NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551837 | 2lnm | 18171 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 H2 PRO 1 -15.101 -3.528 1.773 2 H3 PRO 1 H3 PRO 1 -14.821 -5.040 1.040 3 HA PRO 1 HA PRO 1 -13.024 -5.250 2.306 4 HB2 PRO 1 HB2 PRO 1 -11.230 -3.274 1.567 5 HB3 PRO 1 HB3 PRO 1 -11.562 -4.714 0.583 6 HG2 PRO 1 HG3 PRO 1 -12.565 -1.932 0.249 7 HG3 PRO 1 HG2 PRO 1 -12.186 -3.151 -0.983 8 HD2 PRO 1 HD3 PRO 1 -14.759 -2.546 -0.167 9 HD3 PRO 1 HD2 PRO 1 -14.288 -4.095 -0.876 10 H GLU 2 H GLU 2 -15.172 -3.377 3.292 11 HA GLU 2 HA GLU 2 -14.039 -1.158 4.663 12 HB2 GLU 2 HB3 GLU 2 -16.334 -2.915 5.585 13 HB3 GLU 2 HB2 GLU 2 -16.009 -1.262 6.107 14 HG2 GLU 2 HG3 GLU 2 -16.339 -0.451 3.812 15 HG3 GLU 2 HG2 GLU 2 -16.619 -2.102 3.257 16 H GLU 3 H GLU 3 -13.928 -4.579 5.315 17 HA GLU 3 HA GLU 3 -13.315 -4.518 8.094 18 HB2 GLU 3 HB3 GLU 3 -13.865 -6.579 6.809 19 HB3 GLU 3 HB2 GLU 3 -12.294 -6.475 6.015 20 HG2 GLU 3 HG3 GLU 3 -11.136 -6.740 8.125 21 HG3 GLU 3 HG2 GLU 3 -12.652 -6.635 9.021 22 H VAL 4 H VAL 4 -10.986 -4.837 5.361 23 HA VAL 4 HA VAL 4 -8.721 -4.373 7.078 24 HB VAL 4 HB VAL 4 -8.502 -5.582 4.958 25 HG11 VAL 4 HG11 VAL 4 -8.733 -4.518 2.822 26 HG12 VAL 4 HG12 VAL 4 -8.934 -2.931 3.560 27 HG13 VAL 4 HG13 VAL 4 -10.195 -4.152 3.733 28 HG21 VAL 4 HG21 VAL 4 -6.565 -4.291 5.946 29 HG22 VAL 4 HG22 VAL 4 -6.943 -2.983 4.823 30 HG23 VAL 4 HG23 VAL 4 -6.447 -4.558 4.207 31 H ILE 5 H ILE 5 -10.475 -2.216 4.812 32 HA ILE 5 HA ILE 5 -8.886 0.069 5.071 33 HB ILE 5 HB ILE 5 -11.906 -0.087 4.920 34 HG12 ILE 5 HG13 ILE 5 -9.860 0.380 2.726 35 HG13 ILE 5 HG12 ILE 5 -10.540 -1.205 3.090 36 HG21 ILE 5 HG21 ILE 5 -11.331 2.132 5.638 37 HG22 ILE 5 HG22 ILE 5 -11.601 2.238 3.901 38 HG23 ILE 5 HG23 ILE 5 -9.956 2.204 4.535 39 HD11 ILE 5 HD11 ILE 5 -12.757 -0.483 2.526 40 HD12 ILE 5 HD12 ILE 5 -11.704 0.066 1.223 41 HD13 ILE 5 HD13 ILE 5 -12.258 1.207 2.445 42 H SER 6 H SER 6 -11.051 -1.360 7.414 43 HA SER 6 HA SER 6 -11.276 0.946 9.130 44 HB2 SER 6 HB3 SER 6 -11.480 -2.001 9.814 45 HB3 SER 6 HB2 SER 6 -12.014 -0.673 10.839 46 HG SER 6 HG SER 6 -13.559 -1.806 9.288 47 H LYS 7 H LYS 7 -8.971 -1.736 8.918 48 HA LYS 7 HA LYS 7 -7.573 -0.988 11.349 49 HB2 LYS 7 HB3 LYS 7 -6.191 -2.818 10.964 50 HB3 LYS 7 HB2 LYS 7 -7.636 -3.293 10.088 51 HG2 LYS 7 HG3 LYS 7 -6.112 -3.729 8.410 52 HG3 LYS 7 HG2 LYS 7 -6.332 -2.024 8.071 53 HD2 LYS 7 HD3 LYS 7 -3.997 -2.163 8.166 54 HD3 LYS 7 HD2 LYS 7 -4.367 -1.710 9.826 55 HE2 LYS 7 HE3 LYS 7 -4.297 -4.110 10.476 56 HE3 LYS 7 HE2 LYS 7 -3.886 -4.532 8.815 57 HZ1 LYS 7 HZ1 LYS 7 -1.835 -3.499 8.974 58 HZ2 LYS 7 HZ2 LYS 7 -1.999 -4.241 10.490 59 HZ3 LYS 7 HZ3 LYS 7 -2.280 -2.573 10.327 60 H ILE 8 H ILE 8 -7.260 -0.069 7.970 61 HA ILE 8 HA ILE 8 -4.623 1.009 8.076 62 HB ILE 8 HB ILE 8 -6.887 2.265 6.497 63 HG12 ILE 8 HG13 ILE 8 -6.906 -0.251 6.239 64 HG13 ILE 8 HG12 ILE 8 -6.619 0.634 4.753 65 HG21 ILE 8 HG21 ILE 8 -5.026 2.595 4.834 66 HG22 ILE 8 HG22 ILE 8 -3.904 1.989 6.052 67 HG23 ILE 8 HG23 ILE 8 -4.813 3.470 6.350 68 HD11 ILE 8 HD11 ILE 8 -5.135 -1.356 5.048 69 HD12 ILE 8 HD12 ILE 8 -4.424 -0.574 6.453 70 HD13 ILE 8 HD13 ILE 8 -4.248 0.153 4.859 71 H MET 9 H MET 9 -7.680 2.239 9.248 72 HA MET 9 HA MET 9 -7.000 4.976 9.572 73 HB2 MET 9 HB3 MET 9 -8.786 3.184 11.240 74 HB3 MET 9 HB2 MET 9 -8.719 4.938 11.405 75 HG2 MET 9 HG3 MET 9 -9.334 3.550 8.782 76 HG3 MET 9 HG2 MET 9 -10.583 4.071 9.911 77 HE1 MET 9 HE1 MET 9 -10.808 7.757 9.725 78 HE2 MET 9 HE2 MET 9 -10.383 6.615 11.007 79 HE3 MET 9 HE3 MET 9 -11.658 6.219 9.858 80 H GLU 10 H GLU 10 -5.536 2.293 10.963 81 HA GLU 10 HA GLU 10 -4.982 3.316 13.604 82 HB2 GLU 10 HB3 GLU 10 -3.375 1.521 13.756 83 HB3 GLU 10 HB2 GLU 10 -4.776 0.908 12.878 84 HG2 GLU 10 HG3 GLU 10 -3.517 1.539 10.724 85 HG3 GLU 10 HG2 GLU 10 -2.095 1.755 11.742 86 H ASN 11 H ASN 11 -3.314 3.496 10.493 87 HA ASN 11 HA ASN 11 -1.352 5.442 11.669 88 HB2 ASN 11 HB3 ASN 11 -1.130 3.505 9.350 89 HB3 ASN 11 HB2 ASN 11 0.043 4.789 9.646 90 HD21 ASN 11 HD22 ASN 11 0.252 4.721 12.453 91 HD22 ASN 11 HD21 ASN 11 0.868 3.216 12.939 92 HA PRO 12 HA PRO 12 -4.276 7.974 9.053 93 HB2 PRO 12 HB2 PRO 12 -2.421 9.976 10.338 94 HB3 PRO 12 HB3 PRO 12 -4.171 10.100 10.045 95 HG2 PRO 12 HG3 PRO 12 -3.285 9.518 12.464 96 HG3 PRO 12 HG2 PRO 12 -4.695 8.664 11.804 97 HD2 PRO 12 HD3 PRO 12 -1.885 7.668 12.146 98 HD3 PRO 12 HD2 PRO 12 -3.417 6.771 12.266 99 H ASP 13 H ASP 13 -0.889 7.484 9.107 100 HA ASP 13 HA ASP 13 -0.145 9.215 6.908 101 HB2 ASP 13 HB3 ASP 13 1.460 8.286 8.604 102 HB3 ASP 13 HB2 ASP 13 1.233 6.693 7.882 103 H VAL 14 H VAL 14 -0.964 5.754 7.192 104 HA VAL 14 HA VAL 14 -0.689 5.290 4.317 105 HB VAL 14 HB VAL 14 -2.048 3.612 6.451 106 HG11 VAL 14 HG11 VAL 14 -1.582 1.765 4.820 107 HG12 VAL 14 HG12 VAL 14 -1.061 2.982 3.654 108 HG13 VAL 14 HG13 VAL 14 -2.730 2.957 4.218 109 HG21 VAL 14 HG21 VAL 14 0.776 3.483 5.342 110 HG22 VAL 14 HG22 VAL 14 0.081 2.376 6.527 111 HG23 VAL 14 HG23 VAL 14 0.340 4.069 6.947 112 H ALA 15 H ALA 15 -3.316 5.887 6.594 113 HA ALA 15 HA ALA 15 -5.485 5.469 4.792 114 HB1 ALA 15 HB1 ALA 15 -5.594 5.811 7.306 115 HB2 ALA 15 HB2 ALA 15 -6.796 6.706 6.377 116 HB3 ALA 15 HB3 ALA 15 -5.369 7.532 7.002 117 H MET 16 H MET 16 -3.395 8.243 5.418 118 HA MET 16 HA MET 16 -4.853 10.050 3.653 119 HB2 MET 16 HB3 MET 16 -3.369 10.774 5.566 120 HB3 MET 16 HB2 MET 16 -1.982 10.245 4.613 121 HG2 MET 16 HG3 MET 16 -2.602 11.810 2.818 122 HG3 MET 16 HG2 MET 16 -4.011 12.328 3.743 123 HE1 MET 16 HE1 MET 16 -3.620 14.876 4.403 124 HE2 MET 16 HE2 MET 16 -2.805 14.484 2.883 125 HE3 MET 16 HE3 MET 16 -1.994 15.477 4.092 126 H ALA 17 H ALA 17 -2.069 7.908 3.456 127 HA ALA 17 HA ALA 17 -1.268 8.700 0.790 128 HB1 ALA 17 HB1 ALA 17 0.190 6.804 0.858 129 HB2 ALA 17 HB2 ALA 17 -0.808 5.988 2.061 130 HB3 ALA 17 HB3 ALA 17 0.130 7.412 2.512 131 H PHE 18 H PHE 18 -3.528 6.401 2.164 132 HA PHE 18 HA PHE 18 -4.100 4.821 -0.124 133 HB2 PHE 18 HB3 PHE 18 -5.455 5.563 2.404 134 HB3 PHE 18 HB2 PHE 18 -6.570 5.142 1.113 135 HD1 PHE 18 HD1 PHE 18 -3.140 3.782 1.774 136 HD2 PHE 18 HD2 PHE 18 -7.368 2.996 1.755 137 HE1 PHE 18 HE1 PHE 18 -2.701 1.384 2.212 138 HE2 PHE 18 HE2 PHE 18 -6.922 0.601 2.193 139 HZ PHE 18 HZ PHE 18 -4.590 -0.208 2.417 140 H GLN 19 H GLN 19 -4.725 8.154 0.537 141 HA GLN 19 HA GLN 19 -6.805 8.404 -1.550 142 HB2 GLN 19 HB3 GLN 19 -5.385 10.518 0.101 143 HB3 GLN 19 HB2 GLN 19 -6.783 10.790 -0.940 144 HG2 GLN 19 HG3 GLN 19 -8.103 9.207 0.426 145 HG3 GLN 19 HG2 GLN 19 -6.709 8.960 1.478 146 HE21 GLN 19 HE22 GLN 19 -9.292 11.201 0.647 147 HE22 GLN 19 HE21 GLN 19 -8.972 12.320 1.882 148 H ASN 20 H ASN 20 -3.951 7.544 -2.145 149 HA ASN 20 HA ASN 20 -3.196 9.745 -4.036 150 HB2 ASN 20 HB3 ASN 20 -1.534 7.546 -2.768 151 HB3 ASN 20 HB2 ASN 20 -0.940 8.617 -4.035 152 HD21 ASN 20 HD22 ASN 20 -3.083 9.477 -1.285 153 HD22 ASN 20 HD21 ASN 20 -2.007 10.595 -0.597 154 HA PRO 21 HA PRO 21 -4.418 6.883 -7.198 155 HB2 PRO 21 HB2 PRO 21 -2.971 7.785 -9.348 156 HB3 PRO 21 HB3 PRO 21 -4.356 8.676 -8.682 157 HG2 PRO 21 HG3 PRO 21 -1.431 9.103 -8.193 158 HG3 PRO 21 HG2 PRO 21 -2.699 10.300 -8.527 159 HD2 PRO 21 HD3 PRO 21 -1.818 9.814 -5.993 160 HD3 PRO 21 HD2 PRO 21 -3.508 10.256 -6.332 161 H ARG 22 H ARG 22 -0.886 7.455 -7.088 162 HA ARG 22 HA ARG 22 -0.129 5.025 -8.371 163 HB2 ARG 22 HB3 ARG 22 1.465 6.361 -6.168 164 HB3 ARG 22 HB2 ARG 22 2.075 5.445 -7.544 165 HG2 ARG 22 HG3 ARG 22 0.705 8.151 -7.633 166 HG3 ARG 22 HG2 ARG 22 2.402 7.819 -7.967 167 HD2 ARG 22 HD3 ARG 22 -0.013 7.045 -9.613 168 HD3 ARG 22 HD2 ARG 22 1.403 7.967 -10.115 169 HE ARG 22 HE ARG 22 2.390 5.459 -9.364 170 HH11 ARG 22 HH22 ARG 22 0.084 6.760 -11.579 171 HH12 ARG 22 HH21 ARG 22 0.307 5.505 -12.751 172 HH21 ARG 22 HH11 ARG 22 2.690 3.816 -10.884 173 HH22 ARG 22 HH12 ARG 22 1.781 3.839 -12.358 174 H VAL 23 H VAL 23 -1.014 5.743 -5.044 175 HA VAL 23 HA VAL 23 -0.167 3.170 -3.987 176 HB VAL 23 HB VAL 23 -2.113 5.222 -2.884 177 HG11 VAL 23 HG11 VAL 23 -1.556 4.068 -0.698 178 HG12 VAL 23 HG12 VAL 23 -0.788 2.792 -1.642 179 HG13 VAL 23 HG13 VAL 23 -2.518 3.095 -1.809 180 HG21 VAL 23 HG21 VAL 23 0.228 6.021 -3.252 181 HG22 VAL 23 HG22 VAL 23 0.805 4.694 -2.246 182 HG23 VAL 23 HG23 VAL 23 -0.204 5.958 -1.542 183 H GLN 24 H GLN 24 -3.380 4.575 -4.753 184 HA GLN 24 HA GLN 24 -4.878 2.204 -4.287 185 HB2 GLN 24 HB3 GLN 24 -5.343 4.473 -6.251 186 HB3 GLN 24 HB2 GLN 24 -6.529 3.212 -5.911 187 HG2 GLN 24 HG3 GLN 24 -6.603 3.852 -3.561 188 HG3 GLN 24 HG2 GLN 24 -5.322 5.039 -3.813 189 HE21 GLN 24 HE22 GLN 24 -6.557 6.947 -3.385 190 HE22 GLN 24 HE21 GLN 24 -7.879 7.424 -4.336 191 H ALA 25 H ALA 25 -3.001 3.300 -7.052 192 HA ALA 25 HA ALA 25 -3.842 1.164 -8.833 193 HB1 ALA 25 HB1 ALA 25 -2.896 3.274 -9.698 194 HB2 ALA 25 HB2 ALA 25 -1.904 1.905 -10.199 195 HB3 ALA 25 HB3 ALA 25 -1.376 2.938 -8.871 196 H ALA 26 H ALA 26 -1.250 1.637 -6.491 197 HA ALA 26 HA ALA 26 0.239 -0.727 -7.210 198 HB1 ALA 26 HB1 ALA 26 0.107 0.619 -4.494 199 HB2 ALA 26 HB2 ALA 26 1.114 1.194 -5.821 200 HB3 ALA 26 HB3 ALA 26 1.408 -0.396 -5.116 201 H LEU 27 H LEU 27 -2.328 -0.050 -4.843 202 HA LEU 27 HA LEU 27 -2.379 -2.745 -3.772 203 HB2 LEU 27 HB3 LEU 27 -4.545 -0.621 -3.752 204 HB3 LEU 27 HB2 LEU 27 -4.492 -2.048 -2.721 205 HG LEU 27 HG LEU 27 -2.264 0.013 -2.744 206 HD11 LEU 27 HD11 LEU 27 -4.317 1.174 -2.124 207 HD12 LEU 27 HD12 LEU 27 -3.326 0.932 -0.685 208 HD13 LEU 27 HD13 LEU 27 -4.725 -0.102 -0.976 209 HD21 LEU 27 HD21 LEU 27 -3.099 -2.217 -0.857 210 HD22 LEU 27 HD22 LEU 27 -1.950 -0.962 -0.399 211 HD23 LEU 27 HD23 LEU 27 -1.574 -2.055 -1.724 212 H MET 28 H MET 28 -4.422 -0.991 -6.129 213 HA MET 28 HA MET 28 -6.146 -3.188 -6.718 214 HB2 MET 28 HB3 MET 28 -5.304 -0.704 -8.209 215 HB3 MET 28 HB2 MET 28 -6.248 -1.930 -9.053 216 HG2 MET 28 HG3 MET 28 -7.620 -0.098 -7.964 217 HG3 MET 28 HG2 MET 28 -8.059 -1.735 -7.482 218 HE1 MET 28 HE1 MET 28 -8.718 1.065 -5.992 219 HE2 MET 28 HE2 MET 28 -8.620 0.502 -4.317 220 HE3 MET 28 HE3 MET 28 -9.364 -0.514 -5.551 221 H GLU 29 H GLU 29 -2.995 -2.224 -8.046 222 HA GLU 29 HA GLU 29 -2.954 -4.411 -9.966 223 HB2 GLU 29 HB3 GLU 29 -1.584 -2.242 -10.109 224 HB3 GLU 29 HB2 GLU 29 -0.530 -2.946 -8.884 225 HG2 GLU 29 HG3 GLU 29 0.538 -3.663 -10.849 226 HG3 GLU 29 HG2 GLU 29 -0.513 -5.038 -10.521 227 H CYS 30 H CYS 30 -1.959 -3.945 -6.604 228 HA CYS 30 HA CYS 30 -0.205 -6.134 -6.261 229 HB2 CYS 30 HB3 CYS 30 -0.893 -4.494 -4.464 230 HB3 CYS 30 HB2 CYS 30 -2.407 -5.383 -4.310 231 HG CYS 30 HG CYS 30 -0.976 -6.629 -2.646 232 H SER 31 H SER 31 -3.631 -6.092 -6.885 233 HA SER 31 HA SER 31 -4.411 -8.629 -6.022 234 HB2 SER 31 HB3 SER 31 -6.161 -8.507 -7.723 235 HB3 SER 31 HB2 SER 31 -5.945 -6.919 -6.991 236 HG SER 31 HG SER 31 -5.307 -7.838 -9.544 237 H GLU 32 H GLU 32 -2.703 -7.655 -8.976 238 HA GLU 32 HA GLU 32 -2.742 -10.165 -10.319 239 HB2 GLU 32 HB3 GLU 32 -0.637 -7.978 -10.265 240 HB3 GLU 32 HB2 GLU 32 -0.546 -9.371 -11.340 241 HG2 GLU 32 HG3 GLU 32 -2.936 -7.504 -11.241 242 HG3 GLU 32 HG2 GLU 32 -1.594 -7.298 -12.365 243 H ASN 33 H ASN 33 -0.180 -8.825 -8.207 244 HA ASN 33 HA ASN 33 0.184 -11.071 -6.589 245 HB2 ASN 33 HB3 ASN 33 2.393 -11.936 -7.778 246 HB3 ASN 33 HB2 ASN 33 0.829 -12.555 -8.295 247 HD21 ASN 33 HD22 ASN 33 1.791 -12.929 -10.472 248 HD22 ASN 33 HD21 ASN 33 2.002 -11.626 -11.539 249 HA PRO 34 HA PRO 34 2.951 -8.232 -4.536 250 HB2 PRO 34 HB2 PRO 34 4.833 -10.576 -4.322 251 HB3 PRO 34 HB3 PRO 34 4.323 -9.428 -3.065 252 HG2 PRO 34 HG3 PRO 34 3.283 -11.872 -3.181 253 HG3 PRO 34 HG2 PRO 34 2.282 -10.471 -2.755 254 HD2 PRO 34 HD3 PRO 34 2.319 -12.044 -5.301 255 HD3 PRO 34 HD2 PRO 34 0.988 -11.143 -4.540 256 H MET 35 H MET 35 3.764 -9.834 -7.430 257 HA MET 35 HA MET 35 6.482 -8.814 -7.721 258 HB2 MET 35 HB3 MET 35 4.545 -9.878 -9.799 259 HB3 MET 35 HB2 MET 35 6.268 -9.600 -10.051 260 HG2 MET 35 HG3 MET 35 5.173 -11.448 -7.912 261 HG3 MET 35 HG2 MET 35 5.666 -11.996 -9.514 262 HE1 MET 35 HE1 MET 35 6.854 -12.821 -6.481 263 HE2 MET 35 HE2 MET 35 8.467 -13.219 -7.089 264 HE3 MET 35 HE3 MET 35 7.038 -13.641 -8.030 265 H ASN 36 H ASN 36 3.459 -7.353 -7.869 266 HA ASN 36 HA ASN 36 3.843 -5.565 -10.085 267 HB2 ASN 36 HB3 ASN 36 2.187 -5.179 -7.579 268 HB3 ASN 36 HB2 ASN 36 2.015 -4.278 -9.086 269 HD21 ASN 36 HD22 ASN 36 0.736 -6.877 -7.425 270 HD22 ASN 36 HD21 ASN 36 0.092 -7.746 -8.726 271 H ILE 37 H ILE 37 4.766 -5.415 -6.676 272 HA ILE 37 HA ILE 37 5.406 -2.669 -6.520 273 HB ILE 37 HB ILE 37 5.418 -4.316 -4.604 274 HG12 ILE 37 HG13 ILE 37 7.390 -3.274 -3.451 275 HG13 ILE 37 HG12 ILE 37 7.895 -2.597 -4.995 276 HG21 ILE 37 HG21 ILE 37 8.221 -4.987 -5.537 277 HG22 ILE 37 HG22 ILE 37 6.829 -6.003 -5.906 278 HG23 ILE 37 HG23 ILE 37 7.303 -5.735 -4.230 279 HD11 ILE 37 HD11 ILE 37 6.389 -1.206 -3.279 280 HD12 ILE 37 HD12 ILE 37 5.083 -2.049 -4.108 281 HD13 ILE 37 HD13 ILE 37 6.197 -1.030 -5.020 282 H MET 38 H MET 38 7.152 -5.336 -7.980 283 HA MET 38 HA MET 38 9.686 -4.094 -8.314 284 HB2 MET 38 HB3 MET 38 8.218 -6.109 -10.040 285 HB3 MET 38 HB2 MET 38 9.906 -5.661 -10.280 286 HG2 MET 38 HG3 MET 38 10.402 -6.371 -7.949 287 HG3 MET 38 HG2 MET 38 8.725 -6.885 -7.770 288 HE1 MET 38 HE1 MET 38 9.671 -9.271 -7.045 289 HE2 MET 38 HE2 MET 38 11.294 -8.607 -7.277 290 HE3 MET 38 HE3 MET 38 10.866 -10.162 -7.985 291 H LYS 39 H LYS 39 6.678 -3.198 -9.544 292 HA LYS 39 HA LYS 39 7.818 -1.869 -11.964 293 HB2 LYS 39 HB3 LYS 39 4.940 -2.099 -11.024 294 HB3 LYS 39 HB2 LYS 39 5.482 -1.423 -12.560 295 HG2 LYS 39 HG3 LYS 39 6.325 -3.556 -13.298 296 HG3 LYS 39 HG2 LYS 39 6.094 -4.264 -11.702 297 HD2 LYS 39 HD3 LYS 39 4.297 -4.945 -13.260 298 HD3 LYS 39 HD2 LYS 39 3.663 -4.013 -11.906 299 HE2 LYS 39 HE3 LYS 39 2.828 -3.403 -14.291 300 HE3 LYS 39 HE2 LYS 39 3.324 -2.083 -13.235 301 HZ1 LYS 39 HZ1 LYS 39 4.223 -2.164 -15.623 302 HZ2 LYS 39 HZ2 LYS 39 5.267 -3.368 -15.044 303 HZ3 LYS 39 HZ3 LYS 39 5.307 -1.811 -14.363 304 H TYR 40 H TYR 40 5.960 -1.113 -8.996 305 HA TYR 40 HA TYR 40 6.144 1.758 -9.449 306 HB2 TYR 40 HB3 TYR 40 5.407 0.195 -6.953 307 HB3 TYR 40 HB2 TYR 40 5.151 1.916 -7.211 308 HD1 TYR 40 HD2 TYR 40 3.587 2.720 -8.966 309 HD2 TYR 40 HD1 TYR 40 3.927 -1.437 -7.943 310 HE1 TYR 40 HE2 TYR 40 1.438 2.265 -10.113 311 HE2 TYR 40 HE1 TYR 40 1.776 -1.893 -9.089 312 HH TYR 40 HH TYR 40 0.058 0.661 -10.861 313 H GLN 41 H GLN 41 8.478 -0.400 -8.765 314 HA GLN 41 HA GLN 41 9.838 0.483 -6.471 315 HB2 GLN 41 HB3 GLN 41 11.935 -0.209 -7.711 316 HB3 GLN 41 HB2 GLN 41 10.662 -1.429 -7.683 317 HG2 GLN 41 HG3 GLN 41 9.936 -0.760 -9.929 318 HG3 GLN 41 HG2 GLN 41 11.161 0.508 -9.962 319 HE21 GLN 41 HE22 GLN 41 10.962 -1.854 -11.779 320 HE22 GLN 41 HE21 GLN 41 12.416 -2.708 -11.588 321 H ASN 42 H ASN 42 9.490 2.031 -9.591 322 HA ASN 42 HA ASN 42 11.558 4.048 -9.050 323 HB2 ASN 42 HB3 ASN 42 9.422 3.854 -11.199 324 HB3 ASN 42 HB2 ASN 42 10.676 5.094 -11.141 325 HD21 ASN 42 HD22 ASN 42 9.990 1.851 -12.134 326 HD22 ASN 42 HD21 ASN 42 11.568 1.429 -12.595 327 H ASP 43 H ASP 43 8.130 3.616 -8.566 328 HA ASP 43 HA ASP 43 7.575 6.449 -8.121 329 HB2 ASP 43 HB3 ASP 43 5.924 4.554 -8.831 330 HB3 ASP 43 HB2 ASP 43 5.862 4.166 -7.115 331 H LYS 44 H LYS 44 9.209 6.966 -6.535 332 HA LYS 44 HA LYS 44 9.799 5.668 -4.173 333 HB2 LYS 44 HB3 LYS 44 10.889 7.758 -5.067 334 HB3 LYS 44 HB2 LYS 44 9.530 8.671 -4.413 335 HG2 LYS 44 HG3 LYS 44 10.034 7.792 -2.150 336 HG3 LYS 44 HG2 LYS 44 11.390 6.886 -2.811 337 HD2 LYS 44 HD3 LYS 44 12.558 8.767 -2.130 338 HD3 LYS 44 HD2 LYS 44 12.083 9.334 -3.727 339 HE2 LYS 44 HE3 LYS 44 10.567 9.879 -1.151 340 HE3 LYS 44 HE2 LYS 44 11.621 11.024 -1.977 341 HZ1 LYS 44 HZ1 LYS 44 10.169 10.762 -3.954 342 HZ2 LYS 44 HZ2 LYS 44 9.396 11.474 -2.623 343 HZ3 LYS 44 HZ3 LYS 44 9.101 9.845 -3.003 344 H GLU 45 H GLU 45 6.910 7.528 -4.904 345 HA GLU 45 HA GLU 45 6.035 7.898 -2.197 346 HB2 GLU 45 HB3 GLU 45 5.105 8.992 -4.343 347 HB3 GLU 45 HB2 GLU 45 4.187 7.507 -4.571 348 HG2 GLU 45 HG3 GLU 45 4.072 9.173 -2.036 349 HG3 GLU 45 HG2 GLU 45 2.930 9.340 -3.366 350 H VAL 46 H VAL 46 5.156 5.407 -4.616 351 HA VAL 46 HA VAL 46 3.569 3.827 -2.855 352 HB VAL 46 HB VAL 46 5.250 2.890 -5.194 353 HG11 VAL 46 HG11 VAL 46 2.842 1.711 -3.779 354 HG12 VAL 46 HG12 VAL 46 4.460 1.015 -3.881 355 HG13 VAL 46 HG13 VAL 46 3.456 1.125 -5.325 356 HG21 VAL 46 HG21 VAL 46 3.268 3.280 -6.559 357 HG22 VAL 46 HG22 VAL 46 3.689 4.779 -5.732 358 HG23 VAL 46 HG23 VAL 46 2.354 3.792 -5.140 359 H MET 47 H MET 47 7.038 4.024 -3.346 360 HA MET 47 HA MET 47 7.747 1.563 -2.076 361 HB2 MET 47 HB3 MET 47 9.251 4.186 -2.320 362 HB3 MET 47 HB2 MET 47 9.965 2.713 -1.667 363 HG2 MET 47 HG3 MET 47 8.679 2.838 -4.407 364 HG3 MET 47 HG2 MET 47 10.398 3.122 -4.141 365 HE1 MET 47 HE1 MET 47 12.085 1.413 -4.220 366 HE2 MET 47 HE2 MET 47 11.973 -0.134 -3.370 367 HE3 MET 47 HE3 MET 47 11.779 1.377 -2.486 368 H ASP 48 H ASP 48 7.584 4.866 -0.720 369 HA ASP 48 HA ASP 48 8.193 4.154 1.948 370 HB2 ASP 48 HB3 ASP 48 7.856 6.496 0.858 371 HB3 ASP 48 HB2 ASP 48 6.151 6.276 1.245 372 H VAL 49 H VAL 49 5.169 4.027 0.169 373 HA VAL 49 HA VAL 49 3.538 3.435 2.501 374 HB VAL 49 HB VAL 49 2.985 3.123 -0.460 375 HG11 VAL 49 HG11 VAL 49 1.389 1.850 0.822 376 HG12 VAL 49 HG12 VAL 49 0.601 3.346 0.324 377 HG13 VAL 49 HG13 VAL 49 1.190 3.168 1.978 378 HG21 VAL 49 HG21 VAL 49 1.985 5.339 -0.294 379 HG22 VAL 49 HG22 VAL 49 3.641 5.431 0.297 380 HG23 VAL 49 HG23 VAL 49 2.301 5.391 1.437 381 H PHE 50 H PHE 50 4.532 1.490 -0.316 382 HA PHE 50 HA PHE 50 3.502 -0.959 0.752 383 HB2 PHE 50 HB3 PHE 50 5.101 -0.109 -1.581 384 HB3 PHE 50 HB2 PHE 50 5.483 -1.736 -1.030 385 HD1 PHE 50 HD2 PHE 50 2.405 0.382 -1.317 386 HD2 PHE 50 HD1 PHE 50 4.234 -3.420 -2.132 387 HE1 PHE 50 HE2 PHE 50 0.289 -0.417 -2.324 388 HE2 PHE 50 HE1 PHE 50 2.115 -4.219 -3.135 389 HZ PHE 50 HZ PHE 50 0.145 -2.719 -3.239 390 H ASN 51 H ASN 51 6.477 0.775 1.236 391 HA ASN 51 HA ASN 51 7.877 -1.516 2.429 392 HB2 ASN 51 HB3 ASN 51 8.493 1.458 2.471 393 HB3 ASN 51 HB2 ASN 51 9.543 0.207 3.132 394 HD21 ASN 51 HD22 ASN 51 10.067 2.039 0.799 395 HD22 ASN 51 HD21 ASN 51 10.381 1.012 -0.515 396 H LYS 52 H LYS 52 5.735 1.049 3.434 397 HA LYS 52 HA LYS 52 6.329 0.715 6.294 398 HB2 LYS 52 HB3 LYS 52 5.527 2.885 5.575 399 HB3 LYS 52 HB2 LYS 52 4.126 2.163 4.789 400 HG2 LYS 52 HG3 LYS 52 3.131 1.554 6.869 401 HG3 LYS 52 HG2 LYS 52 4.622 1.844 7.761 402 HD2 LYS 52 HD3 LYS 52 3.353 4.133 6.252 403 HD3 LYS 52 HD2 LYS 52 2.669 3.648 7.801 404 HE2 LYS 52 HE3 LYS 52 5.570 4.418 7.341 405 HE3 LYS 52 HE2 LYS 52 4.344 5.440 8.087 406 HZ1 LYS 52 HZ1 LYS 52 5.652 3.037 9.135 407 HZ2 LYS 52 HZ2 LYS 52 4.055 3.354 9.611 408 HZ3 LYS 52 HZ3 LYS 52 5.275 4.496 9.921 409 H ILE 53 H ILE 53 3.739 -0.076 4.055 410 HA ILE 53 HA ILE 53 1.980 -1.461 5.728 411 HB ILE 53 HB ILE 53 2.612 -1.308 2.853 412 HG12 ILE 53 HG13 ILE 53 0.176 -1.208 2.651 413 HG13 ILE 53 HG12 ILE 53 0.007 -1.676 4.340 414 HG21 ILE 53 HG21 ILE 53 1.374 -3.857 3.907 415 HG22 ILE 53 HG22 ILE 53 2.817 -3.701 2.904 416 HG23 ILE 53 HG23 ILE 53 1.235 -3.314 2.237 417 HD11 ILE 53 HD11 ILE 53 0.394 0.430 5.059 418 HD12 ILE 53 HD12 ILE 53 0.150 0.923 3.388 419 HD13 ILE 53 HD13 ILE 53 1.779 0.637 3.993 420 H SER 54 H SER 54 4.845 -2.714 4.021 421 HA SER 54 HA SER 54 4.486 -5.397 5.120 422 HB2 SER 54 HB3 SER 54 5.536 -5.236 2.970 423 HB3 SER 54 HB2 SER 54 6.719 -4.073 3.563 424 HG SER 54 HG SER 54 7.670 -5.672 4.762 425 H GLN 55 H GLN 55 6.510 -2.589 5.930 426 HA GLN 55 HA GLN 55 8.190 -3.993 7.798 427 HB2 GLN 55 HB3 GLN 55 7.453 -1.093 7.392 428 HB3 GLN 55 HB2 GLN 55 8.414 -1.568 8.791 429 HG2 GLN 55 HG3 GLN 55 9.167 -2.347 5.958 430 HG3 GLN 55 HG2 GLN 55 9.743 -0.866 6.722 431 HE21 GLN 55 HE22 GLN 55 10.978 -3.719 5.997 432 HE22 GLN 55 HE21 GLN 55 11.882 -4.073 7.389 433 H LEU 56 H LEU 56 5.060 -2.371 8.103 434 HA LEU 56 HA LEU 56 4.954 -2.971 11.008 435 HB2 LEU 56 HB3 LEU 56 3.199 -1.440 9.080 436 HB3 LEU 56 HB2 LEU 56 2.615 -1.869 10.686 437 HG LEU 56 HG LEU 56 4.409 -0.643 11.747 438 HD11 LEU 56 HD11 LEU 56 6.012 0.686 10.248 439 HD12 LEU 56 HD12 LEU 56 5.481 -0.355 8.928 440 HD13 LEU 56 HD13 LEU 56 6.288 -1.052 10.331 441 HD21 LEU 56 HD21 LEU 56 2.478 0.692 11.056 442 HD22 LEU 56 HD22 LEU 56 3.185 0.931 9.458 443 HD23 LEU 56 HD23 LEU 56 3.948 1.649 10.877 444 H PHE 57 H PHE 57 3.660 -4.134 7.949 445 HA PHE 57 HA PHE 57 2.161 -6.279 9.437 446 HB2 PHE 57 HB3 PHE 57 1.406 -5.488 6.629 447 HB3 PHE 57 HB2 PHE 57 0.405 -6.180 7.901 448 HD1 PHE 57 HD1 PHE 57 0.844 -4.477 10.195 449 HD2 PHE 57 HD2 PHE 57 0.501 -3.374 6.056 450 HE1 PHE 57 HE1 PHE 57 0.081 -2.220 10.861 451 HE2 PHE 57 HE2 PHE 57 -0.266 -1.118 6.728 452 HZ PHE 57 HZ PHE 57 -0.476 -0.537 9.127 453 HA PRO 58 HA PRO 58 5.573 -7.933 6.544 454 HB2 PRO 58 HB2 PRO 58 6.879 -9.406 8.505 455 HB3 PRO 58 HB3 PRO 58 7.327 -7.751 8.044 456 HG2 PRO 58 HG3 PRO 58 5.639 -8.678 10.337 457 HG3 PRO 58 HG2 PRO 58 6.908 -7.436 10.305 458 HD2 PRO 58 HD3 PRO 58 4.302 -6.745 10.252 459 HD3 PRO 58 HD2 PRO 58 5.503 -5.839 9.304 460 H GLY 59 H GLY 59 3.983 -9.578 9.299 461 HA2 GLY 59 HA3 GLY 59 3.827 -12.117 7.835 462 HA3 GLY 59 HA2 GLY 59 3.141 -11.790 9.428 463 H MET 60 H MET 60 2.104 -9.240 7.749 464 HA MET 60 HA MET 60 -0.002 -8.648 6.907 465 HB2 MET 60 HB3 MET 60 0.986 -9.880 4.947 466 HB3 MET 60 HB2 MET 60 0.181 -11.340 5.521 467 HG2 MET 60 HG3 MET 60 -2.002 -10.270 5.309 468 HG3 MET 60 HG2 MET 60 -1.240 -8.746 4.852 469 HE1 MET 60 HE1 MET 60 -2.433 -8.364 2.777 470 HE2 MET 60 HE2 MET 60 -3.458 -9.786 3.020 471 HE3 MET 60 HE3 MET 60 -2.685 -9.508 1.461 472 H THR 61 H THR 61 -1.343 -8.696 8.714 473 HA THR 61 HA THR 61 -2.254 -11.075 10.014 474 HB THR 61 HB THR 61 -3.842 -9.651 11.143 475 HG1 THR 61 HG1 THR 61 -4.734 -8.047 10.144 476 HG21 THR 61 HG21 THR 61 -2.392 -7.840 11.905 477 HG22 THR 61 HG22 THR 61 -1.385 -8.010 10.468 478 HG23 THR 61 HG23 THR 61 -1.433 -9.301 11.668 479 H GLY 62 H GLY 62 -3.874 -8.980 7.603 480 HA2 GLY 62 HA3 GLY 62 -6.238 -10.529 7.352 481 HA3 GLY 62 HA2 GLY 62 -5.593 -9.482 6.087 Start of MODEL 2 1 H2 PRO 1 H2 PRO 1 -14.524 -3.823 1.222 2 H3 PRO 1 H3 PRO 1 -14.415 -5.402 0.591 3 HA PRO 1 HA PRO 1 -12.833 -5.797 2.088 4 HB2 PRO 1 HB2 PRO 1 -10.646 -4.254 1.416 5 HB3 PRO 1 HB3 PRO 1 -11.158 -5.671 0.477 6 HG2 PRO 1 HG3 PRO 1 -11.579 -2.779 -0.096 7 HG3 PRO 1 HG2 PRO 1 -11.324 -4.128 -1.222 8 HD2 PRO 1 HD3 PRO 1 -13.805 -3.009 -0.691 9 HD3 PRO 1 HD2 PRO 1 -13.566 -4.653 -1.298 10 H GLU 2 H GLU 2 -14.674 -3.421 2.622 11 HA GLU 2 HA GLU 2 -13.318 -1.329 3.946 12 HB2 GLU 2 HB3 GLU 2 -15.937 -2.584 4.815 13 HB3 GLU 2 HB2 GLU 2 -15.389 -0.942 5.156 14 HG2 GLU 2 HG3 GLU 2 -15.352 -0.475 2.711 15 HG3 GLU 2 HG2 GLU 2 -15.991 -2.093 2.415 16 H GLU 3 H GLU 3 -13.858 -4.636 4.925 17 HA GLU 3 HA GLU 3 -13.468 -4.376 7.729 18 HB2 GLU 3 HB3 GLU 3 -14.217 -6.469 6.639 19 HB3 GLU 3 HB2 GLU 3 -12.620 -6.656 5.915 20 HG2 GLU 3 HG3 GLU 3 -11.581 -6.897 8.080 21 HG3 GLU 3 HG2 GLU 3 -13.079 -6.462 8.905 22 H VAL 4 H VAL 4 -11.082 -4.949 5.126 23 HA VAL 4 HA VAL 4 -8.826 -4.829 6.959 24 HB VAL 4 HB VAL 4 -8.836 -4.479 3.946 25 HG11 VAL 4 HG11 VAL 4 -6.727 -3.836 5.003 26 HG12 VAL 4 HG12 VAL 4 -6.519 -5.382 4.184 27 HG13 VAL 4 HG13 VAL 4 -6.710 -5.331 5.937 28 HG21 VAL 4 HG21 VAL 4 -8.657 -6.971 5.665 29 HG22 VAL 4 HG22 VAL 4 -8.376 -6.928 3.925 30 HG23 VAL 4 HG23 VAL 4 -9.974 -6.553 4.570 31 H ILE 5 H ILE 5 -10.294 -2.519 4.647 32 HA ILE 5 HA ILE 5 -8.438 -0.422 4.913 33 HB ILE 5 HB ILE 5 -11.457 -0.137 4.832 34 HG12 ILE 5 HG13 ILE 5 -10.311 -1.583 2.987 35 