN SER 49 17.130 -1.849 -4.366 400 HA SER 49 HA SER 49 18.175 -0.928 -6.929 401 HB2 SER 49 HB2 SER 49 15.439 -1.966 -6.201 402 HB3 SER 49 HB1 SER 49 16.067 -1.705 -7.832 403 HG SER 49 HG SER 49 16.188 -3.904 -6.601 404 H GLY 50 HN GLY 50 16.846 0.444 -4.211 405 HA2 GLY 50 HA2 GLY 50 16.635 2.831 -4.169 406 HA3 GLY 50 HA1 GLY 50 15.912 2.754 -5.772 407 H ASN 51 HN ASN 51 14.668 4.023 -3.661 408 HA ASN 51 HA ASN 51 12.914 2.238 -2.271 409 HB2 ASN 51 HB2 ASN 51 13.668 4.662 -1.589 410 HB3 ASN 51 HB1 ASN 51 12.312 5.138 -2.607 411 HD21 ASN 51 HD21 ASN 51 10.977 5.828 -1.070 412 HD22 ASN 51 HD22 ASN 51 10.384 4.807 0.168 413 H ARG 52 HN ARG 52 12.756 4.254 -5.067 414 HA ARG 52 HA ARG 52 9.958 4.178 -5.542 415 HB2 ARG 52 HB2 ARG 52 11.440 5.814 -6.612 416 HB3 ARG 52 HB1 ARG 52 12.227 4.529 -7.514 417 HG2 ARG 52 HG2 ARG 52 10.041 4.037 -8.594 418 HG3 ARG 52 HG1 ARG 52 9.384 5.463 -7.794 419 HD2 ARG 52 HD2 ARG 52 10.021 6.061 -10.022 420 HD3 ARG 52 HD1 ARG 52 11.143 6.815 -8.889 421 HE ARG 52 HE ARG 52 12.353 4.468 -9.580 422 HH11 ARG 52 HH11 ARG 52 11.166 7.253 -11.396 423 HH12 ARG 52 HH12 ARG 52 12.294 7.061 -12.670 424 HH21 ARG 52 HH21 ARG 52 13.872 4.227 -11.336 425 HH22 ARG 52 HH22 ARG 52 13.823 5.308 -12.648 426 H ASP 53 HN ASP 53 12.607 2.146 -6.697 427 HA ASP 53 HA ASP 53 11.116 0.432 -8.393 428 HB2 ASP 53 HB2 ASP 53 13.646 0.533 -8.209 429 HB3 ASP 53 HB1 ASP 53 13.508 -0.348 -6.695 430 H THR 54 HN THR 54 11.816 0.454 -5.012 431 HA THR 54 HA THR 54 10.667 -1.988 -4.276 432 HB THR 54 HB THR 54 11.077 0.498 -2.605 433 HG1 THR 54 HG1 THR 54 13.062 -0.053 -3.442 434 HG21 THR 54 HG21 THR 54 11.262 -1.073 -0.749 435 HG22 THR 54 HG22 THR 54 10.999 -2.422 -1.849 436 HG23 THR 54 HG23 THR 54 9.693 -1.280 -1.541 437 H LEU 55 HN LEU 55 9.298 1.213 -4.751 438 HA LEU 55 HA LEU 55 6.817 0.859 -3.565 439 HB2 LEU 55 HB2 LEU 55 7.607 2.481 -5.973 440 HB3 LEU 55 HB1 LEU 55 5.947 2.446 -5.409 441 HG LEU 55 HG LEU 55 8.310 3.378 -3.765 442 HD11 LEU 55 HD11 LEU 55 7.843 5.055 -5.446 443 HD12 LEU 55 HD12 LEU 55 7.062 5.570 -3.912 444 HD13 LEU 55 HD13 LEU 55 6.112 4.854 -5.181 445 HD21 LEU 55 HD21 LEU 55 5.381 3.407 -3.269 446 HD22 LEU 55 HD22 LEU 55 6.657 4.162 -2.304 447 HD23 LEU 55 HD23 LEU 55 6.588 2.403 -2.427 448 H TRP 56 HN TRP 56 7.858 -0.276 -6.730 449 HA TRP 56 HA TRP 56 5.324 -1.205 -7.521 450 HB2 TRP 56 HB2 TRP 56 8.102 -2.063 -8.351 451 HB3 TRP 56 HB1 TRP 56 6.612 -2.558 -9.132 452 HD1 TRP 56 HD1 TRP 56 8.935 0.449 -8.764 453 HE1 TRP 56 HE1 TRP 56 8.318 2.182 -10.566 454 HE3 TRP 56 HE3 TRP 56 4.699 -1.729 -10.526 455 HZ2 TRP 56 HZ2 TRP 56 6.286 2.572 -12.491 456 HZ3 TRP 56 HZ3 TRP 56 3.454 -0.620 -12.360 457 HH2 TRP 56 HH2 TRP 56 4.241 1.485 -13.313 458 H HIS 57 HN HIS 57 7.907 -2.483 -5.596 459 HA HIS 57 HA HIS 57 6.873 -5.168 -5.545 460 HB2 HIS 57 HB2 HIS 57 9.365 -4.408 -5.307 461 HB3 HIS 57 HB1 HIS 57 8.945 -4.084 -3.632 462 HD1 HIS 57 HD1 HIS 57 10.487 -6.635 -5.533 463 HD2 HIS 57 HD2 HIS 57 7.618 -6.622 -2.530 464 HE1 HIS 57 HE1 HIS 57 10.433 -8.969 -4.613 465 H LEU 58 HN LEU 58 6.729 -2.274 -3.616 466 HA LEU 58 HA LEU 58 5.626 -3.186 -1.207 467 HB2 LEU 58 HB2 LEU 58 6.446 -0.909 -1.563 468 HB3 LEU 58 HB1 LEU 58 5.182 -0.617 -2.718 469 HG LEU 58 HG LEU 58 3.506 -0.873 -0.862 470 HD11 LEU 58 HD11 LEU 58 4.283 -0.664 1.438 471 HD12 LEU 58 HD12 LEU 58 5.951 -0.820 0.890 472 HD13 LEU 58 HD13 LEU 58 4.828 -2.162 0.691 473 HD21 LEU 58 HD21 LEU 58 3.928 1.336 0.106 474 HD22 LEU 58 HD22 LEU 58 4.186 1.321 -1.641 475 HD23 LEU 58 HD23 LEU 58 5.566 1.303 -0.545 476 H PHE 59 HN PHE 59 4.042 -1.891 -4.048 477 HA PHE 59 HA PHE 59 1.472 -2.616 -3.155 478 HB2 PHE 59 HB2 PHE 59 2.513 -1.762 -5.843 479 HB3 PHE 59 HB1 PHE 59 0.823 -2.192 -5.642 480 HD1 PHE 59 HD1 PHE 59 -0.602 -0.893 -4.089 481 HD2 PHE 59 HD2 PHE 59 3.355 0.331 -5.054 482 HE1 PHE 59 HE1 PHE 59 -1.098 1.359 -3.239 483 HE2 PHE 59 HE2 PHE 59 2.860 2.599 -4.203 484 HZ PHE 59 HZ PHE 59 0.635 3.106 -3.298 485 H ASN 60 HN ASN 60 3.930 -4.455 -4.495 486 HA ASN 60 HA ASN 60 2.285 -6.604 -5.454 487 HB2 ASN 60 HB2 ASN 60 4.416 -6.384 -6.527 488 HB3 ASN 60 HB1 ASN 60 5.251 -6.339 -4.980 489 HD21 ASN 60 HD21 ASN 60 5.784 -8.227 -3.978 490 HD22 ASN 60 HD22 ASN 60 5.592 -9.779 -4.689 491 H THR 61 HN THR 61 4.252 -6.016 -2.485 492 HA THR 61 HA THR 61 3.566 -8.551 -1.425 493 HB THR 61 HB THR 61 4.457 -7.438 0.744 494 HG1 THR 61 HG1 THR 61 5.826 -5.622 0.186 495 HG21 THR 61 HG21 THR 61 5.747 -9.038 -0.551 496 HG22 THR 61 HG22 THR 61 6.800 -7.710 -0.056 497 HG23 THR 61 HG23 THR 61 6.183 -7.787 -1.710 498 H LEU 62 HN LEU 62 2.297 -5.307 -1.065 499 HA LEU 62 HA LEU 62 0.494 -5.758 0.979 500 HB2 LEU 62 HB2 LEU 62 0.652 -3.840 -1.267 501 HB3 LEU 62 HB1 LEU 62 -0.874 -3.971 -0.423 502 HG LEU 62 HG LEU 62 0.149 -3.297 1.654 503 HD11 LEU 62 HD11 LEU 62 2.483 -2.626 1.810 504 HD12 LEU 62 HD12 LEU 62 2.747 -3.194 0.160 505 HD13 LEU 62 HD13 LEU 62 2.304 -4.340 1.427 506 HD21 LEU 62 HD21 LEU 62 -0.604 -1.579 0.154 507 HD22 LEU 62 HD22 LEU 62 0.986 -1.526 -0.616 508 HD23 LEU 62 HD23 LEU 62 0.799 -1.039 1.072 509 H GLN 63 HN GLN 63 -0.052 -6.144 -2.515 510 HA GLN 63 HA GLN 63 -2.771 -6.891 -2.234 511 HB2 GLN 63 HB2 GLN 63 -2.674 -7.634 -4.551 512 HB3 GLN 63 HB1 GLN 63 -1.862 -6.091 -4.378 513 HG2 GLN 63 HG2 GLN 63 0.299 -7.287 -4.339 514 HG3 GLN 63 HG1 GLN 63 -0.566 -8.798 -4.599 515 HE21 GLN 63 HE21 GLN 63 0.443 -5.834 -5.953 516 HE22 GLN 63 HE22 GLN 63 0.129 -6.195 -7.602 517 H ARG 64 HN ARG 64 0.147 -8.662 -1.887 518 HA ARG 64 HA ARG 64 -0.857 -11.304 -2.102 519 HB2 ARG 64 HB2 ARG 64 1.576 -10.050 -0.881 520 HB3 ARG 64 HB1 ARG 64 1.244 -11.763 -0.671 521 HG2 ARG 64 HG2 ARG 64 1.450 -12.183 -2.972 522 HG3 ARG 64 HG1 ARG 64 1.335 -10.479 -3.363 523 HD2 ARG 64 HD2 ARG 64 3.658 -11.704 -3.388 524 HD3 ARG 64 HD1 ARG 64 3.524 -10.042 -2.848 525 HE ARG 64 HE ARG 64 3.488 -11.036 -0.526 526 HH11 ARG 64 HH11 ARG 64 5.034 -12.902 -3.118 527 HH12 ARG 64 HH12 ARG 64 6.319 -13.429 -2.146 528 HH21 ARG 64 HH21 ARG 64 5.191 -11.682 0.735 529 HH22 ARG 64 HH22 ARG 64 6.445 -12.706 0.175 530 H ARG 65 HN ARG 65 -1.106 -8.884 0.324 531 HA ARG 65 HA ARG 65 -1.794 -10.882 2.367 532 HB2 ARG 65 HB2 ARG 65 -1.124 -7.960 2.772 533 HB3 ARG 65 HB1 ARG 65 -1.251 -9.199 4.003 534 HG2 ARG 65 HG2 ARG 65 0.879 -9.191 1.861 535 HG3 ARG 65 HG1 ARG 65 1.075 -8.427 3.428 536 HD2 ARG 65 HD2 ARG 65 2.169 -10.617 3.363 537 HD3 ARG 65 HD1 ARG 65 0.849 -10.613 4.521 538 HE ARG 65 HE ARG 65 -0.442 -11.751 2.743 539 HH11 ARG 65 HH11 ARG 65 3.119 -12.092 2.672 540 HH12 ARG 65 HH12 ARG 65 3.078 -13.658 2.031 541 HH21 ARG 65 HH21 ARG 65 -0.455 -13.885 1.759 542 HH22 ARG 65 HH22 ARG 65 1.016 -14.683 1.482 543 HA PRO 66 HA PRO 66 -5.901 -9.302 1.232 544 HB2 PRO 66 HB2 PRO 66 -6.807 -11.379 3.130 545 HB3 PRO 66 HB1 PRO 66 -7.229 -11.172 1.428 546 HG2 PRO 66 HG2 PRO 66 -5.632 -13.169 2.237 547 HG3 PRO 66 HG1 PRO 66 -5.375 -12.345 0.690 548 HD2 PRO 66 HD2 PRO 66 -3.923 -11.986 3.286 549 HD3 PRO 66 HD1 PRO 66 -3.284 -12.059 1.629 550 H GLY 67 HN GLY 67 -6.162 -7.423 2.232 551 HA2 GLY 67 HA2 GLY 67 -7.304 -6.254 4.007 552 HA3 GLY 67 HA1 GLY 67 -6.622 -7.432 5.134 553 H TRP 68 HN TRP 68 -5.670 -5.003 2.770 554 HA TRP 68 HA TRP 68 -3.335 -4.507 4.452 555 HB2 TRP 68 HB2 TRP 68 -2.097 -3.821 2.435 556 HB3 TRP 68 HB1 TRP 68 -2.486 -5.527 2.429 557 HD1 TRP 68 HD1 TRP 68 -4.261 -6.332 0.568 558 HE1 TRP 68 HE1 TRP 68 -4.984 -5.294 -1.678 559 HE3 TRP 68 HE3 TRP 68 -2.521 -1.579 1.262 560 HZ2 TRP 68 HZ2 TRP 68 -4.832 -2.808 -2.974 561 HZ3 TRP 68 HZ3 TRP 68 -2.845 0.070 -0.535 562 HH2 TRP 68 HH2 TRP 68 -3.975 -0.535 -2.612 563 H VAL 69 HN VAL 69 -5.915 -3.118 2.536 564 HA VAL 69 HA VAL 69 -4.878 -0.539 2.257 565 HB VAL 69 HB VAL 69 -7.807 -1.302 2.434 566 HG11 VAL 69 HG11 VAL 69 -7.484 1.104 2.786 567 HG12 VAL 69 HG12 VAL 69 -8.223 0.792 1.214 568 HG13 VAL 69 HG13 VAL 69 -6.511 1.191 1.317 569 HG21 VAL 69 HG21 VAL 69 -6.626 -2.457 0.646 570 HG22 VAL 69 HG22 VAL 69 -5.999 -0.920 0.057 571 HG23 VAL 69 HG23 VAL 69 -7.729 -1.247 -0.011 572 H GLU 70 HN GLU 70 -6.875 -1.819 4.832 573 HA GLU 70 HA GLU 70 -7.216 0.580 6.224 574 HB2 GLU 70 HB2 GLU 70 -7.738 -0.864 8.195 575 HB3 GLU 70 HB1 GLU 70 -8.608 -1.256 6.717 576 HG2 GLU 70 HG2 GLU 70 -7.136 -3.138 6.318 577 HG3 GLU 70 HG1 GLU 70 -6.215 -2.740 7.766 578 H TYR 71 HN TYR 71 -4.662 -1.863 6.552 579 HA TYR 71 HA TYR 71 -3.381 -0.500 8.671 580 HB2 TYR 71 HB2 TYR 71 -2.298 -2.644 6.824 581 HB3 TYR 71 HB1 TYR 71 -1.577 -2.045 8.282 582 HD1 TYR 71 HD1 TYR 71 -2.526 -2.542 10.496 583 HD2 TYR 71 HD2 TYR 71 -4.157 -4.242 6.957 584 HE1 TYR 71 HE1 TYR 71 -3.706 -4.217 11.853 585 HE2 TYR 71 HE2 TYR 71 -5.344 -5.925 8.307 586 HH TYR 71 HH TYR 71 -5.507 -5.665 11.752 587 H PHE 72 HN PHE 72 -3.200 -0.498 5.203 588 HA PHE 72 HA PHE 72 -0.714 0.761 4.904 589 HB2 PHE 72 HB2 PHE 72 -1.996 -0.430 3.100 590 HB3 PHE 72 HB1 PHE 72 -3.083 0.944 3.037 591 HD1 PHE 72 HD2 PHE 72 0.629 0.507 3.102 592 HD2 PHE 72 HD1 PHE 72 -2.742 2.229 1.157 593 HE1 PHE 72 HE2 PHE 72 2.122 1.556 1.453 594 HE2 PHE 72 HE1 PHE 72 -1.257 3.279 -0.498 595 HZ PHE 72 HZ PHE 72 1.179 2.944 -0.355 596 H ILE 73 HN ILE 73 -3.956 2.069 5.257 597 HA ILE 73 HA ILE 73 -3.329 4.791 4.955 598 HB ILE 73 HB ILE 73 -5.384 3.591 6.850 599 HG12 ILE 73 HG12 ILE 73 -5.728 4.548 4.004 600 HG13 ILE 73 HG11 ILE 73 -5.586 2.858 4.466 601 HG21 ILE 73 HG21 ILE 73 -4.924 5.944 7.321 602 HG22 ILE 73 HG22 ILE 73 -6.525 5.782 6.588 603 HG23 ILE 73 HG23 ILE 73 -5.153 6.340 5.622 604 HD11 ILE 73 HD11 ILE 73 -7.884 3.508 4.058 605 HD12 ILE 73 HD12 ILE 73 -7.756 4.743 5.313 606 HD13 ILE 73 HD13 ILE 73 -7.643 3.037 5.741 607 H ALA 74 HN ALA 74 -3.224 2.681 7.759 608 HA ALA 74 HA ALA 74 -2.397 4.653 9.625 609 HB1 ALA 74 HB1 ALA 74 -3.537 2.591 10.305 610 HB2 ALA 74 HB2 ALA 74 -1.984 2.771 11.123 611 HB3 ALA 74 HB3 ALA 74 -2.143 1.651 9.773 612 H ALA 75 HN ALA 75 -0.772 2.671 7.340 613 HA ALA 75 HA ALA 75 1.822 2.827 8.466 614 HB1 ALA 75 HB1 ALA 75 1.001 2.237 5.617 615 HB2 ALA 75 HB2 ALA 75 1.239 1.036 6.891 616 HB3 ALA 75 HB3 ALA 75 2.595 1.996 6.312 617 H LEU 76 HN LEU 76 0.279 4.654 5.709 618 HA LEU 76 HA LEU 76 2.401 6.410 5.356 619 HB2 LEU 76 HB2 LEU 76 -0.542 6.624 4.843 620 HB3 LEU 76 HB1 LEU 76 0.556 7.926 4.463 621 HG LEU 76 HG LEU 76 -0.028 6.706 2.551 622 HD11 LEU 76 HD11 LEU 76 2.218 7.619 2.610 623 HD12 LEU 76 HD12 LEU 76 2.202 6.123 1.679 624 HD13 LEU 76 HD13 LEU 76 2.829 6.127 3.327 625 HD21 LEU 76 HD21 LEU 76 -0.555 4.566 3.442 626 HD22 LEU 76 HD22 LEU 76 1.137 4.271 3.832 627 HD23 LEU 76 HD23 LEU 76 0.626 4.391 2.144 628 H ARG 77 HN ARG 77 -0.379 6.510 7.469 629 HA ARG 77 HA ARG 77 0.167 9.144 8.405 630 HB2 ARG 77 HB2 ARG 77 -2.064 8.019 8.337 631 HB3 ARG 77 HB1 ARG 77 -1.535 6.995 9.647 632 HG2 ARG 77 HG2 ARG 77 -1.467 8.791 11.175 633 HG3 ARG 77 HG1 ARG 77 -1.635 9.989 9.888 634 HD2 ARG 77 HD2 ARG 77 -3.751 9.628 11.119 635 HD3 ARG 77 HD1 ARG 77 -3.877 9.229 9.408 636 HE ARG 77 HE ARG 77 -3.306 7.078 11.276 637 HH11 ARG 77 HH11 ARG 77 -5.724 8.683 9.193 638 HH12 ARG 77 HH12 ARG 77 -6.819 7.396 9.220 639 HH21 ARG 77 HH21 ARG 77 -4.865 5.282 11.309 640 HH22 ARG 77 HH22 ARG 77 -6.316 5.420 10.439 641 H GLY 78 HN GLY 78 1.251 6.016 9.177 642 HA2 GLY 78 HA2 GLY 78 2.285 6.546 11.788 643 HA3 GLY 78 HA1 GLY 78 2.691 5.164 10.773 644 H CYS 79 HN CYS 79 3.702 6.497 8.538 645 HA CYS 79 HA CYS 79 6.221 7.464 9.569 646 HB2 CYS 79 HB2 CYS 79 6.817 7.659 7.100 647 HB3 CYS 79 HB1 CYS 79 6.426 6.037 7.649 648 HG CYS 79 HG CYS 79 4.030 5.853 6.448 649 H GLU 80 HN GLU 80 3.374 8.734 9.236 650 HA GLU 80 HA GLU 80 2.471 10.690 9.473 651 HB2 GLU 80 HB2 GLU 80 5.286 11.517 10.089 652 HB3 GLU 80 HB1 GLU 80 3.904 12.609 10.254 653 HG2 GLU 80 HG2 GLU 80 2.852 11.084 11.812 654 HG3 GLU 80 HG1 GLU 80 4.166 9.936 11.611 655 H LEU 81 HN LEU 81 3.233 9.821 6.879 656 HA LEU 81 HA LEU 81 3.179 12.388 5.515 657 HB2 LEU 81 HB2 LEU 81 3.301 9.553 4.427 658 HB3 LEU 81 HB1 LEU 81 3.208 10.983 3.421 659 HG LEU 81 HG LEU 81 5.499 10.341 5.290 660 HD11 LEU 81 HD11 LEU 81 5.310 10.127 2.289 661 HD12 LEU 81 HD12 LEU 81 5.423 8.782 3.420 662 HD13 LEU 81 HD13 LEU 81 6.770 9.902 3.246 663 HD21 LEU 81 HD21 LEU 81 6.639 12.169 4.126 664 HD22 LEU 81 HD22 LEU 81 5.195 12.737 4.959 665 HD23 LEU 81 HD23 LEU 81 5.171 12.505 3.212 666 H VAL 82 HN VAL 82 1.288 12.974 6.419 667 HA VAL 82 HA VAL 82 -0.987 11.333 6.654 668 HB VAL 82 HB VAL 82 -0.832 14.343 6.846 669 HG11 VAL 82 HG11 VAL 82 -2.838 14.169 8.247 670 HG12 VAL 82 HG12 VAL 82 -2.883 12.431 7.965 671 HG13 VAL 82 HG13 VAL 82 -3.136 13.546 6.623 672 HG21 VAL 82 HG21 VAL 82 -0.591 13.981 9.256 673 HG22 VAL 82 HG22 VAL 82 0.746 13.263 8.357 674 HG23 VAL 82 HG23 VAL 82 -0.543 12.240 8.988 675 H ASP 83 HN ASP 83 0.061 13.528 4.171 676 HA ASP 83 HA ASP 83 -2.433 13.935 2.915 677 HB2 ASP 83 HB2 ASP 83 0.322 13.894 1.668 678 HB3 ASP 83 HB1 ASP 83 -1.132 14.406 0.831 679 H LEU 84 HN LEU 84 0.058 11.533 2.363 680 HA LEU 84 HA LEU 84 -1.355 10.176 0.319 681 HB2 LEU 84 HB2 LEU 84 0.892 9.278 2.101 682 HB3 LEU 84 HB1 LEU 84 0.295 8.356 0.737 683 HG LEU 84 HG LEU 84 1.518 11.116 0.514 684 HD11 LEU 84 HD11 LEU 84 3.165 9.519 1.266 685 HD12 LEU 84 HD12 LEU 84 3.446 9.933 -0.429 686 HD13 LEU 84 HD13 LEU 84 2.690 8.399 -0.006 687 HD21 LEU 84 HD21 LEU 84 1.630 10.594 -1.858 688 HD22 LEU 84 HD22 LEU 84 -0.045 10.554 -1.299 689 HD23 LEU 84 HD23 LEU 84 0.845 9.048 -1.564 690 H ALA 85 HN ALA 85 -1.290 9.892 3.799 691 HA ALA 85 HA ALA 85 -2.701 7.440 4.006 692 HB1 ALA 85 HB1 ALA 85 -1.495 8.431 5.916 693 HB2 ALA 85 HB2 ALA 85 -3.187 8.128 6.314 694 HB3 ALA 85 HB3 ALA 85 -2.648 9.765 5.945 695 H ASP 86 HN ASP 86 -3.713 10.818 4.014 696 HA ASP 86 HA ASP 86 -6.473 10.442 4.231 697 HB2 ASP 86 HB2 ASP 86 -5.503 12.616 4.580 698 HB3 ASP 86 HB1 ASP 86 -4.867 12.648 2.945 699 H GLU 87 HN GLU 87 -4.349 10.586 1.391 700 HA GLU 87 HA GLU 87 -6.206 10.472 -0.597 701 HB2 GLU 87 HB2 GLU 87 -3.460 9.287 -0.368 702 HB3 GLU 87 HB1 GLU 87 -4.403 9.279 -1.842 703 HG2 GLU 87 HG2 GLU 87 -3.441 11.699 -0.343 704 HG3 GLU 87 HG1 GLU 87 -2.806 11.097 -1.875 705 H VAL 88 HN VAL 88 -4.666 7.759 1.118 706 HA VAL 88 HA VAL 88 -6.127 5.781 -0.309 707 HB VAL 88 HB VAL 88 -4.778 5.472 2.392 708 HG11 VAL 88 HG11 VAL 88 -4.615 3.102 1.806 709 HG12 VAL 88 HG12 VAL 88 -5.468 3.413 0.293 710 HG13 VAL 88 HG13 VAL 88 -6.295 3.634 1.832 711 HG21 VAL 88 HG21 VAL 88 -3.644 5.045 -0.362 712 HG22 VAL 88 HG22 VAL 88 -2.836 4.652 1.155 713 HG23 VAL 88 HG23 VAL 88 -3.206 6.331 0.761 714 H ALA 89 HN ALA 89 -6.581 7.394 2.789 715 HA ALA 89 HA ALA 89 -8.722 5.889 3.770 716 HB1 ALA 89 HB1 ALA 89 -8.190 8.820 4.227 717 HB2 ALA 89 HB2 ALA 89 -7.449 7.497 5.127 718 HB3 ALA 89 HB3 ALA 89 -9.187 7.773 5.237 719 H SER 90 HN SER 90 -8.711 8.660 1.604 720 HA SER 90 HA SER 90 -11.516 8.925 1.485 721 HB2 SER 90 HB2 SER 90 -9.369 9.797 -0.445 722 HB3 SER 90 HB1 SER 90 -11.038 10.380 -0.452 723 HG SER 90 HG SER 90 -8.939 11.145 1.082 724 H VAL 91 HN VAL 91 -9.204 7.015 -0.366 725 HA VAL 91 HA VAL 91 -11.100 6.204 -2.335 726 HB VAL 91 HB VAL 91 -8.465 4.884 -1.570 727 HG11 VAL 91 HG11 VAL 91 -9.907 3.348 -2.799 728 HG12 VAL 91 HG12 VAL 91 -8.558 3.871 -3.814 729 HG13 VAL 91 HG13 VAL 91 -10.161 4.570 -4.044 730 HG21 VAL 91 HG21 VAL 91 -8.161 7.178 -2.306 731 HG22 VAL 91 HG22 VAL 91 -9.118 6.850 -3.751 732 HG23 VAL 91 HG23 VAL 91 -7.564 6.056 -3.529 733 H TYR 92 HN TYR 92 -9.945 4.827 0.697 734 HA TYR 92 HA TYR 92 -11.518 2.441 0.482 735 HB2 TYR 92 HB2 TYR 92 -9.393 2.685 1.840 736 HB3 TYR 92 HB1 TYR 92 -10.305 3.656 2.979 737 HD1 TYR 92 HD2 TYR 92 -10.491 0.307 1.330 738 HD2 TYR 92 HD1 TYR 92 -11.125 2.585 4.843 739 HE1 TYR 92 HE2 TYR 92 -11.092 -1.756 2.538 740 HE2 TYR 92 HE1 TYR 92 -11.729 0.528 6.082 741 HH TYR 92 HH TYR 92 -12.615 -1.811 5.518 742 H GLN 93 HN GLN 93 -12.197 5.609 1.258 743 HA GLN 93 HA GLN 93 -14.537 5.206 2.853 744 HB2 GLN 93 HB2 GLN 93 -13.388 7.378 2.818 745 HB3 GLN 93 HB1 GLN 93 -13.711 7.538 1.105 746 HG2 GLN 93 HG2 GLN 93 -16.097 7.694 1.555 747 HG3 GLN 93 HG1 GLN 93 -15.794 7.491 3.278 748 HE21 GLN 93 HE21 GLN 93 -15.559 9.643 0.571 749 HE22 GLN 93 HE22 GLN 93 -15.210 11.065 1.473 750 H SER 94 HN SER 94 -13.778 5.273 -0.543 751 HA SER 94 HA SER 94 -16.498 5.242 -1.458 752 HB2 SER 94 HB2 SER 94 -13.941 4.521 -2.914 753 HB3 SER 94 HB1 SER 94 -15.508 4.837 -3.655 754 HG SER 94 HG SER 94 -14.707 6.857 -2.023 755 H TYR 95 HN TYR 95 -13.881 2.940 -0.934 756 HA TYR 95 HA TYR 95 -15.656 0.734 -1.694 757 HB2 TYR 95 HB2 TYR 95 -12.636 0.709 -1.496 758 HB3 TYR 95 HB1 TYR 95 -13.684 -0.543 -2.145 759 HD1 TYR 95 HD1 TYR 95 -15.147 0.116 -4.194 760 HD2 TYR 95 HD2 TYR 95 -11.691 2.238 -2.948 761 HE1 TYR 95 HE1 TYR 95 -14.930 1.085 -6.447 762 HE2 TYR 95 HE2 TYR 95 -11.464 3.208 -5.192 763 HH TYR 95 HH TYR 95 -12.126 2.778 -7.448 764 H GLN 96 HN GLN 96 -16.752 0.646 0.177 765 HA GLN 96 HA GLN 96 -17.343 -0.123 2.171 766 HB2 GLN 96 HB2 GLN 96 -14.951 -1.903 1.796 767 HB3 GLN 96 HB1 GLN 96 -16.168 -2.125 3.046 768 HG2 GLN 96 HG2 GLN 96 -17.877 -2.448 1.366 769 HG3 GLN 96 HG1 GLN 96 -16.700 -2.144 0.087 770 HE21 GLN 96 HE21 GLN 96 -17.072 -4.185 -0.801 771 HE22 GLN 96 HE22 GLN 96 -16.479 -5.621 -0.055 772 HA PRO 97 HA PRO 97 -14.531 2.704 4.458 773 HB2 PRO 97 HB2 PRO 97 -16.455 4.114 5.685 774 HB3 PRO 97 HB1 PRO 97 -16.060 4.390 3.981 775 HG2 PRO 97 HG2 PRO 97 -18.181 2.633 5.145 776 HG3 PRO 97 HG1 PRO 97 -18.415 3.925 3.969 777 HD2 PRO 97 HD2 PRO 97 -18.224 1.414 3.158 778 HD3 PRO 97 HD1 PRO 97 -17.339 2.662 2.252 779 H ARG 98 HN ARG 98 -17.051 0.555 5.512 780 HA ARG 98 HA ARG 98 -16.002 0.665 8.245 781 HB2 ARG 98 HB2 ARG 98 -18.774 -0.071 7.302 782 HB3 ARG 98 HB1 ARG 98 -18.211 -0.076 8.959 783 HG2 ARG 98 HG2 ARG 98 -18.475 2.359 7.192 784 HG3 ARG 98 HG1 ARG 98 -19.596 1.869 8.461 785 HD2 ARG 98 HD2 ARG 98 -17.723 2.052 10.097 786 HD3 ARG 98 HD1 ARG 98 -16.724 2.712 8.801 787 HE ARG 98 HE ARG 98 -19.209 4.075 9.138 788 HH11 ARG 98 HH11 ARG 98 -15.834 3.993 10.187 789 HH12 ARG 98 HH12 ARG 98 -15.859 5.515 10.910 790 HH21 ARG 98 HH21 ARG 98 -19.265 6.168 10.113 791 HH22 ARG 98 HH22 ARG 98 -17.878 6.815 10.851 792 H THR 99 HN THR 99 -15.618 -0.977 5.594 793 HA THR 99 HA THR 99 -15.098 -3.072 4.947 794 HB THR 99 HB THR 99 -15.036 -3.775 7.898 795 HG1 THR 99 HG1 THR 99 -13.034 -2.902 7.947 796 HG21 THR 99 HG21 THR 99 -14.907 -5.689 6.337 797 HG22 THR 99 HG22 THR 99 -13.392 -5.448 7.200 798 HG23 THR 99 HG23 THR 99 -13.541 -4.922 5.521 799 H SER 100 HN SER 100 -16.783 -4.022 3.882 800 HA SER 100 HA SER 100 -19.137 -4.730 5.405 801 HB2 SER 100 HB2 SER 100 -18.648 -4.750 2.415 802 HB3 SER 100 HB1 SER 100 -20.195 -5.057 3.208 803 HG SER 100 HG SER 100 -18.710 -2.673 3.556 Start of MODEL 13 1 H1 GLY -1 HT1 GLY -1 -7.029 -9.297 -1.944 2 H2 GLY -1 HT2 GLY -1 -5.535 -9.039 -1.217 3 H3 GLY -1 HT3 GLY -1 -6.928 -9.312 -0.269 4 HA2 GLY -1 HA1 GLY -1 -5.733 -11.285 -2.108 5 HA3 GLY -1 HA2 GLY -1 -5.502 -11.263 -0.362 6 H SER 0 HN SER 0 -6.838 -13.173 -2.285 7 HA SER 0 HA SER 0 -8.477 -14.666 -2.243 8 HB2 SER 0 HB2 SER 0 -8.064 -14.881 0.162 9 HB3 SER 0 HB1 SER 0 -9.125 -13.512 0.483 10 HG SER 0 HG SER 0 -9.778 -16.083 -0.478 11 H MET 1 HN MET 1 -10.094 -12.006 -0.739 12 HA MET 1 HA MET 1 -11.975 -11.863 -2.981 13 HB2 MET 1 HB2 MET 1 -12.865 -12.068 -0.108 14 HB3 MET 1 HB1 MET 1 -13.910 -11.838 -1.499 15 HG2 MET 1 HG2 MET 1 -13.308 -14.054 -2.314 16 HG3 MET 1 HG1 MET 1 -12.233 -14.275 -0.943 17 HE1 MET 1 HE1 MET 1 -14.405 -16.410 -1.652 18 HE2 MET 1 HE2 MET 1 -15.102 -16.748 -0.069 19 HE3 MET 1 HE3 MET 1 -13.359 -16.533 -0.237 20 HA PRO 2 HA PRO 2 -10.930 -7.680 -1.245 21 HB2 PRO 2 HB2 PRO 2 -9.702 -6.650 -3.371 22 HB3 PRO 2 HB1 PRO 2 -8.829 -7.707 -2.261 23 HG2 PRO 2 HG2 PRO 2 -10.072 -8.386 -4.905 24 HG3 PRO 2 HG1 PRO 2 -8.477 -8.842 -4.284 25 HD2 PRO 2 HD2 PRO 2 -10.645 -10.554 -4.136 26 HD3 PRO 2 HD1 PRO 2 -9.346 -10.537 -2.957 27 H PHE 3 HN PHE 3 -12.283 -6.001 -1.533 28 HA PHE 3 HA PHE 3 -13.788 -5.874 -4.058 29 HB2 PHE 3 HB2 PHE 3 -15.266 -6.746 -2.259 30 HB3 PHE 3 HB1 PHE 3 -14.891 -5.335 -1.278 31 HD1 PHE 3 HD1 PHE 3 -16.613 -6.518 -4.303 32 HD2 PHE 3 HD2 PHE 3 -16.003 -3.244 -1.651 33 HE1 PHE 3 HE1 PHE 3 -18.518 -5.339 -5.322 34 HE2 PHE 3 HE2 PHE 3 -17.903 -2.060 -2.669 35 HZ PHE 3 HZ PHE 3 -19.163 -3.108 -4.507 36 H ALA 4 HN ALA 4 -13.218 -4.084 -1.095 37 HA ALA 4 HA ALA 4 -13.226 -1.578 -2.491 38 HB1 ALA 4 HB1 ALA 4 -12.703 -0.677 -0.254 39 HB2 ALA 4 HB2 ALA 4 -12.667 -2.330 0.374 40 HB3 ALA 4 HB3 ALA 4 -14.157 -1.649 -0.297 41 H GLU 5 HN GLU 5 -10.972 -3.799 -1.060 42 HA GLU 5 HA GLU 5 -8.685 -2.167 -1.104 43 HB2 GLU 5 HB2 GLU 5 -8.638 -5.175 -1.303 44 HB3 GLU 5 HB1 GLU 5 -7.459 -4.121 -0.540 45 HG2 GLU 5 HG2 GLU 5 -8.497 -4.848 1.364 46 HG3 GLU 5 HG1 GLU 5 -9.579 -3.532 0.967 47 H ASP 6 HN ASP 6 -10.140 -4.335 -3.408 48 HA ASP 6 HA ASP 6 -7.997 -4.411 -5.281 49 HB2 ASP 6 HB2 ASP 6 -9.808 -6.090 -5.314 50 HB3 ASP 6 HB1 ASP 6 -10.961 -4.834 -5.759 51 H LYS 7 HN LYS 7 -10.825 -2.393 -4.896 52 HA LYS 7 HA LYS 7 -10.394 -0.856 -7.247 53 HB2 LYS 7 HB2 LYS 7 -12.004 -0.170 -4.792 54 HB3 LYS 7 HB1 LYS 7 -12.070 0.676 -6.333 55 HG2 LYS 7 HG2 LYS 7 -12.829 -1.412 -7.403 56 HG3 LYS 7 HG1 LYS 7 -12.859 -2.177 -5.814 57 HD2 LYS 7 HD2 LYS 7 -14.443 -0.453 -5.061 58 HD3 LYS 7 HD1 LYS 7 -14.446 0.204 -6.700 59 HE2 LYS 7 HE2 LYS 7 -15.337 -2.561 -5.878 60 HE3 LYS 7 HE1 LYS 7 -16.387 -1.227 -6.354 61 HZ1 LYS 7 HZ1 LYS 7 -15.277 -1.306 -8.577 62 HZ2 LYS 7 HZ2 LYS 7 -16.123 -2.700 -8.174 63 HZ3 LYS 7 HZ3 LYS 7 -14.461 -2.697 -8.064 64 H THR 8 HN THR 8 -9.474 -0.538 -3.879 65 HA THR 8 HA THR 8 -8.419 2.052 -3.994 66 HB THR 8 HB THR 8 -7.528 -0.253 -2.224 67 HG1 THR 8 HG1 THR 8 -9.790 0.244 -2.017 68 HG21 THR 8 HG21 THR 8 -7.269 2.740 -1.847 69 HG22 THR 8 HG22 THR 8 -5.946 1.636 -2.219 70 HG23 THR 8 HG23 THR 8 -6.793 1.513 -0.675 71 H TYR 9 HN TYR 9 -6.935 -1.120 -4.568 72 HA TYR 9 HA TYR 9 -4.319 -0.317 -5.061 73 HB2 TYR 9 HB2 TYR 9 -4.963 -2.681 -4.885 74 HB3 TYR 9 HB1 TYR 9 -5.885 -2.558 -6.373 75 HD1 TYR 9 HD2 TYR 9 -2.461 -2.549 -4.963 76 HD2 TYR 9 HD1 TYR 9 -4.814 -2.785 -8.500 77 HE1 TYR 9 HE2 TYR 9 -0.475 -3.254 -6.248 78 HE2 TYR 9 HE1 TYR 9 -2.836 -3.483 -9.775 79 HH TYR 9 HH TYR 9 0.011 -4.511 -8.305 80 H LYS 10 HN LYS 10 -7.044 -0.547 -7.297 81 HA LYS 10 HA LYS 10 -5.606 0.344 -9.575 82 HB2 LYS 10 HB2 LYS 10 -8.563 0.241 -9.008 83 HB3 LYS 10 HB1 LYS 10 -7.883 0.662 -10.573 84 HG2 LYS 10 HG2 LYS 10 -6.858 -1.533 -10.742 85 HG3 LYS 10 HG1 LYS 10 -7.461 -1.952 -9.137 86 HD2 LYS 10 HD2 LYS 10 -9.743 -1.788 -9.903 87 HD3 LYS 10 HD1 LYS 10 -9.201 -1.211 -11.481 88 HE2 LYS 10 HE2 LYS 10 -9.824 -3.578 -11.554 89 HE3 LYS 10 HE1 LYS 10 -8.111 -3.350 -11.900 90 HZ1 LYS 10 HZ1 LYS 10 -9.269 -4.270 -9.309 91 HZ2 LYS 10 HZ2 LYS 10 -7.627 -4.019 -9.607 92 HZ3 LYS 10 HZ3 LYS 10 -8.462 -5.203 -10.440 93 H TYR 11 HN TYR 11 -7.250 2.016 -7.016 94 HA TYR 11 HA TYR 11 -7.463 4.555 -8.282 95 HB2 TYR 11 HB2 TYR 11 -8.754 3.787 -6.221 96 HB3 TYR 11 HB1 TYR 11 -7.254 3.893 -5.355 97 HD1 TYR 11 HD1 TYR 11 -9.316 6.118 -7.545 98 HD2 TYR 11 HD2 TYR 11 -6.854 5.757 -4.097 99 HE1 TYR 11 HE1 TYR 11 -9.737 8.477 -7.000 100 HE2 TYR 11 HE2 TYR 11 -7.264 8.113 -3.546 101 HH TYR 11 HH TYR 11 -7.962 10.127 -4.554 102 H ILE 12 HN ILE 12 -5.107 2.925 -6.325 103 HA ILE 12 HA ILE 12 -3.460 5.286 -6.082 104 HB ILE 12 HB ILE 12 -3.067 2.466 -5.055 105 HG12 ILE 12 HG12 ILE 12 -5.059 3.544 -4.148 106 HG13 ILE 12 HG11 ILE 12 -3.830 3.367 -2.886 107 HG21 ILE 12 HG21 ILE 12 -1.412 3.389 -3.535 108 HG22 ILE 12 HG22 ILE 12 -1.582 4.975 -4.291 109 HG23 ILE 12 HG23 ILE 12 -0.927 3.619 -5.215 110 HD11 ILE 12 HD11 ILE 12 -5.004 5.491 -2.760 111 HD12 ILE 12 HD12 ILE 12 -4.519 5.882 -4.406 112 HD13 ILE 12 HD13 ILE 12 -3.300 5.745 -3.136 113 H CYS 13 HN CYS 13 -3.295 2.212 -7.793 114 HA CYS 13 HA CYS 13 -0.662 2.388 -8.705 115 HB2 CYS 13 HB2 CYS 13 -2.135 0.381 -8.841 116 HB3 CYS 13 HB1 CYS 13 -3.025 1.157 -10.135 117 HG CYS 13 HG CYS 13 -0.579 1.308 -11.751 118 H ARG 14 HN ARG 14 -3.561 3.954 -9.842 119 HA ARG 14 HA ARG 14 -2.558 4.702 -12.401 120 HB2 ARG 14 HB2 ARG 14 -4.485 6.100 -12.573 121 HB3 ARG 14 HB1 ARG 14 -4.994 4.522 -11.938 122 HG2 ARG 14 HG2 ARG 14 -5.050 5.607 -9.704 123 HG3 ARG 14 HG1 ARG 14 -4.629 7.131 -10.480 124 HD2 ARG 14 HD2 ARG 14 -6.983 7.123 -10.166 125 HD3 ARG 14 HD1 ARG 14 -6.683 6.874 -11.883 126 HE ARG 14 HE ARG 14 -6.996 4.457 -10.357 127 HH11 ARG 14 HH11 ARG 14 -8.551 6.839 -12.447 128 HH12 ARG 14 HH12 ARG 14 -10.003 5.979 -12.609 129 HH21 ARG 14 HH21 ARG 14 -9.074 3.264 -10.545 130 HH22 ARG 14 HH22 ARG 14 -10.297 3.921 -11.512 131 H ASN 15 HN ASN 15 -1.986 5.966 -9.261 132 HA ASN 15 HA ASN 15 -1.134 8.525 -10.452 133 HB2 ASN 15 HB2 ASN 15 -2.019 9.780 -8.578 134 HB3 ASN 15 HB1 ASN 15 -3.255 8.600 -9.016 135 HD21 ASN 15 HD21 ASN 15 -3.741 6.932 -7.693 136 HD22 ASN 15 HD22 ASN 15 -3.153 6.925 -6.056 137 H PHE 16 HN PHE 16 0.138 6.024 -9.889 138 HA PHE 16 HA PHE 16 1.739 5.512 -7.843 139 HB2 PHE 16 HB2 PHE 16 1.844 4.251 -9.900 140 HB3 PHE 16 HB1 PHE 16 2.654 5.578 -10.718 141 HD1 PHE 16 HD2 PHE 16 3.019 2.986 -8.135 142 HD2 PHE 16 HD1 PHE 16 5.001 5.889 -10.529 143 HE1 PHE 16 HE2 PHE 16 5.184 2.064 -7.460 144 HE2 PHE 16 HE1 PHE 16 7.176 4.972 -9.856 145 HZ PHE 16 HZ PHE 16 7.269 3.056 -8.312 146 H SER 17 HN SER 17 2.642 8.137 -10.123 147 HA SER 17 HA SER 17 5.113 8.757 -9.009 148 HB2 SER 17 HB2 SER 17 3.208 10.573 -10.454 149 HB3 SER 17 HB1 SER 17 4.959 10.774 -10.318 150 HG SER 17 HG SER 17 3.996 9.710 -12.275 151 H ASN 18 HN ASN 18 1.938 9.579 -7.897 152 HA ASN 18 HA ASN 18 2.613 11.817 -6.240 153 HB2 ASN 18 HB2 ASN 18 0.360 11.503 -7.020 154 HB3 ASN 18 HB1 ASN 18 0.292 9.890 -6.332 155 HD21 ASN 18 HD21 ASN 18 -1.396 10.194 -5.143 156 HD22 ASN 18 HD22 ASN 18 -1.563 11.204 -3.775 157 H PHE 19 HN PHE 19 2.458 8.337 -5.866 158 HA PHE 19 HA PHE 19 3.085 8.496 -3.033 159 HB2 PHE 19 HB2 PHE 19 2.309 6.246 -4.868 160 HB3 PHE 19 HB1 PHE 19 3.024 5.918 -3.296 161 HD1 PHE 19 HD1 PHE 19 0.183 7.681 -4.928 162 HD2 PHE 19 HD2 PHE 19 1.703 5.845 -1.405 163 HE1 PHE 19 HE1 PHE 19 -2.033 7.886 -3.866 164 HE2 PHE 19 HE2 PHE 19 -0.504 6.051 -0.337 165 HZ PHE 19 HZ PHE 19 -2.372 7.071 -1.566 166 H CYS 20 HN CYS 20 4.783 8.663 -5.796 167 HA CYS 20 HA CYS 20 6.828 6.776 -5.467 168 HB2 CYS 20 HB2 CYS 20 6.436 7.883 -7.594 169 HB3 CYS 20 HB1 CYS 20 6.869 9.442 -6.905 170 HG CYS 20 HG CYS 20 9.542 8.438 -6.376 171 H ASN 21 HN ASN 21 6.390 9.872 -3.980 172 HA ASN 21 HA ASN 21 8.943 9.456 -2.668 173 HB2 ASN 21 HB2 ASN 21 8.791 11.683 -3.740 174 HB3 ASN 21 HB1 ASN 21 7.336 12.031 -2.816 175 HD21 ASN 21 HD21 ASN 21 10.793 11.550 -2.627 176 HD22 ASN 21 HD22 ASN 21 11.008 12.324 -1.100 177 H VAL 22 HN VAL 22 7.761 7.780 -1.715 178 HA VAL 22 HA VAL 22 6.580 8.735 0.795 179 HB VAL 22 HB VAL 22 4.964 7.455 -0.901 180 HG11 VAL 22 HG11 VAL 22 6.370 5.752 -1.501 181 HG12 VAL 22 HG12 VAL 22 4.855 5.192 -0.785 182 HG13 VAL 22 HG13 VAL 22 6.367 5.098 0.156 183 HG21 VAL 22 HG21 VAL 22 4.268 7.991 1.345 184 HG22 VAL 22 HG22 VAL 22 5.226 6.659 1.981 185 HG23 VAL 22 HG23 VAL 22 3.813 6.324 0.958 186 H ASP 23 HN ASP 23 7.250 7.516 2.663 187 HA ASP 23 HA ASP 23 9.805 6.225 2.223 188 HB2 ASP 23 HB2 ASP 23 9.250 7.806 4.239 189 HB3 ASP 23 HB1 ASP 23 8.450 6.395 4.887 190 H VAL 24 HN VAL 24 9.822 4.224 1.695 191 HA VAL 24 HA VAL 24 7.498 2.583 1.988 192 HB VAL 24 HB VAL 24 10.205 1.918 0.810 193 HG11 VAL 24 HG11 VAL 24 8.952 -0.106 1.330 194 HG12 VAL 24 HG12 VAL 24 8.979 0.197 -0.422 195 HG13 VAL 24 HG13 VAL 24 7.537 0.574 0.515 196 HG21 VAL 24 HG21 VAL 24 9.212 2.433 -1.323 197 HG22 VAL 24 HG22 VAL 24 9.064 3.829 -0.235 198 HG23 VAL 24 HG23 VAL 24 7.677 2.795 -0.536 199 H VAL 25 HN VAL 25 10.645 2.745 3.517 200 HA VAL 25 HA VAL 25 10.274 0.179 4.743 201 HB VAL 25 HB VAL 25 12.270 0.548 6.045 202 HG11 VAL 25 HG11 VAL 25 12.603 1.210 3.114 203 HG12 VAL 25 HG12 VAL 25 12.482 -0.391 3.817 204 HG13 VAL 25 HG13 VAL 25 13.894 0.611 4.158 205 HG21 VAL 25 HG21 VAL 25 12.441 3.265 4.734 206 HG22 VAL 25 HG22 VAL 25 13.715 2.523 5.705 207 HG23 VAL 25 HG23 VAL 25 12.168 2.935 6.441 208 H GLU 26 HN GLU 26 9.738 3.475 5.735 209 HA GLU 26 HA GLU 26 9.116 2.903 8.373 210 HB2 GLU 26 HB2 GLU 26 8.505 5.069 6.457 211 HB3 GLU 26 HB1 GLU 26 7.720 5.104 8.008 212 HG2 GLU 26 HG2 GLU 26 10.686 5.097 7.471 213 HG3 GLU 26 HG1 GLU 26 9.727 6.466 8.035 214 H ILE 27 HN ILE 27 7.325 2.500 5.455 215 HA ILE 27 HA ILE 27 4.691 2.177 6.589 216 HB ILE 27 HB ILE 27 5.985 1.347 3.975 217 HG12 ILE 27 HG12 ILE 27 3.916 3.477 4.545 218 HG13 ILE 27 HG11 ILE 27 5.636 3.752 4.307 219 HG21 ILE 27 HG21 ILE 27 3.787 0.797 3.066 220 HG22 ILE 27 HG22 ILE 27 3.079 0.997 4.666 221 HG23 ILE 27 HG23 ILE 27 4.260 -0.281 4.380 222 HD11 ILE 27 HD11 ILE 27 5.453 2.944 2.024 223 HD12 ILE 27 HD12 ILE 27 4.343 4.283 2.316 224 HD13 ILE 27 HD13 ILE 27 3.734 2.628 2.257 225 H LEU 28 HN LEU 28 7.380 0.011 6.115 226 HA LEU 28 HA LEU 28 6.066 -2.411 6.129 227 HB2 LEU 28 HB2 LEU 28 8.791 -1.833 7.277 228 HB3 LEU 28 HB1 LEU 28 8.181 -3.435 6.915 229 HG LEU 28 HG LEU 28 8.652 -1.251 4.891 230 HD11 LEU 28 HD11 LEU 28 10.524 -2.636 4.163 231 HD12 LEU 28 HD12 LEU 28 10.221 -3.752 5.495 232 HD13 LEU 28 HD13 LEU 28 10.732 -2.098 5.830 233 HD21 LEU 28 HD21 LEU 28 8.298 -3.026 3.254 234 HD22 LEU 28 HD22 LEU 28 6.860 -2.751 4.232 235 HD23 LEU 28 HD23 LEU 28 7.896 -4.145 4.555 236 HA PRO 29 HA PRO 29 6.293 -2.948 10.936 237 HB2 PRO 29 HB2 PRO 29 6.692 -0.787 12.517 238 HB3 PRO 29 HB1 PRO 29 8.026 -1.762 11.891 239 HG2 PRO 29 HG2 PRO 29 6.926 0.820 10.854 240 HG3 PRO 29 HG1 PRO 29 8.617 0.344 11.108 241 HD2 PRO 29 HD2 PRO 29 7.471 0.269 8.675 242 HD3 PRO 29 HD1 PRO 29 8.683 -0.922 9.184 243 H TYR 30 HN TYR 30 4.706 -0.567 9.220 244 HA TYR 30 HA TYR 30 2.574 -0.198 11.149 245 HB2 TYR 30 HB2 TYR 30 3.357 1.011 8.563 246 HB3 TYR 30 HB1 TYR 30 1.701 1.234 9.000 247 HD1 TYR 30 HD1 TYR 30 5.150 2.034 9.688 248 HD2 TYR 30 HD2 TYR 30 1.172 2.662 10.983 249 HE1 TYR 30 HE1 TYR 30 5.910 3.933 11.022 250 HE2 TYR 30 HE2 TYR 30 1.908 4.588 12.331 251 HH TYR 30 HH TYR 30 5.008 5.967 11.940 252 H LEU 31 HN LEU 31 3.430 -2.194 8.526 253 HA LEU 31 HA LEU 31 0.696 -3.215 8.342 254 HB2 LEU 31 HB2 LEU 31 2.941 -3.224 6.324 255 HB3 LEU 31 HB1 LEU 31 1.518 -4.218 6.176 256 HG LEU 31 HG LEU 31 0.128 -2.158 5.862 257 HD11 LEU 31 HD11 LEU 31 1.125 -0.042 5.548 258 HD12 LEU 31 HD12 LEU 31 2.680 -0.676 6.100 259 HD13 LEU 31 HD13 LEU 31 1.305 -0.615 7.202 260 HD21 LEU 31 HD21 LEU 31 2.574 -2.304 4.168 261 HD22 LEU 31 HD22 LEU 31 1.057 -1.513 3.711 262 HD23 LEU 31 HD23 LEU 31 1.114 -3.269 3.931 263 HA PRO 32 HA PRO 32 3.338 -6.447 10.382 264 HB2 PRO 32 HB2 PRO 32 1.465 -7.390 12.089 265 HB3 PRO 32 HB1 PRO 32 2.411 -5.941 12.437 266 HG2 PRO 32 HG2 PRO 32 -0.382 -6.171 11.390 267 HG3 PRO 32 HG1 PRO 32 0.267 -5.059 12.606 268 HD2 PRO 32 HD2 PRO 32 -0.172 -4.350 10.014 269 HD3 PRO 32 HD1 PRO 32 1.082 -3.607 11.019 270 H CYS 33 HN CYS 33 0.565 -6.493 8.527 271 HA CYS 33 HA CYS 33 -0.134 -9.237 8.548 272 HB2 CYS 33 HB2 CYS 33 -0.614 -7.177 6.411 273 HB3 CYS 33 HB1 CYS 33 -1.511 -8.676 6.649 274 HG CYS 33 HG CYS 33 -2.357 -7.855 9.258 275 H LEU 34 HN LEU 34 2.314 -7.417 6.872 276 HA LEU 34 HA LEU 34 2.696 -9.454 4.894 277 HB2 LEU 34 HB2 LEU 34 4.193 -6.950 5.517 278 HB3 LEU 34 HB1 LEU 34 4.790 -8.143 4.376 279 HG LEU 34 HG LEU 34 2.478 -7.890 3.264 280 HD11 LEU 34 HD11 LEU 34 1.398 -6.569 4.948 281 HD12 LEU 34 HD12 LEU 34 1.474 -5.702 3.414 282 HD13 LEU 34 HD13 LEU 34 2.583 -5.282 4.719 283 HD21 LEU 34 HD21 LEU 34 4.583 -5.773 3.084 284 HD22 LEU 34 HD22 LEU 34 3.331 -6.126 1.864 285 HD23 LEU 34 HD23 LEU 34 4.529 -7.361 2.308 286 H THR 35 HN THR 35 4.171 -11.014 4.870 287 HA THR 35 HA THR 35 5.081 -11.999 7.320 288 HB THR 35 HB THR 35 6.219 -13.125 4.900 289 HG1 THR 35 HG1 THR 35 4.608 -12.715 3.683 290 HG21 THR 35 HG21 THR 35 4.977 -15.098 5.682 291 HG22 THR 35 HG22 THR 35 4.092 -14.097 6.830 292 HG23 THR 35 HG23 THR 35 5.828 -14.345 7.032 293 H ALA 36 HN ALA 36 7.421 -12.752 7.520 294 HA ALA 36 HA ALA 36 9.136 -10.598 7.744 295 HB1 ALA 36 HB1 ALA 36 10.847 -12.206 8.311 296 HB2 ALA 36 HB2 ALA 36 9.899 -13.510 7.600 297 HB3 ALA 36 HB3 ALA 36 9.313 -12.684 9.042 298 H ARG 37 HN ARG 37 9.187 -13.192 5.277 299 HA ARG 37 HA ARG 37 11.385 -12.209 3.890 300 HB2 ARG 37 HB2 ARG 37 9.076 -13.884 2.954 301 HB3 ARG 37 HB1 ARG 37 10.540 -13.585 2.038 302 HG2 ARG 37 HG2 ARG 37 11.843 -14.677 3.823 303 HG3 ARG 37 HG1 ARG 37 10.337 -15.051 4.660 304 HD2 ARG 37 HD2 ARG 37 11.007 -16.987 3.379 305 HD3 ARG 37 HD1 ARG 37 9.583 -16.269 2.634 306 HE ARG 37 HE ARG 37 11.843 -15.166 1.445 307 HH11 ARG 37 HH11 ARG 37 10.158 -18.269 1.558 308 HH12 ARG 37 HH12 ARG 37 10.716 -18.792 0.036 309 HH21 ARG 37 HH21 ARG 37 12.606 -15.853 -0.609 310 HH22 ARG 37 HH22 ARG 37 12.164 -17.375 -1.232 311 H ASP 38 HN ASP 38 7.920 -11.655 3.474 312 HA ASP 38 HA ASP 38 8.005 -10.158 1.110 313 HB2 ASP 38 HB2 ASP 38 6.051 -10.088 3.413 314 HB3 ASP 38 HB1 ASP 38 5.832 -9.076 1.982 315 H GLN 39 HN GLN 39 8.055 -9.010 4.486 316 HA GLN 39 HA GLN 39 8.354 -6.274 3.807 317 HB2 GLN 39 HB2 GLN 39 9.177 -7.664 6.365 318 HB3 GLN 39 HB1 GLN 39 9.071 -5.928 6.143 319 HG2 GLN 39 HG2 GLN 39 6.636 -6.204 5.699 320 HG3 GLN 39 HG1 GLN 39 6.810 -7.911 6.115 321 HE21 GLN 39 HE21 GLN 39 5.517 -7.838 7.930 322 HE22 GLN 39 HE22 GLN 39 5.941 -6.943 9.348 323 H ASP 40 HN ASP 40 10.670 -8.811 4.516 324 HA ASP 40 HA ASP 40 13.000 -7.237 4.629 325 HB2 ASP 40 HB2 ASP 40 12.881 -9.565 5.410 326 HB3 ASP 40 HB1 ASP 40 12.717 -10.103 3.753 327 H ARG 41 HN ARG 41 11.549 -9.003 1.956 328 HA ARG 41 HA ARG 41 13.310 -8.390 -0.114 329 HB2 ARG 41 HB2 ARG 41 10.322 -8.766 -0.103 330 HB3 ARG 41 HB1 ARG 41 11.207 -8.470 -1.588 331 HG2 ARG 41 HG2 ARG 41 12.401 -10.523 -1.368 332 HG3 ARG 41 HG1 ARG 41 11.798 -10.762 0.271 333 HD2 ARG 41 HD2 ARG 41 10.648 -12.141 -1.467 334 HD3 ARG 41 HD1 ARG 41 9.572 -11.127 -0.513 335 HE ARG 41 HE ARG 41 10.133 -9.607 -2.694 336 HH11 ARG 41 HH11 ARG 41 8.907 -12.910 -2.394 337 HH12 ARG 41 HH12 ARG 41 7.864 -12.811 -3.726 338 HH21 ARG 41 HH21 ARG 41 8.734 -9.455 -4.497 339 HH22 ARG 41 HH22 ARG 41 7.765 -10.763 -5.010 340 H LEU 42 HN LEU 42 10.646 -6.517 1.168 341 HA LEU 42 HA LEU 42 10.818 -4.404 -0.704 342 HB2 LEU 42 HB2 LEU 42 9.630 -4.461 2.066 343 HB3 LEU 42 HB1 LEU 42 9.364 -3.198 0.877 344 HG LEU 42 HG LEU 42 8.538 -6.082 0.551 345 HD11 LEU 42 HD11 LEU 42 6.892 -3.647 1.171 346 HD12 LEU 42 HD12 LEU 42 7.211 -4.997 2.259 347 HD13 LEU 42 HD13 LEU 42 6.259 -5.247 0.792 348 HD21 LEU 42 HD21 LEU 42 7.987 -3.655 -1.140 349 HD22 LEU 42 HD22 LEU 42 7.290 -5.251 -1.366 350 HD23 LEU 42 HD23 LEU 42 9.023 -5.018 -1.566 351 H ARG 43 HN ARG 43 11.900 -4.702 2.652 352 HA ARG 43 HA ARG 43 13.072 -2.175 2.885 353 HB2 ARG 43 HB2 ARG 43 12.608 -3.627 4.801 354 HB3 ARG 43 HB1 ARG 43 13.861 -4.734 4.271 355 HG2 ARG 43 HG2 ARG 43 15.543 -2.969 4.623 356 HG3 ARG 43 HG1 ARG 43 14.269 -1.900 5.215 357 HD2 ARG 43 HD2 ARG 43 15.489 -3.000 7.052 358 HD3 ARG 43 HD1 ARG 43 13.780 -3.442 7.022 359 HE ARG 43 HE ARG 43 15.328 -5.259 5.517 360 HH11 ARG 43 HH11 ARG 43 14.543 -4.468 8.888 361 HH12 ARG 43 HH12 ARG 43 14.800 -6.043 9.451 362 HH21 ARG 43 HH21 ARG 43 15.576 -7.444 6.273 363 HH22 ARG 43 HH22 ARG 43 15.401 -7.775 7.929 364 H ALA 44 HN ALA 44 14.514 -5.250 1.867 365 HA ALA 44 HA ALA 44 17.142 -4.412 1.565 366 HB1 ALA 44 HB1 ALA 44 16.453 -6.767 1.477 367 HB2 ALA 44 HB2 ALA 44 17.397 -6.325 0.054 368 HB3 ALA 44 HB3 ALA 44 15.644 -6.470 -0.060 369 H THR 45 HN THR 45 14.587 -4.582 -0.915 370 HA THR 45 HA THR 45 16.161 -3.507 -2.981 371 HB THR 45 HB THR 45 13.146 -3.346 -2.822 372 HG1 THR 45 HG1 THR 45 13.387 -5.448 -2.501 373 HG21 THR 45 HG21 THR 45 13.330 -3.677 -5.250 374 HG22 THR 45 HG22 THR 45 15.087 -3.722 -5.121 375 HG23 THR 45 HG23 THR 45 14.213 -2.238 -4.750 376 H CYS 46 HN CYS 46 14.128 -1.987 -0.557 377 HA CYS 46 HA CYS 46 13.949 0.567 -1.734 378 HB2 CYS 46 HB2 CYS 46 12.644 -0.478 0.215 379 HB3 CYS 46 HB1 CYS 46 13.983 0.004 1.210 380 HG CYS 46 HG CYS 46 13.445 2.525 1.450 381 H THR 47 HN THR 47 16.248 -0.979 0.283 382 HA THR 47 HA THR 47 17.859 1.392 0.684 383 HB THR 47 HB THR 47 18.638 -1.474 1.294 384 HG1 THR 47 HG1 THR 47 16.700 -1.155 2.339 385 HG21 THR 47 HG21 THR 47 20.433 0.214 1.485 386 HG22 THR 47 HG22 THR 47 19.980 -0.418 3.070 387 HG23 THR 47 HG23 THR 47 19.413 1.170 2.561 388 H LEU 48 HN LEU 48 17.945 -1.523 -1.295 389 HA LEU 48 HA LEU 48 20.546 -1.086 -2.400 390 HB2 LEU 48 HB2 LEU 48 18.291 -2.876 -3.225 391 HB3 LEU 48 HB1 LEU 48 19.834 -2.871 -4.029 392 HG LEU 48 HG LEU 48 19.363 -3.597 -1.137 393 HD11 LEU 48 HD11 LEU 48 19.877 -5.867 -1.886 394 HD12 LEU 48 HD12 LEU 48 19.950 -5.292 -3.553 395 HD13 LEU 48 HD13 LEU 48 18.429 -5.229 -2.664 396 HD21 LEU 48 HD21 LEU 48 21.857 -3.747 -2.833 397 HD22 LEU 48 HD22 LEU 48 21.690 -4.400 -1.208 398 HD23 LEU 48 HD23 LEU 48 21.596 -2.659 -1.469 399 H SER 49 HN SER 49 17.310 -0.899 -3.872 400 HA SER 49 HA SER 49 18.506 0.411 -6.167 401 HB2 SER 49 HB2 SER 49 15.805 -0.865 -5.801 402 HB3 SER 49 HB1 SER 49 16.430 -0.209 -7.309 403 HG SER 49 HG SER 49 17.020 -2.238 -7.483 404 H GLY 50 HN GLY 50 15.736 0.798 -3.939 405 HA2 GLY 50 HA2 GLY 50 15.850 3.320 -3.323 406 HA3 GLY 50 HA1 GLY 50 15.337 3.452 -5.005 407 H ASN 51 HN ASN 51 13.704 4.430 -3.146 408 HA ASN 51 HA ASN 51 11.925 2.518 -2.081 409 HB2 ASN 51 HB2 ASN 51 10.596 4.334 -1.333 410 HB3 ASN 51 HB1 ASN 51 12.285 4.767 -1.079 411 HD21 ASN 51 HD21 ASN 51 9.744 6.253 -1.348 412 HD22 ASN 51 HD22 ASN 51 10.031 7.408 -2.611 413 H ARG 52 HN ARG 52 11.732 4.691 -4.752 414 HA ARG 52 HA ARG 52 9.169 4.221 -5.701 415 HB2 ARG 52 HB2 ARG 52 10.381 5.979 -6.689 416 HB3 ARG 52 HB1 ARG 52 11.678 4.918 -7.200 417 HG2 ARG 52 HG2 ARG 52 10.205 3.884 -8.850 418 HG3 ARG 52 HG1 ARG 52 8.880 4.924 -8.321 419 HD2 ARG 52 HD2 ARG 52 10.019 5.741 -10.363 420 HD3 ARG 52 HD1 ARG 52 10.065 6.883 -9.024 421 HE ARG 52 HE ARG 52 12.341 5.104 -9.498 422 HH11 ARG 52 HH11 ARG 52 11.005 8.379 -9.589 423 HH12 ARG 52 HH12 ARG 52 12.502 9.175 -9.540 424 HH21 ARG 52 HH21 ARG 52 14.463 6.223 -9.431 425 HH22 ARG 52 HH22 ARG 52 14.498 7.910 -9.448 426 H ASP 53 HN ASP 53 12.081 2.437 -6.611 427 HA ASP 53 HA ASP 53 10.746 0.663 -8.377 428 HB2 ASP 53 HB2 ASP 53 13.233 1.037 -8.337 429 HB3 ASP 53 HB1 ASP 53 13.291 0.119 -6.840 430 H THR 54 HN THR 54 11.237 0.710 -4.990 431 HA THR 54 HA THR 54 10.430 -1.972 -4.509 432 HB THR 54 HB THR 54 10.761 0.377 -2.628 433 HG1 THR 54 HG1 THR 54 12.731 -0.010 -3.414 434 HG21 THR 54 HG21 THR 54 10.745 -2.597 -2.043 435 HG22 THR 54 HG22 THR 54 9.422 -1.496 -1.667 436 HG23 THR 54 HG23 THR 54 10.982 -1.304 -0.865 437 H LEU 55 HN LEU 55 8.793 1.061 -4.971 438 HA LEU 55 HA LEU 55 6.418 0.501 -3.587 439 HB2 LEU 55 HB2 LEU 55 6.839 2.167 -6.066 440 HB3 LEU 55 HB1 LEU 55 5.315 2.078 -5.209 441 HG LEU 55 HG LEU 55 7.900 3.187 -4.101 442 HD11 LEU 55 HD11 LEU 55 5.364 4.467 -5.059 443 HD12 LEU 55 HD12 LEU 55 7.003 4.755 -5.672 444 HD13 LEU 55 HD13 LEU 55 6.520 5.276 -4.034 445 HD21 LEU 55 HD21 LEU 55 5.150 3.074 -2.941 446 HD22 LEU 55 HD22 LEU 55 6.528 4.000 -2.358 447 HD23 LEU 55 HD23 LEU 55 6.597 2.222 -2.331 448 H TRP 56 HN TRP 56 7.427 -0.354 -6.885 449 HA TRP 56 HA TRP 56 5.002 -1.537 -7.672 450 HB2 TRP 56 HB2 TRP 56 