HG13 ILE 5 HG12 ILE 5 -11.389 -0.294 2.473 36 HG21 ILE 5 HG21 ILE 5 -10.490 1.969 5.371 37 HG22 ILE 5 HG22 ILE 5 -10.824 2.030 3.641 38 HG23 ILE 5 HG23 ILE 5 -9.178 1.754 4.212 39 HD11 ILE 5 HD11 ILE 5 -9.585 1.120 1.854 40 HD12 ILE 5 HD12 ILE 5 -9.141 -0.474 1.250 41 HD13 ILE 5 HD13 ILE 5 -8.408 0.144 2.726 42 H SER 6 H SER 6 -10.709 -1.691 7.186 43 HA SER 6 HA SER 6 -10.813 0.563 8.971 44 HB2 SER 6 HB3 SER 6 -11.060 -2.360 9.733 45 HB3 SER 6 HB2 SER 6 -11.731 -0.973 10.585 46 HG SER 6 HG SER 6 -12.408 -1.210 7.911 47 H LYS 7 H LYS 7 -8.608 -2.200 8.638 48 HA LYS 7 HA LYS 7 -7.138 -1.570 11.069 49 HB2 LYS 7 HB3 LYS 7 -5.725 -3.366 10.522 50 HB3 LYS 7 HB2 LYS 7 -7.253 -3.832 9.796 51 HG2 LYS 7 HG3 LYS 7 -5.962 -4.219 7.933 52 HG3 LYS 7 HG2 LYS 7 -6.129 -2.497 7.689 53 HD2 LYS 7 HD3 LYS 7 -3.794 -3.070 7.463 54 HD3 LYS 7 HD2 LYS 7 -3.988 -2.148 8.947 55 HE2 LYS 7 HE3 LYS 7 -4.250 -5.094 9.283 56 HE3 LYS 7 HE2 LYS 7 -2.647 -4.533 8.813 57 HZ1 LYS 7 HZ1 LYS 7 -3.715 -4.489 11.331 58 HZ2 LYS 7 HZ2 LYS 7 -3.791 -2.873 10.823 59 HZ3 LYS 7 HZ3 LYS 7 -2.304 -3.695 10.816 60 H ILE 8 H ILE 8 -6.921 -0.601 7.715 61 HA ILE 8 HA ILE 8 -4.282 0.598 7.941 62 HB ILE 8 HB ILE 8 -6.534 0.748 5.926 63 HG12 ILE 8 HG13 ILE 8 -3.724 -0.138 5.306 64 HG13 ILE 8 HG12 ILE 8 -4.707 -1.205 6.298 65 HG21 ILE 8 HG21 ILE 8 -5.580 2.936 5.758 66 HG22 ILE 8 HG22 ILE 8 -4.836 1.993 4.470 67 HG23 ILE 8 HG23 ILE 8 -3.941 2.314 5.956 68 HD11 ILE 8 HD11 ILE 8 -4.774 -1.530 3.731 69 HD12 ILE 8 HD12 ILE 8 -5.794 -0.091 3.720 70 HD13 ILE 8 HD13 ILE 8 -6.304 -1.523 4.606 71 H MET 9 H MET 9 -7.532 1.616 8.689 72 HA MET 9 HA MET 9 -7.094 4.455 8.627 73 HB2 MET 9 HB3 MET 9 -9.027 2.675 10.133 74 HB3 MET 9 HB2 MET 9 -9.007 4.419 10.391 75 HG2 MET 9 HG3 MET 9 -9.558 4.857 8.100 76 HG3 MET 9 HG2 MET 9 -9.262 3.182 7.638 77 HE1 MET 9 HE1 MET 9 -12.892 5.001 9.723 78 HE2 MET 9 HE2 MET 9 -11.688 5.794 8.698 79 HE3 MET 9 HE3 MET 9 -11.254 5.256 10.318 80 H GLU 10 H GLU 10 -5.655 2.074 10.478 81 HA GLU 10 HA GLU 10 -5.483 3.316 13.055 82 HB2 GLU 10 HB3 GLU 10 -3.617 1.804 13.448 83 HB3 GLU 10 HB2 GLU 10 -4.864 0.939 12.550 84 HG2 GLU 10 HG3 GLU 10 -3.581 1.598 10.420 85 HG3 GLU 10 HG2 GLU 10 -2.265 2.085 11.486 86 H ASN 11 H ASN 11 -3.583 3.650 10.102 87 HA ASN 11 HA ASN 11 -1.952 5.816 11.392 88 HB2 ASN 11 HB3 ASN 11 -1.376 3.910 9.112 89 HB3 ASN 11 HB2 ASN 11 -0.378 5.325 9.445 90 HD21 ASN 11 HD22 ASN 11 -1.492 4.379 12.433 91 HD22 ASN 11 HD21 ASN 11 -0.223 3.350 12.893 92 HA PRO 12 HA PRO 12 -4.920 8.066 8.590 93 HB2 PRO 12 HB2 PRO 12 -3.329 10.239 9.951 94 HB3 PRO 12 HB3 PRO 12 -5.065 10.196 9.567 95 HG2 PRO 12 HG3 PRO 12 -4.254 9.718 12.035 96 HG3 PRO 12 HG2 PRO 12 -5.545 8.734 11.315 97 HD2 PRO 12 HD3 PRO 12 -2.675 8.002 11.807 98 HD3 PRO 12 HD2 PRO 12 -4.125 6.971 11.867 99 H ASP 13 H ASP 13 -1.512 7.881 8.850 100 HA ASP 13 HA ASP 13 -0.796 9.650 6.670 101 HB2 ASP 13 HB3 ASP 13 0.791 8.896 8.464 102 HB3 ASP 13 HB2 ASP 13 0.744 7.276 7.767 103 H VAL 14 H VAL 14 -1.345 6.141 6.974 104 HA VAL 14 HA VAL 14 -0.852 5.641 4.137 105 HB VAL 14 HB VAL 14 -2.212 3.956 6.269 106 HG11 VAL 14 HG11 VAL 14 -1.186 3.242 3.505 107 HG12 VAL 14 HG12 VAL 14 -2.869 3.238 4.027 108 HG13 VAL 14 HG13 VAL 14 -1.738 2.077 4.708 109 HG21 VAL 14 HG21 VAL 14 -0.051 2.785 6.372 110 HG22 VAL 14 HG22 VAL 14 0.160 4.496 6.744 111 HG23 VAL 14 HG23 VAL 14 0.610 3.877 5.155 112 H ALA 15 H ALA 15 -3.685 5.997 6.225 113 HA ALA 15 HA ALA 15 -5.677 5.483 4.273 114 HB1 ALA 15 HB1 ALA 15 -7.175 6.591 5.779 115 HB2 ALA 15 HB2 ALA 15 -5.865 7.536 6.487 116 HB3 ALA 15 HB3 ALA 15 -5.961 5.800 6.783 117 H MET 16 H MET 16 -3.838 8.401 5.048 118 HA MET 16 HA MET 16 -5.290 10.092 3.161 119 HB2 MET 16 HB3 MET 16 -2.713 10.374 4.725 120 HB3 MET 16 HB2 MET 16 -3.208 11.587 3.544 121 HG2 MET 16 HG3 MET 16 -5.018 10.680 5.798 122 HG3 MET 16 HG2 MET 16 -3.916 12.048 5.952 123 HE1 MET 16 HE1 MET 16 -7.543 13.520 5.566 124 HE2 MET 16 HE2 MET 16 -6.192 13.196 6.661 125 HE3 MET 16 HE3 MET 16 -7.239 11.881 6.135 126 H ALA 17 H ALA 17 -2.382 8.108 3.170 127 HA ALA 17 HA ALA 17 -1.423 8.992 0.582 128 HB1 ALA 17 HB1 ALA 17 -0.884 6.302 1.869 129 HB2 ALA 17 HB2 ALA 17 -0.085 7.777 2.409 130 HB3 ALA 17 HB3 ALA 17 0.151 7.201 0.759 131 H PHE 18 H PHE 18 -3.613 6.520 1.769 132 HA PHE 18 HA PHE 18 -3.904 4.934 -0.556 133 HB2 PHE 18 HB3 PHE 18 -5.515 5.576 1.850 134 HB3 PHE 18 HB2 PHE 18 -6.476 5.059 0.469 135 HD1 PHE 18 HD2 PHE 18 -3.038 4.049 1.564 136 HD2 PHE 18 HD1 PHE 18 -7.104 2.813 0.911 137 HE1 PHE 18 HE2 PHE 18 -2.408 1.699 2.048 138 HE2 PHE 18 HE1 PHE 18 -6.467 0.468 1.395 139 HZ PHE 18 HZ PHE 18 -4.117 -0.088 1.952 140 H GLN 19 H GLN 19 -4.733 8.221 0.016 141 HA GLN 19 HA GLN 19 -6.676 8.353 -2.218 142 HB2 GLN 19 HB3 GLN 19 -5.542 10.530 -0.431 143 HB3 GLN 19 HB2 GLN 19 -6.850 10.735 -1.597 144 HG2 GLN 19 HG3 GLN 19 -8.220 9.100 -0.380 145 HG3 GLN 19 HG2 GLN 19 -6.909 8.842 0.772 146 HE21 GLN 19 HE22 GLN 19 -6.042 11.497 1.205 147 HE22 GLN 19 HE21 GLN 19 -7.298 12.384 1.924 148 H ASN 20 H ASN 20 -3.742 7.679 -2.578 149 HA ASN 20 HA ASN 20 -2.951 9.948 -4.369 150 HB2 ASN 20 HB3 ASN 20 -1.318 7.821 -2.946 151 HB3 ASN 20 HB2 ASN 20 -0.650 8.830 -4.225 152 HD21 ASN 20 HD22 ASN 20 -3.027 9.912 -1.783 153 HD22 ASN 20 HD21 ASN 20 -1.992 11.033 -1.038 154 HA PRO 21 HA PRO 21 -3.820 7.125 -7.672 155 HB2 PRO 21 HB2 PRO 21 -2.202 8.088 -9.672 156 HB3 PRO 21 HB3 PRO 21 -3.662 8.939 -9.125 157 HG2 PRO 21 HG3 PRO 21 -0.805 9.423 -8.364 158 HG3 PRO 21 HG2 PRO 21 -2.065 10.597 -8.795 159 HD2 PRO 21 HD3 PRO 21 -1.407 10.094 -6.200 160 HD3 PRO 21 HD2 PRO 21 -3.072 10.496 -6.684 161 H ARG 22 H ARG 22 -0.335 7.778 -7.234 162 HA ARG 22 HA ARG 22 0.639 5.406 -8.459 163 HB2 ARG 22 HB3 ARG 22 1.796 6.917 -6.092 164 HB3 ARG 22 HB2 ARG 22 2.677 5.787 -7.120 165 HG2 ARG 22 HG3 ARG 22 2.508 7.225 -9.024 166 HG3 ARG 22 HG2 ARG 22 1.299 8.243 -8.242 167 HD2 ARG 22 HD3 ARG 22 2.915 9.104 -6.681 168 HD3 ARG 22 HD2 ARG 22 4.126 7.933 -7.199 169 HE ARG 22 HE ARG 22 3.352 9.454 -9.473 170 HH11 ARG 22 HH22 ARG 22 4.932 9.775 -6.420 171 HH12 ARG 22 HH21 ARG 22 5.953 11.074 -6.937 172 HH21 ARG 22 HH11 ARG 22 4.678 11.148 -10.160 173 HH22 ARG 22 HH12 ARG 22 5.810 11.851 -9.053 174 H VAL 23 H VAL 23 -0.498 6.052 -5.176 175 HA VAL 23 HA VAL 23 0.164 3.404 -4.165 176 HB VAL 23 HB VAL 23 -1.739 5.505 -3.085 177 HG11 VAL 23 HG11 VAL 23 -1.289 4.272 -0.913 178 HG12 VAL 23 HG12 VAL 23 -0.553 2.991 -1.879 179 HG13 VAL 23 HG13 VAL 23 -2.261 3.381 -2.083 180 HG21 VAL 23 HG21 VAL 23 0.534 6.368 -3.252 181 HG22 VAL 23 HG22 VAL 23 1.181 4.896 -2.531 182 HG23 VAL 23 HG23 VAL 23 0.202 5.996 -1.560 183 H GLN 24 H GLN 24 -2.933 5.012 -5.018 184 HA GLN 24 HA GLN 24 -4.625 2.779 -4.676 185 HB2 GLN 24 HB3 GLN 24 -5.393 5.105 -5.229 186 HB3 GLN 24 HB2 GLN 24 -4.833 4.855 -6.883 187 HG2 GLN 24 HG3 GLN 24 -6.382 3.003 -7.180 188 HG3 GLN 24 HG2 GLN 24 -6.871 3.097 -5.488 189 HE21 GLN 24 HE22 GLN 24 -8.178 4.975 -4.824 190 HE22 GLN 24 HE21 GLN 24 -8.996 5.914 -5.977 191 H ALA 25 H ALA 25 -2.449 3.641 -7.286 192 HA ALA 25 HA ALA 25 -3.289 1.509 -9.081 193 HB1 ALA 25 HB1 ALA 25 -1.173 2.100 -10.282 194 HB2 ALA 25 HB2 ALA 25 -0.761 3.190 -8.958 195 HB3 ALA 25 HB3 ALA 25 -2.177 3.513 -9.958 196 H ALA 26 H ALA 26 -0.962 1.892 -6.483 197 HA ALA 26 HA ALA 26 0.540 -0.506 -7.025 198 HB1 ALA 26 HB1 ALA 26 0.096 0.827 -4.338 199 HB2 ALA 26 HB2 ALA 26 1.281 1.380 -5.521 200 HB3 ALA 26 HB3 ALA 26 1.440 -0.220 -4.798 201 H LEU 27 H LEU 27 -2.205 0.213 -4.863 202 HA LEU 27 HA LEU 27 -2.469 -2.525 -3.951 203 HB2 LEU 27 HB3 LEU 27 -4.472 -0.249 -3.948 204 HB3 LEU 27 HB2 LEU 27 -4.650 -1.756 -3.052 205 HG LEU 27 HG LEU 27 -2.210 0.003 -2.679 206 HD11 LEU 27 HD11 LEU 27 -4.154 1.428 -2.252 207 HD12 LEU 27 HD12 LEU 27 -3.370 1.010 -0.728 208 HD13 LEU 27 HD13 LEU 27 -4.856 0.191 -1.208 209 HD21 LEU 27 HD21 LEU 27 -2.008 -2.215 -1.719 210 HD22 LEU 27 HD22 LEU 27 -3.609 -2.105 -0.992 211 HD23 LEU 27 HD23 LEU 27 -2.295 -1.094 -0.395 212 H MET 28 H MET 28 -4.262 -0.548 -6.335 213 HA MET 28 HA MET 28 -6.061 -2.590 -7.151 214 HB2 MET 28 HB3 MET 28 -6.139 -0.138 -7.821 215 HB3 MET 28 HB2 MET 28 -4.847 -0.483 -8.969 216 HG2 MET 28 HG3 MET 28 -6.911 -0.647 -10.187 217 HG3 MET 28 HG2 MET 28 -6.346 -2.298 -9.940 218 HE1 MET 28 HE1 MET 28 -8.449 -3.669 -10.090 219 HE2 MET 28 HE2 MET 28 -9.051 -2.177 -10.824 220 HE3 MET 28 HE3 MET 28 -10.032 -3.041 -9.643 221 H GLU 29 H GLU 29 -2.763 -1.815 -8.198 222 HA GLU 29 HA GLU 29 -2.698 -3.907 -10.218 223 HB2 GLU 29 HB3 GLU 29 -1.252 -1.873 -10.296 224 HB3 GLU 29 HB2 GLU 29 -0.384 -2.474 -8.883 225 HG2 GLU 29 HG3 GLU 29 0.386 -4.417 -10.086 226 HG3 GLU 29 HG2 GLU 29 -0.665 -4.056 -11.455 227 H CYS 30 H CYS 30 -2.001 -3.740 -6.758 228 HA CYS 30 HA CYS 30 -0.322 -6.033 -6.557 229 HB2 CYS 30 HB3 CYS 30 -0.741 -6.003 -4.254 230 HB3 CYS 30 HB2 CYS 30 -1.126 -4.347 -4.703 231 HG CYS 30 HG CYS 30 -3.115 -6.410 -3.659 232 H SER 31 H SER 31 -3.815 -5.788 -6.941 233 HA SER 31 HA SER 31 -4.620 -8.367 -6.298 234 HB2 SER 31 HB3 SER 31 -5.581 -6.744 -8.665 235 HB3 SER 31 HB2 SER 31 -6.459 -8.054 -7.880 236 HG SER 31 HG SER 31 -6.617 -6.815 -6.040 237 H GLU 32 H GLU 32 -2.789 -7.263 -9.073 238 HA GLU 32 HA GLU 32 -3.139 -9.629 -10.686 239 HB2 GLU 32 HB3 GLU 32 -0.921 -7.561 -10.629 240 HB3 GLU 32 HB2 GLU 32 -1.085 -8.809 -11.865 241 HG2 GLU 32 HG3 GLU 32 -3.363 -7.936 -12.392 242 HG3 GLU 32 HG2 GLU 32 -3.101 -6.635 -11.230 243 H ASN 33 H ASN 33 -0.390 -8.569 -8.643 244 HA ASN 33 HA ASN 33 0.048 -10.975 -7.302 245 HB2 ASN 33 HB3 ASN 33 0.972 -11.048 -10.114 246 HB3 ASN 33 HB2 ASN 33 2.236 -11.476 -8.970 247 HD21 ASN 33 HD22 ASN 33 2.029 -13.704 -9.967 248 HD22 ASN 33 HD21 ASN 33 0.808 -14.739 -9.402 249 HA PRO 34 HA PRO 34 3.122 -8.612 -5.152 250 HB2 PRO 34 HB2 PRO 34 5.103 -10.786 -5.813 251 HB3 PRO 34 HB3 PRO 34 4.776 -10.003 -4.251 252 HG2 PRO 34 HG3 PRO 34 3.820 -12.423 -4.775 253 HG3 PRO 34 HG2 PRO 34 2.846 -11.233 -3.890 254 HD2 PRO 34 HD3 PRO 34 2.541 -12.177 -6.715 255 HD3 PRO 34 HD2 PRO 34 1.308 -11.598 -5.574 256 H MET 35 H MET 35 3.550 -9.481 -8.428 257 HA MET 35 HA MET 35 6.098 -8.284 -8.965 258 HB2 MET 35 HB3 MET 35 3.695 -8.571 -10.799 259 HB3 MET 35 HB2 MET 35 5.349 -8.243 -11.313 260 HG2 MET 35 HG3 MET 35 4.540 -10.702 -9.736 261 HG3 MET 35 HG2 MET 35 4.678 -10.668 -11.493 262 HE1 MET 35 HE1 MET 35 7.738 -12.669 -10.018 263 HE2 MET 35 HE2 MET 35 6.039 -12.758 -10.506 264 HE3 MET 35 HE3 MET 35 6.465 -12.269 -8.867 265 H ASN 36 H ASN 36 3.217 -6.931 -7.918 266 HA ASN 36 HA ASN 36 3.055 -4.509 -9.374 267 HB2 ASN 36 HB3 ASN 36 2.114 -3.610 -7.105 268 HB3 ASN 36 HB2 ASN 36 1.249 -4.918 -7.907 269 HD21 ASN 36 HD22 ASN 36 3.282 -4.117 -5.138 270 HD22 ASN 36 HD21 ASN 36 3.100 -5.605 -4.343 271 H ILE 37 H ILE 37 4.573 -4.990 -6.182 272 HA ILE 37 HA ILE 37 5.846 -2.466 -6.122 273 HB ILE 37 HB ILE 37 5.482 -4.178 -4.218 274 HG12 ILE 37 HG13 ILE 37 7.551 -3.376 -3.010 275 HG13 ILE 37 HG12 ILE 37 8.115 -2.698 -4.534 276 HG21 ILE 37 HG21 ILE 37 8.220 -5.156 -5.064 277 HG22 ILE 37 HG22 ILE 37 6.734 -6.003 -5.495 278 HG23 ILE 37 HG23 ILE 37 7.175 -5.803 -3.800 279 HD11 ILE 37 HD11 ILE 37 5.346 -1.929 -3.711 280 HD12 ILE 37 HD12 ILE 37 6.611 -0.964 -4.475 281 HD13 ILE 37 HD13 ILE 37 6.666 -1.278 -2.744 282 H MET 38 H MET 38 6.880 -5.534 -7.511 283 HA MET 38 HA MET 38 9.608 -4.917 -7.976 284 HB2 MET 38 HB3 MET 38 7.650 -6.563 -9.605 285 HB3 MET 38 HB2 MET 38 9.385 -6.524 -9.913 286 HG2 MET 38 HG3 MET 38 8.207 -7.258 -7.219 287 HG3 MET 38 HG2 MET 38 8.596 -8.451 -8.458 288 HE1 MET 38 HE1 MET 38 9.943 -8.154 -5.341 289 HE2 MET 38 HE2 MET 38 11.397 -8.992 -5.901 290 HE3 MET 38 HE3 MET 38 9.813 -9.473 -6.502 291 H LYS 39 H LYS 39 6.753 -3.569 -9.327 292 HA LYS 39 HA LYS 39 8.210 -2.426 -11.670 293 HB2 LYS 39 HB3 LYS 39 5.274 -2.380 -10.902 294 HB3 LYS 39 HB2 LYS 39 5.950 -1.651 -12.360 295 HG2 LYS 39 HG3 LYS 39 6.640 -3.786 -13.218 296 HG3 LYS 39 HG2 LYS 39 6.308 -4.582 -11.681 297 HD2 LYS 39 HD3 LYS 39 4.500 -5.059 -13.258 298 HD3 LYS 39 HD2 LYS 39 3.894 -4.052 -11.945 299 HE2 LYS 39 HE3 LYS 39 3.837 -2.109 -13.310 300 HE3 LYS 39 HE2 LYS 39 4.888 -2.831 -14.530 301 HZ1 LYS 39 HZ1 LYS 39 3.004 -4.549 -14.733 302 HZ2 LYS 39 HZ2 LYS 39 2.806 -3.029 -15.460 303 HZ3 LYS 39 HZ3 LYS 39 2.045 -3.366 -13.979 304 H TYR 40 H TYR 40 6.252 -1.388 -8.856 305 HA TYR 40 HA TYR 40 6.802 1.426 -9.315 306 HB2 TYR 40 HB3 TYR 40 5.803 0.054 -6.802 307 HB3 TYR 40 HB2 TYR 40 5.660 1.759 -7.205 308 HD1 TYR 40 HD1 TYR 40 4.561 2.296 -9.525 309 HD2 TYR 40 HD2 TYR 40 3.976 -1.357 -7.343 310 HE1 TYR 40 HE1 TYR 40 2.469 1.882 -10.785 311 HE2 TYR 40 HE2 TYR 40 1.886 -1.770 -8.604 312 HH TYR 40 HH TYR 40 0.450 0.643 -10.636 313 H GLN 41 H GLN 41 8.860 -0.935 -8.526 314 HA GLN 41 HA GLN 41 10.183 -0.201 -6.157 315 HB2 GLN 41 HB3 GLN 41 12.258 -1.093 -7.317 316 HB3 GLN 41 HB2 GLN 41 10.870 -2.181 -7.333 317 HG2 GLN 41 HG3 GLN 41 10.304 -1.502 -9.603 318 HG3 GLN 41 HG2 GLN 41 11.596 -0.301 -9.598 319 HE21 GLN 41 HE22 GLN 41 13.470 -1.021 -10.605 320 HE22 GLN 41 HE21 GLN 41 13.971 -2.640 -10.699 321 H ASN 42 H ASN 42 9.941 1.495 -9.154 322 HA ASN 42 HA ASN 42 12.232 3.281 -8.544 323 HB2 ASN 42 HB3 ASN 42 11.575 4.375 -10.694 324 HB3 ASN 42 HB2 ASN 42 11.903 2.651 -10.881 325 HD21 ASN 42 HD22 ASN 42 10.193 4.122 -12.698 326 HD22 ASN 42 HD21 ASN 42 8.618 3.509 -12.536 327 H ASP 43 H ASP 43 8.796 3.098 -8.133 328 HA ASP 43 HA ASP 43 8.438 6.002 -7.808 329 HB2 ASP 43 HB3 ASP 43 6.689 4.221 -8.613 330 HB3 ASP 43 HB2 ASP 43 6.465 3.901 -6.898 331 H LYS 44 H LYS 44 9.950 6.448 -6.101 332 HA LYS 44 HA LYS 44 10.284 5.128 -3.697 333 HB2 LYS 44 HB3 LYS 44 11.587 7.119 -4.470 334 HB3 LYS 44 HB2 LYS 44 10.221 8.137 -4.012 335 HG2 LYS 44 HG3 LYS 44 10.409 7.435 -1.691 336 HG3 LYS 44 HG2 LYS 44 11.670 6.275 -2.108 337 HD2 LYS 44 HD3 LYS 44 13.088 8.171 -2.912 338 HD3 LYS 44 HD2 LYS 44 11.848 9.292 -2.346 339 HE2 LYS 44 HE3 LYS 44 13.626 9.035 -0.658 340 HE3 LYS 44 HE2 LYS 44 12.093 8.406 -0.053 341 HZ1 LYS 44 HZ1 LYS 44 13.960 6.607 -1.442 342 HZ2 LYS 44 HZ2 LYS 44 12.789 6.242 -0.271 343 HZ3 LYS 44 HZ3 LYS 44 14.236 7.004 0.187 344 H GLU 45 H GLU 45 7.581 7.146 -4.661 345 HA GLU 45 HA GLU 45 6.505 7.605 -2.042 346 HB2 GLU 45 HB3 GLU 45 5.809 8.769 -4.194 347 HB3 GLU 45 HB2 GLU 45 4.915 7.309 -4.610 348 HG2 GLU 45 HG3 GLU 45 3.349 8.802 -3.562 349 HG3 GLU 45 HG2 GLU 45 3.705 7.539 -2.385 350 H VAL 46 H VAL 46 5.707 5.127 -4.486 351 HA VAL 46 HA VAL 46 3.878 3.679 -2.825 352 HB VAL 46 HB VAL 46 5.576 2.624 -5.100 353 HG11 VAL 46 HG11 VAL 46 2.994 1.669 -3.834 354 HG12 VAL 46 HG12 VAL 46 4.543 0.826 -3.847 355 HG13 VAL 46 HG13 VAL 46 3.642 1.036 -5.347 356 HG21 VAL 46 HG21 VAL 46 3.657 3.183 -6.534 357 HG22 VAL 46 HG22 VAL 46 4.275 4.633 -5.745 358 HG23 VAL 46 HG23 VAL 46 2.807 3.861 -5.146 359 H MET 47 H MET 47 7.368 3.508 -3.278 360 HA MET 47 HA MET 47 7.796 1.020 -1.940 361 HB2 MET 47 HB3 MET 47 9.595 3.458 -2.121 362 HB3 MET 47 HB2 MET 47 10.112 1.869 -1.561 363 HG2 MET 47 HG3 MET 47 9.634 0.880 -3.716 364 HG3 MET 47 HG2 MET 47 8.887 2.371 -4.287 365 HE1 MET 47 HE1 MET 47 12.169 1.105 -2.527 366 HE2 MET 47 HE2 MET 47 13.308 1.336 -3.861 367 HE3 MET 47 HE3 MET 47 11.929 0.257 -4.053 368 H ASP 48 H ASP 48 7.799 4.356 -0.728 369 HA ASP 48 HA ASP 48 8.323 3.689 1.998 370 HB2 ASP 48 HB3 ASP 48 7.059 6.021 0.562 371 HB3 ASP 48 HB2 ASP 48 7.041 5.975 2.325 372 H VAL 49 H VAL 49 5.358 3.792 0.108 373 HA VAL 49 HA VAL 49 3.590 3.491 2.403 374 HB VAL 49 HB VAL 49 3.185 3.152 -0.582 375 HG11 VAL 49 HG11 VAL 49 0.733 3.446 0.066 376 HG12 VAL 49 HG12 VAL 49 1.223 3.097 1.722 377 HG13 VAL 49 HG13 VAL 49 1.448 1.885 0.461 378 HG21 VAL 49 HG21 VAL 49 2.280 5.377 -0.508 379 HG22 VAL 49 HG22 VAL 49 3.814 5.437 0.354 380 HG23 VAL 49 HG23 VAL 49 2.300 5.397 1.253 381 H PHE 50 H PHE 50 4.475 1.323 -0.281 382 HA PHE 50 HA PHE 50 3.217 -0.973 0.868 383 HB2 PHE 50 HB3 PHE 50 4.843 -0.346 -1.493 384 HB3 PHE 50 HB2 PHE 50 5.220 -1.942 -0.851 385 HD1 PHE 50 HD1 PHE 50 2.231 0.234 -1.458 386 HD2 PHE 50 HD2 PHE 50 3.875 -3.733 -1.625 387 HE1 PHE 50 HE1 PHE 50 0.104 -0.604 -2.406 388 HE2 PHE 50 HE2 PHE 50 1.747 -4.568 -2.578 389 HZ PHE 50 HZ PHE 50 -0.137 -3.009 -2.974 390 H ASN 51 H ASN 51 6.327 0.514 1.338 391 HA ASN 51 HA ASN 51 7.497 -1.833 2.662 392 HB2 ASN 51 HB3 ASN 51 8.947 -0.142 1.557 393 HB3 ASN 51 HB2 ASN 51 8.391 1.069 2.715 394 HD21 ASN 51 HD22 ASN 51 10.105 1.387 4.152 395 HD22 ASN 51 HD21 ASN 51 10.972 0.141 4.912 396 H LYS 52 H LYS 52 5.551 0.937 3.504 397 HA LYS 52 HA LYS 52 6.057 0.693 6.388 398 HB2 LYS 52 HB3 LYS 52 5.374 2.865 5.425 399 HB3 LYS 52 HB2 LYS 52 3.865 2.144 4.862 400 HG2 LYS 52 HG3 LYS 52 3.119 1.741 7.113 401 HG3 LYS 52 HG2 LYS 52 4.696 2.174 7.775 402 HD2 LYS 52 HD3 LYS 52 4.387 4.489 6.868 403 HD3 LYS 52 HD2 LYS 52 2.762 4.032 6.355 404 HE2 LYS 52 HE3 LYS 52 2.549 5.122 8.491 405 HE3 LYS 52 HE2 LYS 52 2.284 3.400 8.762 406 HZ1 LYS 52 HZ1 LYS 52 4.478 5.097 9.616 407 HZ2 LYS 52 HZ2 LYS 52 4.920 3.554 9.071 408 HZ3 LYS 52 HZ3 LYS 52 3.818 3.716 10.354 409 H ILE 53 H ILE 53 3.460 -0.019 4.129 410 HA ILE 53 HA ILE 53 1.589 -1.216 5.818 411 HB ILE 53 HB ILE 53 2.300 -1.249 2.957 412 HG12 ILE 53 HG13 ILE 53 -0.111 -0.986 2.678 413 HG13 ILE 53 HG12 ILE 53 -0.363 -1.371 4.378 414 HG21 ILE 53 HG21 ILE 53 0.874 -3.658 4.094 415 HG22 ILE 53 HG22 ILE 53 2.343 -3.641 3.119 416 HG23 ILE 53 HG23 ILE 53 0.802 -3.186 2.399 417 HD11 ILE 53 HD11 ILE 53 -0.024 1.168 3.345 418 HD12 ILE 53 HD12 ILE 53 1.577 0.800 3.976 419 HD13 ILE 53 HD13 ILE 53 0.177 0.724 5.036 420 H SER 54 H SER 54 4.466 -2.654 4.320 421 HA SER 54 HA SER 54 3.926 -5.284 5.483 422 HB2 SER 54 HB3 SER 54 5.066 -5.263 3.380 423 HB3 SER 54 HB2 SER 54 6.270 -4.119 3.966 424 HG SER 54 HG SER 54 6.421 -6.722 4.004 425 H GLN 55 H GLN 55 5.776 -2.453 6.486 426 HA GLN 55 HA GLN 55 7.441 -3.930 8.370 427 HB2 GLN 55 HB3 GLN 55 6.820 -1.016 7.889 428 HB3 GLN 55 HB2 GLN 55 7.676 -1.492 9.354 429 HG2 GLN 55 HG3 GLN 55 8.581 -2.349 6.589 430 HG3 GLN 55 HG2 GLN 55 9.152 -0.871 7.361 431 HE21 GLN 55 HE22 GLN 55 9.551 -4.316 7.241 432 HE22 GLN 55 HE21 GLN 55 10.689 -4.439 8.495 433 H LEU 56 H LEU 56 4.309 -2.363 8.450 434 HA LEU 56 HA LEU 56 4.042 -2.896 11.372 435 HB2 LEU 56 HB3 LEU 56 2.015 -1.525 9.596 436 HB3 LEU 56 HB2 LEU 56 2.227 -1.366 11.340 437 HG LEU 56 HG LEU 56 4.134 -0.381 9.196 438 HD11 LEU 56 HD11 LEU 56 2.331 1.043 11.160 439 HD12 LEU 56 HD12 LEU 56 2.183 1.031 9.403 440 HD13 LEU 56 HD13 LEU 56 3.550 1.842 10.167 441 HD21 LEU 56 HD21 LEU 56 5.287 0.675 11.226 442 HD22 LEU 56 HD22 LEU 56 5.494 -1.064 11.038 443 HD23 LEU 56 HD23 LEU 56 4.342 -0.437 12.216 444 H PHE 57 H PHE 57 2.934 -3.994 8.241 445 HA PHE 57 HA PHE 57 1.178 -6.022 9.600 446 HB2 PHE 57 HB3 PHE 57 0.654 -5.170 6.758 447 HB3 PHE 57 HB2 PHE 57 -0.474 -5.781 7.965 448 HD1 PHE 57 HD2 PHE 57 -0.112 -4.133 10.276 449 HD2 PHE 57 HD1 PHE 57 0.020 -2.974 6.145 450 HE1 PHE 57 HE2 PHE 57 -0.723 -1.817 10.908 451 HE2 PHE 57 HE1 PHE 57 -0.596 -0.661 6.778 452 HZ PHE 57 HZ PHE 57 -0.968 -0.080 9.158 453 HA PRO 58 HA PRO 58 4.612 -7.858 6.832 454 HB2 PRO 58 HB2 PRO 58 5.953 -9.218 8.824 455 HB3 PRO 58 HB3 PRO 58 6.359 -7.561 8.331 456 HG2 PRO 58 HG3 PRO 58 4.673 -8.480 10.632 457 HG3 PRO 58 HG2 PRO 58 5.941 -7.237 10.596 458 HD2 PRO 58 HD3 PRO 58 3.330 -6.550 10.505 459 HD3 PRO 58 HD2 PRO 58 4.546 -5.654 9.563 460 H GLY 59 H GLY 59 2.034 -8.796 8.745 461 HA2 GLY 59 HA3 GLY 59 1.426 -11.142 7.324 462 HA3 GLY 59 HA2 GLY 59 2.329 -11.660 8.749 463 H MET 60 H MET 60 -0.621 -10.071 7.657 464 HA MET 60 HA MET 60 -2.096 -11.066 9.939 465 HB2 MET 60 HB3 MET 60 -0.861 -9.104 10.940 466 HB3 MET 60 HB2 MET 60 -1.701 -8.057 9.800 467 HG2 MET 60 HG3 MET 60 -3.254 -9.909 11.622 468 HG3 MET 60 HG2 MET 60 -2.717 -8.327 12.180 469 HE1 MET 60 HE1 MET 60 -6.547 -8.012 11.465 470 HE2 MET 60 HE2 MET 60 -5.290 -8.336 12.667 471 HE3 MET 60 HE3 MET 60 -5.857 -9.627 11.610 472 H THR 61 H THR 61 -2.242 -8.210 7.770 473 HA THR 61 HA THR 61 -5.030 -8.382 7.271 474 HB THR 61 HB THR 61 -3.878 -6.374 6.639 475 HG1 THR 61 HG1 THR 61 -5.567 -7.124 5.221 476 HG21 THR 61 HG21 THR 61 -1.653 -7.277 6.288 477 HG22 THR 61 HG22 THR 61 -2.145 -6.415 4.831 478 HG23 THR 61 HG23 THR 61 -2.200 -8.177 4.874 479 H GLY 62 H GLY 62 -2.385 -10.265 6.039 480 HA2 GLY 62 HA3 GLY 62 -3.515 -11.193 3.600 481 HA3 GLY 62 HA2 GLY 62 -2.356 -12.098 4.574 Start of MODEL 3 1 H2 PRO 1 H2 PRO 1 -15.005 -1.900 -0.333 2 H3 PRO 1 H3 PRO 1 -14.681 -3.226 -1.351 3 HA PRO 1 HA PRO 1 -13.090 -3.823 0.064 4 HB2 PRO 1 HB2 PRO 1 -11.120 -1.889 -0.026 5 HB3 PRO 1 HB3 PRO 1 -11.400 -3.056 -1.335 6 HG2 PRO 1 HG3 PRO 1 -12.197 -0.192 -1.160 7 HG3 PRO 1 HG2 PRO 1 -11.737 -1.152 -2.580 8 HD2 PRO 1 HD3 PRO 1 -14.357 -0.525 -1.923 9 HD3 PRO 1 HD2 PRO 1 -13.888 -1.904 -2.924 10 H GLU 2 H GLU 2 -15.235 -1.872 1.086 11 HA GLU 2 HA GLU 2 -14.154 -0.137 3.045 12 HB2 GLU 2 HB3 GLU 2 -16.730 -1.736 3.077 13 HB3 GLU 2 HB2 GLU 2 -16.345 -0.463 4.235 14 HG2 GLU 2 HG3 GLU 2 -17.690 0.528 2.492 15 HG3 GLU 2 HG2 GLU 2 -16.039 1.110 2.280 16 H GLU 3 H GLU 3 -14.456 -3.610 3.001 17 HA GLU 3 HA GLU 3 -14.271 -4.139 5.791 18 HB2 GLU 3 HB3 GLU 3 -14.795 -5.878 4.123 19 HB3 GLU 3 HB2 GLU 3 -13.162 -5.750 3.470 20 HG2 GLU 3 HG3 GLU 3 -12.189 -6.555 5.519 21 HG3 GLU 3 HG2 GLU 3 -13.733 -6.444 6.365 22 H VAL 4 H VAL 4 -11.646 -3.980 3.351 23 HA VAL 4 HA VAL 4 -9.567 -4.199 5.352 24 HB VAL 4 HB VAL 4 -9.438 -3.176 2.500 25 HG11 VAL 4 HG11 VAL 4 -7.007 -3.859 2.749 26 HG12 VAL 4 HG12 VAL 4 -7.299 -4.018 4.481 27 HG13 VAL 4 HG13 VAL 4 -7.470 -2.447 3.697 28 HG21 VAL 4 HG21 VAL 4 -8.659 -5.475 2.020 29 HG22 VAL 4 HG22 VAL 4 -10.287 -5.479 2.698 30 HG23 VAL 4 HG23 VAL 4 -8.909 -5.906 3.712 31 H ILE 5 H ILE 5 -10.826 -1.433 3.462 32 HA ILE 5 HA ILE 5 -9.177 0.586 4.467 33 HB ILE 5 HB ILE 5 -12.145 0.772 3.908 34 HG12 ILE 5 HG13 ILE 5 -9.788 1.456 2.118 35 HG13 ILE 5 HG12 ILE 5 -10.643 -0.084 2.042 36 HG21 ILE 5 HG21 ILE 5 -11.476 2.710 5.165 37 HG22 ILE 5 HG22 ILE 5 -11.521 3.207 3.477 38 HG23 ILE 5 HG23 ILE 5 -9.975 2.863 4.251 39 HD11 ILE 5 HD11 ILE 5 -12.737 1.062 1.519 40 HD12 ILE 5 HD12 ILE 5 -11.494 1.550 0.368 41 HD13 ILE 5 HD13 ILE 5 -11.948 2.630 1.686 42 H SER 6 H SER 6 -11.687 -1.191 6.089 43 HA SER 6 HA SER 6 -12.077 0.679 8.262 44 HB2 SER 6 HB3 SER 6 -12.457 -2.332 8.237 45 HB3 SER 6 HB2 SER 6 -13.107 -1.218 9.436 46 HG SER 6 HG SER 6 -14.115 -1.907 7.063 47 H LYS 7 H LYS 7 -9.882 -2.046 7.677 48 HA LYS 7 HA LYS 7 -8.719 -1.894 10.347 49 HB2 LYS 7 HB3 LYS 7 -7.506 -3.773 9.773 50 HB3 LYS 7 HB2 LYS 7 -8.806 -3.898 8.601 51 HG2 LYS 7 HG3 LYS 7 -7.017 -4.188 7.161 52 HG3 LYS 7 HG2 LYS 7 -7.104 -2.437 7.104 53 HD2 LYS 7 HD3 LYS 7 -4.826 -2.750 7.562 54 HD3 LYS 7 HD2 LYS 7 -5.459 -2.590 9.196 55 HE2 LYS 7 HE3 LYS 7 -5.686 -5.138 9.214 56 HE3 LYS 7 HE2 LYS 7 -4.739 -5.137 7.727 57 HZ1 LYS 7 HZ1 LYS 7 -3.693 -3.572 9.949 58 HZ2 LYS 7 HZ2 LYS 7 -2.872 -4.515 8.804 59 HZ3 LYS 7 HZ3 LYS 7 -3.641 -5.261 10.122 60 H ILE 8 H ILE 8 -8.008 -0.423 7.237 61 HA ILE 8 HA ILE 8 -5.342 0.422 7.713 62 HB ILE 8 HB ILE 8 -7.490 1.989 6.259 63 HG12 ILE 8 HG13 ILE 8 -7.378 -0.359 5.469 64 HG13 ILE 8 HG12 ILE 8 -6.826 0.770 4.241 65 HG21 ILE 8 HG21 ILE 8 -5.507 2.753 4.907 66 HG22 ILE 8 HG22 ILE 8 -4.471 1.954 6.089 67 HG23 ILE 8 HG23 ILE 8 -5.498 3.299 6.585 68 HD11 ILE 8 HD11 ILE 8 -5.263 -0.998 4.194 69 HD12 ILE 8 HD12 ILE 8 -5.197 -1.105 5.946 70 HD13 ILE 8 HD13 ILE 8 -4.449 0.257 5.121 71 H MET 9 H MET 9 -8.339 1.524 9.083 72 HA MET 9 HA MET 9 -7.626 4.151 9.866 73 HB2 MET 9 HB3 MET 9 -9.413 4.017 11.441 74 HB3 MET 9 HB2 MET 9 -9.894 2.970 10.109 75 HG2 MET 9 HG3 MET 9 -8.788 1.056 11.477 76 HG3 MET 9 HG2 MET 9 -8.858 2.178 12.835 77 HE1 MET 9 HE1 MET 9 -10.356 -0.787 12.259 78 HE2 MET 9 HE2 MET 9 -11.745 -0.466 13.307 79 HE3 MET 9 HE3 MET 9 -10.131 0.043 13.797 80 H GLU 10 H GLU 10 -6.126 1.277 10.674 81 HA GLU 10 HA GLU 10 -5.414 1.755 13.418 82 HB2 GLU 10 HB3 GLU 10 -3.692 0.044 13.026 83 HB3 GLU 10 HB2 GLU 10 -5.228 -0.457 12.317 84 HG2 GLU 10 HG3 GLU 10 -4.407 0.516 10.115 85 HG3 GLU 10 HG2 GLU 10 -2.825 0.699 10.872 86 H ASN 11 H ASN 11 -4.482 3.278 10.521 87 HA ASN 11 HA ASN 11 -2.472 4.890 11.939 88 HB2 ASN 11 HB3 ASN 11 -1.755 3.088 9.610 89 HB3 ASN 11 HB2 ASN 11 -0.745 4.430 10.148 90 HD21 ASN 11 HD22 ASN 11 -0.775 4.268 12.887 91 HD22 ASN 11 HD21 ASN 11 -0.205 2.759 13.416 92 HA PRO 12 HA PRO 12 -5.209 7.265 9.000 93 HB2 PRO 12 HB2 PRO 12 -3.730 9.377 10.567 94 HB3 PRO 12 HB3 PRO 12 -5.431 9.354 10.047 95 HG2 PRO 12 HG3 PRO 12 -4.817 8.774 12.548 96 HG3 PRO 12 HG2 PRO 12 -6.044 7.820 11.690 97 HD2 PRO 12 HD3 PRO 12 -3.218 7.070 12.373 98 HD3 PRO 12 HD2 PRO 12 -4.665 6.037 12.284 99 H ASP 13 H ASP 13 -1.834 7.005 9.448 100 HA ASP 13 HA ASP 13 -0.953 8.911 7.454 101 HB2 ASP 13 HB3 ASP 13 0.506 7.959 9.267 102 HB3 ASP 13 HB2 ASP 13 0.459 6.408 8.429 103 H VAL 14 H VAL 14 -1.650 5.424 7.444 104 HA VAL 14 HA VAL 14 -0.985 5.088 4.623 105 HB VAL 14 HB VAL 14 -2.603 3.363 6.530 106 HG11 VAL 14 HG11 VAL 14 -1.497 2.839 3.757 107 HG12 VAL 14 HG12 VAL 14 -3.180 2.761 4.276 108 HG13 VAL 14 HG13 VAL 14 -2.029 1.555 4.844 109 HG21 VAL 14 HG21 VAL 14 0.250 2.968 5.589 110 HG22 VAL 14 HG22 VAL 14 -0.587 2.117 6.886 111 HG23 VAL 14 HG23 VAL 14 -0.148 3.812 7.085 112 H ALA 15 H ALA 15 -3.902 5.618 6.525 113 HA ALA 15 HA ALA 15 -5.806 5.304 4.436 114 HB1 ALA 15 HB1 ALA 15 -6.275 5.552 6.903 115 HB2 ALA 15 HB2 ALA 15 -7.293 6.552 5.867 116 HB3 ALA 15 HB3 ALA 15 -5.936 7.273 6.731 117 H MET 16 H MET 16 -3.774 8.012 5.423 118 HA MET 16 HA MET 16 -4.958 9.912 3.556 119 HB2 MET 16 HB3 MET 16 -3.722 10.530 5.673 120 HB3 MET 16 HB2 MET 16 -2.233 10.011 4.884 121 HG2 MET 16 HG3 MET 16 -2.556 11.664 3.111 122 HG3 MET 16 HG2 MET 16 -4.102 12.147 3.811 123 HE1 MET 16 HE1 MET 16 -1.309 13.758 3.076 124 HE2 MET 16 HE2 MET 16 -1.352 15.011 4.324 125 HE3 MET 16 HE3 MET 16 -2.823 14.572 3.460 126 H ALA 17 H ALA 17 -2.220 7.704 3.618 127 HA ALA 17 HA ALA 17 -1.072 8.591 1.109 128 HB1 ALA 17 HB1 ALA 17 0.306 6.622 1.267 129 HB2 ALA 17 HB2 ALA 17 -0.825 5.847 2.376 130 HB3 ALA 17 HB3 ALA 17 0.116 7.240 2.907 131 H PHE 18 H PHE 18 -3.502 6.280 2.112 132 HA PHE 18 HA PHE 18 -3.811 4.823 -0.317 133 HB2 PHE 18 HB3 PHE 18 -5.448 5.436 2.092 134 HB3 PHE 18 HB2 PHE 18 -6.372 4.975 0.670 135 HD1 PHE 18 HD2 PHE 18 -2.956 3.777 1.636 136 HD2 PHE 18 HD1 PHE 18 -7.128 2.795 1.271 137 HE1 PHE 18 HE2 PHE 18 -2.442 1.397 2.085 138 HE2 PHE 18 HE1 PHE 18 -6.607 0.419 1.727 139 HZ PHE 18 HZ PHE 18 -4.263 -0.283 2.129 140 H GLN 19 H GLN 19 -4.533 8.104 0.482 141 HA GLN 19 HA GLN 19 -6.483 8.474 -1.694 142 HB2 GLN 19 HB3 GLN 19 -5.078 10.513 0.061 143 HB3 GLN 19 HB2 GLN 19 -6.441 10.836 -1.009 144 HG2 GLN 19 HG3 GLN 19 -6.526 8.841 1.273 145 HG3 GLN 19 HG2 GLN 19 -7.098 10.504 1.399 146 HE21 GLN 19 HE22 GLN 19 -8.493 7.675 1.280 147 HE22 GLN 19 HE21 GLN 19 -9.750 7.930 0.168 148 H ASN 20 H ASN 20 -3.510 7.659 -2.076 149 HA ASN 20 HA ASN 20 -2.722 9.858 -3.950 150 HB2 ASN 20 HB3 ASN 20 -1.116 7.681 -2.578 151 HB3 ASN 20 HB2 ASN 20 -0.459 8.691 -3.864 152 HD21 ASN 20 HD22 ASN 20 0.325 8.605 -0.953 153 HD22 ASN 20 HD21 ASN 20 0.120 10.193 -0.388 154 HA PRO 21 HA PRO 21 -3.822 6.994 -7.157 155 HB2 PRO 21 HB2 PRO 21 -2.335 7.935 -9.265 156 HB3 PRO 21 HB3 PRO 21 -3.760 8.790 -8.637 157 HG2 PRO 21 HG3 PRO 21 -0.862 9.291 -8.070 158 HG3 PRO 21 HG2 PRO 21 -2.153 10.456 -8.427 159 HD2 PRO 21 HD3 PRO 21 -1.316 9.974 -5.876 160 HD3 PRO 21 HD2 PRO 21 -3.008 10.381 -6.251 161 H ARG 22 H ARG 22 -0.314 7.652 -6.946 162 HA ARG 22 HA ARG 22 0.582 5.270 -8.207 163 HB2 ARG 22 HB3 ARG 22 1.878 6.811 -5.934 164 HB3 ARG 22 HB2 ARG 22 2.695 5.651 -6.982 165 HG2 ARG 22 HG3 ARG 22 2.389 7.043 -8.915 166 HG3 ARG 22 HG2 ARG 22 1.277 8.107 -8.054 167 HD2 ARG 22 HD3 ARG 22 4.179 7.730 -7.266 168 HD3 ARG 22 HD2 ARG 22 3.608 9.038 -8.301 169 HE ARG 22 HE ARG 22 2.088 8.954 -5.853 170 HH11 ARG 22 HH22 ARG 22 5.135 9.806 -7.234 171 HH12 ARG 22 HH21 ARG 22 5.466 11.042 -6.067 172 HH21 ARG 22 HH11 ARG 22 2.507 10.563 -4.325 173 HH22 ARG 22 HH12 ARG 22 3.979 11.470 -4.421 174 H VAL 23 H VAL 23 -0.451 5.918 -4.903 175 HA VAL 23 HA VAL 23 0.331 3.314 -3.868 176 HB VAL 23 HB VAL 23 -1.635 5.358 -2.785 177 HG11 VAL 23 HG11 VAL 23 -0.310 2.928 -1.543 178 HG12 VAL 23 HG12 VAL 23 -2.039 3.210 -1.748 179 HG13 VAL 23 HG13 VAL 23 -1.117 4.185 -0.605 180 HG21 VAL 23 HG21 VAL 23 1.288 4.849 -2.153 181 HG22 VAL 23 HG22 VAL 23 0.262 6.053 -1.372 182 HG23 VAL 23 HG23 VAL 23 0.674 6.216 -3.080 183 H GLN 24 H GLN 24 -2.837 4.786 -4.693 184 HA GLN 24 HA GLN 24 -4.412 2.465 -4.301 185 HB2 GLN 24 HB3 GLN 24 -5.309 4.763 -4.775 186 HB3 GLN 24 HB2 GLN 24 -4.811 4.566 -6.456 187 HG2 GLN 24 HG3 GLN 24 -6.281 2.643 -6.716 188 HG3 GLN 24 HG2 GLN 24 -6.703 2.693 -5.004 189 HE21 GLN 24 HE22 GLN 24 -6.309 5.700 -6.801 190 HE22 GLN 24 HE21 GLN 24 -7.956 6.109 -6.838 191 H ALA 25 H ALA 25 -2.385 3.469 -6.990 192 HA ALA 25 HA ALA 25 -3.228 1.385 -8.814 193 HB1 ALA 25 HB1 ALA 25 -1.200 2.017 -10.075 194 HB2 ALA 25 HB2 ALA 25 -0.637 2.967 -8.700 195 HB3 ALA 25 HB3 ALA 25 -2.089 3.455 -9.573 196 H ALA 26 H ALA 26 -0.742 1.683 -6.328 197 HA ALA 26 HA ALA 26 0.619 -0.777 -6.978 198 HB1 ALA 26 HB1 ALA 26 1.599 -0.559 -4.718 199 HB2 ALA 26 HB2 ALA 26 0.436 0.710 -4.337 200 HB3 ALA 26 HB3 ALA 26 1.656 0.978 -5.581 201 H LEU 27 H LEU 27 -1.935 0.067 -4.637 202 HA LEU 27 HA LEU 27 -2.234 -2.610 -3.610 203 HB2 LEU 27 HB3 LEU 27 -4.321 -0.411 -3.696 204 HB3 LEU 27 HB2 LEU 27 -4.293 -1.791 -2.601 205 HG LEU 27 HG LEU 27 -2.080 0.284 -2.704 206 HD11 LEU 27 HD11 LEU 27 -3.105 1.272 -0.704 207 HD12 LEU 27 HD12 LEU 27 -4.439 0.125 -0.807 208 HD13 LEU 27 HD13 LEU 27 -4.222 1.341 -2.065 209 HD21 LEU 27 HD21 LEU 27 -1.303 -1.736 -1.675 210 HD22 LEU 27 HD22 LEU 27 -2.812 -1.956 -0.791 211 HD23 LEU 27 HD23 LEU 27 -1.708 -0.657 -0.347 212 H MET 28 H MET 28 -4.125 -0.745 -6.016 213 HA MET 28 HA MET 28 -5.922 -2.845 -6.691 214 HB2 MET 28 HB3 MET 28 -6.145 -0.458 -7.446 215 HB3 MET 28 HB2 MET 28 -4.811 -0.731 -8.566 216 HG2 MET 28 HG3 MET 28 -6.069 -2.450 -9.732 217 HG3 MET 28 HG2 MET 28 -7.371 -2.356 -8.547 218 HE1 MET 28 HE1 MET 28 -9.575 -0.874 -9.161 219 HE2 MET 28 HE2 MET 28 -9.155 0.843 -9.081 220 HE3 MET 28 HE3 MET 28 -8.490 -0.286 -7.903 221 H GLU 29 H GLU 29 -2.695 -2.030 -7.919 222 HA GLU 29 HA GLU 29 -2.676 -4.210 -9.843 223 HB2 GLU 29 HB3 GLU 29 -1.243 -2.149 -10.035 224 HB3 GLU 29 HB2 GLU 29 -0.303 -2.735 -8.661 225 HG2 GLU 29 HG3 GLU 29 0.289 -4.762 -9.880 226 HG3 GLU 29 HG2 GLU 29 -0.733 -4.288 -11.231 227 H CYS 30 H CYS 30 -1.753 -3.793 -6.452 228 HA CYS 30 HA CYS 30 -0.117 -6.082 -6.092 229 HB2 CYS 30 HB3 CYS 30 -0.702 -4.403 -4.299 230 HB3 CYS 30 HB2 CYS 30 -2.281 -5.171 -4.164 231 HG CYS 30 HG CYS 30 -1.064 -6.616 -2.531 232 H SER 31 H SER 31 -3.540 -5.823 -6.719 233 HA SER 31 HA SER 31 -4.505 -8.285 -5.858 234 HB2 SER 31 HB3 SER 31 -6.204 -8.079 -7.584 235 HB3 SER 31 HB2 SER 31 -5.867 -6.476 -6.935 236 HG SER 31 HG SER 31 -4.468 -6.149 -8.717 237 H GLU 32 H GLU 32 -2.615 -7.495 -8.744 238 HA GLU 32 HA GLU 32 -2.770 -10.003 -10.077 239 HB2 GLU 32 HB3 GLU 32 -0.504 -7.995 -9.883 240 HB3 GLU 32 HB2 GLU 32 -0.463 -9.388 -10.962 241 HG2 GLU 32 HG3 GLU 32 -2.689 -7.325 -10.991 242 HG3 GLU 32 HG2 GLU 32 -1.271 -7.234 -12.035 243 H ASN 33 H ASN 33 -0.253 -8.841 -7.821 244 HA ASN 33 HA ASN 33 -0.152 -11.084 -6.170 245 HB2 ASN 33 HB3 ASN 33 1.176 -11.523 -8.784 246 HB3 ASN 33 HB2 ASN 33 2.192 -11.917 -7.404 247 HD21 ASN 33 HD22 ASN 33 0.990 -13.804 -9.350 248 HD22 ASN 33 HD21 ASN 33 0.018 -14.860 -8.444 249 HA PRO 34 HA PRO 34 2.697 -8.430 -3.998 250 HB2 PRO 34 HB2 PRO 34 4.376 -10.898 -3.596 251 HB3 PRO 34 HB3 PRO 34 3.848 -9.693 -2.402 252 HG2 PRO 34 HG3 PRO 34 2.660 -12.067 -2.562 253 HG3 PRO 34 HG2 PRO 34 1.726 -10.595 -2.235 254 HD2 PRO 34 HD3 PRO 34 1.864 -12.207 -4.755 255 HD3 PRO 34 HD2 PRO 34 0.530 -11.230 -4.101 256 H MET 35 H MET 35 3.550 -10.191 -6.790 257 HA MET 35 HA MET 35 6.359 -9.416 -6.931 258 HB2 MET 35 HB3 MET 35 6.241 -10.241 -9.240 259 HB3 MET 35 HB2 MET 35 5.463 -11.384 -8.148 260 HG2 MET 35 HG3 MET 35 3.257 -10.218 -8.707 261 HG3 MET 35 HG2 MET 35 4.130 -9.395 -10.000 262 HE1 MET 35 HE1 MET 35 1.882 -10.570 -10.957 263 HE2 MET 35 HE2 MET 35 2.206 -11.861 -12.122 264 HE3 MET 35 HE3 MET 35 3.099 -10.345 -12.212 265 H ASN 36 H ASN 36 3.504 -7.716 -7.248 266 HA ASN 36 HA ASN 36 4.158 -5.967 -9.439 267 HB2 ASN 36 HB3 ASN 36 2.342 -5.452 -7.073 268 HB3 ASN 36 HB2 ASN 36 2.302 -4.629 -8.635 269 HD21 ASN 36 HD22 ASN 36 2.565 -6.738 -10.439 270 HD22 ASN 36 HD21 ASN 36 1.266 -7.816 -10.275 271 H ILE 37 H ILE 37 4.894 -5.905 -5.986 272 HA ILE 37 HA ILE 37 5.613 -3.173 -5.781 273 HB ILE 37 HB ILE 37 5.411 -4.788 -3.856 274 HG12 ILE 37 HG13 ILE 37 7.328 -3.833 -2.566 275 HG13 ILE 37 HG12 ILE 37 8.013 -3.230 -4.071 276 HG21 ILE 37 HG21 ILE 37 8.232 -5.618 -4.584 277 HG22 ILE 37 HG22 ILE 37 6.817 -6.563 -5.042 278 HG23 ILE 37 HG23 ILE 37 7.187 -6.300 -3.339 279 HD11 ILE 37 HD11 ILE 37 6.420 -1.565 -4.291 280 HD12 ILE 37 HD12 ILE 37 6.474 -1.691 -2.537 281 HD13 ILE 37 HD13 ILE 37 5.178 -2.479 -3.431 282 H MET 38 H MET 38 7.392 -5.939 -7.032 283 HA MET 38 HA MET 38 9.977 -4.794 -7.196 284 HB2 MET 38 HB3 MET 38 8.568 -6.750 -9.037 285 HB3 MET 38 HB2 MET 38 10.287 -6.372 -9.142 286 HG2 MET 38 HG3 MET 38 8.973 -7.378 -6.603 287 HG3 MET 38 HG2 MET 38 9.725 -8.446 -7.788 288 HE1 MET 38 HE1 MET 38 10.438 -8.097 -4.669 289 HE2 MET 38 HE2 MET 38 12.193 -8.305 -4.750 290 HE3 MET 38 HE3 MET 38 11.136 -9.313 -5.735 291 H LYS 39 H LYS 39 7.079 -4.056 -8.929 292 HA LYS 39 HA LYS 39 8.486 -2.722 -11.155 293 HB2 LYS 39 HB3 LYS 39 5.542 -2.792 -10.416 294 HB3 LYS 39 HB2 LYS 39 6.211 -2.126 -11.906 295 HG2 LYS 39 HG3 LYS 39 7.002 -4.281 -12.620 296 HG3 LYS 39 HG2 LYS 39 6.662 -4.996 -11.045 297 HD2 LYS 39 HD3 LYS 39 4.907 -5.629 -12.625 298 HD3 LYS 39 HD2 LYS 39 4.238 -4.564 -11.391 299 HE2 LYS 39 HE3 LYS 39 4.142 -2.716 -12.878 300 HE3 LYS 39 HE2 LYS 39 5.253 -3.469 -14.024 301 HZ1 LYS 39 HZ1 LYS 39 3.352 -5.283 -14.013 302 HZ2 LYS 39 HZ2 LYS 39 3.311 -3.940 -15.048 303 HZ3 LYS 39 HZ3 LYS 39 2.404 -3.932 -13.612 304 H TYR 40 H TYR 40 6.483 -1.760 -8.339 305 HA TYR 40 HA TYR 40 6.846 1.073 -8.864 306 HB2 TYR 40 HB3 TYR 40 5.926 -0.385 -6.367 307 HB3 TYR 40 HB2 TYR 40 5.802 1.346 -6.651 308 HD1 TYR 40 HD1 TYR 40 4.366 2.234 -8.477 309 HD2 TYR 40 HD2 TYR 40 4.366 -1.919 -7.386 310 HE1 TYR 40 HE1 TYR 40 2.231 1.915 -9.698 311 HE2 TYR 40 HE2 TYR 40 2.231 -2.239 -8.608 312 HH TYR 40 HH TYR 40 1.113 -0.651 -10.802 313 H GLN 41 H GLN 41 9.071 -1.150 -8.031 314 HA GLN 41 HA GLN 41 10.344 -0.166 -5.704 315 HB2 GLN 41 HB3 GLN 41 12.314 -1.319 -6.449 316 HB3 GLN 41 HB2 GLN 41 10.934 -2.267 -6.991 317 HG2 GLN 41 HG3 GLN 41 12.195 -2.214 -8.955 318 HG3 GLN 41 HG2 GLN 41 11.181 -0.792 -9.197 319 HE21 GLN 41 HE22 GLN 41 12.249 1.211 -9.404 320 HE22 GLN 41 HE21 GLN 41 13.912 1.437 -9.156 321 H ASN 42 H ASN 42 10.094 1.195 -8.877 322 HA ASN 42 HA ASN 42 12.307 3.111 -8.473 323 HB2 ASN 42 HB3 ASN 42 11.780 2.277 -10.755 324 HB3 ASN 42 HB2 ASN 42 10.168 2.980 -10.628 325 HD21 ASN 42 HD22 ASN 42 13.384 3.638 -11.590 326 HD22 ASN 42 HD21 ASN 42 13.247 5.325 -11.725 327 H ASP 43 H ASP 43 8.894 2.852 -7.937 328 HA ASP 43 HA ASP 43 8.451 5.746 -7.688 329 HB2 ASP 43 HB3 ASP 43 6.737 3.911 -8.395 330 HB3 ASP 43 HB2 ASP 43 6.595 3.579 -6.673 331 H LYS 44 H LYS 44 10.069 6.220 -6.056 332 HA LYS 44 HA LYS 44 10.464 4.994 -3.615 333 HB2 LYS 44 HB3 LYS 44 11.759 6.940 -4.504 334 HB3 LYS 44 HB2 LYS 44 10.419 7.989 -4.043 335 HG2 LYS 44 HG3 LYS 44 10.675 7.374 -1.703 336 HG3 LYS 44 HG2 LYS 44 11.912 6.186 -2.116 337 HD2 LYS 44 HD3 LYS 44 13.373 7.975 -2.958 338 HD3 LYS 44 HD2 LYS 44 12.134 9.174 -2.586 339 HE2 LYS 44 HE3 LYS 44 12.245 8.496 -0.189 340 HE3 LYS 44 HE2 LYS 44 13.559 7.390 -0.591 341 HZ1 LYS 44 HZ1 LYS 44 13.535 10.336 -0.648 342 HZ2 LYS 44 HZ2 LYS 44 14.631 9.474 -1.613 343 HZ3 LYS 44 HZ3 LYS 44 14.660 9.289 0.075 344 H GLU 45 H GLU 45 7.725 6.952 -4.580 345 HA GLU 45 HA GLU 45 6.750 7.535 -1.939 346 HB2 GLU 45 HB3 GLU 45 5.970 8.611 -4.109 347 HB3 GLU 45 HB2 GLU 45 5.070 7.132 -4.435 348 HG2 GLU 45 HG3 GLU 45 3.535 8.659 -3.391 349 HG3 GLU 45 HG2 GLU 45 3.938 7.443 -2.180 350 H VAL 46 H VAL 46 5.825 4.979 -4.271 351 HA VAL 46 HA VAL 46 4.070 3.585 -2.517 352 HB VAL 46 HB VAL 46 5.807 2.442 -4.721 353 HG11 VAL 46 HG11 VAL 46 3.292 1.444 -3.356 354 HG12 VAL 46 HG12 VAL 46 4.876 0.669 -3.365 355 HG13 VAL 46 HG13 VAL 46 3.931 0.757 -4.849 356 HG21 VAL 46 HG21 VAL 46 3.920 2.858 -6.198 357 HG22 VAL 46 HG22 VAL 46 4.354 4.375 -5.412 358 HG23 VAL 46 HG23 VAL 46 2.953 3.462 -4.853 359 H MET 47 H MET 47 7.565 3.563 -2.833 360 HA MET 47 HA MET 47 8.070 1.140 -1.403 361 HB2 MET 47 HB3 MET 47 9.740 3.661 -1.643 362 HB3 MET 47 HB2 MET 47 10.324 2.142 -0.963 363 HG2 MET 47 HG3 MET 47 9.821 1.000 -3.101 364 HG3 MET 47 HG2 MET 47 9.266 2.529 -3.779 365 HE1 MET 47 HE1 MET 47 13.488 1.223 -2.656 366 HE2 MET 47 HE2 MET 47 12.381 0.220 -3.604 367 HE3 MET 47 HE3 MET 47 11.956 0.697 -1.963 368 H ASP 48 H ASP 48 8.007 4.515 -0.230 369 HA ASP 48 HA ASP 48 8.443 3.919 2.503 370 HB2 ASP 48 HB3 ASP 48 8.276 6.213 1.261 371 HB3 ASP 48 HB2 ASP 48 6.550 6.102 1.598 372 H VAL 49 H VAL 49 5.519 3.846 0.565 373 HA VAL 49 HA VAL 49 3.729 3.467 2.822 374 HB VAL 49 HB VAL 49 3.344 3.018 -0.148 375 HG11 VAL 49 HG11 VAL 49 1.613 1.870 1.070 376 HG12 VAL 49 HG12 VAL 49 0.924 3.377 0.470 377 HG13 VAL 49 HG13 VAL 49 1.401 3.239 2.162 378 HG21 VAL 49 HG21 VAL 49 2.402 5.277 -0.127 379 HG22 VAL 49 HG22 VAL 49 4.043 5.326 0.507 380 HG23 VAL 49 HG23 VAL 49 2.672 5.400 1.608 381 H PHE 50 H PHE 50 4.780 1.314 0.181 382 HA PHE 50 HA PHE 50 3.568 -1.012 1.317 383 HB2 PHE 50 HB3 PHE 50 5.289 -0.367 -0.974 384 HB3 PHE 50 HB2 PHE 50 5.650 -1.953 -0.299 385 HD1 PHE 50 HD1 PHE 50 2.803 0.221 -1.347 386 HD2 PHE 50 HD2 PHE 50 4.235 -3.796 -0.831 387 HE1 PHE 50 HE1 PHE 50 0.726 -0.647 -2.377 388 HE2 PHE 50 HE2 PHE 50 2.159 -4.664 -1.867 389 HZ PHE 50 HZ PHE 50 0.406 -3.094 -2.643 390 H ASN 51 H ASN 51 6.594 0.597 1.888 391 HA ASN 51 HA ASN 51 7.795 -1.680 3.306 392 HB2 ASN 51 HB3 ASN 51 8.562 1.257 3.203 393 HB3 ASN 51 HB2 ASN 51 9.505 0.002 4.004 394 HD21 ASN 51 HD22 ASN 51 7.826 -0.928 1.087 395 HD22 ASN 51 HD21 ASN 51 9.189 -0.964 0.076 396 H LYS 52 H LYS 52 5.736 1.042 4.006 397 HA LYS 52 HA LYS 52 6.130 0.880 6.914 398 HB2 LYS 52 HB3 LYS 52 5.508 3.039 6.120 399 HB3 LYS 52 HB2 LYS 52 4.220 2.385 5.110 400 HG2 LYS 52 HG3 LYS 52 2.820 1.940 6.979 401 HG3 LYS 52 HG2 LYS 52 4.156 2.080 8.120 402 HD2 LYS 52 HD3 LYS 52 2.600 4.065 8.106 403 HD3 LYS 52 HD2 LYS 52 4.286 4.468 7.792 404 HE2 LYS 52 HE3 LYS 52 2.413 3.924 5.489 405 HE3 LYS 52 HE2 LYS 52 2.444 5.511 6.253 406 HZ1 LYS 52 HZ1 LYS 52 4.434 4.218 4.593 407 HZ2 LYS 52 HZ2 LYS 52 5.048 5.041 5.943 408 HZ3 LYS 52 HZ3 LYS 52 4.096 5.869 4.805 409 H ILE 53 H ILE 53 3.711 -0.034 4.536 410 HA ILE 53 HA ILE 53 1.754 -1.203 6.184 411 HB ILE 53 HB ILE 53 2.643 -1.349 3.367 412 HG12 ILE 53 HG13 ILE 53 0.314 -1.047 2.880 413 HG13 ILE 53 HG12 ILE 53 -0.147 -1.527 4.506 414 HG21 ILE 53 HG21 ILE 53 2.712 -3.723 3.665 415 HG22 ILE 53 HG22 ILE 53 1.203 -3.344 2.839 416 HG23 ILE 53 HG23 ILE 53 1.191 -3.711 4.563 417 HD11 ILE 53 HD11 ILE 53 0.372 0.522 5.395 418 HD12 ILE 53 HD12 ILE 53 0.096 1.052 3.742 419 HD13 ILE 53 HD13 ILE 53 1.736 0.768 4.314 420 H SER 54 H SER 54 4.686 -2.659 4.798 421 HA SER 54 HA SER 54 4.181 -5.219 6.093 422 HB2 SER 54 HB3 SER 54 5.364 -5.433 4.074 423 HB3 SER 54 HB2 SER 54 6.397 -4.051 4.428 424 HG SER 54 HG SER 54 7.255 -5.373 6.179 425 H GLN 55 H GLN 55 6.242 -2.416 6.802 426 HA GLN 55 HA GLN 55 7.779 -3.714 8.851 427 HB2 GLN 55 HB3 GLN 55 7.133 -0.839 8.208 428 HB3 GLN 55 HB2 GLN 55 7.987 -1.230 9.699 429 HG2 GLN 55 HG3 GLN 55 9.801 -2.249 8.501 430 HG3 GLN 55 HG2 GLN 55 8.909 -2.207 6.981 431 HE21 GLN 55 HE22 GLN 55 11.172 -0.492 8.880 432 HE22 GLN 55 HE21 GLN 55 11.099 0.990 8.055 433 H LEU 56 H LEU 56 4.654 -2.038 8.896 434 HA LEU 56 HA LEU 56 4.429 -2.450 11.828 435 HB2 LEU 56 HB3 LEU 56 2.738 -1.007 9.775 436 HB3 LEU 56 HB2 LEU 56 2.154 -1.306 11.411 437 HG LEU 56 HG LEU 56 3.957 -0.045 12.384 438 HD11 LEU 56 HD11 LEU 56 5.071 0.000 9.570 439 HD12 LEU 56 HD12 LEU 56 5.847 -0.585 11.040 440 HD13 LEU 56 HD13 LEU 56 5.600 1.141 10.805 441 HD21 LEU 56 HD21 LEU 56 3.559 2.186 11.345 442 HD22 LEU 56 HD22 LEU 56 2.065 1.277 11.574 443 HD23 LEU 56 HD23 LEU 56 2.795 1.385 9.973 444 H PHE 57 H PHE 57 3.041 -3.733 8.796 445 HA PHE 57 HA PHE 57 2.110 -6.075 10.321 446 HB2 PHE 57 HB3 PHE 57 -0.217 -5.920 9.306 447 HB3 PHE 57 HB2 PHE 57 0.136 -4.806 10.618 448 HD1 PHE 57 HD2 PHE 57 0.673 -2.413 10.109 449 HD2 PHE 57 HD1 PHE 57 -0.747 -5.100 7.079 450 HE1 PHE 57 HE2 PHE 57 -0.007 -0.482 8.724 451 HE2 PHE 57 HE1 PHE 57 -1.437 -3.166 5.697 452 HZ PHE 57 HZ PHE 57 -1.077 -0.860 6.528 453 HA PRO 58 HA PRO 58 3.243 -7.304 6.045 454 HB2 PRO 58 HB2 PRO 58 5.283 -8.938 6.586 455 HB3 PRO 58 HB3 PRO 58 5.485 -7.184 6.774 456 HG2 PRO 58 HG3 PRO 58 5.046 -9.265 8.872 457 HG3 PRO 58 HG2 PRO 58 6.096 -7.836 8.907 458 HD2 PRO 58 HD3 PRO 58 3.485 -7.994 10.011 459 HD3 PRO 58 HD2 PRO 58 4.400 -6.497 9.722 460 H GLY 59 H GLY 59 0.942 -8.328 7.196 461 HA2 GLY 59 HA3 GLY 59 0.891 -11.023 6.183 462 HA3 GLY 59 HA2 GLY 59 0.890 -11.035 7.947 463 H MET 60 H MET 60 -0.665 -8.834 5.606 464 HA MET 60 HA MET 60 -3.343 -9.642 6.682 465 HB2 MET 60 HB3 MET 60 -2.301 -6.815 6.308 466 HB3 MET 60 HB2 MET 60 -3.988 -7.218 6.626 467 HG2 MET 60 HG3 MET 60 -1.712 -8.050 8.446 468 HG3 MET 60 HG2 MET 60 -2.652 -6.579 8.678 469 HE1 MET 60 HE1 MET 60 -2.449 -9.194 10.855 470 HE2 MET 60 HE2 MET 60 -4.018 -8.700 11.507 471 HE3 MET 60 HE3 MET 60 -2.861 -7.485 10.968 472 H THR 61 H THR 61 -2.527 -7.018 4.451 473 HA THR 61 HA THR 61 -4.415 -7.954 2.488 474 HB THR 61 HB THR 61 -3.374 -6.199 1.032 475 HG1 THR 61 HG1 THR 61 -1.802 -4.887 2.327 476 HG21 THR 61 HG21 THR 61 -4.021 -4.308 2.448 477 HG22 THR 61 HG22 THR 61 -3.904 -5.324 3.885 478 HG23 THR 61 HG23 THR 61 -5.148 -5.645 2.677 479 H GLY 62 H GLY 62 -0.949 -8.396 2.940 480 HA2 GLY 62 HA3 GLY 62 -0.412 -9.470 0.322 481 HA3 GLY 62 HA2 GLY 62 0.600 -9.701 1.749 Start of MODEL 4 1 H2 PRO 1 H2 PRO 1 -15.690 -0.833 0.963 2 H3 PRO 1 H3 PRO 1 -15.604 -2.190 -0.062 3 HA PRO 1 HA PRO 1 -13.900 -2.912 1.144 4 HB2 PRO 1 HB2 PRO 1 -11.819 -1.113 0.826 5 HB3 PRO 1 HB3 PRO 1 -12.316 -2.269 -0.427 6 HG2 PRO 1 HG3 PRO 1 -12.890 0.644 -0.215 7 HG3 PRO 1 HG2 PRO 1 -12.665 -0.361 -1.660 8 HD2 PRO 1 HD3 PRO 1 -15.140 0.464 -0.727 9 HD3 PRO 1 HD2 PRO 1 -14.888 -0.961 -1.743 10 H GLU 2 H GLU 2 -15.764 -0.818 2.403 11 HA GLU 2 HA GLU 2 -14.350 0.820 4.225 12 HB2 GLU 2 HB3 GLU 2 -16.954 -0.631 4.781 13 HB3 GLU 2 HB2 GLU 2 -16.384 0.852 5.547 14 HG2 GLU 2 HG3 GLU 2 -16.428 1.988 3.340 15 HG3 GLU 2 HG2 GLU 2 -17.061 0.512 2.610 16 H GLU 3 H GLU 3 -14.889 -2.628 4.223 17 HA GLU 3 HA GLU 3 -14.407 -3.171 6.979 18 HB2 GLU 3 HB3 GLU 3 -15.271 -4.861 5.397 19 HB3 GLU 3 HB2 GLU 3 -13.720 -4.867 4.558 20 HG2 GLU 3 HG3 GLU 3 -12.583 -5.740 6.496 21 HG3 GLU 3 HG2 GLU 3 -14.011 -5.512 7.505 22 H VAL 4 H VAL 4 -12.104 -3.292 4.229 23 HA VAL 4 HA VAL 4 -9.811 -3.647 5.940 24 HB VAL 4 HB VAL 4 -9.970 -2.602 3.097 25 HG11 VAL 4 HG11 VAL 4 -7.668 -3.633 4.783 26 HG12 VAL 4 HG12 VAL 4 -7.816 -2.041 4.038 27 HG13 VAL 4 HG13 VAL 4 -7.588 -3.468 3.029 28 HG21 VAL 4 HG21 VAL 4 -10.960 -4.828 3.353 29 HG22 VAL 4 HG22 VAL 4 -9.538 -5.378 4.240 30 HG23 VAL 4 HG23 VAL 4 -9.404 -4.960 2.532 31 H ILE 5 H ILE 5 -11.069 -0.772 4.215 32 HA ILE 5 HA ILE 5 -9.166 1.101 5.028 33 HB ILE 5 HB ILE 5 -12.157 1.527 4.828 34 HG12 ILE 5 HG13 ILE 5 -9.992 2.030 2.758 35 HG13 ILE 5 HG12 ILE 5 -10.970 0.563 2.795 36 HG21 ILE 5 HG21 ILE 5 -11.175 3.395 5.986 37 HG22 ILE 5 HG22 ILE 5 -11.405 3.906 4.316 38 HG23 ILE 5 HG23 ILE 5 -9.802 3.437 4.880 39 HD11 ILE 5 HD11 ILE 5 -13.014 1.872 2.524 40 HD12 ILE 5 HD12 ILE 5 -11.884 2.276 1.232 41 HD13 ILE 5 HD13 ILE 5 -12.092 3.374 2.596 42 H SER 6 H SER 6 -11.586 -0.506 6.929 43 HA SER 6 HA SER 6 -11.589 1.352 9.141 44 HB2 SER 6 HB3 SER 6 -13.295 -0.492 8.736 45 HB3 SER 6 HB2 SER 6 -12.078 -1.640 9.284 46 HG SER 6 HG SER 6 -13.577 -0.787 10.917 47 H LYS 7 H LYS 7 -9.639 -1.480 8.266 48 HA LYS 7 HA LYS 7 -8.131 -1.429 10.761 49 HB2 LYS 7 HB3 LYS 7 -7.076 -3.347 9.999 50 HB3 LYS 7 HB2 LYS 7 -8.552 -3.406 9.050 51 HG2 LYS 7 HG3 LYS 7 -7.048 -3.741 7.328 52 HG3 LYS 7 HG2 LYS 7 -7.032 -1.989 7.316 53 HD2 LYS 7 HD3 LYS 7 -4.739 -2.442 7.394 54 HD3 LYS 7 HD2 LYS 7 -5.092 -2.293 9.112 55 HE2 LYS 7 HE3 LYS 7 -3.801 -4.297 8.859 56 HE3 LYS 7 HE2 LYS 7 -5.462 -4.821 9.125 57 HZ1 LYS 7 HZ1 LYS 7 -4.201 -5.894 7.227 58 HZ2 LYS 7 HZ2 LYS 7 -4.370 -4.419 6.408 59 HZ3 LYS 7 HZ3 LYS 7 -5.750 -5.294 6.873 60 H ILE 8 H ILE 8 -7.754 0.042 7.593 61 HA ILE 8 HA ILE 8 -4.993 0.763 7.807 62 HB ILE 8 HB ILE 8 -7.147 2.396 6.433 63 HG12 ILE 8 HG13 ILE 8 -7.274 -0.055 5.812 64 HG13 ILE 8 HG12 ILE 8 -6.929 1.023 4.471 65 HG21 ILE 8 HG21 ILE 8 -4.179 2.047 5.952 66 HG22 ILE 8 HG22 ILE 8 -5.012 3.506 6.484 67 HG23 ILE 8 HG23 ILE 8 -5.268 2.892 4.852 68 HD11 ILE 8 HD11 ILE 8 -4.821 -0.541 5.982 69 HD12 ILE 8 HD12 ILE 8 -4.575 0.431 4.534 70 HD13 ILE 8 HD13 ILE 8 -5.538 -1.041 4.457 71 H MET 9 H MET 9 -7.756 1.902 9.493 72 HA MET 9 HA MET 9 -6.987 4.594 10.011 73 HB2 MET 9 HB3 MET 9 -8.578 4.560 11.787 74 HB3 MET 9 HB2 MET 9 -9.212 3.444 10.580 75 HG2 MET 9 HG3 MET 9 -7.958 1.599 11.915 76 HG3 MET 9 HG2 MET 9 -7.864 2.796 13.206 77 HE1 MET 9 HE1 MET 9 -8.914 0.622 14.250 78 HE2 MET 9 HE2 MET 9 -10.614 0.746 14.720 79 HE3 MET 9 HE3 MET 9 -9.490 2.043 15.119 80 H GLU 10 H GLU 10 -5.374 1.764 10.813 81 HA GLU 10 HA GLU 10 -4.393 2.432 13.435 82 HB2 GLU 10 HB3 GLU 10 -2.706 0.713 13.022 83 HB3 GLU 10 HB2 GLU 10 -4.275 0.151 12.451 84 HG2 GLU 10 HG3 GLU 10 -3.645 0.899 10.141 85 HG3 GLU 10 HG2 GLU 10 -2.035 1.290 10.747 86 H ASN 11 H ASN 11 -3.779 3.762 10.369 87 HA ASN 11 HA ASN 11 -1.680 5.500 11.474 88 HB2 ASN 11 HB3 ASN 11 -1.154 3.545 9.219 89 HB3 ASN 11 HB2 ASN 11 -0.132 4.946 9.542 90 HD21 ASN 11 HD22 ASN 11 0.033 1.772 9.989 91 HD22 ASN 11 HD21 ASN 11 0.738 1.682 11.531 92 HA PRO 12 HA PRO 12 -4.739 7.643 8.687 93 HB2 PRO 12 HB2 PRO 12 -3.128 9.872 9.927 94 HB3 PRO 12 HB3 PRO 12 -4.874 9.800 9.601 95 HG2 PRO 12 HG3 PRO 12 -3.982 9.405 12.054 96 HG3 PRO 12 HG2 PRO 12 -5.281 8.383 11.406 97 HD2 PRO 12 HD3 PRO 12 -2.385 7.707 11.822 98 HD3 PRO 12 HD2 PRO 12 -3.816 6.659 11.970 99 H ASP 13 H ASP 13 -1.332 7.426 8.764 100 HA ASP 13 HA ASP 13 -0.706 9.204 6.567 101 HB2 ASP 13 HB3 ASP 13 0.962 8.380 8.255 102 HB3 ASP 13 HB2 ASP 13 0.839 6.777 7.531 103 H VAL 14 H VAL 14 -1.314 5.702 6.838 104 HA VAL 14 HA VAL 14 -0.983 5.231 3.977 105 HB VAL 14 HB VAL 14 -2.321 3.558 6.133 106 HG11 VAL 14 HG11 VAL 14 -3.081 2.834 3.963 107 HG12 VAL 14 HG12 VAL 14 -1.860 1.686 4.498 