7.843 -1.964 -8.590 451 HB3 TRP 56 HB1 TRP 56 6.452 -2.735 -9.315 452 HD1 TRP 56 HD1 TRP 56 8.430 0.455 -9.388 453 HE1 TRP 56 HE1 TRP 56 7.378 2.054 -11.124 454 HE3 TRP 56 HE3 TRP 56 4.113 -2.038 -10.229 455 HZ2 TRP 56 HZ2 TRP 56 5.004 2.233 -12.635 456 HZ3 TRP 56 HZ3 TRP 56 2.462 -1.101 -11.841 457 HH2 TRP 56 HH2 TRP 56 2.917 0.991 -13.015 458 H HIS 57 HN HIS 57 7.472 -2.509 -5.592 459 HA HIS 57 HA HIS 57 6.961 -5.377 -5.766 460 HB2 HIS 57 HB2 HIS 57 9.227 -4.032 -5.455 461 HB3 HIS 57 HB1 HIS 57 8.749 -4.017 -3.773 462 HD1 HIS 57 HD1 HIS 57 10.894 -5.745 -5.898 463 HD2 HIS 57 HD2 HIS 57 8.158 -6.972 -3.021 464 HE1 HIS 57 HE1 HIS 57 11.636 -8.035 -5.167 465 H LEU 58 HN LEU 58 6.561 -2.597 -3.665 466 HA LEU 58 HA LEU 58 5.566 -3.749 -1.301 467 HB2 LEU 58 HB2 LEU 58 6.425 -1.487 -1.428 468 HB3 LEU 58 HB1 LEU 58 5.160 -1.043 -2.535 469 HG LEU 58 HG LEU 58 3.490 -1.440 -0.706 470 HD11 LEU 58 HD11 LEU 58 4.259 -1.481 1.602 471 HD12 LEU 58 HD12 LEU 58 5.925 -1.623 1.043 472 HD13 LEU 58 HD13 LEU 58 4.766 -2.914 0.709 473 HD21 LEU 58 HD21 LEU 58 4.206 0.806 -1.267 474 HD22 LEU 58 HD22 LEU 58 5.597 0.656 -0.198 475 HD23 LEU 58 HD23 LEU 58 3.967 0.663 0.474 476 H PHE 59 HN PHE 59 3.858 -2.076 -3.898 477 HA PHE 59 HA PHE 59 1.309 -2.719 -2.877 478 HB2 PHE 59 HB2 PHE 59 2.080 -1.769 -5.648 479 HB3 PHE 59 HB1 PHE 59 0.418 -1.954 -5.105 480 HD1 PHE 59 HD1 PHE 59 -0.263 -0.660 -2.981 481 HD2 PHE 59 HD2 PHE 59 3.172 0.268 -5.314 482 HE1 PHE 59 HE1 PHE 59 -0.243 1.620 -2.053 483 HE2 PHE 59 HE2 PHE 59 3.190 2.551 -4.379 484 HZ PHE 59 HZ PHE 59 1.481 3.218 -2.751 485 H ASN 60 HN ASN 60 3.502 -4.581 -4.466 486 HA ASN 60 HA ASN 60 1.684 -6.454 -5.728 487 HB2 ASN 60 HB2 ASN 60 3.916 -5.858 -6.627 488 HB3 ASN 60 HB1 ASN 60 4.650 -6.576 -5.219 489 HD21 ASN 60 HD21 ASN 60 1.908 -7.891 -7.042 490 HD22 ASN 60 HD22 ASN 60 2.722 -9.333 -7.512 491 H THR 61 HN THR 61 3.011 -5.932 -2.561 492 HA THR 61 HA THR 61 2.821 -8.793 -2.018 493 HB THR 61 HB THR 61 4.364 -8.178 -0.027 494 HG1 THR 61 HG1 THR 61 5.271 -6.167 -1.750 495 HG21 THR 61 HG21 THR 61 5.449 -8.144 -2.854 496 HG22 THR 61 HG22 THR 61 5.078 -9.587 -1.907 497 HG23 THR 61 HG23 THR 61 6.376 -8.505 -1.398 498 H LEU 62 HN LEU 62 1.988 -5.584 -1.010 499 HA LEU 62 HA LEU 62 0.778 -6.481 1.333 500 HB2 LEU 62 HB2 LEU 62 -0.341 -4.272 1.265 501 HB3 LEU 62 HB1 LEU 62 1.395 -4.280 1.553 502 HG LEU 62 HG LEU 62 1.586 -3.491 -0.859 503 HD11 LEU 62 HD11 LEU 62 -0.447 -2.602 -1.919 504 HD12 LEU 62 HD12 LEU 62 -1.383 -3.216 -0.546 505 HD13 LEU 62 HD13 LEU 62 -0.552 -4.344 -1.605 506 HD21 LEU 62 HD21 LEU 62 0.854 -1.213 -0.343 507 HD22 LEU 62 HD22 LEU 62 1.709 -1.964 1.013 508 HD23 LEU 62 HD23 LEU 62 -0.054 -1.852 1.032 509 H GLN 63 HN GLN 63 -0.425 -6.116 -1.868 510 HA GLN 63 HA GLN 63 -3.193 -6.160 -1.262 511 HB2 GLN 63 HB2 GLN 63 -3.536 -6.772 -3.613 512 HB3 GLN 63 HB1 GLN 63 -2.414 -5.431 -3.439 513 HG2 GLN 63 HG2 GLN 63 -0.542 -6.826 -3.896 514 HG3 GLN 63 HG1 GLN 63 -1.528 -8.280 -3.786 515 HE21 GLN 63 HE21 GLN 63 -2.658 -5.431 -5.382 516 HE22 GLN 63 HE22 GLN 63 -2.588 -6.075 -6.982 517 H ARG 64 HN ARG 64 -0.836 -8.535 -1.267 518 HA ARG 64 HA ARG 64 -2.277 -10.845 -1.931 519 HB2 ARG 64 HB2 ARG 64 0.100 -10.521 -0.101 520 HB3 ARG 64 HB1 ARG 64 -0.470 -12.051 -0.746 521 HG2 ARG 64 HG2 ARG 64 0.033 -11.255 -3.016 522 HG3 ARG 64 HG1 ARG 64 0.603 -9.731 -2.336 523 HD2 ARG 64 HD2 ARG 64 2.490 -11.174 -2.808 524 HD3 ARG 64 HD1 ARG 64 2.318 -10.962 -1.068 525 HE ARG 64 HE ARG 64 0.964 -13.262 -2.060 526 HH11 ARG 64 HH11 ARG 64 4.117 -12.138 -0.709 527 HH12 ARG 64 HH12 ARG 64 4.683 -13.732 -0.576 528 HH21 ARG 64 HH21 ARG 64 1.840 -15.384 -1.754 529 HH22 ARG 64 HH22 ARG 64 3.390 -15.590 -1.116 530 H ARG 65 HN ARG 65 -2.093 -8.937 0.996 531 HA ARG 65 HA ARG 65 -3.544 -10.992 2.419 532 HB2 ARG 65 HB2 ARG 65 -1.957 -8.619 3.420 533 HB3 ARG 65 HB1 ARG 65 -3.009 -9.562 4.460 534 HG2 ARG 65 HG2 ARG 65 -0.767 -10.285 4.762 535 HG3 ARG 65 HG1 ARG 65 -1.640 -11.581 3.935 536 HD2 ARG 65 HD2 ARG 65 -0.673 -10.587 1.799 537 HD3 ARG 65 HD1 ARG 65 0.389 -9.640 2.837 538 HE ARG 65 HE ARG 65 0.415 -12.428 3.422 539 HH11 ARG 65 HH11 ARG 65 1.908 -9.910 1.346 540 HH12 ARG 65 HH12 ARG 65 3.292 -10.851 1.011 541 HH21 ARG 65 HH21 ARG 65 2.288 -13.726 2.799 542 HH22 ARG 65 HH22 ARG 65 3.493 -13.033 1.813 543 HA PRO 66 HA PRO 66 -7.177 -8.478 1.999 544 HB2 PRO 66 HB2 PRO 66 -8.287 -9.684 4.416 545 HB3 PRO 66 HB1 PRO 66 -8.800 -9.894 2.744 546 HG2 PRO 66 HG2 PRO 66 -7.613 -11.872 4.150 547 HG3 PRO 66 HG1 PRO 66 -7.408 -11.689 2.400 548 HD2 PRO 66 HD2 PRO 66 -5.556 -10.887 4.614 549 HD3 PRO 66 HD1 PRO 66 -5.203 -11.672 3.054 550 H GLY 67 HN GLY 67 -7.943 -6.586 2.729 551 HA2 GLY 67 HA2 GLY 67 -8.389 -4.801 4.109 552 HA3 GLY 67 HA1 GLY 67 -7.946 -5.813 5.471 553 H TRP 68 HN TRP 68 -5.607 -5.414 2.944 554 HA TRP 68 HA TRP 68 -3.619 -4.438 4.623 555 HB2 TRP 68 HB2 TRP 68 -2.363 -3.819 2.563 556 HB3 TRP 68 HB1 TRP 68 -2.930 -5.467 2.530 557 HD1 TRP 68 HD1 TRP 68 -4.884 -6.022 0.712 558 HE1 TRP 68 HE1 TRP 68 -5.538 -4.846 -1.481 559 HE3 TRP 68 HE3 TRP 68 -2.581 -1.519 1.483 560 HZ2 TRP 68 HZ2 TRP 68 -5.138 -2.327 -2.719 561 HZ3 TRP 68 HZ3 TRP 68 -2.761 0.216 -0.251 562 HH2 TRP 68 HH2 TRP 68 -4.007 -0.173 -2.304 563 H VAL 69 HN VAL 69 -6.034 -2.738 2.911 564 HA VAL 69 HA VAL 69 -4.889 -0.227 2.635 565 HB VAL 69 HB VAL 69 -7.827 -0.772 3.093 566 HG11 VAL 69 HG11 VAL 69 -7.255 1.583 3.240 567 HG12 VAL 69 HG12 VAL 69 -8.173 1.266 1.772 568 HG13 VAL 69 HG13 VAL 69 -6.425 1.500 1.688 569 HG21 VAL 69 HG21 VAL 69 -8.012 -0.900 0.648 570 HG22 VAL 69 HG22 VAL 69 -6.991 -2.185 1.290 571 HG23 VAL 69 HG23 VAL 69 -6.257 -0.783 0.512 572 H GLU 70 HN GLU 70 -6.603 -1.620 5.470 573 HA GLU 70 HA GLU 70 -6.999 0.725 6.895 574 HB2 GLU 70 HB2 GLU 70 -6.386 -2.013 7.982 575 HB3 GLU 70 HB1 GLU 70 -7.209 -0.696 8.794 576 HG2 GLU 70 HG2 GLU 70 -9.009 -0.865 7.084 577 HG3 GLU 70 HG1 GLU 70 -8.210 -2.323 6.489 578 H TYR 71 HN TYR 71 -4.313 -1.534 6.771 579 HA TYR 71 HA TYR 71 -2.796 -0.261 8.812 580 HB2 TYR 71 HB2 TYR 71 -2.022 -2.351 6.771 581 HB3 TYR 71 HB1 TYR 71 -1.151 -1.940 8.245 582 HD1 TYR 71 HD2 TYR 71 -2.060 -2.588 10.444 583 HD2 TYR 71 HD1 TYR 71 -3.999 -3.726 6.838 584 HE1 TYR 71 HE2 TYR 71 -3.396 -4.236 11.684 585 HE2 TYR 71 HE1 TYR 71 -5.341 -5.369 8.066 586 HH TYR 71 HH TYR 71 -5.588 -5.362 11.392 587 H PHE 72 HN PHE 72 -2.942 -0.351 5.327 588 HA PHE 72 HA PHE 72 -0.579 1.012 4.756 589 HB2 PHE 72 HB2 PHE 72 -1.834 -0.253 3.073 590 HB3 PHE 72 HB1 PHE 72 -3.151 0.905 3.178 591 HD1 PHE 72 HD1 PHE 72 0.519 0.840 2.520 592 HD2 PHE 72 HD2 PHE 72 -3.268 2.513 1.547 593 HE1 PHE 72 HE1 PHE 72 1.564 2.144 0.716 594 HE2 PHE 72 HE2 PHE 72 -2.228 3.826 -0.257 595 HZ PHE 72 HZ PHE 72 0.190 3.640 -0.672 596 H ILE 73 HN ILE 73 -3.884 2.254 5.225 597 HA ILE 73 HA ILE 73 -3.373 4.972 4.766 598 HB ILE 73 HB ILE 73 -5.331 3.743 6.745 599 HG12 ILE 73 HG12 ILE 73 -5.811 4.770 3.934 600 HG13 ILE 73 HG11 ILE 73 -5.625 3.075 4.360 601 HG21 ILE 73 HG21 ILE 73 -5.266 6.552 5.627 602 HG22 ILE 73 HG22 ILE 73 -4.923 6.089 7.291 603 HG23 ILE 73 HG23 ILE 73 -6.550 5.879 6.634 604 HD11 ILE 73 HD11 ILE 73 -7.808 4.905 5.341 605 HD12 ILE 73 HD12 ILE 73 -7.638 3.192 5.735 606 HD13 ILE 73 HD13 ILE 73 -7.965 3.690 4.073 607 H ALA 74 HN ALA 74 -3.099 3.076 7.721 608 HA ALA 74 HA ALA 74 -2.315 5.181 9.421 609 HB1 ALA 74 HB1 ALA 74 -1.760 2.224 9.680 610 HB2 ALA 74 HB2 ALA 74 -3.205 3.053 10.259 611 HB3 ALA 74 HB3 ALA 74 -1.634 3.418 10.973 612 H ALA 75 HN ALA 75 -0.611 3.141 7.215 613 HA ALA 75 HA ALA 75 1.995 3.563 8.147 614 HB1 ALA 75 HB1 ALA 75 1.346 1.710 6.633 615 HB2 ALA 75 HB2 ALA 75 2.728 2.629 6.057 616 HB3 ALA 75 HB3 ALA 75 1.140 2.886 5.339 617 H LEU 76 HN LEU 76 0.243 5.230 5.361 618 HA LEU 76 HA LEU 76 2.357 6.968 4.904 619 HB2 LEU 76 HB2 LEU 76 -0.555 7.553 4.458 620 HB3 LEU 76 HB1 LEU 76 0.801 8.343 3.696 621 HG LEU 76 HG LEU 76 0.168 7.090 2.044 622 HD11 LEU 76 HD11 LEU 76 1.405 5.043 1.702 623 HD12 LEU 76 HD12 LEU 76 1.828 5.048 3.415 624 HD13 LEU 76 HD13 LEU 76 2.363 6.366 2.372 625 HD21 LEU 76 HD21 LEU 76 -0.956 4.915 2.117 626 HD22 LEU 76 HD22 LEU 76 -1.807 6.195 2.976 627 HD23 LEU 76 HD23 LEU 76 -0.889 4.985 3.877 628 H ARG 77 HN ARG 77 -0.419 7.180 7.051 629 HA ARG 77 HA ARG 77 0.075 9.921 7.654 630 HB2 ARG 77 HB2 ARG 77 -2.150 8.716 7.831 631 HB3 ARG 77 HB1 ARG 77 -1.553 8.021 9.329 632 HG2 ARG 77 HG2 ARG 77 -1.339 10.167 10.336 633 HG3 ARG 77 HG1 ARG 77 -1.717 10.973 8.815 634 HD2 ARG 77 HD2 ARG 77 -3.676 11.036 10.164 635 HD3 ARG 77 HD1 ARG 77 -3.944 9.885 8.874 636 HE ARG 77 HE ARG 77 -3.591 8.103 10.470 637 HH11 ARG 77 HH11 ARG 77 -3.886 11.318 11.909 638 HH12 ARG 77 HH12 ARG 77 -4.741 10.781 13.281 639 HH21 ARG 77 HH21 ARG 77 -4.669 7.357 12.377 640 HH22 ARG 77 HH22 ARG 77 -5.187 8.474 13.570 641 H GLY 78 HN GLY 78 1.192 6.927 8.882 642 HA2 GLY 78 HA2 GLY 78 2.194 7.914 11.370 643 HA3 GLY 78 HA1 GLY 78 2.543 6.355 10.640 644 H CYS 79 HN CYS 79 3.333 8.075 8.152 645 HA CYS 79 HA CYS 79 5.973 8.798 9.179 646 HB2 CYS 79 HB2 CYS 79 6.725 8.542 6.753 647 HB3 CYS 79 HB1 CYS 79 6.272 7.058 7.572 648 HG CYS 79 HG CYS 79 4.000 6.611 6.272 649 H GLU 80 HN GLU 80 3.423 10.236 9.083 650 HA GLU 80 HA GLU 80 2.708 12.319 9.068 651 HB2 GLU 80 HB2 GLU 80 5.534 13.071 8.332 652 HB3 GLU 80 HB1 GLU 80 4.282 14.215 8.799 653 HG2 GLU 80 HG2 GLU 80 5.495 12.046 10.488 654 HG3 GLU 80 HG1 GLU 80 5.667 13.789 10.699 655 H LEU 81 HN LEU 81 2.978 10.707 6.468 656 HA LEU 81 HA LEU 81 2.541 12.937 4.666 657 HB2 LEU 81 HB2 LEU 81 2.729 9.971 4.082 658 HB3 LEU 81 HB1 LEU 81 2.514 11.224 2.873 659 HG LEU 81 HG LEU 81 4.937 10.961 4.664 660 HD11 LEU 81 HD11 LEU 81 4.833 9.135 3.075 661 HD12 LEU 81 HD12 LEU 81 6.122 10.261 2.660 662 HD13 LEU 81 HD13 LEU 81 4.616 10.277 1.749 663 HD21 LEU 81 HD21 LEU 81 5.932 12.629 3.155 664 HD22 LEU 81 HD22 LEU 81 4.537 13.267 4.014 665 HD23 LEU 81 HD23 LEU 81 4.385 12.788 2.324 666 H VAL 82 HN VAL 82 0.753 13.545 5.777 667 HA VAL 82 HA VAL 82 -1.500 11.904 6.291 668 HB VAL 82 HB VAL 82 -1.375 14.928 6.204 669 HG11 VAL 82 HG11 VAL 82 -3.333 13.098 7.594 670 HG12 VAL 82 HG12 VAL 82 -3.669 14.100 6.185 671 HG13 VAL 82 HG13 VAL 82 -3.297 14.855 7.734 672 HG21 VAL 82 HG21 VAL 82 0.300 14.051 7.730 673 HG22 VAL 82 HG22 VAL 82 -0.913 13.039 8.510 674 HG23 VAL 82 HG23 VAL 82 -1.015 14.794 8.641 675 H ASP 83 HN ASP 83 -0.633 14.062 3.695 676 HA ASP 83 HA ASP 83 -3.130 14.291 2.441 677 HB2 ASP 83 HB2 ASP 83 -0.342 14.445 1.303 678 HB3 ASP 83 HB1 ASP 83 -1.772 14.683 0.312 679 H LEU 84 HN LEU 84 -0.575 11.944 2.010 680 HA LEU 84 HA LEU 84 -1.860 10.450 -0.015 681 HB2 LEU 84 HB2 LEU 84 0.264 9.678 1.971 682 HB3 LEU 84 HB1 LEU 84 -0.292 8.626 0.682 683 HG LEU 84 HG LEU 84 0.981 11.326 0.209 684 HD11 LEU 84 HD11 LEU 84 2.544 9.736 1.258 685 HD12 LEU 84 HD12 LEU 84 2.957 10.051 -0.428 686 HD13 LEU 84 HD13 LEU 84 2.151 8.550 0.015 687 HD21 LEU 84 HD21 LEU 84 0.469 9.000 -1.609 688 HD22 LEU 84 HD22 LEU 84 1.129 10.567 -2.072 689 HD23 LEU 84 HD23 LEU 84 -0.562 10.431 -1.534 690 H ALA 85 HN ALA 85 -1.692 10.041 3.486 691 HA ALA 85 HA ALA 85 -3.175 7.675 3.688 692 HB1 ALA 85 HB1 ALA 85 -3.070 9.955 5.653 693 HB2 ALA 85 HB2 ALA 85 -1.889 8.654 5.545 694 HB3 ALA 85 HB3 ALA 85 -3.557 8.301 6.009 695 H ASP 86 HN ASP 86 -4.226 11.031 3.822 696 HA ASP 86 HA ASP 86 -6.938 10.561 4.337 697 HB2 ASP 86 HB2 ASP 86 -5.906 12.720 4.717 698 HB3 ASP 86 HB1 ASP 86 -5.604 12.906 3.000 699 H GLU 87 HN GLU 87 -5.153 10.851 1.310 700 HA GLU 87 HA GLU 87 -7.529 11.006 -0.254 701 HB2 GLU 87 HB2 GLU 87 -6.169 11.201 -2.175 702 HB3 GLU 87 HB1 GLU 87 -5.136 11.814 -0.900 703 HG2 GLU 87 HG2 GLU 87 -3.870 9.840 -0.830 704 HG3 GLU 87 HG1 GLU 87 -4.926 9.070 -2.024 705 H VAL 88 HN VAL 88 -5.719 8.426 1.002 706 HA VAL 88 HA VAL 88 -6.991 6.405 -0.643 707 HB VAL 88 HB VAL 88 -5.466 6.065 1.965 708 HG11 VAL 88 HG11 VAL 88 -6.868 4.154 1.459 709 HG12 VAL 88 HG12 VAL 88 -5.166 3.738 1.265 710 HG13 VAL 88 HG13 VAL 88 -6.167 4.042 -0.156 711 HG21 VAL 88 HG21 VAL 88 -3.545 5.430 0.595 712 HG22 VAL 88 HG22 VAL 88 -4.049 7.089 0.267 713 HG23 VAL 88 HG23 VAL 88 -4.457 5.802 -0.865 714 H ALA 89 HN ALA 89 -7.186 7.611 2.652 715 HA ALA 89 HA ALA 89 -9.069 5.851 3.682 716 HB1 ALA 89 HB1 ALA 89 -7.642 7.276 5.051 717 HB2 ALA 89 HB2 ALA 89 -9.344 7.427 5.495 718 HB3 ALA 89 HB3 ALA 89 -8.565 8.687 4.536 719 H SER 90 HN SER 90 -9.590 8.866 1.902 720 HA SER 90 HA SER 90 -12.276 9.216 2.589 721 HB2 SER 90 HB2 SER 90 -12.266 10.582 0.437 722 HB3 SER 90 HB1 SER 90 -11.118 11.063 1.692 723 HG SER 90 HG SER 90 -9.801 10.923 0.046 724 H VAL 91 HN VAL 91 -10.794 7.591 -0.153 725 HA VAL 91 HA VAL 91 -13.200 6.822 -1.425 726 HB VAL 91 HB VAL 91 -10.441 5.549 -1.568 727 HG11 VAL 91 HG11 VAL 91 -12.138 4.015 -2.422 728 HG12 VAL 91 HG12 VAL 91 -11.144 4.642 -3.737 729 HG13 VAL 91 HG13 VAL 91 -12.767 5.279 -3.477 730 HG21 VAL 91 HG21 VAL 91 -10.421 7.894 -2.182 731 HG22 VAL 91 HG22 VAL 91 -11.747 7.628 -3.309 732 HG23 VAL 91 HG23 VAL 91 -10.177 6.884 -3.606 733 H TYR 92 HN TYR 92 -11.157 5.323 0.974 734 HA TYR 92 HA TYR 92 -12.468 2.807 0.979 735 HB2 TYR 92 HB2 TYR 92 -10.084 3.401 1.695 736 HB3 TYR 92 HB1 TYR 92 -10.803 3.926 3.211 737 HD1 TYR 92 HD1 TYR 92 -10.790 0.992 0.927 738 HD2 TYR 92 HD2 TYR 92 -10.902 2.404 4.917 739 HE1 TYR 92 HE1 TYR 92 -10.582 -1.337 1.730 740 HE2 TYR 92 HE2 TYR 92 -10.704 0.074 5.751 741 HH TYR 92 HH TYR 92 -11.002 -2.142 5.041 742 H GLN 93 HN GLN 93 -13.222 5.807 2.399 743 HA GLN 93 HA GLN 93 -14.840 4.969 4.583 744 HB2 GLN 93 HB2 GLN 93 -15.250 7.369 2.788 745 HB3 GLN 93 HB1 GLN 93 -16.112 7.083 4.282 746 HG2 GLN 93 HG2 GLN 93 -14.008 7.286 5.515 747 HG3 GLN 93 HG1 GLN 93 -13.160 7.598 3.995 748 HE21 GLN 93 HE21 GLN 93 -12.542 9.698 4.578 749 HE22 GLN 93 HE22 GLN 93 -13.699 10.974 4.673 750 H SER 94 HN SER 94 -15.481 5.361 1.150 751 HA SER 94 HA SER 94 -18.260 4.656 1.464 752 HB2 SER 94 HB2 SER 94 -16.617 5.187 -1.015 753 HB3 SER 94 HB1 SER 94 -18.376 5.024 -0.957 754 HG SER 94 HG SER 94 -18.537 6.853 0.170 755 H TYR 95 HN TYR 95 -15.276 3.216 0.376 756 HA TYR 95 HA TYR 95 -16.681 0.739 -0.317 757 HB2 TYR 95 HB2 TYR 95 -13.856 1.634 -0.882 758 HB3 TYR 95 HB1 TYR 95 -14.558 0.092 -1.357 759 HD1 TYR 95 HD1 TYR 95 -16.318 0.007 -3.077 760 HD2 TYR 95 HD2 TYR 95 -14.351 3.627 -2.075 761 HE1 TYR 95 HE1 TYR 95 -17.146 1.030 -5.157 762 HE2 TYR 95 HE2 TYR 95 -15.161 4.656 -4.130 763 HH TYR 95 HH TYR 95 -15.897 3.977 -6.289 764 H GLN 96 HN GLN 96 -17.219 0.042 1.600 765 HA GLN 96 HA GLN 96 -17.078 -1.119 3.507 766 HB2 GLN 96 HB2 GLN 96 -14.462 -2.071 2.345 767 HB3 GLN 96 HB1 GLN 96 -15.346 -2.861 3.643 768 HG2 GLN 96 HG2 GLN 96 -17.198 -3.302 2.139 769 HG3 GLN 96 HG1 GLN 96 -16.363 -2.456 0.843 770 HE21 GLN 96 HE21 GLN 96 -13.748 -3.570 1.631 771 HE22 GLN 96 HE22 GLN 96 -13.781 -5.217 1.098 772 HA PRO 97 HA PRO 97 -14.356 2.170 5.368 773 HB2 PRO 97 HB2 PRO 97 -16.085 2.912 7.311 774 HB3 PRO 97 HB1 PRO 97 -16.230 3.509 5.649 775 HG2 PRO 97 HG2 PRO 97 -17.637 1.203 6.951 776 HG3 PRO 97 HG1 PRO 97 -18.370 2.532 6.053 777 HD2 PRO 97 HD2 PRO 97 -17.929 0.178 4.898 778 HD3 PRO 97 HD1 PRO 97 -17.595 1.649 3.966 779 H ARG 98 HN ARG 98 -16.081 -0.491 6.757 780 HA ARG 98 HA ARG 98 -14.298 -0.473 9.061 781 HB2 ARG 98 HB2 ARG 98 -17.011 -1.764 8.736 782 HB3 ARG 98 HB1 ARG 98 -16.021 -1.771 10.192 783 HG2 ARG 98 HG2 ARG 98 -16.196 0.669 10.332 784 HG3 ARG 98 HG1 ARG 98 -17.191 0.685 8.879 785 HD2 ARG 98 HD2 ARG 98 -18.871 -0.678 10.038 786 HD3 ARG 98 HD1 ARG 98 -17.872 -0.649 11.493 787 HE ARG 98 HE ARG 98 -18.169 1.956 10.925 788 HH11 ARG 98 HH11 ARG 98 -20.540 -0.670 11.337 789 HH12 ARG 98 HH12 ARG 98 -21.776 0.378 11.847 790 HH21 ARG 98 HH21 ARG 98 -19.885 3.345 11.696 791 HH22 ARG 98 HH22 ARG 98 -21.401 2.656 12.077 792 H THR 99 HN THR 99 -14.410 -1.613 6.150 793 HA THR 99 HA THR 99 -13.413 -3.224 5.013 794 HB THR 99 HB THR 99 -12.271 -4.085 7.677 795 HG1 THR 99 HG1 THR 99 -11.101 -2.333 7.540 796 HG21 THR 99 HG21 THR 99 -10.359 -4.846 6.311 797 HG22 THR 99 HG22 THR 99 -11.202 -4.347 4.847 798 HG23 THR 99 HG23 THR 99 -11.837 -5.675 5.818 799 H SER 100 HN SER 100 -13.596 -5.448 4.353 800 HA SER 100 HA SER 100 -15.244 -7.157 5.949 801 HB2 SER 100 HB2 SER 100 -15.897 -6.386 3.082 802 HB3 SER 100 HB1 SER 100 -16.772 -7.575 4.055 803 HG SER 100 HG SER 100 -16.588 -5.421 5.482 Start of MODEL 14 1 H1 GLY -1 HT1 GLY -1 -13.462 -3.271 3.478 2 H2 GLY -1 HT2 GLY -1 -12.105 -4.019 2.779 3 H3 GLY -1 HT3 GLY -1 -12.058 -3.607 4.366 4 HA2 GLY -1 HA1 GLY -1 -13.770 -5.288 4.828 5 HA3 GLY -1 HA2 GLY -1 -13.733 -5.687 3.111 6 H SER 0 HN SER 0 -13.158 -7.845 4.189 7 HA SER 0 HA SER 0 -10.235 -8.044 4.582 8 HB2 SER 0 HB2 SER 0 -12.482 -9.734 5.591 9 HB3 SER 0 HB1 SER 0 -10.783 -9.924 6.038 10 HG SER 0 HG SER 0 -12.209 -8.714 7.537 11 H MET 1 HN MET 1 -11.725 -8.086 2.051 12 HA MET 1 HA MET 1 -11.354 -10.674 1.108 13 HB2 MET 1 HB2 MET 1 -13.938 -9.181 1.148 14 HB3 MET 1 HB1 MET 1 -13.618 -10.553 0.058 15 HG2 MET 1 HG2 MET 1 -13.317 -11.948 2.047 16 HG3 MET 1 HG1 MET 1 -13.685 -10.573 3.065 17 HE1 MET 1 HE1 MET 1 -15.471 -12.109 4.286 18 HE2 MET 1 HE2 MET 1 -15.152 -13.430 3.161 19 HE3 MET 1 HE3 MET 1 -16.808 -12.913 3.464 20 HA PRO 2 HA PRO 2 -9.705 -7.034 -1.084 21 HB2 PRO 2 HB2 PRO 2 -8.340 -8.557 -2.986 22 HB3 PRO 2 HB1 PRO 2 -7.772 -7.996 -1.392 23 HG2 PRO 2 HG2 PRO 2 -8.927 -10.660 -2.108 24 HG3 PRO 2 HG1 PRO 2 -7.534 -10.281 -1.080 25 HD2 PRO 2 HD2 PRO 2 -9.950 -10.828 0.021 26 HD3 PRO 2 HD1 PRO 2 -8.928 -9.595 0.727 27 H PHE 3 HN PHE 3 -11.416 -6.217 -1.789 28 HA PHE 3 HA PHE 3 -12.108 -6.612 -4.615 29 HB2 PHE 3 HB2 PHE 3 -13.808 -7.855 -3.290 30 HB3 PHE 3 HB1 PHE 3 -14.125 -6.407 -2.352 31 HD1 PHE 3 HD2 PHE 3 -14.472 -7.971 -5.661 32 HD2 PHE 3 HD1 PHE 3 -15.578 -4.700 -3.174 33 HE1 PHE 3 HE2 PHE 3 -16.224 -7.341 -7.267 34 HE2 PHE 3 HE1 PHE 3 -17.331 -4.065 -4.777 35 HZ PHE 3 HZ PHE 3 -17.652 -5.389 -6.827 36 H ALA 4 HN ALA 4 -12.873 -4.806 -1.692 37 HA ALA 4 HA ALA 4 -13.170 -2.300 -3.059 38 HB1 ALA 4 HB1 ALA 4 -13.506 -1.433 -0.797 39 HB2 ALA 4 HB2 ALA 4 -12.959 -2.970 -0.124 40 HB3 ALA 4 HB3 ALA 4 -14.450 -2.888 -1.061 41 H GLU 5 HN GLU 5 -10.778 -3.993 -1.252 42 HA GLU 5 HA GLU 5 -8.795 -2.008 -0.948 43 HB2 GLU 5 HB2 GLU 5 -8.458 -5.013 -1.242 44 HB3 GLU 5 HB1 GLU 5 -7.282 -3.911 -0.568 45 HG2 GLU 5 HG2 GLU 5 -8.340 -5.178 1.199 46 HG3 GLU 5 HG1 GLU 5 -8.794 -3.484 1.333 47 H ASP 6 HN ASP 6 -9.737 -4.242 -3.379 48 HA ASP 6 HA ASP 6 -7.465 -3.967 -5.080 49 HB2 ASP 6 HB2 ASP 6 -8.750 -5.988 -5.170 50 HB3 ASP 6 HB1 ASP 6 -10.222 -5.095 -5.545 51 H LYS 7 HN LYS 7 -10.718 -2.590 -4.992 52 HA LYS 7 HA LYS 7 -10.587 -0.974 -7.293 53 HB2 LYS 7 HB2 LYS 7 -11.950 -0.356 -4.659 54 HB3 LYS 7 HB1 LYS 7 -12.271 0.457 -6.178 55 HG2 LYS 7 HG2 LYS 7 -12.783 -2.450 -5.603 56 HG3 LYS 7 HG1 LYS 7 -13.998 -1.171 -5.606 57 HD2 LYS 7 HD2 LYS 7 -13.548 -0.758 -7.976 58 HD3 LYS 7 HD1 LYS 7 -12.322 -2.030 -7.965 59 HE2 LYS 7 HE2 LYS 7 -14.027 -3.663 -7.346 60 HE3 LYS 7 HE1 LYS 7 -15.234 -2.378 -7.344 61 HZ1 LYS 7 HZ1 LYS 7 -15.180 -3.729 -9.429 62 HZ2 LYS 7 HZ2 LYS 7 -13.642 -3.106 -9.759 63 HZ3 LYS 7 HZ3 LYS 7 -14.961 -2.087 -9.679 64 H THR 8 HN THR 8 -9.593 -0.451 -3.979 65 HA THR 8 HA THR 8 -8.615 2.144 -4.210 66 HB THR 8 HB THR 8 -7.690 -0.095 -2.382 67 HG1 THR 8 HG1 THR 8 -9.924 0.305 -2.100 68 HG21 THR 8 HG21 THR 8 -6.107 1.796 -2.391 69 HG22 THR 8 HG22 THR 8 -6.974 1.727 -0.863 70 HG23 THR 8 HG23 THR 8 -7.434 2.916 -2.081 71 H TYR 9 HN TYR 9 -6.915 -0.996 -4.495 72 HA TYR 9 HA TYR 9 -4.379 -0.072 -5.076 73 HB2 TYR 9 HB2 TYR 9 -4.695 -2.438 -4.666 74 HB3 TYR 9 HB1 TYR 9 -5.742 -2.587 -6.073 75 HD1 TYR 9 HD2 TYR 9 -2.223 -1.962 -5.028 76 HD2 TYR 9 HD1 TYR 9 -4.837 -2.995 -8.218 77 HE1 TYR 9 HE2 TYR 9 -0.278 -2.510 -6.464 78 HE2 TYR 9 HE1 TYR 9 -2.905 -3.529 -9.641 79 HH TYR 9 HH TYR 9 0.244 -3.834 -8.423 80 H LYS 10 HN LYS 10 -6.913 -0.893 -7.464 81 HA LYS 10 HA LYS 10 -5.291 0.007 -9.573 82 HB2 LYS 10 HB2 LYS 10 -8.118 -0.873 -9.461 83 HB3 LYS 10 HB1 LYS 10 -7.527 -0.036 -10.898 84 HG2 LYS 10 HG2 LYS 10 -5.658 -1.663 -11.008 85 HG3 LYS 10 HG1 LYS 10 -6.407 -2.542 -9.683 86 HD2 LYS 10 HD2 LYS 10 -7.890 -1.933 -12.218 87 HD3 LYS 10 HD1 LYS 10 -6.831 -3.331 -12.036 88 HE2 LYS 10 HE2 LYS 10 -9.131 -2.726 -10.177 89 HE3 LYS 10 HE1 LYS 10 -9.263 -3.766 -11.595 90 HZ1 LYS 10 HZ1 LYS 10 -7.755 -5.312 -10.660 91 HZ2 LYS 10 HZ2 LYS 10 -8.812 -4.935 -9.401 92 HZ3 LYS 10 HZ3 LYS 10 -7.296 -4.274 -9.438 93 H TYR 11 HN TYR 11 -7.409 1.713 -7.501 94 HA TYR 11 HA TYR 11 -7.780 4.026 -9.105 95 HB2 TYR 11 HB2 TYR 11 -8.907 3.408 -6.822 96 HB3 TYR 11 HB1 TYR 11 -7.426 3.998 -6.120 97 HD1 TYR 11 HD2 TYR 11 -10.386 5.005 -8.021 98 HD2 TYR 11 HD1 TYR 11 -6.915 6.334 -5.967 99 HE1 TYR 11 HE2 TYR 11 -11.236 7.295 -8.078 100 HE2 TYR 11 HE1 TYR 11 -7.767 8.637 -6.020 101 HH TYR 11 HH TYR 11 -9.314 9.964 -7.380 102 H ILE 12 HN ILE 12 -5.499 3.070 -6.645 103 HA ILE 12 HA ILE 12 -3.831 5.355 -6.794 104 HB ILE 12 HB ILE 12 -3.324 2.588 -5.626 105 HG12 ILE 12 HG12 ILE 12 -5.286 3.700 -4.664 106 HG13 ILE 12 HG11 ILE 12 -3.997 3.529 -3.472 107 HG21 ILE 12 HG21 ILE 12 -1.211 3.772 -5.938 108 HG22 ILE 12 HG22 ILE 12 -1.615 3.593 -4.229 109 HG23 ILE 12 HG23 ILE 12 -1.847 5.151 -5.031 110 HD11 ILE 12 HD11 ILE 12 -3.441 5.914 -3.809 111 HD12 ILE 12 HD12 ILE 12 -5.102 5.674 -3.268 112 HD13 ILE 12 HD13 ILE 12 -4.775 6.045 -4.956 113 H CYS 13 HN CYS 13 -4.092 2.561 -8.763 114 HA CYS 13 HA CYS 13 -1.450 2.569 -9.795 115 HB2 CYS 13 HB2 CYS 13 -4.016 1.629 -11.087 116 HB3 CYS 13 HB1 CYS 13 -2.409 1.346 -11.745 117 HG CYS 13 HG CYS 13 -3.246 0.307 -8.633 118 H ARG 14 HN ARG 14 -4.250 4.527 -10.421 119 HA ARG 14 HA ARG 14 -3.186 5.563 -12.880 120 HB2 ARG 14 HB2 ARG 14 -5.629 5.472 -12.552 121 HB3 ARG 14 HB1 ARG 14 -5.498 6.611 -11.205 122 HG2 ARG 14 HG2 ARG 14 -6.303 7.636 -13.231 123 HG3 ARG 14 HG1 ARG 14 -4.689 8.178 -12.742 124 HD2 ARG 14 HD2 ARG 14 -4.929 7.745 -15.229 125 HD3 ARG 14 HD1 ARG 14 -3.614 6.892 -14.430 126 HE ARG 14 HE ARG 14 -6.209 5.589 -14.880 127 HH11 ARG 14 HH11 ARG 14 -2.710 5.681 -15.509 128 HH12 ARG 14 HH12 ARG 14 -2.666 4.100 -16.125 129 HH21 ARG 14 HH21 ARG 14 -6.107 3.439 -15.731 130 HH22 ARG 14 HH22 ARG 14 -4.619 2.788 -16.241 131 H ASN 15 HN ASN 15 -3.557 6.679 -9.573 132 HA ASN 15 HA ASN 15 -1.988 9.077 -10.155 133 HB2 ASN 15 HB2 ASN 15 -2.604 9.808 -7.856 134 HB3 ASN 15 HB1 ASN 15 -4.023 9.302 -8.779 135 HD21 ASN 15 HD21 ASN 15 -5.193 7.609 -8.156 136 HD22 ASN 15 HD22 ASN 15 -4.885 6.771 -6.681 137 H PHE 16 HN PHE 16 -1.034 6.243 -10.015 138 HA PHE 16 HA PHE 16 0.513 5.642 -7.812 139 HB2 PHE 16 HB2 PHE 16 0.080 4.127 -9.777 140 HB3 PHE 16 HB1 PHE 16 1.330 5.000 -10.651 141 HD1 PHE 16 HD1 PHE 16 0.675 2.790 -7.774 142 HD2 PHE 16 HD2 PHE 16 3.655 4.558 -10.254 143 HE1 PHE 16 HE1 PHE 16 2.372 1.306 -6.792 144 HE2 PHE 16 HE2 PHE 16 5.354 3.077 -9.263 145 HZ PHE 16 HZ PHE 16 4.711 1.450 -7.532 146 H SER 17 HN SER 17 1.275 7.813 -10.429 147 HA SER 17 HA SER 17 3.950 8.267 -10.141 148 HB2 SER 17 HB2 SER 17 1.865 10.398 -10.561 149 HB3 SER 17 HB1 SER 17 3.474 10.280 -11.288 150 HG SER 17 HG SER 17 2.788 8.408 -12.369 151 H ASN 18 HN ASN 18 1.244 9.492 -8.230 152 HA ASN 18 HA ASN 18 2.658 11.395 -6.654 153 HB2 ASN 18 HB2 ASN 18 0.259 11.590 -6.992 154 HB3 ASN 18 HB1 ASN 18 -0.011 10.004 -6.300 155 HD21 ASN 18 HD21 ASN 18 -1.479 10.845 -4.826 156 HD22 ASN 18 HD22 ASN 18 -0.998 11.752 -3.464 157 H PHE 19 HN PHE 19 1.752 8.004 -6.227 158 HA PHE 19 HA PHE 19 2.974 7.961 -3.601 159 HB2 PHE 19 HB2 PHE 19 1.294 5.983 -5.116 160 HB3 PHE 19 HB1 PHE 19 2.130 5.549 -3.630 161 HD1 PHE 19 HD2 PHE 19 -0.519 7.656 -5.081 162 HD2 PHE 19 HD1 PHE 19 1.357 6.313 -1.510 163 HE1 PHE 19 HE2 PHE 19 -2.376 8.582 -3.760 164 HE2 PHE 19 HE1 PHE 19 -0.496 7.235 -0.184 165 HZ PHE 19 HZ PHE 19 -2.366 8.372 -1.310 166 H CYS 20 HN CYS 20 4.238 7.898 -6.493 167 HA CYS 20 HA CYS 20 6.002 5.635 -6.019 168 HB2 CYS 20 HB2 CYS 20 5.121 5.991 -8.326 169 HB3 CYS 20 HB1 CYS 20 5.925 7.555 -8.375 170 HG CYS 20 HG CYS 20 8.396 6.109 -7.766 171 H ASN 21 HN ASN 21 5.776 8.639 -4.984 172 HA ASN 21 HA ASN 21 8.632 8.737 -4.448 173 HB2 ASN 21 HB2 ASN 21 8.057 10.590 -6.063 174 HB3 ASN 21 HB1 ASN 21 6.890 11.200 -4.896 175 HD21 ASN 21 HD21 ASN 21 10.283 10.847 -5.651 176 HD22 ASN 21 HD22 ASN 21 10.856 11.930 -4.441 177 H VAL 22 HN VAL 22 7.930 7.459 -2.721 178 HA VAL 22 HA VAL 22 7.049 9.009 -0.447 179 HB VAL 22 HB VAL 22 5.067 7.878 -1.742 180 HG11 VAL 22 HG11 VAL 22 5.946 5.750 -2.119 181 HG12 VAL 22 HG12 VAL 22 4.491 5.658 -1.109 182 HG13 VAL 22 HG13 VAL 22 6.082 5.466 -0.377 183 HG21 VAL 22 HG21 VAL 22 4.782 8.909 0.420 184 HG22 VAL 22 HG22 VAL 22 5.350 7.443 1.220 185 HG23 VAL 22 HG23 VAL 22 3.836 7.426 0.316 186 H ASP 23 HN ASP 23 7.160 7.319 1.544 187 HA ASP 23 HA ASP 23 9.777 6.110 1.274 188 HB2 ASP 23 HB2 ASP 23 8.974 7.519 3.354 189 HB3 ASP 23 HB1 ASP 23 8.136 6.044 3.803 190 H VAL 24 HN VAL 24 9.776 3.970 2.844 191 HA VAL 24 HA VAL 24 7.691 2.111 1.960 192 HB VAL 24 HB VAL 24 10.606 1.385 1.565 193 HG11 VAL 24 HG11 VAL 24 9.113 -0.482 1.870 194 HG12 VAL 24 HG12 VAL 24 9.708 -0.403 0.199 195 HG13 VAL 24 HG13 VAL 24 8.081 0.131 0.567 196 HG21 VAL 24 HG21 VAL 24 10.314 1.614 -0.858 197 HG22 VAL 24 HG22 VAL 24 10.136 3.163 -0.025 198 HG23 VAL 24 HG23 VAL 24 8.706 2.287 -0.579 199 H VAL 25 HN VAL 25 10.732 2.678 3.627 200 HA VAL 25 HA VAL 25 10.434 0.369 5.269 201 HB VAL 25 HB VAL 25 12.496 1.124 6.366 202 HG11 VAL 25 HG11 VAL 25 13.942 0.642 4.363 203 HG12 VAL 25 HG12 VAL 25 12.533 0.903 3.332 204 HG13 VAL 25 HG13 VAL 25 12.549 -0.432 4.465 205 HG21 VAL 25 HG21 VAL 25 12.467 3.302 4.271 206 HG22 VAL 25 HG22 VAL 25 13.833 2.921 5.324 207 HG23 VAL 25 HG23 VAL 25 12.327 3.529 6.014 208 H GLU 26 HN GLU 26 9.737 3.746 5.616 209 HA GLU 26 HA GLU 26 9.124 3.462 8.397 210 HB2 GLU 26 HB2 GLU 26 8.984 5.595 6.347 211 HB3 GLU 26 HB1 GLU 26 8.074 5.798 7.820 212 HG2 GLU 26 HG2 GLU 26 10.239 5.442 9.073 213 HG3 GLU 26 HG1 GLU 26 11.057 5.421 7.517 214 H ILE 27 HN ILE 27 7.780 2.239 5.875 215 HA ILE 27 HA ILE 27 4.967 2.504 6.789 216 HB ILE 27 HB ILE 27 6.157 1.789 4.091 217 HG12 ILE 27 HG12 ILE 27 4.305 4.030 4.931 218 HG13 ILE 27 HG11 ILE 27 6.018 4.176 4.566 219 HG21 ILE 27 HG21 ILE 27 4.319 0.260 4.430 220 HG22 ILE 27 HG22 ILE 27 3.898 1.457 3.209 221 HG23 ILE 27 HG23 ILE 27 3.242 1.595 4.838 222 HD11 ILE 27 HD11 ILE 27 3.861 3.399 2.617 223 HD12 ILE 27 HD12 ILE 27 5.583 3.563 2.255 224 HD13 ILE 27 HD13 ILE 27 4.642 4.976 2.738 225 H LEU 28 HN LEU 28 7.463 0.204 5.838 226 HA LEU 28 HA LEU 28 6.107 -2.156 6.015 227 HB2 LEU 28 HB2 LEU 28 8.957 -1.664 6.875 228 HB3 LEU 28 HB1 LEU 28 8.262 -3.251 6.632 229 HG LEU 28 HG LEU 28 8.559 -1.146 4.490 230 HD11 LEU 28 HD11 LEU 28 10.335 -2.573 3.629 231 HD12 LEU 28 HD12 LEU 28 10.159 -3.637 5.024 232 HD13 LEU 28 HD13 LEU 28 10.715 -1.977 5.243 233 HD21 LEU 28 HD21 LEU 28 7.755 -4.050 4.328 234 HD22 LEU 28 HD22 LEU 28 8.031 -2.981 2.961 235 HD23 LEU 28 HD23 LEU 28 6.692 -2.665 4.062 236 HA PRO 29 HA PRO 29 6.713 -2.796 10.766 237 HB2 PRO 29 HB2 PRO 29 7.417 -0.730 12.354 238 HB3 PRO 29 HB1 PRO 29 8.621 -1.741 11.549 239 HG2 PRO 29 HG2 PRO 29 7.554 0.938 10.731 240 HG3 PRO 29 HG1 PRO 29 9.236 0.377 10.778 241 HD2 PRO 29 HD2 PRO 29 7.811 0.441 8.485 242 HD3 PRO 29 HD1 PRO 29 9.034 -0.803 8.814 243 H TYR 30 HN TYR 30 4.980 -0.567 9.155 244 HA TYR 30 HA TYR 30 3.125 -0.095 11.333 245 HB2 TYR 30 HB2 TYR 30 3.803 1.315 8.812 246 HB3 TYR 30 HB1 TYR 30 2.208 1.593 9.440 247 HD1 TYR 30 HD1 TYR 30 1.996 2.681 11.690 248 HD2 TYR 30 HD2 TYR 30 5.768 2.249 9.795 249 HE1 TYR 30 HE1 TYR 30 2.942 4.359 13.220 250 HE2 TYR 30 HE2 TYR 30 6.734 3.933 11.315 251 HH TYR 30 HH TYR 30 5.188 4.911 14.122 252 H LEU 31 HN LEU 31 3.686 -2.110 8.701 253 HA LEU 31 HA LEU 31 0.856 -2.809 8.505 254 HB2 LEU 31 HB2 LEU 31 3.098 -3.021 6.515 255 HB3 LEU 31 HB1 LEU 31 1.673 -4.019 6.383 256 HG LEU 31 HG LEU 31 0.298 -1.965 6.126 257 HD11 LEU 31 HD11 LEU 31 1.353 0.131 5.636 258 HD12 LEU 31 HD12 LEU 31 2.914 -0.549 6.105 259 HD13 LEU 31 HD13 LEU 31 1.620 -0.393 7.300 260 HD21 LEU 31 HD21 LEU 31 1.045 -1.438 3.874 261 HD22 LEU 31 HD22 LEU 31 1.114 -3.177 4.183 262 HD23 LEU 31 HD23 LEU 31 2.591 -2.210 4.223 263 HA PRO 32 HA PRO 32 2.683 -6.527 10.377 264 HB2 PRO 32 HB2 PRO 32 0.724 -7.072 12.090 265 HB3 PRO 32 HB1 PRO 32 1.825 -5.725 12.392 266 HG2 PRO 32 HG2 PRO 32 -0.986 -5.678 11.392 267 HG3 PRO 32 HG1 PRO 32 -0.161 -4.547 12.471 268 HD2 PRO 32 HD2 PRO 32 -0.566 -4.198 9.715 269 HD3 PRO 32 HD1 PRO 32 0.555 -3.271 10.728 270 H CYS 33 HN CYS 33 0.636 -6.126 8.013 271 HA CYS 33 HA CYS 33 -0.857 -8.593 8.214 272 HB2 CYS 33 HB2 CYS 33 -1.822 -7.803 5.998 273 HB3 CYS 33 HB1 CYS 33 -2.132 -6.798 7.410 274 HG CYS 33 HG CYS 33 -1.608 -5.383 4.951 275 H LEU 34 HN LEU 34 2.128 -7.623 6.975 276 HA LEU 34 HA LEU 34 2.156 -9.782 5.001 277 HB2 LEU 34 HB2 LEU 34 4.130 -7.577 5.471 278 HB3 LEU 34 HB1 LEU 34 4.333 -8.871 4.314 279 HG LEU 34 HG LEU 34 2.038 -7.963 3.420 280 HD11 LEU 34 HD11 LEU 34 3.230 -5.518 4.691 281 HD12 LEU 34 HD12 LEU 34 1.699 -6.288 5.113 282 HD13 LEU 34 HD13 LEU 34 1.901 -5.537 3.530 283 HD21 LEU 34 HD21 LEU 34 3.306 -6.641 1.817 284 HD22 LEU 34 HD22 LEU 34 4.030 -8.209 2.216 285 HD23 LEU 34 HD23 LEU 34 4.717 -6.734 2.895 286 H THR 35 HN THR 35 4.243 -11.006 4.914 287 HA THR 35 HA THR 35 4.932 -11.935 7.516 288 HB THR 35 HB THR 35 6.457 -13.343 5.804 289 HG1 THR 35 HG1 THR 35 5.643 -13.351 3.811 290 HG21 THR 35 HG21 THR 35 3.467 -13.674 6.149 291 HG22 THR 35 HG22 THR 35 4.692 -14.263 7.271 292 HG23 THR 35 HG23 THR 35 4.588 -14.937 5.647 293 H ALA 36 HN ALA 36 7.027 -11.850 8.345 294 HA ALA 36 HA ALA 36 8.397 -9.462 8.123 295 HB1 ALA 36 HB1 ALA 36 10.146 -10.483 9.464 296 HB2 ALA 36 HB2 ALA 36 9.506 -12.084 9.093 297 HB3 ALA 36 HB3 ALA 36 8.554 -10.958 10.054 298 H ARG 37 HN ARG 37 9.207 -12.580 6.626 299 HA ARG 37 HA ARG 37 11.580 -11.810 5.373 300 HB2 ARG 37 HB2 ARG 37 9.527 -13.909 4.790 301 HB3 ARG 37 HB1 ARG 37 11.028 -13.774 3.890 302 HG2 ARG 37 HG2 ARG 37 12.323 -14.270 5.813 303 HG3 ARG 37 HG1 ARG 37 10.926 -14.077 6.874 304 HD2 ARG 37 HD2 ARG 37 11.475 -16.435 6.511 305 HD3 ARG 37 HD1 ARG 37 9.881 -16.016 5.892 306 HE ARG 37 HE ARG 37 12.096 -15.994 4.016 307 HH11 ARG 37 HH11 ARG 37 9.220 -17.661 5.276 308 HH12 ARG 37 HH12 ARG 37 9.112 -18.751 3.977 309 HH21 ARG 37 HH21 ARG 37 11.940 -17.524 2.232 310 HH22 ARG 37 HH22 ARG 37 10.701 -18.693 2.219 311 H ASP 38 HN ASP 38 8.243 -11.437 4.441 312 HA ASP 38 HA ASP 38 8.706 -10.921 1.654 313 HB2 ASP 38 HB2 ASP 38 6.470 -11.631 2.871 314 HB3 ASP 38 HB1 ASP 38 6.347 -9.919 3.199 315 H GLN 39 HN GLN 39 8.200 -9.020 4.530 316 HA GLN 39 HA GLN 39 8.397 -6.449 3.284 317 HB2 GLN 39 HB2 GLN 39 8.776 -7.201 6.179 318 HB3 GLN 39 HB1 GLN 39 8.432 -5.589 5.569 319 HG2 GLN 39 HG2 GLN 39 6.260 -6.379 4.760 320 HG3 GLN 39 HG1 GLN 39 6.599 -7.978 5.412 321 HE21 GLN 39 HE21 GLN 39 5.706 -4.759 6.100 322 HE22 GLN 39 HE22 GLN 39 5.299 -4.995 7.754 323 H ASP 40 HN ASP 40 10.566 -8.689 4.734 324 HA ASP 40 HA ASP 40 12.857 -7.116 5.168 325 HB2 ASP 40 HB2 ASP 40 12.493 -9.467 5.993 326 HB3 ASP 40 HB1 ASP 40 12.762 -10.029 4.353 327 H ARG 41 HN ARG 41 11.809 -9.018 2.395 328 HA ARG 41 HA ARG 41 13.973 -8.426 0.682 329 HB2 ARG 41 HB2 ARG 41 11.106 -9.057 -0.035 330 HB3 ARG 41 HB1 ARG 41 12.445 -9.059 -1.175 331 HG2 ARG 41 HG2 ARG 41 12.174 -10.865 1.221 332 HG3 ARG 41 HG1 ARG 41 11.837 -11.306 -0.452 333 HD2 ARG 41 HD2 ARG 41 14.166 -10.894 -1.045 334 HD3 ARG 41 HD1 ARG 41 14.512 -10.400 0.610 335 HE ARG 41 HE ARG 41 13.689 -12.726 1.163 336 HH11 ARG 41 HH11 ARG 41 15.560 -11.935 -1.768 337 HH12 ARG 41 HH12 ARG 41 16.289 -13.454 -1.867 338 HH21 ARG 41 HH21 ARG 41 14.734 -14.805 1.001 339 HH22 ARG 41 HH22 ARG 41 15.812 -15.137 -0.279 340 H LEU 42 HN LEU 42 10.971 -6.752 1.308 341 HA LEU 42 HA LEU 42 11.249 -4.781 -0.685 342 HB2 LEU 42 HB2 LEU 42 9.750 -4.739 1.943 343 HB3 LEU 42 HB1 LEU 42 9.644 -3.463 0.747 344 HG LEU 42 HG LEU 42 8.844 -6.329 0.189 345 HD11 LEU 42 HD11 LEU 42 7.110 -3.965 0.902 346 HD12 LEU 42 HD12 LEU 42 7.404 -5.362 1.932 347 HD13 LEU 42 HD13 LEU 42 6.541 -5.556 0.406 348 HD21 LEU 42 HD21 LEU 42 9.444 -4.963 -1.781 349 HD22 LEU 42 HD22 LEU 42 8.232 -3.764 -1.289 350 HD23 LEU 42 HD23 LEU 42 7.734 -5.383 -1.735 351 H ARG 43 HN ARG 43 12.097 -4.757 2.764 352 HA ARG 43 HA ARG 43 13.212 -2.179 2.801 353 HB2 ARG 43 HB2 ARG 43 12.628 -3.466 4.829 354 HB3 ARG 43 HB1 ARG 43 13.977 -4.550 4.516 355 HG2 ARG 43 HG2 ARG 43 15.532 -2.682 4.776 356 HG3 ARG 43 HG1 ARG 43 14.180 -1.603 5.115 357 HD2 ARG 43 HD2 ARG 43 15.251 -2.334 7.175 358 HD3 ARG 43 HD1 ARG 43 13.599 -2.950 7.071 359 HE ARG 43 HE ARG 43 15.319 -4.848 5.981 360 HH11 ARG 43 HH11 ARG 43 14.588 -3.459 9.149 361 HH12 ARG 43 HH12 ARG 43 15.062 -4.830 10.012 362 HH21 ARG 43 HH21 ARG 43 15.918 -6.722 7.118 363 HH22 ARG 43 HH22 ARG 43 15.846 -6.774 8.816 364 H ALA 44 HN ALA 44 14.630 -5.295 2.033 365 HA ALA 44 HA ALA 44 17.306 -4.495 1.767 366 HB1 ALA 44 HB1 ALA 44 15.827 -6.664 0.278 367 HB2 ALA 44 HB2 ALA 44 16.616 -6.845 1.844 368 HB3 ALA 44 HB3 ALA 44 17.580 -6.509 0.400 369 H THR 45 HN THR 45 14.766 -4.805 -0.704 370 HA THR 45 HA THR 45 16.298 -3.853 -2.864 371 HB THR 45 HB THR 45 13.285 -3.694 -2.548 372 HG1 THR 45 HG1 THR 45 13.833 -5.803 -2.149 373 HG21 THR 45 HG21 THR 45 14.185 -2.535 -4.535 374 HG22 THR 45 HG22 THR 45 13.292 -3.982 -5.002 375 HG23 THR 45 HG23 THR 45 15.056 -3.999 -4.993 376 H CYS 46 HN CYS 46 14.342 -2.217 -0.463 377 HA CYS 46 HA CYS 46 14.206 0.375 -1.533 378 HB2 CYS 46 HB2 CYS 46 12.979 -0.624 0.448 379 HB3 CYS 46 HB1 CYS 46 14.436 -0.418 1.366 380 HG CYS 46 HG CYS 46 13.873 2.552 0.156 381 H THR 47 HN THR 47 16.545 -1.288 0.362 382 HA THR 47 HA THR 47 18.307 0.955 0.677 383 HB THR 47 HB THR 47 18.802 -1.994 1.177 384 HG1 THR 47 HG1 THR 47 17.111 -1.323 2.441 385 HG21 THR 47 HG21 THR 47 20.880 -0.652 1.071 386 HG22 THR 47 HG22 THR 47 20.559 -1.197 2.720 387 HG23 THR 47 HG23 THR 47 20.214 0.466 2.261 388 H LEU 48 HN LEU 48 18.176 -1.927 -1.350 389 HA LEU 48 HA LEU 48 20.685 -1.562 -2.584 390 HB2 LEU 48 HB2 LEU 48 18.310 -3.192 -3.434 391 HB3 LEU 48 HB1 LEU 48 19.884 -3.293 -4.189 392 HG LEU 48 HG LEU 48 19.267 -3.988 -1.315 393 HD11 LEU 48 HD11 LEU 48 19.692 -6.280 -1.984 394 HD12 LEU 48 HD12 LEU 48 19.929 -5.752 -3.648 395 HD13 LEU 48 HD13 LEU 48 18.344 -5.592 -2.890 396 HD21 LEU 48 HD21 LEU 48 21.834 -4.237 -2.882 397 HD22 LEU 48 HD22 LEU 48 21.555 -4.898 -1.278 398 HD23 LEU 48 HD23 LEU 48 21.537 -3.152 -1.521 399 H SER 49 HN SER 49 17.427 -1.090 -4.028 400 HA SER 49 HA SER 49 18.765 0.388 -6.171 401 HB2 SER 49 HB2 SER 49 17.009 -1.448 -6.698 402 HB3 SER 49 HB1 SER 49 15.824 -0.344 -6.025 403 HG SER 49 HG SER 49 15.773 0.610 -7.925 404 H GLY 50 HN GLY 50 15.904 0.750 -4.028 405 HA2 GLY 50 HA2 GLY 50 16.278 3.089 -2.923 406 HA3 GLY 50 HA1 GLY 50 15.777 3.545 -4.557 407 H ASN 51 HN ASN 51 13.894 4.413 -3.298 408 HA ASN 51 HA ASN 51 12.121 2.570 -2.099 409 HB2 ASN 51 HB2 ASN 51 12.039 5.488 -2.754 410 HB3 ASN 51 HB1 ASN 51 10.617 4.621 -2.211 411 HD21 ASN 51 HD21 ASN 51 10.484 5.785 -0.399 412 HD22 ASN 51 HD22 ASN 51 11.624 5.651 0.893 413 H ARG 52 HN ARG 52 12.208 4.452 -5.020 414 HA ARG 52 HA ARG 52 9.712 4.205 -6.056 415 HB2 ARG 52 HB2 ARG 52 11.339 5.633 -7.044 416 HB3 ARG 52 HB1 ARG 52 12.392 4.294 -7.437 417 HG2 ARG 52 HG2 ARG 52 10.476 3.536 -8.986 418 HG3 ARG 52 HG1 ARG 52 9.892 5.196 -8.805 419 HD2 ARG 52 HD2 ARG 52 11.328 5.036 -10.765 420 HD3 ARG 52 HD1 ARG 52 12.107 6.026 -9.526 421 HE ARG 52 HE ARG 52 12.768 3.190 -9.593 422 HH11 ARG 52 HH11 ARG 52 13.842 6.467 -10.483 423 HH12 ARG 52 HH12 ARG 52 15.482 6.047 -10.559 424 HH21 ARG 52 HH21 ARG 52 15.005 2.629 -9.691 425 HH22 ARG 52 HH22 ARG 52 16.163 3.833 -10.104 426 H ASP 53 HN ASP 53 12.400 1.906 -6.631 427 HA ASP 53 HA ASP 53 10.896 0.246 -8.328 428 HB2 ASP 53 HB2 ASP 53 13.506 -0.026 -6.898 429 HB3 ASP 53 HB1 ASP 53 12.877 -1.340 -7.862 430 H THR 54 HN THR 54 11.643 0.289 -4.954 431 HA THR 54 HA THR 54 10.691 -2.262 -4.272 432 HB THR 54 HB THR 54 11.005 0.228 -2.593 433 HG1 THR 54 HG1 THR 54 13.038 -0.095 -3.115 434 HG21 THR 54 HG21 THR 54 9.742 -1.594 -1.491 435 HG22 THR 54 HG22 THR 54 11.318 -1.331 -0.742 436 HG23 THR 54 HG23 THR 54 11.076 -2.699 -1.827 437 H LEU 55 HN LEU 55 9.231 0.945 -4.401 438 HA LEU 55 HA LEU 55 6.804 0.559 -3.127 439 HB2 LEU 55 HB2 LEU 55 7.302 2.207 -5.615 440 HB3 LEU 55 HB1 LEU 55 5.934 2.382 -4.537 441 HG LEU 55 HG LEU 55 8.803 2.874 -3.715 442 HD11 LEU 55 HD11 LEU 55 8.318 5.206 -3.860 443 HD12 LEU 55 HD12 LEU 55 6.635 4.904 -4.143 444 HD13 LEU 55 HD13 LEU 55 7.811 4.525 -5.412 445 HD21 LEU 55 HD21 LEU 55 6.250 3.634 -2.465 446 HD22 LEU 55 HD22 LEU 55 7.901 3.890 -1.841 447 HD23 LEU 55 HD23 LEU 55 7.226 2.241 -1.948 448 H TRP 56 HN TRP 56 7.755 -0.282 -6.383 449 HA TRP 56 HA TRP 56 5.213 -0.991 -7.352 450 HB2 TRP 56 HB2 TRP 56 7.226 -0.564 -8.766 451 HB3 TRP 56 HB1 TRP 56 7.896 -2.095 -8.213 452 HD1 TRP 56 HD1 TRP 56 7.183 -4.227 -9.530 453 HE1 TRP 56 HE1 TRP 56 5.575 -4.678 -11.488 454 HE3 TRP 56 HE3 TRP 56 4.863 0.324 -9.749 455 HZ2 TRP 56 HZ2 TRP 56 3.586 -3.292 -12.929 456 HZ3 TRP 56 HZ3 TRP 56 3.117 0.676 -11.441 457 HH2 TRP 56 HH2 TRP 56 2.496 -1.092 -12.999 458 H HIS 57 HN HIS 57 7.744 -2.859 -5.732 459 HA HIS 57 HA HIS 57 6.317 -5.349 -5.876 460 HB2 HIS 57 HB2 HIS 57 8.655 -4.569 -4.105 461 HB3 HIS 57 HB1 HIS 57 8.034 -6.200 -4.295 462 HD1 HIS 57 HD1 HIS 57 8.639 -7.421 -6.565 463 HD2 HIS 57 HD2 HIS 57 10.297 -3.648 -6.094 464 HE1 HIS 57 HE1 HIS 57 10.431 -7.225 -8.315 465 H LEU 58 HN LEU 58 6.596 -2.729 -3.637 466 HA LEU 58 HA LEU 58 5.479 -3.820 -1.319 467 HB2 LEU 58 HB2 LEU 58 6.626 -1.683 -1.409 468 HB3 LEU 58 HB1 LEU 58 5.386 -1.024 -2.419 469 HG LEU 58 HG LEU 58 3.771 -1.327 -0.488 470 HD11 LEU 58 HD11 LEU 58 5.005 -2.984 0.776 471 HD12 LEU 58 HD12 LEU 58 4.695 -1.548 1.748 472 HD13 LEU 58 HD13 LEU 58 6.296 -1.818 1.067 473 HD21 LEU 58 HD21 LEU 58 4.683 0.854 -1.024 474 HD22 LEU 58 HD22 LEU 58 6.123 0.519 -0.063 475 HD23 LEU 58 HD23 LEU 58 4.549 0.654 0.721 476 H PHE 59 HN PHE 59 3.866 -1.786 -3.745 477 HA PHE 59 HA PHE 59 1.278 -2.321 -2.752 478 HB2 PHE 59 HB2 PHE 59 2.114 -1.345 -5.495 479 HB3 PHE 59 HB1 PHE 59 0.434 -1.514 -4.989 480 HD1 PHE 59 HD1 PHE 59 -0.536 -0.053 -3.331 481 HD2 PHE 59 HD2 PHE 59 3.484 0.457 -4.624 482 HE1 PHE 59 HE1 PHE 59 -0.513 2.206 -2.359 483 HE2 PHE 59 HE2 PHE 59 3.515 2.718 -3.650 484 HZ PHE 59 HZ PHE 59 1.513 3.594 -2.517 485 H ASN 60 HN ASN 60 3.266 -4.116 -4.898 486 HA ASN 60 HA ASN 60 1.301 -5.875 -5.920 487 HB2 ASN 60 HB2 ASN 60 3.364 -5.769 -7.106 488 HB3 ASN 60 HB1 ASN 60 4.293 -6.102 -5.650 489 HD21 ASN 60 HD21 ASN 60 4.644 -8.185 -5.047 490 HD22 ASN 60 HD22 ASN 60 4.164 -9.553 -5.963 491 H THR 61 HN THR 61 3.505 -6.162 -3.124 492 HA THR 61 HA THR 61 2.556 -8.733 -2.405 493 HB THR 61 HB THR 61 3.719 -8.132 -0.169 494 HG1 THR 61 HG1 THR 61 4.949 -6.093 -1.661 495 HG21 THR 61 HG21 THR 61 5.907 -8.519 -1.052 496 HG22 THR 61 HG22 THR 61 5.420 -7.990 -2.669 497 HG23 THR 61 HG23 THR 61 4.770 -9.485 -1.984 498 H LEU 62 HN LEU 62 1.826 -5.455 -1.372 499 HA LEU 62 HA LEU 62 0.127 -5.940 0.717 500 HB2 LEU 62 HB2 LEU 62 0.532 -3.720 -1.163 501 