108 HG13 VAL 14 HG13 VAL 14 -1.451 2.915 3.301 109 HG21 VAL 14 HG21 VAL 14 -0.234 2.416 6.366 110 HG22 VAL 14 HG22 VAL 14 0.171 4.131 6.397 111 HG23 VAL 14 HG23 VAL 14 0.435 3.189 4.929 112 H ALA 15 H ALA 15 -3.668 5.778 6.190 113 HA ALA 15 HA ALA 15 -5.793 5.296 4.364 114 HB1 ALA 15 HB1 ALA 15 -5.963 5.667 6.861 115 HB2 ALA 15 HB2 ALA 15 -7.150 6.551 5.903 116 HB3 ALA 15 HB3 ALA 15 -5.739 7.388 6.550 117 H MET 16 H MET 16 -3.826 8.171 5.008 118 HA MET 16 HA MET 16 -5.302 9.864 3.140 119 HB2 MET 16 HB3 MET 16 -3.981 10.686 5.132 120 HB3 MET 16 HB2 MET 16 -2.514 10.275 4.245 121 HG2 MET 16 HG3 MET 16 -3.214 11.783 2.409 122 HG3 MET 16 HG2 MET 16 -4.660 12.214 3.323 123 HE1 MET 16 HE1 MET 16 -1.910 15.175 3.250 124 HE2 MET 16 HE2 MET 16 -3.341 14.526 2.437 125 HE3 MET 16 HE3 MET 16 -1.763 13.788 2.174 126 H ALA 17 H ALA 17 -2.372 7.911 3.112 127 HA ALA 17 HA ALA 17 -1.436 8.798 0.530 128 HB1 ALA 17 HB1 ALA 17 -0.094 7.540 2.307 129 HB2 ALA 17 HB2 ALA 17 0.100 6.961 0.653 130 HB3 ALA 17 HB3 ALA 17 -0.934 6.083 1.779 131 H PHE 18 H PHE 18 -3.695 6.384 1.661 132 HA PHE 18 HA PHE 18 -3.993 4.789 -0.647 133 HB2 PHE 18 HB3 PHE 18 -5.630 5.529 1.703 134 HB3 PHE 18 HB2 PHE 18 -6.590 5.060 0.308 135 HD1 PHE 18 HD2 PHE 18 -3.218 3.817 1.371 136 HD2 PHE 18 HD1 PHE 18 -7.389 2.895 0.874 137 HE1 PHE 18 HE2 PHE 18 -2.759 1.440 1.892 138 HE2 PHE 18 HE1 PHE 18 -6.925 0.521 1.401 139 HZ PHE 18 HZ PHE 18 -4.610 -0.210 1.906 140 H GLN 19 H GLN 19 -4.908 8.131 -0.130 141 HA GLN 19 HA GLN 19 -6.705 8.177 -2.474 142 HB2 GLN 19 HB3 GLN 19 -5.665 10.361 -0.644 143 HB3 GLN 19 HB2 GLN 19 -6.751 10.659 -2.002 144 HG2 GLN 19 HG3 GLN 19 -8.100 10.444 -0.008 145 HG3 GLN 19 HG2 GLN 19 -8.356 9.002 -0.990 146 HE21 GLN 19 HE22 GLN 19 -8.933 7.801 1.013 147 HE22 GLN 19 HE21 GLN 19 -7.711 7.291 2.075 148 H ASN 20 H ASN 20 -3.744 7.502 -2.704 149 HA ASN 20 HA ASN 20 -2.927 9.689 -4.581 150 HB2 ASN 20 HB3 ASN 20 -1.340 7.601 -3.061 151 HB3 ASN 20 HB2 ASN 20 -0.642 8.524 -4.387 152 HD21 ASN 20 HD22 ASN 20 -3.003 9.783 -2.015 153 HD22 ASN 20 HD21 ASN 20 -1.948 10.920 -1.327 154 HA PRO 21 HA PRO 21 -3.871 6.747 -7.766 155 HB2 PRO 21 HB2 PRO 21 -2.330 7.678 -9.842 156 HB3 PRO 21 HB3 PRO 21 -3.796 8.511 -9.284 157 HG2 PRO 21 HG3 PRO 21 -0.933 9.095 -8.628 158 HG3 PRO 21 HG2 PRO 21 -2.239 10.220 -9.051 159 HD2 PRO 21 HD3 PRO 21 -1.477 9.809 -6.465 160 HD3 PRO 21 HD2 PRO 21 -3.165 10.164 -6.902 161 H ARG 22 H ARG 22 -0.403 7.479 -7.389 162 HA ARG 22 HA ARG 22 0.598 5.094 -8.581 163 HB2 ARG 22 HB3 ARG 22 1.770 6.722 -6.301 164 HB3 ARG 22 HB2 ARG 22 2.656 5.568 -7.297 165 HG2 ARG 22 HG3 ARG 22 2.455 6.923 -9.247 166 HG3 ARG 22 HG2 ARG 22 1.190 7.918 -8.527 167 HD2 ARG 22 HD3 ARG 22 4.018 7.803 -7.449 168 HD3 ARG 22 HD2 ARG 22 3.470 9.011 -8.608 169 HE ARG 22 HE ARG 22 1.708 8.929 -6.329 170 HH11 ARG 22 HH22 ARG 22 4.816 9.946 -7.436 171 HH12 ARG 22 HH21 ARG 22 4.930 11.260 -6.313 172 HH21 ARG 22 HH11 ARG 22 1.845 10.639 -4.859 173 HH22 ARG 22 HH12 ARG 22 3.250 11.652 -4.856 174 H VAL 23 H VAL 23 -0.565 5.814 -5.335 175 HA VAL 23 HA VAL 23 0.217 3.253 -4.196 176 HB VAL 23 HB VAL 23 -1.813 5.298 -3.246 177 HG11 VAL 23 HG11 VAL 23 -2.247 3.195 -2.156 178 HG12 VAL 23 HG12 VAL 23 -1.352 4.192 -1.011 179 HG13 VAL 23 HG13 VAL 23 -0.526 2.910 -1.897 180 HG21 VAL 23 HG21 VAL 23 0.009 6.075 -1.788 181 HG22 VAL 23 HG22 VAL 23 0.508 6.167 -3.478 182 HG23 VAL 23 HG23 VAL 23 1.082 4.848 -2.462 183 H GLN 24 H GLN 24 -2.934 4.663 -5.167 184 HA GLN 24 HA GLN 24 -4.515 2.357 -4.759 185 HB2 GLN 24 HB3 GLN 24 -5.396 4.626 -5.370 186 HB3 GLN 24 HB2 GLN 24 -4.817 4.365 -7.016 187 HG2 GLN 24 HG3 GLN 24 -6.273 2.440 -7.284 188 HG3 GLN 24 HG2 GLN 24 -6.766 2.531 -5.592 189 HE21 GLN 24 HE22 GLN 24 -8.913 2.663 -7.163 190 HE22 GLN 24 HE21 GLN 24 -9.467 4.250 -7.397 191 H ALA 25 H ALA 25 -2.367 3.245 -7.390 192 HA ALA 25 HA ALA 25 -3.124 1.074 -9.156 193 HB1 ALA 25 HB1 ALA 25 -0.583 2.730 -8.998 194 HB2 ALA 25 HB2 ALA 25 -1.989 3.094 -9.997 195 HB3 ALA 25 HB3 ALA 25 -1.014 1.664 -10.334 196 H ALA 26 H ALA 26 -0.816 1.491 -6.534 197 HA ALA 26 HA ALA 26 0.672 -0.928 -7.026 198 HB1 ALA 26 HB1 ALA 26 0.225 0.464 -4.368 199 HB2 ALA 26 HB2 ALA 26 1.421 0.979 -5.555 200 HB3 ALA 26 HB3 ALA 26 1.561 -0.606 -4.795 201 H LEU 27 H LEU 27 -2.096 -0.156 -4.905 202 HA LEU 27 HA LEU 27 -2.374 -2.876 -3.935 203 HB2 LEU 27 HB3 LEU 27 -4.388 -0.609 -4.014 204 HB3 LEU 27 HB2 LEU 27 -4.562 -2.090 -3.077 205 HG LEU 27 HG LEU 27 -2.153 -0.283 -2.726 206 HD11 LEU 27 HD11 LEU 27 -3.364 0.715 -0.784 207 HD12 LEU 27 HD12 LEU 27 -4.830 -0.110 -1.314 208 HD13 LEU 27 HD13 LEU 27 -4.097 1.127 -2.334 209 HD21 LEU 27 HD21 LEU 27 -2.239 -1.333 -0.417 210 HD22 LEU 27 HD22 LEU 27 -1.908 -2.473 -1.716 211 HD23 LEU 27 HD23 LEU 27 -3.519 -2.388 -1.009 212 H MET 28 H MET 28 -4.062 -0.945 -6.418 213 HA MET 28 HA MET 28 -5.900 -2.953 -7.229 214 HB2 MET 28 HB3 MET 28 -5.873 -0.520 -7.974 215 HB3 MET 28 HB2 MET 28 -4.559 -0.943 -9.070 216 HG2 MET 28 HG3 MET 28 -6.589 -1.078 -10.348 217 HG3 MET 28 HG2 MET 28 -6.092 -2.739 -10.030 218 HE1 MET 28 HE1 MET 28 -8.308 -3.374 -10.792 219 HE2 MET 28 HE2 MET 28 -9.220 -1.859 -10.821 220 HE3 MET 28 HE3 MET 28 -9.825 -3.238 -9.908 221 H GLU 29 H GLU 29 -2.555 -2.292 -8.221 222 HA GLU 29 HA GLU 29 -2.477 -4.469 -10.151 223 HB2 GLU 29 HB3 GLU 29 -0.962 -2.438 -10.184 224 HB3 GLU 29 HB2 GLU 29 -0.142 -3.106 -8.776 225 HG2 GLU 29 HG3 GLU 29 1.125 -3.785 -10.706 226 HG3 GLU 29 HG2 GLU 29 0.266 -5.215 -10.138 227 H CYS 30 H CYS 30 -1.863 -4.110 -6.704 228 HA CYS 30 HA CYS 30 -0.299 -6.432 -6.249 229 HB2 CYS 30 HB3 CYS 30 -0.920 -4.695 -4.525 230 HB3 CYS 30 HB2 CYS 30 -2.516 -5.438 -4.436 231 HG CYS 30 HG CYS 30 0.007 -6.543 -3.158 232 H SER 31 H SER 31 -3.816 -6.100 -6.613 233 HA SER 31 HA SER 31 -4.638 -8.655 -5.899 234 HB2 SER 31 HB3 SER 31 -5.674 -7.037 -8.237 235 HB3 SER 31 HB2 SER 31 -6.538 -8.328 -7.406 236 HG SER 31 HG SER 31 -7.227 -6.508 -6.430 237 H GLU 32 H GLU 32 -2.871 -7.644 -8.745 238 HA GLU 32 HA GLU 32 -3.368 -10.029 -10.308 239 HB2 GLU 32 HB3 GLU 32 -1.054 -8.066 -10.421 240 HB3 GLU 32 HB2 GLU 32 -1.439 -9.263 -11.656 241 HG2 GLU 32 HG3 GLU 32 -3.365 -7.100 -10.755 242 HG3 GLU 32 HG2 GLU 32 -2.313 -6.950 -12.162 243 H ASN 33 H ASN 33 -0.489 -8.960 -8.466 244 HA ASN 33 HA ASN 33 -0.005 -11.399 -7.153 245 HB2 ASN 33 HB3 ASN 33 2.053 -12.052 -8.735 246 HB3 ASN 33 HB2 ASN 33 0.436 -12.649 -9.089 247 HD21 ASN 33 HD22 ASN 33 0.845 -12.721 -11.409 248 HD22 ASN 33 HD21 ASN 33 0.980 -11.302 -12.330 249 HA PRO 34 HA PRO 34 3.069 -8.950 -5.065 250 HB2 PRO 34 HB2 PRO 34 5.021 -11.161 -5.692 251 HB3 PRO 34 HB3 PRO 34 4.734 -10.323 -4.151 252 HG2 PRO 34 HG3 PRO 34 3.739 -12.744 -4.567 253 HG3 PRO 34 HG2 PRO 34 2.788 -11.509 -3.720 254 HD2 PRO 34 HD3 PRO 34 2.447 -12.558 -6.502 255 HD3 PRO 34 HD2 PRO 34 1.229 -11.926 -5.373 256 H MET 35 H MET 35 3.445 -9.898 -8.330 257 HA MET 35 HA MET 35 5.999 -8.700 -8.901 258 HB2 MET 35 HB3 MET 35 3.586 -9.372 -10.604 259 HB3 MET 35 HB2 MET 35 5.011 -8.594 -11.291 260 HG2 MET 35 HG3 MET 35 5.155 -11.032 -11.565 261 HG3 MET 35 HG2 MET 35 6.416 -10.463 -10.472 262 HE1 MET 35 HE1 MET 35 5.950 -13.609 -8.535 263 HE2 MET 35 HE2 MET 35 7.030 -12.324 -9.091 264 HE3 MET 35 HE3 MET 35 6.188 -13.339 -10.259 265 H ASN 36 H ASN 36 3.094 -7.357 -7.905 266 HA ASN 36 HA ASN 36 2.876 -4.985 -9.430 267 HB2 ASN 36 HB3 ASN 36 1.960 -4.013 -7.203 268 HB3 ASN 36 HB2 ASN 36 1.124 -5.410 -7.880 269 HD21 ASN 36 HD22 ASN 36 3.149 -4.313 -5.224 270 HD22 ASN 36 HD21 ASN 36 3.092 -5.759 -4.336 271 H ILE 37 H ILE 37 4.611 -5.474 -6.347 272 HA ILE 37 HA ILE 37 5.845 -2.894 -6.387 273 HB ILE 37 HB ILE 37 5.526 -4.561 -4.414 274 HG12 ILE 37 HG13 ILE 37 7.601 -3.674 -3.273 275 HG13 ILE 37 HG12 ILE 37 8.115 -3.029 -4.829 276 HG21 ILE 37 HG21 ILE 37 7.259 -6.134 -3.978 277 HG22 ILE 37 HG22 ILE 37 8.273 -5.499 -5.273 278 HG23 ILE 37 HG23 ILE 37 6.802 -6.393 -5.661 279 HD11 ILE 37 HD11 ILE 37 6.584 -1.324 -4.778 280 HD12 ILE 37 HD12 ILE 37 6.660 -1.599 -3.042 281 HD13 ILE 37 HD13 ILE 37 5.347 -2.298 -3.984 282 H MET 38 H MET 38 6.615 -5.879 -7.976 283 HA MET 38 HA MET 38 9.417 -5.302 -8.454 284 HB2 MET 38 HB3 MET 38 7.486 -7.108 -9.946 285 HB3 MET 38 HB2 MET 38 9.235 -7.092 -10.167 286 HG2 MET 38 HG3 MET 38 7.904 -7.606 -7.494 287 HG3 MET 38 HG2 MET 38 8.389 -8.891 -8.601 288 HE1 MET 38 HE1 MET 38 10.366 -10.173 -7.467 289 HE2 MET 38 HE2 MET 38 9.371 -9.453 -6.193 290 HE3 MET 38 HE3 MET 38 11.129 -9.394 -6.083 291 H LYS 39 H LYS 39 7.324 -3.211 -9.119 292 HA LYS 39 HA LYS 39 8.394 -2.524 -11.801 293 HB2 LYS 39 HB3 LYS 39 5.432 -2.584 -11.133 294 HB3 LYS 39 HB2 LYS 39 6.131 -1.954 -12.626 295 HG2 LYS 39 HG3 LYS 39 7.169 -4.254 -12.975 296 HG3 LYS 39 HG2 LYS 39 6.170 -4.819 -11.637 297 HD2 LYS 39 HD3 LYS 39 5.115 -3.501 -14.161 298 HD3 LYS 39 HD2 LYS 39 5.099 -5.234 -13.845 299 HE2 LYS 39 HE3 LYS 39 3.799 -4.619 -11.674 300 HE3 LYS 39 HE2 LYS 39 3.525 -3.061 -12.457 301 HZ1 LYS 39 HZ1 LYS 39 2.197 -3.974 -14.024 302 HZ2 LYS 39 HZ2 LYS 39 1.911 -5.102 -12.791 303 HZ3 LYS 39 HZ3 LYS 39 3.013 -5.463 -14.032 304 H TYR 40 H TYR 40 6.501 -1.575 -8.941 305 HA TYR 40 HA TYR 40 6.786 1.281 -9.526 306 HB2 TYR 40 HB3 TYR 40 5.886 -0.099 -6.978 307 HB3 TYR 40 HB2 TYR 40 5.652 1.592 -7.397 308 HD1 TYR 40 HD1 TYR 40 4.523 2.018 -9.752 309 HD2 TYR 40 HD2 TYR 40 4.102 -1.580 -7.442 310 HE1 TYR 40 HE1 TYR 40 2.437 1.482 -10.973 311 HE2 TYR 40 HE2 TYR 40 2.018 -2.116 -8.665 312 HH TYR 40 HH TYR 40 1.081 -0.500 -11.512 313 H GLN 41 H GLN 41 8.967 -0.968 -8.593 314 HA GLN 41 HA GLN 41 10.236 -0.021 -6.280 315 HB2 GLN 41 HB3 GLN 41 12.394 -0.833 -7.397 316 HB3 GLN 41 HB2 GLN 41 11.097 -2.015 -7.262 317 HG2 GLN 41 HG3 GLN 41 11.981 -2.194 -9.490 318 HG3 GLN 41 HG2 GLN 41 10.416 -1.403 -9.629 319 HE21 GLN 41 HE22 GLN 41 13.501 0.085 -8.557 320 HE22 GLN 41 HE21 GLN 41 13.578 1.209 -9.826 321 H ASN 42 H ASN 42 10.013 1.457 -9.410 322 HA ASN 42 HA ASN 42 12.172 3.397 -8.876 323 HB2 ASN 42 HB3 ASN 42 11.356 4.423 -11.025 324 HB3 ASN 42 HB2 ASN 42 11.825 2.731 -11.189 325 HD21 ASN 42 HD22 ASN 42 9.689 4.511 -12.611 326 HD22 ASN 42 HD21 ASN 42 8.286 3.558 -12.545 327 H ASP 43 H ASP 43 8.731 3.079 -8.450 328 HA ASP 43 HA ASP 43 8.252 5.953 -8.120 329 HB2 ASP 43 HB3 ASP 43 6.566 4.096 -8.855 330 HB3 ASP 43 HB2 ASP 43 6.422 3.757 -7.134 331 H LYS 44 H LYS 44 9.798 6.488 -6.469 332 HA LYS 44 HA LYS 44 10.268 5.228 -4.059 333 HB2 LYS 44 HB3 LYS 44 11.390 7.314 -4.973 334 HB3 LYS 44 HB2 LYS 44 10.030 8.234 -4.330 335 HG2 LYS 44 HG3 LYS 44 10.541 7.130 -2.068 336 HG3 LYS 44 HG2 LYS 44 12.052 6.582 -2.788 337 HD2 LYS 44 HD3 LYS 44 11.134 9.460 -2.490 338 HD3 LYS 44 HD2 LYS 44 12.433 8.677 -1.592 339 HE2 LYS 44 HE3 LYS 44 12.366 9.427 -4.520 340 HE3 LYS 44 HE2 LYS 44 13.562 9.867 -3.302 341 HZ1 LYS 44 HZ1 LYS 44 14.670 8.187 -4.304 342 HZ2 LYS 44 HZ2 LYS 44 13.262 7.382 -4.801 343 HZ3 LYS 44 HZ3 LYS 44 13.789 7.253 -3.191 344 H GLU 45 H GLU 45 7.430 7.080 -4.968 345 HA GLU 45 HA GLU 45 6.424 7.518 -2.314 346 HB2 GLU 45 HB3 GLU 45 5.595 8.625 -4.452 347 HB3 GLU 45 HB2 GLU 45 4.760 7.117 -4.819 348 HG2 GLU 45 HG3 GLU 45 3.162 8.542 -3.726 349 HG3 GLU 45 HG2 GLU 45 3.625 7.313 -2.552 350 H VAL 46 H VAL 46 5.620 4.992 -4.723 351 HA VAL 46 HA VAL 46 3.938 3.475 -2.994 352 HB VAL 46 HB VAL 46 5.657 2.467 -5.275 353 HG11 VAL 46 HG11 VAL 46 4.746 0.638 -3.973 354 HG12 VAL 46 HG12 VAL 46 3.805 0.771 -5.457 355 HG13 VAL 46 HG13 VAL 46 3.154 1.396 -3.941 356 HG21 VAL 46 HG21 VAL 46 4.218 4.396 -5.913 357 HG22 VAL 46 HG22 VAL 46 2.812 3.524 -5.305 358 HG23 VAL 46 HG23 VAL 46 3.704 2.902 -6.694 359 H MET 47 H MET 47 7.435 3.542 -3.409 360 HA MET 47 HA MET 47 8.014 1.074 -2.087 361 HB2 MET 47 HB3 MET 47 9.642 3.628 -2.257 362 HB3 MET 47 HB2 MET 47 10.263 2.085 -1.670 363 HG2 MET 47 HG3 MET 47 9.822 1.035 -3.824 364 HG3 MET 47 HG2 MET 47 9.054 2.506 -4.417 365 HE1 MET 47 HE1 MET 47 12.015 0.851 -2.942 366 HE2 MET 47 HE2 MET 47 12.572 2.368 -2.223 367 HE3 MET 47 HE3 MET 47 13.447 1.656 -3.575 368 H ASP 48 H ASP 48 7.914 4.395 -0.783 369 HA ASP 48 HA ASP 48 8.428 3.666 1.919 370 HB2 ASP 48 HB3 ASP 48 8.299 6.013 0.756 371 HB3 ASP 48 HB2 ASP 48 6.586 5.944 1.162 372 H VAL 49 H VAL 49 5.482 3.725 0.029 373 HA VAL 49 HA VAL 49 3.711 3.349 2.301 374 HB VAL 49 HB VAL 49 3.288 3.041 -0.682 375 HG11 VAL 49 HG11 VAL 49 0.871 3.411 -0.018 376 HG12 VAL 49 HG12 VAL 49 1.363 3.139 1.653 377 HG13 VAL 49 HG13 VAL 49 1.540 1.852 0.459 378 HG21 VAL 49 HG21 VAL 49 4.029 5.313 0.224 379 HG22 VAL 49 HG22 VAL 49 2.528 5.341 1.145 380 HG23 VAL 49 HG23 VAL 49 2.484 5.307 -0.616 381 H PHE 50 H PHE 50 4.656 1.236 -0.415 382 HA PHE 50 HA PHE 50 3.392 -1.079 0.717 383 HB2 PHE 50 HB3 PHE 50 5.022 -0.446 -1.644 384 HB3 PHE 50 HB2 PHE 50 5.358 -2.054 -1.012 385 HD1 PHE 50 HD2 PHE 50 2.326 0.120 -1.305 386 HD2 PHE 50 HD1 PHE 50 4.068 -3.728 -2.088 387 HE1 PHE 50 HE2 PHE 50 0.172 -0.657 -2.242 388 HE2 PHE 50 HE1 PHE 50 1.910 -4.508 -3.022 389 HZ PHE 50 HZ PHE 50 -0.036 -2.975 -3.108 390 H ASN 51 H ASN 51 6.492 0.421 1.168 391 HA ASN 51 HA ASN 51 7.687 -1.931 2.461 392 HB2 ASN 51 HB3 ASN 51 9.092 -0.202 1.330 393 HB3 ASN 51 HB2 ASN 51 8.574 0.972 2.542 394 HD21 ASN 51 HD22 ASN 51 10.107 -2.289 2.339 395 HD22 ASN 51 HD21 ASN 51 11.095 -2.068 3.701 396 H LYS 52 H LYS 52 5.764 0.845 3.345 397 HA LYS 52 HA LYS 52 6.292 0.542 6.224 398 HB2 LYS 52 HB3 LYS 52 5.762 2.762 5.423 399 HB3 LYS 52 HB2 LYS 52 4.282 2.189 4.655 400 HG2 LYS 52 HG3 LYS 52 3.179 1.877 6.718 401 HG3 LYS 52 HG2 LYS 52 4.688 1.826 7.625 402 HD2 LYS 52 HD3 LYS 52 3.457 3.962 7.970 403 HD3 LYS 52 HD2 LYS 52 5.047 4.214 7.252 404 HE2 LYS 52 HE3 LYS 52 2.580 3.946 5.528 405 HE3 LYS 52 HE2 LYS 52 3.058 5.499 6.209 406 HZ1 LYS 52 HZ1 LYS 52 4.318 5.643 4.389 407 HZ2 LYS 52 HZ2 LYS 52 4.254 3.979 4.071 408 HZ3 LYS 52 HZ3 LYS 52 5.373 4.584 5.198 409 H ILE 53 H ILE 53 3.803 -0.223 3.888 410 HA ILE 53 HA ILE 53 1.839 -1.293 5.623 411 HB ILE 53 HB ILE 53 2.473 -1.276 2.757 412 HG12 ILE 53 HG13 ILE 53 0.073 -0.995 2.529 413 HG13 ILE 53 HG12 ILE 53 -0.167 -1.474 4.206 414 HG21 ILE 53 HG21 ILE 53 0.983 -3.204 2.178 415 HG22 ILE 53 HG22 ILE 53 1.056 -3.707 3.865 416 HG23 ILE 53 HG23 ILE 53 2.525 -3.682 2.883 417 HD11 ILE 53 HD11 ILE 53 0.142 1.120 3.307 418 HD12 ILE 53 HD12 ILE 53 1.749 0.733 3.916 419 HD13 ILE 53 HD13 ILE 53 0.348 0.584 4.972 420 H SER 54 H SER 54 4.685 -2.763 4.133 421 HA SER 54 HA SER 54 4.029 -5.419 5.182 422 HB2 SER 54 HB3 SER 54 5.239 -5.037 3.029 423 HB3 SER 54 HB2 SER 54 6.611 -4.429 3.950 424 HG SER 54 HG SER 54 6.649 -6.472 5.024 425 H GLN 55 H GLN 55 6.164 -2.771 6.164 426 HA GLN 55 HA GLN 55 7.537 -4.448 8.153 427 HB2 GLN 55 HB3 GLN 55 7.630 -1.476 7.577 428 HB3 GLN 55 HB2 GLN 55 8.633 -2.277 8.785 429 HG2 GLN 55 HG3 GLN 55 8.572 -3.120 5.873 430 HG3 GLN 55 HG2 GLN 55 9.731 -1.956 6.513 431 HE21 GLN 55 HE22 GLN 55 11.430 -2.751 7.907 432 HE22 GLN 55 HE21 GLN 55 11.712 -4.409 8.132 433 H LEU 56 H LEU 56 5.025 -1.935 8.222 434 HA LEU 56 HA LEU 56 4.959 -1.977 11.171 435 HB2 LEU 56 HB3 LEU 56 3.394 -0.504 9.047 436 HB3 LEU 56 HB2 LEU 56 2.930 -0.427 10.742 437 HG LEU 56 HG LEU 56 4.415 1.466 9.977 438 HD11 LEU 56 HD11 LEU 56 5.554 1.614 12.002 439 HD12 LEU 56 HD12 LEU 56 5.943 -0.101 12.048 440 HD13 LEU 56 HD13 LEU 56 4.303 0.442 12.402 441 HD21 LEU 56 HD21 LEU 56 5.818 -0.079 8.481 442 HD22 LEU 56 HD22 LEU 56 6.642 -0.588 9.954 443 HD23 LEU 56 HD23 LEU 56 6.709 1.097 9.442 444 H PHE 57 H PHE 57 3.887 -4.120 8.958 445 HA PHE 57 HA PHE 57 1.488 -4.875 10.609 446 HB2 PHE 57 HB3 PHE 57 1.883 -5.197 7.624 447 HB3 PHE 57 HB2 PHE 57 0.506 -5.792 8.534 448 HD1 PHE 57 HD2 PHE 57 2.414 -2.557 8.010 449 HD2 PHE 57 HD1 PHE 57 -1.409 -4.437 8.634 450 HE1 PHE 57 HE2 PHE 57 1.297 -0.363 7.811 451 HE2 PHE 57 HE1 PHE 57 -2.516 -2.231 8.426 452 HZ PHE 57 HZ PHE 57 -1.166 -0.197 8.016 453 HA PRO 58 HA PRO 58 4.785 -8.285 10.171 454 HB2 PRO 58 HB2 PRO 58 5.363 -8.555 12.851 455 HB3 PRO 58 HB3 PRO 58 6.236 -7.442 11.777 456 HG2 PRO 58 HG3 PRO 58 3.980 -6.859 13.661 457 HG3 PRO 58 HG2 PRO 58 5.486 -5.955 13.401 458 HD2 PRO 58 HD3 PRO 58 3.158 -5.152 12.271 459 HD3 PRO 58 HD2 PRO 58 4.710 -4.970 11.418 460 H GLY 59 H GLY 59 4.043 -10.384 10.220 461 HA2 GLY 59 HA3 GLY 59 2.769 -12.261 10.854 462 HA3 GLY 59 HA2 GLY 59 2.317 -11.398 12.325 463 H MET 60 H MET 60 1.597 -9.214 10.067 464 HA MET 60 HA MET 60 -0.445 -8.453 9.197 465 HB2 MET 60 HB3 MET 60 -0.875 -11.387 8.566 466 HB3 MET 60 HB2 MET 60 -1.595 -10.004 7.741 467 HG2 MET 60 HG3 MET 60 0.717 -9.257 7.106 468 HG3 MET 60 HG2 MET 60 1.342 -10.755 7.793 469 HE1 MET 60 HE1 MET 60 0.446 -13.511 5.486 470 HE2 MET 60 HE2 MET 60 -0.013 -13.117 7.148 471 HE3 MET 60 HE3 MET 60 1.631 -12.817 6.589 472 H THR 61 H THR 61 -1.567 -7.798 11.050 473 HA THR 61 HA THR 61 -2.746 -9.513 12.981 474 HB THR 61 HB THR 61 -4.017 -7.591 13.691 475 HG1 THR 61 HG1 THR 61 -3.488 -5.805 11.831 476 HG21 THR 61 HG21 THR 61 -1.438 -6.590 12.456 477 HG22 THR 61 HG22 THR 61 -1.531 -7.497 13.966 478 HG23 THR 61 HG23 THR 61 -2.277 -5.903 13.847 479 H GLY 62 H GLY 62 -4.264 -7.950 10.135 480 HA2 GLY 62 HA3 GLY 62 -6.784 -9.302 10.476 481 HA3 GLY 62 HA2 GLY 62 -6.247 -8.498 9.000 Start of MODEL 5 1 H2 PRO 1 H2 PRO 1 -11.487 -1.606 0.957 2 H3 PRO 1 H3 PRO 1 -12.209 -1.469 -0.579 3 HA PRO 1 HA PRO 1 -14.183 -2.063 0.194 4 HB2 PRO 1 HB2 PRO 1 -13.284 -4.290 1.964 5 HB3 PRO 1 HB3 PRO 1 -14.470 -4.314 0.642 6 HG2 PRO 1 HG3 PRO 1 -11.961 -5.368 0.427 7 HG3 PRO 1 HG2 PRO 1 -12.880 -4.731 -0.950 8 HD2 PRO 1 HD3 PRO 1 -10.555 -3.531 0.458 9 HD3 PRO 1 HD2 PRO 1 -11.113 -3.278 -1.200 10 H GLU 2 H GLU 2 -15.500 -1.907 2.183 11 HA GLU 2 HA GLU 2 -14.402 -0.045 4.070 12 HB2 GLU 2 HB3 GLU 2 -16.864 -1.786 4.390 13 HB3 GLU 2 HB2 GLU 2 -16.506 -0.307 5.280 14 HG2 GLU 2 HG3 GLU 2 -16.828 -0.446 2.267 15 HG3 GLU 2 HG2 GLU 2 -18.102 0.052 3.381 16 H GLU 3 H GLU 3 -14.898 -3.548 4.150 17 HA GLU 3 HA GLU 3 -14.334 -3.999 6.889 18 HB2 GLU 3 HB3 GLU 3 -15.190 -5.750 5.382 19 HB3 GLU 3 HB2 GLU 3 -13.659 -5.752 4.505 20 HG2 GLU 3 HG3 GLU 3 -12.460 -6.562 6.428 21 HG3 GLU 3 HG2 GLU 3 -13.857 -6.315 7.477 22 H VAL 4 H VAL 4 -12.045 -4.181 4.128 23 HA VAL 4 HA VAL 4 -9.746 -4.424 5.867 24 HB VAL 4 HB VAL 4 -9.905 -3.603 2.953 25 HG11 VAL 4 HG11 VAL 4 -7.750 -2.981 3.852 26 HG12 VAL 4 HG12 VAL 4 -7.527 -4.481 2.955 27 HG13 VAL 4 HG13 VAL 4 -7.609 -4.512 4.716 28 HG21 VAL 4 HG21 VAL 4 -9.438 -6.291 4.278 29 HG22 VAL 4 HG22 VAL 4 -9.397 -5.983 2.542 30 HG23 VAL 4 HG23 VAL 4 -10.908 -5.806 3.433 31 H ILE 5 H ILE 5 -10.994 -1.704 3.905 32 HA ILE 5 HA ILE 5 -9.096 0.230 4.559 33 HB ILE 5 HB ILE 5 -12.089 0.524 4.240 34 HG12 ILE 5 HG13 ILE 5 -10.489 -0.367 2.337 35 HG13 ILE 5 HG12 ILE 5 -11.688 0.862 1.951 36 HG21 ILE 5 HG21 ILE 5 -11.430 2.953 3.662 37 HG22 ILE 5 HG22 ILE 5 -9.911 2.610 4.488 38 HG23 ILE 5 HG23 ILE 5 -11.436 2.508 5.368 39 HD11 ILE 5 HD11 ILE 5 -10.076 2.586 1.900 40 HD12 ILE 5 HD12 ILE 5 -9.278 1.233 1.104 41 HD13 ILE 5 HD13 ILE 5 -8.883 1.629 2.773 42 H SER 6 H SER 6 -11.531 -1.174 6.583 43 HA SER 6 HA SER 6 -11.483 0.881 8.633 44 HB2 SER 6 HB3 SER 6 -12.717 -0.653 9.985 45 HB3 SER 6 HB2 SER 6 -13.267 -0.939 8.339 46 HG SER 6 HG SER 6 -11.048 -2.380 9.151 47 H LYS 7 H LYS 7 -9.662 -2.107 8.038 48 HA LYS 7 HA LYS 7 -8.234 -1.954 10.567 49 HB2 LYS 7 HB3 LYS 7 -7.211 -3.944 9.951 50 HB3 LYS 7 HB2 LYS 7 -8.666 -4.013 8.973 51 HG2 LYS 7 HG3 LYS 7 -7.146 -4.497 7.303 52 HG3 LYS 7 HG2 LYS 7 -7.052 -2.749 7.198 53 HD2 LYS 7 HD3 LYS 7 -4.784 -3.298 7.359 54 HD3 LYS 7 HD2 LYS 7 -5.173 -3.034 9.055 55 HE2 LYS 7 HE3 LYS 7 -5.541 -5.476 9.333 56 HE3 LYS 7 HE2 LYS 7 -5.109 -5.718 7.641 57 HZ1 LYS 7 HZ1 LYS 7 -3.417 -5.286 9.907 58 HZ2 LYS 7 HZ2 LYS 7 -3.067 -4.221 8.635 59 HZ3 LYS 7 HZ3 LYS 7 -3.034 -5.899 8.370 60 H ILE 8 H ILE 8 -7.686 -0.665 7.349 61 HA ILE 8 HA ILE 8 -4.917 -0.029 7.590 62 HB ILE 8 HB ILE 8 -6.995 1.674 6.183 63 HG12 ILE 8 HG13 ILE 8 -7.245 -0.747 5.573 64 HG13 ILE 8 HG12 ILE 8 -6.772 0.272 4.225 65 HG21 ILE 8 HG21 ILE 8 -4.814 2.694 6.252 66 HG22 ILE 8 HG22 ILE 8 -5.083 2.085 4.619 67 HG23 ILE 8 HG23 ILE 8 -4.040 1.197 5.731 68 HD11 ILE 8 HD11 ILE 8 -4.928 -1.498 5.849 69 HD12 ILE 8 HD12 ILE 8 -4.419 -0.453 4.527 70 HD13 ILE 8 HD13 ILE 8 -5.494 -1.810 4.216 71 H MET 9 H MET 9 -7.769 1.422 8.977 72 HA MET 9 HA MET 9 -6.773 4.003 9.606 73 HB2 MET 9 HB3 MET 9 -8.693 2.218 11.132 74 HB3 MET 9 HB2 MET 9 -8.419 3.920 11.505 75 HG2 MET 9 HG3 MET 9 -9.134 4.540 9.228 76 HG3 MET 9 HG2 MET 9 -9.402 2.839 8.847 77 HE1 MET 9 HE1 MET 9 -11.769 5.044 8.504 78 HE2 MET 9 HE2 MET 9 -13.018 3.879 8.963 79 HE3 MET 9 HE3 MET 9 -11.616 3.353 8.036 80 H GLU 10 H GLU 10 -5.598 1.020 10.559 81 HA GLU 10 HA GLU 10 -4.835 1.467 13.270 82 HB2 GLU 10 HB3 GLU 10 -3.179 -0.306 12.872 83 HB3 GLU 10 HB2 GLU 10 -4.726 -0.735 12.140 84 HG2 GLU 10 HG3 GLU 10 -3.834 0.253 9.962 85 HG3 GLU 10 HG2 GLU 10 -2.253 0.329 10.743 86 H ASN 11 H ASN 11 -3.790 2.964 10.389 87 HA ASN 11 HA ASN 11 -1.685 4.423 11.865 88 HB2 ASN 11 HB3 ASN 11 -0.600 2.395 10.801 89 HB3 ASN 11 HB2 ASN 11 -1.060 3.054 9.231 90 HD21 ASN 11 HD22 ASN 11 1.698 2.717 9.977 91 HD22 ASN 11 HD21 ASN 11 2.400 4.255 10.117 92 HA PRO 12 HA PRO 12 -4.432 7.168 9.286 93 HB2 PRO 12 HB2 PRO 12 -2.679 9.055 10.860 94 HB3 PRO 12 HB3 PRO 12 -4.407 9.202 10.462 95 HG2 PRO 12 HG3 PRO 12 -3.683 8.405 12.872 96 HG3 PRO 12 HG2 PRO 12 -5.035 7.607 12.042 97 HD2 PRO 12 HD3 PRO 12 -2.243 6.599 12.486 98 HD3 PRO 12 HD2 PRO 12 -3.769 5.687 12.418 99 H ASP 13 H ASP 13 -1.040 6.710 9.484 100 HA ASP 13 HA ASP 13 -0.216 8.645 7.492 101 HB2 ASP 13 HB3 ASP 13 1.311 7.560 9.182 102 HB3 ASP 13 HB2 ASP 13 1.160 6.056 8.274 103 H VAL 14 H VAL 14 -1.052 5.190 7.431 104 HA VAL 14 HA VAL 14 -0.608 4.935 4.554 105 HB VAL 14 HB VAL 14 -2.099 3.161 6.518 106 HG11 VAL 14 HG11 VAL 14 -1.140 2.702 3.679 107 HG12 VAL 14 HG12 VAL 14 -2.800 2.654 4.268 108 HG13 VAL 14 HG13 VAL 14 -1.660 1.407 4.759 109 HG21 VAL 14 HG21 VAL 14 0.345 3.549 6.996 110 HG22 VAL 14 HG22 VAL 14 0.710 2.887 5.403 111 HG23 VAL 14 HG23 VAL 14 -0.048 1.871 6.628 112 H ALA 15 H ALA 15 -3.358 5.439 6.701 113 HA ALA 15 HA ALA 15 -5.425 5.207 4.760 114 HB1 ALA 15 HB1 ALA 15 -5.684 5.398 7.270 115 HB2 ALA 15 HB2 ALA 15 -6.784 6.414 6.337 116 HB3 ALA 15 HB3 ALA 15 -5.362 7.124 7.102 117 H MET 16 H MET 16 -3.286 7.865 5.655 118 HA MET 16 HA MET 16 -4.593 9.827 3.939 119 HB2 MET 16 HB3 MET 16 -3.174 10.364 5.968 120 HB3 MET 16 HB2 MET 16 -1.763 9.869 5.033 121 HG2 MET 16 HG3 MET 16 -2.318 11.570 3.317 122 HG3 MET 16 HG2 MET 16 -3.699 12.084 4.284 123 HE1 MET 16 HE1 MET 16 -3.271 12.519 7.012 124 HE2 MET 16 HE2 MET 16 -3.656 13.850 5.912 125 HE3 MET 16 HE3 MET 16 -2.408 14.049 7.139 126 H ALA 17 H ALA 17 -1.884 7.592 3.729 127 HA ALA 17 HA ALA 17 -0.929 8.525 1.157 128 HB1 ALA 17 HB1 ALA 17 -0.616 5.743 2.320 129 HB2 ALA 17 HB2 ALA 17 0.372 7.111 2.831 130 HB3 ALA 17 HB3 ALA 17 0.439 6.549 1.161 131 H PHE 18 H PHE 18 -3.308 6.218 2.291 132 HA PHE 18 HA PHE 18 -3.823 4.809 -0.124 133 HB2 PHE 18 HB3 PHE 18 -5.266 5.418 2.396 134 HB3 PHE 18 HB2 PHE 18 -6.323 5.068 1.036 135 HD1 PHE 18 HD2 PHE 18 -2.926 3.672 1.776 136 HD2 PHE 18 HD1 PHE 18 -7.147 2.891 1.518 137 HE1 PHE 18 HE2 PHE 18 -2.504 1.252 2.101 138 HE2 PHE 18 HE1 PHE 18 -6.719 0.475 1.845 139 HZ PHE 18 HZ PHE 18 -4.398 -0.347 2.132 140 H GLN 19 H GLN 19 -4.458 8.092 0.787 141 HA GLN 19 HA GLN 19 -6.421 8.520 -1.391 142 HB2 GLN 19 HB3 GLN 19 -5.198 10.417 0.636 143 HB3 GLN 19 HB2 GLN 19 -6.445 10.857 -0.532 144 HG2 GLN 19 HG3 GLN 19 -7.930 9.111 0.431 145 HG3 GLN 19 HG2 GLN 19 -6.695 8.752 1.637 146 HE21 GLN 19 HE22 GLN 19 -8.507 9.455 3.193 147 HE22 GLN 19 HE21 GLN 19 -8.660 11.113 3.522 148 H ASN 20 H ASN 20 -3.528 7.788 -1.909 149 HA ASN 20 HA ASN 20 -2.697 10.222 -3.449 150 HB2 ASN 20 HB3 ASN 20 -1.097 7.878 -2.377 151 HB3 ASN 20 HB2 ASN 20 -0.437 9.072 -3.491 152 HD21 ASN 20 HD22 ASN 20 1.040 9.361 -1.431 153 HD22 ASN 20 HD21 ASN 20 0.514 10.510 -0.298 154 HA PRO 21 HA PRO 21 -3.735 7.836 -7.035 155 HB2 PRO 21 HB2 PRO 21 -2.134 8.978 -8.951 156 HB3 PRO 21 HB3 PRO 21 -3.549 9.804 -8.265 157 HG2 PRO 21 HG3 PRO 21 -0.659 10.102 -7.535 158 HG3 PRO 21 HG2 PRO 21 -1.887 11.359 -7.789 159 HD2 PRO 21 HD3 PRO 21 -1.183 10.529 -5.290 160 HD3 PRO 21 HD2 PRO 21 -2.843 11.041 -5.677 161 H ARG 22 H ARG 22 -0.211 8.313 -6.632 162 HA ARG 22 HA ARG 22 0.626 6.070 -8.165 163 HB2 ARG 22 HB3 ARG 22 1.927 7.241 -5.683 164 HB3 ARG 22 HB2 ARG 22 2.722 6.211 -6.874 165 HG2 ARG 22 HG3 ARG 22 2.460 7.875 -8.601 166 HG3 ARG 22 HG2 ARG 22 1.427 8.864 -7.570 167 HD2 ARG 22 HD3 ARG 22 3.269 9.321 -6.061 168 HD3 ARG 22 HD2 ARG 22 4.315 8.201 -6.932 169 HE ARG 22 HE ARG 22 3.731 10.935 -7.712 170 HH11 ARG 22 HH22 ARG 22 4.442 7.742 -8.815 171 HH12 ARG 22 HH21 ARG 22 5.141 8.273 -10.308 172 HH21 ARG 22 HH11 ARG 22 4.640 11.640 -9.655 173 HH22 ARG 22 HH12 ARG 22 5.253 10.478 -10.783 174 H VAL 23 H VAL 23 -0.458 6.349 -4.826 175 HA VAL 23 HA VAL 23 0.168 3.597 -4.120 176 HB VAL 23 HB VAL 23 -1.692 5.611 -2.815 177 HG11 VAL 23 HG11 VAL 23 -0.606 2.936 -1.881 178 HG12 VAL 23 HG12 VAL 23 -2.299 3.387 -2.082 179 HG13 VAL 23 HG13 VAL 23 -1.339 4.120 -0.798 180 HG21 VAL 23 HG21 VAL 23 1.178 4.804 -2.257 181 HG22 VAL 23 HG22 VAL 23 0.224 5.886 -1.242 182 HG23 VAL 23 HG23 VAL 23 0.644 6.359 -2.890 183 H GLN 24 H GLN 24 -2.888 5.342 -4.815 184 HA GLN 24 HA GLN 24 -4.642 3.145 -4.735 185 HB2 GLN 24 HB3 GLN 24 -5.217 5.613 -5.135 186 HB3 GLN 24 HB2 GLN 24 -4.796 5.345 -6.825 187 HG2 GLN 24 HG3 GLN 24 -6.850 3.665 -5.348 188 HG3 GLN 24 HG2 GLN 24 -7.269 5.105 -6.272 189 HE21 GLN 24 HE22 GLN 24 -8.023 2.271 -6.869 190 HE22 GLN 24 HE21 GLN 24 -7.408 1.950 -8.419 191 H ALA 25 H ALA 25 -2.360 4.147 -7.199 192 HA ALA 25 HA ALA 25 -3.219 2.241 -9.215 193 HB1 ALA 25 HB1 ALA 25 -0.529 3.607 -8.864 194 HB2 ALA 25 HB2 ALA 25 -1.903 4.316 -9.714 195 HB3 ALA 25 HB3 ALA 25 -1.135 2.857 -10.341 196 H ALA 26 H ALA 26 -0.874 2.255 -6.575 197 HA ALA 26 HA ALA 26 0.397 -0.227 -7.284 198 HB1 ALA 26 HB1 ALA 26 0.063 0.916 -4.494 199 HB2 ALA 26 HB2 ALA 26 1.283 1.482 -5.636 200 HB3 ALA 26 HB3 ALA 26 1.323 -0.183 -5.057 201 H LEU 27 H LEU 27 -2.381 0.605 -5.222 202 HA LEU 27 HA LEU 27 -2.891 -2.140 -4.415 203 HB2 LEU 27 HB3 LEU 27 -4.409 0.463 -4.267 204 HB3 LEU 27 HB2 LEU 27 -5.266 -1.044 -3.950 205 HG LEU 27 HG LEU 27 -3.623 -1.613 -2.197 206 HD11 LEU 27 HD11 LEU 27 -1.648 -0.500 -3.030 207 HD12 LEU 27 HD12 LEU 27 -2.039 0.214 -1.468 208 HD13 LEU 27 HD13 LEU 27 -2.440 1.073 -2.955 209 HD21 LEU 27 HD21 LEU 27 -4.255 0.211 -0.602 210 HD22 LEU 27 HD22 LEU 27 -5.625 -0.397 -1.530 211 HD23 LEU 27 HD23 LEU 27 -4.877 1.140 -1.965 212 H MET 28 H MET 28 -4.190 0.024 -6.930 213 HA MET 28 HA MET 28 -6.155 -1.761 -7.957 214 HB2 MET 28 HB3 MET 28 -5.921 0.656 -8.600 215 HB3 MET 28 HB2 MET 28 -4.491 0.225 -9.539 216 HG2 MET 28 HG3 MET 28 -5.807 -1.253 -10.954 217 HG3 MET 28 HG2 MET 28 -7.239 -0.986 -9.960 218 HE1 MET 28 HE1 MET 28 -7.867 0.756 -13.428 219 HE2 MET 28 HE2 MET 28 -8.090 -0.701 -12.451 220 HE3 MET 28 HE3 MET 28 -6.568 -0.425 -13.293 221 H GLU 29 H GLU 29 -2.707 -1.352 -8.732 222 HA GLU 29 HA GLU 29 -2.707 -3.470 -10.727 223 HB2 GLU 29 HB3 GLU 29 -1.030 -1.555 -10.582 224 HB3 GLU 29 HB2 GLU 29 -0.321 -2.384 -9.198 225 HG2 GLU 29 HG3 GLU 29 0.946 -3.067 -11.120 226 HG3 GLU 29 HG2 GLU 29 -0.078 -4.436 -10.690 227 H CYS 30 H CYS 30 -2.230 -3.254 -7.255 228 HA CYS 30 HA CYS 30 -0.927 -5.751 -6.810 229 HB2 CYS 30 HB3 CYS 30 -1.315 -4.035 -5.039 230 HB3 CYS 30 HB2 CYS 30 -3.027 -4.456 -5.045 231 HG CYS 30 HG CYS 30 -2.521 -6.452 -3.673 232 H SER 31 H SER 31 -4.349 -4.980 -7.298 233 HA SER 31 HA SER 31 -5.528 -7.398 -6.617 234 HB2 SER 31 HB3 SER 31 -6.758 -5.364 -7.373 235 HB3 SER 31 HB2 SER 31 -6.241 -5.704 -9.022 236 HG SER 31 HG SER 31 -7.259 -7.815 -8.690 237 H GLU 32 H GLU 32 -3.603 -6.616 -9.453 238 HA GLU 32 HA GLU 32 -4.303 -9.000 -10.946 239 HB2 GLU 32 HB3 GLU 32 -1.870 -7.195 -11.135 240 HB3 GLU 32 HB2 GLU 32 -2.312 -8.426 -12.318 241 HG2 GLU 32 HG3 GLU 32 -4.128 -6.127 -11.529 242 HG3 GLU 32 HG2 GLU 32 -3.058 -6.092 -12.930 243 H ASN 33 H ASN 33 -1.331 -8.112 -9.133 244 HA ASN 33 HA ASN 33 -1.073 -10.555 -7.760 245 HB2 ASN 33 HB3 ASN 33 -0.312 -10.722 -10.588 246 HB3 ASN 33 HB2 ASN 33 1.052 -11.114 -9.552 247 HD21 ASN 33 HD22 ASN 33 0.964 -13.400 -10.082 248 HD22 ASN 33 HD21 ASN 33 -0.290 -14.399 -9.523 249 HA PRO 34 HA PRO 34 2.247 -8.521 -5.646 250 HB2 PRO 34 HB2 PRO 34 4.061 -10.766 -6.517 251 HB3 PRO 34 HB3 PRO 34 3.858 -10.050 -4.903 252 HG2 PRO 34 HG3 PRO 34 2.730 -12.377 -5.494 253 HG3 PRO 34 HG2 PRO 34 1.871 -11.177 -4.510 254 HD2 PRO 34 HD3 PRO 34 1.388 -11.957 -7.360 255 HD3 PRO 34 HD2 PRO 34 0.241 -11.368 -6.137 256 H MET 35 H MET 35 2.475 -9.225 -8.979 257 HA MET 35 HA MET 35 5.056 -8.188 -9.603 258 HB2 MET 35 HB3 MET 35 2.518 -8.153 -11.266 259 HB3 MET 35 HB2 MET 35 4.147 -7.876 -11.884 260 HG2 MET 35 HG3 MET 35 4.822 -10.127 -11.196 261 HG3 MET 35 HG2 MET 35 3.229 -10.411 -10.494 262 HE1 MET 35 HE1 MET 35 3.161 -12.753 -13.524 263 HE2 MET 35 HE2 MET 35 3.353 -12.555 -11.777 264 HE3 MET 35 HE3 MET 35 4.715 -12.261 -12.856 265 H ASN 36 H ASN 36 2.380 -6.670 -8.266 266 HA ASN 36 HA ASN 36 2.375 -4.142 -9.542 267 HB2 ASN 36 HB3 ASN 36 1.646 -3.338 -7.149 268 HB3 ASN 36 HB2 ASN 36 0.606 -4.461 -8.020 269 HD21 ASN 36 HD22 ASN 36 2.553 -4.052 -5.175 270 HD22 ASN 36 HD21 ASN 36 2.351 -5.620 -4.557 271 H ILE 37 H ILE 37 4.062 -5.080 -6.542 272 HA ILE 37 HA ILE 37 5.574 -2.651 -6.420 273 HB ILE 37 HB ILE 37 5.063 -4.341 -4.536 274 HG12 ILE 37 HG13 ILE 37 7.254 -3.829 -3.384 275 HG13 ILE 37 HG12 ILE 37 7.852 -3.198 -4.915 276 HG21 ILE 37 HG21 ILE 37 6.550 -6.174 -4.206 277 HG22 ILE 37 HG22 ILE 37 7.631 -5.632 -5.488 278 HG23 ILE 37 HG23 ILE 37 6.040 -6.278 -5.891 279 HD11 ILE 37 HD11 ILE 37 6.660 -1.639 -3.056 280 HD12 ILE 37 HD12 ILE 37 5.233 -2.100 -3.981 281 HD13 ILE 37 HD13 ILE 37 6.580 -1.290 -4.779 282 H MET 38 H MET 38 6.034 -5.585 -8.214 283 HA MET 38 HA MET 38 8.872 -5.427 -8.563 284 HB2 MET 38 HB3 MET 38 6.709 -6.618 -10.317 285 HB3 MET 38 HB2 MET 38 8.433 -6.819 -10.622 286 HG2 MET 38 HG3 MET 38 7.119 -7.580 -7.999 287 HG3 MET 38 HG2 MET 38 7.358 -8.715 -9.326 288 HE1 MET 38 HE1 MET 38 10.067 -9.978 -6.983 289 HE2 MET 38 HE2 MET 38 8.956 -10.437 -8.282 290 HE3 MET 38 HE3 MET 38 8.346 -9.627 -6.841 291 H LYS 39 H LYS 39 7.201 -2.870 -9.062 292 HA LYS 39 HA LYS 39 8.800 -2.010 -11.372 293 HB2 LYS 39 HB3 LYS 39 6.672 -1.011 -12.456 294 HB3 LYS 39 HB2 LYS 39 6.953 -2.737 -12.668 295 HG2 LYS 39 HG3 LYS 39 5.424 -3.258 -10.849 296 HG3 LYS 39 HG2 LYS 39 5.189 -1.543 -10.510 297 HD2 LYS 39 HD3 LYS 39 4.512 -2.875 -13.154 298 HD3 LYS 39 HD2 LYS 39 3.341 -2.577 -11.874 299 HE2 LYS 39 HE3 LYS 39 4.224 -0.078 -12.060 300 HE3 LYS 39 HE2 LYS 39 4.716 -0.598 -13.673 301 HZ1 LYS 39 HZ1 LYS 39 2.100 -0.067 -12.651 302 HZ2 LYS 39 HZ2 LYS 39 2.197 -1.588 -13.396 303 HZ3 LYS 39 HZ3 LYS 39 2.633 -0.192 -14.260 304 H TYR 40 H TYR 40 6.474 -1.222 -8.802 305 HA TYR 40 HA TYR 40 6.939 1.647 -9.039 306 HB2 TYR 40 HB3 TYR 40 5.782 0.103 -6.697 307 HB3 TYR 40 HB2 TYR 40 5.635 1.827 -7.006 308 HD1 TYR 40 HD1 TYR 40 4.781 2.376 -9.515 309 HD2 TYR 40 HD2 TYR 40 3.886 -1.180 -7.272 310 HE1 TYR 40 HE1 TYR 40 2.769 2.006 -10.910 311 HE2 TYR 40 HE2 TYR 40 1.873 -1.546 -8.675 312 HH TYR 40 HH TYR 40 0.780 -0.906 -10.527 313 H GLN 41 H GLN 41 8.894 -0.833 -8.033 314 HA GLN 41 HA GLN 41 10.018 0.002 -5.586 315 HB2 GLN 41 HB3 GLN 41 11.088 -1.436 -8.000 316 HB3 GLN 41 HB2 GLN 41 12.241 -0.904 -6.777 317 HG2 GLN 41 HG3 GLN 41 11.097 -2.161 -5.056 318 HG3 GLN 41 HG2 GLN 41 9.784 -2.562 -6.159 319 HE21 GLN 41 HE22 GLN 41 13.107 -3.340 -5.276 320 HE22 GLN 41 HE21 GLN 41 13.253 -4.695 -6.288 321 H ASN 42 H ASN 42 9.995 1.588 -8.619 322 HA ASN 42 HA ASN 42 12.313 3.329 -7.968 323 HB2 ASN 42 HB3 ASN 42 11.760 4.381 -10.174 324 HB3 ASN 42 HB2 ASN 42 12.075 2.650 -10.301 325 HD21 ASN 42 HD22 ASN 42 10.541 3.823 -12.321 326 HD22 ASN 42 HD21 ASN 42 8.920 3.342 -12.170 327 H ASP 43 H ASP 43 8.816 3.291 -7.947 328 HA ASP 43 HA ASP 43 8.469 6.157 -7.641 329 HB2 ASP 43 HB3 ASP 43 6.722 4.439 -8.426 330 HB3 ASP 43 HB2 ASP 43 6.541 4.003 -6.728 331 H LYS 44 H LYS 44 9.864 6.782 -5.930 332 HA LYS 44 HA LYS 44 10.281 5.586 -3.482 333 HB2 LYS 44 HB3 LYS 44 11.417 7.650 -4.320 334 HB3 LYS 44 HB2 LYS 44 9.970 8.566 -3.899 335 HG2 LYS 44 HG3 LYS 44 10.206 7.965 -1.555 336 HG3 LYS 44 HG2 LYS 44 11.558 6.896 -1.929 337 HD2 LYS 44 HD3 LYS 44 12.831 8.861 -2.785 338 HD3 LYS 44 HD2 LYS 44 11.498 9.905 -2.293 339 HE2 LYS 44 HE3 LYS 44 11.771 9.170 0.043 340 HE3 LYS 44 HE2 LYS 44 13.094 8.109 -0.442 341 HZ1 LYS 44 HZ1 LYS 44 14.510 9.810 -0.549 342 HZ2 LYS 44 HZ2 LYS 44 13.364 10.678 0.351 343 HZ3 LYS 44 HZ3 LYS 44 13.400 10.823 -1.342 344 H GLU 45 H GLU 45 7.400 7.286 -4.522 345 HA GLU 45 HA GLU 45 6.308 7.719 -1.886 346 HB2 GLU 45 HB3 GLU 45 5.530 8.834 -4.036 347 HB3 GLU 45 HB2 GLU 45 4.746 7.313 -4.457 348 HG2 GLU 45 HG3 GLU 45 3.074 8.687 -3.408 349 HG3 GLU 45 HG2 GLU 45 3.518 7.448 -2.236 350 H VAL 46 H VAL 46 5.642 5.205 -4.351 351 HA VAL 46 HA VAL 46 3.947 3.639 -2.660 352 HB VAL 46 HB VAL 46 5.682 2.679 -4.945 353 HG11 VAL 46 HG11 VAL 46 4.744 0.839 -3.672 354 HG12 VAL 46 HG12 VAL 46 3.831 0.991 -5.173 355 HG13 VAL 46 HG13 VAL 46 3.154 1.603 -3.664 356 HG21 VAL 46 HG21 VAL 46 3.725 3.133 -6.371 357 HG22 VAL 46 HG22 VAL 46 4.269 4.617 -5.589 358 HG23 VAL 46 HG23 VAL 46 2.849 3.769 -4.979 359 H MET 47 H MET 47 7.436 3.807 -3.033 360 HA MET 47 HA MET 47 8.084 1.322 -1.782 361 HB2 MET 47 HB3 MET 47 9.595 3.951 -1.865 362 HB3 MET 47 HB2 MET 47 10.272 2.454 -1.224 363 HG2 MET 47 HG3 MET 47 10.011 1.354 -3.378 364 HG3 MET 47 HG2 MET 47 9.177 2.762 -4.033 365 HE1 MET 47 HE1 MET 47 12.166 1.335 -2.383 366 HE2 MET 47 HE2 MET 47 12.580 2.899 -1.666 367 HE3 MET 47 HE3 MET 47 13.570 2.228 -2.958 368 H ASP 48 H ASP 48 7.890 4.592 -0.357 369 HA ASP 48 HA ASP 48 8.332 3.811 2.323 370 HB2 ASP 48 HB3 ASP 48 8.083 6.182 1.241 371 HB3 ASP 48 HB2 ASP 48 6.366 5.989 1.583 372 H VAL 49 H VAL 49 5.411 3.774 0.374 373 HA VAL 49 HA VAL 49 3.642 3.186 2.605 374 HB VAL 49 HB VAL 49 3.271 2.964 -0.393 375 HG11 VAL 49 HG11 VAL 49 1.588 1.636 0.702 376 HG12 VAL 49 HG12 VAL 49 0.834 3.162 0.244 377 HG13 VAL 49 HG13 VAL 49 1.316 2.885 1.918 378 HG21 VAL 49 HG21 VAL 49 3.870 5.237 0.536 379 HG22 VAL 49 HG22 VAL 49 2.425 5.146 1.539 380 HG23 VAL 49 HG23 VAL 49 2.281 5.173 -0.215 381 H PHE 50 H PHE 50 4.750 1.244 -0.176 382 HA PHE 50 HA PHE 50 3.614 -1.187 0.825 383 HB2 PHE 50 HB3 PHE 50 5.278 -0.350 -1.453 384 HB3 PHE 50 HB2 PHE 50 5.690 -1.965 -0.883 385 HD1 PHE 50 HD1 PHE 50 2.776 0.194 -1.753 386 HD2 PHE 50 HD2 PHE 50 4.309 -3.810 -1.499 387 HE1 PHE 50 HE1 PHE 50 0.704 -0.662 -2.796 388 HE2 PHE 50 HE2 PHE 50 2.235 -4.667 -2.550 389 HZ PHE 50 HZ PHE 50 0.431 -3.095 -3.203 390 H ASN 51 H ASN 51 6.600 0.477 1.448 391 HA ASN 51 HA ASN 51 7.893 -1.846 2.700 392 HB2 ASN 51 HB3 ASN 51 8.572 1.113 2.791 393 HB3 ASN 51 HB2 ASN 51 9.565 -0.168 3.481 394 HD21 ASN 51 HD22 ASN 51 7.870 -0.960 0.540 395 HD22 ASN 51 HD21 ASN 51 9.211 -0.870 -0.496 396 H LYS 52 H LYS 52 5.755 0.754 3.600 397 HA LYS 52 HA LYS 52 6.199 0.422 6.486 398 HB2 LYS 52 HB3 LYS 52 5.461 2.599 5.671 399 HB3 LYS 52 HB2 LYS 52 4.056 1.873 4.896 400 HG2 LYS 52 HG3 LYS 52 3.054 1.314 6.990 401 HG3 LYS 52 HG2 LYS 52 4.540 1.643 7.878 402 HD2 LYS 52 HD3 LYS 52 3.253 3.865 6.284 403 HD3 LYS 52 HD2 LYS 52 2.586 3.438 7.857 404 HE2 LYS 52 HE3 LYS 52 4.824 3.776 8.883 405 HE3 LYS 52 HE2 LYS 52 5.458 4.260 7.312 406 HZ1 LYS 52 HZ1 LYS 52 4.424 5.954 9.097 407 HZ2 LYS 52 HZ2 LYS 52 3.054 5.635 8.149 408 HZ3 LYS 52 HZ3 LYS 52 4.463 6.247 7.424 409 H ILE 53 H ILE 53 3.706 -0.337 4.124 410 HA ILE 53 HA ILE 53 1.850 -1.693 5.715 411 HB ILE 53 HB ILE 53 2.641 -1.578 2.875 412 HG12 ILE 53 HG13 ILE 53 0.243 -1.400 2.526 413 HG13 ILE 53 HG12 ILE 53 -0.062 -1.906 4.184 414 HG21 ILE 53 HG21 ILE 53 1.308 -4.094 3.888 415 HG22 ILE 53 HG22 ILE 53 2.800 -3.971 2.956 416 HG23 ILE 53 HG23 ILE 53 1.258 -3.567 2.208 417 HD11 ILE 53 HD11 ILE 53 1.765 0.400 3.965 418 HD12 ILE 53 HD12 ILE 53 0.371 0.160 5.012 419 HD13 ILE 53 HD13 ILE 53 0.144 0.704 3.354 420 H SER 54 H SER 54 4.814 -2.955 4.202 421 HA SER 54 HA SER 54 4.384 -5.634 5.294 422 HB2 SER 54 HB3 SER 54 5.531 -5.446 3.185 423 HB3 SER 54 HB2 SER 54 6.721 -4.342 3.868 424 HG SER 54 HG SER 54 6.287 -7.010 4.746 425 H GLN 55 H GLN 55 6.157 -2.766 6.354 426 HA GLN 55 HA GLN 55 7.820 -4.239 8.245 427 HB2 GLN 55 HB3 GLN 55 7.189 -1.322 7.781 428 HB3 GLN 55 HB2 GLN 55 8.065 -1.814 9.229 429 HG2 GLN 55 HG3 GLN 55 8.934 -2.640 6.442 430 HG3 GLN 55 HG2 GLN 55 9.513 -1.167 7.221 431 HE21 GLN 55 HE22 GLN 55 10.056 -1.852 9.793 432 HE22 GLN 55 HE21 GLN 55 11.153 -3.144 9.882 433 H LEU 56 H LEU 56 4.712 -2.581 8.338 434 HA LEU 56 HA LEU 56 4.435 -3.091 11.246 435 HB2 LEU 56 HB3 LEU 56 2.775 -1.640 9.176 436 HB3 LEU 56 HB2 LEU 56 2.131 -1.989 10.776 437 HG LEU 56 HG LEU 56 3.163 0.300 10.555 438 HD11 LEU 56 HD11 LEU 56 4.847 -1.230 12.525 439 HD12 LEU 56 HD12 LEU 56 3.097 -1.192 12.736 440 HD13 LEU 56 HD13 LEU 56 4.015 0.309 12.715 441 HD21 LEU 56 HD21 LEU 56 5.519 0.577 10.295 442 HD22 LEU 56 HD22 LEU 56 5.039 -0.550 9.032 443 HD23 LEU 56 HD23 LEU 56 5.824 -1.147 10.492 444 H PHE 57 H PHE 57 3.369 -4.358 8.160 445 HA PHE 57 HA PHE 57 1.757 -6.450 9.602 446 HB2 PHE 57 HB3 PHE 57 1.240 -5.767 6.712 447 HB3 PHE 57 HB2 PHE 57 0.135 -6.417 7.919 448 HD1 PHE 57 HD2 PHE 57 0.427 -4.600 10.180 449 HD2 PHE 57 HD1 PHE 57 0.324 -3.707 5.980 450 HE1 PHE 57 HE2 PHE 57 -0.390 -2.318 10.686 451 HE2 PHE 57 HE1 PHE 57 -0.504 -1.430 6.492 452 HZ PHE 57 HZ PHE 57 -0.854 -0.732 8.841 453 HA PRO 58 HA PRO 58 5.379 -8.215 7.046 454 HB2 PRO 58 HB2 PRO 58 6.605 -9.531 9.151 455 HB3 PRO 58 HB3 PRO 58 7.023 -7.880 8.646 456 HG2 PRO 58 HG3 PRO 58 5.209 -8.771 10.858 457 HG3 PRO 58 HG2 PRO 58 6.452 -7.503 10.868 458 HD2 PRO 58 HD3 PRO 58 3.845 -6.868 10.604 459 HD3 PRO 58 HD2 PRO 58 5.096 -5.978 9.704 460 H GLY 59 H GLY 59 2.589 -9.129 8.387 461 HA2 GLY 59 HA3 GLY 59 2.698 -11.818 7.268 462 HA3 GLY 59 HA2 GLY 59 2.565 -11.814 9.029 463 H MET 60 H MET 60 1.156 -9.292 7.044 464 HA MET 60 HA MET 60 -1.074 -8.585 6.861 465 HB2 MET 60 HB3 MET 60 -1.586 -11.574 6.745 466 HB3 MET 60 HB2 MET 60 -2.659 -10.306 6.155 467 HG2 MET 60 HG3 MET 60 0.161 -10.747 5.132 468 HG3 MET 60 HG2 MET 60 -1.285 -11.378 4.346 469 HE1 MET 60 HE1 MET 60 0.943 -9.450 3.050 470 HE2 MET 60 HE2 MET 60 -0.126 -8.473 2.034 471 HE3 MET 60 HE3 MET 60 -0.407 -10.204 2.206 472 H THR 61 H THR 61 -0.182 -8.637 9.499 473 HA THR 61 HA THR 61 -0.950 -8.714 11.716 474 HB THR 61 HB THR 61 -3.680 -8.716 10.393 475 HG1 THR 61 HG1 THR 61 -1.763 -7.005 10.069 476 HG21 THR 61 HG21 THR 61 -4.300 -7.456 12.451 477 HG22 THR 61 HG22 THR 61 -2.672 -7.724 13.073 478 HG23 THR 61 HG23 THR 61 -3.749 -9.094 12.801 479 H GLY 62 H GLY 62 -0.112 -10.997 11.759 480 HA2 GLY 62 HA3 GLY 62 -1.761 -13.265 11.284 481 HA3 GLY 62 HA2 GLY 62 -0.390 -13.240 12.393 Start of MODEL 6 1 H2 PRO 1 H2 PRO 1 -15.450 -3.392 1.782 2 H3 PRO 1 H3 PRO 1 -15.107 -4.885 1.037 3 HA PRO 1 HA PRO 1 -13.192 -4.930 2.134 4 HB2 PRO 1 HB2 PRO 1 -11.654 -2.801 1.256 5 HB3 PRO 1 HB3 PRO 1 -11.929 -4.274 0.303 6 HG2 PRO 1 HG3 PRO 1 -13.211 -1.599 0.049 7 HG3 PRO 1 HG2 PRO 1 -12.823 -2.789 -1.209 8 HD2 PRO 1 HD3 PRO 1 -15.364 -2.416 -0.189 9 HD3 PRO 1 HD2 PRO 1 -14.810 -3.926 -0.924 10 H GLU 2 H GLU 2 -15.425 -3.110 3.206 11 HA GLU 2 HA GLU 2 -14.280 -0.874 4.539 12 HB2 GLU 2 HB3 GLU 2 -16.538 -2.680 5.463 13 HB3 GLU 2 HB2 GLU 2 -16.191 -1.071 6.097 14 HG2 GLU 2 HG3 GLU 2 -16.519 -0.131 3.815 15 HG3 GLU 2 HG2 GLU 2 -16.954 -1.741 3.240 16 H GLU 3 H GLU 3 -14.081 -4.289 5.170 17 HA GLU 3 HA GLU 3 -13.321 -4.144 7.938 18 HB2 GLU 3 HB3 GLU 3 -12.437 -6.295 6.001 19 HB3 GLU 3 HB2 GLU 3 -12.756 -6.446 7.732 20 HG2 GLU 3 HG3 GLU 3 -15.154 -5.806 7.250 21 HG3 GLU 3 HG2 GLU 3 -14.771 -5.934 5.533 22 H VAL 4 H VAL 4 -11.231 -4.735 5.057 23 HA VAL 4 HA VAL 4 -8.823 -4.350 6.575 24 HB VAL 4 HB VAL 4 -8.905 -5.525 4.373 25 HG11 VAL 4 HG11 VAL 4 -9.000 -2.770 3.121 26 HG12 VAL 4 HG12 VAL 4 -10.436 -3.774 3.315 27 HG13 VAL 4 HG13 VAL 4 -9.100 -4.334 2.315 28 HG21 VAL 4 HG21 VAL 4 -6.774 -4.635 3.559 29 HG22 VAL 4 HG22 VAL 4 -6.785 -4.634 5.322 30 HG23 VAL 4 HG23 VAL 4 -7.044 -3.130 4.437 31 H ILE 5 H ILE 5 -10.637 -2.151 4.411 32 HA ILE 5 HA ILE 5 -9.013 0.118 4.663 33 HB ILE 5 HB ILE 5 -12.035 -0.024 4.524 34 HG12 ILE 5 HG13 ILE 5 -9.989 0.459 2.334 35 HG13 ILE 5 HG12 ILE 5 -10.681 -1.124 2.679 36 HG21 ILE 5 HG21 ILE 5 -11.729 2.313 3.533 37 HG22 ILE 5 HG22 ILE 5 -10.081 2.268 4.157 38 HG23 ILE 5 HG23 ILE 5 -11.449 2.186 5.267 39 HD11 ILE 5 HD11 ILE 5 -11.832 0.181 0.826 40 HD12 ILE 5 HD12 ILE 5 -12.385 1.305 2.066 41 HD13 ILE 5 HD13 ILE 5 -12.890 -0.384 2.118 42 H SER 6 H SER 6 -11.285 -1.262 6.997 43 HA SER 6 HA SER 6 -11.384 1.053 8.713 44 HB2 SER 6 HB3 SER 6 -11.826 -1.887 9.281 45 HB3 SER 6 HB2 SER 6 -12.059 -0.630 10.489 46 HG SER 6 HG SER 6 -13.940 -0.358 9.620 47 H LYS 7 H LYS 7 -9.162 -1.704 8.516 48 HA LYS 7 HA LYS 7 -7.758 -0.998 10.952 49 HB2 LYS 7 HB3 LYS 7 -6.434 -2.866 10.568 50 HB3 LYS 7 HB2 LYS 7 -7.866 -3.286 9.643 51 HG2 LYS 7 HG3 LYS 7 -6.295 -3.738 8.010 52 HG3 LYS 7 HG2 LYS 7 -6.482 -2.026 7.683 53 HD2 LYS 7 HD3 LYS 7 -4.156 -2.183 7.847 54 HD3 LYS 7 HD2 LYS 7 -4.569 -1.768 9.507 55 HE2 LYS 7 HE3 LYS 7 -4.540 -4.181 10.101 56 HE3 LYS 7 HE2 LYS 7 -4.086 -4.569 8.443 57 HZ1 LYS 7 HZ1 LYS 7 -2.213 -2.839 8.932 58 HZ2 LYS 7 HZ2 LYS 7 -2.048 -4.454 9.424 59 HZ3 LYS 7 HZ3 LYS 7 -2.516 -3.268 10.547 60 H ILE 8 H ILE 8 -7.405 -0.060 7.582 61 HA ILE 8 HA ILE 8 -4.760 0.988 7.690 62 HB ILE 8 HB ILE 8 -7.039 2.273 6.156 63 HG12 ILE 8 HG13 ILE 8 -7.056 -0.216 5.833 64 HG13 ILE 8 HG12 ILE 8 -6.731 0.685 4.365 65 HG21 ILE 8 HG21 ILE 8 -5.209 2.679 4.496 66 HG22 ILE 8 HG22 ILE 8 -4.062 2.029 5.668 67 HG23 ILE 8 HG23 ILE 8 -4.967 3.496 6.039 68 HD11 ILE 8 HD11 ILE 8 -5.258 -1.280 4.583 69 HD12 ILE 8 HD12 ILE 8 -4.636 -0.648 6.101 70 HD13 ILE 8 HD13 ILE 8 -4.330 0.216 4.597 71 H MET 9 H MET 9 -7.805 2.244 8.879 72 HA MET 9 HA MET 9 -7.117 4.965 9.245 73 HB2 MET 9 HB3 MET 9 -8.872 3.149 10.924 74 HB3 MET 9 HB2 MET 9 -8.805 4.902 11.107 75 HG2 MET 9 HG3 MET 9 -9.463 3.543 8.480 76 HG3 MET 9 HG2 MET 9 -10.692 4.050 9.637 77 HE1 MET 9 HE1 MET 9 -10.114 5.208 6.391 78 HE2 MET 9 HE2 MET 9 -11.063 6.630 6.845 79 HE3 MET 9 HE3 MET 9 -11.508 5.039 7.456 80 H GLU 10 H GLU 10 -5.622 2.271 10.561 81 HA GLU 10 HA GLU 10 -5.019 3.223 13.211 82 HB2 GLU 10 HB3 GLU 10 -3.361 1.460 13.256 83 HB3 GLU 10 HB2 GLU 10 -4.788 0.847 12.422 84 HG2 GLU 10 HG3 GLU 10 -3.648 1.527 10.235 85 HG3 GLU 10 HG2 GLU 10 -2.183 1.787 11.182 86 H ASN 11 H ASN 11 -3.858 4.075 10.089 87 HA ASN 11 HA ASN 11 -1.843 5.896 11.316 88 HB2 ASN 11 HB3 ASN 11 -1.310 3.902 9.095 89 HB3 ASN 11 HB2 ASN 11 -0.230 5.239 9.492 90 HD21 ASN 11 HD22 ASN 11 0.106 2.199 9.808 91 HD22 ASN 11 HD21 ASN 11 0.549 1.999 11.434 92 HA PRO 12 HA PRO 12 -4.669 8.127 8.358 93 HB2 PRO 12 HB2 PRO 12 -3.018 10.299 9.646 94 HB3 PRO 12 HB3 PRO 12 -4.748 10.303 9.235 95 HG2 PRO 12 HG3 PRO 12 -3.996 9.909 11.735 96 HG3 PRO 12 HG2 PRO 12 -5.308 8.937 11.038 97 HD2 PRO 12 HD3 PRO 12 -2.472 8.133 11.607 98 HD3 PRO 12 HD2 PRO 12 -3.956 7.156 11.698 99 H ASP 13 H ASP 13 -1.283 7.774 8.637 100 HA ASP 13 HA ASP 13 -0.465 9.457 6.425 101 HB2 ASP 13 HB3 ASP 13 1.081 8.632 8.225 102 HB3 ASP 13 HB2 ASP 13 0.927 7.008 7.556 103 H VAL 14 H VAL 14 -1.303 6.019 6.793 104 HA VAL 14 HA VAL 14 -0.827 5.416 3.967 105 HB VAL 14 HB VAL 14 -2.346 3.883 6.105 106 HG11 VAL 14 HG11 VAL 14 -1.913 1.940 4.599 107 HG12 VAL 14 HG12 VAL 14 -1.266 3.055 3.395 108 HG13 VAL 14 HG13 VAL 14 -2.960 3.150 3.869 109 HG21 VAL 14 HG21 VAL 14 -0.294 2.625 6.416 110 HG22 VAL 14 HG22 VAL 14 0.081 4.338 6.601 111 HG23 VAL 14 HG23 VAL 14 0.493 3.502 5.104 112 H ALA 15 H ALA 15 -3.593 6.171 6.020 113 HA ALA 15 HA ALA 15 -5.644 5.695 4.109 114 HB1 ALA 15 HB1 ALA 15 -7.024 7.064 5.520 115 HB2 ALA 15 HB2 ALA 15 -5.617 7.888 6.193 116 HB3 ALA 15 HB3 ALA 15 -5.915 6.194 6.579 117 H MET 16 H MET 16 -3.534 8.473 4.682 118 HA MET 16 HA MET 16 -4.849 10.172 2.706 119 HB2 MET 16 HB3 MET 16 -2.337 10.296 4.358 120 HB3 MET 16 HB2 MET 16 -2.483 11.375 2.972 121 HG2 MET 16 HG3 MET 16 -3.298 12.346 5.171 122 HG3 MET 16 HG2 MET 16 -4.476 12.385 3.862 123 HE1 MET 16 HE1 MET 16 -5.153 12.918 6.617 124 HE2 MET 16 HE2 MET 16 -6.409 11.833 7.228 125 HE3 MET 16 HE3 MET 16 -6.604 12.620 5.664 126 H ALA 17 H ALA 17 -2.153 7.912 2.796 127 HA ALA 17 HA ALA 17 -1.162 8.533 0.147 128 HB1 ALA 17 HB1 ALA 17 -0.916 5.912 1.652 129 HB2 ALA 17 HB2 ALA 17 0.119 7.306 1.961 130 HB3 ALA 17 HB3 ALA 17 0.148 6.518 0.383 131 H PHE 18 H PHE 18 -3.542 6.352 1.527 132 HA PHE 18 HA PHE 18 -4.089 4.742 -0.752 133 HB2 PHE 18 HB3 PHE 18 -5.521 5.589 1.719 134 HB3 PHE 18 HB2 PHE 18 -6.548 5.007 0.417 135 HD1 PHE 18 HD1 PHE 18 -3.073 3.855 1.196 136 HD2 PHE 18 HD2 PHE 18 -7.269 2.917 1.321 137 HE1 PHE 18 HE1 PHE 18 -2.539 1.524 1.835 138 HE2 PHE 18 HE2 PHE 18 -6.727 0.588 1.961 139 HZ PHE 18 HZ PHE 18 -4.362 -0.112 2.213 140 H GLN 19 H GLN 19 -4.705 8.097 -0.143 141 HA GLN 19 HA GLN 19 -6.823 8.335 -2.171 142 HB2 GLN 19 HB3 GLN 19 -5.253 10.469 -0.693 143 HB3 GLN 19 HB2 GLN 19 -6.681 10.749 -1.688 144 HG2 GLN 19 HG3 GLN 19 -6.655 8.917 0.727 145 HG3 GLN 19 HG2 GLN 19 -7.161 10.604 0.786 146 HE21 GLN 19 HE22 GLN 19 -8.172 7.388 -0.060 147 HE22 GLN 19 HE21 GLN 19 -9.702 7.805 -0.667 148 H ASN 20 H ASN 20 -3.871 7.475 -2.733 149 HA ASN 20 HA ASN 20 -3.250 9.514 -4.832 150 HB2 ASN 20 HB3 ASN 20 -1.596 7.503 -3.311 151 HB3 ASN 20 HB2 ASN 20 -1.033 8.072 -4.877 152 HD21 ASN 20 HD22 ASN 20 -0.210 8.626 -1.886 153 HD22 ASN 20 HD21 ASN 20 -0.065 10.317 -1.847 154 HA PRO 21 HA PRO 21 -4.806 6.517 -7.700 155 HB2 PRO 21 HB2 PRO 21 -3.571 7.284 -10.028 156 HB3 PRO 21 HB3 PRO 21 -4.876 8.226 -9.276 157 HG2 PRO 21 HG3 PRO 21 -1.913 8.639 -9.100 158 HG3 PRO 21 HG2 PRO 21 -3.198 9.834 -9.370 159 HD2 PRO 21 HD3 PRO 21 -2.074 9.468 -6.914 160 HD3 PRO 21 HD2 PRO 21 -3.787 9.913 -7.107 161 H ARG 22 H ARG 22 -1.267 7.018 -7.997 162 HA ARG 22 HA ARG 22 -0.734 4.472 -9.190 163 HB2 ARG 22 HB3 ARG 22 1.125 6.042 -7.377 164 HB3 ARG 22 HB2 ARG 22 1.582 4.880 -8.624 165 HG2 ARG 22 HG3 ARG 22 0.494 6.373 -10.328 166 HG3 ARG 22 HG2 ARG 22 0.240 7.564 -9.052 167 HD2 ARG 22 HD3 ARG 22 2.729 7.515 -8.623 168 HD3 ARG 22 HD2 ARG 22 2.893 6.509 -10.063 169 HE ARG 22 HE ARG 22 1.435 8.769 -10.870 170 HH11 ARG 22 HH22 ARG 22 4.499 8.011 -9.471 171 HH12 ARG 22 HH21 ARG 22 5.307 9.367 -10.184 172 HH21 ARG 22 HH11 ARG 22 2.476 10.541 -11.806 173 HH22 ARG 22 HH12 ARG 22 4.162 10.798 -11.505 174 H VAL 23 H VAL 23 -1.309 5.475 -5.905 175 HA VAL 23 HA VAL 23 -0.277 3.055 -4.661 176 HB VAL 23 HB VAL 23 -2.161 5.206 -3.644 177 HG11 VAL 23 HG11 VAL 