HB3 LEU 62 HB1 LEU 62 -0.979 -3.723 -0.282 502 HG LEU 62 HG LEU 62 0.189 -3.646 1.823 503 HD11 LEU 62 HD11 LEU 62 2.606 -3.431 1.985 504 HD12 LEU 62 HD12 LEU 62 2.746 -3.737 0.252 505 HD13 LEU 62 HD13 LEU 62 2.118 -4.992 1.320 506 HD21 LEU 62 HD21 LEU 62 1.248 -1.453 1.624 507 HD22 LEU 62 HD22 LEU 62 -0.269 -1.552 0.729 508 HD23 LEU 62 HD23 LEU 62 1.270 -1.636 -0.131 509 H GLN 63 HN GLN 63 -0.805 -5.736 -2.743 510 HA GLN 63 HA GLN 63 -3.563 -5.891 -2.065 511 HB2 GLN 63 HB2 GLN 63 -4.079 -6.110 -4.403 512 HB3 GLN 63 HB1 GLN 63 -2.843 -4.884 -4.190 513 HG2 GLN 63 HG2 GLN 63 -1.158 -6.311 -5.045 514 HG3 GLN 63 HG1 GLN 63 -2.226 -7.714 -4.980 515 HE21 GLN 63 HE21 GLN 63 -0.792 -6.590 -7.237 516 HE22 GLN 63 HE22 GLN 63 -1.984 -6.238 -8.419 517 H ARG 64 HN ARG 64 -1.283 -8.275 -1.991 518 HA ARG 64 HA ARG 64 -3.136 -10.428 -2.633 519 HB2 ARG 64 HB2 ARG 64 -0.294 -10.509 -1.621 520 HB3 ARG 64 HB1 ARG 64 -1.250 -11.917 -2.052 521 HG2 ARG 64 HG2 ARG 64 -1.369 -11.083 -4.371 522 HG3 ARG 64 HG1 ARG 64 -0.321 -9.736 -3.908 523 HD2 ARG 64 HD2 ARG 64 0.985 -11.530 -4.925 524 HD3 ARG 64 HD1 ARG 64 1.415 -11.324 -3.231 525 HE ARG 64 HE ARG 64 -0.343 -13.460 -4.254 526 HH11 ARG 64 HH11 ARG 64 2.078 -12.338 -1.887 527 HH12 ARG 64 HH12 ARG 64 2.197 -13.858 -1.140 528 HH21 ARG 64 HH21 ARG 64 -0.125 -15.512 -3.179 529 HH22 ARG 64 HH22 ARG 64 0.957 -15.675 -1.856 530 H ARG 65 HN ARG 65 -2.288 -8.481 -0.039 531 HA ARG 65 HA ARG 65 -2.786 -10.483 2.005 532 HB2 ARG 65 HB2 ARG 65 -2.218 -7.524 2.297 533 HB3 ARG 65 HB1 ARG 65 -2.208 -8.717 3.584 534 HG2 ARG 65 HG2 ARG 65 -0.280 -8.593 1.269 535 HG3 ARG 65 HG1 ARG 65 0.039 -8.073 2.924 536 HD2 ARG 65 HD2 ARG 65 -0.247 -10.361 3.709 537 HD3 ARG 65 HD1 ARG 65 -0.640 -10.891 2.073 538 HE ARG 65 HE ARG 65 1.785 -9.698 1.833 539 HH11 ARG 65 HH11 ARG 65 0.579 -12.344 3.849 540 HH12 ARG 65 HH12 ARG 65 2.078 -13.162 3.880 541 HH21 ARG 65 HH21 ARG 65 3.855 -10.843 1.949 542 HH22 ARG 65 HH22 ARG 65 3.927 -12.292 2.838 543 HA PRO 66 HA PRO 66 -7.081 -9.180 1.790 544 HB2 PRO 66 HB2 PRO 66 -7.410 -10.913 4.151 545 HB3 PRO 66 HB1 PRO 66 -8.185 -11.033 2.569 546 HG2 PRO 66 HG2 PRO 66 -6.304 -12.791 3.377 547 HG3 PRO 66 HG1 PRO 66 -6.490 -12.302 1.683 548 HD2 PRO 66 HD2 PRO 66 -4.474 -11.411 3.698 549 HD3 PRO 66 HD1 PRO 66 -4.283 -11.763 1.964 550 H GLY 67 HN GLY 67 -6.901 -7.108 2.495 551 HA2 GLY 67 HA2 GLY 67 -7.755 -5.587 4.121 552 HA3 GLY 67 HA1 GLY 67 -7.292 -6.729 5.377 553 H TRP 68 HN TRP 68 -5.761 -4.835 2.792 554 HA TRP 68 HA TRP 68 -3.472 -4.457 4.569 555 HB2 TRP 68 HB2 TRP 68 -2.227 -3.744 2.557 556 HB3 TRP 68 HB1 TRP 68 -2.809 -5.387 2.430 557 HD1 TRP 68 HD1 TRP 68 -4.881 -5.780 0.647 558 HE1 TRP 68 HE1 TRP 68 -5.489 -4.504 -1.501 559 HE3 TRP 68 HE3 TRP 68 -2.290 -1.436 1.485 560 HZ2 TRP 68 HZ2 TRP 68 -4.959 -2.008 -2.686 561 HZ3 TRP 68 HZ3 TRP 68 -2.404 0.347 -0.226 562 HH2 TRP 68 HH2 TRP 68 -3.701 0.067 -2.253 563 H VAL 69 HN VAL 69 -6.053 -2.721 3.078 564 HA VAL 69 HA VAL 69 -4.683 -0.277 2.726 565 HB VAL 69 HB VAL 69 -7.678 -0.577 2.935 566 HG11 VAL 69 HG11 VAL 69 -6.878 1.714 3.036 567 HG12 VAL 69 HG12 VAL 69 -7.710 1.414 1.509 568 HG13 VAL 69 HG13 VAL 69 -5.946 1.471 1.559 569 HG21 VAL 69 HG21 VAL 69 -6.822 -2.147 1.279 570 HG22 VAL 69 HG22 VAL 69 -5.907 -0.853 0.507 571 HG23 VAL 69 HG23 VAL 69 -7.672 -0.813 0.496 572 H GLU 70 HN GLU 70 -6.834 -1.406 5.344 573 HA GLU 70 HA GLU 70 -7.040 0.976 6.697 574 HB2 GLU 70 HB2 GLU 70 -7.078 -1.875 7.649 575 HB3 GLU 70 HB1 GLU 70 -7.476 -0.502 8.667 576 HG2 GLU 70 HG2 GLU 70 -9.311 0.093 7.170 577 HG3 GLU 70 HG1 GLU 70 -8.903 -1.270 6.132 578 H TYR 71 HN TYR 71 -4.468 -1.451 6.795 579 HA TYR 71 HA TYR 71 -3.106 -0.153 8.940 580 HB2 TYR 71 HB2 TYR 71 -2.339 -2.425 7.111 581 HB3 TYR 71 HB1 TYR 71 -1.404 -1.882 8.497 582 HD1 TYR 71 HD1 TYR 71 -2.444 -2.038 10.797 583 HD2 TYR 71 HD2 TYR 71 -4.160 -3.915 7.389 584 HE1 TYR 71 HE1 TYR 71 -3.777 -3.480 12.272 585 HE2 TYR 71 HE2 TYR 71 -5.502 -5.362 8.859 586 HH TYR 71 HH TYR 71 -5.349 -6.218 11.164 587 H PHE 72 HN PHE 72 -2.983 -0.268 5.450 588 HA PHE 72 HA PHE 72 -0.494 0.977 5.119 589 HB2 PHE 72 HB2 PHE 72 -1.639 -0.248 3.313 590 HB3 PHE 72 HB1 PHE 72 -2.887 0.986 3.269 591 HD1 PHE 72 HD1 PHE 72 0.820 0.677 2.996 592 HD2 PHE 72 HD2 PHE 72 -2.719 2.616 1.658 593 HE1 PHE 72 HE1 PHE 72 2.135 1.903 1.319 594 HE2 PHE 72 HE2 PHE 72 -1.413 3.850 -0.022 595 HZ PHE 72 HZ PHE 72 1.016 3.494 -0.194 596 H ILE 73 HN ILE 73 -3.757 2.294 5.410 597 HA ILE 73 HA ILE 73 -3.133 5.013 5.011 598 HB ILE 73 HB ILE 73 -5.237 3.833 6.857 599 HG12 ILE 73 HG12 ILE 73 -5.540 4.834 4.015 600 HG13 ILE 73 HG11 ILE 73 -5.362 3.141 4.450 601 HG21 ILE 73 HG21 ILE 73 -4.779 6.203 7.375 602 HG22 ILE 73 HG22 ILE 73 -6.375 6.012 6.656 603 HG23 ILE 73 HG23 ILE 73 -5.042 6.626 5.684 604 HD11 ILE 73 HD11 ILE 73 -7.677 3.739 4.024 605 HD12 ILE 73 HD12 ILE 73 -7.605 4.947 5.309 606 HD13 ILE 73 HD13 ILE 73 -7.446 3.233 5.698 607 H ALA 74 HN ALA 74 -3.067 2.985 7.877 608 HA ALA 74 HA ALA 74 -2.369 5.000 9.718 609 HB1 ALA 74 HB1 ALA 74 -1.908 2.026 9.886 610 HB2 ALA 74 HB2 ALA 74 -3.374 2.868 10.383 611 HB3 ALA 74 HB3 ALA 74 -1.857 3.158 11.235 612 H ALA 75 HN ALA 75 -0.543 3.147 7.451 613 HA ALA 75 HA ALA 75 2.017 3.505 8.598 614 HB1 ALA 75 HB1 ALA 75 1.545 1.800 6.905 615 HB2 ALA 75 HB2 ALA 75 2.881 2.857 6.439 616 HB3 ALA 75 HB3 ALA 75 1.286 3.073 5.713 617 H LEU 76 HN LEU 76 0.420 5.258 5.817 618 HA LEU 76 HA LEU 76 2.360 7.225 5.688 619 HB2 LEU 76 HB2 LEU 76 -0.550 7.209 4.952 620 HB3 LEU 76 HB1 LEU 76 0.508 8.557 4.604 621 HG LEU 76 HG LEU 76 0.180 7.380 2.683 622 HD11 LEU 76 HD11 LEU 76 2.414 6.587 2.015 623 HD12 LEU 76 HD12 LEU 76 2.890 6.604 3.712 624 HD13 LEU 76 HD13 LEU 76 2.444 8.109 2.903 625 HD21 LEU 76 HD21 LEU 76 0.924 4.823 4.056 626 HD22 LEU 76 HD22 LEU 76 0.662 5.006 2.317 627 HD23 LEU 76 HD23 LEU 76 -0.658 5.308 3.440 628 H ARG 77 HN ARG 77 -0.562 6.921 7.607 629 HA ARG 77 HA ARG 77 -0.717 9.483 8.715 630 HB2 ARG 77 HB2 ARG 77 -2.400 7.615 8.973 631 HB3 ARG 77 HB1 ARG 77 -1.297 6.868 10.116 632 HG2 ARG 77 HG2 ARG 77 -2.793 7.959 11.486 633 HG3 ARG 77 HG1 ARG 77 -1.454 9.102 11.385 634 HD2 ARG 77 HD2 ARG 77 -3.417 10.400 11.100 635 HD3 ARG 77 HD1 ARG 77 -2.736 10.186 9.482 636 HE ARG 77 HE ARG 77 -4.555 9.013 8.855 637 HH11 ARG 77 HH11 ARG 77 -4.611 9.259 12.392 638 HH12 ARG 77 HH12 ARG 77 -6.160 8.594 12.566 639 HH21 ARG 77 HH21 ARG 77 -6.701 8.100 9.093 640 HH22 ARG 77 HH22 ARG 77 -7.375 7.888 10.639 641 H GLY 78 HN GLY 78 0.925 6.558 9.906 642 HA2 GLY 78 HA2 GLY 78 2.034 7.624 12.226 643 HA3 GLY 78 HA1 GLY 78 2.598 6.196 11.382 644 H CYS 79 HN CYS 79 3.386 7.411 8.945 645 HA CYS 79 HA CYS 79 5.819 8.600 9.924 646 HB2 CYS 79 HB2 CYS 79 6.657 8.356 7.590 647 HB3 CYS 79 HB1 CYS 79 6.109 6.854 8.312 648 HG CYS 79 HG CYS 79 3.945 6.508 6.883 649 H GLU 80 HN GLU 80 3.051 9.934 9.541 650 HA GLU 80 HA GLU 80 2.341 12.015 9.555 651 HB2 GLU 80 HB2 GLU 80 5.241 12.780 9.328 652 HB3 GLU 80 HB1 GLU 80 3.932 13.897 9.693 653 HG2 GLU 80 HG2 GLU 80 3.385 12.533 11.689 654 HG3 GLU 80 HG1 GLU 80 4.787 11.534 11.341 655 H LEU 81 HN LEU 81 2.791 10.559 7.040 656 HA LEU 81 HA LEU 81 2.734 12.777 5.159 657 HB2 LEU 81 HB2 LEU 81 2.552 9.785 4.707 658 HB3 LEU 81 HB1 LEU 81 2.564 10.994 3.441 659 HG LEU 81 HG LEU 81 4.849 10.472 5.355 660 HD11 LEU 81 HD11 LEU 81 6.007 9.525 3.414 661 HD12 LEU 81 HD12 LEU 81 4.556 9.711 2.444 662 HD13 LEU 81 HD13 LEU 81 4.561 8.607 3.811 663 HD21 LEU 81 HD21 LEU 81 4.807 12.782 4.610 664 HD22 LEU 81 HD22 LEU 81 4.654 12.262 2.933 665 HD23 LEU 81 HD23 LEU 81 6.132 11.916 3.831 666 H VAL 82 HN VAL 82 0.969 13.579 6.260 667 HA VAL 82 HA VAL 82 -1.416 12.247 6.848 668 HB VAL 82 HB VAL 82 -1.023 15.222 6.459 669 HG11 VAL 82 HG11 VAL 82 -2.911 15.473 7.986 670 HG12 VAL 82 HG12 VAL 82 -3.084 13.721 8.045 671 HG13 VAL 82 HG13 VAL 82 -3.377 14.579 6.534 672 HG21 VAL 82 HG21 VAL 82 0.593 14.336 8.037 673 HG22 VAL 82 HG22 VAL 82 -0.696 13.520 8.925 674 HG23 VAL 82 HG23 VAL 82 -0.634 15.280 8.884 675 H ASP 83 HN ASP 83 -0.607 14.354 4.156 676 HA ASP 83 HA ASP 83 -3.208 14.383 3.010 677 HB2 ASP 83 HB2 ASP 83 -0.547 14.940 1.692 678 HB3 ASP 83 HB1 ASP 83 -2.110 15.252 0.956 679 H LEU 84 HN LEU 84 -0.461 12.308 2.596 680 HA LEU 84 HA LEU 84 -1.569 10.898 0.379 681 HB2 LEU 84 HB2 LEU 84 0.664 10.197 2.285 682 HB3 LEU 84 HB1 LEU 84 0.224 9.206 0.909 683 HG LEU 84 HG LEU 84 1.142 12.082 0.659 684 HD11 LEU 84 HD11 LEU 84 2.679 9.523 0.280 685 HD12 LEU 84 HD12 LEU 84 2.958 10.737 1.538 686 HD13 LEU 84 HD13 LEU 84 3.243 11.134 -0.151 687 HD21 LEU 84 HD21 LEU 84 0.826 9.878 -1.366 688 HD22 LEU 84 HD22 LEU 84 1.444 11.499 -1.686 689 HD23 LEU 84 HD23 LEU 84 -0.233 11.276 -1.192 690 H ALA 85 HN ALA 85 -1.396 10.284 3.857 691 HA ALA 85 HA ALA 85 -2.706 7.802 3.911 692 HB1 ALA 85 HB1 ALA 85 -2.782 9.980 5.996 693 HB2 ALA 85 HB2 ALA 85 -1.515 8.771 5.848 694 HB3 ALA 85 HB3 ALA 85 -3.157 8.279 6.260 695 H ASP 86 HN ASP 86 -3.928 11.072 4.243 696 HA ASP 86 HA ASP 86 -6.594 10.508 4.788 697 HB2 ASP 86 HB2 ASP 86 -5.541 12.700 5.128 698 HB3 ASP 86 HB1 ASP 86 -5.467 12.916 3.387 699 H GLU 87 HN GLU 87 -4.959 11.010 1.623 700 HA GLU 87 HA GLU 87 -7.311 10.984 0.219 701 HB2 GLU 87 HB2 GLU 87 -5.450 12.062 -0.716 702 HB3 GLU 87 HB1 GLU 87 -4.418 10.655 -0.493 703 HG2 GLU 87 HG2 GLU 87 -5.418 9.504 -2.128 704 HG3 GLU 87 HG1 GLU 87 -6.827 10.582 -2.159 705 H VAL 88 HN VAL 88 -5.016 8.375 1.082 706 HA VAL 88 HA VAL 88 -6.280 6.386 -0.468 707 HB VAL 88 HB VAL 88 -4.806 6.022 2.170 708 HG11 VAL 88 HG11 VAL 88 -4.420 3.725 1.416 709 HG12 VAL 88 HG12 VAL 88 -5.376 4.038 -0.032 710 HG13 VAL 88 HG13 VAL 88 -6.142 4.071 1.555 711 HG21 VAL 88 HG21 VAL 88 -3.762 5.887 -0.656 712 HG22 VAL 88 HG22 VAL 88 -2.845 5.498 0.801 713 HG23 VAL 88 HG23 VAL 88 -3.407 7.147 0.527 714 H ALA 89 HN ALA 89 -6.745 7.522 2.818 715 HA ALA 89 HA ALA 89 -8.753 5.732 3.596 716 HB1 ALA 89 HB1 ALA 89 -8.333 8.567 4.528 717 HB2 ALA 89 HB2 ALA 89 -7.467 7.164 5.138 718 HB3 ALA 89 HB3 ALA 89 -9.206 7.298 5.391 719 H SER 90 HN SER 90 -8.883 8.789 1.900 720 HA SER 90 HA SER 90 -11.652 9.197 2.000 721 HB2 SER 90 HB2 SER 90 -9.969 10.947 1.444 722 HB3 SER 90 HB1 SER 90 -9.658 10.136 -0.085 723 HG SER 90 HG SER 90 -11.194 11.272 -0.826 724 H VAL 91 HN VAL 91 -9.597 7.479 -0.298 725 HA VAL 91 HA VAL 91 -11.726 6.892 -2.110 726 HB VAL 91 HB VAL 91 -9.059 5.479 -1.788 727 HG11 VAL 91 HG11 VAL 91 -10.656 4.127 -3.037 728 HG12 VAL 91 HG12 VAL 91 -9.390 4.731 -4.105 729 HG13 VAL 91 HG13 VAL 91 -10.985 5.483 -4.114 730 HG21 VAL 91 HG21 VAL 91 -9.847 7.736 -3.631 731 HG22 VAL 91 HG22 VAL 91 -8.299 6.893 -3.645 732 HG23 VAL 91 HG23 VAL 91 -8.767 7.855 -2.242 733 H TYR 92 HN TYR 92 -10.083 5.084 0.434 734 HA TYR 92 HA TYR 92 -11.471 2.664 0.023 735 HB2 TYR 92 HB2 TYR 92 -9.241 2.939 1.097 736 HB3 TYR 92 HB1 TYR 92 -10.056 3.563 2.520 737 HD1 TYR 92 HD2 TYR 92 -10.373 0.582 0.265 738 HD2 TYR 92 HD1 TYR 92 -10.243 2.057 4.251 739 HE1 TYR 92 HE2 TYR 92 -10.508 -1.727 1.115 740 HE2 TYR 92 HE1 TYR 92 -10.382 -0.242 5.109 741 HH TYR 92 HH TYR 92 -10.143 -2.996 2.952 742 H GLN 93 HN GLN 93 -12.381 5.521 1.795 743 HA GLN 93 HA GLN 93 -14.280 4.065 3.346 744 HB2 GLN 93 HB2 GLN 93 -15.233 6.257 4.021 745 HB3 GLN 93 HB1 GLN 93 -13.508 6.144 4.300 746 HG2 GLN 93 HG2 GLN 93 -13.147 7.402 2.199 747 HG3 GLN 93 HG1 GLN 93 -14.892 7.601 2.077 748 HE21 GLN 93 HE21 GLN 93 -15.294 7.951 4.933 749 HE22 GLN 93 HE22 GLN 93 -14.665 9.507 5.311 750 H SER 94 HN SER 94 -14.207 5.036 0.152 751 HA SER 94 HA SER 94 -17.099 5.061 -0.072 752 HB2 SER 94 HB2 SER 94 -15.696 6.759 -1.304 753 HB3 SER 94 HB1 SER 94 -14.997 5.440 -2.238 754 HG SER 94 HG SER 94 -16.733 6.460 -3.325 755 H TYR 95 HN TYR 95 -14.514 2.888 -0.083 756 HA TYR 95 HA TYR 95 -16.142 0.791 -1.297 757 HB2 TYR 95 HB2 TYR 95 -13.157 1.161 -1.732 758 HB3 TYR 95 HB1 TYR 95 -14.130 -0.191 -2.262 759 HD1 TYR 95 HD1 TYR 95 -15.727 0.071 -4.188 760 HD2 TYR 95 HD2 TYR 95 -13.131 3.235 -2.956 761 HE1 TYR 95 HE1 TYR 95 -16.114 1.219 -6.310 762 HE2 TYR 95 HE2 TYR 95 -13.523 4.378 -5.092 763 HH TYR 95 HH TYR 95 -15.982 3.615 -7.204 764 H GLN 96 HN GLN 96 -16.762 0.335 0.762 765 HA GLN 96 HA GLN 96 -16.734 -0.545 2.773 766 HB2 GLN 96 HB2 GLN 96 -14.865 -2.401 1.363 767 HB3 GLN 96 HB1 GLN 96 -15.337 -2.677 3.033 768 HG2 GLN 96 HG2 GLN 96 -17.233 -2.394 0.723 769 HG3 GLN 96 HG1 GLN 96 -16.748 -3.931 1.461 770 HE21 GLN 96 HE21 GLN 96 -18.729 -1.088 1.759 771 HE22 GLN 96 HE22 GLN 96 -19.560 -1.588 3.185 772 HA PRO 97 HA PRO 97 -13.463 1.977 4.600 773 HB2 PRO 97 HB2 PRO 97 -14.985 2.983 6.528 774 HB3 PRO 97 HB1 PRO 97 -15.288 3.471 4.855 775 HG2 PRO 97 HG2 PRO 97 -16.616 1.301 6.436 776 HG3 PRO 97 HG1 PRO 97 -17.435 2.624 5.620 777 HD2 PRO 97 HD2 PRO 97 -17.236 0.264 4.493 778 HD3 PRO 97 HD1 PRO 97 -16.986 1.695 3.477 779 H ARG 98 HN ARG 98 -14.938 -0.790 5.629 780 HA ARG 98 HA ARG 98 -13.640 -0.782 8.251 781 HB2 ARG 98 HB2 ARG 98 -15.659 -2.056 9.077 782 HB3 ARG 98 HB1 ARG 98 -15.894 -0.341 8.762 783 HG2 ARG 98 HG2 ARG 98 -17.048 -0.762 6.748 784 HG3 ARG 98 HG1 ARG 98 -16.619 -2.478 6.761 785 HD2 ARG 98 HD2 ARG 98 -18.413 -1.040 8.717 786 HD3 ARG 98 HD1 ARG 98 -18.939 -2.113 7.422 787 HE ARG 98 HE ARG 98 -17.225 -3.085 9.613 788 HH11 ARG 98 HH11 ARG 98 -20.209 -3.384 7.720 789 HH12 ARG 98 HH12 ARG 98 -20.691 -4.839 8.440 790 HH21 ARG 98 HH21 ARG 98 -17.915 -5.065 10.626 791 HH22 ARG 98 HH22 ARG 98 -19.366 -5.815 10.143 792 H THR 99 HN THR 99 -13.218 -2.844 9.107 793 HA THR 99 HA THR 99 -12.314 -4.824 7.350 794 HB THR 99 HB THR 99 -12.982 -5.031 10.292 795 HG1 THR 99 HG1 THR 99 -10.988 -3.575 8.923 796 HG21 THR 99 HG21 THR 99 -10.828 -6.342 8.634 797 HG22 THR 99 HG22 THR 99 -12.314 -7.123 9.171 798 HG23 THR 99 HG23 THR 99 -11.114 -6.601 10.356 799 H SER 100 HN SER 100 -13.474 -6.561 6.517 800 HA SER 100 HA SER 100 -15.854 -7.539 7.750 801 HB2 SER 100 HB2 SER 100 -16.027 -6.230 5.001 802 HB3 SER 100 HB1 SER 100 -17.310 -7.164 5.764 803 HG SER 100 HG SER 100 -16.469 -5.283 7.452 Start of MODEL 15 1 H1 GLY -1 HT1 GLY -1 -11.203 -8.493 5.052 2 H2 GLY -1 HT2 GLY -1 -10.032 -7.355 4.587 3 H3 GLY -1 HT3 GLY -1 -9.590 -8.960 4.891 4 HA2 GLY -1 HA1 GLY -1 -11.310 -8.047 2.689 5 HA3 GLY -1 HA2 GLY -1 -9.645 -8.601 2.561 6 H SER 0 HN SER 0 -12.935 -9.518 3.193 7 HA SER 0 HA SER 0 -12.218 -12.307 3.458 8 HB2 SER 0 HB2 SER 0 -14.915 -10.955 3.530 9 HB3 SER 0 HB1 SER 0 -14.573 -12.619 4.024 10 HG SER 0 HG SER 0 -12.987 -10.697 5.158 11 H MET 1 HN MET 1 -13.273 -10.103 1.123 12 HA MET 1 HA MET 1 -13.129 -12.047 -0.946 13 HB2 MET 1 HB2 MET 1 -15.547 -10.287 -0.635 14 HB3 MET 1 HB1 MET 1 -15.142 -11.231 -2.068 15 HG2 MET 1 HG2 MET 1 -15.303 -13.272 -0.617 16 HG3 MET 1 HG1 MET 1 -15.959 -12.242 0.641 17 HE1 MET 1 HE1 MET 1 -19.273 -10.910 -1.078 18 HE2 MET 1 HE2 MET 1 -17.684 -10.156 -1.174 19 HE3 MET 1 HE3 MET 1 -18.255 -10.827 0.355 20 HA PRO 2 HA PRO 2 -10.944 -8.040 -1.382 21 HB2 PRO 2 HB2 PRO 2 -9.148 -9.124 -3.226 22 HB3 PRO 2 HB1 PRO 2 -8.923 -9.002 -1.474 23 HG2 PRO 2 HG2 PRO 2 -9.844 -11.323 -3.095 24 HG3 PRO 2 HG1 PRO 2 -8.780 -11.298 -1.676 25 HD2 PRO 2 HD2 PRO 2 -11.372 -12.027 -1.467 26 HD3 PRO 2 HD1 PRO 2 -10.620 -11.114 -0.184 27 H PHE 3 HN PHE 3 -12.194 -6.809 -2.388 28 HA PHE 3 HA PHE 3 -12.226 -6.830 -5.297 29 HB2 PHE 3 HB2 PHE 3 -14.366 -7.849 -4.749 30 HB3 PHE 3 HB1 PHE 3 -14.717 -6.567 -3.597 31 HD1 PHE 3 HD1 PHE 3 -14.054 -7.118 -7.210 32 HD2 PHE 3 HD2 PHE 3 -15.878 -4.656 -4.266 33 HE1 PHE 3 HE1 PHE 3 -15.080 -5.765 -8.987 34 HE2 PHE 3 HE2 PHE 3 -16.911 -3.298 -6.033 35 HZ PHE 3 HZ PHE 3 -16.511 -3.853 -8.403 36 H ALA 4 HN ALA 4 -13.449 -5.119 -2.451 37 HA ALA 4 HA ALA 4 -13.183 -2.566 -3.643 38 HB1 ALA 4 HB1 ALA 4 -13.721 -1.713 -1.396 39 HB2 ALA 4 HB2 ALA 4 -13.423 -3.312 -0.716 40 HB3 ALA 4 HB3 ALA 4 -14.768 -3.056 -1.824 41 H GLU 5 HN GLU 5 -11.218 -4.607 -1.677 42 HA GLU 5 HA GLU 5 -9.117 -2.811 -1.104 43 HB2 GLU 5 HB2 GLU 5 -8.944 -5.832 -1.303 44 HB3 GLU 5 HB1 GLU 5 -7.918 -4.769 -0.357 45 HG2 GLU 5 HG2 GLU 5 -9.268 -5.631 1.294 46 HG3 GLU 5 HG1 GLU 5 -10.151 -4.183 0.876 47 H ASP 6 HN ASP 6 -9.889 -4.981 -3.687 48 HA ASP 6 HA ASP 6 -7.370 -4.831 -5.067 49 HB2 ASP 6 HB2 ASP 6 -8.807 -6.777 -5.385 50 HB3 ASP 6 HB1 ASP 6 -10.107 -5.750 -5.981 51 H LYS 7 HN LYS 7 -10.519 -3.336 -5.348 52 HA LYS 7 HA LYS 7 -10.066 -1.644 -7.515 53 HB2 LYS 7 HB2 LYS 7 -11.821 -1.322 -5.080 54 HB3 LYS 7 HB1 LYS 7 -11.835 -0.174 -6.400 55 HG2 LYS 7 HG2 LYS 7 -12.456 -3.114 -6.717 56 HG3 LYS 7 HG1 LYS 7 -13.679 -1.878 -6.429 57 HD2 LYS 7 HD2 LYS 7 -11.774 -1.863 -8.784 58 HD3 LYS 7 HD1 LYS 7 -13.404 -2.528 -8.824 59 HE2 LYS 7 HE2 LYS 7 -14.373 -0.394 -8.357 60 HE3 LYS 7 HE1 LYS 7 -12.806 0.335 -8.063 61 HZ1 LYS 7 HZ1 LYS 7 -13.746 -0.717 -10.675 62 HZ2 LYS 7 HZ2 LYS 7 -12.256 0.046 -10.365 63 HZ3 LYS 7 HZ3 LYS 7 -13.677 0.902 -10.212 64 H THR 8 HN THR 8 -9.306 -1.306 -4.110 65 HA THR 8 HA THR 8 -8.416 1.341 -4.140 66 HB THR 8 HB THR 8 -7.449 -0.933 -2.363 67 HG1 THR 8 HG1 THR 8 -9.805 -0.479 -2.319 68 HG21 THR 8 HG21 THR 8 -6.879 0.836 -0.755 69 HG22 THR 8 HG22 THR 8 -7.404 2.062 -1.906 70 HG23 THR 8 HG23 THR 8 -5.993 1.067 -2.264 71 H TYR 9 HN TYR 9 -6.637 -1.709 -4.591 72 HA TYR 9 HA TYR 9 -4.071 -0.708 -4.994 73 HB2 TYR 9 HB2 TYR 9 -4.362 -3.090 -4.755 74 HB3 TYR 9 HB1 TYR 9 -5.421 -3.160 -6.156 75 HD1 TYR 9 HD2 TYR 9 -1.883 -2.642 -5.110 76 HD2 TYR 9 HD1 TYR 9 -4.527 -3.490 -8.335 77 HE1 TYR 9 HE2 TYR 9 0.047 -3.195 -6.558 78 HE2 TYR 9 HE1 TYR 9 -2.614 -4.038 -9.772 79 HH TYR 9 HH TYR 9 0.572 -4.439 -8.572 80 H LYS 10 HN LYS 10 -6.547 -1.421 -7.410 81 HA LYS 10 HA LYS 10 -5.128 -0.543 -9.662 82 HB2 LYS 10 HB2 LYS 10 -8.066 -0.817 -9.127 83 HB3 LYS 10 HB1 LYS 10 -7.437 -0.326 -10.693 84 HG2 LYS 10 HG2 LYS 10 -6.262 -2.421 -10.905 85 HG3 LYS 10 HG1 LYS 10 -6.781 -2.909 -9.289 86 HD2 LYS 10 HD2 LYS 10 -9.080 -2.964 -9.984 87 HD3 LYS 10 HD1 LYS 10 -8.665 -2.261 -11.548 88 HE2 LYS 10 HE2 LYS 10 -9.077 -4.698 -11.665 89 HE3 LYS 10 HE1 LYS 10 -7.453 -4.255 -12.174 90 HZ1 LYS 10 HZ1 LYS 10 -7.502 -6.215 -10.744 91 HZ2 LYS 10 HZ2 LYS 10 -8.163 -5.326 -9.482 92 HZ3 LYS 10 HZ3 LYS 10 -6.604 -4.981 -10.054 93 H TYR 11 HN TYR 11 -7.117 1.203 -7.390 94 HA TYR 11 HA TYR 11 -7.456 3.579 -8.909 95 HB2 TYR 11 HB2 TYR 11 -8.609 2.663 -6.674 96 HB3 TYR 11 HB1 TYR 11 -7.338 3.604 -5.951 97 HD1 TYR 11 HD2 TYR 11 -7.255 6.055 -6.158 98 HD2 TYR 11 HD1 TYR 11 -10.432 3.777 -7.815 99 HE1 TYR 11 HE2 TYR 11 -8.612 8.098 -6.365 100 HE2 TYR 11 HE1 TYR 11 -11.786 5.798 -8.024 101 HH TYR 11 HH TYR 11 -11.917 7.960 -6.938 102 H ILE 12 HN ILE 12 -5.291 2.651 -6.283 103 HA ILE 12 HA ILE 12 -3.858 5.108 -6.157 104 HB ILE 12 HB ILE 12 -3.066 2.341 -5.173 105 HG12 ILE 12 HG12 ILE 12 -5.196 3.149 -4.243 106 HG13 ILE 12 HG11 ILE 12 -3.951 3.028 -2.999 107 HG21 ILE 12 HG21 ILE 12 -1.119 3.812 -5.302 108 HG22 ILE 12 HG22 ILE 12 -1.556 3.481 -3.625 109 HG23 ILE 12 HG23 ILE 12 -1.973 5.034 -4.354 110 HD11 ILE 12 HD11 ILE 12 -4.957 5.541 -4.338 111 HD12 ILE 12 HD12 ILE 12 -3.639 5.481 -3.172 112 HD13 ILE 12 HD13 ILE 12 -5.269 5.023 -2.680 113 H CYS 13 HN CYS 13 -3.541 2.405 -8.249 114 HA CYS 13 HA CYS 13 -0.895 2.752 -9.073 115 HB2 CYS 13 HB2 CYS 13 -3.276 1.830 -10.666 116 HB3 CYS 13 HB1 CYS 13 -1.609 1.715 -11.212 117 HG CYS 13 HG CYS 13 -2.766 0.204 -8.377 118 H ARG 14 HN ARG 14 -3.741 4.704 -9.829 119 HA ARG 14 HA ARG 14 -2.375 5.938 -12.044 120 HB2 ARG 14 HB2 ARG 14 -4.386 7.031 -12.524 121 HB3 ARG 14 HB1 ARG 14 -4.814 5.401 -12.073 122 HG2 ARG 14 HG2 ARG 14 -5.439 6.252 -9.823 123 HG3 ARG 14 HG1 ARG 14 -5.123 7.891 -10.406 124 HD2 ARG 14 HD2 ARG 14 -7.144 5.940 -11.481 125 HD3 ARG 14 HD1 ARG 14 -7.489 7.412 -10.579 126 HE ARG 14 HE ARG 14 -6.261 8.492 -12.583 127 HH11 ARG 14 HH11 ARG 14 -8.545 5.798 -12.736 128 HH12 ARG 14 HH12 ARG 14 -9.017 6.103 -14.341 129 HH21 ARG 14 HH21 ARG 14 -6.901 8.916 -14.763 130 HH22 ARG 14 HH22 ARG 14 -8.041 7.910 -15.535 131 H ASN 15 HN ASN 15 -2.206 6.284 -8.805 132 HA ASN 15 HA ASN 15 -1.255 9.027 -9.102 133 HB2 ASN 15 HB2 ASN 15 -2.195 9.654 -6.887 134 HB3 ASN 15 HB1 ASN 15 -3.453 9.128 -8.013 135 HD21 ASN 15 HD21 ASN 15 -4.635 7.418 -7.626 136 HD22 ASN 15 HD22 ASN 15 -4.564 6.564 -6.125 137 H PHE 16 HN PHE 16 -0.304 6.307 -9.016 138 HA PHE 16 HA PHE 16 1.213 5.583 -6.805 139 HB2 PHE 16 HB2 PHE 16 0.898 4.064 -8.637 140 HB3 PHE 16 HB1 PHE 16 1.682 5.159 -9.761 141 HD1 PHE 16 HD1 PHE 16 2.327 3.080 -6.745 142 HD2 PHE 16 HD2 PHE 16 3.938 4.919 -10.225 143 HE1 PHE 16 HE1 PHE 16 4.470 1.916 -6.379 144 HE2 PHE 16 HE2 PHE 16 6.070 3.758 -9.858 145 HZ PHE 16 HZ PHE 16 6.332 2.259 -7.938 146 H SER 17 HN SER 17 1.935 7.877 -9.344 147 HA SER 17 HA SER 17 4.633 8.327 -8.755 148 HB2 SER 17 HB2 SER 17 4.162 10.512 -9.993 149 HB3 SER 17 HB1 SER 17 3.800 9.020 -10.864 150 HG SER 17 HG SER 17 2.202 10.971 -10.483 151 H ASN 18 HN ASN 18 1.671 9.672 -7.465 152 HA ASN 18 HA ASN 18 2.833 11.801 -5.957 153 HB2 ASN 18 HB2 ASN 18 0.225 10.331 -5.472 154 HB3 ASN 18 HB1 ASN 18 0.649 11.857 -4.729 155 HD21 ASN 18 HD21 ASN 18 -1.643 11.309 -6.241 156 HD22 ASN 18 HD22 ASN 18 -1.614 12.278 -7.669 157 H PHE 19 HN PHE 19 2.169 8.447 -5.402 158 HA PHE 19 HA PHE 19 2.856 8.561 -2.640 159 HB2 PHE 19 HB2 PHE 19 2.082 6.337 -4.470 160 HB3 PHE 19 HB1 PHE 19 2.878 5.965 -2.943 161 HD1 PHE 19 HD2 PHE 19 -0.006 7.861 -4.332 162 HD2 PHE 19 HD1 PHE 19 1.669 5.805 -1.014 163 HE1 PHE 19 HE2 PHE 19 -2.131 8.086 -3.118 164 HE2 PHE 19 HE1 PHE 19 -0.451 6.039 0.205 165 HZ PHE 19 HZ PHE 19 -2.354 7.181 -0.856 166 H CYS 20 HN CYS 20 4.784 8.571 -5.392 167 HA CYS 20 HA CYS 20 6.892 6.962 -4.363 168 HB2 CYS 20 HB2 CYS 20 6.883 9.068 -6.529 169 HB3 CYS 20 HB1 CYS 20 8.221 7.974 -6.184 170 HG CYS 20 HG CYS 20 5.171 6.661 -6.873 171 H ASN 21 HN ASN 21 5.699 9.826 -3.360 172 HA ASN 21 HA ASN 21 8.137 11.125 -2.533 173 HB2 ASN 21 HB2 ASN 21 6.047 12.387 -3.035 174 HB3 ASN 21 HB1 ASN 21 5.263 11.592 -1.679 175 HD21 ASN 21 HD21 ASN 21 7.536 13.981 -2.665 176 HD22 ASN 21 HD22 ASN 21 7.719 14.765 -1.149 177 H VAL 22 HN VAL 22 6.124 8.585 -1.402 178 HA VAL 22 HA VAL 22 6.602 8.972 1.407 179 HB VAL 22 HB VAL 22 4.578 7.641 0.209 180 HG11 VAL 22 HG11 VAL 22 4.787 5.318 0.169 181 HG12 VAL 22 HG12 VAL 22 6.528 5.456 0.463 182 HG13 VAL 22 HG13 VAL 22 5.815 6.133 -1.009 183 HG21 VAL 22 HG21 VAL 22 5.884 6.721 2.765 184 HG22 VAL 22 HG22 VAL 22 4.267 6.282 2.227 185 HG23 VAL 22 HG23 VAL 22 4.629 7.957 2.596 186 H ASP 23 HN ASP 23 7.811 7.468 2.702 187 HA ASP 23 HA ASP 23 10.069 6.312 1.268 188 HB2 ASP 23 HB2 ASP 23 10.365 7.783 3.447 189 HB3 ASP 23 HB1 ASP 23 9.752 6.358 4.255 190 H VAL 24 HN VAL 24 10.193 4.177 1.087 191 HA VAL 24 HA VAL 24 7.737 2.783 1.567 192 HB VAL 24 HB VAL 24 10.265 1.840 0.167 193 HG11 VAL 24 HG11 VAL 24 8.682 -0.011 0.861 194 HG12 VAL 24 HG12 VAL 24 8.865 0.223 -0.896 195 HG13 VAL 24 HG13 VAL 24 7.448 0.855 -0.092 196 HG21 VAL 24 HG21 VAL 24 7.717 2.880 -0.964 197 HG22 VAL 24 HG22 VAL 24 9.188 2.479 -1.868 198 HG23 VAL 24 HG23 VAL 24 9.158 3.866 -0.757 199 H VAL 25 HN VAL 25 10.912 2.781 3.006 200 HA VAL 25 HA VAL 25 10.514 0.202 4.261 201 HB VAL 25 HB VAL 25 12.550 0.610 5.527 202 HG11 VAL 25 HG11 VAL 25 14.117 0.652 3.604 203 HG12 VAL 25 HG12 VAL 25 12.790 1.204 2.580 204 HG13 VAL 25 HG13 VAL 25 12.719 -0.387 3.328 205 HG21 VAL 25 HG21 VAL 25 12.396 3.003 5.824 206 HG22 VAL 25 HG22 VAL 25 12.663 3.257 4.101 207 HG23 VAL 25 HG23 VAL 25 13.945 2.579 5.103 208 H GLU 26 HN GLU 26 9.956 3.445 5.031 209 HA GLU 26 HA GLU 26 9.672 3.262 7.829 210 HB2 GLU 26 HB2 GLU 26 8.786 5.197 5.731 211 HB3 GLU 26 HB1 GLU 26 8.648 5.529 7.429 212 HG2 GLU 26 HG2 GLU 26 11.228 4.998 5.958 213 HG3 GLU 26 HG1 GLU 26 10.610 6.584 6.388 214 H ILE 27 HN ILE 27 7.800 2.197 5.302 215 HA ILE 27 HA ILE 27 5.100 2.340 6.557 216 HB ILE 27 HB ILE 27 6.202 1.388 3.903 217 HG12 ILE 27 HG12 ILE 27 4.366 3.697 4.538 218 HG13 ILE 27 HG11 ILE 27 6.075 3.809 4.131 219 HG21 ILE 27 HG21 ILE 27 3.920 0.990 3.121 220 HG22 ILE 27 HG22 ILE 27 3.323 1.235 4.758 221 HG23 ILE 27 HG23 ILE 27 4.413 -0.104 4.408 222 HD11 ILE 27 HD11 ILE 27 4.694 4.373 2.232 223 HD12 ILE 27 HD12 ILE 27 3.876 2.820 2.336 224 HD13 ILE 27 HD13 ILE 27 5.593 2.888 1.919 225 H LEU 28 HN LEU 28 7.612 0.066 5.757 226 HA LEU 28 HA LEU 28 6.281 -2.312 5.845 227 HB2 LEU 28 HB2 LEU 28 9.075 -1.818 6.840 228 HB3 LEU 28 HB1 LEU 28 8.429 -3.364 6.336 229 HG LEU 28 HG LEU 28 8.835 -0.956 4.566 230 HD11 LEU 28 HD11 LEU 28 10.331 -3.556 4.721 231 HD12 LEU 28 HD12 LEU 28 10.928 -1.967 5.209 232 HD13 LEU 28 HD13 LEU 28 10.576 -2.299 3.512 233 HD21 LEU 28 HD21 LEU 28 7.910 -3.741 3.874 234 HD22 LEU 28 HD22 LEU 28 8.306 -2.472 2.717 235 HD23 LEU 28 HD23 LEU 28 6.937 -2.270 3.806 236 HA PRO 29 HA PRO 29 6.882 -2.959 10.630 237 HB2 PRO 29 HB2 PRO 29 7.242 -0.795 12.214 238 HB3 PRO 29 HB1 PRO 29 8.597 -1.674 11.492 239 HG2 PRO 29 HG2 PRO 29 7.259 0.837 10.533 240 HG3 PRO 29 HG1 PRO 29 8.991 0.509 10.718 241 HD2 PRO 29 HD2 PRO 29 7.791 0.334 8.329 242 HD3 PRO 29 HD1 PRO 29 9.075 -0.800 8.804 243 H TYR 30 HN TYR 30 5.081 -0.607 9.058 244 HA TYR 30 HA TYR 30 3.139 -0.279 11.170 245 HB2 TYR 30 HB2 TYR 30 3.859 1.099 8.705 246 HB3 TYR 30 HB1 TYR 30 2.193 1.321 9.094 247 HD1 TYR 30 HD1 TYR 30 1.765 2.081 11.600 248 HD2 TYR 30 HD2 TYR 30 5.501 2.378 9.601 249 HE1 TYR 30 HE1 TYR 30 2.500 3.751 13.241 250 HE2 TYR 30 HE2 TYR 30 6.241 4.037 11.230 251 HH TYR 30 HH TYR 30 4.790 4.457 14.110 252 H LEU 31 HN LEU 31 3.689 -2.380 8.679 253 HA LEU 31 HA LEU 31 0.850 -3.051 8.554 254 HB2 LEU 31 HB2 LEU 31 3.067 -3.551 6.569 255 HB3 LEU 31 HB1 LEU 31 1.536 -4.383 6.494 256 HG LEU 31 HG LEU 31 0.388 -2.188 6.071 257 HD11 LEU 31 HD11 LEU 31 1.640 -0.242 5.527 258 HD12 LEU 31 HD12 LEU 31 3.135 -1.046 6.014 259 HD13 LEU 31 HD13 LEU 31 1.879 -0.713 7.208 260 HD21 LEU 31 HD21 LEU 31 1.237 -1.863 3.836 261 HD22 LEU 31 HD22 LEU 31 1.116 -3.583 4.219 262 HD23 LEU 31 HD23 LEU 31 2.690 -2.770 4.258 263 HA PRO 32 HA PRO 32 2.788 -6.449 10.942 264 HB2 PRO 32 HB2 PRO 32 0.437 -6.475 12.608 265 HB3 PRO 32 HB1 PRO 32 2.071 -5.972 13.047 266 HG2 PRO 32 HG2 PRO 32 -0.066 -4.253 12.877 267 HG3 PRO 32 HG1 PRO 32 1.620 -3.758 12.654 268 HD2 PRO 32 HD2 PRO 32 -0.465 -4.374 10.591 269 HD3 PRO 32 HD1 PRO 32 0.732 -3.054 10.633 270 H CYS 33 HN CYS 33 0.154 -6.194 8.971 271 HA CYS 33 HA CYS 33 -0.961 -8.792 9.490 272 HB2 CYS 33 HB2 CYS 33 -2.325 -8.255 7.441 273 HB3 CYS 33 HB1 CYS 33 -2.493 -7.118 8.778 274 HG CYS 33 HG CYS 33 -2.324 -6.164 5.977 275 H LEU 34 HN LEU 34 1.556 -7.453 7.599 276 HA LEU 34 HA LEU 34 1.660 -9.858 5.965 277 HB2 LEU 34 HB2 LEU 34 3.203 -7.290 5.721 278 HB3 LEU 34 HB1 LEU 34 3.527 -8.718 4.764 279 HG LEU 34 HG LEU 34 0.913 -8.408 4.262 280 HD11 LEU 34 HD11 LEU 34 0.409 -6.084 3.847 281 HD12 LEU 34 HD12 LEU 34 1.914 -5.623 4.646 282 HD13 LEU 34 HD13 LEU 34 0.642 -6.434 5.561 283 HD21 LEU 34 HD21 LEU 34 3.173 -7.048 2.829 284 HD22 LEU 34 HD22 LEU 34 1.578 -7.424 2.150 285 HD23 LEU 34 HD23 LEU 34 2.655 -8.727 2.669 286 H THR 35 HN THR 35 3.473 -11.166 5.922 287 HA THR 35 HA THR 35 4.643 -11.584 8.383 288 HB THR 35 HB THR 35 6.004 -12.945 6.354 289 HG1 THR 35 HG1 THR 35 4.678 -12.913 4.740 290 HG21 THR 35 HG21 THR 35 3.559 -13.732 7.964 291 HG22 THR 35 HG22 THR 35 5.230 -13.893 8.504 292 HG23 THR 35 HG23 THR 35 4.643 -14.859 7.147 293 H ALA 36 HN ALA 36 6.883 -11.561 8.878 294 HA ALA 36 HA ALA 36 8.085 -9.120 8.558 295 HB1 ALA 36 HB1 ALA 36 10.002 -10.046 9.684 296 HB2 ALA 36 HB2 ALA 36 9.429 -11.683 9.358 297 HB3 ALA 36 HB3 ALA 36 8.507 -10.622 10.421 298 H ARG 37 HN ARG 37 9.216 -12.150 6.973 299 HA ARG 37 HA ARG 37 11.229 -10.741 5.583 300 HB2 ARG 37 HB2 ARG 37 11.494 -13.125 5.970 301 HB3 ARG 37 HB1 ARG 37 10.116 -13.499 4.964 302 HG2 ARG 37 HG2 ARG 37 12.206 -13.973 3.805 303 HG3 ARG 37 HG1 ARG 37 11.312 -12.691 2.987 304 HD2 ARG 37 HD2 ARG 37 12.767 -11.024 4.052 305 HD3 ARG 37 HD1 ARG 37 13.658 -12.311 4.862 306 HE ARG 37 HE ARG 37 13.713 -12.882 2.164 307 HH11 ARG 37 HH11 ARG 37 14.901 -10.193 4.220 308 HH12 ARG 37 HH12 ARG 37 16.225 -9.909 3.230 309 HH21 ARG 37 HH21 ARG 37 15.592 -12.391 0.840 310 HH22 ARG 37 HH22 ARG 37 16.650 -11.142 1.301 311 H ASP 38 HN ASP 38 7.938 -11.388 4.800 312 HA ASP 38 HA ASP 38 7.863 -10.715 2.061 313 HB2 ASP 38 HB2 ASP 38 5.839 -10.314 4.261 314 HB3 ASP 38 HB1 ASP 38 5.516 -9.702 2.643 315 H GLN 39 HN GLN 39 7.871 -8.714 4.914 316 HA GLN 39 HA GLN 39 7.735 -6.254 3.435 317 HB2 GLN 39 HB2 GLN 39 8.178 -6.807 6.355 318 HB3 GLN 39 HB1 GLN 39 8.010 -5.201 5.657 319 HG2 GLN 39 HG2 GLN 39 5.927 -7.376 5.597 320 HG3 GLN 39 HG1 GLN 39 5.946 -5.951 6.642 321 HE21 GLN 39 HE21 GLN 39 5.512 -7.091 3.390 322 HE22 GLN 39 HE22 GLN 39 4.752 -5.641 2.809 323 H ASP 40 HN ASP 40 10.126 -8.071 5.235 324 HA ASP 40 HA ASP 40 12.243 -6.230 5.236 325 HB2 ASP 40 HB2 ASP 40 12.048 -8.325 6.587 326 HB3 ASP 40 HB1 ASP 40 12.474 -9.213 5.141 327 H ARG 41 HN ARG 41 11.300 -8.610 2.888 328 HA ARG 41 HA ARG 41 13.508 -8.462 1.149 329 HB2 ARG 41 HB2 ARG 41 11.803 -10.206 0.964 330 HB3 ARG 41 HB1 ARG 41 10.600 -9.003 0.515 331 HG2 ARG 41 HG2 ARG 41 11.933 -8.470 -1.467 332 HG3 ARG 41 HG1 ARG 41 13.041 -9.778 -1.049 333 HD2 ARG 41 HD2 ARG 41 11.205 -11.379 -1.216 334 HD3 ARG 41 HD1 ARG 41 10.099 -10.069 -1.633 335 HE ARG 41 HE ARG 41 12.447 -10.416 -3.289 336 HH11 ARG 41 HH11 ARG 41 8.948 -10.807 -2.934 337 HH12 ARG 41 HH12 ARG 41 8.668 -11.118 -4.584 338 HH21 ARG 41 HH21 ARG 41 12.061 -10.863 -5.573 339 HH22 ARG 41 HH22 ARG 41 10.481 -11.169 -6.116 340 H LEU 42 HN LEU 42 10.645 -6.477 1.494 341 HA LEU 42 HA LEU 42 11.009 -4.935 -0.836 342 HB2 LEU 42 HB2 LEU 42 9.512 -4.386 1.723 343 HB3 LEU 42 HB1 LEU 42 9.453 -3.334 0.325 344 HG LEU 42 HG LEU 42 8.592 -6.228 0.217 345 HD11 LEU 42 HD11 LEU 42 6.912 -3.763 0.625 346 HD12 LEU 42 HD12 LEU 42 7.210 -5.004 1.840 347 HD13 LEU 42 HD13 LEU 42 6.307 -5.398 0.377 348 HD21 LEU 42 HD21 LEU 42 7.486 -5.550 -1.802 349 HD22 LEU 42 HD22 LEU 42 9.186 -5.089 -1.919 350 HD23 LEU 42 HD23 LEU 42 7.948 -3.879 -1.551 351 H ARG 43 HN ARG 43 12.030 -4.607 2.513 352 HA ARG 43 HA ARG 43 13.206 -2.064 2.256 353 HB2 ARG 43 HB2 ARG 43 12.852 -3.057 4.468 354 HB3 ARG 43 HB1 ARG 43 14.022 -4.322 4.105 355 HG2 ARG 43 HG2 ARG 43 15.792 -2.669 3.963 356 HG3 ARG 43 HG1 ARG 43 14.638 -1.380 4.289 357 HD2 ARG 43 HD2 ARG 43 15.916 -1.993 6.291 358 HD3 ARG 43 HD1 ARG 43 14.193 -2.315 6.481 359 HE ARG 43 HE ARG 43 14.622 -4.613 6.187 360 HH11 ARG 43 HH11 ARG 43 17.619 -2.711 6.554 361 HH12 ARG 43 HH12 ARG 43 18.493 -4.011 7.234 362 HH21 ARG 43 HH21 ARG 43 15.860 -6.372 7.037 363 HH22 ARG 43 HH22 ARG 43 17.491 -6.149 7.502 364 H ALA 44 HN ALA 44 14.521 -5.280 1.699 365 HA ALA 44 HA ALA 44 17.142 -4.536 1.049 366 HB1 ALA 44 HB1 ALA 44 15.517 -6.825 -0.079 367 HB2 ALA 44 HB2 ALA 44 16.466 -6.882 1.404 368 HB3 ALA 44 HB3 ALA 44 17.271 -6.675 -0.149 369 H THR 45 HN THR 45 14.246 -4.822 -0.917 370 HA THR 45 HA THR 45 15.470 -4.208 -3.372 371 HB THR 45 HB THR 45 12.556 -3.806 -2.618 372 HG1 THR 45 HG1 THR 45 13.280 -5.962 -2.176 373 HG21 THR 45 HG21 THR 45 13.192 -2.800 -4.804 374 HG22 THR 45 HG22 THR 45 12.155 -4.206 -5.037 375 HG23 THR 45 HG23 THR 45 13.894 -4.336 -5.291 376 H CYS 46 HN CYS 46 14.183 -2.069 -0.767 377 HA CYS 46 HA CYS 46 13.978 0.256 -2.206 378 HB2 CYS 46 HB2 CYS 46 14.641 -0.187 0.705 379 HB3 CYS 46 HB1 CYS 46 14.123 1.298 -0.078 380 HG CYS 46 HG CYS 46 12.226 -1.501 0.135 381 H THR 47 HN THR 47 16.779 -1.353 -0.774 382 HA THR 47 HA THR 47 18.378 0.998 -1.386 383 HB THR 47 HB THR 47 18.631 -0.011 0.880 384 HG1 THR 47 HG1 THR 47 21.071 -0.467 0.514 385 HG21 THR 47 HG21 THR 47 19.842 -2.143 1.160 386 HG22 THR 47 HG22 THR 47 19.818 -2.372 -0.588 387 HG23 THR 47 HG23 THR 47 18.307 -2.372 0.320 388 H LEU 48 HN LEU 48 17.320 -1.557 -3.012 389 HA LEU 48 HA LEU 48 19.792 -1.947 -4.558 390 HB2 LEU 48 HB2 LEU 48 17.176 -3.458 -4.624 391 HB3 LEU 48 HB1 LEU 48 18.509 -3.780 -5.699 392 HG LEU 48 HG LEU 48 18.525 -4.164 -2.702 393 HD11 LEU 48 HD11 LEU 48 18.605 -6.543 -3.245 394 HD12 LEU 48 HD12 LEU 48 18.460 -6.163 -4.957 395 HD13 LEU 48 HD13 LEU 48 17.132 -5.792 -3.854 396 HD21 LEU 48 HD21 LEU 48 20.616 -4.816 -4.776 397 HD22 LEU 48 HD22 LEU 48 20.683 -5.269 -3.074 398 HD23 LEU 48 HD23 LEU 48 20.738 -3.569 -3.536 399 H SER 49 HN SER 49 16.339 -1.432 -5.062 400 HA SER 49 HA SER 49 16.820 -0.470 -7.746 401 HB2 SER 49 HB2 SER 49 14.300 -1.105 -6.209 402 HB3 SER 49 HB1 SER 49 14.316 -0.627 -7.897 403 HG SER 49 HG SER 49 14.861 -3.062 -6.776 404 H GLY 50 HN GLY 50 15.175 0.702 -4.753 405 HA2 GLY 50 HA2 GLY 50 15.831 3.124 -4.361 406 HA3 GLY 50 HA1 GLY 50 14.951 3.357 -5.883 407 H ASN 51 HN ASN 51 13.477 4.595 -4.236 408 HA ASN 51 HA ASN 51 11.923 2.738 -2.727 409 HB2 ASN 51 HB2 ASN 51 10.697 4.525 -1.860 410 HB3 ASN 51 HB1 ASN 51 12.388 5.034 -1.839 411 HD21 ASN 51 HD21 ASN 51 9.738 6.438 -1.732 412 HD22 ASN 51 HD22 ASN 51 9.838 7.605 -2.987 413 H ARG 52 HN ARG 52 11.417 4.790 -5.430 414 HA ARG 52 HA ARG 52 8.753 4.469 -6.043 415 HB2 ARG 52 HB2 ARG 52 10.160 5.925 -7.373 416 HB3 ARG 52 HB1 ARG 52 10.980 4.539 -8.077 417 HG2 ARG 52 HG2 ARG 52 8.843 3.843 -9.097 418 HG3 ARG 52 HG1 ARG 52 8.094 5.300 -8.445 419 HD2 ARG 52 HD2 ARG 52 10.427 5.239 -10.353 420 HD3 ARG 52 HD1 ARG 52 8.752 5.541 -10.803 421 HE ARG 52 HE ARG 52 9.300 7.404 -8.894 422 HH11 ARG 52 HH11 ARG 52 10.676 6.565 -12.032 423 HH12 ARG 52 HH12 ARG 52 11.282 8.125 -12.349 424 HH21 ARG 52 HH21 ARG 52 10.076 9.568 -9.363 425 HH22 ARG 52 HH22 ARG 52 10.940 9.863 -10.794 426 H ASP 53 HN ASP 53 11.252 2.274 -7.455 427 HA ASP 53 HA ASP 53 9.443 0.567 -8.690 428 HB2 ASP 53 HB2 ASP 53 12.261 0.198 -7.714 429 HB3 ASP 53 HB1 ASP 53 11.377 -1.066 -8.543 430 H THR 54 HN THR 54 10.919 0.547 -5.541 431 HA THR 54 HA THR 54 10.010 -1.983 -4.754 432 HB THR 54 HB THR 54 10.872 0.357 -3.076 433 HG1 THR 54 HG1 THR 54 12.735 -0.002 -3.913 434 HG21 THR 54 HG21 THR 54 9.836 -1.473 -1.817 435 HG22 THR 54 HG22 THR 54 11.569 -1.349 -1.515 436 HG23 THR 54 HG23 THR 54 10.942 -2.622 -2.582 437 H LEU 55 HN LEU 55 8.569 1.261 -4.648 438 HA LEU 55 HA LEU 55 6.626 0.804 -2.746 439 HB2 LEU 55 HB2 LEU 55 7.462 2.972 -3.631 440 HB3 LEU 55 HB1 LEU 55 6.705 2.592 -5.158 441 HG LEU 55 HG LEU 55 4.636 2.364 -3.898 442 HD11 LEU 55 HD11 LEU 55 6.147 3.974 -1.829 443 HD12 LEU 55 HD12 LEU 55 5.414 2.388 -1.584 444 HD13 LEU 55 HD13 LEU 55 4.410 3.818 -1.836 445 HD21 LEU 55 HD21 LEU 55 5.006 4.133 -5.438 446 HD22 LEU 55 HD22 LEU 55 5.900 5.053 -4.222 447 HD23 LEU 55 HD23 LEU 55 4.164 4.798 -4.037 448 H TRP 56 HN TRP 56 6.873 0.280 -6.244 449 HA TRP 56 HA TRP 56 4.178 -0.564 -6.583 450 HB2 TRP 56 HB2 TRP 56 5.660 0.148 -8.496 451 HB3 TRP 56 HB1 TRP 56 6.565 -1.349 -8.298 452 HD1 TRP 56 HD1 TRP 56 5.294 -3.645 -8.994 453 HE1 TRP 56 HE1 TRP 56 3.311 -4.088 -10.564 454 HE3 TRP 56 HE3 TRP 56 3.502 1.130 -9.400 455 HZ2 TRP 56 HZ2 TRP 56 1.271 -2.607 -11.835 456 HZ3 TRP 56 HZ3 TRP 56 1.528 1.528 -10.815 457 HH2 TRP 56 HH2 TRP 56 0.438 -0.301 -12.007 458 H HIS 57 HN HIS 57 7.229 -2.237 -6.042 459 HA HIS 57 HA HIS 57 6.273 -4.879 -5.971 460 HB2 HIS 57 HB2 HIS 57 8.618 -3.591 -4.570 461 HB3 HIS 57 HB1 HIS 57 8.250 -5.293 -4.370 462 HD1 HIS 57 HD1 HIS 57 10.013 -6.494 -5.666 463 HD2 HIS 57 HD2 HIS 57 8.528 -3.215 -7.737 464 HE1 HIS 57 HE1 HIS 57 11.129 -6.528 -7.902 465 H LEU 58 HN LEU 58 6.418 -2.431 -3.503 466 HA LEU 58 HA LEU 58 5.526 -3.793 -1.255 467 HB2 LEU 58 HB2 LEU 58 6.371 -1.556 -1.192 468 HB3 LEU 58 HB1 LEU 58 5.113 -0.989 -2.233 469 HG LEU 58 HG LEU 58 3.490 -1.538 -0.325 470 HD11 LEU 58 HD11 LEU 58 4.429 -1.600 1.923 471 HD12 LEU 58 HD12 LEU 58 6.051 -1.693 1.238 472 HD13 LEU 58 HD13 LEU 58 4.899 -3.000 0.963 473 HD21 LEU 58 HD21 LEU 58 5.562 0.635 0.017 474 HD22 LEU 58 HD22 LEU 58 4.054 0.536 0.905 475 HD23 LEU 58 HD23 LEU 58 4.028 0.734 -0.847 476 H PHE 59 HN PHE 59 3.577 -1.816 -3.471 477 HA PHE 59 HA PHE 59 1.070 -2.662 -2.559 478 HB2 PHE 59 HB2 PHE 59 1.838 -1.684 -5.320 479 HB3 PHE 59 HB1 PHE 59 0.182 -2.006 -4.837 480 HD1 PHE 59 HD2 PHE 59 -0.551 -0.792 -2.608 481 HD2 PHE 59 HD1 PHE 59 2.618 0.479 -5.144 482 HE1 PHE 59 HE2 PHE 59 -0.745 1.490 -1.714 483 HE2 PHE 59 HE1 PHE 59 2.420 2.767 -4.246 484 HZ PHE 59 HZ PHE 59 0.741 3.266 -2.535 485 H ASN 60 HN ASN 60 3.128 -4.101 -4.991 486 HA ASN 60 HA ASN 60 1.412 -6.119 -5.934 487 HB2 ASN 60 HB2 ASN 60 3.509 -5.504 -7.057 488 HB3 ASN 60 HB1 ASN 60 4.424 -6.122 -5.692 489 HD21 ASN 60 HD21 ASN 60 1.581 -7.685 -7.184 490 HD22 ASN 60 HD22 ASN 60 2.477 -9.041 -7.742 491 H THR 61 HN THR 61 3.651 -6.065 -3.212 492 HA THR 61 HA THR 61 3.261 -8.799 -2.491 493 HB THR 61 HB THR 61 4.352 -6.496 -0.831 494 HG1 THR 61 HG1 THR 61 5.584 -6.774 -2.692 495 HG21 THR 61 HG21 THR 61 4.743 -9.488 -0.531 496 HG22 THR 61 HG22 THR 61 3.743 -8.482 0.514 497 HG23 THR 61 HG23 THR 61 5.490 -8.244 0.473 498 H LEU 62 HN LEU 62 1.927 -5.706 -1.433 499 HA LEU 62 HA LEU 62 0.383 -6.535 0.711 500 HB2 LEU 62 HB2 LEU 62 0.460 -4.190 -1.088 501 HB3 LEU 62 HB1 LEU 62 -0.966 -4.400 -0.101 502 HG LEU 62 HG LEU 62 0.304 -4.194 1.921 503 HD11 LEU 62 HD11 LEU 62 2.711 -3.821 1.981 504 HD12 LEU 62 HD12 LEU 62 2.796 -4.105 0.242 505 HD13 LEU 62 HD13 LEU 62 2.314 -5.409 1.324 506 HD21 LEU 62 HD21 LEU 62 1.227 -1.937 1.673 507 HD22 LEU 62 HD22 LEU 62 -0.327 -2.123 0.859 508 HD23 LEU 62 HD23 LEU 62 1.162 -2.121 -0.079 509 H GLN 63 HN GLN 63 -0.561 -6.196 -2.713 510 HA GLN 63 HA GLN 63 -3.287 -6.822 -2.313 511 HB2 GLN 63 HB2 GLN 63 -3.363 -7.387 -4.733 512 HB3 GLN 63 HB1 GLN 63 -2.656 -5.813 -4.391 513 HG2 GLN 63 HG2 GLN 63 -0.516 -6.519 -4.914 514 HG3 GLN 63 HG1 GLN 63 -0.925 -8.218 -4.723 515 HE21 GLN 63 HE21 GLN 63 -3.031 -6.123 -6.494 516 HE22 GLN 63 HE22 GLN 63 -2.647 -6.759 -8.049 517 H ARG 64 HN ARG 64 -0.564 -8.853 -2.230 518 HA ARG 64 HA ARG 64 -2.091 -11.231 -2.905 519 HB2 ARG 64 HB2 ARG 64 0.823 -10.883 -2.187 520 HB3 ARG 64 HB1 ARG 64 0.080 -12.429 -2.569 521 HG2 ARG 64 HG2 ARG 64 0.294 -10.064 -4.431 522 HG3 ARG 64 HG1 ARG 64 1.280 -11.524 -4.486 523 HD2 ARG 64 HD2 ARG 64 -0.701 -12.870 -4.942 524 HD3 ARG 64 HD1 ARG 64 -1.724 -11.441 -4.828 525 HE ARG 64 HE ARG 64 0.204 -10.960 -6.759 526 HH11 ARG 64 HH11 ARG 64 -2.550 -13.147 -6.287 527 HH12 ARG 64 HH12 ARG 64 -2.891 -13.271 -7.955 528 HH21 ARG 64 HH21 ARG 64 -0.331 -11.137 -9.061 529 HH22 ARG 64 HH22 ARG 64 -1.645 -12.129 -9.514 530 H ARG 65 HN ARG 65 -2.132 -9.397 -0.389 531 HA ARG 65 HA ARG 65 -2.470 -11.620 1.469 532 HB2 ARG 65 HB2 ARG 65 -1.559 -8.785 2.073 533 HB3 ARG 65 HB1 ARG 65 -1.922 -9.999 3.293 534 HG2 ARG 65 HG2 ARG 65 0.261 -10.198 1.222 535 HG3 ARG 65 HG1 ARG 65 0.498 -9.765 2.911 536 HD2 ARG 65 HD2 ARG 65 -0.322 -11.951 3.604 537 HD3 ARG 65 HD1 ARG 65 -0.653 -12.374 1.927 538 HE ARG 65 HE ARG 65 2.057 -11.660 2.239 539 HH11 ARG 65 HH11 ARG 65 -0.178 -14.298 2.963 540 HH12 ARG 65 HH12 ARG 65 0.998 -15.512 2.878 541 HH21 ARG 65 HH21 ARG 65 3.683 -13.279 2.139 542 HH22 ARG 65 HH22 ARG 65 3.278 -14.920 2.382 543 HA PRO 66 HA PRO 66 -6.606 -10.212 1.331 544 HB2 PRO 66 HB2 PRO 66 -7.691 -11.454 3.419 545 HB3 PRO 66 HB1 PRO 66 -6.988 -12.369 2.082 546 HG2 PRO 66 HG2 PRO 66 -5.844 -11.783 4.780 547 HG3 PRO 66 HG1 PRO 66 -5.773 -13.281 3.837 548 HD2 PRO 66 HD2 PRO 66 -3.745 -11.389 3.979 549 HD3 PRO 66 HD1 PRO 66 -3.924 -12.595 2.694 550 H GLY 67 HN GLY 67 -4.715 -8.437 3.009 551 HA2 GLY 67 HA2 GLY 67 -6.688 -6.640 3.920 552 HA3 GLY 67 HA1 GLY 67 -6.035 -7.528 5.293 553 H TRP 68 HN TRP 68 -5.392 -5.159 2.845 554 HA TRP 68 HA TRP 68 -2.910 -4.578 4.275 555 HB2 TRP 68 HB2 TRP 68 -1.907 -3.849 2.191 556 HB3 TRP 68 HB1 TRP 68 -2.376 -5.543 2.115 557 HD1 TRP 68 HD1 TRP 68 -4.480 -6.121 0.437 558 HE1 TRP 68 HE1 TRP 68 -5.357 -4.877 -1.645 559 HE3 TRP 68 HE3 TRP 68 -2.258 -1.571 1.190 560 HZ2 TRP 68 HZ2 TRP 68 -5.126 -2.318 -2.813 561 HZ3 TRP 68 HZ3 TRP 68 -2.626 0.212 -0.460 562 HH2 TRP 68 HH2 TRP 68 -4.031 -0.151 -2.417 563 H VAL 69 HN VAL 69 -5.815 -3.281 2.853 564 HA VAL 69 HA VAL 69 -5.055 -0.701 2.251 565 HB VAL 69 HB VAL 69 -7.786 -1.559 3.215 566 HG11 VAL 69 HG11 VAL 69 -8.604 0.340 1.907 567 HG12 VAL 69 HG12 VAL 69 -6.942 0.805 1.540 568 HG13 VAL 69 HG13 VAL 69 -7.529 0.861 3.203 569 HG21 VAL 69 HG21 VAL 69 -8.315 -1.842 0.835 570 HG22 VAL 69 HG22 VAL 69 -7.024 -2.932 1.344 571 HG23 VAL 69 HG23 VAL 69 -6.640 -1.479 0.421 572 H GLU 70 HN GLU 70 -6.685 -1.674 5.305 573 HA GLU 70 HA GLU 70 -6.710 0.882 6.418 574 HB2 GLU 70 HB2 GLU 70 -6.758 -1.833 7.660 575 HB3 GLU 70 HB1 GLU 70 -7.137 -0.338 8.485 576 HG2 GLU 70 HG2 GLU 70 -9.045 0.023 7.103 577 HG3 GLU 70 HG1 GLU 70 -8.622 -1.360 6.086 578 H TYR 71 HN TYR 71 -4.321 -1.676 6.504 579 HA TYR 71 HA TYR 71 -2.808 -0.636 8.661 580 HB2 TYR 71 HB2 TYR 71 -2.079 -2.604 6.496 581 HB3 TYR 71 HB1 TYR 71 -1.222 -2.344 8.008 582 HD1 TYR 71 HD1 TYR 71 -2.137 -3.162 10.113 583 HD2 TYR 71 HD2 TYR 71 -4.176 -3.828 6.440 584 HE1 TYR 71 HE1 TYR 71 -3.528 -4.875 11.193 585 HE2 TYR 71 HE2 TYR 71 -5.569 -5.535 7.513 586 HH TYR 71 HH TYR 71 -5.412 -7.034 9.424 587 H PHE 72 HN PHE 72 -2.723 -0.538 5.160 588 HA PHE 72 HA PHE 72 -0.274 0.779 4.927 589 HB2 PHE 72 HB2 PHE 72 -1.357 -0.437 3.065 590 HB3 PHE 72 HB1 PHE 72 -2.619 0.788 3.015 591 HD1 PHE 72 HD1 PHE 72 1.087 0.473 2.829 592 HD2 PHE 72 HD2 PHE 72 -2.401 2.515 1.521 593 HE1 PHE 72 HE1 PHE 72 2.449 1.787 1.263 594 HE2 PHE 72 HE2 PHE 72 -1.040 3.840 -0.042 595 HZ PHE 72 HZ PHE 72 1.389 3.474 -0.168 596 H ILE 73 HN ILE 73 -3.592 1.960 5.243 597 HA ILE 73 HA ILE 73 -3.163 4.701 4.862 598 HB ILE 73 HB ILE 73 -5.089 3.427 6.847 599 HG12 ILE 73 HG12 ILE 73 -5.538 4.315 3.989 600 HG13 ILE 73 HG11 ILE 73 -5.405 2.646 4.523 601 HG21 ILE 73 HG21 ILE 73 -4.756 5.806 7.315 602 HG22 ILE 73 HG22 ILE 73 -6.375 5.518 6.676 603 HG23 ILE 73 HG23 ILE 73 -5.125 6.200 5.634 604 HD11 ILE 73 HD11 ILE 73 -7.566 4.596 5.292 605 HD12 ILE 73 HD12 ILE 73 -7.451 2.925 5.848 606 HD13 ILE 73 HD13 ILE 73 -7.714 3.272 4.138 607 H ALA 74 HN ALA 74 -2.801 2.755 7.766 608 HA ALA 74 HA ALA 74 -2.126 4.867 9.523 609 HB1 ALA 74 HB1 ALA 74 -1.446 3.103 11.067 610 HB2 ALA 74 HB2 ALA 74 -1.510 1.919 9.764 611 HB3 ALA 74 HB3 ALA 74 -2.990 2.706 10.312 612 H ALA 75 HN ALA 75 -0.360 3.019 7.243 613 HA ALA 75 HA ALA 75 2.220 3.435 8.301 614 HB1 ALA 75 HB1 ALA 75 1.687 1.617 6.726 615 HB2 ALA 75 HB2 ALA 75 3.039 2.619 6.198 616 HB3 ALA 75 HB3 ALA 75 1.448 2.821 5.461 617 H LEU 76 HN LEU 76 0.425 5.177 5.618 618 HA LEU 76 HA LEU 76 2.472 6.993 5.178 619 HB2 LEU 76 HB2 LEU 76 -0.480 7.493 4.905 620 HB3 LEU 76 HB1 LEU 76 0.798 8.403 4.141 621 HG LEU 76 HG LEU 76 0.112 7.221 2.438 622 HD11 LEU 76 HD11 LEU 76 2.341 6.712 2.491 623 HD12 LEU 76 HD12 LEU 76 1.473 5.301 1.878 624 HD13 LEU 76 HD13 LEU 76 2.086 5.314 3.535 625 HD21 LEU 76 HD21 LEU 76 -1.705 6.072 3.420 626 HD22 LEU 76 HD22 LEU 76 -0.621 4.896 4.162 627 HD23 LEU 76 HD23 LEU 76 -0.801 4.949 2.411 628 H ARG 77 HN ARG 77 -0.263 7.043 7.389 629 HA ARG 77 HA ARG 77 0.192 9.664 8.337 630 HB2 ARG 77 HB2 ARG 77 -1.959 8.508 8.630 631 HB3 ARG 77 HB1 ARG 77 -1.197 7.346 9.699 632 HG2 ARG 77 HG2 ARG 77 -0.775 9.021 11.351 633 HG3 ARG 77 HG1 ARG 77 -1.316 10.294 10.262 634 HD2 ARG 77 HD2 ARG 77 -3.015 9.758 11.945 635 HD3 ARG 77 HD1 ARG 77 -3.576 9.422 10.315 636 HE ARG 77 HE ARG 77 -3.243 7.085 10.746 637 HH11 ARG 77 HH11 ARG 77 -3.072 9.100 13.654 638 HH12 ARG 77 HH12 ARG 77 -3.782 7.959 14.686 639 HH21 ARG 77 HH21 ARG 77 -4.209 5.499 12.148 640 HH22 ARG 77 HH22 ARG 77 -4.478 5.845 13.801 641 H GLY 78 HN GLY 78 1.407 6.540 9.264 642 HA2 GLY 78 HA2 GLY 78 2.672 7.276 11.675 643 HA3 GLY 78 HA1 GLY 78 3.018 5.851 10.715 644 H CYS 79 HN CYS 79 3.646 7.725 8.369 645 HA CYS 79 HA CYS 79 6.315 8.394 9.323 646 HB2 CYS 79 HB2 CYS 79 6.935 8.385 6.853 647 HB3 CYS 79 HB1 CYS 79 6.514 6.832 7.555 648 HG CYS 79 HG CYS 79 4.113 6.587 6.396 649 H GLU 80 HN GLU 80 3.786 9.948 9.483 650 HA GLU 80 HA GLU 80 3.273 12.118 9.797 651 HB2 GLU 80 HB2 GLU 80 5.902 12.895 8.501 652 HB3 GLU 80 HB1 GLU 80 4.854 13.948 9.429 653 HG2 GLU 80 HG2 GLU 80 6.425 11.600 10.467 654 HG3 GLU 80 HG1 GLU 80 6.799 13.299 10.718 655 H LEU 81 HN LEU 81 3.298 10.635 6.956 656 HA LEU 81 HA LEU 81 2.686 13.006 5.388 657 HB2 LEU 81 HB2 LEU 81 3.038 10.138 4.505 658 HB3 LEU 81 HB1 LEU 81 2.747 11.498 3.436 659 HG LEU 81 HG LEU 81 5.193 11.166 5.182 660 HD11 LEU 81 HD11 LEU 81 5.225 9.533 3.461 661 HD12 LEU 81 HD12 LEU 81 6.380 10.797 3.061 662 HD13 LEU 81 HD13 LEU 81 4.824 10.727 2.230 663 HD21 LEU 81 HD21 LEU 81 4.648 13.514 4.767 664 HD22 LEU 81 HD22 LEU 81 4.575 13.185 3.034 665 HD23 LEU 81 HD23 LEU 81 6.104 13.032 3.896 666 H VAL 82 HN VAL 82 0.846 13.438 6.491 667 HA VAL 82 HA VAL 82 -1.327 11.644 6.828 668 HB VAL 82 HB VAL 82 -1.369 14.678 6.922 669 HG11 VAL 82 HG11 VAL 82 -3.614 13.727 6.826 670 HG12 VAL 82 HG12 VAL 82 -3.296 14.417 8.418 671 HG13 VAL 82 HG13 VAL 82 -3.236 12.672 8.188 672 HG21 VAL 82 HG21 VAL 82 -1.033 14.433 9.348 673 HG22 VAL 82 HG22 VAL 82 0.333 13.809 8.424 674 HG23 VAL 82 HG23 VAL 82 -0.833 12.694 9.133 675 H ASP 83 HN ASP 83 -0.372 13.751 4.251 676 HA ASP 83 HA ASP 83 -2.888 14.042 3.010 677 HB2 ASP 83 HB2 ASP 83 -1.645 14.863 1.074 678 HB3 ASP 83 HB1 ASP 83 -0.986 15.548 2.549 679 H LEU 84 HN LEU 84 -0.256 11.721 2.553 680 HA LEU 84 HA LEU 84 -1.557 10.364 0.417 681 HB2 LEU 84 HB2 LEU 84 0.657 9.446 2.250 682 HB3 LEU 84 HB1 LEU 84 0.110 8.564 0.838 683 HG LEU 84 HG LEU 84 1.369 11.304 0.789 684 HD11 LEU 84 HD11 LEU 84 3.294 10.152 -0.184 685 HD12 LEU 84 HD12 LEU 84 2.479 8.605 0.042 686 HD13 LEU 84 HD13 LEU 84 2.950 9.565 1.444 687 HD21 LEU 84 HD21 LEU 84 0.608 9.420 -1.437 688 HD22 LEU 84 HD22 LEU 84 1.494 10.926 -1.634 689 HD23 LEU 84 HD23 LEU 84 -0.182 10.957 -1.077 690 H ALA 85 HN ALA 85 -1.647 10.121 3.856 691 HA ALA 85 HA ALA 85 -2.957 7.616 4.048 692 HB1 ALA 85 HB1 ALA 85 -3.062 9.963 5.949 693 HB2 ALA 85 HB2 ALA 85 -1.853 8.682 5.982 694 HB3 ALA 85 HB3 ALA 85 -3.542 8.310 6.325 695 H ASP 86 HN ASP 86 -4.057 10.912 3.611 696 HA ASP 86 HA ASP 86 -6.827 10.415 3.933 697 HB2 ASP 86 HB2 ASP 86 -5.927 12.696 4.059 698 HB3 ASP 86 HB1 ASP 86 -5.475 12.614 2.360 699 H GLU 87 HN GLU 87 -4.679 10.366 1.142 700 HA GLU 87 HA GLU 87 -6.467 10.133 -0.901 701 HB2 GLU 87 HB2 GLU 87 -3.750 8.936 -0.464 702 HB3 GLU 87 HB1 GLU 87 -4.590 8.902 -2.000 703 HG2 GLU 87 HG2 GLU 87 -3.776 11.370 -0.502 704 HG3 GLU 87 HG1 GLU 87 -2.921 10.680 -1.880 705 H VAL 88 HN VAL 88 -4.812 7.491 0.817 706 HA VAL 88 HA VAL 88 -6.259 5.426 -0.443 707 HB VAL 88 HB VAL 88 -4.924 5.276 2.270 708 HG11 VAL 88 HG11 VAL 88 -5.490 3.120 0.229 709 HG12 VAL 88 HG12 VAL 88 -6.333 3.346 1.762 710 HG13 VAL 88 HG13 VAL 88 -4.629 2.894 1.752 711 HG21 VAL 88 HG21 VAL 88 -3.376 6.174 0.644 712 HG22 VAL 88 HG22 VAL 88 -3.726 4.841 -0.459 713 HG23 VAL 88 HG23 VAL 88 -2.919 4.530 1.081 714 H ALA 89 HN ALA 89 -6.808 7.198 2.556 715 HA ALA 89 HA ALA 89 -8.895 5.607 3.551 716 HB1 ALA 89 HB1 ALA 89 -8.447 8.555 4.016 717 HB2 ALA 89 HB2 ALA 89 -7.663 7.250 4.906 718 HB3 ALA 89 HB3 ALA 89 -9.408 7.466 5.018 719 H SER 90 HN SER 90 -8.881 8.203 1.205 720 HA SER 90 HA SER 90 -11.745 8.449 1.145 721 HB2 SER 90 HB2 SER 90 -9.688 9.443 -0.838 722 HB3 SER 90 HB1 SER 90 -11.364 9.986 -0.706 723 HG SER 90 HG SER 90 -9.258 10.304 1.151 724 H VAL 91 HN VAL 91 -9.275 6.699 -0.601 725 HA VAL 91 HA VAL 91 -10.891 5.809 -2.728 726 HB VAL 91 HB VAL 91 -8.429 4.496 -1.523 727 HG11 VAL 91 HG11 VAL 91 -9.702 2.895 -2.836 728 HG12 VAL 91 HG12 VAL 91 -8.224 3.360 -3.690 729 HG13 VAL 91 HG13 VAL 91 -9.775 4.035 -4.181 730 HG21 VAL 91 HG21 VAL 91 -8.730 6.340 -3.888 731 HG22 VAL 91 HG22 VAL 91 -7.244 5.532 -3.401 732 HG23 VAL 91 HG23 VAL 91 -7.980 6.736 -2.342 733 H TYR 92 HN TYR 92 -10.004 4.273 0.364 734 HA TYR 92 HA TYR 92 -11.688 2.021 -0.051 735 HB2 TYR 92 HB2 TYR 92 -9.711 2.126 1.528 736 HB3 TYR 92 HB1 TYR 92 -10.708 3.083 2.609 737 HD1 TYR 92 HD1 TYR 92 -10.741 -0.208 0.821 738 HD2 TYR 92 HD2 TYR 92 -11.893 1.960 4.304 739 HE1 TYR 92 HE1 TYR 92 -11.545 -2.298 1.843 740 HE2 TYR 92 HE2 TYR 92 -12.712 -0.125 5.329 741 HH TYR 92 HH TYR 92 -11.973 -3.194 4.026 742 H GLN 93 HN GLN 93 -12.245 5.214 1.065 743 HA GLN 93 HA GLN 93 -14.721 4.784 2.387 744 HB2 GLN 93 HB2 GLN 93 -13.342 6.851 2.607 745 HB3 GLN 93 HB1 GLN 93 -13.738 7.256 0.950 746 HG2 GLN 93 HG2 GLN 93 -16.121 7.393 1.598 747 HG3 GLN 93 HG1 GLN 93 -15.654 7.102 3.271 748 HE21 GLN 93 HE21 GLN 93 -16.370 9.100 3.991 749 HE22 GLN 93 HE22 GLN 93 -15.564 10.569 3.585 750 H SER 94 HN SER 94 -13.723 4.942 -0.889 751 HA SER 94 HA SER 94 -16.413 5.346 -1.904 752 HB2 SER 94 HB2 SER 94 -13.770 5.118 -3.355 753 HB3 SER 94 HB1 SER 94 -15.311 5.633 -4.052 754 HG SER 94 HG SER 94 -13.691 6.977 -2.143 755 H TYR 95 HN TYR 95 -14.311 2.825 -1.038 756 HA TYR 95 HA TYR 95 -15.875 0.845 -2.529 757 HB2 TYR 95 HB2 TYR 95 -12.880 0.758 -2.064 758 HB3 TYR 95 HB1 TYR 95 -13.871 -0.462 -2.850 759 HD1 TYR 95 HD1 TYR 95 -15.394 0.636 -4.832 760 HD2 TYR 95 HD2 TYR 95 -11.597 2.011 -3.514 761 HE1 TYR 95 HE1 TYR 95 -15.031 1.695 -7.006 762 HE2 TYR 95 HE2 TYR 95 -11.225 3.084 -5.692 763 HH TYR 95 HH TYR 95 -13.646 3.614 -7.906 764 H GLN 96 HN GLN 96 -17.125 0.853 -0.723 765 HA GLN 96 HA GLN 96 -17.855 0.292 1.251 766 HB2 GLN 96 HB2 GLN 96 -16.159 -2.102 0.655 767 HB3 GLN 96 HB1 GLN 96 -17.186 -2.020 2.086 768 HG2 GLN 96 HG2 GLN 96 -18.115 -1.635 -0.728 769 HG3 GLN 96 HG1 GLN 96 -18.303 -3.145 0.191 770 HE21 GLN 96 HE21 GLN 96 -20.324 -1.421 -0.988 771 HE22 GLN 96 HE22 GLN 96 -21.349 -0.895 0.280 772 HA PRO 97 HA PRO 97 -14.700 2.324 3.746 773 HB2 PRO 97 HB2 PRO 97 -16.506 3.697 5.246 774 HB3 PRO 97 HB1 PRO 97 -16.026 4.249 3.646 775 HG2 PRO 97 HG2 PRO 97 -18.431 2.686 4.474 776 HG3 PRO 97 HG1 PRO 97 -18.371 4.066 3.391 777 HD2 PRO 97 HD2 PRO 97 -18.549 1.554 2.528 778 HD3 PRO 97 HD1 PRO 97 -17.598 2.711 1.588 779 H ARG 98 HN ARG 98 -17.387 0.414 4.557 780 HA ARG 98 HA ARG 98 -16.488 0.032 7.310 781 HB2 ARG 98 HB2 ARG 98 -19.155 -0.609 6.040 782 HB3 ARG 98 HB1 ARG 98 -18.762 -0.734 7.746 783 HG2 ARG 98 HG2 ARG 98 -18.413 1.731 7.801 784 HG3 ARG 98 HG1 ARG 98 -18.936 1.811 6.123 785 HD2 ARG 98 HD2 ARG 98 -20.783 2.361 7.581 786 HD3 ARG 98 HD1 ARG 98 -21.093 0.826 6.776 787 HE ARG 98 HE ARG 98 -19.843 0.353 9.221 788 HH11 ARG 98 HH11 ARG 98 -22.955 1.536 8.028 789 HH12 ARG 98 HH12 ARG 98 -23.849 0.942 9.336 790 HH21 ARG 98 HH21 ARG 98 -21.083 -0.452 11.049 791 HH22 ARG 98 HH22 ARG 98 -22.759 -0.212 11.095 792 H THR 99 HN THR 99 -15.233 -1.741 7.433 793 HA THR 99 HA THR 99 -15.102 -3.677 5.419 794 HB THR 99 HB THR 99 -14.146 -4.039 8.259 795 HG1 THR 99 HG1 THR 99 -13.034 -2.565 6.078 796 HG21 THR 99 HG21 THR 99 -13.936 -5.988 6.780 797 HG22 THR 99 HG22 THR 99 -12.345 -5.302 7.124 798 HG23 THR 99 HG23 THR 99 -13.124 -4.992 5.575 799 H SER 100 HN SER 100 -16.870 -4.781 4.989 800 HA SER 100 HA SER 100 -18.146 -6.318 7.114 801 HB2 SER 100 HB2 SER 100 -19.342 -5.341 4.511 802 HB3 SER 100 HB1 SER 100 -20.200 -6.156 5.820 803 HG SER 100 HG SER 100 -19.568 -3.555 5.495 Start of MODEL 16 1 H1 GLY -1 HT1 GLY -1 -12.536 -4.378 5.370 2 H2 GLY -1 HT2 GLY -1 -11.574 -4.821 4.040 3 H3 GLY -1 HT3 GLY -1 -10.863 -4.550 5.544 4 HA2 GLY -1 HA1 GLY -1 -11.924 -6.410 6.502 5 HA3 GLY -1 HA2 GLY -1 -12.794 -6.703 4.995 6 H SER 0 HN SER 0 -11.334 -8.694 6.073 7 HA SER 0 HA SER 0 -8.738 -8.827 4.789 8 HB2 SER 0 HB2 SER 0 -10.270 -10.905 6.387 9 HB3 SER 0 HB1 SER 0 -8.566 -10.985 5.938 10 HG SER 0 HG SER 0 -9.828 -9.180 7.727 11 H MET 1 HN MET 1 -10.268 -8.438 2.793 12 HA MET 1 HA MET 1 -10.342 -10.583 1.189 13 HB2 MET 1 HB2 MET 1 -12.814 -10.793 0.800 14 HB3 MET 1 HB1 MET 1 -12.263 -11.443 2.334 15 HG2 MET 1 HG2 MET 1 -13.109 -9.433 3.478 16 HG3 MET 1 HG1 MET 1 -13.653 -8.790 1.933 17 HE1 MET 1 HE1 MET 1 -13.829 -12.542 3.132 18 HE2 MET 1 HE2 MET 1 -15.430 -12.592 3.853 19 HE3 MET 1 HE3 MET 1 -14.154 -11.639 4.614 20 HA PRO 2 HA PRO 2 -9.940 -6.472 -0.569 21 HB2 PRO 2 HB2 PRO 2 -8.949 -7.446 -2.991 22 HB3 PRO 2 HB1 PRO 2 -7.986 -6.951 -1.592 23 HG2 PRO 2 HG2 PRO 2 -8.823 -9.666 -2.453 24 HG3 PRO 2 HG1 PRO 2 -7.323 -9.152 -1.664 25 HD2 PRO 2 HD2 PRO 2 -9.316 -10.414 -0.293 26 HD3 PRO 2 HD1 PRO 2 -8.294 -9.203 0.455 27 H PHE 3 HN PHE 3 -11.938 -5.962 -0.719 28 HA PHE 3 HA PHE 3 -13.461 -6.694 -3.134 29 HB2 PHE 3 HB2 PHE 3 -14.425 -7.370 -0.885 30 HB3 PHE 3 HB1 PHE 3 -14.479 -5.669 -0.465 31 HD1 PHE 3 HD1 PHE 3 -16.077 -4.165 -1.615 32 HD2 PHE 3 HD2 PHE 3 -16.036 -8.364 -2.285 33 HE1 PHE 3 HE1 PHE 3 -18.340 -4.033 -2.570 34 HE2 PHE 3 HE2 PHE 3 -18.289 -8.238 -3.242 35 HZ PHE 3 HZ PHE 3 -19.448 -6.071 -3.385 36 H ALA 4 HN ALA 4 -13.347 -4.187 -0.671 37 HA ALA 4 HA ALA 4 -13.666 -2.065 -2.630 38 HB1 ALA 4 HB1 ALA 4 -13.830 -0.654 -0.608 39 HB2 ALA 4 HB2 ALA 4 -13.446 -2.058 0.386 40 HB3 ALA 4 HB3 ALA 4 -14.937 -2.011 -0.554 41 H GLU 5 HN GLU 5 -11.323 -3.621 -0.644 42 HA GLU 5 HA GLU 5 -9.229 -1.762 -0.732 43 HB2 GLU 5 HB2 GLU 5 -9.044 -4.783 -0.603 44 HB3 GLU 5 HB1 GLU 5 -7.795 -3.658 -0.152 45 HG2 GLU 5 HG2 GLU 5 -8.724 -4.499 1.871 46 HG3 GLU 5 HG1 GLU 5 -9.276 -2.842 1.697 47 H ASP 6 HN ASP 6 -10.320 -4.318 -2.807 48 HA ASP 6 HA ASP 6 -8.160 -4.336 -4.656 49 HB2 ASP 6 HB2 ASP 6 -9.599 -6.243 -4.614 50 HB3 ASP 6 HB1 ASP 6 -11.025 -5.244 -4.867 51 H LYS 7 HN LYS 7 -11.214 -2.658 -4.488 52 HA LYS 7 HA LYS 7 -11.083 -1.325 -6.988 53 HB2 LYS 7 HB2 LYS 7 -12.496 -0.486 -4.446 54 HB3 LYS 7 HB1 LYS 7 -12.834 0.129 -6.054 55 HG2 LYS 7 HG2 LYS 7 -13.183 -2.749 -5.217 56 HG3 LYS 7 HG1 LYS 7 -14.474 -1.552 -5.235 57 HD2 LYS 7 HD2 LYS 7 -12.853 -2.257 -7.684 58 HD3 LYS 7 HD1 LYS 7 -14.340 -3.092 -7.243 59 HE2 LYS 7 HE2 LYS 7 -15.598 -1.059 -7.387 60 HE3 LYS 7 HE1 LYS 7 -14.147 -0.106 -7.646 61 HZ1 LYS 7 HZ1 LYS 7 -15.174 -2.201 -9.492 62 HZ2 LYS 7 HZ2 LYS 7 -13.832 -1.197 -9.755 63 HZ3 LYS 7 HZ3 LYS 7 -15.376 -0.530 -9.673 64 H THR 8 HN THR 8 -9.881 -0.670 -3.791 65 HA THR 8 HA THR 8 -8.995 1.955 -4.193 66 HB THR 8 HB THR 8 -7.906 -0.186 -2.334 67 HG1 THR 8 HG1 THR 8 -10.218 0.399 -2.104 68 HG21 THR 8 HG21 THR 8 -6.364 1.729 -2.568 69 HG22 THR 8 HG22 THR 8 -7.089 1.687 -0.964 70 HG23 THR 8 HG23 THR 8 -7.680 2.833 -2.170 71 H TYR 9 HN TYR 9 -7.403 -1.208 -4.589 72 HA TYR 9 HA TYR 9 -4.886 -0.293 -5.387 73 HB2 TYR 9 HB2 TYR 9 -5.245 -2.639 -4.783 74 HB3 TYR 9 HB1 TYR 9 -6.328 -2.842 -6.148 75 HD1 TYR 9 HD2 TYR 9 -2.803 -1.869 -5.390 76 HD2 TYR 9 HD1 TYR 9 -5.487 -3.745 -8.099 77 HE1 TYR 9 HE2 TYR 9 -0.901 -2.574 -6.791 78 HE2 TYR 9 HE1 TYR 9 -3.591 -4.460 -9.497 79 HH TYR 9 HH TYR 9 -1.249 -3.865 -9.921 80 H LYS 10 HN LYS 10 -7.756 -1.040 -7.281 81 HA LYS 10 HA LYS 10 -6.796 -0.629 -9.872 82 HB2 LYS 10 HB2 LYS 10 -9.503 0.087 -8.747 83 HB3 LYS 10 HB1 LYS 10 -9.129 0.014 -10.455 84 HG2 LYS 10 HG2 LYS 10 -9.079 -2.309 -8.533 85 HG3 LYS 10 HG1 LYS 10 -10.357 -1.956 -9.693 86 HD2 LYS 10 HD2 LYS 10 -8.607 -2.124 -11.494 87 HD3 LYS 10 HD1 LYS 10 -7.507 -2.734 -10.254 88 HE2 LYS 10 HE2 LYS 10 -10.145 -3.969 -11.037 89 HE3 LYS 10 HE1 LYS 10 -8.555 -4.541 -11.528 90 HZ1 LYS 10 HZ1 LYS 10 -9.633 -4.544 -8.731 91 HZ2 LYS 10 HZ2 LYS 10 -8.080 -4.990 -9.159 92 HZ3 LYS 10 HZ3 LYS 10 -9.382 -5.845 -9.744 93 H TYR 11 HN TYR 11 -8.169 1.632 -7.590 94 HA TYR 11 HA TYR 11 -8.148 3.973 -9.150 95 HB2 TYR 11 HB2 TYR 11 -9.357 3.415 -6.907 96 HB3 TYR 11 HB1 TYR 11 -7.840 3.839 -6.185 97 HD1 TYR 11 HD1 TYR 11 -6.981 6.133 -6.230 98 HD2 TYR 11 HD2 TYR 11 -10.817 5.161 -7.778 99 HE1 TYR 11 HE1 TYR 11 -7.615 8.494 -6.120 100 HE2 TYR 11 HE2 TYR 11 -11.463 7.531 -7.679 101 HH TYR 11 HH TYR 11 -9.165 9.993 -7.106 102 H ILE 12 HN ILE 12 -6.005 2.892 -6.546 103 HA ILE 12 HA ILE 12 -4.210 5.089 -6.657 104 HB ILE 12 HB ILE 12 -3.846 2.322 -5.450 105 HG12 ILE 12 HG12 ILE 12 -5.812 3.529 -4.588 106 HG13 ILE 12 HG11 ILE 12 -4.587 3.295 -3.337 107 HG21 ILE 12 HG21 ILE 12 -1.688 3.423 -5.682 108 HG22 ILE 12 HG22 ILE 12 -2.153 3.327 -3.985 109 HG23 ILE 12 HG23 ILE 12 -2.313 4.852 -4.858 110 HD11 ILE 12 HD11 ILE 12 -3.896 5.643 -3.669 111 HD12 ILE 12 HD12 ILE 12 -5.573 5.483 -3.157 112 HD13 ILE 12 HD13 ILE 12 -5.196 5.837 -4.846 113 H CYS 13 HN CYS 13 -4.317 2.142 -8.481 114 HA CYS 13 HA CYS 13 -1.672 1.965 -9.353 115 HB2 CYS 13 HB2 CYS 13 -3.433 0.283 -9.810 116 HB3 CYS 13 HB1 CYS 13 -4.187 1.395 -10.938 117 HG CYS 13 HG CYS 13 -1.166 1.213 -11.961 118 H ARG 14 HN ARG 14 -4.157 4.180 -10.158 119 HA ARG 14 HA ARG 14 -2.942 5.281 -12.522 120 HB2 ARG 14 HB2 ARG 14 -5.304 5.430 -12.383 121 HB3 ARG 14 HB1 ARG 14 -5.234 6.118 -10.770 122 HG2 ARG 14 HG2 ARG 14 -4.382 8.175 -11.606 123 HG3 ARG 14 HG1 ARG 14 -4.200 7.515 -13.219 124 HD2 ARG 14 HD2 ARG 14 -6.625 7.243 -13.365 125 HD3 ARG 14 HD1 ARG 14 -6.790 7.890 -11.736 126 HE ARG 14 HE ARG 14 -5.416 9.807 -12.977 127 HH11 ARG 14 HH11 ARG 14 -8.394 8.123 -13.883 128 HH12 ARG 14 HH12 ARG 14 -9.052 9.451 -14.717 129 HH21 ARG 14 HH21 ARG 14 -6.325 11.619 -14.118 130 HH22 ARG 14 HH22 ARG 14 -7.857 11.504 -14.834 131 H ASN 15 HN ASN 15 -3.022 6.092 -9.120 132 HA ASN 15 HA ASN 15 -1.497 8.546 -9.623 133 HB2 ASN 15 HB2 ASN 15 -2.317 9.199 -7.286 134 HB3 ASN 15 HB1 ASN 15 -3.527 9.053 -8.565 135 HD21 ASN 15 HD21 ASN 15 -4.998 7.553 -8.547 136 HD22 ASN 15 HD22 ASN 15 -5.292 6.539 -7.177 137 H PHE 16 HN PHE 16 -0.690 5.751 -9.299 138 HA PHE 16 HA PHE 16 0.819 5.115 -7.128 139 HB2 PHE 16 HB2 PHE 16 0.686 3.564 -8.901 140 HB3 PHE 16 HB1 PHE 16 1.354 4.698 -10.061 141 HD1 PHE 16 HD1 PHE 16 2.244 2.769 -7.009 142 HD2 PHE 16 HD2 PHE 16 3.606 4.630 -10.584 143 HE1 PHE 16 HE1 PHE 16 4.482 1.823 -6.657 144 HE2 PHE 16 HE2 PHE 16 5.844 3.688 -10.231 145 HZ PHE 16 HZ PHE 16 6.282 2.286 -8.265 146 H SER 17 HN SER 17 1.779 7.453 -9.637 147 HA SER 17 HA SER 17 4.418 7.668 -8.562 148 HB2 SER 17 HB2 SER 17 3.099 9.413 -10.646 149 HB3 SER 17 HB1 SER 17 4.828 9.233 -10.342 150 HG SER 17 HG SER 17 4.732 7.684 -11.711 151 H ASN 18 HN ASN 18 1.510 8.898 -7.531 152 HA ASN 18 HA ASN 18 2.369 11.492 -6.640 153 HB2 ASN 18 HB2 ASN 18 0.030 9.755 -5.813 154 HB3 ASN 18 HB1 ASN 18 0.340 11.329 -5.119 155 HD21 ASN 18 HD21 ASN 18 -1.617 12.090 -5.798 156 HD22 ASN 18 HD22 ASN 18 -2.020 12.443 -7.426 157 H PHE 19 HN PHE 19 2.588 8.240 -5.466 158 HA PHE 19 HA PHE 19 3.232 9.121 -2.758 159 HB2 PHE 19 HB2 PHE 19 2.785 6.356 -3.870 160 HB3 PHE 19 HB1 PHE 19 3.017 6.780 -2.186 161 HD1 PHE 19 HD1 PHE 19 1.232 7.885 -0.950 162 HD2 PHE 19 HD2 PHE 19 0.714 6.655 -4.975 163 HE1 PHE 19 HE1 PHE 19 -1.202 8.108 -0.696 164 HE2 PHE 19 HE2 PHE 19 -1.719 6.889 -4.740 165 HZ PHE 19 HZ PHE 19 -2.683 7.611 -2.600 166 H CYS 20 HN CYS 20 4.961 8.617 -5.556 167 HA CYS 20 HA CYS 20 6.773 6.628 -4.774 168 HB2 CYS 20 HB2 CYS 20 6.914 8.664 -6.955 169 HB3 CYS 20 HB1 CYS 20 8.108 7.390 -6.731 170 HG CYS 20 HG CYS 20 4.865 6.387 -6.918 171 H ASN 21 HN ASN 21 6.707 9.696 -3.470 172 HA ASN 21 HA ASN 21 9.590 9.515 -2.924 173 HB2 ASN 21 HB2 ASN 21 8.908 11.598 -4.160 174 HB3 ASN 21 HB1 ASN 21 7.861 12.023 -2.817 175 HD21 ASN 21 HD21 ASN 21 11.166 11.745 -3.897 176 HD22 ASN 21 HD22 ASN 21 11.862 12.692 -2.644 177 H VAL 22 HN VAL 22 7.077 8.352 -1.694 178 HA VAL 22 HA VAL 22 6.904 9.404 0.971 179 HB VAL 22 HB VAL 22 5.179 7.939 -0.379 180 HG11 VAL 22 HG11 VAL 22 6.528 6.227 -1.002 181 HG12 VAL 22 HG12 VAL 22 5.160 5.646 -0.041 182 HG13 VAL 22 HG13 VAL 22 6.789 5.718 0.679 183 HG21 VAL 22 HG21 VAL 22 5.667 7.308 2.534 184 HG22 VAL 22 HG22 VAL 22 4.201 6.970 1.625 185 HG23 VAL 22 HG23 VAL 22 4.692 8.636 1.890 186 H ASP 23 HN ASP 23 7.385 7.701 2.868 187 HA ASP 23 HA ASP 23 9.952 6.429 2.303 188 HB2 ASP 23 HB2 ASP 23 10.016 8.218 4.053 189 HB3 ASP 23 HB1 ASP 23 8.870 7.276 5.003 190 H VAL 24 HN VAL 24 9.701 4.400 1.979 191 HA VAL 24 HA VAL 24 7.326 3.010 2.837 192 HB VAL 24 HB VAL 24 9.554 2.331 0.920 193 HG11 VAL 24 HG11 VAL 24 7.237 0.543 1.689 194 HG12 VAL 24 HG12 VAL 24 8.963 0.177 1.927 195 HG13 VAL 24 HG13 VAL 24 8.287 0.336 0.290 196 HG21 VAL 24 HG21 VAL 24 6.598 2.653 0.566 197 HG22 VAL 24 HG22 VAL 24 7.774 2.348 -0.715 198 HG23 VAL 24 HG23 VAL 24 7.817 3.862 0.191 199 H VAL 25 HN VAL 25 10.656 3.119 3.702 200 HA VAL 25 HA VAL 25 10.568 0.652 5.102 201 HB VAL 25 HB VAL 25 12.622 1.302 6.295 202 HG11 VAL 25 HG11 VAL 25 14.080 1.354 4.272 203 HG12 VAL 25 HG12 VAL 25 12.649 1.685 3.296 204 HG13 VAL 25 HG13 VAL 25 12.788 0.160 4.167 205 HG21 VAL 25 HG21 VAL 25 12.329 3.685 6.469 206 HG22 VAL 25 HG22 VAL 25 12.394 3.858 4.718 207 HG23 VAL 25 HG23 VAL 25 13.833 3.351 5.607 208 H GLU 26 HN GLU 26 9.734 3.858 6.097 209 HA GLU 26 HA GLU 26 9.252 3.282 8.846 210 HB2 GLU 26 HB2 GLU 26 9.280 5.579 7.803 211 HB3 GLU 26 HB1 GLU 26 7.743 5.194 7.053 212 HG2 GLU 26 HG2 GLU 26 7.294 6.536 8.963 213 HG3 GLU 26 HG1 GLU 26 6.793 4.890 9.344 214 H ILE 27 HN ILE 27 7.351 3.043 5.941 215 HA ILE 27 HA ILE 27 4.796 2.339 6.920 216 HB ILE 27 HB ILE 27 6.236 1.852 4.322 217 HG12 ILE 27 HG12 ILE 27 4.015 3.776 5.057 218 HG13 ILE 27 HG11 ILE 27 5.701 4.164 4.767 219 HG21 ILE 27 HG21 ILE 27 4.146 1.201 3.224 220 HG22 ILE 27 HG22 ILE 27 3.366 1.075 4.799 221 HG23 ILE 27 HG23 ILE 27 4.721 0.028 4.401 222 HD11 ILE 27 HD11 ILE 27 3.753 3.128 2.719 223 HD12 ILE 27 HD12 ILE 27 5.446 3.519 2.422 224 HD13 ILE 27 HD13 ILE 27 4.319 4.791 2.883 225 H LEU 28 HN LEU 28 7.527 0.307 6.100 226 HA LEU 28 HA LEU 28 6.286 -2.123 5.958 227 HB2 LEU 28 HB2 LEU 28 9.083 -1.579 6.919 228 HB3 LEU 28 HB1 LEU 28 8.475 -3.165 6.478 229 HG LEU 28 HG LEU 28 8.630 -0.799 4.617 230 HD11 LEU 28 HD11 LEU 28 10.393 -3.212 4.853 231 HD12 LEU 28 HD12 LEU 28 10.828 -1.560 5.297 232 HD13 LEU 28 HD13 LEU 28 10.497 -1.962 3.612 233 HD21 LEU 28 HD21 LEU 28 8.223 -2.471 2.886 234 HD22 LEU 28 HD22 LEU 28 6.879 -2.390 4.019 235 HD23 LEU 28 HD23 LEU 28 8.048 -3.710 4.123 236 HA PRO 29 HA PRO 29 6.677 -3.288 10.612 237 HB2 PRO 29 HB2 PRO 29 7.148 -0.750 12.036 238 HB3 PRO 29 HB1 PRO 29 7.954 -2.307 12.242 239 HG2 PRO 29 HG2 PRO 29 9.237 -0.267 11.113 240 HG3 PRO 29 HG1 PRO 29 9.442 -1.919 10.508 241 HD2 PRO 29 HD2 PRO 29 7.713 0.279 9.406 242 HD3 PRO 29 HD1 PRO 29 8.836 -0.799 8.568 243 H TYR 30 HN TYR 30 5.042 -0.667 9.247 244 HA TYR 30 HA TYR 30 3.091 -0.557 11.359 245 HB2 TYR 30 HB2 TYR 30 3.781 1.173 9.067 246 HB3 TYR 30 HB1 TYR 30 2.150 1.331 9.646 247 HD1 TYR 30 HD2 TYR 30 2.572 0.966 12.573 248 HD2 TYR 30 HD1 TYR 30 4.902 3.114 9.730 249 HE1 TYR 30 HE2 TYR 30 3.453 2.359 14.364 250 HE2 TYR 30 HE1 TYR 30 5.791 4.526 11.542 251 HH TYR 30 HH TYR 30 5.168 5.219 13.833 252 H LEU 31 HN LEU 31 3.610 -2.441 8.757 253 HA LEU 31 HA LEU 31 0.754 -2.918 8.422 254 HB2 LEU 31 HB2 LEU 31 3.072 -3.384 6.588 255 HB3 LEU 31 HB1 LEU 31 1.599 -4.303 6.411 256 HG LEU 31 HG LEU 31 0.357 -2.215 6.004 257 HD11 LEU 31 HD11 LEU 31 1.525 -0.164 5.545 258 HD12 LEU 31 HD12 LEU 31 3.027 -0.892 6.122 259 HD13 LEU 31 HD13 LEU 31 1.676 -0.658 7.231 260 HD21 LEU 31 HD21 LEU 31 2.757 -2.590 4.261 261 HD22 LEU 31 HD22 LEU 31 1.265 -1.756 3.807 262 HD23 LEU 31 HD23 LEU 31 1.245 -3.489 4.143 263 HA PRO 32 HA PRO 32 2.108 -6.665 10.728 264 HB2 PRO 32 HB2 PRO 32 -0.449 -6.481 12.094 265 HB3 PRO 32 HB1 PRO 32 1.167 -6.302 12.782 266 HG2 PRO 32 HG2 PRO 32 -0.603 -4.242 12.588 267 HG3 PRO 32 HG1 PRO 32 1.155 -4.021 12.544 268 HD2 PRO 32 HD2 PRO 32 -0.796 -4.123 10.271 269 HD3 PRO 32 HD1 PRO 32 0.562 -3.009 10.544 270 H CYS 33 HN CYS 33 0.835 -6.461 8.177 271 HA CYS 33 HA CYS 33 -1.127 -8.644 8.334 272 HB2 CYS 33 HB2 CYS 33 -2.139 -6.530 7.561 273 HB3 CYS 33 HB1 CYS 33 -0.954 -6.429 6.267 274 HG CYS 33 HG CYS 33 -1.975 -9.144 5.545 275 H LEU 34 HN LEU 34 2.023 -8.026 7.616 276 HA LEU 34 HA LEU 34 2.029 -10.069 5.540 277 HB2 LEU 34 HB2 LEU 34 3.848 -7.680 5.649 278 HB3 LEU 34 HB1 LEU 34 4.006 -9.017 4.530 279 HG LEU 34 HG LEU 34 1.475 -8.253 4.027 280 HD11 LEU 34 HD11 LEU 34 1.434 -6.485 5.546 281 HD12 LEU 34 HD12 LEU 34 1.314 -5.872 3.891 282 HD13 LEU 34 HD13 LEU 34 2.835 -5.727 4.787 283 HD21 LEU 34 HD21 LEU 34 2.342 -7.164 2.053 284 HD22 LEU 34 HD22 LEU 34 3.209 -8.656 2.431 285 HD23 LEU 34 HD23 LEU 34 3.952 -7.094 2.796 286 H THR 35 HN THR 35 4.157 -11.296 5.438 287 HA THR 35 HA THR 35 4.954 -12.071 8.016 288 HB THR 35 HB THR 35 6.260 -12.732 5.444 289 HG1 THR 35 HG1 THR 35 3.679 -13.588 6.429 290 HG21 THR 35 HG21 THR 35 7.064 -13.762 7.451 291 HG22 THR 35 HG22 THR 35 6.272 -14.976 6.416 292 HG23 THR 35 HG23 THR 35 5.428 -14.309 7.828 293 H ALA 36 HN ALA 36 7.234 -12.128 8.611 294 HA ALA 36 HA ALA 36 8.549 -9.660 8.549 295 HB1 ALA 36 HB1 ALA 36 9.644 -12.376 9.187 296 HB2 ALA 36 HB2 ALA 36 8.833 -11.297 10.326 297 HB3 ALA 36 HB3 ALA 36 10.399 -10.845 9.635 298 H ARG 37 HN ARG 37 9.239 -12.694 6.806 299 HA ARG 37 HA ARG 37 11.483 -12.041 5.391 300 HB2 ARG 37 HB2 ARG 37 10.778 -13.735 3.818 301 HB3 ARG 37 HB1 ARG 37 10.445 -14.278 5.455 302 HG2 ARG 37 HG2 ARG 37 8.113 -13.778 5.206 303 HG3 ARG 37 HG1 ARG 37 8.390 -13.014 3.650 304 HD2 ARG 37 HD2 ARG 37 9.185 -15.283 2.860 305 HD3 ARG 37 HD1 ARG 37 8.529 -15.914 4.375 306 HE ARG 37 HE ARG 37 6.721 -14.251 2.884 307 HH11 ARG 37 HH11 ARG 37 7.662 -17.580 3.670 308 HH12 ARG 37 HH12 ARG 37 6.374 -18.311 2.828 309 HH21 ARG 37 HH21 ARG 37 4.922 -15.300 1.660 310 HH22 ARG 37 HH22 ARG 37 4.788 -16.988 1.689 311 H ASP 38 HN ASP 38 8.135 -11.171 4.723 312 HA ASP 38 HA ASP 38 8.613 -10.348 2.031 313 HB2 ASP 38 HB2 ASP 38 6.212 -10.231 3.844 314 HB3 ASP 38 HB1 ASP 38 6.170 -9.448 2.276 315 H GLN 39 HN GLN 39 7.969 -8.726 5.060 316 HA GLN 39 HA GLN 39 8.164 -6.114 4.062 317 HB2 GLN 39 HB2 GLN 39 8.731 -7.118 6.848 318 HB3 GLN 39 HB1 GLN 39 8.452 -5.436 6.409 319 HG2 GLN 39 HG2 GLN 39 6.480 -7.705 6.182 320 HG3 GLN 39 HG1 GLN 39 6.457 -6.368 7.332 321 HE21 GLN 39 HE21 GLN 39 5.681 -4.386 6.696 322 HE22 GLN 39 HE22 GLN 39 4.941 -4.145 5.159 323 H ASP 40 HN ASP 40 10.460 -8.410 5.188 324 HA ASP 40 HA ASP 40 12.805 -6.852 5.370 325 HB2 ASP 40 HB2 ASP 40 12.702 -9.086 6.289 326 HB3 ASP 40 HB1 ASP 40 12.426 -9.763 4.697 327 H ARG 41 HN ARG 41 11.539 -8.854 2.728 328 HA ARG 41 HA ARG 41 13.552 -8.334 0.864 329 HB2 ARG 41 HB2 ARG 41 11.899 -10.160 0.632 330 HB3 ARG 41 HB1 ARG 41 10.635 -8.969 0.376 331 HG2 ARG 41 HG2 ARG 41 11.832 -8.207 -1.632 332 HG3 ARG 41 HG1 ARG 41 12.980 -9.524 -1.417 333 HD2 ARG 41 HD2 ARG 41 11.249 -11.167 -1.633 334 HD3 ARG 41 HD1 ARG 41 10.011 -9.911 -1.672 335 HE ARG 41 HE ARG 41 11.856 -9.542 -3.774 336 HH11 ARG 41 HH11 ARG 41 9.216 -11.693 -2.825 337 HH12 ARG 41 HH12 ARG 41 8.648 -11.955 -4.405 338 HH21 ARG 41 HH21 ARG 41 11.107 -9.924 -5.988 339 HH22 ARG 41 HH22 ARG 41 9.773 -10.947 -6.231 340 H LEU 42 HN LEU 42 10.491 -6.720 1.501 341 HA LEU 42 HA LEU 42 10.619 -4.770 -0.498 342 HB2 LEU 42 HB2 LEU 42 9.354 -4.730 2.243 343 HB3 LEU 42 HB1 LEU 42 9.126 -3.459 1.058 344 HG LEU 42 HG LEU 42 8.380 -6.326 0.471 345 HD11 LEU 42 HD11 LEU 42 7.098 -5.660 2.413 346 HD12 LEU 42 HD12 LEU 42 6.058 -5.641 0.988 347 HD13 LEU 42 HD13 LEU 42 6.692 -4.132 1.647 348 HD21 LEU 42 HD21 LEU 42 6.971 -5.299 -1.204 349 HD22 LEU 42 HD22 LEU 42 8.647 -4.812 -1.434 350 HD23 LEU 42 HD23 LEU 42 7.493 -3.697 -0.704 351 H ARG 43 HN ARG 43 11.762 -4.699 2.846 352 HA ARG 43 HA ARG 43 12.842 -2.137 2.944 353 HB2 ARG 43 HB2 ARG 43 12.544 -3.485 4.937 354 HB3 ARG 43 HB1 ARG 43 13.710 -4.660 4.356 355 HG2 ARG 43 HG2 ARG 43 15.484 -3.025 4.558 356 HG3 ARG 43 HG1 ARG 43 14.324 -1.809 5.089 357 HD2 ARG 43 HD2 ARG 43 15.534 -2.805 6.981 358 HD3 ARG 43 HD1 ARG 43 13.805 -3.114 7.059 359 HE ARG 43 HE ARG 43 15.172 -5.255 5.777 360 HH11 ARG 43 HH11 ARG 43 14.654 -3.849 8.970 361 HH12 ARG 43 HH12 ARG 43 14.722 -5.330 9.810 362 HH21 ARG 43 HH21 ARG 43 15.245 -7.368 6.960 363 HH22 ARG 43 HH22 ARG 43 15.087 -7.326 8.645 364 H ALA 44 HN ALA 44 14.469 -5.171 2.114 365 HA ALA 44 HA ALA 44 17.008 -4.046 1.656 366 HB1 ALA 44 HB1 ALA 44 17.542 -6.145 0.537 367 HB2 ALA 44 HB2 ALA 44 15.827 -6.559 0.495 368 HB3 ALA 44 HB3 ALA 44 16.663 -6.429 2.039 369 H THR 45 HN THR 45 14.322 -4.698 -0.518 370 HA THR 45 HA THR 45 15.723 -3.996 -2.884 371 HB THR 45 HB THR 45 12.715 -4.059 -2.457 372 HG1 THR 45 HG1 THR 45 13.423 -6.038 -1.900 373 HG21 THR 45 HG21 THR 45 13.425 -3.026 -4.597 374 HG22 THR 45 HG22 THR 45 12.633 -4.578 -4.862 375 HG23 THR 45 HG23 THR 45 14.391 -4.458 -4.954 376 H CYS 46 HN CYS 46 14.062 -2.164 -0.457 377 HA CYS 46 HA CYS 46 13.315 0.130 -1.853 378 HB2 CYS 46 HB2 CYS 46 12.679 -0.453 0.504 379 HB3 CYS 46 HB1 CYS 46 14.305 -0.047 0.994 380 HG CYS 46 HG CYS 46 12.080 2.196 -0.352 381 H THR 47 HN THR 47 16.237 -0.385 0.108 382 HA THR 47 HA THR 47 17.576 1.951 -0.546 383 HB THR 47 HB THR 47 18.859 -0.718 0.066 384 HG1 THR 47 HG1 THR 47 18.424 -0.144 2.287 385 HG21 THR 47 HG21 THR 47 20.474 0.685 1.298 386 HG22 THR 47 HG22 THR 47 19.577 2.129 0.836 387 HG23 THR 47 HG23 THR 47 20.392 1.167 -0.396 388 H LEU 48 HN LEU 48 17.169 -0.972 -2.330 389 HA LEU 48 HA LEU 48 19.444 -0.598 -4.085 390 HB2 LEU 48 HB2 LEU 48 17.276 -2.628 -3.927 391 HB3 LEU 48 HB1 LEU 48 18.497 -2.623 -5.172 392 HG LEU 48 HG LEU 48 18.979 -2.918 -2.190 393 HD11 LEU 48 HD11 LEU 48 19.585 -5.219 -2.710 394 HD12 LEU 48 HD12 LEU 48 19.152 -4.955 -4.399 395 HD13 LEU 48 HD13 LEU 48 17.914 -4.878 -3.147 396 HD21 LEU 48 HD21 LEU 48 20.922 -3.092 -4.500 397 HD22 LEU 48 HD22 LEU 48 21.290 -3.474 -2.821 398 HD23 LEU 48 HD23 LEU 48 20.873 -1.827 -3.273 399 H SER 49 HN SER 49 16.077 0.073 -4.179 400 HA SER 49 HA SER 49 16.359 0.762 -7.045 401 HB2 SER 49 HB2 SER 49 13.984 0.192 -7.332 402 HB3 SER 49 HB1 SER 49 14.988 -1.155 -6.786 403 HG SER 49 HG SER 49 14.232 -0.872 -4.700 404 H GLY 50 HN GLY 50 16.398 2.278 -4.372 405 HA2 GLY 50 HA2 GLY 50 16.157 4.607 -4.041 406 HA3 GLY 50 HA1 GLY 50 15.086 4.665 -5.439 407 H ASN 51 HN ASN 51 12.934 4.083 -5.210 408 HA ASN 51 HA ASN 51 11.862 2.836 -2.928 409 HB2 ASN 51 HB2 ASN 51 12.264 5.318 -2.144 410 HB3 ASN 51 HB1 ASN 51 10.819 5.594 -3.106 411 HD21 ASN 51 HD21 ASN 51 9.580 6.077 -1.211 412 HD22 ASN 51 HD22 ASN 51 9.161 4.795 -0.166 413 H ARG 52 HN ARG 52 11.359 4.921 -5.643 414 HA ARG 52 HA ARG 52 8.658 4.753 -6.206 415 HB2 ARG 52 HB2 ARG 52 10.301 5.943 -7.619 416 HB3 ARG 52 HB1 ARG 52 10.881 4.399 -8.224 417 HG2 ARG 52 HG2 ARG 52 8.453 4.026 -8.993 418 HG3 ARG 52 HG1 ARG 52 8.270 5.766 -8.756 419 HD2 ARG 52 HD2 ARG 52 8.851 5.395 -11.044 420 HD3 ARG 52 HD1 ARG 52 10.255 6.093 -10.232 421 HE ARG 52 HE ARG 52 10.013 3.182 -10.646 422 HH11 ARG 52 HH11 ARG 52 11.905 6.160 -11.054 423 HH12 ARG 52 HH12 ARG 52 13.258 5.328 -11.678 424 HH21 ARG 52 HH21 ARG 52 11.859 2.115 -11.532 425 HH22 ARG 52 HH22 ARG 52 13.234 3.009 -11.975 426 H ASP 53 HN ASP 53 11.125 2.433 -7.186 427 HA ASP 53 HA ASP 53 9.335 0.572 -8.375 428 HB2 ASP 53 HB2 ASP 53 11.797 0.823 -8.868 429 HB3 ASP 53 HB1 ASP 53 12.078 0.070 -7.299 430 H THR 54 HN THR 54 10.736 1.009 -5.221 431 HA THR 54 HA THR 54 10.111 -1.448 -4.063 432 HB THR 54 HB THR 54 10.204 1.232 -2.682 433 HG1 THR 54 HG1 THR 54 12.149 -0.085 -4.088 434 HG21 THR 54 HG21 THR 54 10.923 -1.557 -1.743 435 HG22 THR 54 HG22 THR 54 9.444 -0.694 -1.326 436 HG23 THR 54 HG23 THR 54 11.002 -0.081 -0.777 437 H LEU 55 HN LEU 55 8.295 1.645 -4.167 438 HA LEU 55 HA LEU 55 6.014 0.816 -2.835 439 HB2 LEU 55 HB2 LEU 55 6.329 2.803 -5.041 440 HB3 LEU 55 HB1 LEU 55 4.734 2.359 -4.503 441 HG LEU 55 HG LEU 55 5.631 3.076 -2.156 442 HD11 LEU 55 HD11 LEU 55 7.458 4.592 -3.988 443 HD12 LEU 55 HD12 LEU 55 7.931 3.487 -2.684 444 HD13 LEU 55 HD13 LEU 55 7.096 5.008 -2.324 445 HD21 LEU 55 HD21 LEU 55 4.870 5.307 -2.596 446 HD22 LEU 55 HD22 LEU 55 3.805 4.086 -3.306 447 HD23 LEU 55 HD23 LEU 55 4.938 4.991 -4.325 448 H TRP 56 HN TRP 56 6.756 0.389 -6.266 449 HA TRP 56 HA TRP 56 4.216 -0.744 -6.877 450 HB2 TRP 56 HB2 TRP 56 5.742 0.205 -8.618 451 HB3 TRP 56 HB1 TRP 56 6.817 -1.170 -8.381 452 HD1 TRP 56 HD1 TRP 56 6.430 -3.094 -10.027 453 HE1 TRP 56 HE1 TRP 56 4.484 -3.878 -11.524 454 HE3 TRP 56 HE3 TRP 56 2.858 0.280 -8.586 455 HZ2 TRP 56 HZ2 TRP 56 1.803 -3.180 -12.018 456 HZ3 TRP 56 HZ3 TRP 56 0.627 0.145 -9.616 457 HH2 TRP 56 HH2 TRP 56 0.115 -1.546 -11.300 458 H HIS 57 HN HIS 57 7.304 -2.077 -6.010 459 HA HIS 57 HA HIS 57 6.598 -4.801 -6.083 460 HB2 HIS 57 HB2 HIS 57 8.910 -4.035 -6.082 461 HB3 HIS 57 HB1 HIS 57 8.690 -3.268 -4.520 462 HD1 HIS 57 HD1 HIS 57 10.001 -4.540 -2.889 463 HD2 HIS 57 HD2 HIS 57 8.126 -7.025 -5.620 464 HE1 HIS 57 HE1 HIS 57 10.542 -6.883 -2.177 465 H LEU 58 HN LEU 58 6.362 -2.320 -3.639 466 HA LEU 58 HA LEU 58 5.491 -3.774 -1.410 467 HB2 LEU 58 HB2 LEU 58 6.260 -1.421 -1.437 468 HB3 LEU 58 HB1 LEU 58 4.820 -0.977 -2.297 469 HG LEU 58 HG LEU 58 3.507 -1.707 -0.257 470 HD11 LEU 58 HD11 LEU 58 6.253 -1.726 0.972 471 HD12 LEU 58 HD12 LEU 58 5.163 -3.103 0.783 472 HD13 LEU 58 HD13 LEU 58 4.730 -1.777 1.861 473 HD21 LEU 58 HD21 LEU 58 3.896 0.628 -0.772 474 HD22 LEU 58 HD22 LEU 58 5.472 0.559 0.018 475 HD23 LEU 58 HD23 LEU 58 4.003 0.361 0.970 476 H PHE 59 HN PHE 59 3.572 -1.915 -3.764 477 HA PHE 59 HA PHE 59 1.065 -2.791 -2.883 478 HB2 PHE 59 HB2 PHE 59 1.905 -1.808 -5.615 479 HB3 PHE 59 HB1 PHE 59 0.242 -2.207 -5.212 480 HD1 PHE 59 HD2 PHE 59 -0.570 -1.031 -2.941 481 HD2 PHE 59 HD1 PHE 59 2.488 0.424 -5.518 482 HE1 PHE 59 HE2 PHE 59 -0.928 1.241 -2.079 483 HE2 PHE 59 HE1 PHE 59 2.122 2.716 -4.649 484 HZ PHE 59 HZ PHE 59 0.422 3.112 -2.936 485 H ASN 60 HN ASN 60 3.296 -4.311 -5.070 486 HA ASN 60 HA ASN 60 1.553 -6.325 -6.053 487 HB2 ASN 60 HB2 ASN 60 3.772 -5.657 -7.055 488 HB3 ASN 60 HB1 ASN 60 4.557 -6.486 -5.722 489 HD21 ASN 60 HD21 ASN 60 4.771 -6.961 -8.513 490 HD22 ASN 60 HD22 ASN 60 4.291 -8.592 -8.812 491 H THR 61 HN THR 61 3.885 -6.249 -3.387 492 HA THR 61 HA THR 61 3.397 -8.917 -2.557 493 HB THR 61 HB THR 61 4.597 -6.621 -0.973 494 HG1 THR 61 HG1 THR 61 5.832 -6.789 -2.791 495 HG21 THR 61 HG21 THR 61 4.985 -9.620 -0.771 496 HG22 THR 61 HG22 THR 61 4.066 -8.635 0.362 497 HG23 THR 61 HG23 THR 61 5.811 -8.404 0.208 498 H LEU 62 HN LEU 62 2.200 -5.750 -1.468 499 HA LEU 62 HA LEU 62 0.698 -6.522 0.710 500 HB2 LEU 62 HB2 LEU 62 0.718 -4.216 -1.131 501 HB3 LEU 62 HB1 LEU 62 -0.708 -4.428 -0.145 502 HG LEU 62 HG LEU 62 0.570 -4.217 1.872 503 HD11 LEU 62 HD11 LEU 62 2.630 -5.330 1.225 504 HD12 LEU 62 HD12 LEU 62 2.953 -3.739 1.905 505 HD13 LEU 62 HD13 LEU 62 3.025 -3.984 0.158 506 HD21 LEU 62 HD21 LEU 62 1.288 -2.092 -0.127 507 HD22 LEU 62 HD22 LEU 62 1.392 -1.915 1.624 508 HD23 LEU 62 HD23 LEU 62 -0.176 -2.163 0.853 509 H GLN 63 HN GLN 63 -0.254 -6.441 -2.705 510 HA GLN 63 HA GLN 63 -3.003 -6.984 -2.158 511 HB2 GLN 63 HB2 GLN 63 -3.265 -7.340 -4.555 512 HB3 GLN 63 HB1 GLN 63 -2.317 -5.892 -4.256 513 HG2 GLN 63 HG2 GLN 63 -0.272 -7.200 -4.690 514 HG3 GLN 63 HG1 GLN 63 -1.263 -8.592 -5.093 515 HE21 GLN 63 HE21 GLN 63 -0.192 -5.488 -6.021 516 HE22 GLN 63 HE22 GLN 63 -0.704 -5.515 -7.669 517 H ARG 64 HN ARG 64 -0.468 -8.955 -1.654 518 HA ARG 64 HA ARG 64 -1.871 -11.407 -2.421 519 HB2 ARG 64 HB2 ARG 64 0.874 -11.047 -1.197 520 HB3 ARG 64 HB1 ARG 64 0.196 -12.564 -1.758 521 HG2 ARG 64 HG2 ARG 64 0.847 -10.184 -3.500 522 HG3 ARG 64 HG1 ARG 64 1.850 -11.613 -3.343 523 HD2 ARG 64 HD2 ARG 64 0.606 -11.807 -5.383 524 HD3 ARG 64 HD1 ARG 64 -0.080 -12.955 -4.238 525 HE ARG 64 HE ARG 64 -1.536 -10.627 -3.994 526 HH11 ARG 64 HH11 ARG 64 -0.973 -13.017 -6.522 527 HH12 ARG 64 HH12 ARG 64 -2.478 -12.769 -7.278 528 HH21 ARG 64 HH21 ARG 64 -3.568 -10.298 -4.984 529 HH22 ARG 64 HH22 ARG 64 -4.016 -11.184 -6.370 530 H ARG 65 HN ARG 65 -1.698 -9.249 0.065 531 HA ARG 65 HA ARG 65 -2.570 -11.255 2.009 532 HB2 ARG 65 HB2 ARG 65 -1.301 -8.557 2.585 533 HB3 ARG 65 HB1 ARG 65 -1.713 -9.792 3.763 534 HG2 ARG 65 HG2 ARG 65 0.415 -10.043 1.630 535 HG3 ARG 65 HG1 ARG 65 0.687 -9.738 3.338 536 HD2 ARG 65 HD2 ARG 65 -0.212 -11.903 3.912 537 HD3 ARG 65 HD1 ARG 65 -0.587 -12.221 2.211 538 HE ARG 65 HE ARG 65 1.997 -11.737 2.060 539 HH11 ARG 65 HH11 ARG 65 0.253 -13.872 4.287 540 HH12 ARG 65 HH12 ARG 65 1.600 -14.866 4.578 541 HH21 ARG 65 HH21 ARG 65 3.836 -13.108 2.502 542 HH22 ARG 65 HH22 ARG 65 3.641 -14.406 3.603 543 HA PRO 66 HA PRO 66 -6.287 -9.320 0.860 544 HB2 PRO 66 HB2 PRO 66 -7.993 -10.528 2.535 545 HB3 PRO 66 HB1 PRO 66 -7.171 -11.375 1.215 546 HG2 PRO 66 HG2 PRO 66 -6.442 -11.256 4.124 547 HG3 PRO 66 HG1 PRO 66 -6.548 -12.674 3.061 548 HD2 PRO 66 HD2 PRO 66 -4.195 -11.494 3.620 549 HD3 PRO 66 HD1 PRO 66 -4.546 -12.220 2.034 550 H GLY 67 HN GLY 67 -4.820 -7.955 3.329 551 HA2 GLY 67 HA2 GLY 67 -7.110 -6.223 3.878 552 HA3 GLY 67 HA1 GLY 67 -6.499 -7.110 5.265 553 H TRP 68 HN TRP 68 -4.675 -5.702 2.633 554 HA TRP 68 HA TRP 68 -2.789 -4.588 4.417 555 HB2 TRP 68 HB2 TRP 68 -1.698 -3.691 2.366 556 HB3 TRP 68 HB1 TRP 68 -2.015 -5.417 2.317 557 HD1 TRP 68 HD1 TRP 68 -4.023 -6.224 0.624 558 HE1 TRP 68 HE1 TRP 68 -4.900 -5.166 -1.546 559 HE3 TRP 68 HE3 TRP 68 -2.146 -1.483 1.180 560 HZ2 TRP 68 HZ2 TRP 68 -4.815 -2.687 -2.853 561 HZ3 TRP 68 HZ3 TRP 68 -2.600 0.169 -0.594 562 HH2 TRP 68 HH2 TRP 68 -3.902 -0.422 -2.564 563 H VAL 69 HN VAL 69 -5.404 -3.132 2.581 564 HA VAL 69 HA VAL 69 -4.601 -0.514 2.412 565 HB VAL 69 HB VAL 69 -7.452 -1.492 2.681 566 HG11 VAL 69 HG11 VAL 69 -6.443 1.188 1.697 567 HG12 VAL 69 HG12 VAL 69 -7.340 0.911 3.189 568 HG13 VAL 69 HG13 VAL 69 -8.116 0.629 1.628 569 HG21 VAL 69 HG21 VAL 69 -6.238 -2.413 0.792 570 HG22 VAL 69 HG22 VAL 69 -5.759 -0.792 0.296 571 HG23 VAL 69 HG23 VAL 69 -7.457 -1.259 0.246 572 H GLU 70 HN GLU 70 -6.412 -1.823 5.172 573 HA GLU 70 HA GLU 70 -6.776 0.727 6.320 574 HB2 GLU 70 HB2 GLU 70 -7.541 -0.448 8.330 575 HB3 GLU 70 HB1 GLU 70 -8.245 -1.070 6.845 576 HG2 GLU 70 HG2 GLU 70 -6.696 -2.952 6.897 577 HG3 GLU 70 HG1 GLU 70 -6.039 -2.349 8.419 578 H TYR 71 HN TYR 71 -4.284 -1.706 6.850 579 HA TYR 71 HA TYR 71 -3.016 -0.210 8.925 580 HB2 TYR 71 HB2 TYR 71 -1.978 -2.449 7.193 581 HB3 TYR 71 HB1 TYR 71 -1.238 -1.829 8.663 582 HD1 TYR 71 HD2 TYR 71 -2.704 -1.952 10.818 583 HD2 TYR 71 HD1 TYR 71 -3.424 -4.227 7.313 584 HE1 TYR 71 HE2 TYR 71 -4.004 -3.558 12.147 585 HE2 TYR 71 HE1 TYR 71 -4.732 -5.851 8.629 586 HH TYR 71 HH TYR 71 -5.885 -5.200 11.631 587 H PHE 72 HN PHE 72 -2.857 -0.443 5.494 588 HA PHE 72 HA PHE 72 -0.434 0.885 5.081 589 HB2 PHE 72 HB2 PHE 72 -1.671 -0.459 3.374 590 HB3 PHE 72 HB1 PHE 72 -2.872 0.817 3.285 591 HD1 PHE 72 HD1 PHE 72 0.837 0.443 3.038 592 HD2 PHE 72 HD2 PHE 72 -2.696 2.242 1.493 593 HE1 PHE 72 HE1 PHE 72 2.158 1.490 1.249 594 HE2 PHE 72 HE2 PHE 72 -1.376 3.299 -0.296 595 HZ PHE 72 HZ PHE 72 1.052 2.919 -0.420 596 H ILE 73 HN ILE 73 -3.720 2.049 5.592 597 HA ILE 73 HA ILE 73 -3.385 4.778 5.042 598 HB ILE 73 HB ILE 73 -5.049 3.591 7.295 599 HG12 ILE 73 HG12 ILE 73 -5.693 2.616 5.138 600 HG13 ILE 73 HG11 ILE 73 -6.953 3.685 5.732 601 HG21 ILE 73 HG21 ILE 73 -5.272 6.272 5.942 