23 -1.466 4.293 -1.379 178 HG12 VAL 23 HG12 VAL 23 -0.793 2.900 -2.226 179 HG13 VAL 23 HG13 VAL 23 -2.524 3.230 -2.306 180 HG21 VAL 23 HG21 VAL 23 0.816 4.719 -3.360 181 HG22 VAL 23 HG22 VAL 23 -0.072 5.899 -2.397 182 HG23 VAL 23 HG23 VAL 23 0.040 6.082 -4.149 183 H GLN 24 H GLN 24 -3.596 4.281 -5.287 184 HA GLN 24 HA GLN 24 -4.982 1.958 -4.447 185 HB2 GLN 24 HB3 GLN 24 -5.631 3.912 -6.679 186 HB3 GLN 24 HB2 GLN 24 -6.755 2.690 -6.083 187 HG2 GLN 24 HG3 GLN 24 -6.713 3.667 -3.855 188 HG3 GLN 24 HG2 GLN 24 -5.475 4.822 -4.349 189 HE21 GLN 24 HE22 GLN 24 -8.857 4.354 -4.103 190 HE22 GLN 24 HE21 GLN 24 -9.344 5.681 -5.042 191 H ALA 25 H ALA 25 -3.295 2.715 -7.429 192 HA ALA 25 HA ALA 25 -4.135 0.311 -8.844 193 HB1 ALA 25 HB1 ALA 25 -3.419 2.284 -10.100 194 HB2 ALA 25 HB2 ALA 25 -2.295 0.963 -10.417 195 HB3 ALA 25 HB3 ALA 25 -1.847 2.254 -9.303 196 H ALA 26 H ALA 26 -1.458 1.259 -6.763 197 HA ALA 26 HA ALA 26 0.195 -1.046 -7.277 198 HB1 ALA 26 HB1 ALA 26 0.049 0.649 -4.765 199 HB2 ALA 26 HB2 ALA 26 1.002 1.058 -6.191 200 HB3 ALA 26 HB3 ALA 26 1.389 -0.387 -5.256 201 H LEU 27 H LEU 27 -2.193 -0.285 -4.725 202 HA LEU 27 HA LEU 27 -1.961 -2.887 -3.463 203 HB2 LEU 27 HB3 LEU 27 -3.875 -0.565 -3.250 204 HB3 LEU 27 HB2 LEU 27 -4.298 -2.100 -2.495 205 HG LEU 27 HG LEU 27 -2.151 -2.059 -1.247 206 HD11 LEU 27 HD11 LEU 27 -0.766 -0.755 -2.740 207 HD12 LEU 27 HD12 LEU 27 -0.901 0.138 -1.228 208 HD13 LEU 27 HD13 LEU 27 -1.857 0.625 -2.627 209 HD21 LEU 27 HD21 LEU 27 -2.796 -0.319 0.322 210 HD22 LEU 27 HD22 LEU 27 -4.259 -1.068 -0.317 211 HD23 LEU 27 HD23 LEU 27 -3.737 0.505 -0.921 212 H MET 28 H MET 28 -4.399 -1.431 -5.650 213 HA MET 28 HA MET 28 -6.054 -3.731 -5.858 214 HB2 MET 28 HB3 MET 28 -6.560 -1.404 -6.754 215 HB3 MET 28 HB2 MET 28 -5.484 -1.766 -8.102 216 HG2 MET 28 HG3 MET 28 -7.709 -2.289 -8.840 217 HG3 MET 28 HG2 MET 28 -6.910 -3.831 -8.539 218 HE1 MET 28 HE1 MET 28 -10.749 -4.108 -7.559 219 HE2 MET 28 HE2 MET 28 -9.543 -4.368 -8.827 220 HE3 MET 28 HE3 MET 28 -10.194 -2.755 -8.542 221 H GLU 29 H GLU 29 -3.129 -2.790 -7.628 222 HA GLU 29 HA GLU 29 -3.213 -5.101 -9.395 223 HB2 GLU 29 HB3 GLU 29 -2.018 -3.019 -9.998 224 HB3 GLU 29 HB2 GLU 29 -0.899 -3.284 -8.661 225 HG2 GLU 29 HG3 GLU 29 -0.058 -5.309 -9.660 226 HG3 GLU 29 HG2 GLU 29 -1.324 -5.296 -10.888 227 H CYS 30 H CYS 30 -2.002 -4.439 -6.178 228 HA CYS 30 HA CYS 30 -0.068 -6.510 -5.939 229 HB2 CYS 30 HB3 CYS 30 -0.575 -4.731 -4.209 230 HB3 CYS 30 HB2 CYS 30 -2.000 -5.668 -3.760 231 HG CYS 30 HG CYS 30 -0.456 -6.966 -2.327 232 H SER 31 H SER 31 -3.587 -6.629 -5.867 233 HA SER 31 HA SER 31 -4.031 -9.138 -4.759 234 HB2 SER 31 HB3 SER 31 -5.910 -7.774 -5.397 235 HB3 SER 31 HB2 SER 31 -5.406 -7.777 -7.085 236 HG SER 31 HG SER 31 -7.044 -9.437 -5.960 237 H GLU 32 H GLU 32 -2.624 -8.299 -7.836 238 HA GLU 32 HA GLU 32 -2.903 -10.882 -9.095 239 HB2 GLU 32 HB3 GLU 32 -0.850 -8.688 -9.525 240 HB3 GLU 32 HB2 GLU 32 -1.082 -10.072 -10.592 241 HG2 GLU 32 HG3 GLU 32 -3.282 -8.099 -9.906 242 HG3 GLU 32 HG2 GLU 32 -2.270 -7.971 -11.345 243 H ASN 33 H ASN 33 -0.082 -9.328 -7.532 244 HA ASN 33 HA ASN 33 0.720 -11.500 -5.958 245 HB2 ASN 33 HB3 ASN 33 2.740 -12.210 -7.547 246 HB3 ASN 33 HB2 ASN 33 1.164 -12.971 -7.738 247 HD21 ASN 33 HD22 ASN 33 1.406 -13.322 -10.040 248 HD22 ASN 33 HD21 ASN 33 1.422 -12.038 -11.149 249 HA PRO 34 HA PRO 34 3.642 -8.486 -4.460 250 HB2 PRO 34 HB2 PRO 34 5.750 -10.611 -4.813 251 HB3 PRO 34 HB3 PRO 34 5.444 -9.557 -3.416 252 HG2 PRO 34 HG3 PRO 34 4.650 -12.088 -3.392 253 HG3 PRO 34 HG2 PRO 34 3.630 -10.811 -2.702 254 HD2 PRO 34 HD3 PRO 34 3.269 -12.321 -5.262 255 HD3 PRO 34 HD2 PRO 34 2.049 -11.610 -4.183 256 H MET 35 H MET 35 3.958 -9.932 -7.536 257 HA MET 35 HA MET 35 6.388 -8.713 -8.455 258 HB2 MET 35 HB3 MET 35 3.911 -9.482 -10.034 259 HB3 MET 35 HB2 MET 35 5.506 -9.158 -10.714 260 HG2 MET 35 HG3 MET 35 6.445 -11.030 -9.403 261 HG3 MET 35 HG2 MET 35 4.845 -11.363 -8.739 262 HE1 MET 35 HE1 MET 35 6.297 -13.714 -10.025 263 HE2 MET 35 HE2 MET 35 4.968 -14.383 -10.982 264 HE3 MET 35 HE3 MET 35 4.652 -13.688 -9.394 265 H ASN 36 H ASN 36 3.503 -7.362 -7.465 266 HA ASN 36 HA ASN 36 3.119 -5.254 -9.343 267 HB2 ASN 36 HB3 ASN 36 1.485 -5.872 -7.577 268 HB3 ASN 36 HB2 ASN 36 2.586 -5.229 -6.358 269 HD21 ASN 36 HD22 ASN 36 1.725 -3.917 -9.593 270 HD22 ASN 36 HD21 ASN 36 1.159 -2.430 -9.002 271 H ILE 37 H ILE 37 4.479 -4.944 -6.078 272 HA ILE 37 HA ILE 37 5.572 -2.388 -6.454 273 HB ILE 37 HB ILE 37 5.243 -3.700 -4.273 274 HG12 ILE 37 HG13 ILE 37 7.230 -2.602 -3.174 275 HG13 ILE 37 HG12 ILE 37 7.840 -2.212 -4.780 276 HG21 ILE 37 HG21 ILE 37 8.036 -4.717 -4.843 277 HG22 ILE 37 HG22 ILE 37 6.589 -5.687 -5.119 278 HG23 ILE 37 HG23 ILE 37 6.983 -5.134 -3.492 279 HD11 ILE 37 HD11 ILE 37 6.301 -0.514 -3.377 280 HD12 ILE 37 HD12 ILE 37 5.018 -1.407 -4.190 281 HD13 ILE 37 HD13 ILE 37 6.259 -0.582 -5.132 282 H MET 38 H MET 38 6.864 -5.526 -7.330 283 HA MET 38 HA MET 38 9.585 -4.860 -7.708 284 HB2 MET 38 HB3 MET 38 7.753 -6.728 -9.237 285 HB3 MET 38 HB2 MET 38 9.485 -6.630 -9.546 286 HG2 MET 38 HG3 MET 38 9.904 -7.157 -7.141 287 HG3 MET 38 HG2 MET 38 8.167 -7.360 -6.914 288 HE1 MET 38 HE1 MET 38 8.287 -9.692 -6.037 289 HE2 MET 38 HE2 MET 38 10.054 -9.607 -6.074 290 HE3 MET 38 HE3 MET 38 9.222 -11.013 -6.734 291 H LYS 39 H LYS 39 6.800 -3.678 -9.290 292 HA LYS 39 HA LYS 39 8.354 -2.689 -11.646 293 HB2 LYS 39 HB3 LYS 39 5.376 -2.669 -11.063 294 HB3 LYS 39 HB2 LYS 39 6.126 -2.065 -12.542 295 HG2 LYS 39 HG3 LYS 39 7.146 -4.391 -12.825 296 HG3 LYS 39 HG2 LYS 39 6.075 -4.920 -11.528 297 HD2 LYS 39 HD3 LYS 39 5.171 -3.614 -14.115 298 HD3 LYS 39 HD2 LYS 39 5.097 -5.340 -13.773 299 HE2 LYS 39 HE3 LYS 39 3.704 -4.682 -11.690 300 HE3 LYS 39 HE2 LYS 39 3.530 -3.108 -12.470 301 HZ1 LYS 39 HZ1 LYS 39 2.953 -4.750 -14.487 302 HZ2 LYS 39 HZ2 LYS 39 1.787 -4.095 -13.444 303 HZ3 LYS 39 HZ3 LYS 39 2.374 -5.667 -13.180 304 H TYR 40 H TYR 40 6.134 -1.508 -9.087 305 HA TYR 40 HA TYR 40 6.665 1.278 -9.684 306 HB2 TYR 40 HB3 TYR 40 5.409 -0.117 -7.299 307 HB3 TYR 40 HB2 TYR 40 5.492 1.630 -7.482 308 HD1 TYR 40 HD1 TYR 40 4.093 -1.481 -8.891 309 HD2 TYR 40 HD2 TYR 40 4.076 2.807 -9.031 310 HE1 TYR 40 HE1 TYR 40 2.078 -1.538 -10.334 311 HE2 TYR 40 HE2 TYR 40 2.054 2.752 -10.464 312 HH TYR 40 HH TYR 40 0.625 -0.344 -11.510 313 H GLN 41 H GLN 41 8.719 -0.970 -8.631 314 HA GLN 41 HA GLN 41 9.866 -0.043 -6.226 315 HB2 GLN 41 HB3 GLN 41 12.008 -1.025 -7.134 316 HB3 GLN 41 HB2 GLN 41 10.624 -2.116 -7.208 317 HG2 GLN 41 HG3 GLN 41 10.264 -1.520 -9.571 318 HG3 GLN 41 HG2 GLN 41 11.634 -0.411 -9.505 319 HE21 GLN 41 HE22 GLN 41 12.978 -2.509 -7.606 320 HE22 GLN 41 HE21 GLN 41 13.597 -3.661 -8.688 321 H ASN 42 H ASN 42 9.714 1.472 -9.291 322 HA ASN 42 HA ASN 42 11.997 3.297 -8.712 323 HB2 ASN 42 HB3 ASN 42 10.160 3.072 -11.118 324 HB3 ASN 42 HB2 ASN 42 11.527 4.179 -10.985 325 HD21 ASN 42 HD22 ASN 42 11.082 1.770 -12.824 326 HD22 ASN 42 HD21 ASN 42 12.454 0.800 -12.585 327 H ASP 43 H ASP 43 8.597 3.081 -8.355 328 HA ASP 43 HA ASP 43 8.117 5.985 -8.420 329 HB2 ASP 43 HB3 ASP 43 6.425 4.146 -9.056 330 HB3 ASP 43 HB2 ASP 43 6.253 3.860 -7.326 331 H LYS 44 H LYS 44 9.505 6.774 -6.759 332 HA LYS 44 HA LYS 44 9.903 5.778 -4.212 333 HB2 LYS 44 HB3 LYS 44 11.044 7.773 -5.202 334 HB3 LYS 44 HB2 LYS 44 9.585 8.712 -4.881 335 HG2 LYS 44 HG3 LYS 44 9.785 8.305 -2.492 336 HG3 LYS 44 HG2 LYS 44 11.151 7.221 -2.756 337 HD2 LYS 44 HD3 LYS 44 12.451 9.097 -3.711 338 HD3 LYS 44 HD2 LYS 44 11.090 10.181 -3.415 339 HE2 LYS 44 HE3 LYS 44 12.816 10.301 -1.616 340 HE3 LYS 44 HE2 LYS 44 11.244 9.781 -1.012 341 HZ1 LYS 44 HZ1 LYS 44 13.631 8.460 -0.721 342 HZ2 LYS 44 HZ2 LYS 44 12.800 7.573 -1.903 343 HZ3 LYS 44 HZ3 LYS 44 12.084 7.843 -0.386 344 H GLU 45 H GLU 45 7.010 7.229 -5.475 345 HA GLU 45 HA GLU 45 5.845 7.962 -2.925 346 HB2 GLU 45 HB3 GLU 45 5.090 8.868 -5.139 347 HB3 GLU 45 HB2 GLU 45 4.423 7.279 -5.516 348 HG2 GLU 45 HG3 GLU 45 2.915 7.404 -3.612 349 HG3 GLU 45 HG2 GLU 45 3.648 8.920 -3.086 350 H VAL 46 H VAL 46 5.339 5.170 -5.105 351 HA VAL 46 HA VAL 46 3.602 3.788 -3.284 352 HB VAL 46 HB VAL 46 5.311 2.631 -5.493 353 HG11 VAL 46 HG11 VAL 46 2.810 1.641 -4.093 354 HG12 VAL 46 HG12 VAL 46 4.413 0.914 -4.013 355 HG13 VAL 46 HG13 VAL 46 3.512 0.891 -5.526 356 HG21 VAL 46 HG21 VAL 46 3.919 4.406 -6.391 357 HG22 VAL 46 HG22 VAL 46 2.515 3.805 -5.511 358 HG23 VAL 46 HG23 VAL 46 3.194 2.863 -6.837 359 H MET 47 H MET 47 7.091 3.895 -3.727 360 HA MET 47 HA MET 47 7.725 1.560 -2.180 361 HB2 MET 47 HB3 MET 47 9.330 4.098 -2.616 362 HB3 MET 47 HB2 MET 47 9.971 2.603 -1.939 363 HG2 MET 47 HG3 MET 47 9.631 1.417 -3.989 364 HG3 MET 47 HG2 MET 47 8.640 2.714 -4.656 365 HE1 MET 47 HE1 MET 47 11.993 1.141 -4.316 366 HE2 MET 47 HE2 MET 47 12.127 2.201 -2.906 367 HE3 MET 47 HE3 MET 47 13.180 2.443 -4.297 368 H ASP 48 H ASP 48 7.356 4.979 -1.343 369 HA ASP 48 HA ASP 48 8.072 4.814 1.399 370 HB2 ASP 48 HB3 ASP 48 6.210 6.606 -0.170 371 HB3 ASP 48 HB2 ASP 48 6.474 6.847 1.557 372 H VAL 49 H VAL 49 4.819 4.768 -0.044 373 HA VAL 49 HA VAL 49 3.488 4.166 2.431 374 HB VAL 49 HB VAL 49 2.426 5.288 0.500 375 HG11 VAL 49 HG11 VAL 49 3.640 3.690 -1.131 376 HG12 VAL 49 HG12 VAL 49 2.020 4.223 -1.540 377 HG13 VAL 49 HG13 VAL 49 2.270 2.613 -0.879 378 HG21 VAL 49 HG21 VAL 49 0.297 4.131 0.613 379 HG22 VAL 49 HG22 VAL 49 1.062 4.037 2.199 380 HG23 VAL 49 HG23 VAL 49 1.086 2.640 1.123 381 H PHE 50 H PHE 50 4.252 2.105 -0.401 382 HA PHE 50 HA PHE 50 3.132 -0.238 0.784 383 HB2 PHE 50 HB3 PHE 50 3.932 0.374 -1.728 384 HB3 PHE 50 HB2 PHE 50 5.312 -0.603 -1.227 385 HD1 PHE 50 HD1 PHE 50 1.580 -0.544 -1.195 386 HD2 PHE 50 HD2 PHE 50 5.116 -2.977 -1.324 387 HE1 PHE 50 HE1 PHE 50 0.177 -2.555 -1.491 388 HE2 PHE 50 HE2 PHE 50 3.711 -4.991 -1.625 389 HZ PHE 50 HZ PHE 50 1.241 -4.788 -1.710 390 H ASN 51 H ASN 51 6.380 1.155 0.954 391 HA ASN 51 HA ASN 51 7.564 -1.208 2.171 392 HB2 ASN 51 HB3 ASN 51 8.930 0.532 1.003 393 HB3 ASN 51 HB2 ASN 51 8.534 1.664 2.300 394 HD21 ASN 51 HD22 ASN 51 10.385 -1.248 1.512 395 HD22 ASN 51 HD21 ASN 51 11.287 -1.276 2.949 396 H LYS 52 H LYS 52 5.731 1.547 3.280 397 HA LYS 52 HA LYS 52 6.498 1.224 6.080 398 HB2 LYS 52 HB3 LYS 52 5.682 3.404 5.306 399 HB3 LYS 52 HB2 LYS 52 4.164 2.675 4.784 400 HG2 LYS 52 HG3 LYS 52 3.526 2.164 7.041 401 HG3 LYS 52 HG2 LYS 52 5.133 2.559 7.652 402 HD2 LYS 52 HD3 LYS 52 4.821 4.909 7.066 403 HD3 LYS 52 HD2 LYS 52 3.260 4.545 6.328 404 HE2 LYS 52 HE3 LYS 52 3.939 4.088 9.248 405 HE3 LYS 52 HE2 LYS 52 3.020 5.461 8.631 406 HZ1 LYS 52 HZ1 LYS 52 2.238 2.663 8.886 407 HZ2 LYS 52 HZ2 LYS 52 1.655 3.501 7.531 408 HZ3 LYS 52 HZ3 LYS 52 1.314 4.073 9.094 409 H ILE 53 H ILE 53 3.857 0.339 3.972 410 HA ILE 53 HA ILE 53 2.088 -0.901 5.750 411 HB ILE 53 HB ILE 53 2.709 -0.933 2.882 412 HG12 ILE 53 HG13 ILE 53 0.265 -0.952 2.671 413 HG13 ILE 53 HG12 ILE 53 0.116 -1.298 4.389 414 HG21 ILE 53 HG21 ILE 53 1.546 -3.459 4.061 415 HG22 ILE 53 HG22 ILE 53 3.002 -3.311 3.077 416 HG23 ILE 53 HG23 ILE 53 1.421 -3.011 2.362 417 HD11 ILE 53 HD11 ILE 53 0.196 0.904 4.830 418 HD12 ILE 53 HD12 ILE 53 0.352 1.245 3.114 419 HD13 ILE 53 HD13 ILE 53 1.790 1.017 4.102 420 H SER 54 H SER 54 5.022 -2.211 4.226 421 HA SER 54 HA SER 54 4.672 -4.827 5.494 422 HB2 SER 54 HB3 SER 54 5.827 -4.486 3.295 423 HB3 SER 54 HB2 SER 54 7.141 -3.689 4.156 424 HG SER 54 HG SER 54 6.352 -6.373 4.134 425 H GLN 55 H GLN 55 6.387 -1.854 6.337 426 HA GLN 55 HA GLN 55 8.133 -3.124 8.281 427 HB2 GLN 55 HB3 GLN 55 7.274 -0.265 7.779 428 HB3 GLN 55 HB2 GLN 55 8.294 -0.687 9.154 429 HG2 GLN 55 HG3 GLN 55 10.012 -1.568 7.711 430 HG3 GLN 55 HG2 GLN 55 8.972 -1.431 6.294 431 HE21 GLN 55 HE22 GLN 55 8.289 0.882 5.716 432 HE22 GLN 55 HE21 GLN 55 9.383 2.138 6.042 433 H LEU 56 H LEU 56 4.945 -1.593 8.396 434 HA LEU 56 HA LEU 56 4.754 -2.072 11.318 435 HB2 LEU 56 HB3 LEU 56 2.975 -0.706 9.285 436 HB3 LEU 56 HB2 LEU 56 2.431 -1.018 10.929 437 HG LEU 56 HG LEU 56 3.373 1.281 10.612 438 HD11 LEU 56 HD11 LEU 56 4.389 1.359 12.694 439 HD12 LEU 56 HD12 LEU 56 5.283 -0.137 12.453 440 HD13 LEU 56 HD13 LEU 56 3.556 -0.188 12.808 441 HD21 LEU 56 HD21 LEU 56 5.662 1.655 10.112 442 HD22 LEU 56 HD22 LEU 56 5.152 0.438 8.948 443 HD23 LEU 56 HD23 LEU 56 6.087 -0.034 10.365 444 H PHE 57 H PHE 57 3.683 -3.442 8.285 445 HA PHE 57 HA PHE 57 2.118 -5.515 9.805 446 HB2 PHE 57 HB3 PHE 57 1.520 -4.912 6.914 447 HB3 PHE 57 HB2 PHE 57 0.451 -5.530 8.170 448 HD1 PHE 57 HD1 PHE 57 0.705 -3.696 10.366 449 HD2 PHE 57 HD2 PHE 57 0.677 -2.831 6.159 450 HE1 PHE 57 HE1 PHE 57 -0.098 -1.402 10.843 451 HE2 PHE 57 HE2 PHE 57 -0.129 -0.540 6.644 452 HZ PHE 57 HZ PHE 57 -0.513 0.177 8.980 453 HA PRO 58 HA PRO 58 5.706 -7.271 7.190 454 HB2 PRO 58 HB2 PRO 58 7.015 -8.502 9.304 455 HB3 PRO 58 HB3 PRO 58 7.400 -6.870 8.720 456 HG2 PRO 58 HG3 PRO 58 5.684 -7.688 11.033 457 HG3 PRO 58 HG2 PRO 58 6.897 -6.396 10.936 458 HD2 PRO 58 HD3 PRO 58 4.261 -5.838 10.749 459 HD3 PRO 58 HD2 PRO 58 5.456 -4.949 9.774 460 H GLY 59 H GLY 59 5.082 -9.184 10.125 461 HA2 GLY 59 HA3 GLY 59 4.440 -11.540 8.551 462 HA3 GLY 59 HA2 GLY 59 4.329 -11.410 10.308 463 H MET 60 H MET 60 2.711 -8.868 8.785 464 HA MET 60 HA MET 60 0.431 -8.336 8.674 465 HB2 MET 60 HB3 MET 60 0.096 -11.244 7.884 466 HB3 MET 60 HB2 MET 60 -0.947 -9.888 7.455 467 HG2 MET 60 HG3 MET 60 0.977 -8.856 6.233 468 HG3 MET 60 HG2 MET 60 1.924 -10.303 6.575 469 HE1 MET 60 HE1 MET 60 -1.463 -9.709 3.586 470 HE2 MET 60 HE2 MET 60 -0.324 -8.524 4.239 471 HE3 MET 60 HE3 MET 60 -1.602 -9.178 5.260 472 H THR 61 H THR 61 -0.101 -7.980 10.838 473 HA THR 61 HA THR 61 -0.447 -10.059 12.784 474 HB THR 61 HB THR 61 -1.388 -8.356 14.191 475 HG1 THR 61 HG1 THR 61 -1.592 -6.495 12.145 476 HG21 THR 61 HG21 THR 61 0.239 -6.566 13.981 477 HG22 THR 61 HG22 THR 61 0.521 -6.973 12.288 478 HG23 THR 61 HG23 THR 61 1.020 -8.090 13.559 479 H GLY 62 H GLY 62 -3.017 -9.465 13.862 480 HA2 GLY 62 HA3 GLY 62 -4.647 -11.258 12.307 481 HA3 GLY 62 HA2 GLY 62 -5.200 -10.317 13.693 Start of MODEL 7 1 H2 PRO 1 H2 PRO 1 -15.265 -0.989 0.801 2 H3 PRO 1 H3 PRO 1 -15.245 -2.388 -0.169 3 HA PRO 1 HA PRO 1 -13.685 -3.214 1.156 4 HB2 PRO 1 HB2 PRO 1 -11.438 -1.604 0.929 5 HB3 PRO 1 HB3 PRO 1 -11.950 -2.760 -0.317 6 HG2 PRO 1 HG3 PRO 1 -12.291 0.194 -0.235 7 HG3 PRO 1 HG2 PRO 1 -12.055 -0.877 -1.629 8 HD2 PRO 1 HD3 PRO 1 -14.507 0.180 -0.902 9 HD3 PRO 1 HD2 PRO 1 -14.309 -1.304 -1.842 10 H GLU 2 H GLU 2 -15.473 -1.069 2.306 11 HA GLU 2 HA GLU 2 -14.105 0.597 4.133 12 HB2 GLU 2 HB3 GLU 2 -16.735 -0.845 4.586 13 HB3 GLU 2 HB2 GLU 2 -16.175 0.586 5.450 14 HG2 GLU 2 HG3 GLU 2 -16.599 0.478 2.449 15 HG3 GLU 2 HG2 GLU 2 -17.787 1.104 3.592 16 H GLU 3 H GLU 3 -14.613 -2.844 4.167 17 HA GLU 3 HA GLU 3 -14.242 -3.343 6.945 18 HB2 GLU 3 HB3 GLU 3 -13.227 -5.609 5.892 19 HB3 GLU 3 HB2 GLU 3 -14.955 -5.271 5.890 20 HG2 GLU 3 HG3 GLU 3 -14.910 -4.523 3.617 21 HG3 GLU 3 HG2 GLU 3 -13.148 -4.470 3.595 22 H VAL 4 H VAL 4 -11.757 -3.659 4.344 23 HA VAL 4 HA VAL 4 -9.627 -3.907 6.265 24 HB VAL 4 HB VAL 4 -9.419 -4.763 3.967 25 HG11 VAL 4 HG11 VAL 4 -9.201 -3.303 2.068 26 HG12 VAL 4 HG12 VAL 4 -9.225 -1.870 3.092 27 HG13 VAL 4 HG13 VAL 4 -10.680 -2.849 2.910 28 HG21 VAL 4 HG21 VAL 4 -7.398 -4.082 5.318 29 HG22 VAL 4 HG22 VAL 4 -7.411 -2.543 4.457 30 HG23 VAL 4 HG23 VAL 4 -7.144 -4.045 3.574 31 H ILE 5 H ILE 5 -10.843 -1.143 4.365 32 HA ILE 5 HA ILE 5 -8.920 0.768 5.073 33 HB ILE 5 HB ILE 5 -11.908 1.169 4.810 34 HG12 ILE 5 HG13 ILE 5 -9.693 1.624 2.783 35 HG13 ILE 5 HG12 ILE 5 -10.652 0.147 2.848 36 HG21 ILE 5 HG21 ILE 5 -9.575 3.108 4.872 37 HG22 ILE 5 HG22 ILE 5 -10.994 3.097 5.919 38 HG23 ILE 5 HG23 ILE 5 -11.157 3.540 4.223 39 HD11 ILE 5 HD11 ILE 5 -12.675 1.326 2.348 40 HD12 ILE 5 HD12 ILE 5 -11.470 1.911 1.203 41 HD13 ILE 5 HD13 ILE 5 -11.908 2.893 2.598 42 H SER 6 H SER 6 -11.448 -0.646 7.030 43 HA SER 6 HA SER 6 -11.427 1.307 9.134 44 HB2 SER 6 HB3 SER 6 -13.178 -0.462 8.855 45 HB3 SER 6 HB2 SER 6 -11.992 -1.665 9.354 46 HG SER 6 HG SER 6 -11.777 -0.465 11.316 47 H LYS 7 H LYS 7 -9.484 -1.592 8.505 48 HA LYS 7 HA LYS 7 -8.092 -1.447 11.050 49 HB2 LYS 7 HB3 LYS 7 -7.016 -3.398 10.404 50 HB3 LYS 7 HB2 LYS 7 -8.451 -3.477 9.396 51 HG2 LYS 7 HG3 LYS 7 -6.882 -3.886 7.750 52 HG3 LYS 7 HG2 LYS 7 -6.841 -2.135 7.682 53 HD2 LYS 7 HD3 LYS 7 -4.561 -2.607 7.876 54 HD3 LYS 7 HD2 LYS 7 -4.989 -2.408 9.572 55 HE2 LYS 7 HE3 LYS 7 -5.381 -4.922 9.653 56 HE3 LYS 7 HE2 LYS 7 -4.658 -5.003 8.048 57 HZ1 LYS 7 HZ1 LYS 7 -2.916 -5.376 9.544 58 HZ2 LYS 7 HZ2 LYS 7 -3.401 -4.121 10.576 59 HZ3 LYS 7 HZ3 LYS 7 -2.726 -3.759 9.059 60 H ILE 8 H ILE 8 -7.521 -0.084 7.860 61 HA ILE 8 HA ILE 8 -4.772 0.604 8.180 62 HB ILE 8 HB ILE 8 -6.806 2.305 6.711 63 HG12 ILE 8 HG13 ILE 8 -7.073 -0.136 6.120 64 HG13 ILE 8 HG12 ILE 8 -6.617 0.893 4.775 65 HG21 ILE 8 HG21 ILE 8 -3.855 1.763 6.308 66 HG22 ILE 8 HG22 ILE 8 -4.603 3.276 6.815 67 HG23 ILE 8 HG23 ILE 8 -4.863 2.670 5.180 68 HD11 ILE 8 HD11 ILE 8 -4.316 0.144 4.918 69 HD12 ILE 8 HD12 ILE 8 -5.372 -1.263 4.844 70 HD13 ILE 8 HD13 ILE 8 -4.667 -0.775 6.379 71 H MET 9 H MET 9 -7.632 1.929 9.626 72 HA MET 9 HA MET 9 -6.783 4.574 10.176 73 HB2 MET 9 HB3 MET 9 -8.461 4.622 11.871 74 HB3 MET 9 HB2 MET 9 -9.069 3.508 10.649 75 HG2 MET 9 HG3 MET 9 -7.933 1.650 12.079 76 HG3 MET 9 HG2 MET 9 -7.892 2.863 13.356 77 HE1 MET 9 HE1 MET 9 -11.402 3.532 14.382 78 HE2 MET 9 HE2 MET 9 -10.227 4.514 13.497 79 HE3 MET 9 HE3 MET 9 -9.696 3.476 14.818 80 H GLU 10 H GLU 10 -5.335 1.708 11.102 81 HA GLU 10 HA GLU 10 -4.429 2.359 13.753 82 HB2 GLU 10 HB3 GLU 10 -2.803 0.554 13.386 83 HB3 GLU 10 HB2 GLU 10 -4.397 0.069 12.808 84 HG2 GLU 10 HG3 GLU 10 -3.676 0.856 10.495 85 HG3 GLU 10 HG2 GLU 10 -2.043 1.012 11.143 86 H ASN 11 H ASN 11 -3.651 3.663 10.718 87 HA ASN 11 HA ASN 11 -1.454 5.235 11.886 88 HB2 ASN 11 HB3 ASN 11 -1.032 3.289 9.600 89 HB3 ASN 11 HB2 ASN 11 0.082 4.607 9.967 90 HD21 ASN 11 HD22 ASN 11 0.243 4.585 12.726 91 HD22 ASN 11 HD21 ASN 11 0.815 3.086 13.280 92 HA PRO 12 HA PRO 12 -4.310 7.631 9.087 93 HB2 PRO 12 HB2 PRO 12 -2.604 9.723 10.433 94 HB3 PRO 12 HB3 PRO 12 -4.342 9.767 10.059 95 HG2 PRO 12 HG3 PRO 12 -3.543 9.256 12.524 96 HG3 PRO 12 HG2 PRO 12 -4.883 8.332 11.814 97 HD2 PRO 12 HD3 PRO 12 -2.046 7.468 12.285 98 HD3 PRO 12 HD2 PRO 12 -3.541 6.508 12.370 99 H ASP 13 H ASP 13 -0.930 7.204 9.274 100 HA ASP 13 HA ASP 13 -0.117 8.980 7.138 101 HB2 ASP 13 HB3 ASP 13 1.440 8.022 8.860 102 HB3 ASP 13 HB2 ASP 13 1.234 6.441 8.106 103 H VAL 14 H VAL 14 -1.016 5.540 7.330 104 HA VAL 14 HA VAL 14 -0.605 5.085 4.471 105 HB VAL 14 HB VAL 14 -2.182 3.473 6.507 106 HG11 VAL 14 HG11 VAL 14 -1.798 1.615 4.915 107 HG12 VAL 14 HG12 VAL 14 -1.015 2.739 3.805 108 HG13 VAL 14 HG13 VAL 14 -2.725 2.915 4.179 109 HG21 VAL 14 HG21 VAL 14 0.683 3.138 5.562 110 HG22 VAL 14 HG22 VAL 14 -0.150 2.137 6.750 111 HG23 VAL 14 HG23 VAL 14 0.217 3.821 7.119 112 H ALA 15 H ALA 15 -3.315 5.823 6.600 113 HA ALA 15 HA ALA 15 -5.406 5.535 4.691 114 HB1 ALA 15 HB1 ALA 15 -5.636 5.893 7.187 115 HB2 ALA 15 HB2 ALA 15 -6.714 6.879 6.198 116 HB3 ALA 15 HB3 ALA 15 -5.265 7.593 6.906 117 H MET 16 H MET 16 -3.174 8.178 5.399 118 HA MET 16 HA MET 16 -4.431 10.053 3.549 119 HB2 MET 16 HB3 MET 16 -1.772 9.968 4.997 120 HB3 MET 16 HB2 MET 16 -2.166 11.251 3.853 121 HG2 MET 16 HG3 MET 16 -4.048 11.964 5.171 122 HG3 MET 16 HG2 MET 16 -3.931 10.547 6.214 123 HE1 MET 16 HE1 MET 16 -3.971 11.900 8.333 124 HE2 MET 16 HE2 MET 16 -4.154 13.393 7.401 125 HE3 MET 16 HE3 MET 16 -2.955 13.295 8.688 126 H ALA 17 H ALA 17 -1.827 7.687 3.480 127 HA ALA 17 HA ALA 17 -0.838 8.408 0.857 128 HB1 ALA 17 HB1 ALA 17 0.391 7.021 2.607 129 HB2 ALA 17 HB2 ALA 17 0.412 6.356 0.974 130 HB3 ALA 17 HB3 ALA 17 -0.682 5.687 2.185 131 H PHE 18 H PHE 18 -3.300 6.253 2.132 132 HA PHE 18 HA PHE 18 -3.925 4.778 -0.212 133 HB2 PHE 18 HB3 PHE 18 -5.309 5.583 2.293 134 HB3 PHE 18 HB2 PHE 18 -6.384 5.177 0.964 135 HD1 PHE 18 HD2 PHE 18 -3.019 3.700 1.688 136 HD2 PHE 18 HD1 PHE 18 -7.277 3.089 1.687 137 HE1 PHE 18 HE2 PHE 18 -2.680 1.296 2.170 138 HE2 PHE 18 HE1 PHE 18 -6.930 0.687 2.176 139 HZ PHE 18 HZ PHE 18 -4.632 -0.213 2.412 140 H GLN 19 H GLN 19 -4.265 8.134 0.465 141 HA GLN 19 HA GLN 19 -6.336 8.568 -1.610 142 HB2 GLN 19 HB3 GLN 19 -4.804 10.563 0.085 143 HB3 GLN 19 HB2 GLN 19 -6.201 10.919 -0.929 144 HG2 GLN 19 HG3 GLN 19 -6.239 8.949 1.377 145 HG3 GLN 19 HG2 GLN 19 -6.774 10.624 1.501 146 HE21 GLN 19 HE22 GLN 19 -8.527 8.311 1.866 147 HE22 GLN 19 HE21 GLN 19 -9.694 8.370 0.636 148 H ASN 20 H ASN 20 -3.479 7.591 -2.162 149 HA ASN 20 HA ASN 20 -2.607 9.792 -3.998 150 HB2 ASN 20 HB3 ASN 20 -1.153 7.581 -2.558 151 HB3 ASN 20 HB2 ASN 20 -0.471 8.210 -4.052 152 HD21 ASN 20 HD22 ASN 20 -1.850 9.475 -0.956 153 HD22 ASN 20 HD21 ASN 20 -0.735 10.746 -0.814 154 HA PRO 21 HA PRO 21 -4.110 7.172 -7.237 155 HB2 PRO 21 HB2 PRO 21 -2.647 8.046 -9.387 156 HB3 PRO 21 HB3 PRO 21 -3.941 9.013 -8.648 157 HG2 PRO 21 HG3 PRO 21 -0.980 9.187 -8.217 158 HG3 PRO 21 HG2 PRO 21 -2.154 10.494 -8.474 159 HD2 PRO 21 HD3 PRO 21 -1.264 9.842 -5.983 160 HD3 PRO 21 HD2 PRO 21 -2.923 10.420 -6.264 161 H ARG 22 H ARG 22 -0.535 7.446 -7.226 162 HA ARG 22 HA ARG 22 -0.062 4.976 -8.595 163 HB2 ARG 22 HB3 ARG 22 1.674 6.385 -6.543 164 HB3 ARG 22 HB2 ARG 22 2.220 5.135 -7.656 165 HG2 ARG 22 HG3 ARG 22 0.988 7.762 -8.546 166 HG3 ARG 22 HG2 ARG 22 2.724 7.499 -8.407 167 HD2 ARG 22 HD3 ARG 22 2.406 6.994 -10.660 168 HD3 ARG 22 HD2 ARG 22 2.188 5.391 -9.963 169 HE ARG 22 HE ARG 22 -0.071 5.494 -10.619 170 HH11 ARG 22 HH22 ARG 22 1.354 8.634 -10.468 171 HH12 ARG 22 HH21 ARG 22 -0.028 9.437 -11.134 172 HH21 ARG 22 HH11 ARG 22 -1.879 6.528 -11.492 173 HH22 ARG 22 HH12 ARG 22 -1.857 8.245 -11.713 174 H VAL 23 H VAL 23 -0.830 5.748 -5.285 175 HA VAL 23 HA VAL 23 -0.060 3.165 -4.188 176 HB VAL 23 HB VAL 23 -1.862 5.361 -3.121 177 HG11 VAL 23 HG11 VAL 23 -0.769 2.849 -1.818 178 HG12 VAL 23 HG12 VAL 23 -2.462 3.317 -1.986 179 HG13 VAL 23 HG13 VAL 23 -1.403 4.216 -0.901 180 HG21 VAL 23 HG21 VAL 23 1.042 4.625 -2.678 181 HG22 VAL 23 HG22 VAL 23 0.172 5.789 -1.681 182 HG23 VAL 23 HG23 VAL 23 0.427 6.103 -3.398 183 H GLN 24 H GLN 24 -3.241 4.669 -4.930 184 HA GLN 24 HA GLN 24 -4.828 2.387 -4.384 185 HB2 GLN 24 HB3 GLN 24 -5.189 4.529 -6.507 186 HB3 GLN 24 HB2 GLN 24 -6.431 3.359 -6.063 187 HG2 GLN 24 HG3 GLN 24 -5.121 5.235 -4.072 188 HG3 GLN 24 HG2 GLN 24 -6.634 5.601 -4.901 189 HE21 GLN 24 HE22 GLN 24 -5.171 3.641 -2.374 190 HE22 GLN 24 HE21 GLN 24 -6.617 2.950 -1.813 191 H ALA 25 H ALA 25 -2.885 3.266 -7.168 192 HA ALA 25 HA ALA 25 -3.741 1.026 -8.824 193 HB1 ALA 25 HB1 ALA 25 -2.837 3.070 -9.845 194 HB2 ALA 25 HB2 ALA 25 -1.797 1.700 -10.232 195 HB3 ALA 25 HB3 ALA 25 -1.316 2.847 -8.982 196 H ALA 26 H ALA 26 -1.268 1.632 -6.416 197 HA ALA 26 HA ALA 26 0.359 -0.675 -7.028 198 HB1 ALA 26 HB1 ALA 26 0.066 0.770 -4.377 199 HB2 ALA 26 HB2 ALA 26 1.140 1.287 -5.677 200 HB3 ALA 26 HB3 ALA 26 1.410 -0.259 -4.872 201 H LEU 27 H LEU 27 -2.209 -0.066 -4.615 202 HA LEU 27 HA LEU 27 -2.176 -2.795 -3.626 203 HB2 LEU 27 HB3 LEU 27 -4.046 -0.442 -3.337 204 HB3 LEU 27 HB2 LEU 27 -4.546 -2.032 -2.763 205 HG LEU 27 HG LEU 27 -2.524 -2.158 -1.350 206 HD11 LEU 27 HD11 LEU 27 -1.217 0.009 -1.058 207 HD12 LEU 27 HD12 LEU 27 -1.999 0.583 -2.531 208 HD13 LEU 27 HD13 LEU 27 -0.949 -0.832 -2.583 209 HD21 LEU 27 HD21 LEU 27 -4.169 0.370 -1.017 210 HD22 LEU 27 HD22 LEU 27 -3.173 -0.352 0.246 211 HD23 LEU 27 HD23 LEU 27 -4.569 -1.227 -0.384 212 H MET 28 H MET 28 -4.251 -1.004 -5.918 213 HA MET 28 HA MET 28 -6.015 -3.162 -6.510 214 HB2 MET 28 HB3 MET 28 -6.294 -0.737 -7.220 215 HB3 MET 28 HB2 MET 28 -5.088 -1.035 -8.470 216 HG2 MET 28 HG3 MET 28 -7.237 -1.345 -9.499 217 HG3 MET 28 HG2 MET 28 -6.558 -2.955 -9.270 218 HE1 MET 28 HE1 MET 28 -10.454 -3.233 -8.744 219 HE2 MET 28 HE2 MET 28 -9.074 -3.690 -9.751 220 HE3 MET 28 HE3 MET 28 -9.643 -2.023 -9.735 221 H GLU 29 H GLU 29 -2.890 -2.212 -7.916 222 HA GLU 29 HA GLU 29 -2.885 -4.371 -9.866 223 HB2 GLU 29 HB3 GLU 29 -1.569 -2.261 -10.136 224 HB3 GLU 29 HB2 GLU 29 -0.545 -2.766 -8.791 225 HG2 GLU 29 HG3 GLU 29 0.180 -4.737 -10.006 226 HG3 GLU 29 HG2 GLU 29 -0.965 -4.407 -11.306 227 H CYS 30 H CYS 30 -1.987 -4.045 -6.505 228 HA CYS 30 HA CYS 30 -0.113 -6.169 -6.281 229 HB2 CYS 30 HB3 CYS 30 -0.758 -4.561 -4.444 230 HB3 CYS 30 HB2 CYS 30 -2.247 -5.483 -4.239 231 HG CYS 30 HG CYS 30 -0.537 -7.611 -3.847 232 H SER 31 H SER 31 -3.649 -6.232 -6.424 233 HA SER 31 HA SER 31 -4.160 -8.855 -5.668 234 HB2 SER 31 HB3 SER 31 -5.450 -7.285 -7.911 235 HB3 SER 31 HB2 SER 31 -6.118 -8.751 -7.198 236 HG SER 31 HG SER 31 -6.897 -6.710 -6.307 237 H GLU 32 H GLU 32 -2.634 -7.676 -8.582 238 HA GLU 32 HA GLU 32 -2.934 -10.080 -10.150 239 HB2 GLU 32 HB3 GLU 32 -0.849 -7.877 -10.263 240 HB3 GLU 32 HB2 GLU 32 -1.042 -9.135 -11.484 241 HG2 GLU 32 HG3 GLU 32 -3.383 -8.391 -11.856 242 HG3 GLU 32 HG2 GLU 32 -3.141 -7.097 -10.681 243 H ASN 33 H ASN 33 -0.131 -8.790 -8.341 244 HA ASN 33 HA ASN 33 0.601 -11.204 -7.083 245 HB2 ASN 33 HB3 ASN 33 2.697 -11.594 -8.719 246 HB3 ASN 33 HB2 ASN 33 1.145 -12.356 -9.057 247 HD21 ASN 33 HD22 ASN 33 1.652 -8.868 -9.467 248 HD22 ASN 33 HD21 ASN 33 1.554 -8.878 -11.161 249 HA PRO 34 HA PRO 34 3.394 -8.460 -5.018 250 HB2 PRO 34 HB2 PRO 34 5.799 -9.989 -5.091 251 HB3 PRO 34 HB3 PRO 34 4.573 -10.008 -3.810 252 HG2 PRO 34 HG3 PRO 34 4.943 -11.876 -6.100 253 HG3 PRO 34 HG2 PRO 34 4.374 -12.206 -4.453 254 HD2 PRO 34 HD3 PRO 34 2.644 -12.139 -6.500 255 HD3 PRO 34 HD2 PRO 34 2.187 -11.466 -4.920 256 H MET 35 H MET 35 3.878 -9.423 -8.234 257 HA MET 35 HA MET 35 6.347 -8.078 -8.829 258 HB2 MET 35 HB3 MET 35 3.962 -8.673 -10.612 259 HB3 MET 35 HB2 MET 35 5.550 -8.159 -11.181 260 HG2 MET 35 HG3 MET 35 6.588 -10.164 -10.330 261 HG3 MET 35 HG2 MET 35 5.110 -10.637 -9.492 262 HE1 MET 35 HE1 MET 35 6.783 -9.706 -12.665 263 HE2 MET 35 HE2 MET 35 5.243 -9.153 -13.336 264 HE3 MET 35 HE3 MET 35 6.009 -10.610 -13.962 265 H ASN 36 H ASN 36 3.373 -6.893 -7.829 266 HA ASN 36 HA ASN 36 3.046 -4.550 -9.392 267 HB2 ASN 36 HB3 ASN 36 1.991 -3.625 -7.215 268 HB3 ASN 36 HB2 ASN 36 1.274 -5.085 -7.895 269 HD21 ASN 36 HD22 ASN 36 3.099 -3.809 -5.183 270 HD22 ASN 36 HD21 ASN 36 3.124 -5.245 -4.279 271 H ILE 37 H ILE 37 4.586 -4.824 -6.183 272 HA ILE 37 HA ILE 37 5.681 -2.205 -6.237 273 HB ILE 37 HB ILE 37 5.359 -3.809 -4.237 274 HG12 ILE 37 HG13 ILE 37 7.343 -2.817 -3.028 275 HG13 ILE 37 HG12 ILE 37 7.916 -2.207 -4.578 276 HG21 ILE 37 HG21 ILE 37 8.167 -4.684 -4.952 277 HG22 ILE 37 HG22 ILE 37 6.740 -5.640 -5.353 278 HG23 ILE 37 HG23 ILE 37 7.129 -5.302 -3.668 279 HD11 ILE 37 HD11 ILE 37 6.307 -0.568 -4.680 280 HD12 ILE 37 HD12 ILE 37 6.350 -0.751 -2.932 281 HD13 ILE 37 HD13 ILE 37 5.087 -1.546 -3.866 282 H MET 38 H MET 38 6.867 -5.248 -7.519 283 HA MET 38 HA MET 38 9.593 -4.546 -7.904 284 HB2 MET 38 HB3 MET 38 7.754 -6.281 -9.580 285 HB3 MET 38 HB2 MET 38 9.498 -6.185 -9.815 286 HG2 MET 38 HG3 MET 38 8.231 -6.927 -7.164 287 HG3 MET 38 HG2 MET 38 8.710 -8.122 -8.368 288 HE1 MET 38 HE1 MET 38 11.200 -9.234 -8.174 289 HE2 MET 38 HE2 MET 38 12.399 -8.026 -8.655 290 HE3 MET 38 HE3 MET 38 10.861 -8.134 -9.508 291 H LYS 39 H LYS 39 6.723 -3.340 -9.343 292 HA LYS 39 HA LYS 39 8.180 -2.149 -11.660 293 HB2 LYS 39 HB3 LYS 39 5.233 -2.248 -10.939 294 HB3 LYS 39 HB2 LYS 39 5.885 -1.443 -12.368 295 HG2 LYS 39 HG3 LYS 39 6.684 -3.509 -13.285 296 HG3 LYS 39 HG2 LYS 39 6.412 -4.366 -11.770 297 HD2 LYS 39 HD3 LYS 39 4.651 -4.856 -13.459 298 HD3 LYS 39 HD2 LYS 39 3.995 -4.104 -12.005 299 HE2 LYS 39 HE3 LYS 39 3.189 -3.186 -14.292 300 HE3 LYS 39 HE2 LYS 39 3.696 -2.011 -13.080 301 HZ1 LYS 39 HZ1 LYS 39 5.921 -2.039 -14.126 302 HZ2 LYS 39 HZ2 LYS 39 4.704 -1.458 -15.155 303 HZ3 LYS 39 HZ3 LYS 39 5.303 -3.035 -15.357 304 H TYR 40 H TYR 40 6.089 -1.178 -8.919 305 HA TYR 40 HA TYR 40 6.547 1.649 -9.335 306 HB2 TYR 40 HB3 TYR 40 5.593 0.211 -6.839 307 HB3 TYR 40 HB2 TYR 40 5.388 1.918 -7.214 308 HD1 TYR 40 HD1 TYR 40 4.285 2.440 -9.546 309 HD2 TYR 40 HD2 TYR 40 3.810 -1.248 -7.395 310 HE1 TYR 40 HE1 TYR 40 2.215 1.967 -10.821 311 HE2 TYR 40 HE2 TYR 40 1.743 -1.723 -8.672 312 HH TYR 40 HH TYR 40 0.898 -0.129 -11.474 313 H GLN 41 H GLN 41 8.658 -0.677 -8.509 314 HA GLN 41 HA GLN 41 9.972 0.109 -6.158 315 HB2 GLN 41 HB3 GLN 41 12.064 -0.740 -7.291 316 HB3 GLN 41 HB2 GLN 41 10.701 -1.857 -7.358 317 HG2 GLN 41 HG3 GLN 41 10.161 -1.090 -9.632 318 HG3 GLN 41 HG2 GLN 41 11.501 0.056 -9.572 319 HE21 GLN 41 HE22 GLN 41 11.522 -3.297 -8.310 320 HE22 GLN 41 HE21 GLN 41 12.733 -3.852 -9.362 321 H ASN 42 H ASN 42 9.755 1.730 -9.218 322 HA ASN 42 HA ASN 42 11.973 3.585 -8.644 323 HB2 ASN 42 HB3 ASN 42 9.857 3.549 -10.822 324 HB3 ASN 42 HB2 ASN 42 11.180 4.712 -10.732 325 HD21 ASN 42 HD22 ASN 42 10.355 1.918 -12.289 326 HD22 ASN 42 HD21 ASN 42 11.897 1.246 -12.519 327 H ASP 43 H ASP 43 8.526 3.354 -8.173 328 HA ASP 43 HA ASP 43 8.159 6.224 -7.687 329 HB2 ASP 43 HB3 ASP 43 6.387 4.508 -8.513 330 HB3 ASP 43 HB2 ASP 43 6.263 4.028 -6.823 331 H LYS 44 H LYS 44 9.734 6.611 -6.010 332 HA LYS 44 HA LYS 44 10.128 5.185 -3.669 333 HB2 LYS 44 HB3 LYS 44 11.380 7.244 -4.463 334 HB3 LYS 44 HB2 LYS 44 10.069 8.210 -3.785 335 HG2 LYS 44 HG3 LYS 44 10.482 6.999 -1.577 336 HG3 LYS 44 HG2 LYS 44 11.946 6.344 -2.307 337 HD2 LYS 44 HD3 LYS 44 11.294 9.287 -1.957 338 HD3 LYS 44 HD2 LYS 44 12.467 8.368 -1.014 339 HE2 LYS 44 HE3 LYS 44 13.829 9.403 -2.625 340 HE3 LYS 44 HE2 LYS 44 13.533 7.828 -3.361 341 HZ1 LYS 44 HZ1 LYS 44 11.418 9.490 -4.072 342 HZ2 LYS 44 HZ2 LYS 44 12.637 8.872 -5.077 343 HZ3 LYS 44 HZ3 LYS 44 12.844 10.381 -4.323 344 H GLU 45 H GLU 45 7.401 7.185 -4.534 345 HA GLU 45 HA GLU 45 6.368 7.602 -1.886 346 HB2 GLU 45 HB3 GLU 45 5.639 8.812 -3.999 347 HB3 GLU 45 HB2 GLU 45 4.749 7.357 -4.441 348 HG2 GLU 45 HG3 GLU 45 3.188 8.819 -3.341 349 HG3 GLU 45 HG2 GLU 45 3.558 7.526 -2.202 350 H VAL 46 H VAL 46 5.568 5.151 -4.370 351 HA VAL 46 HA VAL 46 3.743 3.698 -2.716 352 HB VAL 46 HB VAL 46 5.430 2.679 -5.019 353 HG11 VAL 46 HG11 VAL 46 4.462 0.837 -3.781 354 HG12 VAL 46 HG12 VAL 46 3.510 1.057 -5.248 355 HG13 VAL 46 HG13 VAL 46 2.900 1.650 -3.703 356 HG21 VAL 46 HG21 VAL 46 4.023 4.694 -5.546 357 HG22 VAL 46 HG22 VAL 46 2.604 3.783 -5.032 358 HG23 VAL 46 HG23 VAL 46 3.533 3.252 -6.433 359 H MET 47 H MET 47 7.250 3.418 -3.240 360 HA MET 47 HA MET 47 7.616 0.963 -1.824 361 HB2 MET 47 HB3 MET 47 9.485 3.324 -2.200 362 HB3 MET 47 HB2 MET 47 9.979 1.780 -1.506 363 HG2 MET 47 HG3 MET 47 9.152 0.663 -3.619 364 HG3 MET 47 HG2 MET 47 8.920 2.273 -4.300 365 HE1 MET 47 HE1 MET 47 11.534 0.135 -2.291 366 HE2 MET 47 HE2 MET 47 12.787 -0.006 -3.531 367 HE3 MET 47 HE3 MET 47 11.167 -0.626 -3.836 368 H ASP 48 H ASP 48 7.605 4.329 -0.723 369 HA ASP 48 HA ASP 48 8.356 3.880 1.978 370 HB2 ASP 48 HB3 ASP 48 6.585 5.946 0.651 371 HB3 ASP 48 HB2 ASP 48 6.984 6.017 2.368 372 H VAL 49 H VAL 49 5.092 4.201 0.607 373 HA VAL 49 HA VAL 49 3.748 3.516 3.050 374 HB VAL 49 HB VAL 49 2.715 4.875 1.299 375 HG11 VAL 49 HG11 VAL 49 2.559 2.402 -0.416 376 HG12 VAL 49 HG12 VAL 49 3.841 3.599 -0.563 377 HG13 VAL 49 HG13 VAL 49 2.176 4.063 -0.846 378 HG21 VAL 49 HG21 VAL 49 0.535 3.843 1.264 379 HG22 VAL 49 HG22 VAL 49 1.288 3.447 2.809 380 HG23 VAL 49 HG23 VAL 49 1.231 2.244 1.520 381 H PHE 50 H PHE 50 4.331 1.609 0.065 382 HA PHE 50 HA PHE 50 3.047 -0.731 1.071 383 HB2 PHE 50 HB3 PHE 50 4.077 0.025 -1.370 384 HB3 PHE 50 HB2 PHE 50 5.235 -1.203 -0.874 385 HD1 PHE 50 HD1 PHE 50 3.980 -3.303 0.371 386 HD2 PHE 50 HD2 PHE 50 2.264 -0.761 -2.640 387 HE1 PHE 50 HE1 PHE 50 2.333 -5.064 -0.180 388 HE2 PHE 50 HE2 PHE 50 0.624 -2.527 -3.194 389 HZ PHE 50 HZ PHE 50 0.655 -4.682 -1.966 390 H ASN 51 H ASN 51 6.376 0.433 1.344 391 HA ASN 51 HA ASN 51 7.412 -2.041 2.449 392 HB2 ASN 51 HB3 ASN 51 8.890 -0.332 1.405 393 HB3 ASN 51 HB2 ASN 51 8.501 0.779 2.721 394 HD21 ASN 51 HD22 ASN 51 10.315 -2.125 1.875 395 HD22 ASN 51 HD21 ASN 51 11.151 -2.252 3.347 396 H LYS 52 H LYS 52 5.699 0.726 3.685 397 HA LYS 52 HA LYS 52 6.402 0.224 6.477 398 HB2 LYS 52 HB3 LYS 52 5.730 2.478 5.808 399 HB3 LYS 52 HB2 LYS 52 4.189 1.868 5.203 400 HG2 LYS 52 HG3 LYS 52 3.440 1.297 7.405 401 HG3 LYS 52 HG2 LYS 52 5.048 1.543 8.089 402 HD2 LYS 52 HD3 LYS 52 4.918 3.947 7.555 403 HD3 LYS 52 HD2 LYS 52 3.320 3.709 6.848 404 HE2 LYS 52 HE3 LYS 52 2.424 3.000 8.999 405 HE3 LYS 52 HE2 LYS 52 4.027 3.083 9.728 406 HZ1 LYS 52 HZ1 LYS 52 3.491 5.165 10.243 407 HZ2 LYS 52 HZ2 LYS 52 2.154 5.185 9.199 408 HZ3 LYS 52 HZ3 LYS 52 3.705 5.531 8.597 409 H ILE 53 H ILE 53 3.795 -0.450 4.269 410 HA ILE 53 HA ILE 53 1.912 -1.643 5.982 411 HB ILE 53 HB ILE 53 2.541 -1.532 3.118 412 HG12 ILE 53 HG13 ILE 53 0.100 -1.378 2.909 413 HG13 ILE 53 HG12 ILE 53 -0.075 -1.816 4.604 414 HG21 ILE 53 HG21 ILE 53 1.209 -4.047 4.129 415 HG22 ILE 53 HG22 ILE 53 2.679 -3.930 3.159 416 HG23 ILE 53 HG23 ILE 53 1.125 -3.482 2.462 417 HD11 ILE 53 HD11 ILE 53 1.757 0.394 4.438 418 HD12 ILE 53 HD12 ILE 53 0.167 0.340 5.188 419 HD13 ILE 53 HD13 ILE 53 0.324 0.776 3.492 420 H SER 54 H SER 54 4.757 -3.050 4.385 421 HA SER 54 HA SER 54 4.215 -5.716 5.469 422 HB2 SER 54 HB3 SER 54 5.407 -5.401 3.321 423 HB3 SER 54 HB2 SER 54 6.728 -4.609 4.176 424 HG SER 54 HG SER 54 5.795 -7.205 4.824 425 H GLN 55 H GLN 55 6.271 -2.976 6.381 426 HA GLN 55 HA GLN 55 7.819 -4.427 8.332 427 HB2 GLN 55 HB3 GLN 55 7.174 -1.492 7.959 428 HB3 GLN 55 HB2 GLN 55 8.162 -2.055 9.306 429 HG2 GLN 55 HG3 GLN 55 8.789 -2.743 6.419 430 HG3 GLN 55 HG2 GLN 55 9.452 -1.323 7.227 431 HE21 GLN 55 HE22 GLN 55 11.226 -3.326 6.341 432 HE22 GLN 55 HE21 GLN 55 11.871 -4.141 7.682 433 H LEU 56 H LEU 56 4.760 -2.650 8.475 434 HA LEU 56 HA LEU 56 4.476 -3.240 11.369 435 HB2 LEU 56 HB3 LEU 56 2.912 -1.613 9.358 436 HB3 LEU 56 HB2 LEU 56 2.221 -2.008 10.931 437 HG LEU 56 HG LEU 56 4.047 -0.901 12.082 438 HD11 LEU 56 HD11 LEU 56 5.762 0.364 10.647 439 HD12 LEU 56 HD12 LEU 56 5.227 -0.645 9.304 440 HD13 LEU 56 HD13 LEU 56 5.952 -1.386 10.731 441 HD21 LEU 56 HD21 LEU 56 3.137 0.848 9.777 442 HD22 LEU 56 HD22 LEU 56 3.642 1.390 11.378 443 HD23 LEU 56 HD23 LEU 56 2.146 0.476 11.188 444 H PHE 57 H PHE 57 3.418 -4.456 8.274 445 HA PHE 57 HA PHE 57 1.722 -6.488 9.683 446 HB2 PHE 57 HB3 PHE 57 1.031 -5.662 6.867 447 HB3 PHE 57 HB2 PHE 57 -0.012 -6.302 8.130 448 HD1 PHE 57 HD1 PHE 57 0.285 -4.655 10.395 449 HD2 PHE 57 HD2 PHE 57 0.393 -3.478 6.268 450 HE1 PHE 57 HE1 PHE 57 -0.388 -2.352 11.033 451 HE2 PHE 57 HE2 PHE 57 -0.282 -1.181 6.909 452 HZ PHE 57 HZ PHE 57 -0.669 -0.618 9.288 453 HA PRO 58 HA PRO 58 5.413 -8.339 7.366 454 HB2 PRO 58 HB2 PRO 58 4.510 -10.376 9.403 455 HB3 PRO 58 HB3 PRO 58 6.158 -10.005 8.848 456 HG2 PRO 58 HG3 PRO 58 5.298 -9.058 11.162 457 HG3 PRO 58 HG2 PRO 58 6.266 -8.036 10.081 458 HD2 PRO 58 HD3 PRO 58 3.332 -7.899 10.662 459 HD3 PRO 58 HD2 PRO 58 4.456 -6.594 10.220 460 H GLY 59 H GLY 59 4.074 -8.476 5.465 461 HA2 GLY 59 HA3 GLY 59 3.216 -10.014 3.818 462 HA3 GLY 59 HA2 GLY 59 2.719 -11.106 5.115 463 H MET 60 H MET 60 0.715 -10.770 6.124 464 HA MET 60 HA MET 60 -0.838 -8.380 5.916 465 HB2 MET 60 HB3 MET 60 -1.068 -8.918 3.555 466 HB3 MET 60 HB2 MET 60 -1.526 -10.575 3.937 467 HG2 MET 60 HG3 MET 60 -3.615 -9.881 4.872 468 HG3 MET 60 HG2 MET 60 -3.118 -8.189 4.912 469 HE1 MET 60 HE1 MET 60 -2.314 -6.956 2.968 470 HE2 MET 60 HE2 MET 60 -4.029 -6.521 2.945 471 HE3 MET 60 HE3 MET 60 -3.193 -6.906 1.443 472 H THR 61 H THR 61 -1.863 -8.577 7.844 473 HA THR 61 HA THR 61 -2.377 -11.121 9.102 474 HB THR 61 HB THR 61 -3.616 -9.769 10.778 475 HG1 THR 61 HG1 THR 61 -4.575 -8.219 9.581 476 HG21 THR 61 HG21 THR 61 -1.045 -8.444 9.877 477 HG22 THR 61 HG22 THR 61 -1.127 -9.929 10.825 478 HG23 THR 61 HG23 THR 61 -1.726 -8.415 11.503 479 H GLY 62 H GLY 62 -4.374 -8.848 7.253 480 HA2 GLY 62 HA3 GLY 62 -6.873 -10.192 7.732 481 HA3 GLY 62 HA2 GLY 62 -6.553 -9.077 6.403 Start of MODEL 8 1 H2 PRO 1 H2 PRO 1 -11.678 -0.373 0.970 2 H3 PRO 1 H3 PRO 1 -12.466 0.101 -0.464 3 HA PRO 1 HA PRO 1 -14.426 -0.676 0.198 4 HB2 PRO 1 HB2 PRO 1 -13.374 -3.053 1.694 5 HB3 PRO 1 HB3 PRO 1 -14.696 -2.961 0.509 6 HG2 PRO 1 HG3 PRO 1 -12.228 -3.936 -0.092 7 HG3 PRO 1 HG2 PRO 1 -13.281 -3.146 -1.281 8 HD2 PRO 1 HD3 PRO 1 -10.802 -2.120 -0.028 9 HD3 PRO 1 HD2 PRO 1 -11.587 -1.615 -1.528 10 H GLU 2 H GLU 2 -15.706 -0.472 2.094 11 HA GLU 2 HA GLU 2 -14.543 1.053 4.216 12 HB2 GLU 2 HB3 GLU 2 -17.156 -0.485 4.277 13 HB3 GLU 2 HB2 GLU 2 -16.718 0.889 5.292 14 HG2 GLU 2 HG3 GLU 2 -16.515 2.297 3.249 15 HG3 GLU 2 HG2 GLU 2 -17.055 0.926 2.279 16 H GLU 3 H GLU 3 -14.969 -2.378 3.750 17 HA GLU 3 HA GLU 3 -14.770 -3.190 6.490 18 HB2 GLU 3 HB3 GLU 3 -15.526 -4.702 4.693 19 HB3 GLU 3 HB2 GLU 3 -13.913 -4.664 3.981 20 HG2 GLU 3 HG3 GLU 3 -12.947 -5.749 5.900 21 HG3 GLU 3 HG2 GLU 3 -14.440 -5.575 6.823 22 H VAL 4 H VAL 4 -12.213 -3.256 3.957 23 HA VAL 4 HA VAL 4 -10.144 -3.639 5.972 24 HB VAL 4 HB VAL 4 -9.961 -4.531 3.658 25 HG11 VAL 4 HG11 VAL 4 -9.358 -1.697 2.778 26 HG12 VAL 4 HG12 VAL 4 -10.970 -2.398 2.622 27 HG13 VAL 4 HG13 VAL 4 -9.606 -3.125 1.776 28 HG21 VAL 4 HG21 VAL 4 -7.957 -4.095 5.100 29 HG22 VAL 4 HG22 VAL 4 -7.791 -2.518 4.327 30 HG23 VAL 4 HG23 VAL 4 -7.605 -3.991 3.375 31 H ILE 5 H ILE 5 -11.024 -0.879 3.852 32 HA ILE 5 HA ILE 5 -9.073 0.938 4.660 33 HB ILE 5 HB ILE 5 -11.994 1.500 4.100 34 HG12 ILE 5 HG13 ILE 5 -9.570 1.754 2.289 35 HG13 ILE 5 HG12 ILE 5 -10.599 0.324 2.318 36 HG21 ILE 5 HG21 ILE 5 -11.051 3.797 3.490 37 HG22 ILE 5 HG22 ILE 5 -9.574 3.315 4.322 38 HG23 ILE 5 HG23 ILE 5 -11.092 3.430 5.212 39 HD11 ILE 5 HD11 ILE 5 -11.476 3.151 1.656 40 HD12 ILE 5 HD12 ILE 5 -12.562 1.767 1.781 41 HD13 ILE 5 HD13 ILE 5 -11.329 1.809 0.521 42 H SER 6 H SER 6 -11.826 -0.206 6.516 43 HA SER 6 HA SER 6 -11.778 1.897 8.489 44 HB2 SER 6 HB3 SER 6 -13.016 0.297 9.911 45 HB3 SER 6 HB2 SER 6 -13.688 0.348 8.285 46 HG SER 6 HG SER 6 -12.229 -1.648 9.581 47 H LYS 7 H LYS 7 -10.087 -1.197 8.148 48 HA LYS 7 HA LYS 7 -8.771 -0.984 10.734 49 HB2 LYS 7 HB3 LYS 7 -7.861 -3.071 10.279 50 HB3 LYS 7 HB2 LYS 7 -9.273 -3.104 9.240 51 HG2 LYS 7 HG3 LYS 7 -7.741 -3.771 7.656 52 HG3 LYS 7 HG2 LYS 7 -7.475 -2.050 7.486 53 HD2 LYS 7 HD3 LYS 7 -5.315 -3.079 7.706 54 HD3 LYS 7 HD2 LYS 7 -5.635 -2.238 9.216 55 HE2 LYS 7 HE3 LYS 7 -5.829 -4.213 10.424 56 HE3 LYS 7 HE2 LYS 7 -6.480 -5.114 9.056 57 HZ1 LYS 7 HZ1 LYS 7 -4.123 -4.708 8.089 58 HZ2 LYS 7 HZ2 LYS 7 -4.380 -5.959 9.204 59 HZ3 LYS 7 HZ3 LYS 7 -3.690 -4.493 9.718 60 H ILE 8 H ILE 8 -8.030 0.060 7.474 61 HA ILE 8 HA ILE 8 -5.236 0.529 7.748 62 HB ILE 8 HB ILE 8 -7.261 2.148 6.179 63 HG12 ILE 8 HG13 ILE 8 -7.400 -0.258 5.663 64 HG13 ILE 8 HG12 ILE 8 -6.741 0.639 4.304 65 HG21 ILE 8 HG21 ILE 8 -4.263 1.832 5.919 66 HG22 ILE 8 HG22 ILE 8 -5.154 3.311 6.279 67 HG23 ILE 8 HG23 ILE 8 -5.285 2.569 4.686 68 HD11 ILE 8 HD11 ILE 8 -4.420 -0.018 5.340 69 HD12 ILE 8 HD12 ILE 8 -5.333 -1.221 4.437 70 HD13 ILE 8 HD13 ILE 8 -5.355 -1.241 6.195 71 H MET 9 H MET 9 -7.950 2.162 9.145 72 HA MET 9 HA MET 9 -6.873 4.760 9.526 73 HB2 MET 9 HB3 MET 9 -8.535 5.049 11.220 74 HB3 MET 9 HB2 MET 9 -9.245 3.950 10.041 75 HG2 MET 9 HG3 MET 9 -8.309 2.048 11.547 76 HG3 MET 9 HG2 MET 9 -8.135 3.300 12.775 77 HE1 MET 9 HE1 MET 9 -9.859 4.130 14.229 78 HE2 MET 9 HE2 MET 9 -11.551 4.373 13.774 79 HE3 MET 9 HE3 MET 9 -10.270 5.183 12.878 80 H GLU 10 H GLU 10 -5.681 1.837 10.619 81 HA GLU 10 HA GLU 10 -4.762 2.464 13.246 82 HB2 GLU 10 HB3 GLU 10 -3.144 0.639 12.875 83 HB3 GLU 10 HB2 GLU 10 -4.750 0.183 12.308 84 HG2 GLU 10 HG3 GLU 10 -4.059 0.908 9.994 85 HG3 GLU 10 HG2 GLU 10 -2.422 1.130 10.608 86 H ASN 11 H ASN 11 -3.936 3.855 10.292 87 HA ASN 11 HA ASN 11 -1.733 5.355 11.510 88 HB2 ASN 11 HB3 ASN 11 -1.286 3.314 9.323 89 HB3 ASN 11 HB2 ASN 11 -0.213 4.702 9.503 90 HD21 ASN 11 HD22 ASN 11 1.079 4.844 11.496 91 HD22 ASN 11 HD21 ASN 11 1.320 3.478 12.475 92 HA PRO 12 HA PRO 12 -4.497 7.809 8.672 93 HB2 PRO 12 HB2 PRO 12 -2.752 9.859 10.034 94 HB3 PRO 12 HB3 PRO 12 -4.483 9.950 9.635 95 HG2 PRO 12 HG3 PRO 12 -3.737 9.418 12.111 96 HG3 PRO 12 HG2 PRO 12 -5.089 8.528 11.380 97 HD2 PRO 12 HD3 PRO 12 -2.284 7.591 11.901 98 HD3 PRO 12 HD2 PRO 12 -3.805 6.668 11.952 99 H ASP 13 H ASP 13 -1.120 7.344 8.907 100 HA ASP 13 HA ASP 13 -0.269 9.074 6.745 101 HB2 ASP 13 HB3 ASP 13 1.254 8.145 8.517 102 HB3 ASP 13 HB2 ASP 13 1.061 6.552 7.785 103 H VAL 14 H VAL 14 -1.172 5.646 7.010 104 HA VAL 14 HA VAL 14 -0.741 5.126 4.163 105 HB VAL 14 HB VAL 14 -2.189 3.547 6.316 106 HG11 VAL 14 HG11 VAL 14 -1.851 1.637 4.707 107 HG12 VAL 14 HG12 VAL 14 -1.361 2.820 3.493 108 HG13 VAL 14 HG13 VAL 14 -2.996 2.852 4.149 109 HG21 VAL 14 HG21 VAL 14 0.263 3.922 6.671 110 HG22 VAL 14 HG22 VAL 14 0.566 3.168 5.105 111 HG23 VAL 14 HG23 VAL 14 -0.144 2.225 6.415 112 H ALA 15 H ALA 15 -3.475 5.819 6.284 113 HA ALA 15 HA ALA 15 -5.554 5.417 4.384 114 HB1 ALA 15 HB1 ALA 15 -5.772 5.817 6.884 115 HB2 ALA 15 HB2 ALA 15 -6.919 6.700 5.878 116 HB3 ALA 15 HB3 ALA 15 -5.515 7.529 6.550 117 H MET 16 H MET 16 -3.478 8.207 5.066 118 HA MET 16 HA MET 16 -4.829 9.950 3.153 119 HB2 MET 16 HB3 MET 16 -2.300 10.070 4.788 120 HB3 MET 16 HB2 MET 16 -2.515 11.214 3.464 121 HG2 MET 16 HG3 MET 16 -3.318 12.040 5.723 122 HG3 MET 16 HG2 MET 16 -4.529 12.095 4.443 123 HE1 MET 16 HE1 MET 16 -5.983 12.449 6.798 124 HE2 MET 16 HE2 MET 16 -4.591 11.982 7.786 125 HE3 MET 16 HE3 MET 16 -6.144 11.182 8.012 126 H ALA 17 H ALA 17 -2.061 7.775 3.177 127 HA ALA 17 HA ALA 17 -1.089 8.501 0.550 128 HB1 ALA 17 HB1 ALA 17 0.178 7.224 2.381 129 HB2 ALA 17 HB2 ALA 17 0.328 6.582 0.745 130 HB3 ALA 17 HB3 ALA 17 -0.756 5.808 1.900 131 H PHE 18 H PHE 18 -3.431 6.222 1.832 132 HA PHE 18 HA PHE 18 -3.911 4.639 -0.471 133 HB2 PHE 18 HB3 PHE 18 -5.384 5.417 1.990 134 HB3 PHE 18 HB2 PHE 18 -6.416 4.920 0.657 135 HD1 PHE 18 HD2 PHE 18 -2.983 3.676 1.496 136 HD2 PHE 18 HD1 PHE 18 -7.188 2.785 1.369 137 HE1 PHE 18 HE2 PHE 18 -2.504 1.305 2.033 138 HE2 PHE 18 HE1 PHE 18 -6.702 0.420 1.912 139 HZ PHE 18 HZ PHE 18 -4.360 -0.324 2.239 140 H GLN 19 H GLN 19 -4.618 7.968 0.190 141 HA GLN 19 HA GLN 19 -6.635 8.214 -1.943 142 HB2 GLN 19 HB3 GLN 19 -5.214 10.343 -0.315 143 HB3 GLN 19 HB2 GLN 19 -6.611 10.602 -1.360 144 HG2 GLN 19 HG3 GLN 19 -7.952 9.078 0.025 145 HG3 GLN 19 HG2 GLN 19 -6.556 8.774 1.059 146 HE21 GLN 19 HE22 GLN 19 -7.213 11.989 -0.277 147 HE22 GLN 19 HE21 GLN 19 -7.626 12.712 1.202 148 H ASN 20 H ASN 20 -3.695 7.396 -2.420 149 HA ASN 20 HA ASN 20 -2.980 9.541 -4.385 150 HB2 ASN 20 HB3 ASN 20 -1.290 7.434 -3.007 151 HB3 ASN 20 HB2 ASN 20 -0.697 8.448 -4.319 152 HD21 ASN 20 HD22 ASN 20 -2.727 9.163 -1.414 153 HD22 ASN 20 HD21 ASN 20 -1.747 10.436 -0.867 154 HA PRO 21 HA PRO 21 -4.142 6.518 -7.431 155 HB2 PRO 21 HB2 PRO 21 -2.793 7.445 -9.641 156 HB3 PRO 21 HB3 PRO 21 -4.241 8.239 -8.985 157 HG2 PRO 21 HG3 PRO 21 -1.362 8.946 -8.591 158 HG3 PRO 21 HG2 PRO 21 -2.748 10.009 -8.894 159 HD2 PRO 21 HD3 PRO 21 -1.711 9.645 -6.390 160 HD3 PRO 21 HD2 PRO 21 -3.439 9.968 -6.667 161 H ARG 22 H ARG 22 -0.639 7.302 -7.418 162 HA ARG 22 HA ARG 22 0.240 4.888 -8.646 163 HB2 ARG 22 HB3 ARG 22 1.522 6.847 -6.737 164 HB3 ARG 22 HB2 ARG 22 2.371 5.363 -7.160 165 HG2 ARG 22 HG3 ARG 22 3.076 7.135 -8.673 166 HG3 ARG 22 HG2 ARG 22 2.128 5.960 -9.579 167 HD2 ARG 22 HD3 ARG 22 0.185 7.382 -9.534 168 HD3 ARG 22 HD2 ARG 22 0.952 8.486 -8.390 169 HE ARG 22 HE ARG 22 1.348 8.470 -11.267 170 HH11 ARG 22 HH22 ARG 22 2.786 9.078 -8.188 171 HH12 ARG 22 HH21 ARG 22 3.933 10.221 -8.803 172 HH21 ARG 22 HH11 ARG 22 2.837 9.959 -12.082 173 HH22 ARG 22 HH12 ARG 22 3.962 10.719 -11.006 174 H VAL 23 H VAL 23 -0.728 5.616 -5.350 175 HA VAL 23 HA VAL 23 0.210 3.098 -4.231 176 HB VAL 23 HB VAL 23 -1.819 5.116 -3.214 177 HG11 VAL 23 HG11 VAL 23 -1.325 3.984 -0.990 178 HG12 VAL 23 HG12 VAL 23 -0.549 2.692 -1.906 179 HG13 VAL 23 HG13 VAL 23 -2.269 3.016 -2.121 180 HG21 VAL 23 HG21 VAL 23 1.082 4.616 -2.475 181 HG22 VAL 23 HG22 VAL 23 0.036 5.853 -1.779 182 HG23 VAL 23 HG23 VAL 23 0.512 5.950 -3.475 183 H GLN 24 H GLN 24 -3.038 4.361 -5.090 184 HA GLN 24 HA GLN 24 -4.483 1.973 -4.612 185 HB2 GLN 24 HB3 GLN 24 -5.505 4.197 -5.178 186 HB3 GLN 24 HB2 GLN 24 -4.988 3.964 -6.849 187 HG2 GLN 24 HG3 GLN 24 -6.349 1.958 -7.045 188 HG3 GLN 24 HG2 GLN 24 -6.777 2.040 -5.335 189 HE21 GLN 24 HE22 GLN 24 -7.761 4.368 -4.743 190 HE22 GLN 24 HE21 GLN 24 -8.920 4.949 -5.839 191 H ALA 25 H ALA 25 -2.502 2.987 -7.331 192 HA ALA 25 HA ALA 25 -3.209 0.779 -9.070 193 HB1 ALA 25 HB1 ALA 25 -0.707 2.501 -9.038 194 HB2 ALA 25 HB2 ALA 25 -2.197 2.908 -9.890 195 HB3 ALA 25 HB3 ALA 25 -1.259 1.497 -10.379 196 H ALA 26 H ALA 26 -0.863 1.307 -6.512 197 HA ALA 26 HA ALA 26 0.759 -1.010 -7.070 198 HB1 ALA 26 HB1 ALA 26 1.664 -0.673 -4.841 199 HB2 ALA 26 HB2 ALA 26 0.286 0.331 -4.391 200 HB3 ALA 26 HB3 ALA 26 1.442 0.908 -5.590 201 H LEU 27 H LEU 27 -2.037 -0.426 -4.942 202 HA LEU 27 HA LEU 27 -2.146 -3.160 -3.971 203 HB2 LEU 27 HB3 LEU 27 -4.305 -1.031 -4.052 204 HB3 LEU 27 HB2 LEU 27 -4.370 -2.514 -3.105 205 HG LEU 27 HG LEU 27 -2.097 -0.535 -2.778 206 HD11 LEU 27 HD11 LEU 27 -3.354 0.404 -0.853 207 HD12 LEU 27 HD12 LEU 27 -4.754 -0.565 -1.315 208 HD13 LEU 27 HD13 LEU 27 -4.169 0.707 -2.388 209 HD21 LEU 27 HD21 LEU 27 -2.088 -1.578 -0.465 210 HD22 LEU 27 HD22 LEU 27 -1.684 -2.697 -1.761 211 HD23 LEU 27 HD23 LEU 27 -3.291 -2.727 -1.043 212 H MET 28 H MET 28 -3.973 -1.326 -6.432 213 HA MET 28 HA MET 28 -5.667 -3.450 -7.257 214 HB2 MET 28 HB3 MET 28 -5.817 -1.015 -7.976 215 HB3 MET 28 HB2 MET 28 -4.482 -1.332 -9.083 216 HG2 MET 28 HG3 MET 28 -6.505 -1.595 -10.351 217 HG3 MET 28 HG2 MET 28 -5.888 -3.220 -10.056 218 HE1 MET 28 HE1 MET 28 -8.177 -4.478 -10.425 219 HE2 MET 28 HE2 MET 28 -8.606 -2.877 -11.042 220 HE3 MET 28 HE3 MET 28 -9.705 -3.732 -9.963 221 H GLU 29 H GLU 29 -2.376 -2.560 -8.236 222 HA GLU 29 HA GLU 29 -2.157 -4.689 -10.207 223 HB2 GLU 29 HB3 GLU 29 -0.764 -2.572 -10.193 224 HB3 GLU 29 HB2 GLU 29 0.087 -3.217 -8.791 225 HG2 GLU 29 HG3 GLU 29 1.402 -3.787 -10.723 226 HG3 GLU 29 HG2 GLU 29 0.625 -5.273 -10.187 227 H CYS 30 H CYS 30 -1.539 -4.346 -6.752 228 HA CYS 30 HA CYS 30 0.145 -6.586 -6.339 229 HB2 CYS 30 HB3 CYS 30 -0.586 -4.911 -4.591 230 HB3 CYS 30 HB2 CYS 30 -2.127 -5.762 -4.507 231 HG CYS 30 HG CYS 30 0.086 -7.755 -4.136 232 H SER 31 H SER 31 -3.373 -6.442 -6.752 233 HA SER 31 HA SER 31 -4.081 -9.037 -6.061 234 HB2 SER 31 HB3 SER 31 -5.964 -8.792 -7.604 235 HB3 SER 31 HB2 SER 31 -5.685 -7.274 -6.756 236 HG SER 31 HG SER 31 -5.331 -6.396 -8.622 237 H GLU 32 H GLU 32 -2.299 -7.925 -8.860 238 HA GLU 32 HA GLU 32 -2.634 -10.333 -10.436 239 HB2 GLU 32 HB3 GLU 32 -0.469 -8.207 -10.501 240 HB3 GLU 32 HB2 GLU 32 -0.694 -9.457 -11.725 241 HG2 GLU 32 HG3 GLU 32 -3.018 -8.606 -12.101 242 HG3 GLU 32 HG2 GLU 32 -2.678 -7.289 -10.977 243 H ASN 33 H ASN 33 0.148 -9.101 -8.541 244 HA ASN 33 HA ASN 33 0.741 -11.506 -7.209 245 HB2 ASN 33 HB3 ASN 33 2.855 -12.063 -8.752 246 HB3 ASN 33 