602 HG22 ILE 73 HG22 ILE 73 -4.753 5.974 7.600 603 HG23 ILE 73 HG23 ILE 73 -6.419 5.635 7.124 604 HD11 ILE 73 HD11 ILE 73 -4.940 4.320 3.590 605 HD12 ILE 73 HD12 ILE 73 -6.172 5.426 4.192 606 HD13 ILE 73 HD13 ILE 73 -6.647 3.950 3.353 607 H ALA 74 HN ALA 74 -2.691 2.957 7.968 608 HA ALA 74 HA ALA 74 -1.823 5.255 9.461 609 HB1 ALA 74 HB1 ALA 74 -2.920 3.366 10.554 610 HB2 ALA 74 HB2 ALA 74 -1.314 3.666 11.224 611 HB3 ALA 74 HB3 ALA 74 -1.570 2.326 10.104 612 H ALA 75 HN ALA 75 -0.429 3.322 7.153 613 HA ALA 75 HA ALA 75 2.255 3.450 8.151 614 HB1 ALA 75 HB1 ALA 75 1.270 2.728 5.409 615 HB2 ALA 75 HB2 ALA 75 1.473 1.606 6.753 616 HB3 ALA 75 HB3 ALA 75 2.876 2.433 6.078 617 H LEU 76 HN LEU 76 0.473 5.064 5.426 618 HA LEU 76 HA LEU 76 2.522 6.828 4.738 619 HB2 LEU 76 HB2 LEU 76 -0.472 7.041 4.587 620 HB3 LEU 76 HB1 LEU 76 0.596 8.256 3.935 621 HG LEU 76 HG LEU 76 -0.320 6.893 2.242 622 HD11 LEU 76 HD11 LEU 76 1.936 7.707 1.866 623 HD12 LEU 76 HD12 LEU 76 1.698 6.148 1.080 624 HD13 LEU 76 HD13 LEU 76 2.584 6.242 2.605 625 HD21 LEU 76 HD21 LEU 76 -0.769 4.860 3.386 626 HD22 LEU 76 HD22 LEU 76 0.958 4.533 3.551 627 HD23 LEU 76 HD23 LEU 76 0.205 4.526 1.956 628 H ARG 77 HN ARG 77 -0.072 6.981 7.071 629 HA ARG 77 HA ARG 77 0.464 9.652 7.899 630 HB2 ARG 77 HB2 ARG 77 -1.729 8.472 8.049 631 HB3 ARG 77 HB1 ARG 77 -1.062 7.472 9.313 632 HG2 ARG 77 HG2 ARG 77 -0.879 9.305 10.812 633 HG3 ARG 77 HG1 ARG 77 -1.245 10.462 9.529 634 HD2 ARG 77 HD2 ARG 77 -3.185 10.052 10.987 635 HD3 ARG 77 HD1 ARG 77 -3.482 9.579 9.314 636 HE ARG 77 HE ARG 77 -2.588 7.506 11.124 637 HH11 ARG 77 HH11 ARG 77 -5.353 8.981 9.434 638 HH12 ARG 77 HH12 ARG 77 -6.426 7.712 9.771 639 HH21 ARG 77 HH21 ARG 77 -4.129 5.751 11.605 640 HH22 ARG 77 HH22 ARG 77 -5.718 5.835 11.020 641 H GLY 78 HN GLY 78 1.663 6.535 8.715 642 HA2 GLY 78 HA2 GLY 78 2.812 7.077 11.249 643 HA3 GLY 78 HA1 GLY 78 3.256 5.768 10.167 644 H CYS 79 HN CYS 79 3.915 7.564 7.965 645 HA CYS 79 HA CYS 79 6.483 8.484 8.956 646 HB2 CYS 79 HB2 CYS 79 6.937 8.780 6.416 647 HB3 CYS 79 HB1 CYS 79 6.863 7.147 7.055 648 HG CYS 79 HG CYS 79 4.407 6.548 6.056 649 H GLU 80 HN GLU 80 3.836 9.761 9.294 650 HA GLU 80 HA GLU 80 3.001 11.760 9.647 651 HB2 GLU 80 HB2 GLU 80 5.781 12.764 9.044 652 HB3 GLU 80 HB1 GLU 80 4.493 13.754 9.712 653 HG2 GLU 80 HG2 GLU 80 5.777 11.351 10.998 654 HG3 GLU 80 HG1 GLU 80 5.957 13.037 11.483 655 H LEU 81 HN LEU 81 3.534 10.742 6.716 656 HA LEU 81 HA LEU 81 2.922 13.212 5.343 657 HB2 LEU 81 HB2 LEU 81 3.305 10.402 4.272 658 HB3 LEU 81 HB1 LEU 81 3.071 11.833 3.285 659 HG LEU 81 HG LEU 81 5.428 11.402 5.133 660 HD11 LEU 81 HD11 LEU 81 5.522 9.838 3.288 661 HD12 LEU 81 HD12 LEU 81 6.747 11.089 3.106 662 HD13 LEU 81 HD13 LEU 81 5.278 11.150 2.135 663 HD21 LEU 81 HD21 LEU 81 4.929 13.753 4.820 664 HD22 LEU 81 HD22 LEU 81 4.865 13.530 3.072 665 HD23 LEU 81 HD23 LEU 81 6.391 13.325 3.932 666 H VAL 82 HN VAL 82 1.025 13.638 6.302 667 HA VAL 82 HA VAL 82 -1.103 11.822 6.615 668 HB VAL 82 HB VAL 82 -1.157 14.850 6.709 669 HG11 VAL 82 HG11 VAL 82 -3.133 12.845 7.796 670 HG12 VAL 82 HG12 VAL 82 -3.402 13.932 6.437 671 HG13 VAL 82 HG13 VAL 82 -3.191 14.587 8.061 672 HG21 VAL 82 HG21 VAL 82 0.419 13.910 8.305 673 HG22 VAL 82 HG22 VAL 82 -0.827 12.823 8.919 674 HG23 VAL 82 HG23 VAL 82 -0.990 14.564 9.142 675 H ASP 83 HN ASP 83 -0.378 14.245 4.205 676 HA ASP 83 HA ASP 83 -2.833 14.187 2.847 677 HB2 ASP 83 HB2 ASP 83 -0.084 14.820 1.785 678 HB3 ASP 83 HB1 ASP 83 -1.534 14.955 0.805 679 H LEU 84 HN LEU 84 0.003 12.176 2.462 680 HA LEU 84 HA LEU 84 -1.024 10.761 0.230 681 HB2 LEU 84 HB2 LEU 84 1.134 10.035 2.195 682 HB3 LEU 84 HB1 LEU 84 0.760 9.103 0.762 683 HG LEU 84 HG LEU 84 1.723 11.973 0.740 684 HD11 LEU 84 HD11 LEU 84 3.424 10.414 1.538 685 HD12 LEU 84 HD12 LEU 84 3.816 11.051 -0.061 686 HD13 LEU 84 HD13 LEU 84 3.178 9.417 0.106 687 HD21 LEU 84 HD21 LEU 84 0.341 11.350 -1.217 688 HD22 LEU 84 HD22 LEU 84 1.429 9.975 -1.481 689 HD23 LEU 84 HD23 LEU 84 2.039 11.612 -1.638 690 H ALA 85 HN ALA 85 -1.225 10.254 3.699 691 HA ALA 85 HA ALA 85 -2.461 7.692 3.577 692 HB1 ALA 85 HB1 ALA 85 -1.477 8.581 5.679 693 HB2 ALA 85 HB2 ALA 85 -3.159 8.134 5.907 694 HB3 ALA 85 HB3 ALA 85 -2.720 9.828 5.724 695 H ASP 86 HN ASP 86 -3.561 10.974 3.585 696 HA ASP 86 HA ASP 86 -6.325 10.578 3.731 697 HB2 ASP 86 HB2 ASP 86 -5.251 12.722 4.179 698 HB3 ASP 86 HB1 ASP 86 -4.747 12.830 2.500 699 H GLU 87 HN GLU 87 -4.102 10.801 0.953 700 HA GLU 87 HA GLU 87 -5.858 10.832 -1.123 701 HB2 GLU 87 HB2 GLU 87 -3.193 9.518 -0.762 702 HB3 GLU 87 HB1 GLU 87 -4.010 9.606 -2.305 703 HG2 GLU 87 HG2 GLU 87 -3.189 11.967 -0.638 704 HG3 GLU 87 HG1 GLU 87 -2.291 11.333 -2.017 705 H VAL 88 HN VAL 88 -4.523 8.027 0.583 706 HA VAL 88 HA VAL 88 -6.010 6.142 -0.977 707 HB VAL 88 HB VAL 88 -4.693 5.646 1.706 708 HG11 VAL 88 HG11 VAL 88 -4.509 3.324 0.938 709 HG12 VAL 88 HG12 VAL 88 -5.338 3.756 -0.557 710 HG13 VAL 88 HG13 VAL 88 -6.189 3.858 0.982 711 HG21 VAL 88 HG21 VAL 88 -3.059 6.632 0.191 712 HG22 VAL 88 HG22 VAL 88 -3.458 5.427 -1.037 713 HG23 VAL 88 HG23 VAL 88 -2.701 4.928 0.473 714 H ALA 89 HN ALA 89 -6.384 7.632 2.202 715 HA ALA 89 HA ALA 89 -8.551 6.123 3.121 716 HB1 ALA 89 HB1 ALA 89 -7.216 7.594 4.571 717 HB2 ALA 89 HB2 ALA 89 -8.942 7.934 4.703 718 HB3 ALA 89 HB3 ALA 89 -7.904 9.000 3.760 719 H SER 90 HN SER 90 -8.433 9.041 1.153 720 HA SER 90 HA SER 90 -11.146 9.657 1.072 721 HB2 SER 90 HB2 SER 90 -9.281 11.107 0.274 722 HB3 SER 90 HB1 SER 90 -9.051 10.028 -1.092 723 HG SER 90 HG SER 90 -10.611 12.087 -0.912 724 H VAL 91 HN VAL 91 -9.219 7.394 -0.801 725 HA VAL 91 HA VAL 91 -11.204 6.711 -2.716 726 HB VAL 91 HB VAL 91 -8.897 5.006 -1.755 727 HG11 VAL 91 HG11 VAL 91 -10.455 3.740 -3.071 728 HG12 VAL 91 HG12 VAL 91 -8.994 4.036 -4.020 729 HG13 VAL 91 HG13 VAL 91 -10.453 4.979 -4.325 730 HG21 VAL 91 HG21 VAL 91 -7.626 5.956 -3.631 731 HG22 VAL 91 HG22 VAL 91 -8.055 7.162 -2.416 732 HG23 VAL 91 HG23 VAL 91 -8.952 7.078 -3.934 733 H TYR 92 HN TYR 92 -10.012 5.053 0.190 734 HA TYR 92 HA TYR 92 -11.924 2.972 0.022 735 HB2 TYR 92 HB2 TYR 92 -9.647 2.909 1.183 736 HB3 TYR 92 HB1 TYR 92 -10.407 3.771 2.511 737 HD1 TYR 92 HD1 TYR 92 -10.724 0.678 0.468 738 HD2 TYR 92 HD2 TYR 92 -11.454 2.536 4.218 739 HE1 TYR 92 HE1 TYR 92 -11.428 -1.494 1.385 740 HE2 TYR 92 HE2 TYR 92 -12.175 0.360 5.155 741 HH TYR 92 HH TYR 92 -11.781 -2.625 3.332 742 H GLN 93 HN GLN 93 -12.106 6.152 1.214 743 HA GLN 93 HA GLN 93 -14.239 5.739 3.041 744 HB2 GLN 93 HB2 GLN 93 -12.697 7.766 2.872 745 HB3 GLN 93 HB1 GLN 93 -13.707 8.299 1.540 746 HG2 GLN 93 HG2 GLN 93 -15.617 8.450 2.984 747 HG3 GLN 93 HG1 GLN 93 -14.711 7.746 4.319 748 HE21 GLN 93 HE21 GLN 93 -13.472 10.135 2.057 749 HE22 GLN 93 HE22 GLN 93 -13.292 11.403 3.191 750 H SER 94 HN SER 94 -14.060 5.922 -0.385 751 HA SER 94 HA SER 94 -16.955 6.121 -0.555 752 HB2 SER 94 HB2 SER 94 -16.603 6.228 -3.051 753 HB3 SER 94 HB1 SER 94 -15.856 7.547 -2.163 754 HG SER 94 HG SER 94 -13.971 5.721 -2.330 755 H TYR 95 HN TYR 95 -14.395 3.825 -0.774 756 HA TYR 95 HA TYR 95 -16.321 1.700 -1.490 757 HB2 TYR 95 HB2 TYR 95 -13.272 1.492 -1.579 758 HB3 TYR 95 HB1 TYR 95 -14.466 0.344 -2.122 759 HD1 TYR 95 HD1 TYR 95 -15.866 0.828 -4.127 760 HD2 TYR 95 HD2 TYR 95 -12.501 3.195 -3.072 761 HE1 TYR 95 HE1 TYR 95 -15.750 1.673 -6.431 762 HE2 TYR 95 HE2 TYR 95 -12.371 4.050 -5.379 763 HH TYR 95 HH TYR 95 -13.046 3.381 -7.618 764 H GLN 96 HN GLN 96 -17.224 1.698 0.480 765 HA GLN 96 HA GLN 96 -17.629 0.953 2.540 766 HB2 GLN 96 HB2 GLN 96 -14.981 -0.486 2.313 767 HB3 GLN 96 HB1 GLN 96 -16.059 -0.635 3.692 768 HG2 GLN 96 HG2 GLN 96 -17.790 -1.547 2.232 769 HG3 GLN 96 HG1 GLN 96 -16.705 -1.396 0.853 770 HE21 GLN 96 HE21 GLN 96 -15.610 -2.354 4.005 771 HE22 GLN 96 HE22 GLN 96 -15.241 -3.987 3.624 772 HA PRO 97 HA PRO 97 -15.311 4.525 4.281 773 HB2 PRO 97 HB2 PRO 97 -17.410 5.668 5.479 774 HB3 PRO 97 HB1 PRO 97 -17.219 5.771 3.718 775 HG2 PRO 97 HG2 PRO 97 -18.795 3.773 5.304 776 HG3 PRO 97 HG1 PRO 97 -19.430 4.802 4.029 777 HD2 PRO 97 HD2 PRO 97 -18.720 2.318 3.493 778 HD3 PRO 97 HD1 PRO 97 -18.222 3.576 2.353 779 H ARG 98 HN ARG 98 -17.197 2.048 5.589 780 HA ARG 98 HA ARG 98 -16.188 2.507 8.297 781 HB2 ARG 98 HB2 ARG 98 -18.447 0.729 7.342 782 HB3 ARG 98 HB1 ARG 98 -17.962 0.981 9.007 783 HG2 ARG 98 HG2 ARG 98 -19.106 3.131 7.203 784 HG3 ARG 98 HG1 ARG 98 -20.037 2.191 8.362 785 HD2 ARG 98 HD2 ARG 98 -19.557 4.275 9.407 786 HD3 ARG 98 HD1 ARG 98 -18.499 3.089 10.158 787 HE ARG 98 HE ARG 98 -17.056 4.219 8.094 788 HH11 ARG 98 HH11 ARG 98 -18.531 5.360 11.113 789 HH12 ARG 98 HH12 ARG 98 -17.457 6.660 11.291 790 HH21 ARG 98 HH21 ARG 98 -15.619 6.033 8.323 791 HH22 ARG 98 HH22 ARG 98 -15.804 7.068 9.657 792 H THR 99 HN THR 99 -14.317 1.458 8.439 793 HA THR 99 HA THR 99 -13.538 -0.617 6.712 794 HB THR 99 HB THR 99 -12.338 0.074 9.407 795 HG1 THR 99 HG1 THR 99 -12.428 1.430 6.963 796 HG21 THR 99 HG21 THR 99 -11.119 -0.948 6.824 797 HG22 THR 99 HG22 THR 99 -11.421 -1.923 8.261 798 HG23 THR 99 HG23 THR 99 -10.240 -0.617 8.317 799 H SER 100 HN SER 100 -14.572 -0.566 10.107 800 HA SER 100 HA SER 100 -15.895 -3.040 9.865 801 HB2 SER 100 HB2 SER 100 -13.477 -2.835 11.708 802 HB3 SER 100 HB1 SER 100 -14.680 -4.124 11.788 803 HG SER 100 HG SER 100 -13.760 -3.761 9.297 Start of MODEL 17 1 H1 GLY -1 HT1 GLY -1 -4.453 -17.154 -3.500 2 H2 GLY -1 HT2 GLY -1 -3.756 -17.015 -5.046 3 H3 GLY -1 HT3 GLY -1 -5.379 -17.467 -4.867 4 HA2 GLY -1 HA1 GLY -1 -4.287 -14.838 -4.130 5 HA3 GLY -1 HA2 GLY -1 -5.236 -15.229 -5.573 6 H SER 0 HN SER 0 -5.713 -13.484 -3.147 7 HA SER 0 HA SER 0 -8.126 -14.677 -2.062 8 HB2 SER 0 HB2 SER 0 -6.812 -12.000 -1.522 9 HB3 SER 0 HB1 SER 0 -8.048 -12.786 -0.551 10 HG SER 0 HG SER 0 -6.629 -14.173 0.214 11 H MET 1 HN MET 1 -9.646 -12.340 -1.772 12 HA MET 1 HA MET 1 -9.868 -11.177 -4.379 13 HB2 MET 1 HB2 MET 1 -12.122 -12.418 -2.883 14 HB3 MET 1 HB1 MET 1 -12.328 -11.255 -4.194 15 HG2 MET 1 HG2 MET 1 -11.028 -12.888 -5.629 16 HG3 MET 1 HG1 MET 1 -11.230 -14.051 -4.324 17 HE1 MET 1 HE1 MET 1 -13.037 -11.870 -7.029 18 HE2 MET 1 HE2 MET 1 -13.863 -11.312 -5.569 19 HE3 MET 1 HE3 MET 1 -14.732 -12.264 -6.767 20 HA PRO 2 HA PRO 2 -10.037 -8.094 -1.019 21 HB2 PRO 2 HB2 PRO 2 -8.609 -6.273 -2.537 22 HB3 PRO 2 HB1 PRO 2 -7.886 -7.451 -1.403 23 HG2 PRO 2 HG2 PRO 2 -8.139 -7.585 -4.377 24 HG3 PRO 2 HG1 PRO 2 -6.770 -8.040 -3.346 25 HD2 PRO 2 HD2 PRO 2 -8.495 -9.890 -4.332 26 HD3 PRO 2 HD1 PRO 2 -7.759 -10.090 -2.762 27 H PHE 3 HN PHE 3 -11.527 -6.407 -1.057 28 HA PHE 3 HA PHE 3 -12.963 -6.246 -3.616 29 HB2 PHE 3 HB2 PHE 3 -14.252 -7.175 -1.696 30 HB3 PHE 3 HB1 PHE 3 -14.044 -5.634 -0.872 31 HD1 PHE 3 HD1 PHE 3 -15.698 -7.356 -3.654 32 HD2 PHE 3 HD2 PHE 3 -15.366 -3.707 -1.495 33 HE1 PHE 3 HE1 PHE 3 -17.744 -6.530 -4.739 34 HE2 PHE 3 HE2 PHE 3 -17.402 -2.874 -2.573 35 HZ PHE 3 HZ PHE 3 -18.599 -4.283 -4.203 36 H ALA 4 HN ALA 4 -12.663 -4.122 -0.779 37 HA ALA 4 HA ALA 4 -12.918 -1.830 -2.509 38 HB1 ALA 4 HB1 ALA 4 -14.003 -1.633 -0.425 39 HB2 ALA 4 HB2 ALA 4 -12.595 -0.601 -0.326 40 HB3 ALA 4 HB3 ALA 4 -12.576 -2.190 0.458 41 H GLU 5 HN GLU 5 -10.590 -3.547 -0.701 42 HA GLU 5 HA GLU 5 -8.321 -1.944 -0.893 43 HB2 GLU 5 HB2 GLU 5 -8.183 -4.945 -1.185 44 HB3 GLU 5 HB1 GLU 5 -7.044 -3.882 -0.395 45 HG2 GLU 5 HG2 GLU 5 -8.052 -5.040 1.361 46 HG3 GLU 5 HG1 GLU 5 -8.902 -3.500 1.342 47 H ASP 6 HN ASP 6 -9.847 -4.129 -3.101 48 HA ASP 6 HA ASP 6 -7.881 -4.228 -5.142 49 HB2 ASP 6 HB2 ASP 6 -9.492 -5.961 -5.083 50 HB3 ASP 6 HB1 ASP 6 -10.824 -4.824 -5.037 51 H LYS 7 HN LYS 7 -10.615 -2.151 -4.493 52 HA LYS 7 HA LYS 7 -10.568 -0.895 -7.066 53 HB2 LYS 7 HB2 LYS 7 -11.839 0.278 -4.594 54 HB3 LYS 7 HB1 LYS 7 -12.280 0.556 -6.272 55 HG2 LYS 7 HG2 LYS 7 -12.717 -1.927 -4.641 56 HG3 LYS 7 HG1 LYS 7 -13.941 -0.846 -5.304 57 HD2 LYS 7 HD2 LYS 7 -13.397 -1.539 -7.542 58 HD3 LYS 7 HD1 LYS 7 -12.017 -2.471 -6.960 59 HE2 LYS 7 HE2 LYS 7 -13.639 -3.796 -5.590 60 HE3 LYS 7 HE1 LYS 7 -14.930 -2.995 -6.487 61 HZ1 LYS 7 HZ1 LYS 7 -13.982 -3.926 -8.546 62 HZ2 LYS 7 HZ2 LYS 7 -14.265 -5.181 -7.448 63 HZ3 LYS 7 HZ3 LYS 7 -12.713 -4.571 -7.646 64 H THR 8 HN THR 8 -9.472 0.000 -3.825 65 HA THR 8 HA THR 8 -8.456 2.460 -4.727 66 HB THR 8 HB THR 8 -9.039 2.093 -2.321 67 HG1 THR 8 HG1 THR 8 -6.545 3.065 -3.139 68 HG21 THR 8 HG21 THR 8 -7.446 0.951 -0.841 69 HG22 THR 8 HG22 THR 8 -6.470 0.499 -2.236 70 HG23 THR 8 HG23 THR 8 -8.094 -0.165 -2.048 71 H TYR 9 HN TYR 9 -7.157 -0.780 -4.657 72 HA TYR 9 HA TYR 9 -4.466 -0.210 -5.070 73 HB2 TYR 9 HB2 TYR 9 -5.092 -2.499 -4.709 74 HB3 TYR 9 HB1 TYR 9 -6.185 -2.482 -6.083 75 HD1 TYR 9 HD2 TYR 9 -2.572 -2.287 -5.186 76 HD2 TYR 9 HD1 TYR 9 -5.446 -3.133 -8.207 77 HE1 TYR 9 HE2 TYR 9 -0.789 -3.148 -6.656 78 HE2 TYR 9 HE1 TYR 9 -3.677 -3.990 -9.671 79 HH TYR 9 HH TYR 9 -1.236 -3.728 -9.942 80 H LYS 10 HN LYS 10 -7.052 -0.635 -7.449 81 HA LYS 10 HA LYS 10 -5.476 -0.136 -9.750 82 HB2 LYS 10 HB2 LYS 10 -8.420 0.466 -9.464 83 HB3 LYS 10 HB1 LYS 10 -7.551 0.076 -10.938 84 HG2 LYS 10 HG2 LYS 10 -7.173 -2.197 -10.100 85 HG3 LYS 10 HG1 LYS 10 -8.082 -1.795 -8.643 86 HD2 LYS 10 HD2 LYS 10 -9.964 -1.120 -10.253 87 HD3 LYS 10 HD1 LYS 10 -9.038 -2.019 -11.460 88 HE2 LYS 10 HE2 LYS 10 -10.061 -3.120 -8.841 89 HE3 LYS 10 HE1 LYS 10 -10.795 -3.387 -10.415 90 HZ1 LYS 10 HZ1 LYS 10 -7.991 -4.206 -9.881 91 HZ2 LYS 10 HZ2 LYS 10 -9.097 -4.844 -11.027 92 HZ3 LYS 10 HZ3 LYS 10 -9.296 -5.103 -9.377 93 H TYR 11 HN TYR 11 -7.464 1.864 -7.693 94 HA TYR 11 HA TYR 11 -7.452 4.313 -9.006 95 HB2 TYR 11 HB2 TYR 11 -8.739 3.532 -6.889 96 HB3 TYR 11 HB1 TYR 11 -7.288 3.963 -6.039 97 HD1 TYR 11 HD2 TYR 11 -6.570 6.286 -5.813 98 HD2 TYR 11 HD1 TYR 11 -10.203 5.274 -7.763 99 HE1 TYR 11 HE2 TYR 11 -7.322 8.608 -5.596 100 HE2 TYR 11 HE1 TYR 11 -10.971 7.597 -7.548 101 HH TYR 11 HH TYR 11 -10.480 9.496 -5.965 102 H ILE 12 HN ILE 12 -5.187 2.943 -6.679 103 HA ILE 12 HA ILE 12 -3.578 5.341 -6.708 104 HB ILE 12 HB ILE 12 -3.298 2.734 -5.196 105 HG12 ILE 12 HG12 ILE 12 -5.246 4.039 -4.550 106 HG13 ILE 12 HG11 ILE 12 -4.059 4.029 -3.242 107 HG21 ILE 12 HG21 ILE 12 -1.094 3.697 -5.469 108 HG22 ILE 12 HG22 ILE 12 -1.634 3.827 -3.793 109 HG23 ILE 12 HG23 ILE 12 -1.673 5.246 -4.839 110 HD11 ILE 12 HD11 ILE 12 -4.605 6.285 -5.174 111 HD12 ILE 12 HD12 ILE 12 -3.391 6.300 -3.899 112 HD13 ILE 12 HD13 ILE 12 -5.101 6.203 -3.483 113 H CYS 13 HN CYS 13 -3.416 2.129 -8.058 114 HA CYS 13 HA CYS 13 -0.706 2.135 -8.750 115 HB2 CYS 13 HB2 CYS 13 -2.232 0.153 -8.775 116 HB3 CYS 13 HB1 CYS 13 -2.970 0.789 -10.231 117 HG CYS 13 HG CYS 13 -0.188 0.806 -11.376 118 H ARG 14 HN ARG 14 -3.497 3.575 -10.323 119 HA ARG 14 HA ARG 14 -2.210 4.128 -12.786 120 HB2 ARG 14 HB2 ARG 14 -4.069 5.584 -13.245 121 HB3 ARG 14 HB1 ARG 14 -4.677 4.073 -12.557 122 HG2 ARG 14 HG2 ARG 14 -4.851 5.306 -10.394 123 HG3 ARG 14 HG1 ARG 14 -4.407 6.772 -11.263 124 HD2 ARG 14 HD2 ARG 14 -6.783 6.715 -11.051 125 HD3 ARG 14 HD1 ARG 14 -6.378 6.411 -12.739 126 HE ARG 14 HE ARG 14 -6.619 3.936 -11.895 127 HH11 ARG 14 HH11 ARG 14 -8.778 6.702 -11.242 128 HH12 ARG 14 HH12 ARG 14 -10.129 5.689 -10.936 129 HH21 ARG 14 HH21 ARG 14 -8.475 2.654 -11.500 130 HH22 ARG 14 HH22 ARG 14 -9.956 3.385 -11.069 131 H ASN 15 HN ASN 15 -1.964 5.602 -9.695 132 HA ASN 15 HA ASN 15 -0.609 7.909 -10.909 133 HB2 ASN 15 HB2 ASN 15 -1.487 9.408 -9.188 134 HB3 ASN 15 HB1 ASN 15 -2.841 8.438 -9.782 135 HD21 ASN 15 HD21 ASN 15 -3.809 6.968 -8.477 136 HD22 ASN 15 HD22 ASN 15 -3.467 6.982 -6.785 137 H PHE 16 HN PHE 16 0.157 5.318 -10.063 138 HA PHE 16 HA PHE 16 1.506 4.756 -7.845 139 HB2 PHE 16 HB2 PHE 16 1.531 3.279 -9.724 140 HB3 PHE 16 HB1 PHE 16 2.495 4.404 -10.663 141 HD1 PHE 16 HD2 PHE 16 2.608 2.305 -7.594 142 HD2 PHE 16 HD1 PHE 16 4.790 4.170 -10.734 143 HE1 PHE 16 HE2 PHE 16 4.667 1.167 -6.855 144 HE2 PHE 16 HE1 PHE 16 6.831 3.028 -10.006 145 HZ PHE 16 HZ PHE 16 6.766 1.525 -8.066 146 H SER 17 HN SER 17 2.940 7.019 -10.271 147 HA SER 17 HA SER 17 5.299 7.290 -8.757 148 HB2 SER 17 HB2 SER 17 5.627 9.256 -10.422 149 HB3 SER 17 HB1 SER 17 5.650 7.592 -11.011 150 HG SER 17 HG SER 17 3.852 9.617 -11.462 151 H ASN 18 HN ASN 18 2.246 8.745 -8.430 152 HA ASN 18 HA ASN 18 3.102 11.168 -7.169 153 HB2 ASN 18 HB2 ASN 18 0.904 11.230 -8.088 154 HB3 ASN 18 HB1 ASN 18 0.465 9.699 -7.358 155 HD21 ASN 18 HD21 ASN 18 -0.425 9.686 -5.384 156 HD22 ASN 18 HD22 ASN 18 -0.814 11.075 -4.457 157 H PHE 19 HN PHE 19 2.680 7.907 -6.241 158 HA PHE 19 HA PHE 19 2.952 8.513 -3.409 159 HB2 PHE 19 HB2 PHE 19 2.272 6.040 -4.949 160 HB3 PHE 19 HB1 PHE 19 2.907 5.895 -3.314 161 HD1 PHE 19 HD1 PHE 19 0.262 7.683 -5.232 162 HD2 PHE 19 HD2 PHE 19 1.452 5.919 -1.553 163 HE1 PHE 19 HE1 PHE 19 -1.982 8.078 -4.319 164 HE2 PHE 19 HE2 PHE 19 -0.791 6.309 -0.633 165 HZ PHE 19 HZ PHE 19 -2.509 7.391 -2.018 166 H CYS 20 HN CYS 20 5.013 8.579 -5.779 167 HA CYS 20 HA CYS 20 7.002 6.750 -4.816 168 HB2 CYS 20 HB2 CYS 20 6.744 7.471 -7.239 169 HB3 CYS 20 HB1 CYS 20 7.417 9.026 -6.772 170 HG CYS 20 HG CYS 20 9.137 6.333 -5.933 171 H ASN 21 HN ASN 21 5.850 9.544 -3.614 172 HA ASN 21 HA ASN 21 8.375 10.545 -2.617 173 HB2 ASN 21 HB2 ASN 21 5.555 11.604 -2.375 174 HB3 ASN 21 HB1 ASN 21 6.974 12.376 -1.684 175 HD21 ASN 21 HD21 ASN 21 8.477 13.354 -3.099 176 HD22 ASN 21 HD22 ASN 21 8.050 13.770 -4.704 177 H VAL 22 HN VAL 22 6.718 8.005 -1.812 178 HA VAL 22 HA VAL 22 6.406 8.636 1.025 179 HB VAL 22 HB VAL 22 4.586 7.285 -0.323 180 HG11 VAL 22 HG11 VAL 22 5.958 5.834 -1.481 181 HG12 VAL 22 HG12 VAL 22 4.826 4.970 -0.445 182 HG13 VAL 22 HG13 VAL 22 6.529 5.094 0.020 183 HG21 VAL 22 HG21 VAL 22 5.645 6.153 2.251 184 HG22 VAL 22 HG22 VAL 22 4.028 5.900 1.578 185 HG23 VAL 22 HG23 VAL 22 4.523 7.506 2.104 186 H ASP 23 HN ASP 23 7.373 7.242 2.634 187 HA ASP 23 HA ASP 23 9.894 6.087 1.738 188 HB2 ASP 23 HB2 ASP 23 9.938 7.712 3.636 189 HB3 ASP 23 HB1 ASP 23 8.918 6.616 4.554 190 H VAL 24 HN VAL 24 9.840 4.018 1.300 191 HA VAL 24 HA VAL 24 7.495 2.515 1.887 192 HB VAL 24 HB VAL 24 10.028 1.424 0.617 193 HG11 VAL 24 HG11 VAL 24 8.359 -0.297 1.215 194 HG12 VAL 24 HG12 VAL 24 8.473 -0.093 -0.547 195 HG13 VAL 24 HG13 VAL 24 7.140 0.617 0.317 196 HG21 VAL 24 HG21 VAL 24 9.321 3.468 -0.547 197 HG22 VAL 24 HG22 VAL 24 7.705 2.763 -0.740 198 HG23 VAL 24 HG23 VAL 24 9.086 2.028 -1.542 199 H VAL 25 HN VAL 25 10.679 2.652 3.315 200 HA VAL 25 HA VAL 25 10.315 0.170 4.681 201 HB VAL 25 HB VAL 25 12.360 0.809 6.049 202 HG11 VAL 25 HG11 VAL 25 12.585 0.694 3.052 203 HG12 VAL 25 HG12 VAL 25 12.466 -0.672 4.167 204 HG13 VAL 25 HG13 VAL 25 13.896 0.358 4.185 205 HG21 VAL 25 HG21 VAL 25 12.511 3.030 4.017 206 HG22 VAL 25 HG22 VAL 25 13.789 2.582 5.149 207 HG23 VAL 25 HG23 VAL 25 12.258 3.224 5.749 208 H GLU 26 HN GLU 26 9.697 3.493 5.537 209 HA GLU 26 HA GLU 26 9.266 3.112 8.297 210 HB2 GLU 26 HB2 GLU 26 9.223 5.356 6.833 211 HB3 GLU 26 HB1 GLU 26 7.530 4.947 6.682 212 HG2 GLU 26 HG2 GLU 26 7.850 6.522 8.425 213 HG3 GLU 26 HG1 GLU 26 7.330 4.982 9.128 214 H ILE 27 HN ILE 27 7.359 2.519 5.491 215 HA ILE 27 HA ILE 27 4.782 2.126 6.625 216 HB ILE 27 HB ILE 27 6.018 1.138 4.046 217 HG12 ILE 27 HG12 ILE 27 4.164 3.459 4.587 218 HG13 ILE 27 HG11 ILE 27 5.879 3.563 4.207 219 HG21 ILE 27 HG21 ILE 27 3.110 1.079 4.818 220 HG22 ILE 27 HG22 ILE 27 4.166 -0.317 4.583 221 HG23 ILE 27 HG23 ILE 27 3.757 0.718 3.218 222 HD11 ILE 27 HD11 ILE 27 4.531 4.089 2.273 223 HD12 ILE 27 HD12 ILE 27 3.715 2.531 2.392 224 HD13 ILE 27 HD13 ILE 27 5.430 2.596 1.994 225 H LEU 28 HN LEU 28 7.432 -0.077 5.966 226 HA LEU 28 HA LEU 28 6.085 -2.473 6.055 227 HB2 LEU 28 HB2 LEU 28 8.917 -1.978 6.961 228 HB3 LEU 28 HB1 LEU 28 8.237 -3.547 6.578 229 HG LEU 28 HG LEU 28 8.558 -1.265 4.633 230 HD11 LEU 28 HD11 LEU 28 10.131 -3.808 4.959 231 HD12 LEU 28 HD12 LEU 28 10.698 -2.176 5.321 232 HD13 LEU 28 HD13 LEU 28 10.326 -2.633 3.660 233 HD21 LEU 28 HD21 LEU 28 6.683 -2.696 4.053 234 HD22 LEU 28 HD22 LEU 28 7.700 -4.123 4.234 235 HD23 LEU 28 HD23 LEU 28 8.027 -2.968 2.942 236 HA PRO 29 HA PRO 29 6.648 -3.151 10.761 237 HB2 PRO 29 HB2 PRO 29 7.387 -1.125 12.390 238 HB3 PRO 29 HB1 PRO 29 8.566 -2.169 11.589 239 HG2 PRO 29 HG2 PRO 29 7.578 0.527 10.787 240 HG3 PRO 29 HG1 PRO 29 9.255 -0.054 10.851 241 HD2 PRO 29 HD2 PRO 29 7.863 0.075 8.545 242 HD3 PRO 29 HD1 PRO 29 9.037 -1.220 8.871 243 H TYR 30 HN TYR 30 5.089 -0.551 9.298 244 HA TYR 30 HA TYR 30 3.232 -0.097 11.479 245 HB2 TYR 30 HB2 TYR 30 3.819 1.211 8.917 246 HB3 TYR 30 HB1 TYR 30 2.124 1.246 9.324 247 HD1 TYR 30 HD2 TYR 30 1.686 1.973 11.862 248 HD2 TYR 30 HD1 TYR 30 5.162 2.937 9.625 249 HE1 TYR 30 HE2 TYR 30 2.115 3.858 13.367 250 HE2 TYR 30 HE1 TYR 30 5.611 4.835 11.131 251 HH TYR 30 HH TYR 30 4.380 6.301 12.717 252 H LEU 31 HN LEU 31 3.552 -2.091 8.746 253 HA LEU 31 HA LEU 31 0.709 -2.751 8.776 254 HB2 LEU 31 HB2 LEU 31 2.857 -3.153 6.721 255 HB3 LEU 31 HB1 LEU 31 1.365 -4.053 6.657 256 HG LEU 31 HG LEU 31 0.106 -1.916 6.313 257 HD11 LEU 31 HD11 LEU 31 2.753 -0.592 6.400 258 HD12 LEU 31 HD12 LEU 31 1.432 -0.414 7.556 259 HD13 LEU 31 HD13 LEU 31 1.227 0.118 5.884 260 HD21 LEU 31 HD21 LEU 31 0.928 -3.153 4.378 261 HD22 LEU 31 HD22 LEU 31 2.456 -2.275 4.489 262 HD23 LEU 31 HD23 LEU 31 0.972 -1.408 4.091 263 HA PRO 32 HA PRO 32 2.217 -6.453 11.082 264 HB2 PRO 32 HB2 PRO 32 -0.680 -6.663 11.606 265 HB3 PRO 32 HB1 PRO 32 0.648 -6.626 12.762 266 HG2 PRO 32 HG2 PRO 32 -0.994 -4.549 12.514 267 HG3 PRO 32 HG1 PRO 32 0.743 -4.303 12.772 268 HD2 PRO 32 HD2 PRO 32 -0.835 -4.128 10.233 269 HD3 PRO 32 HD1 PRO 32 0.426 -3.040 10.856 270 H CYS 33 HN CYS 33 0.159 -5.896 8.533 271 HA CYS 33 HA CYS 33 -0.820 -8.568 8.137 272 HB2 CYS 33 HB2 CYS 33 -2.026 -6.411 7.502 273 HB3 CYS 33 HB1 CYS 33 -0.879 -6.263 6.182 274 HG CYS 33 HG CYS 33 -3.574 -7.241 5.603 275 H LEU 34 HN LEU 34 2.162 -6.968 7.483 276 HA LEU 34 HA LEU 34 2.724 -8.654 5.187 277 HB2 LEU 34 HB2 LEU 34 4.247 -6.422 6.421 278 HB3 LEU 34 HB1 LEU 34 4.755 -7.359 5.034 279 HG LEU 34 HG LEU 34 2.458 -5.433 5.205 280 HD11 LEU 34 HD11 LEU 34 3.664 -4.412 3.373 281 HD12 LEU 34 HD12 LEU 34 4.812 -5.766 3.492 282 HD13 LEU 34 HD13 LEU 34 4.691 -4.602 4.825 283 HD21 LEU 34 HD21 LEU 34 1.921 -6.062 2.892 284 HD22 LEU 34 HD22 LEU 34 1.646 -7.398 3.993 285 HD23 LEU 34 HD23 LEU 34 3.091 -7.380 2.974 286 H THR 35 HN THR 35 3.888 -10.448 5.425 287 HA THR 35 HA THR 35 4.852 -11.369 7.882 288 HB THR 35 HB THR 35 6.028 -12.571 5.507 289 HG1 THR 35 HG1 THR 35 4.460 -12.368 4.219 290 HG21 THR 35 HG21 THR 35 5.648 -13.761 7.635 291 HG22 THR 35 HG22 THR 35 4.787 -14.541 6.310 292 HG23 THR 35 HG23 THR 35 3.910 -13.524 7.455 293 H ALA 36 HN ALA 36 7.158 -11.839 8.352 294 HA ALA 36 HA ALA 36 8.805 -9.622 8.164 295 HB1 ALA 36 HB1 ALA 36 10.546 -10.989 9.125 296 HB2 ALA 36 HB2 ALA 36 9.662 -12.457 8.704 297 HB3 ALA 36 HB3 ALA 36 9.001 -11.343 9.900 298 H ARG 37 HN ARG 37 8.921 -12.615 6.194 299 HA ARG 37 HA ARG 37 11.221 -11.881 4.769 300 HB2 ARG 37 HB2 ARG 37 8.985 -13.784 4.184 301 HB3 ARG 37 HB1 ARG 37 10.382 -13.600 3.142 302 HG2 ARG 37 HG2 ARG 37 11.833 -14.251 5.021 303 HG3 ARG 37 HG1 ARG 37 10.399 -14.476 6.022 304 HD2 ARG 37 HD2 ARG 37 11.117 -16.610 5.162 305 HD3 ARG 37 HD1 ARG 37 9.585 -16.134 4.424 306 HE ARG 37 HE ARG 37 11.596 -15.256 2.734 307 HH11 ARG 37 HH11 ARG 37 10.380 -18.354 3.902 308 HH12 ARG 37 HH12 ARG 37 10.821 -19.246 2.535 309 HH21 ARG 37 HH21 ARG 37 12.237 -16.467 0.808 310 HH22 ARG 37 HH22 ARG 37 11.906 -18.129 0.720 311 H ASP 38 HN ASP 38 7.817 -11.344 4.217 312 HA ASP 38 HA ASP 38 8.064 -10.262 1.620 313 HB2 ASP 38 HB2 ASP 38 5.927 -9.857 3.722 314 HB3 ASP 38 HB1 ASP 38 5.819 -9.186 2.100 315 H GLN 39 HN GLN 39 8.070 -8.781 4.816 316 HA GLN 39 HA GLN 39 8.365 -6.113 3.937 317 HB2 GLN 39 HB2 GLN 39 9.273 -7.409 6.508 318 HB3 GLN 39 HB1 GLN 39 9.284 -5.683 6.212 319 HG2 GLN 39 HG2 GLN 39 6.865 -5.698 5.995 320 HG3 GLN 39 HG1 GLN 39 6.794 -7.423 6.302 321 HE21 GLN 39 HE21 GLN 39 5.713 -7.356 8.175 322 HE22 GLN 39 HE22 GLN 39 6.318 -6.601 9.606 323 H ASP 40 HN ASP 40 10.709 -8.561 4.895 324 HA ASP 40 HA ASP 40 13.121 -7.220 4.717 325 HB2 ASP 40 HB2 ASP 40 13.008 -9.451 5.554 326 HB3 ASP 40 HB1 ASP 40 12.406 -10.053 4.026 327 H ARG 41 HN ARG 41 11.421 -8.905 2.177 328 HA ARG 41 HA ARG 41 13.105 -8.610 0.006 329 HB2 ARG 41 HB2 ARG 41 11.068 -9.942 0.005 330 HB3 ARG 41 HB1 ARG 41 10.091 -8.489 0.113 331 HG2 ARG 41 HG2 ARG 41 10.982 -7.799 -2.070 332 HG3 ARG 41 HG1 ARG 41 11.802 -9.362 -2.200 333 HD2 ARG 41 HD2 ARG 41 9.621 -10.490 -1.947 334 HD3 ARG 41 HD1 ARG 41 8.827 -8.919 -1.904 335 HE ARG 41 HE ARG 41 10.443 -9.432 -4.224 336 HH11 ARG 41 HH11 ARG 41 7.172 -9.525 -2.821 337 HH12 ARG 41 HH12 ARG 41 6.374 -9.758 -4.291 338 HH21 ARG 41 HH21 ARG 41 9.331 -9.779 -6.291 339 HH22 ARG 41 HH22 ARG 41 7.640 -9.910 -6.317 340 H LEU 42 HN LEU 42 10.649 -6.417 1.209 341 HA LEU 42 HA LEU 42 11.043 -4.448 -0.833 342 HB2 LEU 42 HB2 LEU 42 9.565 -4.335 1.788 343 HB3 LEU 42 HB1 LEU 42 9.444 -3.152 0.499 344 HG LEU 42 HG LEU 42 8.664 -6.051 0.178 345 HD11 LEU 42 HD11 LEU 42 6.933 -3.653 0.711 346 HD12 LEU 42 HD12 LEU 42 7.219 -4.991 1.821 347 HD13 LEU 42 HD13 LEU 42 6.352 -5.268 0.308 348 HD21 LEU 42 HD21 LEU 42 9.266 -4.898 -1.891 349 HD22 LEU 42 HD22 LEU 42 8.103 -3.620 -1.508 350 HD23 LEU 42 HD23 LEU 42 7.542 -5.253 -1.819 351 H ARG 43 HN ARG 43 11.871 -4.794 2.541 352 HA ARG 43 HA ARG 43 12.823 -2.339 3.266 353 HB2 ARG 43 HB2 ARG 43 12.524 -4.280 4.719 354 HB3 ARG 43 HB1 ARG 43 13.996 -4.972 4.053 355 HG2 ARG 43 HG2 ARG 43 15.242 -3.024 4.865 356 HG3 ARG 43 HG1 ARG 43 13.757 -2.418 5.607 357 HD2 ARG 43 HD2 ARG 43 13.585 -4.420 6.942 358 HD3 ARG 43 HD1 ARG 43 15.014 -5.049 6.111 359 HE ARG 43 HE ARG 43 15.395 -2.531 7.440 360 HH11 ARG 43 HH11 ARG 43 15.572 -6.053 7.860 361 HH12 ARG 43 HH12 ARG 43 16.630 -5.974 9.185 362 HH21 ARG 43 HH21 ARG 43 16.838 -2.442 9.297 363 HH22 ARG 43 HH22 ARG 43 17.331 -3.914 10.026 364 H ALA 44 HN ALA 44 14.881 -4.953 2.046 365 HA ALA 44 HA ALA 44 17.207 -3.333 2.013 366 HB1 ALA 44 HB1 ALA 44 16.707 -5.946 0.618 367 HB2 ALA 44 HB2 ALA 44 17.257 -5.751 2.283 368 HB3 ALA 44 HB3 ALA 44 18.281 -5.223 0.956 369 H THR 45 HN THR 45 14.746 -4.004 -0.324 370 HA THR 45 HA THR 45 16.241 -3.097 -2.596 371 HB THR 45 HB THR 45 13.249 -3.512 -2.284 372 HG1 THR 45 HG1 THR 45 13.872 -5.528 -2.064 373 HG21 THR 45 HG21 THR 45 13.293 -3.846 -4.725 374 HG22 THR 45 HG22 THR 45 15.027 -3.515 -4.743 375 HG23 THR 45 HG23 THR 45 13.891 -2.240 -4.308 376 H CYS 46 HN CYS 46 14.141 -1.631 -0.213 377 HA CYS 46 HA CYS 46 13.563 0.780 -1.582 378 HB2 CYS 46 HB2 CYS 46 12.535 -0.154 0.582 379 HB3 CYS 46 HB1 CYS 46 13.943 0.491 1.371 380 HG CYS 46 HG CYS 46 12.825 2.976 -0.390 381 H THR 47 HN THR 47 16.173 -0.337 0.332 382 HA THR 47 HA THR 47 17.593 2.140 0.479 383 HB THR 47 HB THR 47 18.591 -0.701 0.812 384 HG1 THR 47 HG1 THR 47 17.025 0.994 2.277 385 HG21 THR 47 HG21 THR 47 19.692 1.926 1.868 386 HG22 THR 47 HG22 THR 47 20.419 0.964 0.581 387 HG23 THR 47 HG23 THR 47 20.339 0.323 2.223 388 H LEU 48 HN LEU 48 17.208 -0.240 -1.941 389 HA LEU 48 HA LEU 48 19.649 0.427 -3.373 390 HB2 LEU 48 HB2 LEU 48 17.463 -1.571 -3.865 391 HB3 LEU 48 HB1 LEU 48 18.785 -1.366 -4.975 392 HG LEU 48 HG LEU 48 18.995 -2.290 -2.108 393 HD11 LEU 48 HD11 LEU 48 18.010 -3.957 -3.577 394 HD12 LEU 48 HD12 LEU 48 19.639 -4.430 -3.098 395 HD13 LEU 48 HD13 LEU 48 19.351 -3.768 -4.706 396 HD21 LEU 48 HD21 LEU 48 21.346 -2.761 -2.657 397 HD22 LEU 48 HD22 LEU 48 20.986 -1.040 -2.732 398 HD23 LEU 48 HD23 LEU 48 21.131 -1.976 -4.222 399 H SER 49 HN SER 49 16.168 0.365 -4.113 400 HA SER 49 HA SER 49 16.642 1.943 -6.503 401 HB2 SER 49 HB2 SER 49 15.148 0.040 -6.651 402 HB3 SER 49 HB1 SER 49 14.137 0.694 -5.367 403 HG SER 49 HG SER 49 14.576 1.853 -7.927 404 H GLY 50 HN GLY 50 15.697 2.481 -3.261 405 HA2 GLY 50 HA2 GLY 50 15.460 4.628 -2.344 406 HA3 GLY 50 HA1 GLY 50 15.016 5.231 -3.940 407 H ASN 51 HN ASN 51 12.999 4.322 -4.839 408 HA ASN 51 HA ASN 51 11.018 3.593 -2.806 409 HB2 ASN 51 HB2 ASN 51 10.812 6.016 -2.852 410 HB3 ASN 51 HB1 ASN 51 10.716 6.022 -4.595 411 HD21 ASN 51 HD21 ASN 51 8.904 5.649 -1.720 412 HD22 ASN 51 HD22 ASN 51 7.426 5.399 -2.596 413 H ARG 52 HN ARG 52 11.182 4.595 -6.153 414 HA ARG 52 HA ARG 52 8.843 3.686 -7.104 415 HB2 ARG 52 HB2 ARG 52 10.421 5.093 -8.323 416 HB3 ARG 52 HB1 ARG 52 11.406 3.683 -8.670 417 HG2 ARG 52 HG2 ARG 52 9.620 2.726 -10.001 418 HG3 ARG 52 HG1 ARG 52 8.565 4.075 -9.572 419 HD2 ARG 52 HD2 ARG 52 10.161 5.619 -10.651 420 HD3 ARG 52 HD1 ARG 52 11.127 4.233 -11.155 421 HE ARG 52 HE ARG 52 8.770 3.597 -12.159 422 HH11 ARG 52 HH11 ARG 52 10.652 6.583 -12.398 423 HH12 ARG 52 HH12 ARG 52 9.902 7.089 -13.841 424 HH21 ARG 52 HH21 ARG 52 7.780 4.306 -14.175 425 HH22 ARG 52 HH22 ARG 52 8.258 5.784 -14.865 426 H ASP 53 HN ASP 53 11.767 1.667 -7.604 427 HA ASP 53 HA ASP 53 10.346 -0.514 -8.720 428 HB2 ASP 53 HB2 ASP 53 12.793 -0.117 -8.942 429 HB3 ASP 53 HB1 ASP 53 12.987 -0.562 -7.258 430 H THR 54 HN THR 54 11.094 0.365 -5.473 431 HA THR 54 HA THR 54 10.554 -2.175 -4.285 432 HB THR 54 HB THR 54 10.697 0.535 -2.992 433 HG1 THR 54 HG1 THR 54 12.519 -0.891 -4.374 434 HG21 THR 54 HG21 THR 54 11.486 -0.761 -1.075 435 HG22 THR 54 HG22 THR 54 11.364 -2.247 -2.012 436 HG23 THR 54 HG23 THR 54 9.904 -1.348 -1.593 437 H LEU 55 HN LEU 55 8.806 0.927 -4.743 438 HA LEU 55 HA LEU 55 6.670 0.423 -3.099 439 HB2 LEU 55 HB2 LEU 55 7.586 2.582 -4.140 440 HB3 LEU 55 HB1 LEU 55 6.726 2.093 -5.583 441 HG LEU 55 HG LEU 55 4.795 1.820 -4.067 442 HD11 LEU 55 HD11 LEU 55 6.435 3.654 -2.367 443 HD12 LEU 55 HD12 LEU 55 5.738 2.095 -1.919 444 HD13 LEU 55 HD13 LEU 55 4.703 3.499 -2.186 445 HD21 LEU 55 HD21 LEU 55 4.106 4.211 -4.384 446 HD22 LEU 55 HD22 LEU 55 4.792 3.458 -5.825 447 HD23 LEU 55 HD23 LEU 55 5.768 4.561 -4.854 448 H TRP 56 HN TRP 56 7.402 -0.251 -6.477 449 HA TRP 56 HA TRP 56 4.859 -1.127 -7.286 450 HB2 TRP 56 HB2 TRP 56 6.658 -0.648 -8.899 451 HB3 TRP 56 HB1 TRP 56 7.583 -2.014 -8.286 452 HD1 TRP 56 HD1 TRP 56 7.161 -4.287 -9.424 453 HE1 TRP 56 HE1 TRP 56 5.456 -5.189 -11.125 454 HE3 TRP 56 HE3 TRP 56 4.023 -0.262 -9.621 455 HZ2 TRP 56 HZ2 TRP 56 3.090 -4.309 -12.373 456 HZ3 TRP 56 HZ3 TRP 56 2.058 -0.371 -11.094 457 HH2 TRP 56 HH2 TRP 56 1.603 -2.351 -12.442 458 H HIS 57 HN HIS 57 7.643 -2.903 -6.047 459 HA HIS 57 HA HIS 57 6.384 -5.413 -5.970 460 HB2 HIS 57 HB2 HIS 57 8.794 -4.325 -4.519 461 HB3 HIS 57 HB1 HIS 57 8.203 -5.956 -4.228 462 HD1 HIS 57 HD1 HIS 57 10.547 -4.141 -6.415 463 HD2 HIS 57 HD2 HIS 57 8.119 -7.518 -6.708 464 HE1 HIS 57 HE1 HIS 57 11.499 -5.533 -8.247 465 H LEU 58 HN LEU 58 6.471 -2.772 -3.722 466 HA LEU 58 HA LEU 58 5.368 -3.923 -1.433 467 HB2 LEU 58 HB2 LEU 58 6.271 -1.654 -1.522 468 HB3 LEU 58 HB1 LEU 58 4.998 -1.164 -2.595 469 HG LEU 58 HG LEU 58 3.382 -1.698 -0.683 470 HD11 LEU 58 HD11 LEU 58 5.927 -1.633 0.910 471 HD12 LEU 58 HD12 LEU 58 4.841 -3.009 0.703 472 HD13 LEU 58 HD13 LEU 58 4.295 -1.579 1.573 473 HD21 LEU 58 HD21 LEU 58 5.333 0.590 -0.411 474 HD22 LEU 58 HD22 LEU 58 3.788 0.467 0.423 475 HD23 LEU 58 HD23 LEU 58 3.831 0.573 -1.335 476 H PHE 59 HN PHE 59 3.642 -2.075 -3.936 477 HA PHE 59 HA PHE 59 1.089 -2.810 -3.007 478 HB2 PHE 59 HB2 PHE 59 1.936 -1.683 -5.669 479 HB3 PHE 59 HB1 PHE 59 0.255 -2.036 -5.282 480 HD1 PHE 59 HD2 PHE 59 -0.770 -0.911 -3.269 481 HD2 PHE 59 HD1 PHE 59 2.909 0.342 -4.995 482 HE1 PHE 59 HE2 PHE 59 -1.011 1.277 -2.178 483 HE2 PHE 59 HE1 PHE 59 2.675 2.534 -3.906 484 HZ PHE 59 HZ PHE 59 0.716 3.007 -2.498 485 H ASN 60 HN ASN 60 3.178 -4.401 -5.285 486 HA ASN 60 HA ASN 60 1.226 -6.234 -6.241 487 HB2 ASN 60 HB2 ASN 60 3.476 -5.769 -7.334 488 HB3 ASN 60 HB1 ASN 60 4.216 -6.724 -6.058 489 HD21 ASN 60 HD21 ASN 60 4.164 -7.140 -8.962 490 HD22 ASN 60 HD22 ASN 60 3.478 -8.702 -9.203 491 H THR 61 HN THR 61 3.370 -6.239 -3.463 492 HA THR 61 HA THR 61 2.701 -8.900 -2.669 493 HB THR 61 HB THR 61 4.004 -6.657 -1.094 494 HG1 THR 61 HG1 THR 61 5.279 -7.145 -2.807 495 HG21 THR 61 HG21 THR 61 4.884 -8.454 0.330 496 HG22 THR 61 HG22 THR 61 3.979 -9.645 -0.604 497 HG23 THR 61 HG23 THR 61 3.119 -8.441 0.358 498 H LEU 62 HN LEU 62 1.700 -5.635 -1.646 499 HA LEU 62 HA LEU 62 0.120 -6.320 0.512 500 HB2 LEU 62 HB2 LEU 62 0.296 -3.964 -1.269 501 HB3 LEU 62 HB1 LEU 62 -1.129 -4.101 -0.266 502 HG LEU 62 HG LEU 62 0.218 -4.088 1.745 503 HD11 LEU 62 HD11 LEU 62 2.609 -3.881 -0.051 504 HD12 LEU 62 HD12 LEU 62 2.179 -5.257 0.962 505 HD13 LEU 62 HD13 LEU 62 2.614 -3.712 1.705 506 HD21 LEU 62 HD21 LEU 62 1.117 -1.821 1.620 507 HD22 LEU 62 HD22 LEU 62 -0.455 -1.946 0.828 508 HD23 LEU 62 HD23 LEU 62 1.015 -1.883 -0.139 509 H GLN 63 HN GLN 63 -0.834 -6.191 -2.887 510 HA GLN 63 HA GLN 63 -3.624 -6.392 -2.408 511 HB2 GLN 63 HB2 GLN 63 -3.846 -6.923 -4.757 512 HB3 GLN 63 HB1 GLN 63 -2.667 -5.639 -4.551 513 HG2 GLN 63 HG2 GLN 63 -0.860 -7.298 -4.764 514 HG3 GLN 63 HG1 GLN 63 -2.065 -8.546 -5.054 515 HE21 GLN 63 HE21 GLN 63 -0.487 -5.787 -6.279 516 HE22 GLN 63 HE22 GLN 63 -0.984 -5.919 -7.922 517 H ARG 64 HN ARG 64 -1.191 -8.675 -2.044 518 HA ARG 64 HA ARG 64 -2.840 -11.007 -2.583 519 HB2 ARG 64 HB2 ARG 64 0.018 -10.701 -1.660 520 HB3 ARG 64 HB1 ARG 64 -0.765 -12.240 -1.991 521 HG2 ARG 64 HG2 ARG 64 -1.000 -11.723 -4.296 522 HG3 ARG 64 HG1 ARG 64 -0.500 -10.054 -4.034 523 HD2 ARG 64 HD2 ARG 64 1.289 -11.408 -5.028 524 HD3 ARG 64 HD1 ARG 64 1.733 -10.787 -3.443 525 HE ARG 64 HE ARG 64 0.759 -13.233 -2.875 526 HH11 ARG 64 HH11 ARG 64 3.186 -12.148 -5.210 527 HH12 ARG 64 HH12 ARG 64 4.106 -13.576 -5.121 528 HH21 ARG 64 HH21 ARG 64 2.024 -15.174 -2.756 529 HH22 ARG 64 HH22 ARG 64 3.463 -15.306 -3.679 530 H ARG 65 HN ARG 65 -2.631 -8.858 -0.167 531 HA ARG 65 HA ARG 65 -2.999 -10.838 1.962 532 HB2 ARG 65 HB2 ARG 65 -2.096 -7.962 2.256 533 HB3 ARG 65 HB1 ARG 65 -2.141 -9.186 3.513 534 HG2 ARG 65 HG2 ARG 65 -0.301 -9.165 1.117 535 HG3 ARG 65 HG1 ARG 65 0.140 -8.760 2.772 536 HD2 ARG 65 HD2 ARG 65 -0.272 -11.017 3.487 537 HD3 ARG 65 HD1 ARG 65 -0.917 -11.453 1.900 538 HE ARG 65 HE ARG 65 1.779 -10.458 1.877 539 HH11 ARG 65 HH11 ARG 65 -0.258 -13.359 2.111 540 HH12 ARG 65 HH12 ARG 65 0.968 -14.446 1.689 541 HH21 ARG 65 HH21 ARG 65 3.543 -12.018 1.279 542 HH22 ARG 65 HH22 ARG 65 3.174 -13.649 1.250 543 HA PRO 66 HA PRO 66 -7.102 -8.930 1.693 544 HB2 PRO 66 HB2 PRO 66 -7.858 -10.666 3.920 545 HB3 PRO 66 HB1 PRO 66 -8.459 -10.674 2.262 546 HG2 PRO 66 HG2 PRO 66 -6.891 -12.650 3.255 547 HG3 PRO 66 HG1 PRO 66 -6.878 -12.164 1.550 548 HD2 PRO 66 HD2 PRO 66 -4.933 -11.478 3.723 549 HD3 PRO 66 HD1 PRO 66 -4.651 -11.893 2.014 550 H GLY 67 HN GLY 67 -6.807 -6.966 2.472 551 HA2 GLY 67 HA2 GLY 67 -7.516 -5.406 4.137 552 HA3 GLY 67 HA1 GLY 67 -7.107 -6.602 5.370 553 H TRP 68 HN TRP 68 -5.701 -4.586 2.859 554 HA TRP 68 HA TRP 68 -3.304 -4.401 4.530 555 HB2 TRP 68 HB2 TRP 68 -2.062 -3.787 2.476 556 HB3 TRP 68 HB1 TRP 68 -2.737 -5.404 2.401 557 HD1 TRP 68 HD1 TRP 68 -4.623 -5.839 0.536 558 HE1 TRP 68 HE1 TRP 68 -5.285 -4.552 -1.584 559 HE3 TRP 68 HE3 TRP 68 -2.348 -1.356 1.528 560 HZ2 TRP 68 HZ2 TRP 68 -4.914 -1.989 -2.696 561 HZ3 TRP 68 HZ3 TRP 68 -2.563 0.458 -0.127 562 HH2 TRP 68 HH2 TRP 68 -3.814 0.147 -2.188 563 H VAL 69 HN VAL 69 -5.923 -2.680 3.217 564 HA VAL 69 HA VAL 69 -4.596 -0.194 2.760 565 HB VAL 69 HB VAL 69 -7.559 -0.653 3.112 566 HG11 VAL 69 HG11 VAL 69 -6.905 1.680 3.214 567 HG12 VAL 69 HG12 VAL 69 -7.795 1.348 1.728 568 HG13 VAL 69 HG13 VAL 69 -6.043 1.526 1.683 569 HG21 VAL 69 HG21 VAL 69 -5.914 -0.796 0.595 570 HG22 VAL 69 HG22 VAL 69 -7.675 -0.833 0.686 571 HG23 VAL 69 HG23 VAL 69 -6.729 -2.143 1.395 572 H GLU 70 HN GLU 70 -6.650 -1.540 5.265 573 HA GLU 70 HA GLU 70 -7.081 0.665 6.794 574 HB2 GLU 70 HB2 GLU 70 -6.668 -2.138 7.835 575 HB3 GLU 70 HB1 GLU 70 -7.612 -0.851 8.553 576 HG2 GLU 70 HG2 GLU 70 -9.251 -2.164 7.658 577 HG3 GLU 70 HG1 GLU 70 -9.004 -1.004 6.356 578 H TYR 71 HN TYR 71 -4.274 -1.473 6.711 579 HA TYR 71 HA TYR 71 -3.064 -0.243 9.003 580 HB2 TYR 71 HB2 TYR 71 -2.044 -2.286 7.037 581 HB3 TYR 71 HB1 TYR 71 -1.277 -1.820 8.551 582 HD1 TYR 71 HD1 TYR 71 -2.639 -2.198 10.708 583 HD2 TYR 71 HD2 TYR 71 -3.580 -4.032 6.992 584 HE1 TYR 71 HE1 TYR 71 -3.945 -3.904 11.888 585 HE2 TYR 71 HE2 TYR 71 -4.891 -5.746 8.166 586 HH TYR 71 HH TYR 71 -5.769 -5.419 11.402 587 H PHE 72 HN PHE 72 -2.918 -0.211 5.526 588 HA PHE 72 HA PHE 72 -0.510 1.146 5.173 589 HB2 PHE 72 HB2 PHE 72 -1.739 -0.087 3.391 590 HB3 PHE 72 HB1 PHE 72 -2.966 1.166 3.406 591 HD1 PHE 72 HD1 PHE 72 0.716 0.763 2.950 592 HD2 PHE 72 HD2 PHE 72 -2.825 2.852 1.836 593 HE1 PHE 72 HE1 PHE 72 1.976 1.967 1.215 594 HE2 PHE 72 HE2 PHE 72 -1.564 4.059 0.100 595 HZ PHE 72 HZ PHE 72 0.837 3.620 -0.208 596 H ILE 73 HN ILE 73 -3.814 2.319 5.673 597 HA ILE 73 HA ILE 73 -3.433 5.071 5.221 598 HB ILE 73 HB ILE 73 -5.130 3.987 7.492 599 HG12 ILE 73 HG12 ILE 73 -5.755 2.761 5.464 600 HG13 ILE 73 HG11 ILE 73 -7.032 3.870 5.929 601 HG21 ILE 73 HG21 ILE 73 -4.870 6.395 7.499 602 HG22 ILE 73 HG22 ILE 73 -6.529 5.969 7.069 603 HG23 ILE 73 HG23 ILE 73 -5.399 6.482 5.818 604 HD11 ILE 73 HD11 ILE 73 -6.292 5.420 4.189 605 HD12 ILE 73 HD12 ILE 73 -6.740 3.828 3.566 606 HD13 ILE 73 HD13 ILE 73 -5.037 4.262 3.719 607 H ALA 74 HN ALA 74 -2.897 3.129 8.097 608 HA ALA 74 HA ALA 74 -2.132 5.293 9.779 609 HB1 ALA 74 HB1 ALA 74 -1.686 2.330 10.137 610 HB2 ALA 74 HB2 ALA 74 -3.106 3.226 10.675 611 HB3 ALA 74 HB3 ALA 74 -1.527 3.564 11.388 612 H ALA 75 HN ALA 75 -0.514 3.379 7.458 613 HA ALA 75 HA ALA 75 2.107 3.678 8.482 614 HB1 ALA 75 HB1 ALA 75 1.506 1.899 6.881 615 HB2 ALA 75 HB2 ALA 75 2.850 2.882 6.300 616 HB3 ALA 75 HB3 ALA 75 1.230 3.125 5.649 617 H LEU 76 HN LEU 76 0.353 5.427 5.788 618 HA LEU 76 HA LEU 76 2.435 7.251 5.446 619 HB2 LEU 76 HB2 LEU 76 -0.472 7.753 4.883 620 HB3 LEU 76 HB1 LEU 76 0.898 8.556 4.162 621 HG LEU 76 HG LEU 76 0.347 7.280 2.494 622 HD11 LEU 76 HD11 LEU 76 2.523 6.563 2.880 623 HD12 LEU 76 HD12 LEU 76 1.581 5.223 2.221 624 HD13 LEU 76 HD13 LEU 76 1.970 5.268 3.942 625 HD21 LEU 76 HD21 LEU 76 -1.660 6.396 3.353 626 HD22 LEU 76 HD22 LEU 76 -0.784 5.202 4.309 627 HD23 LEU 76 HD23 LEU 76 -0.778 5.101 2.548 628 H ARG 77 HN ARG 77 -0.469 7.289 7.430 629 HA ARG 77 HA ARG 77 -0.175 10.005 8.242 630 HB2 ARG 77 HB2 ARG 77 -2.358 8.884 8.281 631 HB3 ARG 77 HB1 ARG 77 -1.760 7.749 9.465 632 HG2 ARG 77 HG2 ARG 77 -1.563 9.452 11.129 633 HG3 ARG 77 HG1 ARG 77 -1.974 10.707 9.962 634 HD2 ARG 77 HD2 ARG 77 -3.851 10.061 11.475 635 HD3 ARG 77 HD1 ARG 77 -4.212 9.884 9.764 636 HE ARG 77 HE ARG 77 -4.574 7.681 10.113 637 HH11 ARG 77 HH11 ARG 77 -2.483 8.715 12.815 638 HH12 ARG 77 HH12 ARG 77 -2.698 7.286 13.684 639 HH21 ARG 77 HH21 ARG 77 -4.835 5.743 11.317 640 HH22 ARG 77 HH22 ARG 77 -4.047 5.553 12.825 641 H GLY 78 HN GLY 78 0.811 6.937 9.602 642 HA2 GLY 78 HA2 GLY 78 1.606 7.891 12.123 643 HA3 GLY 78 HA1 GLY 78 2.088 6.376 11.383 644 H CYS 79 HN CYS 79 3.245 7.916 9.053 645 HA CYS 79 HA CYS 79 5.719 8.524 10.403 646 HB2 CYS 79 HB2 CYS 79 6.726 8.593 8.051 647 HB3 CYS 79 HB1 CYS 79 5.983 7.080 8.488 648 HG CYS 79 HG CYS 79 3.973 7.094 6.896 649 H GLU 80 HN GLU 80 4.634 10.221 7.526 650 HA GLU 80 HA GLU 80 4.019 12.661 8.903 651 HB2 GLU 80 HB2 GLU 80 5.911 13.979 7.976 652 HB3 GLU 80 HB1 GLU 80 6.396 12.806 9.188 653 HG2 GLU 80 HG2 GLU 80 7.083 11.284 7.374 654 HG3 GLU 80 HG1 GLU 80 6.708 12.549 6.205 655 H LEU 81 HN LEU 81 3.167 10.766 6.672 656 HA LEU 81 HA LEU 81 2.998 12.759 4.561 657 HB2 LEU 81 HB2 LEU 81 3.136 9.753 4.328 658 HB3 LEU 81 HB1 LEU 81 2.940 10.866 2.984 659 HG LEU 81 HG LEU 81 5.335 10.916 4.820 660 HD11 LEU 81 HD11 LEU 81 6.546 9.825 3.013 661 HD12 LEU 81 HD12 LEU 81 5.014 9.585 2.162 662 HD13 LEU 81 HD13 LEU 81 5.301 8.807 3.729 663 HD21 LEU 81 HD21 LEU 81 6.347 12.214 2.999 664 HD22 LEU 81 HD22 LEU 81 4.924 13.008 3.664 665 HD23 LEU 81 HD23 LEU 81 4.817 12.159 2.120 666 H VAL 82 HN VAL 82 1.280 13.309 6.018 667 HA VAL 82 HA VAL 82 -0.926 11.613 6.509 668 HB VAL 82 HB VAL 82 -0.729 14.624 6.818 669 HG11 VAL 82 HG11 VAL 82 -2.497 14.374 8.488 670 HG12 VAL 82 HG12 VAL 82 -2.627 12.659 8.088 671 HG13 VAL 82 HG13 VAL 82 -3.027 13.884 6.878 672 HG21 VAL 82 HG21 VAL 82 1.028 13.500 8.056 673 HG22 VAL 82 HG22 VAL 82 -0.153 12.418 8.792 674 HG23 VAL 82 HG23 VAL 82 -0.184 14.140 9.165 675 H ASP 83 HN ASP 83 -0.164 13.818 3.941 676 HA ASP 83 HA ASP 83 -2.785 14.212 2.888 677 HB2 ASP 83 HB2 ASP 83 -0.110 14.273 1.464 678 HB3 ASP 83 HB1 ASP 83 -1.628 14.680 0.686 679 H LEU 84 HN LEU 84 -0.285 11.837 2.255 680 HA LEU 84 HA LEU 84 -1.653 10.427 0.247 681 HB2 LEU 84 HB2 LEU 84 0.490 9.536 2.163 682 HB3 LEU 84 HB1 LEU 84 -0.138 8.516 0.883 683 HG LEU 84 HG LEU 84 1.253 11.160 0.428 684 HD11 LEU 84 HD11 LEU 84 2.255 8.329 0.098 685 HD12 LEU 84 HD12 LEU 84 2.773 9.463 1.348 686 HD13 LEU 84 HD13 LEU 84 3.125 9.799 -0.347 687 HD21 LEU 84 HD21 LEU 84 0.402 8.964 -1.441 688 HD22 LEU 84 HD22 LEU 84 1.324 10.381 -1.897 689 HD23 LEU 84 HD23 LEU 84 -0.349 10.556 -1.332 690 H ALA 85 HN ALA 85 -1.600 10.098 3.724 691 HA ALA 85 HA ALA 85 -3.169 7.766 3.944 692 HB1 ALA 85 HB1 ALA 85 -3.639 8.482 6.227 693 HB2 ALA 85 HB2 ALA 85 -3.048 10.100 5.855 694 HB3 ALA 85 HB3 ALA 85 -1.934 8.734 5.854 695 H ASP 86 HN ASP 86 -4.020 11.178 3.810 696 HA ASP 86 HA ASP 86 -6.785 10.880 4.209 697 HB2 ASP 86 HB2 ASP 86 -5.708 13.052 4.487 698 HB3 ASP 86 HB1 ASP 86 -5.290 13.081 2.779 699 H GLU 87 HN GLU 87 -4.870 11.115 1.217 700 HA GLU 87 HA GLU 87 -7.166 11.148 -0.379 701 HB2 GLU 87 HB2 GLU 87 -5.793 11.025 -2.325 702 HB3 GLU 87 HB1 GLU 87 -4.900 11.929 -1.122 703 HG2 GLU 87 HG2 GLU 87 -3.412 10.174 -0.739 704 HG3 GLU 87 HG1 GLU 87 -4.391 9.046 -1.684 705 H VAL 88 HN VAL 88 -5.253 8.467 0.726 706 HA VAL 88 HA VAL 88 -6.688 6.552 -0.849 707 HB VAL 88 HB VAL 88 -5.068 6.030 1.674 708 HG11 VAL 88 HG11 VAL 88 -5.910 4.156 -0.542 709 HG12 VAL 88 HG12 VAL 88 -6.550 4.173 1.102 710 HG13 VAL 88 HG13 VAL 88 -4.866 3.736 0.817 711 HG21 VAL 88 HG21 VAL 88 -3.709 7.121 -0.024 712 HG22 VAL 88 HG22 VAL 88 -4.214 5.922 -1.218 713 HG23 VAL 88 HG23 VAL 88 -3.236 5.434 0.168 714 H ALA 89 HN ALA 89 -6.921 7.700 2.498 715 HA ALA 89 HA ALA 89 -8.898 5.928 3.389 716 HB1 ALA 89 HB1 ALA 89 -9.304 7.507 5.191 717 HB2 ALA 89 HB2 ALA 89 -8.440 8.764 4.307 718 HB3 ALA 89 HB3 ALA 89 -7.572 7.347 4.897 719 H SER 90 HN SER 90 -9.140 8.892 1.593 720 HA SER 90 HA SER 90 -11.927 9.250 1.857 721 HB2 SER 90 HB2 SER 90 -10.063 10.203 -0.322 722 HB3 SER 90 HB1 SER 90 -11.673 10.844 0.018 723 HG SER 90 HG SER 90 -9.282 11.148 1.424 724 H VAL 91 HN VAL 91 -9.999 7.230 -0.233 725 HA VAL 91 HA VAL 91 -12.179 6.690 -2.072 726 HB VAL 91 HB VAL 91 -9.496 5.294 -1.792 727 HG11 VAL 91 HG11 VAL 91 -9.879 4.520 -4.092 728 HG12 VAL 91 HG12 VAL 91 -11.471 5.276 -4.072 729 HG13 VAL 91 HG13 VAL 91 -11.120 3.932 -2.984 730 HG21 VAL 91 HG21 VAL 91 -8.773 6.670 -3.690 731 HG22 VAL 91 HG22 VAL 91 -9.184 7.646 -2.280 732 HG23 VAL 91 HG23 VAL 91 -10.308 7.535 -3.634 733 H TYR 92 HN TYR 92 -10.409 5.101 0.508 734 HA TYR 92 HA TYR 92 -11.980 2.700 0.427 735 HB2 TYR 92 HB2 TYR 92 -9.544 2.877 1.106 736 HB3 TYR 92 HB1 TYR 92 -10.082 3.630 2.596 737 HD1 TYR 92 HD1 TYR 92 -10.172 0.519 0.623 738 HD2 TYR 92 HD2 TYR 92 -10.876 2.328 4.375 739 HE1 TYR 92 HE1 TYR 92 -10.384 -1.726 1.631 740 HE2 TYR 92 HE2 TYR 92 -11.089 0.084 5.431 741 HH TYR 92 HH TYR 92 -10.091 -2.735 3.932 742 H GLN 93 HN GLN 93 -12.719 5.631 1.395 743 HA GLN 93 HA GLN 93 -14.400 4.968 3.680 744 HB2 GLN 93 HB2 GLN 93 -13.400 7.185 3.552 745 HB3 GLN 93 HB1 GLN 93 -14.181 7.480 2.010 746 HG2 GLN 93 HG2 GLN 93 -16.368 7.416 3.112 747 HG3 GLN 93 HG1 GLN 93 -15.574 7.133 4.660 748 HE21 GLN 93 HE21 GLN 93 -13.368 8.936 4.045 749 HE22 GLN 93 HE22 GLN 93 -13.996 10.529 4.183 750 H SER 94 HN SER 94 -14.655 5.456 0.235 751 HA SER 94 HA SER 94 -17.517 5.264 0.174 752 HB2 SER 94 HB2 SER 94 -15.466 5.191 -2.054 753 HB3 SER 94 HB1 SER 94 -17.205 5.443 -2.242 754 HG SER 94 HG SER 94 -17.019 7.278 -0.996 755 H TYR 95 HN TYR 95 -14.739 3.317 -0.707 756 HA TYR 95 HA TYR 95 -16.389 0.939 -1.172 757 HB2 TYR 95 HB2 TYR 95 -13.419 1.427 -1.440 758 HB3 TYR 95 HB1 TYR 95 -14.270 -0.054 -1.873 759 HD1 TYR 95 HD1 TYR 95 -15.825 -0.069 -3.859 760 HD2 TYR 95 HD2 TYR 95 -13.388 3.306 -2.910 761 HE1 TYR 95 HE1 TYR 95 -16.185 0.831 -6.106 762 HE2 TYR 95 HE2 TYR 95 -13.750 4.191 -5.169 763 HH TYR 95 HH TYR 95 -16.128 3.125 -7.202 764 H GLN 96 HN GLN 96 -17.224 0.428 0.716 765 HA GLN 96 HA GLN 96 -15.306 -0.749 2.565 766 HB2 GLN 96 HB2 GLN 96 -17.602 0.952 3.529 767 HB3 GLN 96 HB1 GLN 96 -16.509 0.027 4.535 768 HG2 GLN 96 HG2 GLN 96 -14.671 1.422 3.618 769 HG3 GLN 96 HG1 GLN 96 -15.910 2.440 2.892 770 HE21 GLN 96 HE21 GLN 96 -13.984 3.138 4.859 771 HE22 GLN 96 HE22 GLN 96 -14.848 3.680 6.264 772 HA PRO 97 HA PRO 97 -18.752 -3.690 2.108 773 HB2 PRO 97 HB2 PRO 97 -17.211 -5.890 1.851 774 HB3 PRO 97 HB1 PRO 97 -17.557 -4.859 0.458 775 HG2 PRO 97 HG2 PRO 97 -15.116 -4.945 2.183 776 HG3 PRO 97 HG1 PRO 97 -15.216 -4.845 0.430 777 HD2 PRO 97 HD2 PRO 97 -14.778 -2.692 2.048 778 HD3 PRO 97 HD1 PRO 97 -15.595 -2.534 0.487 779 H ARG 98 HN ARG 98 -15.793 -3.463 3.851 780 HA ARG 98 HA ARG 98 -16.900 -4.812 6.193 781 HB2 ARG 98 HB2 ARG 98 -14.004 -4.506 5.423 782 HB3 ARG 98 HB1 ARG 98 -14.678 -5.474 6.719 783 HG2 ARG 98 HG2 ARG 98 -15.613 -7.032 5.140 784 HG3 ARG 98 HG1 ARG 98 -15.120 -6.009 3.788 785 HD2 ARG 98 HD2 ARG 98 -12.757 -6.263 4.604 786 HD3 ARG 98 HD1 ARG 98 -13.356 -7.486 5.717 787 HE ARG 98 HE ARG 98 -14.100 -8.749 3.786 788 HH11 ARG 98 HH11 ARG 98 -11.653 -6.216 3.248 789 HH12 ARG 98 HH12 ARG 98 -11.009 -6.896 1.851 790 HH21 ARG 98 HH21 ARG 98 -13.167 -9.736 1.846 791 HH22 ARG 98 HH22 ARG 98 -11.873 -8.970 1.041 792 H THR 99 HN THR 99 -17.604 -2.908 7.170 793 HA THR 99 HA THR 99 -15.692 -0.737 7.441 794 HB THR 99 HB THR 99 -18.554 -0.945 8.454 795 HG1 THR 99 HG1 THR 99 -17.751 0.621 6.260 796 HG21 THR 99 HG21 THR 99 -16.755 1.457 8.046 797 HG22 THR 99 HG22 THR 99 -17.179 0.760 9.606 798 HG23 THR 99 HG23 THR 99 -18.427 1.505 8.606 799 H SER 100 HN SER 100 -16.977 -3.455 9.087 800 HA SER 100 HA SER 100 -16.035 -2.643 11.682 801 HB2 SER 100 HB2 SER 100 -17.191 -5.287 10.770 802 HB3 SER 100 HB1 SER 100 -17.054 -4.693 12.428 803 HG SER 100 HG SER 100 -18.293 -2.864 11.010 Start of MODEL 18 1 H1 GLY -1 HT1 GLY -1 -13.259 -9.445 8.018 2 H2 GLY -1 HT2 GLY -1 -12.160 -10.640 7.513 3 H3 GLY -1 HT3 GLY -1 -13.801 -10.986 7.574 4 HA2 GLY -1 HA1 GLY -1 -14.256 -9.411 5.854 5 HA3 GLY -1 HA2 GLY -1 -12.558 -8.969 5.816 6 H SER 0 HN SER 0 -14.854 -11.555 5.199 7 HA SER 0 HA SER 0 -12.909 -13.144 3.793 8 HB2 SER 0 HB2 SER 0 -15.925 -13.387 3.980 9 HB3 SER 0 HB1 SER 0 -14.832 -14.619 3.351 10 HG SER 0 HG SER 0 -13.806 -14.521 5.420 11 H MET 1 HN MET 1 -12.435 -12.939 1.679 12 HA MET 1 HA MET 1 -12.485 -12.489 -0.449 13 HB2 MET 1 HB2 MET 1 -15.354 -11.591 -0.108 14 HB3 MET 1 HB1 MET 1 -14.512 -11.641 -1.648 15 HG2 MET 1 HG2 MET 1 -14.236 -14.078 -1.373 16 HG3 MET 1 HG1 MET 1 -15.164 -13.987 0.122 17 HE1 MET 1 HE1 MET 1 -18.692 -12.820 -1.216 18 HE2 MET 1 HE2 MET 1 -17.392 -11.738 -0.740 19 HE3 MET 1 HE3 MET 1 -17.728 -13.185 0.216 20 HA PRO 2 HA PRO 2 -11.299 -8.258 0.245 21 HB2 PRO 2 HB2 PRO 2 -9.015 -8.373 -1.210 22 HB3 PRO 2 HB1 PRO 2 -9.154 -9.092 0.411 23 HG2 PRO 2 HG2 PRO 2 -9.318 -10.456 -2.240 24 HG3 PRO 2 HG1 PRO 2 -8.420 -10.931 -0.787 25 HD2 PRO 2 HD2 PRO 2 -10.863 -11.950 -1.456 26 HD3 PRO 2 HD1 PRO 2 -10.279 -11.833 0.215 27 H PHE 3 HN PHE 3 -12.321 -6.782 -0.897 28 HA PHE 3 HA PHE 3 -12.517 -7.097 -3.816 29 HB2 PHE 3 HB2 PHE 3 -14.578 -8.049 -2.937 30 HB3 PHE 3 HB1 PHE 3 -14.850 -6.627 -1.944 31 HD1 PHE 3 HD1 PHE 3 -14.686 -7.809 -5.456 32 HD2 PHE 3 HD2 PHE 3 -16.037 -4.774 -2.790 33 HE1 PHE 3 HE1 PHE 3 -16.031 -6.811 -7.263 34 HE2 PHE 3 HE2 PHE 3 -17.375 -3.778 -4.597 35 HZ PHE 3 HZ PHE 3 -17.371 -4.797 -6.832 36 H ALA 4 HN ALA 4 -13.501 -5.003 -1.151 37 HA ALA 4 HA ALA 4 -13.553 -2.642 -2.674 38 HB1 ALA 4 HB1 ALA 4 -13.305 -3.034 0.310 39 HB2 ALA 4 HB2 ALA 4 -14.813 -2.998 -0.607 40 HB3 ALA 4 HB3 ALA 4 -13.832 -1.553 -0.496 41 H GLU 5 HN GLU 5 -11.210 -4.220 -0.687 42 HA GLU 5 HA GLU 5 -9.207 -2.262 -0.599 43 HB2 GLU 5 HB2 GLU 5 -8.702 -5.243 -0.617 44 HB3 GLU 5 HB1 GLU 5 -7.748 -4.000 0.169 45 HG2 GLU 5 HG2 GLU 5 -8.832 -4.833 2.007 46 HG3 GLU 5 HG1 GLU 5 -9.998 -3.625 1.507 47 H ASP 6 HN ASP 6 -9.946 -4.800 -2.905 48 HA ASP 6 HA ASP 6 -7.599 -4.519 -4.505 49 HB2 ASP 6 HB2 ASP 6 -8.829 -6.602 -4.616 50 HB3 ASP 6 HB1 ASP 6 -10.294 -5.761 -5.112 51 H LYS 7 HN LYS 7 -10.899 -3.333 -4.738 52 HA LYS 7 HA LYS 7 -10.718 -1.914 -7.164 53 HB2 LYS 7 HB2 LYS 7 -12.327 -1.155 -4.725 54 HB3 LYS 7 HB1 LYS 7 -12.612 -0.589 -6.356 55 HG2 LYS 7 HG2 LYS 7 -12.846 -3.448 -5.456 56 HG3 LYS 7 HG1 LYS 7 -14.191 -2.325 -5.589 57 HD2 LYS 7 HD2 LYS 7 -12.421 -3.068 -7.922 58 HD3 LYS 7 HD1 LYS 7 -13.861 -3.969 -7.470 59 HE2 LYS 7 HE2 LYS 7 -14.529 -2.523 -9.212 60 HE3 LYS 7 HE1 LYS 7 -15.158 -1.812 -7.734 61 HZ1 LYS 7 HZ1 LYS 7 -12.720 -0.902 -9.198 62 HZ2 LYS 7 HZ2 LYS 7 -13.387 -0.101 -7.859 63 HZ3 LYS 7 HZ3 LYS 7 -14.235 -0.218 -9.283 64 H THR 8 HN THR 8 -9.926 -1.011 -3.873 65 HA THR 8 HA THR 8 -9.293 1.669 -4.318 66 HB THR 8 HB THR 8 -8.218 -0.259 -2.236 67 HG1 THR 8 HG1 THR 8 -10.430 -0.079 -1.996 68 HG21 THR 8 HG21 THR 8 -6.816 1.774 -2.400 69 HG22 THR 8 HG22 THR 8 -7.730 1.751 -0.894 70 HG23 THR 8 HG23 THR 8 -8.256 2.778 -2.225 71 H TYR 9 HN TYR 9 -7.202 -1.252 -4.280 72 HA TYR 9 HA TYR 9 -4.827 0.049 -4.920 73 HB2 TYR 9 HB2 TYR 9 -4.597 -2.235 -4.247 74 HB3 TYR 9 HB1 TYR 9 -5.678 -2.797 -5.525 75 HD1 TYR 9 HD2 TYR 9 -2.413 -1.028 -5.070 76 HD2 TYR 9 HD1 TYR 9 -4.769 -3.577 -7.537 77 HE1 TYR 9 HE2 TYR 9 -0.524 -1.264 -6.634 78 HE2 TYR 9 HE1 TYR 9 -2.893 -3.805 -9.102 79 HH TYR 9 HH TYR 9 0.268 -2.710 -8.317 80 H LYS 10 HN LYS 10 -7.320 -1.223 -7.035 81 HA LYS 10 HA LYS 10 -6.004 -0.871 -9.482 82 HB2 LYS 10 HB2 LYS 10 -8.974 -0.744 -8.912 83 HB3 LYS 10 HB1 LYS 10 -8.252 -0.929 -10.506 84 HG2 LYS 10 HG2 LYS 10 -7.919 -2.892 -8.233 85 HG3 LYS 10 HG1 LYS 10 -9.081 -3.055 -9.545 86 HD2 LYS 10 HD2 LYS 10 -7.334 -3.259 -11.167 87 HD3 LYS 10 HD1 LYS 10 -6.101 -2.838 -9.983 88 HE2 LYS 10 HE2 LYS 10 -6.191 -5.263 -10.491 89 HE3 LYS 10 HE1 LYS 10 -6.451 -4.897 -8.791 90 HZ1 LYS 10 HZ1 LYS 10 -7.942 -6.598 -9.815 91 HZ2 LYS 10 HZ2 LYS 10 -8.740 -5.352 -10.643 92 HZ3 LYS 10 HZ3 LYS 10 -8.690 -5.394 -8.953 93 H TYR 11 HN TYR 11 -7.670 1.412 -7.481 94 HA TYR 11 HA TYR 11 -7.645 3.550 -9.428 95 HB2 TYR 11 HB2 TYR 11 -9.277 3.380 -7.403 96 HB3 TYR 11 HB1 TYR 11 -7.887 3.770 -6.449 97 HD1 TYR 11 HD2 TYR 11 -10.002 5.147 -9.143 98 HD2 TYR 11 HD1 TYR 11 -7.092 5.946 -6.157 99 HE1 TYR 11 HE2 TYR 11 -10.304 7.554 -9.494 100 HE2 TYR 11 HE1 TYR 11 -7.385 8.354 -6.503 101 HH TYR 11 HH TYR 11 -8.152 9.850 -8.217 102 H ILE 12 HN ILE 12 -5.900 2.641 -6.530 103 HA ILE 12 HA ILE 12 -4.297 4.928 -6.442 104 HB ILE 12 HB ILE 12 -3.976 2.259 -5.050 105 HG12 ILE 12 HG12 ILE 12 -6.058 3.517 -4.603 106 HG13 ILE 12 HG11 ILE 12 -5.055 3.343 -3.151 107 HG21 ILE 12 HG21 ILE 12 -2.516 3.411 -3.444 108 HG22 ILE 12 HG22 ILE 12 -2.577 4.866 -4.439 109 HG23 ILE 12 HG23 ILE 12 -1.822 3.401 -5.067 110 HD11 ILE 12 HD11 ILE 12 -5.375 5.804 -4.880 111 HD12 ILE 12 HD12 ILE 12 -4.307 5.680 -3.487 112 HD13 ILE 12 HD13 ILE 12 -6.052 5.545 -3.274 113 H CYS 13 HN CYS 13 -3.806 1.883 -7.971 114 HA CYS 13 HA CYS 13 -1.059 2.020 -8.536 115 HB2 CYS 13 HB2 CYS 13 -2.615 0.078 -8.756 116 HB3 CYS 13 HB1 CYS 13 -3.252 0.808 -10.204 117 HG CYS 13 HG CYS 13 -0.671 -1.156 -9.856 118 H ARG 14 HN ARG 14 -3.675 3.812 -9.758 119 HA ARG 14 HA ARG 14 -2.507 4.500 -12.328 120 HB2 ARG 14 HB2 ARG 14 -4.815 5.857 -10.941 121 HB3 ARG 14 HB1 ARG 14 -4.398 5.952 -12.644 122 HG2 ARG 14 HG2 ARG 14 -4.953 3.587 -12.911 123 HG3 ARG 14 HG1 ARG 14 -5.313 3.521 -11.175 124 HD2 ARG 14 HD2 ARG 14 -7.061 5.211 -11.481 125 HD3 ARG 14 HD1 ARG 14 -6.742 5.202 -13.217 126 HE ARG 14 HE ARG 14 -7.251 2.693 -12.910 127 HH11 ARG 14 HH11 ARG 14 -8.981 5.434 -11.539 128 HH12 ARG 14 HH12 ARG 14 -10.436 4.579 -11.290 129 HH21 ARG 14 HH21 ARG 14 -9.249 1.515 -12.609 130 HH22 ARG 14 HH22 ARG 14 -10.598 2.299 -11.927 131 H ASN 15 HN ASN 15 -2.745 5.924 -9.127 132 HA ASN 15 HA ASN 15 -1.621 8.433 -10.137 133 HB2 ASN 15 HB2 ASN 15 -2.334 9.466 -8.000 134 HB3 ASN 15 HB1 ASN 15 -3.688 8.616 -8.777 135 HD21 ASN 15 HD21 ASN 15 -4.473 6.758 -7.842 136 HD22 ASN 15 HD22 ASN 15 -4.005 6.422 -6.195 137 H PHE 16 HN PHE 16 -0.245 6.003 -9.750 138 HA PHE 16 HA PHE 16 1.550 5.613 -7.790 139 HB2 PHE 16 HB2 PHE 16 1.713 4.340 -9.836 140 HB3 PHE 16 HB1 PHE 16 2.283 5.747 -10.723 141 HD1 PHE 16 HD1 PHE 16 3.179 3.524 -7.886 142 HD2 PHE 16 HD2 PHE 16 4.577 6.117 -10.949 143 HE1 PHE 16 HE1 PHE 16 5.485 2.893 -7.355 144 HE2 PHE 16 HE2 PHE 16 6.897 5.491 -10.424 145 HZ PHE 16 HZ PHE 16 7.349 3.869 -8.616 146 H SER 17 HN SER 17 1.917 8.357 -10.046 147 HA SER 17 HA SER 17 4.322 9.396 -9.181 148 HB2 SER 17 HB2 SER 17 1.852 10.868 -10.096 149 HB3 SER 17 HB1 SER 17 3.474 11.546 -10.049 150 HG SER 17 HG SER 17 3.035 10.830 -12.084 151 H ASN 18 HN ASN 18 1.186 9.585 -7.626 152 HA ASN 18 HA ASN 18 1.642 11.748 -5.868 153 HB2 ASN 18 HB2 ASN 18 -0.258 9.407 -5.750 154 HB3 ASN 18 HB1 ASN 18 -0.271 10.661 -4.533 155 HD21 ASN 18 HD21 ASN 18 -2.350 11.185 -5.031 156 HD22 ASN 18 HD22 ASN 18 -2.788 12.039 -6.469 157 H PHE 19 HN PHE 19 1.851 8.249 -5.416 158 HA PHE 19 HA PHE 19 3.033 8.765 -2.822 159 HB2 PHE 19 HB2 PHE 19 2.736 6.355 -2.361 160 HB3 PHE 19 HB1 PHE 19 1.234 7.169 -2.754 161 HD1 PHE 19 HD1 PHE 19 3.752 4.764 -3.908 162 HD2 PHE 19 HD2 PHE 19 -0.013 6.568 -4.710 163 HE1 PHE 19 HE1 PHE 19 3.283 3.027 -5.580 164 HE2 PHE 19 HE2 PHE 19 -0.483 4.837 -6.382 165 HZ PHE 19 HZ PHE 19 1.157 3.063 -6.820 166 H CYS 20 HN CYS 20 4.274 8.667 -5.745 167 HA CYS 20 HA CYS 20 6.390 6.788 -5.349 168 HB2 CYS 20 HB2 CYS 20 5.690 7.492 -7.624 169 HB3 CYS 20 HB1 CYS 20 6.263 9.120 -7.287 170 HG CYS 20 HG CYS 20 8.886 7.871 -6.704 171 H ASN 21 HN ASN 21 5.770 9.677 -3.965 172 HA ASN 21 HA ASN 21 8.579 10.335 -3.460 173 HB2 ASN 21 HB2 ASN 21 6.982 12.122 -4.232 174 HB3 ASN 21 HB1 ASN 21 6.053 11.870 -2.769 175 HD21 ASN 21 HD21 ASN 21 9.048 13.063 -4.076 176 HD22 ASN 21 HD22 ASN 21 9.489 14.015 -2.701 177 H VAL 22 HN VAL 22 6.559 8.172 -2.284 178 HA VAL 22 HA VAL 22 6.380 8.917 0.497 179 HB VAL 22 HB VAL 22 4.754 7.408 -0.993 180 HG11 VAL 22 HG11 VAL 22 6.547 5.314 0.046 181 HG12 VAL 22 HG12 VAL 22 6.228 5.776 -1.642 182 HG13 VAL 22 HG13 VAL 22 4.928 5.110 -0.646 183 HG21 VAL 22 HG21 VAL 22 4.279 8.042 1.300 184 HG22 VAL 22 HG22 VAL 22 5.356 6.771 1.876 185 HG23 VAL 22 HG23 VAL 22 3.877 6.348 1.014 186 H ASP 23 HN ASP 23 7.228 7.521 2.233 187 HA ASP 23 HA ASP 23 9.894 6.448 1.678 188 HB2 ASP 23 HB2 ASP 23 9.532 7.973 3.654 189 HB3 ASP 23 HB1 ASP 23 8.418 6.785 4.316 190 H VAL 24 HN VAL 24 10.237 4.231 1.753 191 HA VAL 24 HA VAL 24 7.782 2.631 1.804 192 HB VAL 24 HB VAL 24 10.561 1.723 1.032 193 HG11 VAL 24 HG11 VAL 24 9.381 0.016 -0.231 194 HG12 VAL 24 HG12 VAL 24 7.848 0.618 0.373 195 HG13 VAL 24 HG13 VAL 24 9.015 -0.108 1.496 196 HG21 VAL 24 HG21 VAL 24 9.899 2.088 -1.273 197 HG22 VAL 24 HG22 VAL 24 9.877 3.602 -0.352 198 HG23 VAL 24 HG23 VAL 24 8.366 2.739 -0.695 199 H VAL 25 HN VAL 25 10.593 3.175 3.679 200 HA VAL 25 HA VAL 25 10.465 0.508 4.766 201 HB VAL 25 HB VAL 25 12.542 1.046 6.023 202 HG11 VAL 25 HG11 VAL 25 12.611 1.323 3.004 203 HG12 VAL 25 HG12 VAL 25 12.590 -0.181 3.904 204 HG13 VAL 25 HG13 VAL 25 13.991 0.886 4.009 205 HG21 VAL 25 HG21 VAL 25 13.873 2.989 5.292 206 HG22 VAL 25 HG22 VAL 25 12.368 3.481 6.071 207 HG23 VAL 25 HG23 VAL 25 12.507 3.536 4.317 208 H GLU 26 HN GLU 26 9.803 3.729 5.816 209 HA GLU 26 HA GLU 26 9.450 2.969 8.551 210 HB2 GLU 26 HB2 GLU 26 9.781 5.340 7.743 211 HB3 GLU 26 HB1 GLU 26 8.140 5.295 7.119 212 HG2 GLU 26 HG2 GLU 26 8.170 6.442 9.238 213 HG3 GLU 26 HG1 GLU 26 7.304 4.916 9.408 214 H ILE 27 HN ILE 27 7.525 2.823 5.718 215 HA ILE 27 HA ILE 27 4.949 2.373 6.933 216 HB ILE 27 HB ILE 27 6.075 1.905 4.165 217 HG12 ILE 27 HG12 ILE 27 4.058 3.901 5.203 218 HG13 ILE 27 HG11 ILE 27 5.738 4.229 4.799 219 HG21 ILE 27 HG21 ILE 27 3.825 1.427 3.343 220 HG22 ILE 27 HG22 ILE 27 3.219 1.426 4.997 221 HG23 ILE 27 HG23 ILE 27 4.381 0.201 4.484 222 HD11 ILE 27 HD11 ILE 27 4.222 4.983 3.056 223 HD12 ILE 27 HD12 ILE 27 3.619 3.327 2.860 224 HD13 ILE 27 HD13 ILE 27 5.309 3.716 2.493 225 H LEU 28 HN LEU 28 7.577 0.301 5.968 226 HA LEU 28 HA LEU 28 6.348 -2.142 5.867 227 HB2 LEU 28 HB2 LEU 28 9.121 -1.536 6.878 228 HB3 LEU 28 HB1 LEU 28 8.541 -3.158 6.544 229 HG LEU 28 HG LEU 28 8.717 -0.955 4.480 230 HD11 LEU 28 HD11 LEU 28 10.939 -1.648 5.290 231 HD12 LEU 28 HD12 LEU 28 10.644 -2.130 3.621 232 HD13 LEU 28 HD13 LEU 28 10.528 -3.325 4.911 233 HD21 LEU 28 HD21 LEU 28 7.015 -2.639 3.994 234 HD22 LEU 28 HD22 LEU 28 8.210 -3.913 4.244 235 HD23 LEU 28 HD23 LEU 28 8.390 -2.793 2.900 236 HA PRO 29 HA PRO 29 6.750 -3.134 10.577 237 HB2 PRO 29 HB2 PRO 29 7.086 -1.081 12.324 238 HB3 PRO 29 HB1 PRO 29 8.434 -1.992 11.635 239 HG2 PRO 29 HG2 PRO 29 7.316 0.652 10.787 240 HG3 PRO 29 HG1 PRO 29 9.010 0.173 10.996 241 HD2 PRO 29 HD2 PRO 29 7.871 0.267 8.572 242 HD3 PRO 29 HD1 PRO 29 9.072 -0.970 8.995 243 H TYR 30 HN TYR 30 5.073 -0.547 9.195 244 HA TYR 30 HA TYR 30 3.023 -0.398 11.238 245 HB2 TYR 30 HB2 TYR 30 3.684 1.075 8.770 246 HB3 TYR 30 HB1 TYR 30 2.020 1.167 9.255 247 HD1 TYR 30 HD2 TYR 30 5.453 2.075 10.014 248 HD2 TYR 30 HD1 TYR 30 1.434 2.341 11.331 249 HE1 TYR 30 HE2 TYR 30 6.093 3.855 11.564 250 HE2 TYR 30 HE1 TYR 30 2.055 4.127 12.896 251 HH TYR 30 HH TYR 30 5.169 5.621 12.815 252 H LEU 31 HN LEU 31 3.680 -2.236 8.470 253 HA LEU 31 HA LEU 31 0.872 -2.932 8.185 254 HB2 LEU 31 HB2 LEU 31 3.181 -3.039 6.284 255 HB3 LEU 31 HB1 LEU 31 1.760 -4.018 6.029 256 HG LEU 31 HG LEU 31 0.378 -1.987 5.797 257 HD11 LEU 31 HD11 LEU 31 1.326 0.187 5.676 258 HD12 LEU 31 HD12 LEU 31 2.882 -0.457 6.214 259 HD13 LEU 31 HD13 LEU 31 1.483 -0.518 7.284 260 HD21 LEU 31 HD21 LEU 31 2.859 -1.890 4.122 261 HD22 LEU 31 HD22 LEU 31 1.287 -1.192 3.712 262 HD23 LEU 31 HD23 LEU 31 1.475 -2.940 3.850 263 HA PRO 32 HA PRO 32 2.448 -6.749 10.104 264 HB2 PRO 32 HB2 PRO 32 0.155 -7.456 11.309 265 HB3 PRO 32 HB1 PRO 32 1.184 -6.189 11.986 266 HG2 PRO 32 HG2 PRO 32 -1.319 -5.942 10.371 267 HG3 PRO 32 HG1 PRO 32 -0.808 -5.006 11.787 268 HD2 PRO 32 HD2 PRO 32 -0.573 -4.142 9.191 269 HD3 PRO 32 HD1 PRO 32 0.454 -3.570 10.517 270 H CYS 33 HN CYS 33 0.409 -6.016 7.678 271 HA CYS 33 HA CYS 33 -0.789 -8.552 7.092 272 HB2 CYS 33 HB2 CYS 33 -0.321 -6.226 5.222 273 HB3 CYS 33 HB1 CYS 33 -1.565 -7.470 5.102 274 HG CYS 33 HG CYS 33 -3.360 -6.060 6.272 275 H LEU 34 HN LEU 34 2.231 -6.975 6.515 276 HA LEU 34 HA LEU 34 2.987 -8.620 4.282 277 HB2 LEU 34 HB2 LEU 34 4.474 -6.619 5.901 278 HB3 LEU 34 HB1 LEU 34 5.108 -7.465 4.504 279 HG LEU 34 HG LEU 34 2.845 -5.476 4.545 280 HD11 LEU 34 HD11 LEU 34 4.348 -4.274 3.081 281 HD12 LEU 34 HD12 LEU 34 5.463 -5.654 3.258 282 HD13 LEU 34 HD13 LEU 34 5.096 -4.641 4.667 283 HD21 LEU 34 HD21 LEU 34 3.869 -7.173 2.256 284 HD22 LEU 34 HD22 LEU 34 2.783 -5.798 2.099 285 HD23 LEU 34 HD23 LEU 34 2.253 -7.234 2.969 286 H THR 35 HN THR 35 4.259 -10.437 4.412 287 HA THR 35 HA THR 35 4.648 -11.735 6.870 288 HB THR 35 HB THR 35 6.049 -12.374 4.302 289 HG1 THR 35 HG1 THR 35 4.067 -11.970 3.482 290 HG21 THR 35 HG21 THR 35 5.389 -14.647 4.915 291 HG22 THR 35 HG22 THR 35 4.528 -13.979 6.314 292 HG23 THR 35 HG23 THR 35 6.294 -13.847 6.214 293 H ALA 36 HN ALA 36 6.905 -12.435 7.539 294 HA ALA 36 HA ALA 36 8.642 -10.322 8.011 295 HB1 ALA 36 HB1 ALA 36 9.325 -13.263 7.926 296 HB2 ALA 36 HB2 ALA 36 8.661 -12.405 9.316 297 HB3 ALA 36 HB3 ALA 36 10.274 -12.009 8.724 298 H ARG 37 HN ARG 37 8.851 -12.843 5.543 299 HA ARG 37 HA ARG 37 11.245 -11.890 4.416 300 HB2 ARG 37 HB2 ARG 37 10.538 -14.200 4.093 301 HB3 ARG 37 HB1 ARG 37 9.128 -13.671 3.200 302 HG2 ARG 37 HG2 ARG 37 10.501 -12.866 1.389 303 HG3 ARG 37 HG1 ARG 37 11.968 -13.185 2.315 304 HD2 ARG 37 HD2 ARG 37 9.980 -15.277 1.466 305 HD3 ARG 37 HD1 ARG 37 11.480 -14.921 0.609 306 HE ARG 37 HE ARG 37 12.304 -15.393 3.136 307 HH11 ARG 37 HH11 ARG 37 10.375 -17.302 0.848 308 HH12 ARG 37 HH12 ARG 37 10.851 -18.807 1.472 309 HH21 ARG 37 HH21 ARG 37 12.995 -17.466 3.956 310 HH22 ARG 37 HH22 ARG 37 12.375 -18.907 3.304 311 H ASP 38 HN ASP 38 7.870 -11.160 3.711 312 HA ASP 38 HA ASP 38 8.213 -9.695 1.325 313 HB2 ASP 38 HB2 ASP 38 6.226 -9.116 3.551 314 HB3 ASP 38 HB1 ASP 38 6.160 -8.399 1.954 315 H GLN 39 HN GLN 39 8.143 -8.605 4.666 316 HA GLN 39 HA GLN 39 8.729 -5.897 4.240 317 HB2 GLN 39 HB2 GLN 39 9.271 -7.645 6.644 318 HB3 GLN 39 HB1 GLN 39 9.382 -5.891 6.643 319 HG2 GLN 39 HG2 GLN 39 7.042 -5.668 6.258 320 HG3 GLN 39 HG1 GLN 39 6.877 -7.393 5.952 321 HE21 GLN 39 HE21 GLN 39 6.880 -8.792 7.628 322 HE22 GLN 39 HE22 GLN 39 6.685 -8.332 9.276 323 H ASP 40 HN ASP 40 10.800 -8.649 4.843 324 HA ASP 40 HA ASP 40 13.264 -7.271 5.046 325 HB2 ASP 40 HB2 ASP 40 12.921 -9.611 5.792 326 HB3 ASP 40 HB1 ASP 40 12.787 -10.104 4.113 327 H ARG 41 HN ARG 41 11.705 -8.919 2.335 328 HA ARG 41 HA ARG 41 13.627 -8.431 0.369 329 HB2 ARG 41 HB2 ARG 41 11.865 -10.049 0.032 330 HB3 ARG 41 HB1 ARG 41 10.644 -8.803 0.162 331 HG2 ARG 41 HG2 ARG 41 11.379 -7.791 -1.897 332 HG3 ARG 41 HG1 ARG 41 12.702 -8.948 -2.033 333 HD2 ARG 41 HD2 ARG 41 9.769 -9.642 -2.031 334 HD3 ARG 41 HD1 ARG 41 10.792 -9.551 -3.466 335 HE ARG 41 HE ARG 41 11.830 -11.289 -1.462 336 HH11 ARG 41 HH11 ARG 41 9.580 -11.146 -4.172 337 HH12 ARG 41 HH12 ARG 41 9.644 -12.810 -4.482 338 HH21 ARG 41 HH21 ARG 41 11.988 -13.523 -1.916 339 HH22 ARG 41 HH22 ARG 41 11.045 -14.214 -3.165 340 H LEU 42 HN LEU 42 10.732 -6.608 1.230 341 HA LEU 42 HA LEU 42 11.081 -4.603 -0.686 342 HB2 LEU 42 HB2 LEU 42 9.656 -4.532 1.969 343 HB3 LEU 42 HB1 LEU 42 9.554 -3.257 0.768 344 HG LEU 42 HG LEU 42 8.673 -6.110 0.281 345 HD11 LEU 42 HD11 LEU 42 6.399 -5.258 0.451 346 HD12 LEU 42 HD12 LEU 42 7.027 -3.676 0.919 347 HD13 LEU 42 HD13 LEU 42 7.275 -5.069 1.971 348 HD21 LEU 42 HD21 LEU 42 9.313 -4.883 -1.748 349 HD22 LEU 42 HD22 LEU 42 8.196 -3.585 -1.304 350 HD23 LEU 42 HD23 LEU 42 7.579 -5.180 -1.681 351 H ARG 43 HN ARG 43 12.235 -4.819 2.660 352 HA ARG 43 HA ARG 43 13.440 -2.262 2.669 353 HB2 ARG 43 HB2 ARG 43 13.013 -3.514 4.723 354 HB3 ARG 43 HB1 ARG 43 14.237 -4.689 4.251 355 HG2 ARG 43 HG2 ARG 43 15.965 -3.035 4.385 356 HG3 ARG 43 HG1 ARG 43 14.782 -1.760 4.679 357 HD2 ARG 43 HD2 ARG 43 14.164 -2.751 6.757 358 HD3 ARG 43 HD1 ARG 43 15.184 -4.147 6.379 359 HE ARG 43 HE ARG 43 16.993 -2.243 6.334 360 HH11 ARG 43 HH11 ARG 43 14.390 -2.628 8.734 361 HH12 ARG 43 HH12 ARG 43 15.264 -1.950 10.001 362 HH21 ARG 43 HH21 ARG 43 18.200 -1.306 8.123 363 HH22 ARG 43 HH22 ARG 43 17.477 -1.207 9.651 364 H ALA 44 HN ALA 44 14.663 -5.435 1.719 365 HA ALA 44 HA ALA 44 17.326 -4.729 1.237 366 HB1 ALA 44 HB1 ALA 44 16.514 -7.066 1.262 367 HB2 ALA 44 HB2 ALA 44 17.420 -6.699 -0.203 368 HB3 ALA 44 HB3 ALA 44 15.660 -6.762 -0.247 369 H THR 45 HN THR 45 14.611 -4.886 -0.987 370 HA THR 45 HA THR 45 15.941 -3.965 -3.266 371 HB THR 45 HB THR 45 13.003 -3.686 -2.609 372 HG1 THR 45 HG1 THR 45 13.376 -5.792 -2.280 373 HG21 THR 45 HG21 THR 45 12.744 -4.015 -5.052 374 HG22 THR 45 HG22 THR 45 14.506 -4.039 -5.212 375 HG23 THR 45 HG23 THR 45 13.692 -2.579 -4.680 376 H CYS 46 HN CYS 46 14.156 -2.230 -0.744 377 HA CYS 46 HA CYS 46 14.090 0.316 -1.923 378 HB2 CYS 46 HB2 CYS 46 12.873 -0.630 0.121 379 HB3 CYS 46 HB1 CYS 46 14.318 -0.269 1.014 380 HG CYS 46 HG CYS 46 14.069 2.541 -0.072 381 H THR 47 HN THR 47 16.422 -1.350 -0.024 382 HA THR 47 HA THR 47 18.222 0.887 0.262 383 HB THR 47 HB THR 47 18.721 -2.061 0.839 384 HG1 THR 47 HG1 THR 47 17.009 -1.447 2.087 385 HG21 THR 47 HG21 THR 47 20.774 -0.684 0.781 386 HG22 THR 47 HG22 THR 47 20.414 -1.223 2.422 387 HG23 THR 47 HG23 THR 47 20.051 0.434 1.938 388 H LEU 48 HN LEU 48 17.686 -1.621 -2.037 389 HA LEU 48 HA LEU 48 20.341 -1.448 -3.213 390 HB2 LEU 48 HB2 LEU 48 17.966 -3.173 -3.842 391 HB3 LEU 48 HB1 LEU 48 19.421 -3.210 -4.799 392 HG LEU 48 HG LEU 48 19.199 -3.945 -1.874 393 HD11 LEU 48 HD11 LEU 48 19.619 -6.225 -2.655 394 HD12 LEU 48 HD12 LEU 48 19.570 -5.658 -4.324 395 HD13 LEU 48 HD13 LEU 48 18.124 -5.567 -3.316 396 HD21 LEU 48 HD21 LEU 48 21.555 -4.113 -3.758 397 HD22 LEU 48 HD22 LEU 48 21.497 -4.776 -2.129 398 HD23 LEU 48 HD23 LEU 48 21.405 -3.033 -2.370 399 H SER 49 HN SER 49 17.058 -1.335 -4.681 400 HA SER 49 HA SER 49 18.187 0.166 -6.854 401 HB2 SER 49 HB2 SER 49 15.835 -0.143 -7.795 402 HB3 SER 49 HB1 SER 49 16.735 -1.633 -7.491 403 HG SER 49 HG SER 49 14.601 -1.761 -6.708 404 H GLY 50 HN GLY 50 15.481 0.519 -4.565 405 HA2 GLY 50 HA2 GLY 50 15.893 2.834 -3.475 406 HA3 GLY 50 HA1 GLY 50 15.432 3.340 -5.102 407 H ASN 51 HN ASN 51 13.752 4.306 -3.610 408 HA ASN 51 HA ASN 51 11.795 2.741 -2.419 409 HB2 ASN 51 HB2 ASN 51 12.025 5.603 -3.220 410 HB3 ASN 51 HB1 ASN 51 10.488 4.940 -2.708 411 HD21 ASN 51 HD21 ASN 51 10.350 6.125 -0.893 412 HD22 ASN 51 HD22 ASN 51 11.456 5.971 0.397 413 H ARG 52 HN ARG 52 11.961 4.435 -5.483 414 HA ARG 52 HA ARG 52 9.323 4.127 -6.281 415 HB2 ARG 52 HB2 ARG 52 10.850 5.676 -7.349 416 HB3 ARG 52 HB1 ARG 52 11.813 4.355 -7.975 417 HG2 ARG 52 HG2 ARG 52 9.878 3.665 -9.371 418 HG3 ARG 52 HG1 ARG 52 8.992 5.065 -8.755 419 HD2 ARG 52 HD2 ARG 52 9.944 5.553 -10.930 420 HD3 ARG 52 HD1 ARG 52 10.689 6.551 -9.687 421 HE ARG 52 HE ARG 52 12.263 4.308 -9.941 422 HH11 ARG 52 HH11 ARG 52 11.308 6.941 -12.117 423 HH12 ARG 52 HH12 ARG 52 12.764 6.916 -12.993 424 HH21 ARG 52 HH21 ARG 52 14.243 4.322 -11.103 425 HH22 ARG 52 HH22 ARG 52 14.490 5.392 -12.400 426 H ASP 53 HN ASP 53 12.073 2.017 -7.061 427 HA ASP 53 HA ASP 53 10.572 0.130 -8.580 428 HB2 ASP 53 HB2 ASP 53 13.022 0.246 -8.761 429 HB3 ASP 53 HB1 ASP 53 13.177 -0.237 -7.081 430 H THR 54 HN THR 54 11.335 0.416 -5.210 431 HA THR 54 HA THR 54 10.325 -2.115 -4.456 432 HB THR 54 HB THR 54 10.850 0.342 -2.757 433 HG1 THR 54 HG1 THR 54 12.768 -0.192 -3.628 434 HG21 THR 54 HG21 THR 54 9.484 -1.435 -1.641 435 HG22 THR 54 HG22 THR 54 11.074 -1.216 -0.911 436 HG23 THR 54 HG23 THR 54 10.781 -2.585 -1.982 437 H LEU 55 HN LEU 55 8.906 1.085 -4.817 438 HA LEU 55 HA LEU 55 6.537 0.715 -3.380 439 HB2 LEU 55 HB2 LEU 55 6.923 2.348 -5.894 440 HB3 LEU 55 HB1 LEU 55 5.540 2.474 -4.823 441 HG LEU 55 HG LEU 55 8.397 3.194 -4.144 442 HD11 LEU 55 HD11 LEU 55 7.197 4.827 -5.627 443 HD12 LEU 55 HD12 LEU 55 7.564 5.457 -4.007 444 HD13 LEU 55 HD13 LEU 55 5.950 4.949 -4.368 445 HD21 LEU 55 HD21 LEU 55 5.927 3.556 -2.534 446 HD22 LEU 55 HD22 LEU 55 7.589 4.032 -2.131 447 HD23 LEU 55 HD23 LEU 55 7.164 2.314 -2.243 448 H TRP 56 HN TRP 56 7.275 -0.133 -6.756 449 HA TRP 56 HA TRP 56 4.726 -1.061 -7.359 450 HB2 TRP 56 HB2 TRP 56 7.432 -1.715 -8.485 451 HB3 TRP 56 HB1 TRP 56 5.962 -2.454 -9.089 452 HD1 TRP 56 HD1 TRP 56 8.170 0.324 -9.880 453 HE1 TRP 56 HE1 TRP 56 6.945 2.083 -11.350 454 HE3 TRP 56 HE3 TRP 56 3.419 -1.191 -9.113 455 HZ2 TRP 56 HZ2 TRP 56 4.280 2.734 -12.048 456 HZ3 TRP 56 HZ3 TRP 56 1.542 0.037 -10.198 457 HH2 TRP 56 HH2 TRP 56 1.986 1.964 -11.635 458 H HIS 57 HN HIS 57 7.550 -2.685 -6.055 459 HA HIS 57 HA HIS 57 6.435 -5.279 -5.923 460 HB2 HIS 57 HB2 HIS 57 8.726 -3.995 -4.434 461 HB3 HIS 57 HB1 HIS 57 8.264 -5.676 -4.187 462 HD1 HIS 57 HD1 HIS 57 9.837 -3.389 -6.811 463 HD2 HIS 57 HD2 HIS 57 9.003 -7.420 -6.154 464 HE1 HIS 57 HE1 HIS 57 11.028 -4.648 -8.587 465 H LEU 58 HN LEU 58 6.565 -2.639 -3.653 466 HA LEU 58 HA LEU 58 5.543 -3.754 -1.346 467 HB2 LEU 58 HB2 LEU 58 6.486 -1.537 -1.460 468 HB3 LEU 58 HB1 LEU 58 5.240 -1.007 -2.542 469 HG LEU 58 HG LEU 58 3.591 -1.241 -0.662 470 HD11 LEU 58 HD11 LEU 58 6.049 -1.689 1.013 471 HD12 LEU 58 HD12 LEU 58 4.781 -2.874 0.688 472 HD13 LEU 58 HD13 LEU 58 4.413 -1.422 1.618 473 HD21 LEU 58 HD21 LEU 58 5.935 0.622 -0.225 474 HD22 LEU 58 HD22 LEU 58 4.361 0.778 0.543 475 HD23 LEU 58 HD23 LEU 58 4.506 0.927 -1.205 476 H PHE 59 HN PHE 59 3.709 -1.881 -3.723 477 HA PHE 59 HA PHE 59 1.208 -2.636 -2.672 478 HB2 PHE 59 HB2 PHE 59 1.956 -1.373 -5.292 479 HB3 PHE 59 HB1 PHE 59 0.291 -1.774 -4.879 480 HD1 PHE 59 HD2 PHE 59 3.220 0.204 -3.758 481 HD2 PHE 59 HD1 PHE 59 -0.986 -0.370 -3.541 482 HE1 PHE 59 HE2 PHE 59 2.997 2.322 -2.537 483 HE2 PHE 59 HE1 PHE 59 -1.217 1.745 -2.317 484 HZ PHE 59 HZ PHE 59 0.776 3.098 -1.820 485 H ASN 60 HN ASN 60 3.176 -4.106 -5.109 486 HA ASN 60 HA ASN 60 1.262 -5.861 -6.249 487 HB2 ASN 60 HB2 ASN 60 3.446 -5.481 -7.299 488 HB3 ASN 60 HB1 ASN 60 4.255 -6.197 -5.915 489 HD21 ASN 60 HD21 ASN 60 4.329 -8.440 -5.723 490 HD22 ASN 60 HD22 ASN 60 3.853 -9.475 -7.013 491 H THR 61 HN THR 61 3.320 -6.135 -3.439 492 HA THR 61 HA THR 61 2.472 -8.850 -2.974 493 HB THR 61 HB THR 61 4.179 -7.081 -1.214 494 HG1 THR 61 HG1 THR 61 5.267 -7.100 -3.069 495 HG21 THR 61 HG21 THR 61 4.029 -10.087 -1.571 496 HG22 THR 61 HG22 THR 61 3.362 -9.188 -0.209 497 HG23 THR 61 HG23 THR 61 5.105 -9.229 -0.467 498 H LEU 62 HN LEU 62 1.855 -5.575 -1.665 499 HA LEU 62 HA LEU 62 0.671 -6.300 0.692 500 HB2 LEU 62 HB2 LEU 62 1.669 -4.169 0.182 501 HB3 LEU 62 HB1 LEU 62 0.473 -3.887 -1.063 502 HG LEU 62 HG LEU 62 -1.219 -3.866 0.523 503 HD11 LEU 62 HD11 LEU 62 1.033 -4.289 2.491 504 HD12 LEU 62 HD12 LEU 62 -0.440 -5.252 2.319 505 HD13 LEU 62 HD13 LEU 62 -0.512 -3.631 3.012 506 HD21 LEU 62 HD21 LEU 62 -0.650 -1.690 1.611 507 HD22 LEU 62 HD22 LEU 62 -0.229 -1.766 -0.102 508 HD23 LEU 62 HD23 LEU 62 1.026 -1.944 1.124 509 H GLN 63 HN GLN 63 -0.648 -5.737 -2.548 510 HA GLN 63 HA GLN 63 -3.391 -5.794 -1.824 511 HB2 GLN 63 HB2 GLN 63 -3.831 -6.098 -4.204 512 HB3 GLN 63 HB1 GLN 63 -2.561 -4.905 -3.977 513 HG2 GLN 63 HG2 GLN 63 -0.886 -6.658 -4.454 514 HG3 GLN 63 HG1 GLN 63 -2.190 -7.783 -4.798 515 HE21 GLN 63 HE21 GLN 63 -0.432 -5.069 -5.830 516 HE22 GLN 63 HE22 GLN 63 -1.014 -5.018 -7.463 517 H ARG 64 HN ARG 64 -1.052 -8.222 -1.988 518 HA ARG 64 HA ARG 64 -2.922 -10.406 -2.435 519 HB2 ARG 64 HB2 ARG 64 0.077 -10.310 -2.165 520 HB3 ARG 64 HB1 ARG 64 -0.840 -11.797 -2.364 521 HG2 ARG 64 HG2 ARG 64 -1.622 -11.066 -4.532 522 HG3 ARG 64 HG1 ARG 64 -0.827 -9.508 -4.321 523 HD2 ARG 64 HD2 ARG 64 0.459 -11.039 -5.757 524 HD3 ARG 64 HD1 ARG 64 1.339 -10.565 -4.307 525 HE ARG 64 HE ARG 64 0.002 -12.929 -3.744 526 HH11 ARG 64 HH11 ARG 64 2.582 -11.887 -5.942 527 HH12 ARG 64 HH12 ARG 64 3.376 -13.397 -5.902 528 HH21 ARG 64 HH21 ARG 64 1.123 -14.956 -3.707 529 HH22 ARG 64 HH22 ARG 64 2.543 -15.166 -4.614 530 H ARG 65 HN ARG 65 -2.198 -8.528 0.047 531 HA ARG 65 HA ARG 65 -2.387 -10.705 1.993 532 HB2 ARG 65 HB2 ARG 65 -1.350 -7.889 2.496 533 HB3 ARG 65 HB1 ARG 65 -1.313 -9.240 3.614 534 HG2 ARG 65 HG2 ARG 65 0.321 -8.964 1.082 535 HG3 ARG 65 HG1 ARG 65 0.906 -8.804 2.734 536 HD2 ARG 65 HD2 ARG 65 0.360 -11.159 3.152 537 HD3 ARG 65 HD1 ARG 65 -0.242 -11.307 1.505 538 HE ARG 65 HE ARG 65 2.589 -10.597 2.018 539 HH11 ARG 65 HH11 ARG 65 0.212 -12.740 0.519 540 HH12 ARG 65 HH12 ARG 65 1.332 -13.685 -0.305 541 HH21 ARG 65 HH21 ARG 65 4.189 -11.878 0.912 542 HH22 ARG 65 HH22 ARG 65 3.719 -13.217 -0.017 543 HA PRO 66 HA PRO 66 -6.547 -8.815 1.698 544 HB2 PRO 66 HB2 PRO 66 -7.075 -10.953 3.685 545 HB3 PRO 66 HB1 PRO 66 -7.948 -10.562 2.200 546 HG2 PRO 66 HG2 PRO 66 -6.364 -12.680 2.292 547 HG3 PRO 66 HG1 PRO 66 -6.396 -11.647 0.847 548 HD2 PRO 66 HD2 PRO 66 -4.371 -11.782 3.045 549 HD3 PRO 66 HD1 PRO 66 -4.131 -11.614 1.292 550 H GLY 67 HN GLY 67 -7.200 -7.134 2.772 551 HA2 GLY 67 HA2 GLY 67 -7.864 -5.809 4.557 552 HA3 GLY 67 HA1 GLY 67 -7.311 -7.079 5.651 553 H TRP 68 HN TRP 68 -6.199 -4.498 3.537 554 HA TRP 68 HA TRP 68 -3.798 -4.289 5.206 555 HB2 TRP 68 HB2 TRP 68 -2.550 -3.686 3.170 556 HB3 TRP 68 HB1 TRP 68 -3.109 -5.353 3.187 557 HD1 TRP 68 HD1 TRP 68 -4.840 -6.054 1.276 558 HE1 TRP 68 HE1 TRP 68 -5.574 -4.948 -0.925 559 HE3 TRP 68 HE3 TRP 68 -3.046 -1.315 2.076 560 HZ2 TRP 68 HZ2 TRP 68 -5.424 -2.406 -2.170 561 HZ3 TRP 68 HZ3 TRP 68 -3.395 0.385 0.316 562 HH2 TRP 68 HH2 TRP 68 -4.552 -0.160 -1.749 563 H VAL 69 HN VAL 69 -6.486 -2.635 3.987 564 HA VAL 69 HA VAL 69 -5.168 -0.262 3.120 565 HB VAL 69 HB VAL 69 -8.104 -0.611 3.757 566 HG11 VAL 69 HG11 VAL 69 -6.673 1.454 2.081 567 HG12 VAL 69 HG12 VAL 69 -7.411 1.726 3.659 568 HG13 VAL 69 HG13 VAL 69 -8.422 1.318 2.274 569 HG21 VAL 69 HG21 VAL 69 -7.378 -2.219 2.069 570 HG22 VAL 69 HG22 VAL 69 -6.641 -0.919 1.133 571 HG23 VAL 69 HG23 VAL 69 -8.391 -0.971 1.343 572 H GLU 70 HN GLU 70 -7.017 -1.107 6.005 573 HA GLU 70 HA GLU 70 -7.069 1.408 7.178 574 HB2 GLU 70 HB2 GLU 70 -6.908 -1.097 8.825 575 HB3 GLU 70 HB1 GLU 70 -7.878 0.343 9.051 576 HG2 GLU 70 HG2 GLU 70 -9.472 -1.219 8.474 577 HG3 GLU 70 HG1 GLU 70 -9.127 -0.456 6.921 578 H TYR 71 HN TYR 71 -4.793 -1.258 7.374 579 HA TYR 71 HA TYR 71 -3.142 -0.226 9.403 580 HB2 TYR 71 HB2 TYR 71 -2.506 -2.213 7.219 581 HB3 TYR 71 HB1 TYR 71 -1.648 -2.001 8.738 582 HD1 TYR 71 HD1 TYR 71 -2.589 -2.850 10.829 583 HD2 TYR 71 HD2 TYR 71 -4.652 -3.337 7.143 584 HE1 TYR 71 HE1 TYR 71 -4.056 -4.527 11.869 585 HE2 TYR 71 HE2 TYR 71 -6.112 -5.008 8.169 586 HH TYR 71 HH TYR 71 -6.111 -6.519 9.997 587 H PHE 72 HN PHE 72 -3.198 -0.100 5.900 588 HA PHE 72 HA PHE 72 -0.704 1.133 5.548 589 HB2 PHE 72 HB2 PHE 72 -1.917 -0.134 3.786 590 HB3 PHE 72 HB1 PHE 72 -3.115 1.147 3.718 591 HD1 PHE 72 HD1 PHE 72 0.588 0.753 3.523 592 HD2 PHE 72 HD2 PHE 72 -2.897 2.653 1.997 593 HE1 PHE 72 HE1 PHE 72 1.955 1.869 1.817 594 HE2 PHE 72 HE2 PHE 72 -1.532 3.781 0.287 595 HZ PHE 72 HZ PHE 72 0.899 3.392 0.204 596 H ILE 73 HN ILE 73 -3.993 2.410 5.933 597 HA ILE 73 HA ILE 73 -3.477 5.144 5.483 598 HB ILE 73 HB ILE 73 -5.325 4.038 7.624 599 HG12 ILE 73 HG12 ILE 73 -5.946 3.027 5.517 600 HG13 ILE 73 HG11 ILE 73 -7.148 4.237 5.945 601 HG21 ILE 73 HG21 ILE 73 -6.600 6.122 7.349 602 HG22 ILE 73 HG22 ILE 73 -5.368 6.706 6.227 603 HG23 ILE 73 HG23 ILE 73 -4.952 6.403 7.914 604 HD11 ILE 73 HD11 ILE 73 -4.948 4.525 3.918 605 HD12 ILE 73 HD12 ILE 73 -6.110 5.785 4.344 606 HD13 ILE 73 HD13 ILE 73 -6.666 4.284 3.594 607 H ALA 74 HN ALA 74 -3.173 3.185 8.359 608 HA ALA 74 HA ALA 74 -2.340 5.232 10.105 609 HB1 ALA 74 HB1 ALA 74 -1.905 2.259 10.307 610 HB2 ALA 74 HB2 ALA 74 -3.309 3.138 10.909 611 HB3 ALA 74 HB3 ALA 74 -1.718 3.414 11.625 612 H ALA 75 HN ALA 75 -0.680 3.220 7.829 613 HA ALA 75 HA ALA 75 1.944 3.524 8.792 614 HB1 ALA 75 HB1 ALA 75 2.656 2.765 6.604 615 HB2 ALA 75 HB2 ALA 75 1.047 3.064 5.952 616 HB3 ALA 75 HB3 ALA 75 1.285 1.796 7.142 617 H LEU 76 HN LEU 76 0.248 5.282 6.082 618 HA LEU 76 HA LEU 76 2.260 7.108 5.660 619 HB2 LEU 76 HB2 LEU 76 -0.698 7.224 5.260 620 HB3 LEU 76 HB1 LEU 76 0.363 8.526 4.779 621 HG LEU 76 HG LEU 76 -0.186 7.325 2.929 622 HD11 LEU 76 HD11 LEU 76 1.946 6.477 2.078 623 HD12 LEU 76 HD12 LEU 76 2.572 6.451 3.722 624 HD13 LEU 76 HD13 LEU 76 2.129 7.987 2.970 625 HD21 LEU 76 HD21 LEU 76 -0.990 5.290 3.824 626 HD22 LEU 76 HD22 LEU 76 0.649 4.787 4.268 627 HD23 LEU 76 HD23 LEU 76 0.194 4.949 2.568 628 H ARG 77 HN ARG 77 -0.569 7.311 7.764 629 HA ARG 77 HA ARG 77 -0.048 9.982 8.530 630 HB2 ARG 77 HB2 ARG 77 -2.253 8.832 8.656 631 HB3 ARG 77 HB1 ARG 77 -1.649 7.902 10.008 632 HG2 ARG 77 HG2 ARG 77 -1.446 9.875 11.368 633 HG3 ARG 77 HG1 ARG 77 -1.871 10.907 10.000 634 HD2 ARG 77 HD2 ARG 77 -3.783 10.559 11.502 635 HD3 ARG 77 HD1 ARG 77 -4.080 9.894 9.898 636 HE ARG 77 HE ARG 77 -2.984 7.937 11.599 637 HH11 ARG 77 HH11 ARG 77 -6.063 9.576 10.920 638 HH12 ARG 77 HH12 ARG 77 -7.025 8.342 11.563 639 HH21 ARG 77 HH21 ARG 77 -4.261 6.300 12.512 640 HH22 ARG 77 HH22 ARG 77 -5.964 6.387 12.516 641 H GLY 78 HN GLY 78 1.009 6.898 9.741 642 HA2 GLY 78 HA2 GLY 78 2.082 7.811 12.206 643 HA3 GLY 78 HA1 GLY 78 2.464 6.296 11.398 644 H CYS 79 HN CYS 79 3.355 7.671 8.930 645 HA CYS 79 HA CYS 79 5.969 8.473 9.934 646 HB2 CYS 79 HB2 CYS 79 6.702 8.197 7.535 647 HB3 CYS 79 HB1 CYS 79 6.110 6.732 8.304 648 HG CYS 79 HG CYS 79 3.848 6.514 6.968 649 H GLU 80 HN GLU 80 3.395 10.088 9.698 650 HA GLU 80 HA GLU 80 2.872 12.245 9.635 651 HB2 GLU 80 HB2 GLU 80 5.803 12.650 9.096 652 HB3 GLU 80 HB1 GLU 80 4.670 13.985 9.241 653 HG2 GLU 80 HG2 GLU 80 5.271 11.929 11.358 654 HG3 GLU 80 HG1 GLU 80 5.840 13.600 11.325 655 H LEU 81 HN LEU 81 3.175 10.519 7.104 656 HA LEU 81 HA LEU 81 2.951 12.688 5.201 657 HB2 LEU 81 HB2 LEU 81 2.907 9.699 4.719 658 HB3 LEU 81 HB1 LEU 81 2.916 10.930 3.471 659 HG LEU 81 HG LEU 81 5.159 10.355 5.411 660 HD11 LEU 81 HD11 LEU 81 4.943 8.655 3.691 661 HD12 LEU 81 HD12 LEU 81 6.390 9.626 3.442 662 HD13 LEU 81 HD13 LEU 81 4.964 9.899 2.443 663 HD21 LEU 81 HD21 LEU 81 5.068 12.730 4.897 664 HD22 LEU 81 HD22 LEU 81 5.006 12.373 3.170 665 HD23 LEU 81 HD23 LEU 81 6.451 11.980 4.100 666 H VAL 82 HN VAL 82 1.074 13.444 6.207 667 HA VAL 82 HA VAL 82 -1.198 11.755 6.592 668 HB VAL 82 HB VAL 82 -1.019 14.780 6.778 669 HG11 VAL 82 HG11 VAL 82 -3.331 14.033 6.492 670 HG12 VAL 82 HG12 VAL 82 -3.064 14.637 8.128 671 HG13 VAL 82 HG13 VAL 82 -3.137 12.901 7.829 672 HG21 VAL 82 HG21 VAL 82 -0.856 12.669 8.926 673 HG22 VAL 82 HG22 VAL 82 -0.852 14.413 9.192 674 HG23 VAL 82 HG23 VAL 82 0.484 13.648 8.333 675 H ASP 83 HN ASP 83 -0.095 13.855 4.089 676 HA ASP 83 HA ASP 83 -2.467 14.326 2.662 677 HB2 ASP 83 HB2 ASP 83 0.341 13.925 1.629 678 HB3 ASP 83 HB1 ASP 83 -0.998 14.391 0.596 679 H LEU 84 HN LEU 84 -0.173 11.701 2.382 680 HA LEU 84 HA LEU 84 -1.665 10.358 0.416 681 HB2 LEU 84 HB2 LEU 84 0.649 9.521 2.112 682 HB3 LEU 84 HB1 LEU 84 -0.091 8.445 0.939 683 HG LEU 84 HG LEU 84 1.046 11.145 0.200 684 HD11 LEU 84 HD11 LEU 84 2.960 9.917 -0.677 685 HD12 LEU 84 HD12 LEU 84 2.307 8.417 -0.018 686 HD13 LEU 84 HD13 LEU 84 2.819 9.713 1.068 687 HD21 LEU 84 HD21 LEU 84 -0.644 10.233 -1.341 688 HD22 LEU 84 HD22 LEU 84 0.299 8.731 -1.428 689 HD23 LEU 84 HD23 LEU 84 0.976 10.221 -2.057 690 H ALA 85 HN ALA 85 -1.515 10.078 3.906 691 HA ALA 85 HA ALA 85 -3.025 7.714 4.190 692 HB1 ALA 85 HB1 ALA 85 -2.958 10.112 6.038 693 HB2 ALA 85 HB2 ALA 85 -1.810 8.780 6.072 694 HB3 ALA 85 HB3 ALA 85 -3.499 8.496 6.476 695 H ASP 86 HN ASP 86 -3.950 11.097 4.101 696 HA ASP 86 HA ASP 86 -6.708 10.753 4.450 697 HB2 ASP 86 HB2 ASP 86 -5.673 12.875 4.881 698 HB3 ASP 86 HB1 ASP 86 -5.146 13.005 3.211 699 H GLU 87 HN GLU 87 -4.762 11.056 1.499 700 HA GLU 87 HA GLU 87 -7.096 11.103 -0.107 701 HB2 GLU 87 HB2 GLU 87 -5.700 11.130 -2.072 702 HB3 GLU 87 HB1 GLU 87 -4.965 12.114 -0.821 703 HG2 GLU 87 HG2 GLU 87 -3.379 10.437 -0.335 704 HG3 GLU 87 HG1 GLU 87 -4.075 9.377 -1.568 705 H VAL 88 HN VAL 88 -4.941 8.484 0.796 706 HA VAL 88 HA VAL 88 -6.284 6.595 -0.847 707 HB VAL 88 HB VAL 88 -4.712 6.070 1.708 708 HG11 VAL 88 HG11 VAL 88 -6.190 4.185 1.171 709 HG12 VAL 88 HG12 VAL 88 -4.504 3.750 0.892 710 HG13 VAL 88 HG13 VAL 88 -5.552 4.141 -0.471 711 HG21 VAL 88 HG21 VAL 88 -2.875 5.458 0.207 712 HG22 VAL 88 HG22 VAL 88 -3.374 7.132 -0.036 713 HG23 VAL 88 HG23 VAL 88 -3.870 5.887 -1.185 714 H ALA 89 HN ALA 89 -6.806 7.721 2.434 715 HA ALA 89 HA ALA 89 -8.822 5.897 3.147 716 HB1 ALA 89 HB1 ALA 89 -7.673 7.296 4.797 717 HB2 ALA 89 HB2 ALA 89 -9.425 7.479 4.907 718 HB3 ALA 89 HB3 ALA 89 -8.453 8.725 4.121 719 H SER 90 HN SER 90 -9.025 9.029 1.451 720 HA SER 90 HA SER 90 -11.855 9.004 1.487 721 HB2 SER 90 HB2 SER 90 -11.573 10.804 -0.326 722 HB3 SER 90 HB1 SER 90 -10.913 11.143 1.273 723 HG SER 90 HG SER 90 -9.085 11.353 0.398 724 H VAL 91 HN VAL 91 -9.456 7.822 -0.772 725 HA VAL 91 HA VAL 91 -11.227 7.108 -2.856 726 HB VAL 91 HB VAL 91 -8.548 5.900 -2.066 727 HG11 VAL 91 HG11 VAL 91 -10.117 5.472 -4.615 728 HG12 VAL 91 HG12 VAL 91 -9.863 4.268 -3.355 729 HG13 VAL 91 HG13 VAL 91 -8.492 4.867 -4.288 730 HG21 VAL 91 HG21 VAL 91 -9.315 7.821 -4.251 731 HG22 VAL 91 HG22 VAL 91 -7.706 7.162 -3.987 732 HG23 VAL 91 HG23 VAL 91 -8.433 8.227 -2.777 733 H TYR 92 HN TYR 92 -10.020 5.338 -0.052 734 HA TYR 92 HA TYR 92 -11.341 2.940 -0.691 735 HB2 TYR 92 HB2 TYR 92 -9.390 2.969 0.807 736 HB3 TYR 92 HB1 TYR 92 -10.325 3.851 2.014 737 HD1 TYR 92 HD2 TYR 92 -10.153 0.633 0.165 738 HD2 TYR 92 HD1 TYR 92 -11.697 2.700 3.543 739 HE1 TYR 92 HE2 TYR 92 -11.014 -1.493 1.064 740 HE2 TYR 92 HE1 TYR 92 -12.569 0.590 4.432 741 HH TYR 92 HH TYR 92 -13.280 -1.489 3.493 742 H GLN 93 HN GLN 93 -12.475 5.805 0.903 743 HA GLN 93 HA GLN 93 -14.670 4.533 2.170 744 HB2 GLN 93 HB2 GLN 93 -14.139 7.406 1.516 745 HB3 GLN 93 HB1 GLN 93 -15.663 6.900 2.236 746 HG2 GLN 93 HG2 GLN 93 -14.519 6.058 4.171 747 HG3 GLN 93 HG1 GLN 93 -12.951 6.360 3.419 748 HE21 GLN 93 HE21 GLN 93 -12.197 8.384 3.317 749 HE22 GLN 93 HE22 GLN 93 -12.862 9.714 4.198 750 H SER 94 HN SER 94 -14.108 5.056 -1.043 751 HA SER 94 HA SER 94 -16.889 5.192 -1.838 752 HB2 SER 94 HB2 SER 94 -15.037 6.327 -3.138 753 HB3 SER 94 HB1 SER 94 -14.377 4.736 -3.486 754 HG SER 94 HG SER 94 -16.995 5.513 -4.142 755 H TYR 95 HN TYR 95 -14.714 2.859 -0.709 756 HA TYR 95 HA TYR 95 -16.173 0.615 -1.901 757 HB2 TYR 95 HB2 TYR 95 -13.176 0.828 -1.598 758 HB3 TYR 95 HB1 TYR 95 -14.093 -0.572 -2.138 759 HD1 TYR 95 HD2 TYR 95 -15.663 -0.135 -4.160 760 HD2 TYR 95 HD1 TYR 95 -12.239 2.186 -3.214 761 HE1 TYR 95 HE2 TYR 95 -15.549 0.609 -6.464 762 HE2 TYR 95 HE1 TYR 95 -12.107 2.948 -5.550 763 HH TYR 95 HH TYR 95 -14.675 2.471 -7.688 764 H GLN 96 HN GLN 96 -17.325 0.505 -0.003 765 HA GLN 96 HA GLN 96 -17.808 -0.073 2.111 766 HB2 GLN 96 HB2 GLN 96 -15.727 -2.160 1.515 767 HB3 GLN 96 HB1 GLN 96 -16.935 -2.259 2.792 768 HG2 GLN 96 HG2 GLN 96 -18.696 -2.175 1.157 769 HG3 GLN 96 HG1 GLN 96 -17.507 -2.021 -0.129 770 HE21 GLN 96 HE21 GLN 96 -18.160 -3.872 -1.134 771 HE22 GLN 96 HE22 GLN 96 -17.871 -5.466 -0.517 772 HA PRO 97 HA PRO 97 -14.277 2.219 4.116 773 HB2 PRO 97 HB2 PRO 97 -15.960 3.781 5.605 774 HB3 PRO 97 HB1 PRO 97 -15.434 4.221 3.976 775 HG2 PRO 97 HG2 PRO 97 -17.931 2.828 4.848 776 HG3 PRO 97 HG1 PRO 97 -17.811 4.209 3.769 777 HD2 PRO 97 HD2 PRO 97 -18.131 1.789 2.782 778 HD3 PRO 97 HD1 PRO 97 -16.944 2.819 1.992 779 H ARG 98 HN ARG 98 -17.169 0.677 5.190 780 HA ARG 98 HA ARG 98 -16.138 0.323 7.884 781 HB2 ARG 98 HB2 ARG 98 -18.820 -0.450 6.729 782 HB3 ARG 98 HB1 ARG 98 -18.388 -0.357 8.427 783 HG2 ARG 98 HG2 ARG 98 -18.093 2.078 8.222 784 HG3 ARG 98 HG1 ARG 98 -18.558 1.998 6.529 785 HD2 ARG 98 HD2 ARG 98 -20.441 2.675 7.843 786 HD3 ARG 98 HD1 ARG 98 -20.736 1.051 7.220 787 HE ARG 98 HE ARG 98 -19.538 1.079 9.808 788 HH11 ARG 98 HH11 ARG 98 -22.614 1.215 8.078 789 HH12 ARG 98 HH12 ARG 98 -23.555 0.737 9.415 790 HH21 ARG 98 HH21 ARG 98 -20.835 0.440 11.647 791 HH22 ARG 98 HH22 ARG 98 -22.526 0.264 11.482 792 H THR 99 HN THR 99 -14.752 -1.338 7.887 793 HA THR 99 HA THR 99 -15.567 -3.791 6.549 794 HB THR 99 HB THR 99 -13.908 -2.755 5.114 795 HG1 THR 99 HG1 THR 99 -13.135 -4.616 4.815 796 HG21 THR 99 HG21 THR 99 -11.602 -2.282 5.912 797 HG22 THR 99 HG22 THR 99 -12.135 -2.627 7.563 798 HG23 THR 99 HG23 THR 99 -12.814 -1.265 6.686 799 H SER 100 HN SER 100 -14.848 -5.675 7.498 800 HA SER 100 HA SER 100 -13.261 -5.693 9.843 801 HB2 SER 100 HB2 SER 100 -15.211 -6.921 11.101 802 HB3 SER 100 HB1 SER 100 -15.192 -5.157 11.063 803 HG SER 100 HG SER 100 -16.421 -6.255 8.902 Start of MODEL 19 1 H1 GLY -1 HT1 GLY -1 -5.907 -8.268 -2.539 2 H2 GLY -1 HT2 GLY -1 -6.313 -9.218 -1.215 3 H3 GLY -1 HT3 GLY -1 -7.514 -8.635 -2.229 4 HA2 GLY -1 HA1 GLY -1 -6.587 -9.954 -4.087 5 HA3 GLY -1 HA2 GLY -1 -5.324 -10.532 -3.004 6 H SER 0 HN SER 0 -6.474 -11.375 -0.766 7 HA SER 0 HA SER 0 -7.987 -13.616 -1.511 8 HB2 SER 0 HB2 SER 0 -7.780 -12.327 1.214 9 HB3 SER 0 HB1 SER 0 -8.106 -14.027 0.866 10 HG SER 0 HG SER 0 -6.001 -13.943 -0.272 11 H MET 1 HN MET 1 -9.877 -13.347 -2.444 12 HA MET 1 HA MET 1 -11.859 -12.648 -3.084 13 HB2 MET 1 HB2 MET 1 -12.271 -11.925 -0.169 14 HB3 MET 1 HB1 MET 1 -13.549 -11.927 -1.373 15 HG2 MET 1 HG2 MET 1 -13.210 -14.318 -1.729 16 HG3 MET 1 HG1 MET 1 -11.936 -14.316 -0.514 17 HE1 MET 1 HE1 MET 1 -13.087 -16.271 0.800 18 HE2 MET 1 HE2 MET 1 -14.369 -16.339 -0.408 19 HE3 MET 1 HE3 MET 1 -14.774 -16.266 1.306 20 HA PRO 2 HA PRO 2 -10.217 -8.460 -3.425 21 HB2 PRO 2 HB2 PRO 2 -9.854 -8.503 -6.129 22 HB3 PRO 2 HB1 PRO 2 -8.666 -9.129 -4.978 23 HG2 PRO 2 HG2 PRO 2 -10.498 -10.554 -6.784 24 HG3 PRO 2 HG1 PRO 2 -8.965 -11.091 -6.089 25 HD2 PRO 2 HD2 PRO 2 -11.584 -11.764 -5.230 26 HD3 PRO 2 HD1 PRO 2 -10.054 -12.178 -4.433 27 H PHE 3 HN PHE 3 -11.664 -6.991 -3.279 28 HA PHE 3 HA PHE 3 -13.553 -6.531 -5.447 29 HB2 PHE 3 HB2 PHE 3 -14.781 -8.056 -3.971 30 HB3 PHE 3 HB1 PHE 3 -14.441 -7.022 -2.599 31 HD1 PHE 3 HD1 PHE 3 -16.297 -7.151 -5.813 32 HD2 PHE 3 HD2 PHE 3 -15.871 -5.245 -2.035 33 HE1 PHE 3 HE1 PHE 3 -18.409 -5.959 -6.179 34 HE2 PHE 3 HE2 PHE 3 -17.984 -4.043 -2.398 35 HZ PHE 3 HZ PHE 3 -19.259 -4.401 -4.472 36 H ALA 4 HN ALA 4 -13.111 -5.589 -2.100 37 HA ALA 4 HA ALA 4 -13.642 -2.860 -2.696 38 HB1 ALA 4 HB1 ALA 4 -12.691 -4.109 -0.123 39 HB2 ALA 4 HB2 ALA 4 -14.375 -3.940 -0.631 40 HB3 ALA 4 HB3 ALA 4 -13.421 -2.506 -0.317 41 H GLU 5 HN GLU 5 -10.859 -4.643 -1.472 42 HA GLU 5 HA GLU 5 -9.161 -2.372 -1.640 43 HB2 GLU 5 HB2 GLU 5 -7.405 -4.413 -1.288 44 HB3 GLU 5 HB1 GLU 5 -8.215 -3.570 0.011 45 HG2 GLU 5 HG2 GLU 5 -8.164 -6.003 0.235 46 HG3 GLU 5 HG1 GLU 5 -9.765 -5.310 0.295 47 H ASP 6 HN ASP 6 -9.987 -4.994 -3.678 48 HA ASP 6 HA ASP 6 -7.861 -4.887 -5.517 49 HB2 ASP 6 HB2 ASP 6 -9.603 -6.622 -5.620 50 HB3 ASP 6 HB1 ASP 6 -10.785 -5.413 -6.113 51 H LYS 7 HN LYS 7 -11.015 -3.255 -5.651 52 HA LYS 7 HA LYS 7 -10.113 -1.615 -7.777 53 HB2 LYS 7 HB2 LYS 7 -12.627 -1.448 -6.156 54 HB3 LYS 7 HB1 LYS 7 -12.272 -0.398 -7.525 55 HG2 LYS 7 HG2 LYS 7 -12.004 -2.432 -8.932 56 HG3 LYS 7 HG1 LYS 7 -12.570 -3.389 -7.566 57 HD2 LYS 7 HD2 LYS 7 -14.082 -1.192 -8.947 58 HD3 LYS 7 HD1 LYS 7 -14.366 -2.921 -9.148 59 HE2 LYS 7 HE2 LYS 7 -14.884 -3.052 -6.719 60 HE3 LYS 7 HE1 LYS 7 -14.711 -1.302 -6.631 61 HZ1 LYS 7 HZ1 LYS 7 -16.520 -1.092 -8.238 62 HZ2 LYS 7 HZ2 LYS 7 -17.014 -1.960 -6.871 63 HZ3 LYS 7 HZ3 LYS 7 -16.650 -2.768 -8.295 64 H THR 8 HN THR 8 -9.892 -1.312 -4.394 65 HA THR 8 HA THR 8 -9.405 1.466 -4.355 66 HB THR 8 HB THR 8 -8.211 -0.689 -2.562 67 HG1 THR 8 HG1 THR 8 -10.532 -0.522 -2.428 68 HG21 THR 8 HG21 THR 8 -6.914 1.401 -2.483 69 HG22 THR 8 HG22 THR 8 -7.782 1.149 -0.970 70 HG23 THR 8 HG23 THR 8 -8.387 2.309 -2.151 71 H TYR 9 HN TYR 9 -7.303 -1.377 -4.866 72 HA TYR 9 HA TYR 9 -4.941 0.088 -5.307 73 HB2 TYR 9 HB2 TYR 9 -4.991 -2.386 -4.885 74 HB3 TYR 9 HB1 TYR 9 -5.682 -2.605 -6.488 75 HD1 TYR 9 HD1 TYR 9 -4.315 -2.274 -8.496 76 HD2 TYR 9 HD2 TYR 9 -2.649 -1.825 -4.608 77 HE1 TYR 9 HE1 TYR 9 -2.060 -2.317 -9.461 78 HE2 TYR 9 HE2 TYR 9 -0.396 -1.883 -5.567 79 HH TYR 9 HH TYR 9 0.134 -1.525 -8.881 80 H LYS 10 HN LYS 10 -7.559 -0.911 -7.409 81 HA LYS 10 HA LYS 10 -6.366 -0.100 -9.856 82 HB2 LYS 10 HB2 LYS 10 -9.336 -0.265 -9.263 83 HB3 LYS 10 HB1 LYS 10 -8.584 -0.294 -10.849 84 HG2 LYS 10 HG2 LYS 10 -8.275 -2.409 -8.721 85 HG3 LYS 10 HG1 LYS 10 -9.292 -2.525 -10.155 86 HD2 LYS 10 HD2 LYS 10 -7.379 -2.526 -11.590 87 HD3 LYS 10 HD1 LYS 10 -6.306 -2.110 -10.255 88 HE2 LYS 10 HE2 LYS 10 -6.136 -4.485 -10.844 89 HE3 LYS 10 HE1 LYS 10 -6.725 -4.255 -9.205 90 HZ1 LYS 10 HZ1 LYS 10 -8.537 -4.744 -11.503 91 HZ2 LYS 10 HZ2 LYS 10 -8.891 -4.883 -9.832 92 HZ3 LYS 10 HZ3 LYS 10 -7.869 -5.970 -10.577 93 H TYR 11 HN TYR 11 -7.928 1.639 -7.354 94 HA TYR 11 HA TYR 11 -8.379 4.092 -8.798 95 HB2 TYR 11 HB2 TYR 11 -9.373 3.278 -6.461 96 HB3 TYR 11 HB1 TYR 11 -7.847 3.817 -5.863 97 HD1 TYR 11 HD1 TYR 11 -7.184 6.173 -5.859 98 HD2 TYR 11 HD2 TYR 11 -11.053 4.959 -7.130 99 HE1 TYR 11 HE1 TYR 11 -7.983 8.484 -5.622 100 HE2 TYR 11 HE2 TYR 11 -11.858 7.266 -6.905 101 HH TYR 11 HH TYR 11 -11.181 9.283 -5.542 102 H ILE 12 HN ILE 12 -6.041 2.747 -6.610 103 HA ILE 12 HA ILE 12 -4.206 4.852 -6.438 104 HB ILE 12 HB ILE 12 -3.847 1.869 -6.088 105 HG12 ILE 12 HG12 ILE 12 -5.556 2.806 -4.642 106 HG13 ILE 12 HG11 ILE 12 -4.162 2.294 -3.683 107 HG21 ILE 12 HG21 ILE 12 -2.021 4.082 -5.225 108 HG22 ILE 12 HG22 ILE 12 -1.663 2.782 -6.363 109 HG23 ILE 12 HG23 ILE 12 -1.903 2.420 -4.650 110 HD11 ILE 12 HD11 ILE 12 -5.080 4.375 -2.864 111 HD12 ILE 12 HD12 ILE 12 -4.925 5.114 -4.452 112 HD13 ILE 12 HD13 ILE 12 -3.480 4.671 -3.542 113 H CYS 13 HN CYS 13 -4.647 2.457 -8.915 114 HA CYS 13 HA CYS 13 -2.160 2.581 -10.191 115 HB2 CYS 13 HB2 CYS 13 -4.886 2.331 -11.490 116 HB3 CYS 13 HB1 CYS 13 -3.353 1.905 -12.238 117 HG CYS 13 HG CYS 13 -4.061 0.384 -9.317 118 H ARG 14 HN ARG 14 -4.760 4.871 -10.099 119 HA ARG 14 HA ARG 14 -3.934 6.512 -12.308 120 HB2 ARG 14 HB2 ARG 14 -5.753 7.098 -9.970 121 HB3 ARG 14 HB1 ARG 14 -5.593 8.090 -11.406 122 HG2 ARG 14 HG2 ARG 14 -6.519 6.295 -12.769 123 HG3 ARG 14 HG1 ARG 14 -6.553 5.272 -11.319 124 HD2 ARG 14 HD2 ARG 14 -8.771 6.233 -11.871 125 HD3 ARG 14 HD1 ARG 14 -8.183 6.662 -10.269 126 HE ARG 14 HE ARG 14 -7.460 8.668 -12.106 127 HH11 ARG 14 HH11 ARG 14 -10.392 7.372 -10.564 128 HH12 ARG 14 HH12 ARG 14 -11.180 8.880 -10.525 129 HH21 ARG 14 HH21 ARG 14 -8.631 10.730 -12.070 130 HH22 ARG 14 HH22 ARG 14 -10.203 10.776 -11.417 131 H ASN 15 HN ASN 15 -3.526 6.507 -8.822 132 HA ASN 15 HA ASN 15 -2.072 9.049 -8.940 133 HB2 ASN 15 HB2 ASN 15 -2.460 9.144 -6.457 134 HB3 ASN 15 HB1 ASN 15 -3.929 9.138 -7.442 135 HD21 ASN 15 HD21 ASN 15 -5.345 7.499 -7.321 136 HD22 ASN 15 HD22 ASN 15 -5.203 6.270 -6.115 137 H PHE 16 HN PHE 16 -1.208 6.075 -9.260 138 HA PHE 16 HA PHE 16 0.640 5.437 -7.273 139 HB2 PHE 16 HB2 PHE 16 -0.148 4.012 -9.297 140 HB3 PHE 16 HB1 PHE 16 1.136 4.816 -10.186 141 HD1 PHE 16 HD2 PHE 16 3.545 4.524 -9.346 142 HD2 PHE 16 HD1 PHE 16 0.292 2.178 -7.927 143 HE1 PHE 16 HE2 PHE 16 5.135 2.836 -8.485 144 HE2 PHE 16 HE1 PHE 16 1.869 0.499 -7.076 145 HZ PHE 16 HZ PHE 16 4.289 0.826 -7.357 146 H SER 17 HN SER 17 0.956 7.468 -10.115 147 HA SER 17 HA SER 17 3.687 7.967 -10.134 148 HB2 SER 17 HB2 SER 17 1.498 9.868 -10.931 149 HB3 SER 17 HB1 SER 17 3.114 9.707 -11.633 150 HG SER 17 HG SER 17 2.567 7.830 -12.540 151 H ASN 18 HN ASN 18 1.198 9.164 -8.028 152 HA ASN 18 HA ASN 18 2.522 11.581 -7.267 153 HB2 ASN 18 HB2 ASN 18 0.113 11.495 -7.192 154 HB3 ASN 18 HB1 ASN 18 0.152 10.090 -6.142 155 HD21 ASN 18 HD21 ASN 18 0.217 10.389 -4.009 156 HD22 ASN 18 HD22 ASN 18 0.277 11.928 -3.248 157 H PHE 19 HN PHE 19 2.402 8.298 -6.113 158 HA PHE 19 HA PHE 19 4.448 9.145 -4.307 159 HB2 PHE 19 HB2 PHE 19 3.840 7.073 -2.843 160 HB3 PHE 19 HB1 PHE 19 2.991 8.591 -2.648 161 HD1 PHE 19 HD1 PHE 19 2.381 6.006 -5.279 162 HD2 PHE 19 HD2 PHE 19 1.066 7.833 -1.679 163 HE1 PHE 19 HE1 PHE 19 0.244 4.777 -5.417 164 HE2 PHE 19 HE2 PHE 19 -1.060 6.632 -1.824 165 HZ PHE 19 HZ PHE 19 -1.474 5.110 -3.678 166 H CYS 20 HN CYS 20 5.152 8.574 -6.766 167 HA CYS 20 HA CYS 20 6.569 6.053 -6.557 168 HB2 CYS 20 HB2 CYS 20 6.598 8.254 -8.649 169 HB3 CYS 20 HB1 CYS 20 7.573 6.796 -8.738 170 HG CYS 20 HG CYS 20 4.299 6.278 -8.347 171 H ASN 21 HN ASN 21 6.747 8.686 -5.019 172 HA ASN 21 HA ASN 21 9.554 8.476 -4.482 173 HB2 ASN 21 HB2 ASN 21 9.262 10.362 -6.199 174 HB3 ASN 21 HB1 ASN 21 8.339 11.202 -4.949 175 HD21 ASN 21 HD21 ASN 21 9.411 11.860 -3.058 176 HD22 ASN 21 HD22 ASN 21 11.129 11.997 -3.027 177 H VAL 22 HN VAL 22 8.801 7.515 -2.692 178 HA VAL 22 HA VAL 22 7.918 9.216 -0.582 179 HB VAL 22 HB VAL 22 5.836 8.358 -1.888 180 HG11 VAL 22 HG11 VAL 22 4.977 6.204 -1.334 181 HG12 VAL 22 HG12 VAL 22 6.552 5.759 -0.667 182 HG13 VAL 22 HG13 VAL 22 6.394 6.175 -2.383 183 HG21 VAL 22 HG21 VAL 22 5.512 9.306 0.275 184 HG22 VAL 22 HG22 VAL 22 6.073 7.828 1.050 185 HG23 VAL 22 HG23 VAL 22 4.548 7.835 0.168 186 H ASP 23 HN ASP 23 8.119 7.873 1.479 187 HA ASP 23 HA ASP 23 10.391 6.185 1.057 188 HB2 ASP 23 HB2 ASP 23 10.359 7.810 2.971 189 HB3 ASP 23 HB1 ASP 23 9.139 6.796 3.746 190 H VAL 24 HN VAL 24 10.573 4.095 2.242 191 HA VAL 24 HA VAL 24 8.105 2.535 1.840 192 HB VAL 24 HB VAL 24 10.924 1.825 0.981 193 HG11 VAL 24 HG11 VAL 24 9.758 -0.148 1.711 194 HG12 VAL 24 HG12 VAL 24 9.965 -0.118 -0.053 195 HG13 VAL 24 HG13 VAL 24 8.389 0.257 0.657 196 HG21 VAL 24 HG21 VAL 24 9.920 3.438 -0.502 197 HG22 VAL 24 HG22 VAL 24 8.485 2.428 -0.660 198 HG23 VAL 24 HG23 VAL 24 10.034 1.869 -1.294 199 H VAL 25 HN VAL 25 11.084 3.045 3.604 200 HA VAL 25 HA VAL 25 10.852 0.473 4.875 201 HB VAL 25 HB VAL 25 12.990 0.945 5.931 202 HG11 VAL 25 HG11 VAL 25 12.905 -0.166 3.766 203 HG12 VAL 25 HG12 VAL 25 14.328 0.873 3.838 204 HG13 VAL 25 HG13 VAL 25 12.900 1.391 2.942 205 HG21 VAL 25 HG21 VAL 25 12.874 3.354 6.111 206 HG22 VAL 25 HG22 VAL 25 12.914 3.516 4.356 207 HG23 VAL 25 HG23 VAL 25 14.323 2.888 5.218 208 H GLU 26 HN GLU 26 10.447 3.827 5.664 209 HA GLU 26 HA GLU 26 10.156 3.482 8.468 210 HB2 GLU 26 HB2 GLU 26 10.423 5.687 7.136 211 HB3 GLU 26 HB1 GLU 26 8.720 5.527 6.769 212 HG2 GLU 26 HG2 GLU 26 9.050 7.049 8.616 213 HG3 GLU 26 HG1 GLU 26 8.196 5.606 9.160 214 H ILE 27 HN ILE 27 8.165 3.062 5.717 215 HA ILE 27 HA ILE 27 5.623 2.839 6.951 216 HB ILE 27 HB ILE 27 6.785 2.024 4.310 217 HG12 ILE 27 HG12 ILE 27 4.634 3.999 5.074 218 HG13 ILE 27 HG11 ILE 27 6.290 4.367 4.612 219 HG21 ILE 27 HG21 ILE 27 3.990 1.334 5.152 220 HG22 ILE 27 HG22 ILE 27 5.275 0.235 4.675 221 HG23 ILE 27 HG23 ILE 27 4.570 1.327 3.488 222 HD11 ILE 27 HD11 ILE 27 5.850 3.514 2.377 223 HD12 ILE 27 HD12 ILE 27 4.748 4.824 2.797 224 HD13 ILE 27 HD13 ILE 27 4.185 3.149 2.835 225 H LEU 28 HN LEU 28 8.191 0.510 6.463 226 HA LEU 28 HA LEU 28 6.753 -1.840 6.619 227 HB2 LEU 28 HB2 LEU 28 9.555 -1.350 7.609 228 HB3 LEU 28 HB1 LEU 28 8.839 -2.938 7.413 229 HG LEU 28 HG LEU 28 9.322 -0.954 5.193 230 HD11 LEU 28 HD11 LEU 28 11.062 -2.520 4.486 231 HD12 LEU 28 HD12 LEU 28 10.758 -3.501 5.921 232 HD13 LEU 28 HD13 LEU 28 11.392 -1.864 6.087 233 HD21 LEU 28 HD21 LEU 28 8.342 -3.804 5.145 234 HD22 LEU 28 HD22 LEU 28 8.781 -2.854 3.730 235 HD23 LEU 28 HD23 LEU 28 7.406 -2.370 4.718 236 HA PRO 29 HA PRO 29 7.029 -2.158 11.403 237 HB2 PRO 29 HB2 PRO 29 7.622 0.042 12.866 238 HB3 PRO 29 HB1 PRO 29 8.856 -1.084 12.282 239 HG2 PRO 29 HG2 PRO 29 8.000 1.540 11.113 240 HG3 PRO 29 HG1 PRO 29 9.640 0.920 11.382 241 HD2 PRO 29 HD2 PRO 29 8.465 0.815 8.968 242 HD3 PRO 29 HD1 PRO 29 9.564 -0.456 9.539 243 H TYR 30 HN TYR 30 5.707 0.462 9.670 244 HA TYR 30 HA TYR 30 3.589 0.902 11.614 245 HB2 TYR 30 HB2 TYR 30 4.616 2.401 9.257 246 HB3 TYR 30 HB1 TYR 30 3.081 2.841 9.940 247 HD1 TYR 30 HD2 TYR 30 3.258 3.158 12.662 248 HD2 TYR 30 HD1 TYR 30 6.445 3.514 9.908 249 HE1 TYR 30 HE2 TYR 30 4.502 4.533 14.280 250 HE2 TYR 30 HE1 TYR 30 7.703 4.873 11.505 251 HH TYR 30 HH TYR 30 6.827 5.117 14.752 252 H LEU 31 HN LEU 31 4.211 -1.065 9.037 253 HA LEU 31 HA LEU 31 1.387 -1.256 8.330 254 HB2 LEU 31 HB2 LEU 31 2.697 -0.131 6.573 255 HB3 LEU 31 HB1 LEU 31 3.827 -1.453 6.582 256 HG LEU 31 HG LEU 31 2.126 -2.929 5.821 257 HD11 LEU 31 HD11 LEU 31 0.011 -2.027 4.873 258 HD12 LEU 31 HD12 LEU 31 0.416 -0.475 5.613 259 HD13 LEU 31 HD13 LEU 31 0.126 -1.889 6.626 260 HD21 LEU 31 HD21 LEU 31 3.609 -1.922 4.229 261 HD22 LEU 31 HD22 LEU 31 2.551 -0.520 4.079 262 HD23 LEU 31 HD23 LEU 31 2.013 -2.097 3.496 263 HA PRO 32 HA PRO 32 2.923 -5.345 9.737 264 HB2 PRO 32 HB2 PRO 32 1.016 -5.855 11.541 265 HB3 PRO 32 HB1 PRO 32 2.357 -4.766 11.911 266 HG2 PRO 32 HG2 PRO 32 -0.479 -4.135 11.308 267 HG3 PRO 32 HG1 PRO 32 0.673 -3.265 12.327 268 HD2 PRO 32 HD2 PRO 32 -0.055 -2.646 9.665 269 HD3 PRO 32 HD1 PRO 32 1.256 -1.910 10.606 270 H CYS 33 HN CYS 33 1.061 -4.555 7.541 271 HA CYS 33 HA CYS 33 -1.002 -6.576 7.532 272 HB2 CYS 33 HB2 CYS 33 -1.384 -4.386 6.475 273 HB3 CYS 33 HB1 CYS 33 -0.095 -4.716 5.324 274 HG CYS 33 HG CYS 33 -2.800 -6.785 5.513 275 H LEU 34 HN LEU 34 2.236 -6.185 6.368 276 HA LEU 34 HA LEU 34 2.018 -8.560 4.706 277 HB2 LEU 34 HB2 LEU 34 4.410 -6.765 5.164 278 HB3 LEU 34 HB1 LEU 34 4.354 -8.190 4.155 279 HG LEU 34 HG LEU 34 4.329 -6.359 2.729 280 HD11 LEU 34 HD11 LEU 34 2.861 -8.112 2.039 281 HD12 LEU 34 HD12 LEU 34 2.243 -6.540 1.532 282 HD13 LEU 34 HD13 LEU 34 1.515 -7.368 2.907 283 HD21 LEU 34 HD21 LEU 34 3.744 -4.691 4.318 284 HD22 LEU 34 HD22 LEU 34 2.066 -5.255 4.336 285 HD23 LEU 34 HD23 LEU 34 2.756 -4.534 2.862 286 H THR 35 HN THR 35 3.846 -10.106 4.896 287 HA THR 35 HA THR 35 4.037 -11.120 7.558 288 HB THR 35 HB THR 35 5.397 -12.125 5.113 289 HG1 THR 35 HG1 THR 35 3.486 -11.732 4.216 290 HG21 THR 35 HG21 THR 35 3.727 -13.431 7.225 291 HG22 THR 35 HG22 THR 35 5.487 -13.290 7.263 292 HG23 THR 35 HG23 THR 35 4.699 -14.276 6.006 293 H ALA 36 HN ALA 36 6.338 -11.782 8.272 294 HA ALA 36 HA ALA 36 8.146 -9.668 8.207 295 HB1 ALA 36 HB1 ALA 36 8.749 -12.558 8.838 296 HB2 ALA 36 HB2 ALA 36 8.090 -11.389 9.979 297 HB3 ALA 36 HB3 ALA 36 9.712 -11.160 9.315 298 H ARG 37 HN ARG 37 8.088 -12.692 6.297 299 HA ARG 37 HA ARG 37 10.432 -12.458 4.874 300 HB2 ARG 37 HB2 ARG 37 7.741 -13.497 4.034 301 HB3 ARG 37 HB1 ARG 37 9.201 -13.696 3.093 302 HG2 ARG 37 HG2 ARG 37 10.168 -15.052 4.857 303 HG3 ARG 37 HG1 ARG 37 8.743 -14.790 5.862 304 HD2 ARG 37 HD2 ARG 37 7.358 -15.853 4.102 305 HD3 ARG 37 HD1 ARG 37 8.820 -16.180 3.183 306 HE ARG 37 HE ARG 37 9.146 -17.249 5.724 307 HH11 ARG 37 HH11 ARG 37 7.109 -17.811 2.866 308 HH12 ARG 37 HH12 ARG 37 6.899 -19.470 3.189 309 HH21 ARG 37 HH21 ARG 37 8.811 -19.570 6.134 310 HH22 ARG 37 HH22 ARG 37 7.847 -20.466 5.053 311 H ASP 38 HN ASP 38 7.315 -10.963 4.288 312 HA ASP 38 HA ASP 38 7.856 -9.919 1.699 313 HB2 ASP 38 HB2 ASP 38 5.955 -8.993 3.826 314 HB3 ASP 38 HB1 ASP 38 5.902 -8.392 2.161 315 H GLN 39 HN GLN 39 7.891 -8.526 4.917 316 HA GLN 39 HA GLN 39 8.751 -5.917 4.281 317 HB2 GLN 39 HB2 GLN 39 9.184 -7.506 6.815 318 HB3 GLN 39 HB1 GLN 39 9.299 -5.756 6.668 319 HG2 GLN 39 HG2 GLN 39 6.965 -5.570 6.207 320 HG3 GLN 39 HG1 GLN 39 6.804 -7.317 6.078 321 HE21 GLN 39 HE21 GLN 39 5.258 -7.437 7.650 322 HE22 GLN 39 HE22 GLN 39 5.600 -7.194 9.316 323 H ASP 40 HN ASP 40 10.451 -8.822 5.160 324 HA ASP 40 HA ASP 40 13.099 -8.069 5.334 325 HB2 ASP 40 HB2 ASP 40 12.325 -10.264 5.907 326 HB3 ASP 40 HB1 ASP 40 11.782 -10.546 4.266 327 H ARG 41 HN ARG 41 11.306 -9.123 2.487 328 HA ARG 41 HA ARG 41 13.394 -8.893 0.602 329 HB2 ARG 41 HB2 ARG 41 10.453 -8.454 0.061 330 HB3 ARG 41 HB1 ARG 41 11.683 -8.788 -1.140 331 HG2 ARG 41 HG2 ARG 41 10.629 -10.633 0.983 332 HG3 ARG 41 HG1 ARG 41 10.428 -10.769 -0.763 333 HD2 ARG 41 HD2 ARG 41 12.919 -11.007 -0.930 334 HD3 ARG 41 HD1 ARG 41 12.959 -11.097 0.831 335 HE ARG 41 HE ARG 41 11.437 -12.935 -0.843 336 HH11 ARG 41 HH11 ARG 41 13.545 -12.411 2.034 337 HH12 ARG 41 HH12 ARG 41 13.708 -14.079 2.302 338 HH21 ARG 41 HH21 ARG 41 11.715 -15.200 -0.367 339 HH22 ARG 41 HH22 ARG 41 12.668 -15.670 0.973 340 H LEU 42 HN LEU 42 10.937 -6.621 1.585 341 HA LEU 42 HA LEU 42 11.593 -4.526 -0.164 342 HB2 LEU 42 HB2 LEU 42 10.242 -4.476 2.530 343 HB3 LEU 42 HB1 LEU 42 10.274 -3.135 1.400 344 HG LEU 42 HG LEU 42 9.026 -5.817 0.775 345 HD11 LEU 42 HD11 LEU 42 7.823 -4.734 2.593 346 HD12 LEU 42 HD12 LEU 42 6.885 -4.707 1.100 347 HD13 LEU 42 HD13 LEU 42 7.717 -3.250 1.646 348 HD21 LEU 42 HD21 LEU 42 9.762 -4.523 -1.171 349 HD22 LEU 42 HD22 LEU 42 8.814 -3.142 -0.595 350 HD23 LEU 42 HD23 LEU 42 8.009 -4.625 -1.065 351 H ARG 43 HN ARG 43 12.567 -5.181 3.163 352 HA ARG 43 HA ARG 43 14.135 -2.780 3.370 353 HB2 ARG 43 HB2 ARG 43 12.920 -3.926 5.253 354 HB3 ARG 43 HB1 ARG 43 14.104 -5.212 5.165 355 HG2 ARG 43 HG2 ARG 43 14.522 -3.637 7.005 356 HG3 ARG 43 HG1 ARG 43 15.854 -3.697 5.846 357 HD2 ARG 43 HD2 ARG 43 15.272 -1.621 4.921 358 HD3 ARG 43 HD1 ARG 43 13.678 -1.634 5.669 359 HE ARG 43 HE ARG 43 15.163 -1.640 7.803 360 HH11 ARG 43 HH11 ARG 43 15.844 0.229 4.883 361 HH12 ARG 43 HH12 ARG 43 16.298 1.635 5.713 362 HH21 ARG 43 HH21 ARG 43 15.781 0.291 8.949 363 HH22 ARG 43 HH22 ARG 43 16.237 1.690 8.099 364 H ALA 44 HN ALA 44 14.728 -5.690 1.885 365 HA ALA 44 HA ALA 44 17.616 -5.392 2.141 366 HB1 ALA 44 HB1 ALA 44 16.707 -7.677 2.088 367 HB2 ALA 44 HB2 ALA 44 17.738 -7.385 0.687 368 HB3 ALA 44 HB3 ALA 44 15.984 -7.358 0.512 369 H THR 45 HN THR 45 15.104 -5.361 -0.333 370 HA THR 45 HA THR 45 16.687 -4.605 -2.514 371 HB THR 45 HB THR 45 13.718 -4.114 -2.119 372 HG1 THR 45 HG1 THR 45 14.027 -6.248 -1.759 373 HG21 THR 45 HG21 THR 45 15.350 -4.586 -4.629 374 HG22 THR 45 HG22 THR 45 14.682 -3.035 -4.127 375 HG23 THR 45 HG23 THR 45 13.601 -4.359 -4.565 376 H CYS 46 HN CYS 46 15.089 -2.648 -0.010 377 HA CYS 46 HA CYS 46 14.864 -0.207 -1.179 378 HB2 CYS 46 HB2 CYS 46 14.899 0.593 1.139 379 HB3 CYS 46 HB1 CYS 46 13.919 -0.863 0.968 380 HG CYS 46 HG CYS 46 17.138 -0.883 2.131 381 H THR 47 HN THR 47 17.605 -1.685 0.306 382 HA THR 47 HA THR 47 19.239 0.714 0.095 383 HB THR 47 HB THR 47 20.031 -1.993 1.153 384 HG1 THR 47 HG1 THR 47 19.175 -1.446 3.044 385 HG21 THR 47 HG21 THR 47 21.836 -0.368 0.820 386 HG22 THR 47 HG22 THR 47 21.565 -0.661 2.541 387 HG23 THR 47 HG23 THR 47 20.959 0.817 1.788 388 H LEU 48 HN LEU 48 18.636 -2.198 -1.601 389 HA LEU 48 HA LEU 48 21.247 -2.418 -2.788 390 HB2 LEU 48 HB2 LEU 48 18.688 -3.902 -3.271 391 HB3 LEU 48 HB1 LEU 48 20.177 -4.273 -4.112 392 HG LEU 48 HG LEU 48 19.710 -4.505 -1.134 393 HD11 LEU 48 HD11 LEU 48 19.998 -6.617 -3.255 394 HD12 LEU 48 HD12 LEU 48 18.516 -6.197 -2.396 395 HD13 LEU 48 HD13 LEU 48 19.871 -6.910 -1.521 396 HD21 LEU 48 HD21 LEU 48 22.116 -5.237 -2.805 397 HD22 LEU 48 HD22 LEU 48 21.897 -5.638 -1.106 398 HD23 LEU 48 HD23 LEU 48 22.038 -3.951 -1.598 399 H SER 49 HN SER 49 17.984 -1.992 -4.260 400 HA SER 49 HA SER 49 19.305 -0.925 -6.585 401 HB2 SER 49 HB2 SER 49 16.891 -0.912 -7.432 402 HB3 SER 49 HB1 SER 49 17.573 -2.497 -7.065 403 HG SER 49 HG SER 49 15.402 -2.034 -6.233 404 H GLY 50 HN GLY 50 16.504 0.037 -4.680 405 HA2 GLY 50 HA2 GLY 50 17.380 2.494 -3.836 406 HA3 GLY 50 HA1 GLY 50 16.614 2.741 -5.407 407 H ASN 51 HN ASN 51 15.484 3.872 -3.264 408 HA ASN 51 HA ASN 51 13.614 2.184 -1.907 409 HB2 ASN 51 HB2 ASN 51 14.543 4.614 -1.275 410 HB3 ASN 51 HB1 ASN 51 13.100 5.105 -2.158 411 HD21 ASN 51 HD21 ASN 51 11.874 5.780 -0.580 412 HD22 ASN 51 HD22 ASN 51 11.459 4.835 0.790 413 H ARG 52 HN ARG 52 13.529 4.292 -4.689 414 HA ARG 52 HA ARG 52 10.713 4.254 -5.109 415 HB2 ARG 52 HB2 ARG 52 12.126 6.022 -6.014 416 HB3 ARG 52 HB1 ARG 52 12.978 4.873 -7.021 417 HG2 ARG 52 HG2 ARG 52 10.923 4.486 -8.296 418 HG3 ARG 52 HG1 ARG 52 10.083 5.652 -7.268 419 HD2 ARG 52 HD2 ARG 52 12.481 6.233 -8.997 420 HD3 ARG 52 HD1 ARG 52 10.815 6.677 -9.375 421 HE ARG 52 HE ARG 52 11.007 7.895 -7.126 422 HH11 ARG 52 HH11 ARG 52 13.588 7.647 -9.563 423 HH12 ARG 52 HH12 ARG 52 14.316 9.124 -9.174 424 HH21 ARG 52 HH21 ARG 52 12.120 9.998 -6.531 425 HH22 ARG 52 HH22 ARG 52 13.476 10.471 -7.396 426 H ASP 53 HN ASP 53 13.353 2.284 -6.215 427 HA ASP 53 HA ASP 53 11.871 0.671 -8.030 428 HB2 ASP 53 HB2 ASP 53 14.329 0.752 -8.070 429 HB3 ASP 53 HB1 ASP 53 14.388 0.033 -6.467 430 H THR 54 HN THR 54 12.541 0.539 -4.634 431 HA THR 54 HA THR 54 11.381 -1.985 -4.185 432 HB THR 54 HB THR 54 11.850 0.255 -2.189 433 HG1 THR 54 HG1 THR 54 13.810 -0.296 -3.232 434 HG21 THR 54 HG21 THR 54 11.696 -2.747 -1.825 435 HG22 THR 54 HG22 THR 54 10.421 -1.621 -1.386 436 HG23 THR 54 HG23 THR 54 11.981 -1.558 -0.553 437 H LEU 55 HN LEU 55 10.027 1.215 -4.507 438 HA LEU 55 HA LEU 55 7.568 0.891 -3.248 439 HB2 LEU 55 HB2 LEU 55 8.260 2.475 -5.734 440 HB3 LEU 55 HB1 LEU 55 6.669 2.480 -5.022 441 HG LEU 55 HG LEU 55 9.105 3.314 -3.436 442 HD11 LEU 55 HD11 LEU 55 8.338 5.609 -3.826 443 HD12 LEU 55 HD12 LEU 55 7.061 5.022 -4.847 444 HD13 LEU 55 HD13 LEU 55 8.744 4.861 -5.377 445 HD21 LEU 55 HD21 LEU 55 7.519 4.225 -1.981 446 HD22 LEU 55 HD22 LEU 55 6.997 2.549 -2.287 447 HD23 LEU 55 HD23 LEU 55 6.235 3.920 -3.132 448 H TRP 56 HN TRP 56 8.568 -0.215 -6.431 449 HA TRP 56 HA TRP 56 6.008 -1.154 -7.187 450 HB2 TRP 56 HB2 TRP 56 8.773 -1.723 -8.237 451 HB3 TRP 56 HB1 TRP 56 7.289 -2.311 -8.971 452 HD1 TRP 56 HD1 TRP 56 9.312 0.889 -8.486 453 HE1 TRP 56 HE1 TRP 56 8.388 2.685 -10.102 454 HE3 TRP 56 HE3 TRP 56 5.221 -1.596 -10.176 455 HZ2 TRP 56 HZ2 TRP 56 6.214 2.991 -11.850 456 HZ3 TRP 56 HZ3 TRP 56 3.750 -0.492 -11.826 457 HH2 TRP 56 HH2 TRP 56 4.245 1.754 -12.640 458 H HIS 57 HN HIS 57 8.185 -2.278 -4.949 459 HA HIS 57 HA HIS 57 7.277 -5.047 -5.244 460 HB2 HIS 57 HB2 HIS 57 9.604 -3.895 -3.671 461 HB3 HIS 57 HB1 HIS 57 9.147 -5.593 -3.669 462 HD1 HIS 57 HD1 HIS 57 10.942 -3.000 -5.791 463 HD2 HIS 57 HD2 HIS 57 9.762 -6.994 -6.027 464 HE1 HIS 57 HE1 HIS 57 12.160 -3.962 -7.712 465 H LEU 58 HN LEU 58 6.905 -2.206 -3.492 466 HA LEU 58 HA LEU 58 6.071 -3.299 -0.949 467 HB2 LEU 58 HB2 LEU 58 7.164 -1.141 -1.084 468 HB3 LEU 58 HB1 LEU 58 5.945 -0.551 -2.163 469 HG LEU 58 HG LEU 58 4.265 -0.788 -0.303 470 HD11 LEU 58 HD11 LEU 58 5.424 -2.387 1.086 471 HD12 LEU 58 HD12 LEU 58 5.078 -0.913 1.989 472 HD13 LEU 58 HD13 LEU 58 6.710 -1.219 1.395 473 HD21 LEU 58 HD21 LEU 58 4.973 1.248 0.873 474 HD22 LEU 58 HD22 LEU 58 5.182 1.379 -0.872 475 HD23 LEU 58 HD23 LEU 58 6.581 1.096 0.160 476 H PHE 59 HN PHE 59 4.565 -1.530 -3.574 477 HA PHE 59 HA PHE 59 1.900 -1.917 -2.657 478 HB2 PHE 59 HB2 PHE 59 2.983 -1.098 -5.357 479 HB3 PHE 59 HB1 PHE 59 1.263 -1.183 -5.014 480 HD1 PHE 59 HD2 PHE 59 0.222 0.373 -3.479 481 HD2 PHE 59 HD1 PHE 59 4.350 0.678 -4.445 482 HE1 PHE 59 HE2 PHE 59 0.267 2.651 -2.559 483 HE2 PHE 59 HE1 PHE 59 4.397 2.965 -3.523 484 HZ PHE 59 HZ PHE 59 2.358 3.946 -2.580 485 H ASN 60 HN ASN 60 4.024 -3.740 -4.553 486 HA ASN 60 HA ASN 60 2.125 -5.668 -5.537 487 HB2 ASN 60 HB2 ASN 60 4.304 -5.230 -6.647 488 HB3 ASN 60 HB1 ASN 60 5.138 -5.843 -5.221 489 HD21 ASN 60 HD21 ASN 60 3.477 -6.617 -8.121 490 HD22 ASN 60 HD22 ASN 60 3.705 -8.327 -8.034 491 H THR 61 HN THR 61 1.612 -7.543 -4.545 492 HA THR 61 HA THR 61 1.423 -9.211 -3.044 493 HB THR 61 HB THR 61 3.899 -8.009 -1.766 494 HG1 THR 61 HG1 THR 61 4.845 -9.227 -3.115 495 HG21 THR 61 HG21 THR 61 2.578 -9.089 0.003 496 HG22 THR 61 HG22 THR 61 4.024 -10.037 -0.358 497 HG23 THR 61 HG23 THR 61 2.450 -10.543 -0.981 498 H LEU 62 HN LEU 62 1.747 -5.921 -1.815 499 HA LEU 62 HA LEU 62 0.386 -6.103 0.531 500 HB2 LEU 62 HB2 LEU 62 1.709 -4.279 -0.435 501 HB3 LEU 62 HB1 LEU 62 0.454 -4.021 -1.591 502 HG LEU 62 HG LEU 62 -1.142 -3.643 0.089 503 HD11 LEU 62 HD11 LEU 62 -0.436 -2.991 2.409 504 HD12 LEU 62 HD12 LEU 62 1.187 -3.544 2.012 505 HD13 LEU 62 HD13 LEU 62 -0.151 -4.694 2.046 506 HD21 LEU 62 HD21 LEU 62 -0.469 -1.349 0.670 507 HD22 LEU 62 HD22 LEU 62 -0.215 -1.772 -1.024 508 HD23 LEU 62 HD23 LEU 62 1.161 -1.719 0.094 509 H GLN 63 HN GLN 63 -0.653 -5.439 -2.755 510 HA GLN 63 HA GLN 63 -3.400 -5.195 -2.268 511 HB2 GLN 63 HB2 GLN 63 -3.640 -5.557 -4.719 512 HB3 GLN 63 HB1 GLN 63 -2.494 -4.303 -4.268 513 HG2 GLN 63 HG2 GLN 63 -0.640 -5.821 -4.670 514 HG3 GLN 63 HG1 GLN 63 -1.769 -7.114 -5.068 515 HE21 GLN 63 HE21 GLN 63 0.320 -5.836 -6.632 516 HE22 GLN 63 HE22 GLN 63 -0.454 -5.252 -8.067 517 H ARG 64 HN ARG 64 -1.491 -7.995 -2.184 518 HA ARG 64 HA ARG 64 -3.579 -9.773 -3.055 519 HB2 ARG 64 HB2 ARG 64 -0.916 -10.358 -1.766 520 HB3 ARG 64 HB1 ARG 64 -2.046 -11.596 -2.285 521 HG2 ARG 64 HG2 ARG 64 -1.854 -10.671 -4.589 522 HG3 ARG 64 HG1 ARG 64 -0.558 -9.628 -4.002 523 HD2 ARG 64 HD2 ARG 64 0.325 -11.676 -5.023 524 HD3 ARG 64 HD1 ARG 64 0.723 -11.592 -3.301 525 HE ARG 64 HE ARG 64 -1.711 -12.965 -3.819 526 HH11 ARG 64 HH11 ARG 64 1.783 -13.477 -3.880 527 HH12 ARG 64 HH12 ARG 64 1.703 -15.119 -3.460 528 HH21 ARG 64 HH21 ARG 64 -1.833 -15.199 -3.242 529 HH22 ARG 64 HH22 ARG 64 -0.423 -16.139 -3.094 530 H ARG 65 HN ARG 65 -2.539 -8.258 -0.206 531 HA ARG 65 HA ARG 65 -3.455 -10.206 1.653 532 HB2 ARG 65 HB2 ARG 65 -2.915 -7.267 2.132 533 HB3 ARG 65 HB1 ARG 65 -2.925 -8.548 3.335 534 HG2 ARG 65 HG2 ARG 65 -0.943 -8.305 1.074 535 HG3 ARG 65 HG1 ARG 65 -0.658 -7.799 2.733 536 HD2 ARG 65 HD2 ARG 65 -1.391 -10.623 1.984 537 HD3 ARG 65 HD1 ARG 65 0.273 -10.053 2.056 538 HE ARG 65 HE ARG 65 -0.772 -9.340 4.453 539 HH11 ARG 65 HH11 ARG 65 -0.634 -12.463 2.745 540 HH12 ARG 65 HH12 ARG 65 -0.350 -13.356 4.156 541 HH21 ARG 65 HH21 ARG 65 -0.399 -10.584 6.379 542 HH22 ARG 65 HH22 ARG 65 -0.250 -12.274 6.288 543 HA PRO 66 HA PRO 66 -7.681 -8.747 1.682 544 HB2 PRO 66 HB2 PRO 66 -8.160 -9.727 4.339 545 HB3 PRO 66 HB1 PRO 66 -8.595 -10.495 2.812 546 HG2 PRO 66 HG2 PRO 66 -6.726 -11.497 4.549 547 HG3 PRO 66 HG1 PRO 66 -6.756 -11.805 2.804 548 HD2 PRO 66 HD2 PRO 66 -5.089 -9.846 4.328 549 HD3 PRO 66 HD1 PRO 66 -4.628 -10.930 2.999 550 H GLY 67 HN GLY 67 -8.248 -6.766 1.979 551 HA2 GLY 67 HA2 GLY 67 -8.772 -4.722 2.951 552 HA3 GLY 67 HA1 GLY 67 -8.756 -5.577 4.482 553 H TRP 68 HN TRP 68 -6.041 -5.162 2.285 554 HA TRP 68 HA TRP 68 -4.178 -4.497 4.228 555 HB2 TRP 68 HB2 TRP 68 -2.776 -3.631 2.333 556 HB3 TRP 68 HB1 TRP 68 -3.301 -5.276 2.127 557 HD1 TRP 68 HD1 TRP 68 -5.096 -5.717 0.135 558 HE1 TRP 68 HE1 TRP 68 -5.638 -4.359 -1.993 559 HE3 TRP 68 HE3 TRP 68 -2.978 -1.242 1.428 560 HZ2 TRP 68 HZ2 TRP 68 -5.241 -1.765 -2.977 561 HZ3 TRP 68 HZ3 TRP 68 -3.109 0.627 -0.174 562 HH2 TRP 68 HH2 TRP 68 -4.211 0.361 -2.331 563 H VAL 69 HN VAL 69 -6.468 -2.503 2.708 564 HA VAL 69 HA VAL 69 -5.064 -0.103 2.638 565 HB VAL 69 HB VAL 69 -8.048 -0.336 2.914 566 HG11 VAL 69 HG11 VAL 69 -6.264 1.824 1.816 567 HG12 VAL 69 HG12 VAL 69 -7.228 1.913 3.291 568 HG13 VAL 69 HG13 VAL 69 -8.022 1.830 1.719 569 HG21 VAL 69 HG21 VAL 69 -8.087 -0.323 0.482 570 HG22 VAL 69 HG22 VAL 69 -7.184 -1.714 1.075 571 HG23 VAL 69 HG23 VAL 69 -6.324 -0.314 0.434 572 H GLU 70 HN GLU 70 -7.072 -1.337 5.419 573 HA GLU 70 HA GLU 70 -7.050 1.091 6.770 574 HB2 GLU 70 HB2 GLU 70 -7.263 -1.719 7.770 575 HB3 GLU 70 HB1 GLU 70 -7.492 -0.295 8.759 576 HG2 GLU 70 HG2 GLU 70 -9.333 0.346 7.117 577 HG3 GLU 70 HG1 GLU 70 -9.196 -1.309 6.514 578 H TYR 71 HN TYR 71 -4.745 -1.572 6.704 579 HA TYR 71 HA TYR 71 -3.176 -0.574 8.834 580 HB2 TYR 71 HB2 TYR 71 -2.305 -2.412 6.592 581 HB3 TYR 71 HB1 TYR 71 -1.580 -2.186 8.156 582 HD1 TYR 71 HD2 TYR 71 -2.506 -3.184 10.165 583 HD2 TYR 71 HD1 TYR 71 -4.321 -3.806 6.372 584 HE1 TYR 71 HE2 TYR 71 -3.792 -5.063 11.091 585 HE2 TYR 71 HE1 TYR 71 -5.608 -5.687 7.289 586 HH TYR 71 HH TYR 71 -5.420 -7.280 9.147 587 H PHE 72 HN PHE 72 -3.252 -0.341 5.348 588 HA PHE 72 HA PHE 72 -0.775 0.900 4.915 589 HB2 PHE 72 HB2 PHE 72 -2.164 -0.259 3.201 590 HB3 PHE 72 HB1 PHE 72 -3.280 1.093 3.241 591 HD1 PHE 72 HD2 PHE 72 0.342 0.395 2.725 592 HD2 PHE 72 HD1 PHE 72 -3.041 2.729 1.650 593 HE1 PHE 72 HE2 PHE 72 1.670 1.497 0.971 594 HE2 PHE 72 HE1 PHE 72 -1.722 3.836 -0.116 595 HZ PHE 72 HZ PHE 72 0.636 3.219 -0.450 596 H ILE 73 HN ILE 73 -3.961 2.258 5.522 597 HA ILE 73 HA ILE 73 -3.356 4.974 5.172 598 HB ILE 73 HB ILE 73 -5.265 3.697 7.161 599 HG12 ILE 73 HG12 ILE 73 -5.798 4.872 4.431 600 HG13 ILE 73 HG11 ILE 73 -5.626 3.153 4.758 601 HG21 ILE 73 HG21 ILE 73 -4.768 6.012 7.804 602 HG22 ILE 73 HG22 ILE 73 -6.421 5.854 7.216 603 HG23 ILE 73 HG23 ILE 73 -5.182 6.555 6.176 604 HD11 ILE 73 HD11 ILE 73 -7.930 3.741 4.569 605 HD12 ILE 73 HD12 ILE 73 -7.755 4.992 5.795 606 HD13 ILE 73 HD13 ILE 73 -7.595 3.287 6.245 607 H ALA 74 HN ALA 74 -3.055 2.928 8.026 608 HA ALA 74 HA ALA 74 -1.980 5.011 9.657 609 HB1 ALA 74 HB1 ALA 74 -2.057 2.033 10.082 610 HB2 ALA 74 HB2 ALA 74 -3.259 3.195 10.642 611 HB3 ALA 74 HB3 ALA 74 -1.626 3.223 11.306 612 H ALA 75 HN ALA 75 -0.709 3.060 7.247 613 HA ALA 75 HA ALA 75 1.955 2.923 8.267 614 HB1 ALA 75 HB1 ALA 75 2.550 2.019 6.077 615 HB2 ALA 75 HB2 ALA 75 0.940 2.374 5.461 616 HB3 ALA 75 HB3 ALA 75 1.162 1.162 6.717 617 H LEU 76 HN LEU 76 0.324 4.880 5.618 618 HA LEU 76 HA LEU 76 2.501 6.542 5.215 619 HB2 LEU 76 HB2 LEU 76 -0.451 6.950 4.885 620 HB3 LEU 76 HB1 LEU 76 0.716 8.175 4.460 621 HG LEU 76 HG LEU 76 -0.006 7.141 2.569 622 HD11 LEU 76 HD11 LEU 76 2.744 6.067 3.175 623 HD12 LEU 76 HD12 LEU 76 2.348 7.653 2.516 624 HD13 LEU 76 HD13 LEU 76 2.053 6.202 1.559 625 HD21 LEU 76 HD21 LEU 76 0.244 4.742 2.049 626 HD22 LEU 76 HD22 LEU 76 -0.930 5.129 3.298 627 HD23 LEU 76 HD23 LEU 76 0.650 4.475 3.750 628 H ARG 77 HN ARG 77 -0.228 6.765 7.457 629 HA ARG 77 HA ARG 77 0.532 9.315 8.414 630 HB2 ARG 77 HB2 ARG 77 -1.739 8.412 8.677 631 HB3 ARG 77 HB1 ARG 77 -1.129 7.224 9.806 632 HG2 ARG 77 HG2 ARG 77 -0.620 8.830 11.449 633 HG3 ARG 77 HG1 ARG 77 -0.797 10.166 10.313 634 HD2 ARG 77 HD2 ARG 77 -2.679 9.988 11.870 635 HD3 ARG 77 HD1 ARG 77 -3.182 9.782 10.193 636 HE ARG 77 HE ARG 77 -2.639 7.305 11.480 637 HH11 ARG 77 HH11 ARG 77 -5.041 9.862 11.232 638 HH12 ARG 77 HH12 ARG 77 -6.390 8.885 11.560 639 HH21 ARG 77 HH21 ARG 77 -4.472 5.909 11.995 640 HH22 ARG 77 HH22 ARG 77 -6.049 6.512 11.980 641 H GLY 78 HN GLY 78 1.477 6.129 9.237 642 HA2 GLY 78 HA2 GLY 78 2.810 6.615 11.663 643 HA3 GLY 78 HA1 GLY 78 3.194 5.314 10.546 644 H CYS 79 HN CYS 79 3.833 7.091 8.336 645 HA CYS 79 HA CYS 79 6.420 7.999 9.286 646 HB2 CYS 79 HB2 CYS 79 6.941 8.050 6.755 647 HB3 CYS 79 HB1 CYS 79 6.728 6.490 7.521 648 HG CYS 79 HG CYS 79 4.283 5.929 6.488 649 H GLU 80 HN GLU 80 3.760 9.339 9.485 650 HA GLU 80 HA GLU 80 2.978 11.392 9.737 651 HB2 GLU 80 HB2 GLU 80 5.756 12.295 8.992 652 HB3 GLU 80 HB1 GLU 80 4.501 13.344 9.627 653 HG2 GLU 80 HG2 GLU 80 5.775 11.013 11.049 654 HG3 GLU 80 HG1 GLU 80 6.053 12.719 11.381 655 H LEU 81 HN LEU 81 3.105 10.074 7.027 656 HA LEU 81 HA LEU 81 2.670 12.403 5.350 657 HB2 LEU 81 HB2 LEU 81 2.620 9.450 4.692 658 HB3 LEU 81 HB1 LEU 81 2.462 10.750 3.524 659 HG LEU 81 HG LEU 81 4.922 10.373 5.234 660 HD11 LEU 81 HD11 LEU 81 4.430 9.433 2.418 661 HD12 LEU 81 HD12 LEU 81 4.603 8.410 3.842 662 HD13 LEU 81 HD13 LEU 81 5.964 9.378 3.280 663 HD21 LEU 81 HD21 LEU 81 5.970 11.790 3.534 664 HD22 LEU 81 HD22 LEU 81 4.631 12.623 4.325 665 HD23 LEU 81 HD23 LEU 81 4.424 11.946 2.707 666 H VAL 82 HN VAL 82 0.907 13.068 6.547 667 HA VAL 82 HA VAL 82 -1.340 11.435 7.147 668 HB VAL 82 HB VAL 82 -1.139 14.457 7.204 669 HG11 VAL 82 HG11 VAL 82 -3.456 13.703 7.267 670 HG12 VAL 82 HG12 VAL 82 -2.974 14.356 8.833 671 HG13 VAL 82 HG13 VAL 82 -3.078 12.611 8.598 672 HG21 VAL 82 HG21 VAL 82 -0.649 14.181 9.597 673 HG22 VAL 82 HG22 VAL 82 0.581 13.429 8.582 674 HG23 VAL 82 HG23 VAL 82 -0.633 12.430 9.381 675 H ASP 83 HN ASP 83 -0.617 13.697 4.568 676 HA ASP 83 HA ASP 83 -3.290 13.903 3.640 677 HB2 ASP 83 HB2 ASP 83 -2.421 15.086 1.719 678 HB3 ASP 83 HB1 ASP 83 -1.518 15.599 3.133 679 H LEU 84 HN LEU 84 -0.569 11.924 2.656 680 HA LEU 84 HA LEU 84 -1.855 10.560 0.557 681 HB2 LEU 84 HB2 LEU 84 0.400 9.698 2.357 682 HB3 LEU 84 HB1 LEU 84 -0.140 8.771 0.973 683 HG LEU 84 HG LEU 84 0.956 11.584 0.818 684 HD11 LEU 84 HD11 LEU 84 2.934 10.523 -0.159 685 HD12 LEU 84 HD12 LEU 84 2.239 8.932 0.149 686 HD13 LEU 84 HD13 LEU 84 2.671 9.984 1.497 687 HD21 LEU 84 HD21 LEU 84 -0.604 11.052 -0.979 688 HD22 LEU 84 HD22 LEU 84 0.274 9.550 -1.277 689 HD23 LEU 84 HD23 LEU 84 1.061 11.088 -1.577 690 H ALA 85 HN ALA 85 -1.635 9.856 3.990 691 HA ALA 85 HA ALA 85 -2.937 7.383 4.010 692 HB1 ALA 85 HB1 ALA 85 -1.733 8.314 5.942 693 HB2 ALA 85 HB2 ALA 85 -3.375 7.852 6.378 694 HB3 ALA 85 HB3 ALA 85 -2.973 9.549 6.118 695 H ASP 86 HN ASP 86 -4.149 10.664 4.161 696 HA ASP 86 HA ASP 86 -6.853 10.045 4.676 697 HB2 ASP 86 HB2 ASP 86 -5.898 12.249 5.132 698 HB3 ASP 86 HB1 ASP 86 -5.701 12.521 3.409 699 H GLU 87 HN GLU 87 -5.116 10.639 1.633 700 HA GLU 87 HA GLU 87 -7.524 10.731 0.154 701 HB2 GLU 87 HB2 GLU 87 -6.251 10.975 -1.837 702 HB3 GLU 87 HB1 GLU 87 -5.290 11.708 -0.563 703 HG2 GLU 87 HG2 GLU 87 -3.805 9.853 -0.514 704 HG3 GLU 87 HG1 GLU 87 -4.784 8.986 -1.704 705 H VAL 88 HN VAL 88 -5.450 8.105 1.079 706 HA VAL 88 HA VAL 88 -6.772 6.244 -0.665 707 HB VAL 88 HB VAL 88 -5.009 5.672 1.740 708 HG11 VAL 88 HG11 VAL 88 -4.635 3.492 0.665 709 HG12 VAL 88 HG12 VAL 88 -5.757 3.942 -0.614 710 HG13 VAL 88 HG13 VAL 88 -6.337 3.758 1.044 711 HG21 VAL 88 HG21 VAL 88 -3.172 5.404 0.141 712 HG22 VAL 88 HG22 VAL 88 -3.821 7.043 0.103 713 HG23 VAL 88 HG23 VAL 88 -4.240 5.901 -1.172 714 H ALA 89 HN ALA 89 -7.054 7.351 2.632 715 HA ALA 89 HA ALA 89 -8.728 5.416 3.732 716 HB1 ALA 89 HB1 ALA 89 -8.710 8.367 4.345 717 HB2 ALA 89 HB2 ALA 89 -7.609 7.179 5.037 718 HB3 ALA 89 HB3 ALA 89 -9.336 7.087 5.386 719 H SER 90 HN SER 90 -9.531 8.318 1.918 720 HA SER 90 HA SER 90 -12.322 8.122 2.231 721 HB2 SER 90 HB2 SER 90 -10.748 9.449 0.022 722 HB3 SER 90 HB1 SER 90 -12.422 9.804 0.471 723 HG SER 90 HG SER 90 -11.003 10.003 2.681 724 H VAL 91 HN VAL 91 -10.109 6.576 0.004 725 HA VAL 91 HA VAL 91 -12.001 5.833 -1.994 726 HB VAL 91 HB VAL 91 -9.358 4.489 -1.325 727 HG11 VAL 91 HG11 VAL 91 -9.381 3.771 -3.676 728 HG12 VAL 91 HG12 VAL 91 -11.007 4.439 -3.842 729 HG13 VAL 91 HG13 VAL 91 -10.710 3.096 -2.737 730 HG21 VAL 91 HG21 VAL 91 -9.026 6.852 -1.769 731 HG22 VAL 91 HG22 VAL 91 -9.927 6.704 -3.278 732 HG23 VAL 91 HG23 VAL 91 -8.385 5.870 -3.084 733 H TYR 92 HN TYR 92 -10.508 4.070 0.682 734 HA TYR 92 HA TYR 92 -12.120 1.730 0.159 735 HB2 TYR 92 HB2 TYR 92 -9.747 1.699 0.823 736 HB3 TYR 92 HB1 TYR 92 -10.205 2.286 2.415 737 HD1 TYR 92 HD2 TYR 92 -10.526 -0.530 0.053 738 HD2 TYR 92 HD1 TYR 92 -10.898 0.770 4.061 739 HE1 TYR 92 HE2 TYR 92 -10.719 -2.881 0.768 740 HE2 TYR 92 HE1 TYR 92 -11.088 -1.589 4.817 741 HH TYR 92 HH TYR 92 -11.691 -3.682 3.921 742 H GLN 93 HN GLN 93 -12.682 4.527 1.655 743 HA GLN 93 HA GLN 93 -14.232 3.704 3.904 744 HB2 GLN 93 HB2 GLN 93 -13.401 6.044 3.555 745 HB3 GLN 93 HB1 GLN 93 -14.564 6.214 2.249 746 HG2 GLN 93 HG2 GLN 93 -16.381 5.783 3.870 747 HG3 GLN 93 HG1 GLN 93 -15.177 5.753 5.155 748 HE21 GLN 93 HE21 GLN 93 -17.425 7.504 4.766 749 HE22 GLN 93 HE22 GLN 93 -16.816 9.112 4.701 750 H SER 94 HN SER 94 -14.880 4.258 0.460 751 HA SER 94 HA SER 94 -17.621 3.508 0.829 752 HB2 SER 94 HB2 SER 94 -17.545 3.738 -1.763 753 HB3 SER 94 HB1 SER 94 -17.433 5.194 -0.774 754 HG SER 94 HG SER 94 -15.653 4.222 -2.537 755 H TYR 95 HN TYR 95 -14.640 2.159 -0.473 756 HA TYR 95 HA TYR 95 -15.945 -0.314 -1.253 757 HB2 TYR 95 HB2 TYR 95 -13.003 0.372 -1.110 758 HB3 TYR 95 HB1 TYR 95 -13.678 -1.097 -1.778 759 HD1 TYR 95 HD1 TYR 95 -15.548 -0.611 -3.655 760 HD2 TYR 95 HD2 TYR 95 -12.377 1.975 -2.584 761 HE1 TYR 95 HE1 TYR 95 -15.676 0.450 -5.867 762 HE2 TYR 95 HE2 TYR 95 -12.490 3.054 -4.785 763 HH TYR 95 HH TYR 95 -13.249 2.554 -7.000 764 H GLN 96 HN GLN 96 -16.899 -0.967 0.583 765 HA GLN 96 HA GLN 96 -17.194 -1.876 2.614 766 HB2 GLN 96 HB2 GLN 96 -14.817 -3.490 1.696 767 HB3 GLN 96 HB1 GLN 96 -15.810 -3.908 3.084 768 HG2 GLN 96 HG2 GLN 96 -17.768 -4.053 1.580 769 HG3 GLN 96 HG1 GLN 96 -16.696 -3.758 0.211 770 HE21 GLN 96 HE21 GLN 96 -17.627 -5.994 2.679 771 HE22 GLN 96 HE22 GLN 96 -16.849 -7.380 2.022 772 HA PRO 97 HA PRO 97 -14.277 0.829 4.897 773 HB2 PRO 97 HB2 PRO 97 -16.060 1.657 6.727 774 HB3 PRO 97 HB1 PRO 97 -16.055 2.317 5.083 775 HG2 PRO 97 HG2 PRO 97 -17.694 0.067 6.195 776 HG3 PRO 97 HG1 PRO 97 -18.308 1.493 5.367 777 HD2 PRO 97 HD2 PRO 97 -17.997 -0.764 4.054 778 HD3 PRO 97 HD1 PRO 97 -17.457 0.738 3.270 779 H ARG 98 HN ARG 98 -16.059 -1.896 5.710 780 HA ARG 98 HA ARG 98 -14.364 -2.722 7.848 781 HB2 ARG 98 HB2 ARG 98 -16.218 -2.977 9.464 782 HB3 ARG 98 HB1 ARG 98 -15.964 -1.275 9.072 783 HG2 ARG 98 HG2 ARG 98 -17.853 -1.310 7.550 784 HG3 ARG 98 HG1 ARG 98 -18.088 -3.031 7.842 785 HD2 ARG 98 HD2 ARG 98 -18.500 -2.480 10.236 786 HD3 ARG 98 HD1 ARG 98 -18.416 -0.770 9.790 787 HE ARG 98 HE ARG 98 -20.251 -2.387 8.260 788 HH11 ARG 98 HH11 ARG 98 -19.917 -0.308 11.090 789 HH12 ARG 98 HH12 ARG 98 -21.530 0.199 11.111 790 HH21 ARG 98 HH21 ARG 98 -22.446 -1.716 8.256 791 HH22 ARG 98 HH22 ARG 98 -23.048 -0.629 9.422 792 H THR 99 HN THR 99 -14.888 -5.035 8.257 793 HA THR 99 HA THR 99 -16.253 -6.210 6.012 794 HB THR 99 HB THR 99 -14.928 -7.611 8.360 795 HG1 THR 99 HG1 THR 99 -13.970 -6.768 5.825 796 HG21 THR 99 HG21 THR 99 -15.615 -8.573 5.566 797 HG22 THR 99 HG22 THR 99 -16.464 -9.030 7.040 798 HG23 THR 99 HG23 THR 99 -14.788 -9.521 6.802 799 H SER 100 HN SER 100 -18.225 -5.258 6.573 800 HA SER 100 HA SER 100 -20.094 -6.904 7.774 801 HB2 SER 100 HB2 SER 100 -18.997 -5.943 9.888 802 HB3 SER 100 HB1 SER 100 -19.512 -4.352 9.347 803 HG SER 100 HG SER 100 -21.117 -6.568 10.070 Start of MODEL 20 1 H1 GLY -1 HT1 GLY -1 -9.337 -6.038 4.650 2 H2 GLY -1 HT2 GLY -1 -10.533 -4.899 4.958 3 H3 GLY -1 HT3 GLY -1 -10.757 -6.073 3.778 4 HA2 GLY -1 HA1 GLY -1 -10.505 -6.585 6.691 5 HA3 GLY -1 HA2 GLY -1 -11.994 -6.671 5.770 6 H SER 0 HN SER 0 -12.400 -8.457 4.536 7 HA SER 0 HA SER 0 -10.317 -10.455 4.270 8 HB2 SER 0 HB2 SER 0 -13.046 -11.000 5.492 9 HB3 SER 0 HB1 SER 0 -11.831 -12.225 5.114 10 HG SER 0 HG SER 0 -10.558 -10.492 6.498 11 H MET 1 HN MET 1 -10.505 -11.611 2.372 12 HA MET 1 HA MET 1 -11.095 -12.148 0.341 13 HB2 MET 1 HB2 MET 1 -13.880 -11.190 1.067 14 HB3 MET 1 HB1 MET 1 -13.452 -11.931 -0.471 15 HG2 MET 1 HG2 MET 1 -12.844 -13.993 0.691 16 HG3 MET 1 HG1 MET 1 -13.245 -13.239 2.230 17 HE1 MET 1 HE1 MET 1 -14.392 -16.045 1.080 18 HE2 MET 1 HE2 MET 1 -16.050 -15.923 1.676 19 HE3 MET 1 HE3 MET 1 -14.709 -15.399 2.689 20 HA PRO 2 HA PRO 2 -9.943 -7.991 -0.687 21 HB2 PRO 2 HB2 PRO 2 -8.408 -8.641 -2.868 22 HB3 PRO 2 HB1 PRO 2 -7.892 -8.797 -1.168 23 HG2 PRO 2 HG2 PRO 2 -8.958 -10.919 -2.979 24 HG3 PRO 2 HG1 PRO 2 -7.547 -10.966 -1.907 25 HD2 PRO 2 HD2 PRO 2 -9.925 -12.019 -1.217 26 HD3 PRO 2 HD1 PRO 2 -8.863 -11.288 -0.005 27 H PHE 3 HN PHE 3 -11.586 -7.019 -1.303 28 HA PHE 3 HA PHE 3 -12.697 -7.363 -4.009 29 HB2 PHE 3 HB2 PHE 3 -14.168 -8.584 -2.459 30 HB3 PHE 3 HB1 PHE 3 -14.216 -7.183 -1.401 31 HD1 PHE 3 HD1 PHE 3 -15.255 -8.403 -4.743 32 HD2 PHE 3 HD2 PHE 3 -15.852 -5.546 -1.646 33 HE1 PHE 3 HE1 PHE 3 -17.321 -7.635 -5.835 34 HE2 PHE 3 HE2 PHE 3 -17.908 -4.777 -2.741 35 HZ PHE 3 HZ PHE 3 -18.643 -5.827 -4.839 36 H ALA 4 HN ALA 4 -13.237 -5.484 -1.071 37 HA ALA 4 HA ALA 4 -13.629 -3.071 -2.528 38 HB1 ALA 4 HB1 ALA 4 -13.911 -2.058 -0.319 39 HB2 ALA 4 HB2 ALA 4 -13.278 -3.520 0.438 40 HB3 ALA 4 HB3 ALA 4 -14.809 -3.566 -0.433 41 H GLU 5 HN GLU 5 -11.064 -4.630 -0.797 42 HA GLU 5 HA GLU 5 -9.253 -2.484 -0.611 43 HB2 GLU 5 HB2 GLU 5 -8.624 -5.444 -0.765 44 HB3 GLU 5 HB1 GLU 5 -7.620 -4.191 -0.065 45 HG2 GLU 5 HG2 GLU 5 -8.510 -5.250 1.812 46 HG3 GLU 5 HG1 GLU 5 -9.555 -3.862 1.594 47 H ASP 6 HN ASP 6 -9.924 -4.989 -2.922 48 HA ASP 6 HA ASP 6 -7.716 -4.547 -4.660 49 HB2 ASP 6 HB2 ASP 6 -8.946 -6.669 -4.650 50 HB3 ASP 6 HB1 ASP 6 -10.391 -5.843 -5.218 51 H LYS 7 HN LYS 7 -11.070 -3.462 -4.663 52 HA LYS 7 HA LYS 7 -10.976 -1.956 -7.031 53 HB2 LYS 7 HB2 LYS 7 -12.662 -1.559 -4.570 54 HB3 LYS 7 HB1 LYS 7 -12.919 -0.719 -6.092 55 HG2 LYS 7 HG2 LYS 7 -13.312 -2.873 -7.198 56 HG3 LYS 7 HG1 LYS 7 -13.095 -3.689 -5.646 57 HD2 LYS 7 HD2 LYS 7 -14.946 -2.387 -4.726 58 HD3 LYS 7 HD1 LYS 7 -15.152 -1.618 -6.299 59 HE2 LYS 7 HE2 LYS 7 -15.455 -4.576 -5.740 60 HE3 LYS 7 HE1 LYS 7 -16.778 -3.425 -5.914 61 HZ1 LYS 7 HZ1 LYS 7 -16.045 -3.029 -8.209 62 HZ2 LYS 7 HZ2 LYS 7 -16.413 -4.645 -7.964 63 HZ3 LYS 7 HZ3 LYS 7 -14.807 -4.148 -8.022 64 H THR 8 HN THR 8 -10.154 -1.173 -3.715 65 HA THR 8 HA THR 8 -9.599 1.557 -4.075 66 HB THR 8 HB THR 8 -8.396 -0.423 -2.101 67 HG1 THR 8 HG1 THR 8 -10.625 -0.294 -1.792 68 HG21 THR 8 HG21 THR 8 -7.903 1.555 -0.704 69 HG22 THR 8 HG22 THR 8 -8.487 2.610 -1.991 70 HG23 THR 8 HG23 THR 8 -7.041 1.629 -2.239 71 H TYR 9 HN TYR 9 -7.544 -1.346 -4.295 72 HA TYR 9 HA TYR 9 -5.129 -0.101 -4.885 73 HB2 TYR 9 HB2 TYR 9 -5.137 -2.460 -4.331 74 HB3 TYR 9 HB1 TYR 9 -6.128 -2.832 -5.743 75 HD1 TYR 9 HD2 TYR 9 -2.807 -1.475 -4.756 76 HD2 TYR 9 HD1 TYR 9 -5.101 -3.378 -7.794 77 HE1 TYR 9 HE2 TYR 9 -0.781 -1.765 -6.106 78 HE2 TYR 9 HE1 TYR 9 -3.082 -3.647 -9.159 79 HH TYR 9 HH TYR 9 0.063 -3.081 -7.910 80 H LYS 10 HN LYS 10 -7.740 -1.070 -7.035 81 HA LYS 10 HA LYS 10 -6.414 -0.584 -9.469 82 HB2 LYS 10 HB2 LYS 10 -9.372 -0.463 -8.884 83 HB3 LYS 10 HB1 LYS 10 -8.670 -0.527 -10.491 84 HG2 LYS 10 HG2 LYS 10 -8.504 -2.667 -8.364 85 HG3 LYS 10 HG1 LYS 10 -9.479 -2.710 -9.830 86 HD2 LYS 10 HD2 LYS 10 -6.460 -2.560 -9.789 87 HD3 LYS 10 HD1 LYS 10 -7.378 -4.045 -9.972 88 HE2 LYS 10 HE2 LYS 10 -8.355 -3.239 -12.029 89 HE3 LYS 10 HE1 LYS 10 -7.560 -1.678 -11.832 90 HZ1 LYS 10 HZ1 LYS 10 -6.421 -3.158 -13.386 91 HZ2 LYS 10 HZ2 LYS 10 -6.105 -4.249 -12.124 92 HZ3 LYS 10 HZ3 LYS 10 -5.455 -2.707 -12.098 93 H TYR 11 HN TYR 11 -7.652 1.609 -7.211 94 HA TYR 11 HA TYR 11 -7.759 3.821 -9.128 95 HB2 TYR 11 HB2 TYR 11 -9.401 3.476 -7.132 96 HB3 TYR 11 HB1 TYR 11 -8.042 3.921 -6.151 97 HD1 TYR 11 HD1 TYR 11 -7.132 6.181 -6.134 98 HD2 TYR 11 HD2 TYR 11 -10.562 5.212 -8.444 99 HE1 TYR 11 HE1 TYR 11 -7.661 8.571 -6.328 100 HE2 TYR 11 HE2 TYR 11 -11.103 7.601 -8.652 101 HH TYR 11 HH TYR 11 -8.895 10.053 -7.788 102 H ILE 12 HN ILE 12 -6.063 2.725 -6.262 103 HA ILE 12 HA ILE 12 -4.303 4.946 -6.044 104 HB ILE 12 HB ILE 12 -4.181 2.194 -4.773 105 HG12 ILE 12 HG12 ILE 12 -6.250 3.443 -4.298 106 HG13 ILE 12 HG11 ILE 12 -5.271 3.224 -2.842 107 HG21 ILE 12 HG21 ILE 12 -2.750 3.213 -3.062 108 HG22 ILE 12 HG22 ILE 12 -2.752 4.726 -3.966 109 HG23 ILE 12 HG23 ILE 12 -2.000 3.288 -4.659 110 HD11 ILE 12 HD11 ILE 12 -6.254 5.435 -2.916 111 HD12 ILE 12 HD12 ILE 12 -5.537 5.738 -4.494 112 HD13 ILE 12 HD13 ILE 12 -4.503 5.558 -3.076 113 H CYS 13 HN CYS 13 -4.066 1.950 -7.793 114 HA CYS 13 HA CYS 13 -1.264 2.034 -8.194 115 HB2 CYS 13 HB2 CYS 13 -2.816 0.060 -8.555 116 HB3 CYS 13 HB1 CYS 13 -3.325 0.824 -10.048 117 HG CYS 13 HG CYS 13 -0.907 -1.250 -9.649 118 H ARG 14 HN ARG 14 -3.874 3.771 -9.528 119 HA ARG 14 HA ARG 14 -2.616 4.642 -11.976 120 HB2 ARG 14 HB2 ARG 14 -4.810 6.053 -10.455 121 HB3 ARG 14 HB1 ARG 14 -4.427 6.224 -12.158 122 HG2 ARG 14 HG2 ARG 14 -5.213 3.982 -12.596 123 HG3 ARG 14 HG1 ARG 14 -5.479 3.726 -10.865 124 HD2 ARG 14 HD2 ARG 14 -7.067 5.613 -10.889 125 HD3 ARG 14 HD1 ARG 14 -6.903 5.703 -12.642 126 HE ARG 14 HE ARG 14 -7.544 3.103 -11.833 127 HH11 ARG 14 HH11 ARG 14 -9.040 6.320 -12.086 128 HH12 ARG 14 HH12 ARG 14 -10.621 5.746 -12.311 129 HH21 ARG 14 HH21 ARG 14 -9.734 2.286 -12.154 130 HH22 ARG 14 HH22 ARG 14 -11.022 3.383 -12.359 131 H ASN 15 HN ASN 15 -3.112 5.950 -8.750 132 HA ASN 15 HA ASN 15 -1.466 8.276 -9.372 133 HB2 ASN 15 HB2 ASN 15 -2.279 9.254 -7.246 134 HB3 ASN 15 HB1 ASN 15 -3.607 8.700 -8.273 135 HD21 ASN 15 HD21 ASN 15 -4.902 7.086 -7.640 136 HD22 ASN 15 HD22 ASN 15 -4.799 6.471 -6.031 137 H PHE 16 HN PHE 16 -0.621 5.568 -8.960 138 HA PHE 16 HA PHE 16 1.161 5.072 -6.899 139 HB2 PHE 16 HB2 PHE 16 0.762 3.636 -8.893 140 HB3 PHE 16 HB1 PHE 16 1.675 4.762 -9.868 141 HD1 PHE 16 HD1 PHE 16 4.173 4.961 -9.462 142 HD2 PHE 16 HD2 PHE 16 1.783 1.914 -7.697 143 HE1 PHE 16 HE1 PHE 16 6.183 3.610 -9.091 144 HE2 PHE 16 HE2 PHE 16 3.801 0.564 -7.313 145 HZ PHE 16 HZ PHE 16 5.998 1.412 -8.013 146 H SER 17 HN SER 17 1.355 7.487 -9.426 147 HA SER 17 HA SER 17 4.009 8.310 -9.230 148 HB2 SER 17 HB2 SER 17 2.889 10.389 -10.278 149 HB3 SER 17 HB1 SER 17 2.826 8.857 -11.158 150 HG SER 17 HG SER 17 0.784 10.309 -10.471 151 H ASN 18 HN ASN 18 1.148 9.020 -7.341 152 HA ASN 18 HA ASN 18 2.069 11.394 -6.056 153 HB2 ASN 18 HB2 ASN 18 0.002 9.348 -5.166 154 HB3 ASN 18 HB1 ASN 18 0.276 10.873 -4.355 155 HD21 ASN 18 HD21 ASN 18 -1.812 11.546 -4.655 156 HD22 ASN 18 HD22 ASN 18 -2.435 12.001 -6.200 157 H PHE 19 HN PHE 19 2.312 7.971 -5.502 158 HA PHE 19 HA PHE 19 3.420 8.293 -2.877 159 HB2 PHE 19 HB2 PHE 19 2.838 5.863 -4.557 160 HB3 PHE 19 HB1 PHE 19 3.584 5.786 -2.965 161 HD1 PHE 19 HD2 PHE 19 0.524 6.650 -4.810 162 HD2 PHE 19 HD1 PHE 19 2.303 6.084 -0.989 163 HE1 PHE 19 HE2 PHE 19 -1.701 6.685 -3.772 164 HE2 PHE 19 HE1 PHE 19 0.075 6.113 0.054 165 HZ PHE 19 HZ PHE 19 -1.926 6.416 -1.340 166 H CYS 20 HN CYS 20 4.762 8.795 -5.801 167 HA CYS 20 HA CYS 20 7.145 7.260 -5.534 168 HB2 CYS 20 HB2 CYS 20 6.464 9.616 -7.288 169 HB3 CYS 20 HB1 CYS 20 7.952 8.683 -7.405 170 HG CYS 20 HG CYS 20 5.040 6.969 -7.589 171 H ASN 21 HN ASN 21 6.128 9.413 -3.591 172 HA ASN 21 HA ASN 21 8.757 10.248 -2.724 173 HB2 ASN 21 HB2 ASN 21 7.761 12.253 -3.793 174 HB3 ASN 21 HB1 ASN 21 6.287 12.027 -2.874 175 HD21 ASN 21 HD21 ASN 21 9.595 13.068 -2.748 176 HD22 ASN 21 HD22 ASN 21 9.481 13.890 -1.238 177 H VAL 22 HN VAL 22 8.391 8.294 -1.481 178 HA VAL 22 HA VAL 22 6.992 8.857 1.002 179 HB VAL 22 HB VAL 22 5.387 7.566 -0.650 180 HG11 VAL 22 HG11 VAL 22 7.178 5.314 -0.079 181 HG12 VAL 22 HG12 VAL 22 6.866 6.146 -1.620 182 HG13 VAL 22 HG13 VAL 22 5.560 5.273 -0.810 183 HG21 VAL 22 HG21 VAL 22 4.528 6.104 1.099 184 HG22 VAL 22 HG22 VAL 22 4.896 7.711 1.714 185 HG23 VAL 22 HG23 VAL 22 6.000 6.373 2.035 186 H ASP 23 HN ASP 23 7.733 7.401 2.719 187 HA ASP 23 HA ASP 23 10.277 6.073 2.091 188 HB2 ASP 23 HB2 ASP 23 9.975 7.542 4.287 189 HB3 ASP 23 HB1 ASP 23 8.990 6.203 4.806 190 H VAL 24 HN VAL 24 10.286 3.890 1.934 191 HA VAL 24 HA VAL 24 7.660 2.650 2.157 192 HB VAL 24 HB VAL 24 10.160 1.433 0.979 193 HG11 VAL 24 HG11 VAL 24 8.433 -0.216 1.483 194 HG12 VAL 24 HG12 VAL 24 8.498 0.057 -0.277 195 HG13 VAL 24 HG13 VAL 24 7.239 0.809 0.684 196 HG21 VAL 24 HG21 VAL 24 7.952 2.917 -0.407 197 HG22 VAL 24 HG22 VAL 24 9.298 2.106 -1.203 198 HG23 VAL 24 HG23 VAL 24 9.596 3.519 -0.176 199 H VAL 25 HN VAL 25 10.715 2.607 3.761 200 HA VAL 25 HA VAL 25 10.163 0.015 4.898 201 HB VAL 25 HB VAL 25 12.293 0.256 6.167 202 HG11 VAL 25 HG11 VAL 25 13.723 -0.097 4.174 203 HG12 VAL 25 HG12 VAL 25 12.417 0.520 3.165 204 HG13 VAL 25 HG13 VAL 25 12.198 -0.974 4.075 205 HG21 VAL 25 HG21 VAL 25 12.630 2.723 4.462 206 HG22 VAL 25 HG22 VAL 25 13.901 1.971 5.427 207 HG23 VAL 25 HG23 VAL 25 12.490 2.672 6.220 208 H GLU 26 HN GLU 26 10.030 3.350 5.916 209 HA GLU 26 HA GLU 26 9.559 2.898 8.614 210 HB2 GLU 26 HB2 GLU 26 8.843 5.077 6.682 211 HB3 GLU 26 HB1 GLU 26 8.454 5.223 8.359 212 HG2 GLU 26 HG2 GLU 26 11.200 4.881 7.196 213 HG3 GLU 26 HG1 GLU 26 10.515 6.368 7.843 214 H ILE 27 HN ILE 27 7.617 2.512 5.842 215 HA ILE 27 HA ILE 27 4.987 2.415 7.063 216 HB ILE 27 HB ILE 27 6.157 1.505 4.420 217 HG12 ILE 27 HG12 ILE 27 4.289 3.786 5.096 218 HG13 ILE 27 HG11 ILE 27 5.988 3.904 4.666 219 HG21 ILE 27 HG21 ILE 27 4.356 -0.020 4.886 220 HG22 ILE 27 HG22 ILE 27 3.920 1.072 3.574 221 HG23 ILE 27 HG23 ILE 27 3.256 1.330 5.186 222 HD11 ILE 27 HD11 ILE 27 5.492 3.082 2.437 223 HD12 ILE 27 HD12 ILE 27 4.540 4.518 2.811 224 HD13 ILE 27 HD13 ILE 27 3.786 2.924 2.861 225 H LEU 28 HN LEU 28 7.516 0.088 6.453 226 HA LEU 28 HA LEU 28 5.991 -2.214 6.631 227 HB2 LEU 28 HB2 LEU 28 8.881 -1.822 7.324 228 HB3 LEU 28 HB1 LEU 28 8.122 -3.400 7.188 229 HG LEU 28 HG LEU 28 8.309 -1.390 4.940 230 HD11 LEU 28 HD11 LEU 28 9.999 -2.869 4.011 231 HD12 LEU 28 HD12 LEU 28 9.905 -3.887 5.446 232 HD13 LEU 28 HD13 LEU 28 10.506 -2.235 5.576 233 HD21 LEU 28 HD21 LEU 28 6.397 -2.938 4.774 234 HD22 LEU 28 HD22 LEU 28 7.524 -4.297 4.929 235 HD23 LEU 28 HD23 LEU 28 7.621 -3.223 3.543 236 HA PRO 29 HA PRO 29 6.653 -2.567 11.450 237 HB2 PRO 29 HB2 PRO 29 7.059 -0.240 12.785 238 HB3 PRO 29 HB1 PRO 29 8.387 -1.279 12.253 239 HG2 PRO 29 HG2 PRO 29 7.250 1.160 10.952 240 HG3 PRO 29 HG1 PRO 29 8.955 0.739 11.223 241 HD2 PRO 29 HD2 PRO 29 7.799 0.392 8.846 242 HD3 PRO 29 HD1 PRO 29 8.963 -0.785 9.484 243 H TYR 30 HN TYR 30 4.995 -0.220 9.670 244 HA TYR 30 HA TYR 30 2.927 0.163 11.660 245 HB2 TYR 30 HB2 TYR 30 3.620 1.335 9.028 246 HB3 TYR 30 HB1 TYR 30 2.001 1.613 9.545 247 HD1 TYR 30 HD1 TYR 30 2.526 2.088 12.498 248 HD2 TYR 30 HD2 TYR 30 4.641 3.396 9.048 249 HE1 TYR 30 HE1 TYR 30 3.352 4.029 13.738 250 HE2 TYR 30 HE2 TYR 30 5.479 5.342 10.292 251 HH TYR 30 HH TYR 30 4.919 6.690 12.260 252 H LEU 31 HN LEU 31 3.709 -1.826 8.992 253 HA LEU 31 HA LEU 31 0.966 -2.845 8.816 254 HB2 LEU 31 HB2 LEU 31 3.146 -2.695 6.747 255 HB3 LEU 31 HB1 LEU 31 1.757 -3.730 6.577 256 HG LEU 31 HG LEU 31 0.295 -1.709 6.456 257 HD11 LEU 31 HD11 LEU 31 2.822 -0.196 6.650 258 HD12 LEU 31 HD12 LEU 31 1.478 -0.208 7.801 259 HD13 LEU 31 HD13 LEU 31 1.249 0.426 6.165 260 HD21 LEU 31 HD21 LEU 31 2.634 -1.668 4.593 261 HD22 LEU 31 HD22 LEU 31 1.057 -0.937 4.294 262 HD23 LEU 31 HD23 LEU 31 1.210 -2.693 4.431 263 HA PRO 32 HA PRO 32 3.433 -6.460 10.195 264 HB2 PRO 32 HB2 PRO 32 1.948 -7.223 12.276 265 HB3 PRO 32 HB1 PRO 32 3.055 -5.852 12.406 266 HG2 PRO 32 HG2 PRO 32 0.092 -5.865 12.119 267 HG3 PRO 32 HG1 PRO 32 1.131 -4.755 13.028 268 HD2 PRO 32 HD2 PRO 32 0.036 -4.302 10.474 269 HD3 PRO 32 HD1 PRO 32 1.323 -3.356 11.242 270 H CYS 33 HN CYS 33 0.709 -6.003 8.536 271 HA CYS 33 HA CYS 33 -0.526 -8.586 8.844 272 HB2 CYS 33 HB2 CYS 33 -2.023 -7.721 6.996 273 HB3 CYS 33 HB1 CYS 33 -2.011 -6.800 8.499 274 HG CYS 33 HG CYS 33 -2.217 -5.180 6.245 275 H LEU 34 HN LEU 34 2.119 -7.536 7.257 276 HA LEU 34 HA LEU 34 1.810 -9.269 4.925 277 HB2 LEU 34 HB2 LEU 34 4.046 -7.430 5.692 278 HB3 LEU 34 HB1 LEU 34 4.026 -8.450 4.269 279 HG LEU 34 HG LEU 34 1.790 -7.175 3.792 280 HD11 LEU 34 HD11 LEU 34 1.726 -5.949 5.849 281 HD12 LEU 34 HD12 LEU 34 1.861 -4.862 4.469 282 HD13 LEU 34 HD13 LEU 34 3.274 -5.194 5.475 283 HD21 LEU 34 HD21 LEU 34 4.527 -6.038 3.337 284 HD22 LEU 34 HD22 LEU 34 3.053 -5.618 2.434 285 HD23 LEU 34 HD23 LEU 34 3.681 -7.277 2.403 286 H THR 35 HN THR 35 3.611 -10.730 4.394 287 HA THR 35 HA THR 35 4.312 -12.416 6.564 288 HB THR 35 HB THR 35 5.623 -12.503 3.923 289 HG1 THR 35 HG1 THR 35 3.709 -12.043 3.099 290 HG21 THR 35 HG21 THR 35 4.997 -14.875 4.093 291 HG22 THR 35 HG22 THR 35 4.108 -14.485 5.574 292 HG23 THR 35 HG23 THR 35 5.872 -14.309 5.528 293 H ALA 36 HN ALA 36 6.602 -12.861 7.094 294 HA ALA 36 HA ALA 36 8.214 -10.589 7.462 295 HB1 ALA 36 HB1 ALA 36 8.990 -13.494 7.533 296 HB2 ALA 36 HB2 ALA 36 8.316 -12.577 8.883 297 HB3 ALA 36 HB3 ALA 36 9.913 -12.166 8.242 298 H ARG 37 HN ARG 37 8.061 -12.979 4.935 299 HA ARG 37 HA ARG 37 10.496 -12.465 3.623 300 HB2 ARG 37 HB2 ARG 37 7.902 -13.468 2.457 301 HB3 ARG 37 HB1 ARG 37 9.518 -13.696 1.818 302 HG2 ARG 37 HG2 ARG 37 10.086 -15.096 3.741 303 HG3 ARG 37 HG1 ARG 37 8.464 -14.855 4.391 304 HD2 ARG 37 HD2 ARG 37 7.563 -15.846 2.274 305 HD3 ARG 37 HD1 ARG 37 9.223 -16.233 1.829 306 HE ARG 37 HE ARG 37 8.388 -17.206 4.397 307 HH11 ARG 37 HH11 ARG 37 8.731 -17.975 0.951 308 HH12 ARG 37 HH12 ARG 37 8.593 -19.658 1.165 309 HH21 ARG 37 HH21 ARG 37 8.165 -19.543 4.670 310 HH22 ARG 37 HH22 ARG 37 8.251 -20.553 3.301 311 H ASP 38 HN ASP 38 7.220 -11.252 3.280 312 HA ASP 38 HA ASP 38 7.367 -9.730 0.957 313 HB2 ASP 38 HB2 ASP 38 5.823 -9.154 3.484 314 HB3 ASP 38 HB1 ASP 38 5.473 -8.431 1.909 315 H GLN 39 HN GLN 39 7.708 -8.770 4.306 316 HA GLN 39 HA GLN 39 8.407 -6.074 3.897 317 HB2 GLN 39 HB2 GLN 39 9.003 -7.886 6.241 318 HB3 GLN 39 HB1 GLN 39 9.095 -6.132 6.266 319 HG2 GLN 39 HG2 GLN 39 6.704 -5.961 5.915 320 HG3 GLN 39 HG1 GLN 39 6.582 -7.705 5.707 321 HE21 GLN 39 HE21 GLN 39 5.261 -5.912 7.658 322 HE22 GLN 39 HE22 GLN 39 5.688 -6.565 9.186 323 H ASP 40 HN ASP 40 10.267 -8.990 4.178 324 HA ASP 40 HA ASP 40 12.863 -7.928 4.472 325 HB2 ASP 40 HB2 ASP 40 12.350 -10.254 4.898 326 HB3 ASP 40 HB1 ASP 40 11.970 -10.501 3.206 327 H ARG 41 HN ARG 41 11.096 -8.939 1.614 328 HA ARG 41 HA ARG 41 13.132 -8.352 -0.253 329 HB2 ARG 41 HB2 ARG 41 10.141 -8.454 -0.646 330 HB3 ARG 41 HB1 ARG 41 11.291 -8.282 -1.961 331 HG2 ARG 41 HG2 ARG 41 11.097 -10.624 -0.069 332 HG3 ARG 41 HG1 ARG 41 10.551 -10.589 -1.747 333 HD2 ARG 41 HD2 ARG 41 13.404 -10.313 -0.772 334 HD3 ARG 41 HD1 ARG 41 12.706 -11.696 -1.609 335 HE ARG 41 HE ARG 41 12.253 -9.782 -3.374 336 HH11 ARG 41 HH11 ARG 41 15.258 -10.520 -1.618 337 HH12 ARG 41 HH12 ARG 41 16.270 -9.926 -2.852 338 HH21 ARG 41 HH21 ARG 41 13.640 -8.950 -5.005 339 HH22 ARG 41 HH22 ARG 41 15.331 -8.975 -4.830 340 H LEU 42 HN LEU 42 10.675 -6.351 1.164 341 HA LEU 42 HA LEU 42 11.185 -4.124 -0.526 342 HB2 LEU 42 HB2 LEU 42 9.793 -4.304 2.144 343 HB3 LEU 42 HB1 LEU 42 9.805 -2.876 1.123 344 HG LEU 42 HG LEU 42 8.636 -5.538 0.298 345 HD11 LEU 42 HD11 LEU 42 7.329 -4.636 2.090 346 HD12 LEU 42 HD12 LEU 42 6.460 -4.438 0.566 347 HD13 LEU 42 HD13 LEU 42 7.277 -3.059 1.304 348 HD21 LEU 42 HD21 LEU 42 8.479 -2.809 -0.983 349 HD22 LEU 42 HD22 LEU 42 7.613 -4.239 -1.514 350 HD23 LEU 42 HD23 LEU 42 9.370 -4.200 -1.600 351 H ARG 43 HN ARG 43 12.440 -5.220 2.556 352 HA ARG 43 HA ARG 43 14.055 -2.846 3.009 353 HB2 ARG 43 HB2 ARG 43 14.128 -5.590 4.289 354 HB3 ARG 43 HB1 ARG 43 15.134 -4.240 4.790 355 HG2 ARG 43 HG2 ARG 43 13.197 -2.986 5.453 356 HG3 ARG 43 HG1 ARG 43 12.133 -4.244 4.822 357 HD2 ARG 43 HD2 ARG 43 13.052 -5.824 6.428 358 HD3 ARG 43 HD1 ARG 43 14.111 -4.561 7.063 359 HE ARG 43 HE ARG 43 11.901 -3.362 7.520 360 HH11 ARG 43 HH11 ARG 43 12.394 -6.876 7.849 361 HH12 ARG 43 HH12 ARG 43 11.109 -7.083 8.940 362 HH21 ARG 43 HH21 ARG 43 10.159 -3.658 9.004 363 HH22 ARG 43 HH22 ARG 43 9.777 -5.203 9.621 364 H ALA 44 HN ALA 44 14.292 -5.369 0.948 365 HA ALA 44 HA ALA 44 17.200 -5.250 0.791 366 HB1 ALA 44 HB1 ALA 44 16.131 -7.428 0.478 367 HB2 ALA 44 HB2 ALA 44 16.942 -6.914 -1.005 368 HB3 ALA 44 HB3 ALA 44 15.189 -6.782 -0.866 369 H THR 45 HN THR 45 14.357 -4.618 -1.187 370 HA THR 45 HA THR 45 15.766 -3.435 -3.324 371 HB THR 45 HB THR 45 12.817 -3.198 -2.650 372 HG1 THR 45 HG1 THR 45 13.169 -5.351 -2.779 373 HG21 THR 45 HG21 THR 45 14.306 -3.068 -5.293 374 HG22 THR 45 HG22 THR 45 13.576 -1.691 -4.467 375 HG23 THR 45 HG23 THR 45 12.555 -2.984 -5.098 376 H CYS 46 HN CYS 46 14.624 -2.104 -0.259 377 HA CYS 46 HA CYS 46 14.342 0.551 -0.975 378 HB2 CYS 46 HB2 CYS 46 14.665 0.902 1.434 379 HB3 CYS 46 HB1 CYS 46 13.542 -0.428 1.124 380 HG CYS 46 HG CYS 46 15.775 -0.387 3.246 381 H THR 47 HN THR 47 17.084 -1.373 -0.041 382 HA THR 47 HA THR 47 18.929 0.799 0.010 383 HB THR 47 HB THR 47 19.574 -2.149 -0.223 384 HG1 THR 47 HG1 THR 47 18.666 -0.561 1.952 385 HG21 THR 47 HG21 THR 47 20.980 0.151 1.166 386 HG22 THR 47 HG22 THR 47 21.462 -0.535 -0.380 387 HG23 THR 47 HG23 THR 47 21.550 -1.517 1.085 388 H LEU 48 HN LEU 48 18.070 -1.706 -2.349 389 HA LEU 48 HA LEU 48 20.069 -0.995 -4.219 390 HB2 LEU 48 HB2 LEU 48 17.655 -2.732 -4.357 391 HB3 LEU 48 HB1 LEU 48 18.480 -2.323 -5.838 392 HG LEU 48 HG LEU 48 20.566 -3.315 -4.859 393 HD11 LEU 48 HD11 LEU 48 20.389 -4.859 -2.987 394 HD12 LEU 48 HD12 LEU 48 18.729 -4.330 -2.715 395 HD13 LEU 48 HD13 LEU 48 20.059 -3.192 -2.508 396 HD21 LEU 48 HD21 LEU 48 18.190 -5.140 -5.151 397 HD22 LEU 48 HD22 LEU 48 19.877 -5.642 -5.224 398 HD23 LEU 48 HD23 LEU 48 19.229 -4.553 -6.448 399 H SER 49 HN SER 49 16.579 -0.283 -4.231 400 HA SER 49 HA SER 49 17.084 1.602 -6.426 401 HB2 SER 49 HB2 SER 49 15.397 -0.089 -6.909 402 HB3 SER 49 HB1 SER 49 14.510 0.346 -5.453 403 HG SER 49 HG SER 49 14.335 1.383 -7.895 404 H GLY 50 HN GLY 50 15.404 1.288 -3.323 405 HA2 GLY 50 HA2 GLY 50 15.609 3.110 -1.742 406 HA3 GLY 50 HA1 GLY 50 15.537 4.217 -3.111 407 H ASN 51 HN ASN 51 13.601 4.536 -4.172 408 HA ASN 51 HA ASN 51 11.277 3.921 -2.482 409 HB2 ASN 51 HB2 ASN 51 11.667 6.292 -2.532 410 HB3 ASN 51 HB1 ASN 51 11.823 6.295 -4.260 411 HD21 ASN 51 HD21 ASN 51 9.478 6.072 -1.660 412 HD22 ASN 51 HD22 ASN 51 8.195 6.417 -2.786 413 H ARG 52 HN ARG 52 11.958 4.688 -5.811 414 HA ARG 52 HA ARG 52 9.428 4.143 -6.757 415 HB2 ARG 52 HB2 ARG 52 11.287 5.388 -7.928 416 HB3 ARG 52 HB1 ARG 52 11.818 3.821 -8.529 417 HG2 ARG 52 HG2 ARG 52 9.675 3.478 -9.617 418 HG3 ARG 52 HG1 ARG 52 9.072 4.999 -8.960 419 HD2 ARG 52 HD2 ARG 52 9.695 5.471 -11.176 420 HD3 ARG 52 HD1 ARG 52 10.993 6.110 -10.163 421 HE ARG 52 HE ARG 52 11.182 3.491 -11.462 422 HH11 ARG 52 HH11 ARG 52 12.694 6.625 -10.705 423 HH12 ARG 52 HH12 ARG 52 14.028 6.359 -11.720 424 HH21 ARG 52 HH21 ARG 52 12.945 3.192 -12.875 425 HH22 ARG 52 HH22 ARG 52 14.192 4.343 -12.987 426 H ASP 53 HN ASP 53 12.181 1.784 -7.324 427 HA ASP 53 HA ASP 53 10.379 -0.113 -8.330 428 HB2 ASP 53 HB2 ASP 53 13.175 -0.410 -7.266 429 HB3 ASP 53 HB1 ASP 53 12.253 -1.681 -8.043 430 H THR 54 HN THR 54 11.338 0.749 -5.134 431 HA THR 54 HA THR 54 10.684 -1.691 -3.910 432 HB THR 54 HB THR 54 10.493 1.033 -2.605 433 HG1 THR 54 HG1 THR 54 12.664 1.106 -2.531 434 HG21 THR 54 HG21 THR 54 9.911 -1.008 -1.297 435 HG22 THR 54 HG22 THR 54 11.332 -0.178 -0.665 436 HG23 THR 54 HG23 THR 54 11.524 -1.641 -1.627 437 H LEU 55 HN LEU 55 8.885 1.291 -4.672 438 HA LEU 55 HA LEU 55 6.416 0.632 -3.588 439 HB2 LEU 55 HB2 LEU 55 7.410 2.460 -5.646 440 HB3 LEU 55 HB1 LEU 55 5.738 1.997 -5.819 441 HG LEU 55 HG LEU 55 5.344 2.825 -3.507 442 HD11 LEU 55 HD11 LEU 55 8.110 3.926 -3.740 443 HD12 LEU 55 HD12 LEU 55 7.544 2.704 -2.591 444 HD13 LEU 55 HD13 LEU 55 6.904 4.353 -2.526 445 HD21 LEU 55 HD21 LEU 55 4.752 4.150 -5.406 446 HD22 LEU 55 HD22 LEU 55 6.417 4.722 -5.546 447 HD23 LEU 55 HD23 LEU 55 5.451 5.189 -4.155 448 H TRP 56 HN TRP 56 7.820 -0.147 -6.766 449 HA TRP 56 HA TRP 56 5.582 -1.271 -7.946 450 HB2 TRP 56 HB2 TRP 56 8.522 -1.732 -8.314 451 HB3 TRP 56 HB1 TRP 56 7.344 -2.667 -9.211 452 HD1 TRP 56 HD1 TRP 56 8.592 0.963 -8.829 453 HE1 TRP 56 HE1 TRP 56 8.010 2.246 -10.967 454 HE3 TRP 56 HE3 TRP 56 5.855 -2.632 -11.194 455 HZ2 TRP 56 HZ2 TRP 56 6.578 1.797 -13.366 456 HZ3 TRP 56 HZ3 TRP 56 4.918 -2.133 -13.416 457 HH2 TRP 56 HH2 TRP 56 5.274 0.036 -14.476 458 H HIS 57 HN HIS 57 7.890 -2.657 -5.735 459 HA HIS 57 HA HIS 57 6.694 -5.279 -5.942 460 HB2 HIS 57 HB2 HIS 57 8.912 -4.229 -4.172 461 HB3 HIS 57 HB1 HIS 57 8.338 -5.894 -4.130 462 HD1 HIS 57 HD1 HIS 57 10.539 -3.594 -6.091 463 HD2 HIS 57 HD2 HIS 57 8.888 -7.390 -6.485 464 HE1 HIS 57 HE1 HIS 57 11.839 -4.739 -7.909 465 H LEU 58 HN LEU 58 6.580 -2.543 -3.825 466 HA LEU 58 HA LEU 58 5.182 -3.660 -1.650 467 HB2 LEU 58 HB2 LEU 58 6.255 -1.431 -1.629 468 HB3 LEU 58 HB1 LEU 58 5.087 -0.864 -2.786 469 HG LEU 58 HG LEU 58 3.290 -1.209 -1.095 470 HD11 LEU 58 HD11 LEU 58 5.578 -1.744 0.781 471 HD12 LEU 58 HD12 LEU 58 4.337 -2.897 0.283 472 HD13 LEU 58 HD13 LEU 58 3.899 -1.490 1.248 473 HD21 LEU 58 HD21 LEU 58 5.551 0.660 -0.360 474 HD22 LEU 58 HD22 LEU 58 3.940 0.707 0.343 475 HD23 LEU 58 HD23 LEU 58 4.152 1.007 -1.383 476 H PHE 59 HN PHE 59 4.027 -1.815 -4.424 477 HA PHE 59 HA PHE 59 1.255 -2.379 -3.943 478 HB2 PHE 59 HB2 PHE 59 2.763 -0.971 -6.122 479 HB3 PHE 59 HB1 PHE 59 1.033 -1.208 -6.254 480 HD1 PHE 59 HD1 PHE 59 -0.464 -0.186 -4.519 481 HD2 PHE 59 HD2 PHE 59 3.685 0.734 -4.757 482 HE1 PHE 59 HE1 PHE 59 -0.837 1.831 -3.175 483 HE2 PHE 59 HE2 PHE 59 3.306 2.764 -3.411 484 HZ PHE 59 HZ PHE 59 1.048 3.308 -2.617 485 H ASN 60 HN ASN 60 2.820 -4.624 -4.287 486 HA ASN 60 HA ASN 60 1.339 -6.033 -6.369 487 HB2 ASN 60 HB2 ASN 60 3.540 -5.484 -7.388 488 HB3 ASN 60 HB1 ASN 60 4.350 -6.248 -6.031 489 HD21 ASN 60 HD21 ASN 60 2.491 -6.777 -8.929 490 HD22 ASN 60 HD22 ASN 60 2.835 -8.453 -9.070 491 H THR 61 HN THR 61 3.744 -6.320 -3.767 492 HA THR 61 HA THR 61 2.818 -8.915 -3.016 493 HB THR 61 HB THR 61 4.736 -7.056 -1.589 494 HG1 THR 61 HG1 THR 61 5.742 -7.375 -3.448 495 HG21 THR 61 HG21 THR 61 5.664 -9.151 -0.682 496 HG22 THR 61 HG22 THR 61 4.409 -10.064 -1.518 497 HG23 THR 61 HG23 THR 61 3.975 -8.947 -0.223 498 H LEU 62 HN LEU 62 2.336 -5.566 -1.774 499 HA LEU 62 HA LEU 62 1.344 -6.288 0.730 500 HB2 LEU 62 HB2 LEU 62 2.346 -4.173 0.361 501 HB3 LEU 62 HB1 LEU 62 1.272 -3.831 -0.978 502 HG LEU 62 HG LEU 62 -0.560 -3.806 0.536 503 HD11 LEU 62 HD11 LEU 62 1.589 -3.904 2.653 504 HD12 LEU 62 HD12 LEU 62 0.333 -5.120 2.379 505 HD13 LEU 62 HD13 LEU 62 -0.099 -3.523 2.993 506 HD21 LEU 62 HD21 LEU 62 -0.061 -1.569 1.516 507 HD22 LEU 62 HD22 LEU 62 0.405 -1.732 -0.177 508 HD23 LEU 62 HD23 LEU 62 1.630 -1.814 1.087 509 H GLN 63 HN GLN 63 -0.142 -5.508 -2.362 510 HA GLN 63 HA GLN 63 -2.746 -5.384 -1.277 511 HB2 GLN 63 HB2 GLN 63 -3.468 -5.295 -3.762 512 HB3 GLN 63 HB1 GLN 63 -2.583 -3.958 -3.068 513 HG2 GLN 63 HG2 GLN 63 -1.652 -4.253 -5.182 514 HG3 GLN 63 HG1 GLN 63 -0.496 -5.010 -4.104 515 HE21 GLN 63 HE21 GLN 63 -0.896 -5.358 -6.948 516 HE22 GLN 63 HE22 GLN 63 -1.238 -7.018 -7.187 517 H ARG 64 HN ARG 64 -1.000 -8.023 -1.718 518 HA ARG 64 HA ARG 64 -3.186 -9.742 -2.525 519 HB2 ARG 64 HB2 ARG 64 -0.375 -10.368 -1.600 520 HB3 ARG 64 HB1 ARG 64 -1.555 -11.603 -2.016 521 HG2 ARG 64 HG2 ARG 64 -1.677 -10.745 -4.283 522 HG3 ARG 64 HG1 ARG 64 -0.544 -9.462 -3.878 523 HD2 ARG 64 HD2 ARG 64 1.186 -11.109 -3.437 524 HD3 ARG 64 HD1 ARG 64 0.049 -12.418 -3.762 525 HE ARG 64 HE ARG 64 -0.102 -11.562 -6.048 526 HH11 ARG 64 HH11 ARG 64 2.816 -10.838 -4.177 527 HH12 ARG 64 HH12 ARG 64 3.741 -10.461 -5.561 528 HH21 ARG 64 HH21 ARG 64 1.214 -11.074 -7.910 529 HH22 ARG 64 HH22 ARG 64 2.850 -10.632 -7.677 530 H ARG 65 HN ARG 65 -2.081 -8.271 0.273 531 HA ARG 65 HA ARG 65 -3.215 -10.275 2.027 532 HB2 ARG 65 HB2 ARG 65 -1.761 -7.673 2.582 533 HB3 ARG 65 HB1 ARG 65 -2.369 -8.732 3.842 534 HG2 ARG 65 HG2 ARG 65 -0.282 -9.462 1.790 535 HG3 ARG 65 HG1 ARG 65 0.034 -9.041 3.476 536 HD2 ARG 65 HD2 ARG 65 -1.152 -10.962 4.248 537 HD3 ARG 65 HD1 ARG 65 -1.711 -11.368 2.620 538 HE ARG 65 HE ARG 65 1.108 -11.405 3.416 539 HH11 ARG 65 HH11 ARG 65 -1.661 -12.983 1.798 540 HH12 ARG 65 HH12 ARG 65 -0.820 -14.401 1.459 541 HH21 ARG 65 HH21 ARG 65 2.236 -13.415 2.936 542 HH22 ARG 65 HH22 ARG 65 1.436 -14.668 2.114 543 HA PRO 66 HA PRO 66 -7.053 -8.069 1.551 544 HB2 PRO 66 HB2 PRO 66 -8.130 -9.623 3.779 545 HB3 PRO 66 HB1 PRO 66 -8.580 -9.668 2.074 546 HG2 PRO 66 HG2 PRO 66 -7.254 -11.702 3.260 547 HG3 PRO 66 HG1 PRO 66 -7.004 -11.270 1.561 548 HD2 PRO 66 HD2 PRO 66 -5.321 -10.619 3.952 549 HD3 PRO 66 HD1 PRO 66 -4.838 -11.166 2.329 550 H GLY 67 HN GLY 67 -5.087 -7.654 4.043 551 HA2 GLY 67 HA2 GLY 67 -6.846 -5.605 5.219 552 HA3 GLY 67 HA1 GLY 67 -5.864 -6.638 6.257 553 H TRP 68 HN TRP 68 -5.296 -4.848 3.260 554 HA TRP 68 HA TRP 68 -2.785 -4.025 4.468 555 HB2 TRP 68 HB2 TRP 68 -2.025 -3.387 2.230 556 HB3 TRP 68 HB1 TRP 68 -2.561 -5.058 2.264 557 HD1 TRP 68 HD1 TRP 68 -4.772 -5.629 0.806 558 HE1 TRP 68 HE1 TRP 68 -5.853 -4.448 -1.188 559 HE3 TRP 68 HE3 TRP 68 -2.517 -1.051 1.263 560 HZ2 TRP 68 HZ2 TRP 68 -5.781 -1.898 -2.408 561 HZ3 TRP 68 HZ3 TRP 68 -3.091 0.704 -0.378 562 HH2 TRP 68 HH2 TRP 68 -4.683 0.283 -2.165 563 H VAL 69 HN VAL 69 -5.749 -2.679 3.367 564 HA VAL 69 HA VAL 69 -4.876 -0.076 2.763 565 HB VAL 69 HB VAL 69 -7.636 -0.867 3.685 566 HG11 VAL 69 HG11 VAL 69 -6.669 1.453 2.031 567 HG12 VAL 69 HG12 VAL 69 -7.236 1.528 3.700 568 HG13 VAL 69 HG13 VAL 69 -8.355 1.091 2.407 569 HG21 VAL 69 HG21 VAL 69 -6.483 -0.818 0.891 570 HG22 VAL 69 HG22 VAL 69 -8.173 -1.109 1.302 571 HG23 VAL 69 HG23 VAL 69 -6.933 -2.259 1.805 572 H GLU 70 HN GLU 70 -6.429 -1.311 5.656 573 HA GLU 70 HA GLU 70 -6.576 1.115 7.037 574 HB2 GLU 70 HB2 GLU 70 -6.753 -0.403 9.126 575 HB3 GLU 70 HB1 GLU 70 -7.982 -0.497 7.880 576 HG2 GLU 70 HG2 GLU 70 -5.695 -2.435 7.920 577 HG3 GLU 70 HG1 GLU 70 -7.108 -2.679 8.944 578 H TYR 71 HN TYR 71 -4.137 -1.374 7.131 579 HA TYR 71 HA TYR 71 -2.534 -0.099 9.064 580 HB2 TYR 71 HB2 TYR 71 -1.943 -2.238 7.033 581 HB3 TYR 71 HB1 TYR 71 -0.798 -1.680 8.244 582 HD1 TYR 71 HD1 TYR 71 -1.251 -2.066 10.629 583 HD2 TYR 71 HD2 TYR 71 -3.711 -3.723 7.605 584 HE1 TYR 71 HE1 TYR 71 -2.168 -3.630 12.267 585 HE2 TYR 71 HE2 TYR 71 -4.658 -5.311 9.241 586 HH TYR 71 HH TYR 71 -4.197 -4.929 12.574 587 H PHE 72 HN PHE 72 -2.598 -0.125 5.541 588 HA PHE 72 HA PHE 72 -0.211 1.269 5.120 589 HB2 PHE 72 HB2 PHE 72 -1.527 -0.040 3.412 590 HB3 PHE 72 HB1 PHE 72 -2.665 1.294 3.357 591 HD1 PHE 72 HD1 PHE 72 1.036 0.795 3.129 592 HD2 PHE 72 HD2 PHE 72 -2.428 2.704 1.567 593 HE1 PHE 72 HE1 PHE 72 2.403 1.810 1.362 594 HE2 PHE 72 HE2 PHE 72 -1.060 3.734 -0.200 595 HZ PHE 72 HZ PHE 72 1.357 3.283 -0.307 596 H ILE 73 HN ILE 73 -3.537 2.437 5.498 597 HA ILE 73 HA ILE 73 -3.027 5.170 5.100 598 HB ILE 73 HB ILE 73 -5.072 3.938 6.989 599 HG12 ILE 73 HG12 ILE 73 -5.432 4.900 4.141 600 HG13 ILE 73 HG11 ILE 73 -5.241 3.212 4.596 601 HG21 ILE 73 HG21 ILE 73 -4.958 6.705 5.778 602 HG22 ILE 73 HG22 ILE 73 -4.695 6.304 7.475 603 HG23 ILE 73 HG23 ILE 73 -6.286 6.069 6.748 604 HD11 ILE 73 HD11 ILE 73 -7.303 3.338 5.896 605 HD12 ILE 73 HD12 ILE 73 -7.568 3.774 4.206 606 HD13 ILE 73 HD13 ILE 73 -7.485 5.031 5.440 607 H ALA 74 HN ALA 74 -2.783 3.177 7.994 608 HA ALA 74 HA ALA 74 -2.184 5.264 9.809 609 HB1 ALA 74 HB1 ALA 74 -3.051 3.081 10.531 610 HB2 ALA 74 HB2 ALA 74 -1.537 3.474 11.341 611 HB3 ALA 74 HB3 ALA 74 -1.553 2.322 10.004 612 H ALA 75 HN ALA 75 -0.314 3.387 7.614 613 HA ALA 75 HA ALA 75 2.236 3.856 8.710 614 HB1 ALA 75 HB1 ALA 75 1.761 2.060 7.139 615 HB2 ALA 75 HB2 ALA 75 3.083 3.086 6.584 616 HB3 ALA 75 HB3 ALA 75 1.477 3.242 5.866 617 H LEU 76 HN LEU 76 0.616 5.356 5.837 618 HA LEU 76 HA LEU 76 2.508 7.302 5.420 619 HB2 LEU 76 HB2 LEU 76 -0.420 7.142 4.865 620 HB3 LEU 76 HB1 LEU 76 0.529 8.530 4.392 621 HG LEU 76 HG LEU 76 0.174 7.186 2.564 622 HD11 LEU 76 HD11 LEU 76 2.372 8.166 2.666 623 HD12 LEU 76 HD12 LEU 76 2.420 6.627 1.812 624 HD13 LEU 76 HD13 LEU 76 3.003 6.725 3.471 625 HD21 LEU 76 HD21 LEU 76 0.919 4.864 2.323 626 HD22 LEU 76 HD22 LEU 76 -0.366 5.091 3.510 627 HD23 LEU 76 HD23 LEU 76 1.297 4.847 4.048 628 H ARG 77 HN ARG 77 -0.432 7.398 7.366 629 HA ARG 77 HA ARG 77 -0.201 10.121 8.060 630 HB2 ARG 77 HB2 ARG 77 -2.280 8.787 8.168 631 HB3 ARG 77 HB1 ARG 77 -1.609 7.883 9.501 632 HG2 ARG 77 HG2 ARG 77 -1.690 9.769 10.947 633 HG3 ARG 77 HG1 ARG 77 -2.102 10.847 9.607 634 HD2 ARG 77 HD2 ARG 77 -4.062 10.203 10.996 635 HD3 ARG 77 HD1 ARG 77 -4.218 9.753 9.297 636 HE ARG 77 HE ARG 77 -3.203 7.761 11.158 637 HH11 ARG 77 HH11 ARG 77 -5.923 8.866 9.153 638 HH12 ARG 77 HH12 ARG 77 -6.771 7.408 9.247 639 HH21 ARG 77 HH21 ARG 77 -4.345 5.779 11.303 640 HH22 ARG 77 HH22 ARG 77 -5.829 5.549 10.501 641 H GLY 78 HN GLY 78 1.052 7.183 9.500 642 HA2 GLY 78 HA2 GLY 78 1.978 8.398 11.904 643 HA3 GLY 78 HA1 GLY 78 2.383 6.796 11.317 644 H CYS 79 HN CYS 79 3.241 8.384 8.730 645 HA CYS 79 HA CYS 79 5.814 9.218 9.836 646 HB2 CYS 79 HB2 CYS 79 6.791 8.692 7.538 647 HB3 CYS 79 HB1 CYS 79 6.164 7.317 8.410 648 HG CYS 79 HG CYS 79 3.981 6.917 6.956 649 H GLU 80 HN GLU 80 3.170 10.577 9.269 650 HA GLU 80 HA GLU 80 2.473 12.677 9.040 651 HB2 GLU 80 HB2 GLU 80 5.343 13.386 8.497 652 HB3 GLU 80 HB1 GLU 80 4.041 14.551 8.686 653 HG2 GLU 80 HG2 GLU 80 3.651 13.702 10.955 654 HG3 GLU 80 HG1 GLU 80 5.019 12.604 10.747 655 H LEU 81 HN LEU 81 3.089 10.824 6.680 656 HA LEU 81 HA LEU 81 2.805 12.782 4.561 657 HB2 LEU 81 HB2 LEU 81 2.914 9.760 4.398 658 HB3 LEU 81 HB1 LEU 81 2.990 10.870 3.043 659 HG LEU 81 HG LEU 81 5.087 10.567 5.197 660 HD11 LEU 81 HD11 LEU 81 5.133 9.797 2.292 661 HD12 LEU 81 HD12 LEU 81 5.059 8.697 3.667 662 HD13 LEU 81 HD13 LEU 81 6.488 9.690 3.411 663 HD21 LEU 81 HD21 LEU 81 6.439 12.083 3.826 664 HD22 LEU 81 HD22 LEU 81 4.981 12.865 4.428 665 HD23 LEU 81 HD23 LEU 81 5.064 12.324 2.749 666 H VAL 82 HN VAL 82 0.886 13.350 5.806 667 HA VAL 82 HA VAL 82 -1.310 11.610 6.155 668 HB VAL 82 HB VAL 82 -1.330 14.640 6.200 669 HG11 VAL 82 HG11 VAL 82 -3.272 14.406 7.676 670 HG12 VAL 82 HG12 VAL 82 -3.216 12.657 7.474 671 HG13 VAL 82 HG13 VAL 82 -3.575 13.690 6.094 672 HG21 VAL 82 HG21 VAL 82 -0.973 14.446 8.607 673 HG22 VAL 82 HG22 VAL 82 0.368 13.733 7.713 674 HG23 VAL 82 HG23 VAL 82 -0.846 12.694 8.458 675 H ASP 83 HN ASP 83 -0.391 13.755 3.577 676 HA ASP 83 HA ASP 83 -2.897 13.973 2.281 677 HB2 ASP 83 HB2 ASP 83 -0.139 14.004 1.005 678 HB3 ASP 83 HB1 ASP 83 -1.629 14.506 0.238 679 H LEU 84 HN LEU 84 -0.230 11.727 1.899 680 HA LEU 84 HA LEU 84 -1.457 10.145 -0.091 681 HB2 LEU 84 HB2 LEU 84 0.753 9.539 1.860 682 HB3 LEU 84 HB1 LEU 84 0.271 8.445 0.582 683 HG LEU 84 HG LEU 84 1.297 11.247 0.077 684 HD11 LEU 84 HD11 LEU 84 2.745 8.599 -0.079 685 HD12 LEU 84 HD12 LEU 84 3.039 9.863 1.119 686 HD13 LEU 84 HD13 LEU 84 3.390 10.161 -0.584 687 HD21 LEU 84 HD21 LEU 84 -0.128 10.255 -1.701 688 HD22 LEU 84 HD22 LEU 84 0.973 8.869 -1.734 689 HD23 LEU 84 HD23 LEU 84 1.557 10.456 -2.197 690 H ALA 85 HN ALA 85 -1.400 9.952 3.423 691 HA ALA 85 HA ALA 85 -2.732 7.486 3.733 692 HB1 ALA 85 HB1 ALA 85 -1.606 8.665 5.614 693 HB2 ALA 85 HB2 ALA 85 -3.264 8.247 6.013 694 HB3 ALA 85 HB3 ALA 85 -2.860 9.896 5.563 695 H ASP 86 HN ASP 86 -3.909 10.787 3.514 696 HA ASP 86 HA ASP 86 -6.633 10.243 3.931 697 HB2 ASP 86 HB2 ASP 86 -5.484 12.487 4.131 698 HB3 ASP 86 HB1 ASP 86 -5.513 12.570 2.372 699 H GLU 87 HN GLU 87 -4.644 10.456 0.976 700 HA GLU 87 HA GLU 87 -6.655 10.291 -0.873 701 HB2 GLU 87 HB2 GLU 87 -3.799 9.455 -0.816 702 HB3 GLU 87 HB1 GLU 87 -4.756 9.176 -2.247 703 HG2 GLU 87 HG2 GLU 87 -4.120 11.802 -0.937 704 HG3 GLU 87 HG1 GLU 87 -3.563 11.224 -2.508 705 H VAL 88 HN VAL 88 -4.779 7.661 0.620 706 HA VAL 88 HA VAL 88 -6.159 5.582 -0.681 707 HB VAL 88 HB VAL 88 -4.819 5.484 2.042 708 HG11 VAL 88 HG11 VAL 88 -4.555 3.083 1.602 709 HG12 VAL 88 HG12 VAL 88 -5.427 3.272 0.081 710 HG13 VAL 88 HG13 VAL 88 -6.255 3.560 1.614 711 HG21 VAL 88 HG21 VAL 88 -3.302 6.317 0.340 712 HG22 VAL 88 HG22 VAL 88 -3.672 4.928 -0.690 713 HG23 VAL 88 HG23 VAL 88 -2.840 4.693 0.847 714 H ALA 89 HN ALA 89 -6.660 7.206 2.404 715 HA ALA 89 HA ALA 89 -8.731 5.631 3.395 716 HB1 ALA 89 HB1 ALA 89 -8.274 8.567 3.888 717 HB2 ALA 89 HB2 ALA 89 -7.464 7.252 4.736 718 HB3 ALA 89 HB3 ALA 89 -9.207 7.463 4.899 719 H SER 90 HN SER 90 -8.902 8.638 1.506 720 HA SER 90 HA SER 90 -11.693 8.841 1.541 721 HB2 SER 90 HB2 SER 90 -10.163 10.717 1.031 722 HB3 SER 90 HB1 SER 90 -9.746 9.948 -0.496 723 HG SER 90 HG SER 90 -11.299 11.493 -0.824 724 H VAL 91 HN VAL 91 -9.530 7.163 -0.676 725 HA VAL 91 HA VAL 91 -11.554 6.556 -2.592 726 HB VAL 91 HB VAL 91 -8.904 5.171 -2.079 727 HG11 VAL 91 HG11 VAL 91 -9.135 4.263 -4.340 728 HG12 VAL 91 HG12 VAL 91 -10.723 5.014 -4.490 729 HG13 VAL 91 HG13 VAL 91 -10.466 3.724 -3.313 730 HG21 VAL 91 HG21 VAL 91 -8.114 6.480 -3.990 731 HG22 VAL 91 HG22 VAL 91 -8.655 7.515 -2.668 732 HG23 VAL 91 HG23 VAL 91 -9.682 7.277 -4.083 733 H TYR 92 HN TYR 92 -10.015 4.714 -0.001 734 HA TYR 92 HA TYR 92 -11.574 2.395 -0.323 735 HB2 TYR 92 HB2 TYR 92 -9.409 2.377 0.790 736 HB3 TYR 92 HB1 TYR 92 -10.031 3.423 2.061 737 HD1 TYR 92 HD1 TYR 92 -10.223 0.030 0.604 738 HD2 TYR 92 HD2 TYR 92 -11.255 2.547 3.869 739 HE1 TYR 92 HE1 TYR 92 -10.905 -1.947 1.909 740 HE2 TYR 92 HE2 TYR 92 -11.934 0.601 5.165 741 HH TYR 92 HH TYR 92 -12.793 -1.620 4.549 742 H GLN 93 HN GLN 93 -12.149 5.385 1.239 743 HA GLN 93 HA GLN 93 -14.129 4.663 3.066 744 HB2 GLN 93 HB2 GLN 93 -12.887 6.841 2.943 745 HB3 GLN 93 HB1 GLN 93 -13.868 7.272 1.560 746 HG2 GLN 93 HG2 GLN 93 -15.843 7.306 2.916 747 HG3 GLN 93 HG1 GLN 93 -14.938 6.721 4.312 748 HE21 GLN 93 HE21 GLN 93 -16.449 9.176 3.951 749 HE22 GLN 93 HE22 GLN 93 -15.371 10.471 4.303 750 H SER 94 HN SER 94 -14.180 4.657 -0.332 751 HA SER 94 HA SER 94 -17.091 4.770 -0.457 752 HB2 SER 94 HB2 SER 94 -15.040 4.563 -2.665 753 HB3 SER 94 HB1 SER 94 -16.773 4.837 -2.871 754 HG SER 94 HG SER 94 -15.308 6.532 -1.213 755 H TYR 95 HN TYR 95 -14.561 2.460 -0.144 756 HA TYR 95 HA TYR 95 -16.265 0.287 -1.178 757 HB2 TYR 95 HB2 TYR 95 -13.237 0.377 -1.247 758 HB3 TYR 95 HB1 TYR 95 -14.283 -0.871 -1.891 759 HD1 TYR 95 HD1 TYR 95 -15.907 -0.153 -3.806 760 HD2 TYR 95 HD2 TYR 95 -12.459 2.054 -2.648 761 HE1 TYR 95 HE1 TYR 95 -15.883 0.956 -5.995 762 HE2 TYR 95 HE2 TYR 95 -12.429 3.164 -4.839 763 HH TYR 95 HH TYR 95 -13.229 2.749 -7.101 764 H GLN 96 HN GLN 96 -17.125 -0.225 0.749 765 HA GLN 96 HA GLN 96 -17.339 -0.799 2.913 766 HB2 GLN 96 HB2 GLN 96 -15.010 -2.546 2.128 767 HB3 GLN 96 HB1 GLN 96 -15.889 -2.729 3.646 768 HG2 GLN 96 HG2 GLN 96 -17.150 -2.793 0.954 769 HG3 GLN 96 HG1 GLN 96 -16.656 -4.259 1.832 770 HE21 GLN 96 HE21 GLN 96 -19.296 -3.407 0.932 771 HE22 GLN 96 HE22 GLN 96 -20.272 -3.305 2.350 772 HA PRO 97 HA PRO 97 -14.251 2.387 4.109 773 HB2 PRO 97 HB2 PRO 97 -15.974 3.920 5.521 774 HB3 PRO 97 HB1 PRO 97 -15.904 3.968 3.756 775 HG2 PRO 97 HG2 PRO 97 -17.730 2.386 5.512 776 HG3 PRO 97 HG1 PRO 97 -18.196 3.451 4.195 777 HD2 PRO 97 HD2 PRO 97 -18.044 0.842 3.840 778 HD3 PRO 97 HD1 PRO 97 -17.410 1.866 2.550 779 H ARG 98 HN ARG 98 -16.337 0.439 6.053 780 HA ARG 98 HA ARG 98 -14.472 0.745 8.227 781 HB2 ARG 98 HB2 ARG 98 -16.454 0.797 9.844 782 HB3 ARG 98 HB1 ARG 98 -16.017 2.273 9.000 783 HG2 ARG 98 HG2 ARG 98 -17.858 1.913 7.416 784 HG3 ARG 98 HG1 ARG 98 -18.292 0.428 8.267 785 HD2 ARG 98 HD2 ARG 98 -19.673 2.400 8.912 786 HD3 ARG 98 HD1 ARG 98 -18.820 1.655 10.258 787 HE ARG 98 HE ARG 98 -17.150 3.438 10.041 788 HH11 ARG 98 HH11 ARG 98 -20.357 4.090 8.677 789 HH12 ARG 98 HH12 ARG 98 -20.256 5.769 8.934 790 HH21 ARG 98 HH21 ARG 98 -17.034 5.704 10.375 791 HH22 ARG 98 HH22 ARG 98 -18.357 6.686 9.933 792 H THR 99 HN THR 99 -13.709 -1.098 8.598 793 HA THR 99 HA THR 99 -15.186 -3.530 8.185 794 HB THR 99 HB THR 99 -12.447 -3.102 9.433 795 HG1 THR 99 HG1 THR 99 -12.079 -2.321 7.496 796 HG21 THR 99 HG21 THR 99 -13.395 -5.370 9.717 797 HG22 THR 99 HG22 THR 99 -12.002 -5.384 8.633 798 HG23 THR 99 HG23 THR 99 -13.633 -5.476 7.972 799 H SER 100 HN SER 100 -14.451 -1.290 10.709 800 HA SER 100 HA SER 100 -16.125 -2.647 12.568 801 HB2 SER 100 HB2 SER 100 -13.253 -1.861 13.242 802 HB3 SER 100 HB1 SER 100 -14.441 -2.485 14.385 803 HG SER 100 HG SER 100 -14.292 -4.089 12.276
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