HB2 ASN 33 1.276 -12.741 -9.133 247 HD21 ASN 33 HD22 ASN 33 2.004 -12.803 -11.440 248 HD22 ASN 33 HD21 ASN 33 1.971 -11.381 -12.366 249 HA PRO 34 HA PRO 34 3.668 -8.900 -5.091 250 HB2 PRO 34 HB2 PRO 34 5.726 -11.022 -5.684 251 HB3 PRO 34 HB3 PRO 34 5.384 -10.188 -4.151 252 HG2 PRO 34 HG3 PRO 34 4.505 -12.654 -4.559 253 HG3 PRO 34 HG2 PRO 34 3.487 -11.457 -3.735 254 HD2 PRO 34 HD3 PRO 34 3.232 -12.540 -6.514 255 HD3 PRO 34 HD2 PRO 34 1.971 -11.960 -5.405 256 H MET 35 H MET 35 4.117 -9.851 -8.340 257 HA MET 35 HA MET 35 6.619 -8.548 -8.903 258 HB2 MET 35 HB3 MET 35 5.439 -10.259 -10.362 259 HB3 MET 35 HB2 MET 35 4.300 -8.996 -10.814 260 HG2 MET 35 HG3 MET 35 7.241 -8.427 -11.135 261 HG3 MET 35 HG2 MET 35 6.461 -9.487 -12.303 262 HE1 MET 35 HE1 MET 35 7.783 -6.879 -13.350 263 HE2 MET 35 HE2 MET 35 6.509 -6.437 -14.495 264 HE3 MET 35 HE3 MET 35 6.917 -8.131 -14.236 265 H ASN 36 H ASN 36 3.629 -7.331 -7.989 266 HA ASN 36 HA ASN 36 3.333 -5.000 -9.567 267 HB2 ASN 36 HB3 ASN 36 2.197 -4.045 -7.519 268 HB3 ASN 36 HB2 ASN 36 1.592 -5.627 -8.007 269 HD21 ASN 36 HD22 ASN 36 2.133 -7.479 -6.654 270 HD22 ASN 36 HD21 ASN 36 2.779 -7.279 -5.098 271 H ILE 37 H ILE 37 5.003 -5.370 -6.436 272 HA ILE 37 HA ILE 37 6.013 -2.708 -6.393 273 HB ILE 37 HB ILE 37 5.813 -4.455 -4.479 274 HG12 ILE 37 HG13 ILE 37 7.772 -3.407 -3.267 275 HG13 ILE 37 HG12 ILE 37 8.245 -2.664 -4.792 276 HG21 ILE 37 HG21 ILE 37 7.683 -5.864 -4.040 277 HG22 ILE 37 HG22 ILE 37 8.656 -5.100 -5.296 278 HG23 ILE 37 HG23 ILE 37 7.287 -6.121 -5.739 279 HD11 ILE 37 HD11 ILE 37 5.404 -2.247 -3.962 280 HD12 ILE 37 HD12 ILE 37 6.535 -1.133 -4.731 281 HD13 ILE 37 HD13 ILE 37 6.635 -1.435 -3.001 282 H MET 38 H MET 38 7.311 -5.680 -7.782 283 HA MET 38 HA MET 38 9.978 -4.898 -8.221 284 HB2 MET 38 HB3 MET 38 8.124 -6.516 -9.991 285 HB3 MET 38 HB2 MET 38 9.862 -6.388 -10.251 286 HG2 MET 38 HG3 MET 38 8.654 -7.339 -7.640 287 HG3 MET 38 HG2 MET 38 9.122 -8.434 -8.940 288 HE1 MET 38 HE1 MET 38 10.525 -9.583 -7.025 289 HE2 MET 38 HE2 MET 38 10.185 -8.301 -5.856 290 HE3 MET 38 HE3 MET 38 11.845 -8.816 -6.145 291 H LYS 39 H LYS 39 7.090 -3.590 -9.554 292 HA LYS 39 HA LYS 39 8.543 -2.252 -11.792 293 HB2 LYS 39 HB3 LYS 39 5.597 -2.331 -11.065 294 HB3 LYS 39 HB2 LYS 39 6.273 -1.500 -12.467 295 HG2 LYS 39 HG3 LYS 39 7.052 -3.571 -13.422 296 HG3 LYS 39 HG2 LYS 39 6.669 -4.459 -11.948 297 HD2 LYS 39 HD3 LYS 39 4.926 -4.858 -13.617 298 HD3 LYS 39 HD2 LYS 39 4.261 -3.930 -12.276 299 HE2 LYS 39 HE3 LYS 39 4.215 -1.924 -13.536 300 HE3 LYS 39 HE2 LYS 39 5.350 -2.545 -14.736 301 HZ1 LYS 39 HZ1 LYS 39 3.095 -2.544 -15.582 302 HZ2 LYS 39 HZ2 LYS 39 2.581 -3.522 -14.295 303 HZ3 LYS 39 HZ3 LYS 39 3.674 -4.135 -15.442 304 H TYR 40 H TYR 40 6.455 -1.423 -8.998 305 HA TYR 40 HA TYR 40 6.933 1.416 -9.261 306 HB2 TYR 40 HB3 TYR 40 5.965 -0.132 -6.841 307 HB3 TYR 40 HB2 TYR 40 5.756 1.585 -7.154 308 HD1 TYR 40 HD2 TYR 40 4.672 2.193 -9.470 309 HD2 TYR 40 HD1 TYR 40 4.190 -1.572 -7.459 310 HE1 TYR 40 HE2 TYR 40 2.612 1.764 -10.777 311 HE2 TYR 40 HE1 TYR 40 2.133 -2.002 -8.769 312 HH TYR 40 HH TYR 40 1.196 -1.228 -11.040 313 H GLN 41 H GLN 41 9.125 -0.849 -8.630 314 HA GLN 41 HA GLN 41 10.351 -0.165 -6.175 315 HB2 GLN 41 HB3 GLN 41 12.396 -1.108 -7.107 316 HB3 GLN 41 HB2 GLN 41 11.019 -2.084 -7.608 317 HG2 GLN 41 HG3 GLN 41 12.118 -1.852 -9.653 318 HG3 GLN 41 HG2 GLN 41 11.032 -0.467 -9.725 319 HE21 GLN 41 HE22 GLN 41 13.257 -0.215 -11.280 320 HE22 GLN 41 HE21 GLN 41 14.396 0.829 -10.577 321 H ASN 42 H ASN 42 10.156 1.575 -9.164 322 HA ASN 42 HA ASN 42 12.330 3.448 -8.431 323 HB2 ASN 42 HB3 ASN 42 10.400 3.353 -10.772 324 HB3 ASN 42 HB2 ASN 42 11.638 4.592 -10.563 325 HD21 ASN 42 HD22 ASN 42 11.095 1.699 -12.125 326 HD22 ASN 42 HD21 ASN 42 12.697 1.157 -12.269 327 H ASP 43 H ASP 43 8.886 3.124 -8.116 328 HA ASP 43 HA ASP 43 8.415 6.002 -7.721 329 HB2 ASP 43 HB3 ASP 43 6.724 4.273 -8.624 330 HB3 ASP 43 HB2 ASP 43 6.545 3.748 -6.952 331 H LYS 44 H LYS 44 9.889 6.449 -5.965 332 HA LYS 44 HA LYS 44 10.168 5.079 -3.577 333 HB2 LYS 44 HB3 LYS 44 10.275 8.025 -4.211 334 HB3 LYS 44 HB2 LYS 44 10.573 7.443 -2.572 335 HG2 LYS 44 HG3 LYS 44 12.417 6.074 -3.318 336 HG3 LYS 44 HG2 LYS 44 12.055 6.420 -5.009 337 HD2 LYS 44 HD3 LYS 44 12.546 8.810 -4.630 338 HD3 LYS 44 HD2 LYS 44 12.911 8.466 -2.938 339 HE2 LYS 44 HE3 LYS 44 14.367 7.254 -5.306 340 HE3 LYS 44 HE2 LYS 44 14.970 8.589 -4.325 341 HZ1 LYS 44 HZ1 LYS 44 15.673 7.170 -2.797 342 HZ2 LYS 44 HZ2 LYS 44 15.265 5.889 -3.831 343 HZ3 LYS 44 HZ3 LYS 44 14.144 6.439 -2.679 344 H GLU 45 H GLU 45 7.476 7.079 -4.605 345 HA GLU 45 HA GLU 45 6.277 7.482 -2.043 346 HB2 GLU 45 HB3 GLU 45 5.604 8.599 -4.227 347 HB3 GLU 45 HB2 GLU 45 4.801 7.093 -4.667 348 HG2 GLU 45 HG3 GLU 45 3.124 8.514 -3.691 349 HG3 GLU 45 HG2 GLU 45 3.494 7.274 -2.494 350 H VAL 46 H VAL 46 5.631 4.970 -4.515 351 HA VAL 46 HA VAL 46 3.849 3.450 -2.881 352 HB VAL 46 HB VAL 46 5.656 2.482 -5.110 353 HG11 VAL 46 HG11 VAL 46 3.135 1.353 -3.862 354 HG12 VAL 46 HG12 VAL 46 4.737 0.616 -3.872 355 HG13 VAL 46 HG13 VAL 46 3.827 0.765 -5.374 356 HG21 VAL 46 HG21 VAL 46 3.785 2.938 -6.600 357 HG22 VAL 46 HG22 VAL 46 4.173 4.417 -5.722 358 HG23 VAL 46 HG23 VAL 46 2.782 3.447 -5.242 359 H MET 47 H MET 47 7.357 3.537 -3.124 360 HA MET 47 HA MET 47 7.878 1.049 -1.799 361 HB2 MET 47 HB3 MET 47 9.525 3.594 -1.868 362 HB3 MET 47 HB2 MET 47 10.111 2.034 -1.296 363 HG2 MET 47 HG3 MET 47 8.972 2.445 -4.073 364 HG3 MET 47 HG2 MET 47 10.692 2.574 -3.710 365 HE1 MET 47 HE1 MET 47 12.252 0.362 -4.030 366 HE2 MET 47 HE2 MET 47 11.899 -0.784 -2.729 367 HE3 MET 47 HE3 MET 47 11.944 0.946 -2.397 368 H ASP 48 H ASP 48 7.791 4.374 -0.490 369 HA ASP 48 HA ASP 48 8.184 3.661 2.222 370 HB2 ASP 48 HB3 ASP 48 8.023 6.007 1.071 371 HB3 ASP 48 HB2 ASP 48 6.297 5.879 1.398 372 H VAL 49 H VAL 49 5.280 3.669 0.248 373 HA VAL 49 HA VAL 49 3.465 3.195 2.467 374 HB VAL 49 HB VAL 49 3.114 2.898 -0.527 375 HG11 VAL 49 HG11 VAL 49 1.374 1.675 0.593 376 HG12 VAL 49 HG12 VAL 49 0.682 3.214 0.084 377 HG13 VAL 49 HG13 VAL 49 1.143 2.970 1.769 378 HG21 VAL 49 HG21 VAL 49 2.288 5.183 1.291 379 HG22 VAL 49 HG22 VAL 49 2.249 5.147 -0.470 380 HG23 VAL 49 HG23 VAL 49 3.791 5.186 0.375 381 H PHE 50 H PHE 50 4.555 1.157 -0.251 382 HA PHE 50 HA PHE 50 3.335 -1.221 0.790 383 HB2 PHE 50 HB3 PHE 50 5.054 -0.489 -1.483 384 HB3 PHE 50 HB2 PHE 50 5.394 -2.103 -0.872 385 HD1 PHE 50 HD1 PHE 50 2.319 -0.003 -1.217 386 HD2 PHE 50 HD2 PHE 50 4.213 -3.758 -2.093 387 HE1 PHE 50 HE1 PHE 50 0.231 -0.803 -2.276 388 HE2 PHE 50 HE2 PHE 50 2.123 -4.557 -3.157 389 HZ PHE 50 HZ PHE 50 0.135 -3.081 -3.254 390 H ASN 51 H ASN 51 6.339 0.389 1.402 391 HA ASN 51 HA ASN 51 7.607 -1.918 2.690 392 HB2 ASN 51 HB3 ASN 51 8.965 -0.093 1.686 393 HB3 ASN 51 HB2 ASN 51 8.288 1.038 2.859 394 HD21 ASN 51 HD22 ASN 51 10.743 1.200 3.422 395 HD22 ASN 51 HD21 ASN 51 11.334 0.097 4.569 396 H LYS 52 H LYS 52 5.471 0.703 3.553 397 HA LYS 52 HA LYS 52 5.872 0.361 6.445 398 HB2 LYS 52 HB3 LYS 52 5.143 2.539 5.451 399 HB3 LYS 52 HB2 LYS 52 3.635 1.774 4.952 400 HG2 LYS 52 HG3 LYS 52 3.071 1.270 7.267 401 HG3 LYS 52 HG2 LYS 52 4.616 1.911 7.816 402 HD2 LYS 52 HD3 LYS 52 2.607 3.588 6.282 403 HD3 LYS 52 HD2 LYS 52 2.598 3.480 8.038 404 HE2 LYS 52 HE3 LYS 52 5.110 4.171 7.882 405 HE3 LYS 52 HE2 LYS 52 4.708 4.685 6.244 406 HZ1 LYS 52 HZ1 LYS 52 3.395 5.593 8.744 407 HZ2 LYS 52 HZ2 LYS 52 2.915 6.039 7.180 408 HZ3 LYS 52 HZ3 LYS 52 4.441 6.505 7.764 409 H ILE 53 H ILE 53 3.433 -0.365 4.028 410 HA ILE 53 HA ILE 53 1.532 -1.697 5.599 411 HB ILE 53 HB ILE 53 2.297 -1.529 2.764 412 HG12 ILE 53 HG13 ILE 53 -0.101 -1.312 2.448 413 HG13 ILE 53 HG12 ILE 53 -0.390 -1.853 4.099 414 HG21 ILE 53 HG21 ILE 53 2.421 -3.929 2.806 415 HG22 ILE 53 HG22 ILE 53 0.882 -3.487 2.075 416 HG23 ILE 53 HG23 ILE 53 0.931 -4.040 3.748 417 HD11 ILE 53 HD11 ILE 53 0.053 0.191 4.960 418 HD12 ILE 53 HD12 ILE 53 -0.140 0.774 3.310 419 HD13 ILE 53 HD13 ILE 53 1.468 0.424 3.934 420 H SER 54 H SER 54 4.556 -2.862 4.241 421 HA SER 54 HA SER 54 4.038 -5.631 5.046 422 HB2 SER 54 HB3 SER 54 5.405 -4.987 3.050 423 HB3 SER 54 HB2 SER 54 6.632 -4.354 4.143 424 HG SER 54 HG SER 54 6.272 -6.647 5.106 425 H GLN 55 H GLN 55 5.880 -2.907 6.357 426 HA GLN 55 HA GLN 55 7.142 -4.600 8.415 427 HB2 GLN 55 HB3 GLN 55 7.143 -1.606 7.943 428 HB3 GLN 55 HB2 GLN 55 8.048 -2.401 9.233 429 HG2 GLN 55 HG3 GLN 55 9.336 -3.680 7.626 430 HG3 GLN 55 HG2 GLN 55 8.348 -3.080 6.293 431 HE21 GLN 55 HE22 GLN 55 8.185 -0.339 6.899 432 HE22 GLN 55 HE21 GLN 55 9.738 0.345 6.858 433 H LEU 56 H LEU 56 4.659 -2.055 8.336 434 HA LEU 56 HA LEU 56 4.191 -2.180 11.203 435 HB2 LEU 56 HB3 LEU 56 2.738 -0.909 8.878 436 HB3 LEU 56 HB2 LEU 56 2.066 -0.858 10.503 437 HG LEU 56 HG LEU 56 3.448 1.169 9.841 438 HD11 LEU 56 HD11 LEU 56 4.769 -0.196 12.186 439 HD12 LEU 56 HD12 LEU 56 3.068 0.260 12.267 440 HD13 LEU 56 HD13 LEU 56 4.297 1.489 11.995 441 HD21 LEU 56 HD21 LEU 56 5.829 -0.667 10.223 442 HD22 LEU 56 HD22 LEU 56 5.829 1.011 9.685 443 HD23 LEU 56 HD23 LEU 56 5.196 -0.249 8.633 444 H PHE 57 H PHE 57 3.621 -4.452 8.953 445 HA PHE 57 HA PHE 57 1.190 -5.494 10.374 446 HB2 PHE 57 HB3 PHE 57 1.800 -5.664 7.411 447 HB3 PHE 57 HB2 PHE 57 0.443 -6.435 8.211 448 HD1 PHE 57 HD2 PHE 57 2.004 -2.989 7.880 449 HD2 PHE 57 HD1 PHE 57 -1.611 -5.303 8.226 450 HE1 PHE 57 HE2 PHE 57 0.656 -0.929 7.677 451 HE2 PHE 57 HE1 PHE 57 -2.944 -3.233 8.004 452 HZ PHE 57 HZ PHE 57 -1.815 -1.048 7.733 453 HA PRO 58 HA PRO 58 5.021 -8.308 10.606 454 HB2 PRO 58 HB2 PRO 58 3.278 -9.008 12.966 455 HB3 PRO 58 HB3 PRO 58 5.052 -8.970 12.856 456 HG2 PRO 58 HG3 PRO 58 3.740 -6.977 14.010 457 HG3 PRO 58 HG2 PRO 58 5.138 -6.653 12.966 458 HD2 PRO 58 HD3 PRO 58 2.232 -6.208 12.399 459 HD3 PRO 58 HD2 PRO 58 3.651 -5.332 11.781 460 H GLY 59 H GLY 59 1.543 -8.803 10.626 461 HA2 GLY 59 HA3 GLY 59 1.632 -10.977 8.793 462 HA3 GLY 59 HA2 GLY 59 1.478 -11.642 10.421 463 H MET 60 H MET 60 0.095 -8.639 9.098 464 HA MET 60 HA MET 60 -2.125 -7.871 9.139 465 HB2 MET 60 HB3 MET 60 -2.551 -10.778 8.378 466 HB3 MET 60 HB2 MET 60 -3.792 -9.531 8.272 467 HG2 MET 60 HG3 MET 60 -2.826 -9.707 6.085 468 HG3 MET 60 HG2 MET 60 -2.183 -8.223 6.787 469 HE1 MET 60 HE1 MET 60 -1.070 -10.364 4.356 470 HE2 MET 60 HE2 MET 60 0.618 -9.865 4.533 471 HE3 MET 60 HE3 MET 60 -0.672 -8.668 4.618 472 H THR 61 H THR 61 -2.403 -7.395 11.347 473 HA THR 61 HA THR 61 -2.857 -9.334 13.393 474 HB THR 61 HB THR 61 -3.636 -7.473 14.745 475 HG1 THR 61 HG1 THR 61 -3.530 -5.600 12.760 476 HG21 THR 61 HG21 THR 61 -1.508 -6.528 12.804 477 HG22 THR 61 HG22 THR 61 -1.218 -7.564 14.201 478 HG23 THR 61 HG23 THR 61 -1.776 -5.908 14.433 479 H GLY 62 H GLY 62 -4.419 -10.857 12.729 480 HA2 GLY 62 HA3 GLY 62 -6.953 -10.167 11.579 481 HA3 GLY 62 HA2 GLY 62 -6.578 -11.704 12.360 Start of MODEL 9 1 H2 PRO 1 H2 PRO 1 -14.857 -2.668 1.332 2 H3 PRO 1 H3 PRO 1 -14.817 -4.248 0.698 3 HA PRO 1 HA PRO 1 -13.093 -4.656 2.020 4 HB2 PRO 1 HB2 PRO 1 -10.991 -3.069 1.175 5 HB3 PRO 1 HB3 PRO 1 -11.554 -4.501 0.288 6 HG2 PRO 1 HG3 PRO 1 -12.061 -1.622 -0.268 7 HG3 PRO 1 HG2 PRO 1 -11.904 -2.981 -1.399 8 HD2 PRO 1 HD3 PRO 1 -14.330 -1.867 -0.648 9 HD3 PRO 1 HD2 PRO 1 -14.141 -3.513 -1.264 10 H GLU 2 H GLU 2 -14.874 -2.231 2.691 11 HA GLU 2 HA GLU 2 -13.354 -0.216 3.976 12 HB2 GLU 2 HB3 GLU 2 -16.060 -1.378 4.702 13 HB3 GLU 2 HB2 GLU 2 -15.388 0.080 5.431 14 HG2 GLU 2 HG3 GLU 2 -16.841 0.772 3.630 15 HG3 GLU 2 HG2 GLU 2 -15.180 1.052 3.110 16 H GLU 3 H GLU 3 -14.023 -3.508 4.911 17 HA GLU 3 HA GLU 3 -13.490 -3.297 7.709 18 HB2 GLU 3 HB3 GLU 3 -14.488 -5.304 6.676 19 HB3 GLU 3 HB2 GLU 3 -12.971 -5.627 5.836 20 HG2 GLU 3 HG3 GLU 3 -11.806 -6.002 7.910 21 HG3 GLU 3 HG2 GLU 3 -13.179 -5.420 8.853 22 H VAL 4 H VAL 4 -11.299 -4.142 5.004 23 HA VAL 4 HA VAL 4 -8.960 -4.199 6.723 24 HB VAL 4 HB VAL 4 -9.180 -3.980 3.706 25 HG11 VAL 4 HG11 VAL 4 -6.862 -4.609 5.558 26 HG12 VAL 4 HG12 VAL 4 -6.969 -3.298 4.384 27 HG13 VAL 4 HG13 VAL 4 -6.843 -4.966 3.831 28 HG21 VAL 4 HG21 VAL 4 -10.258 -5.988 4.634 29 HG22 VAL 4 HG22 VAL 4 -8.798 -6.355 5.553 30 HG23 VAL 4 HG23 VAL 4 -8.771 -6.421 3.790 31 H ILE 5 H ILE 5 -10.233 -1.827 4.361 32 HA ILE 5 HA ILE 5 -8.169 0.083 4.583 33 HB ILE 5 HB ILE 5 -11.147 0.608 4.324 34 HG12 ILE 5 HG13 ILE 5 -9.030 0.394 2.156 35 HG13 ILE 5 HG12 ILE 5 -10.089 -0.941 2.610 36 HG21 ILE 5 HG21 ILE 5 -8.699 2.314 3.784 37 HG22 ILE 5 HG22 ILE 5 -10.010 2.652 4.915 38 HG23 ILE 5 HG23 ILE 5 -10.307 2.710 3.180 39 HD11 ILE 5 HD11 ILE 5 -11.037 1.775 1.650 40 HD12 ILE 5 HD12 ILE 5 -12.064 0.396 2.043 41 HD13 ILE 5 HD13 ILE 5 -10.973 0.317 0.660 42 H SER 6 H SER 6 -10.613 -0.857 6.849 43 HA SER 6 HA SER 6 -10.519 1.487 8.526 44 HB2 SER 6 HB3 SER 6 -12.307 -0.308 8.591 45 HB3 SER 6 HB2 SER 6 -11.140 -1.349 9.400 46 HG SER 6 HG SER 6 -10.978 0.240 11.030 47 H LYS 7 H LYS 7 -8.634 -1.518 8.388 48 HA LYS 7 HA LYS 7 -7.219 -0.974 10.866 49 HB2 LYS 7 HB3 LYS 7 -6.035 -2.946 10.470 50 HB3 LYS 7 HB2 LYS 7 -7.521 -3.241 9.583 51 HG2 LYS 7 HG3 LYS 7 -6.045 -3.831 7.907 52 HG3 LYS 7 HG2 LYS 7 -6.079 -2.111 7.585 53 HD2 LYS 7 HD3 LYS 7 -3.780 -2.427 7.694 54 HD3 LYS 7 HD2 LYS 7 -4.097 -2.076 9.390 55 HE2 LYS 7 HE3 LYS 7 -3.561 -4.740 8.079 56 HE3 LYS 7 HE2 LYS 7 -2.809 -4.043 9.513 57 HZ1 LYS 7 HZ1 LYS 7 -4.847 -4.351 10.724 58 HZ2 LYS 7 HZ2 LYS 7 -4.378 -5.830 10.038 59 HZ3 LYS 7 HZ3 LYS 7 -5.638 -4.930 9.336 60 H ILE 8 H ILE 8 -6.701 -0.121 7.494 61 HA ILE 8 HA ILE 8 -3.967 0.778 7.848 62 HB ILE 8 HB ILE 8 -6.109 1.223 5.756 63 HG12 ILE 8 HG13 ILE 8 -3.618 0.297 4.659 64 HG13 ILE 8 HG12 ILE 8 -3.889 -0.639 6.120 65 HG21 ILE 8 HG21 ILE 8 -5.037 3.351 5.726 66 HG22 ILE 8 HG22 ILE 8 -4.275 2.435 4.431 67 HG23 ILE 8 HG23 ILE 8 -3.443 2.636 5.970 68 HD11 ILE 8 HD11 ILE 8 -6.116 -1.277 5.329 69 HD12 ILE 8 HD12 ILE 8 -4.892 -1.715 4.138 70 HD13 ILE 8 HD13 ILE 8 -5.901 -0.292 3.884 71 H MET 9 H MET 9 -7.083 2.176 8.545 72 HA MET 9 HA MET 9 -6.319 4.935 8.568 73 HB2 MET 9 HB3 MET 9 -8.419 3.396 10.122 74 HB3 MET 9 HB2 MET 9 -8.230 5.144 10.258 75 HG2 MET 9 HG3 MET 9 -8.721 5.463 7.927 76 HG3 MET 9 HG2 MET 9 -8.633 3.732 7.609 77 HE1 MET 9 HE1 MET 9 -12.006 6.149 9.508 78 HE2 MET 9 HE2 MET 9 -10.722 6.695 8.421 79 HE3 MET 9 HE3 MET 9 -10.346 6.261 10.086 80 H GLU 10 H GLU 10 -5.146 2.387 10.391 81 HA GLU 10 HA GLU 10 -4.873 3.549 12.988 82 HB2 GLU 10 HB3 GLU 10 -3.107 1.893 13.336 83 HB3 GLU 10 HB2 GLU 10 -4.449 1.149 12.467 84 HG2 GLU 10 HG3 GLU 10 -3.193 1.662 10.309 85 HG3 GLU 10 HG2 GLU 10 -1.812 2.106 11.310 86 H ASN 11 H ASN 11 -2.936 3.811 10.054 87 HA ASN 11 HA ASN 11 -1.130 5.784 11.411 88 HB2 ASN 11 HB3 ASN 11 -0.740 3.944 9.039 89 HB3 ASN 11 HB2 ASN 11 0.384 5.244 9.436 90 HD21 ASN 11 HD22 ASN 11 -0.813 4.247 12.377 91 HD22 ASN 11 HD21 ASN 11 0.359 3.088 12.779 92 HA PRO 12 HA PRO 12 -3.930 8.408 8.762 93 HB2 PRO 12 HB2 PRO 12 -2.079 10.359 10.134 94 HB3 PRO 12 HB3 PRO 12 -3.818 10.516 9.795 95 HG2 PRO 12 HG3 PRO 12 -3.008 9.872 12.225 96 HG3 PRO 12 HG2 PRO 12 -4.413 9.056 11.510 97 HD2 PRO 12 HD3 PRO 12 -1.633 8.003 11.915 98 HD3 PRO 12 HD2 PRO 12 -3.184 7.131 11.962 99 H ASP 13 H ASP 13 -0.527 7.944 8.932 100 HA ASP 13 HA ASP 13 0.255 9.665 6.736 101 HB2 ASP 13 HB3 ASP 13 1.821 8.775 8.497 102 HB3 ASP 13 HB2 ASP 13 1.648 7.176 7.774 103 H VAL 14 H VAL 14 -0.559 6.220 7.060 104 HA VAL 14 HA VAL 14 -0.178 5.666 4.215 105 HB VAL 14 HB VAL 14 -1.626 4.089 6.369 106 HG11 VAL 14 HG11 VAL 14 -2.161 3.448 4.002 107 HG12 VAL 14 HG12 VAL 14 -1.339 2.179 4.899 108 HG13 VAL 14 HG13 VAL 14 -0.444 3.156 3.736 109 HG21 VAL 14 HG21 VAL 14 0.746 4.542 6.916 110 HG22 VAL 14 HG22 VAL 14 1.224 3.880 5.353 111 HG23 VAL 14 HG23 VAL 14 0.481 2.834 6.563 112 H ALA 15 H ALA 15 -2.882 6.372 6.371 113 HA ALA 15 HA ALA 15 -4.983 5.928 4.496 114 HB1 ALA 15 HB1 ALA 15 -6.342 7.215 5.994 115 HB2 ALA 15 HB2 ALA 15 -4.937 8.061 6.642 116 HB3 ALA 15 HB3 ALA 15 -5.178 6.351 6.998 117 H MET 16 H MET 16 -2.864 8.683 5.109 118 HA MET 16 HA MET 16 -4.223 10.452 3.225 119 HB2 MET 16 HB3 MET 16 -1.553 10.522 4.653 120 HB3 MET 16 HB2 MET 16 -2.003 11.751 3.471 121 HG2 MET 16 HG3 MET 16 -3.752 11.058 5.847 122 HG3 MET 16 HG2 MET 16 -2.528 12.327 5.900 123 HE1 MET 16 HE1 MET 16 -5.377 14.733 5.634 124 HE2 MET 16 HE2 MET 16 -3.716 14.460 6.178 125 HE3 MET 16 HE3 MET 16 -5.009 13.388 6.711 126 H ALA 17 H ALA 17 -1.520 8.199 3.195 127 HA ALA 17 HA ALA 17 -0.586 8.888 0.543 128 HB1 ALA 17 HB1 ALA 17 0.780 6.928 0.714 129 HB2 ALA 17 HB2 ALA 17 -0.290 6.199 1.911 130 HB3 ALA 17 HB3 ALA 17 0.698 7.594 2.345 131 H PHE 18 H PHE 18 -2.952 6.672 1.900 132 HA PHE 18 HA PHE 18 -3.522 5.081 -0.369 133 HB2 PHE 18 HB3 PHE 18 -4.937 5.936 2.095 134 HB3 PHE 18 HB2 PHE 18 -6.013 5.492 0.776 135 HD1 PHE 18 HD1 PHE 18 -2.637 4.116 1.634 136 HD2 PHE 18 HD2 PHE 18 -6.865 3.366 1.416 137 HE1 PHE 18 HE1 PHE 18 -2.243 1.727 2.157 138 HE2 PHE 18 HE2 PHE 18 -6.466 0.978 1.937 139 HZ PHE 18 HZ PHE 18 -4.155 0.155 2.302 140 H GLN 19 H GLN 19 -4.015 8.447 0.176 141 HA GLN 19 HA GLN 19 -6.005 8.715 -2.009 142 HB2 GLN 19 HB3 GLN 19 -4.670 10.806 -0.260 143 HB3 GLN 19 HB2 GLN 19 -5.981 11.106 -1.401 144 HG2 GLN 19 HG3 GLN 19 -7.471 9.645 -0.147 145 HG3 GLN 19 HG2 GLN 19 -6.160 9.193 0.944 146 HE21 GLN 19 HE22 GLN 19 -8.822 11.160 0.822 147 HE22 GLN 19 HE21 GLN 19 -8.316 12.394 1.872 148 H ASN 20 H ASN 20 -3.177 7.790 -2.469 149 HA ASN 20 HA ASN 20 -2.210 10.002 -4.244 150 HB2 ASN 20 HB3 ASN 20 -0.769 7.677 -2.930 151 HB3 ASN 20 HB2 ASN 20 -0.038 8.650 -4.201 152 HD21 ASN 20 HD22 ASN 20 -2.175 9.773 -1.541 153 HD22 ASN 20 HD21 ASN 20 -1.023 10.809 -0.848 154 HA PRO 21 HA PRO 21 -3.460 7.387 -7.583 155 HB2 PRO 21 HB2 PRO 21 -1.773 8.184 -9.599 156 HB3 PRO 21 HB3 PRO 21 -3.104 9.197 -9.001 157 HG2 PRO 21 HG3 PRO 21 -0.193 9.303 -8.299 158 HG3 PRO 21 HG2 PRO 21 -1.306 10.635 -8.673 159 HD2 PRO 21 HD3 PRO 21 -0.660 9.987 -6.105 160 HD3 PRO 21 HD2 PRO 21 -2.269 10.610 -6.540 161 H ARG 22 H ARG 22 0.097 7.556 -7.219 162 HA ARG 22 HA ARG 22 0.642 5.071 -8.523 163 HB2 ARG 22 HB3 ARG 22 2.279 6.179 -6.226 164 HB3 ARG 22 HB2 ARG 22 2.838 5.242 -7.611 165 HG2 ARG 22 HG3 ARG 22 1.776 8.084 -7.661 166 HG3 ARG 22 HG2 ARG 22 3.440 7.580 -7.937 167 HD2 ARG 22 HD3 ARG 22 2.536 6.175 -9.889 168 HD3 ARG 22 HD2 ARG 22 1.033 7.080 -9.700 169 HE ARG 22 HE ARG 22 2.095 8.929 -10.695 170 HH11 ARG 22 HH22 ARG 22 4.384 6.639 -9.499 171 HH12 ARG 22 HH21 ARG 22 5.754 7.469 -10.158 172 HH21 ARG 22 HH11 ARG 22 3.872 10.021 -11.559 173 HH22 ARG 22 HH12 ARG 22 5.464 9.382 -11.323 174 H VAL 23 H VAL 23 -0.329 5.860 -5.238 175 HA VAL 23 HA VAL 23 0.161 3.195 -4.175 176 HB VAL 23 HB VAL 23 -1.573 5.462 -3.144 177 HG11 VAL 23 HG11 VAL 23 -1.269 4.216 -0.944 178 HG12 VAL 23 HG12 VAL 23 -0.668 2.854 -1.890 179 HG13 VAL 23 HG13 VAL 23 -2.323 3.421 -2.113 180 HG21 VAL 23 HG21 VAL 23 0.352 5.882 -1.654 181 HG22 VAL 23 HG22 VAL 23 0.839 5.999 -3.346 182 HG23 VAL 23 HG23 VAL 23 1.229 4.554 -2.417 183 H GLN 24 H GLN 24 -2.823 4.980 -5.072 184 HA GLN 24 HA GLN 24 -4.627 2.821 -4.711 185 HB2 GLN 24 HB3 GLN 24 -5.292 5.195 -5.200 186 HB3 GLN 24 HB2 GLN 24 -4.774 4.954 -6.869 187 HG2 GLN 24 HG3 GLN 24 -6.412 3.179 -7.173 188 HG3 GLN 24 HG2 GLN 24 -6.871 3.267 -5.472 189 HE21 GLN 24 HE22 GLN 24 -6.348 5.827 -7.968 190 HE22 GLN 24 HE21 GLN 24 -7.863 6.558 -7.742 191 H ALA 25 H ALA 25 -2.456 3.643 -7.342 192 HA ALA 25 HA ALA 25 -3.426 1.583 -9.159 193 HB1 ALA 25 HB1 ALA 25 -1.330 2.112 -10.410 194 HB2 ALA 25 HB2 ALA 25 -0.827 3.153 -9.079 195 HB3 ALA 25 HB3 ALA 25 -2.258 3.561 -10.024 196 H ALA 26 H ALA 26 -0.993 1.835 -6.634 197 HA ALA 26 HA ALA 26 0.365 -0.635 -7.258 198 HB1 ALA 26 HB1 ALA 26 1.347 -0.414 -5.026 199 HB2 ALA 26 HB2 ALA 26 0.140 0.796 -4.592 200 HB3 ALA 26 HB3 ALA 26 1.346 1.158 -5.827 201 H LEU 27 H LEU 27 -2.238 0.233 -4.982 202 HA LEU 27 HA LEU 27 -2.589 -2.478 -4.015 203 HB2 LEU 27 HB3 LEU 27 -4.550 -0.165 -3.982 204 HB3 LEU 27 HB2 LEU 27 -4.643 -1.616 -2.987 205 HG LEU 27 HG LEU 27 -2.245 0.241 -2.911 206 HD11 LEU 27 HD11 LEU 27 -3.267 1.217 -0.863 207 HD12 LEU 27 HD12 LEU 27 -4.742 0.307 -1.191 208 HD13 LEU 27 HD13 LEU 27 -4.212 1.562 -2.312 209 HD21 LEU 27 HD21 LEU 27 -1.774 -1.905 -1.929 210 HD22 LEU 27 HD22 LEU 27 -3.323 -1.938 -1.089 211 HD23 LEU 27 HD23 LEU 27 -2.069 -0.806 -0.588 212 H MET 28 H MET 28 -4.369 -0.442 -6.352 213 HA MET 28 HA MET 28 -6.299 -2.394 -7.089 214 HB2 MET 28 HB3 MET 28 -6.278 0.056 -7.770 215 HB3 MET 28 HB2 MET 28 -5.043 -0.356 -8.959 216 HG2 MET 28 HG3 MET 28 -7.152 -0.420 -10.107 217 HG3 MET 28 HG2 MET 28 -6.661 -2.097 -9.872 218 HE1 MET 28 HE1 MET 28 -8.989 -3.279 -10.006 219 HE2 MET 28 HE2 MET 28 -9.346 -1.691 -10.699 220 HE3 MET 28 HE3 MET 28 -10.451 -2.416 -9.535 221 H GLU 29 H GLU 29 -3.013 -1.772 -8.279 222 HA GLU 29 HA GLU 29 -3.112 -3.888 -10.272 223 HB2 GLU 29 HB3 GLU 29 -1.569 -1.935 -10.435 224 HB3 GLU 29 HB2 GLU 29 -0.698 -2.535 -9.023 225 HG2 GLU 29 HG3 GLU 29 -0.017 -4.528 -10.181 226 HG3 GLU 29 HG2 GLU 29 -1.104 -4.193 -11.530 227 H CYS 30 H CYS 30 -2.323 -3.680 -6.854 228 HA CYS 30 HA CYS 30 -0.746 -6.025 -6.567 229 HB2 CYS 30 HB3 CYS 30 -1.305 -4.362 -4.749 230 HB3 CYS 30 HB2 CYS 30 -2.891 -5.119 -4.626 231 HG CYS 30 HG CYS 30 -1.267 -7.411 -4.279 232 H SER 31 H SER 31 -4.262 -5.662 -6.843 233 HA SER 31 HA SER 31 -5.102 -8.222 -6.178 234 HB2 SER 31 HB3 SER 31 -7.044 -7.818 -7.552 235 HB3 SER 31 HB2 SER 31 -6.570 -6.282 -6.831 236 HG SER 31 HG SER 31 -5.364 -6.910 -9.240 237 H GLU 32 H GLU 32 -3.395 -7.155 -9.047 238 HA GLU 32 HA GLU 32 -3.924 -9.487 -10.656 239 HB2 GLU 32 HB3 GLU 32 -1.600 -7.536 -10.710 240 HB3 GLU 32 HB2 GLU 32 -1.940 -8.733 -11.961 241 HG2 GLU 32 HG3 GLU 32 -4.195 -7.700 -12.276 242 HG3 GLU 32 HG2 GLU 32 -3.747 -6.449 -11.117 243 H ASN 33 H ASN 33 -1.023 -8.556 -8.766 244 HA ASN 33 HA ASN 33 -0.618 -11.026 -7.507 245 HB2 ASN 33 HB3 ASN 33 0.201 -10.999 -10.351 246 HB3 ASN 33 HB2 ASN 33 1.489 -11.520 -9.272 247 HD21 ASN 33 HD22 ASN 33 0.153 -12.975 -7.323 248 HD22 ASN 33 HD21 ASN 33 -0.668 -14.286 -8.022 249 HA PRO 34 HA PRO 34 2.606 -8.825 -5.399 250 HB2 PRO 34 HB2 PRO 34 4.501 -11.021 -6.221 251 HB3 PRO 34 HB3 PRO 34 4.257 -10.291 -4.619 252 HG2 PRO 34 HG3 PRO 34 3.219 -12.664 -5.189 253 HG3 PRO 34 HG2 PRO 34 2.308 -11.483 -4.229 254 HD2 PRO 34 HD3 PRO 34 1.884 -12.312 -7.076 255 HD3 PRO 34 HD2 PRO 34 0.703 -11.759 -5.868 256 H MET 35 H MET 35 2.870 -9.570 -8.726 257 HA MET 35 HA MET 35 5.431 -8.438 -9.313 258 HB2 MET 35 HB3 MET 35 4.565 -8.213 -11.635 259 HB3 MET 35 HB2 MET 35 4.266 -9.813 -10.962 260 HG2 MET 35 HG3 MET 35 2.193 -9.270 -11.939 261 HG3 MET 35 HG2 MET 35 1.945 -8.820 -10.257 262 HE1 MET 35 HE1 MET 35 2.272 -6.164 -13.946 263 HE2 MET 35 HE2 MET 35 1.742 -7.847 -13.821 264 HE3 MET 35 HE3 MET 35 3.442 -7.438 -13.611 265 H ASN 36 H ASN 36 2.674 -7.005 -8.071 266 HA ASN 36 HA ASN 36 2.530 -4.525 -9.413 267 HB2 ASN 36 HB3 ASN 36 1.874 -3.672 -6.995 268 HB3 ASN 36 HB2 ASN 36 0.826 -4.817 -7.826 269 HD21 ASN 36 HD22 ASN 36 3.049 -4.424 -5.135 270 HD22 ASN 36 HD21 ASN 36 2.801 -5.961 -4.459 271 H ILE 37 H ILE 37 4.208 -5.123 -6.328 272 HA ILE 37 HA ILE 37 5.622 -2.686 -6.329 273 HB ILE 37 HB ILE 37 5.328 -4.321 -4.392 274 HG12 ILE 37 HG13 ILE 37 7.544 -3.744 -3.386 275 HG13 ILE 37 HG12 ILE 37 8.099 -3.219 -4.973 276 HG21 ILE 37 HG21 ILE 37 6.871 -6.128 -4.128 277 HG22 ILE 37 HG22 ILE 37 7.824 -5.616 -5.519 278 HG23 ILE 37 HG23 ILE 37 6.210 -6.287 -5.755 279 HD11 ILE 37 HD11 ILE 37 5.534 -2.017 -4.027 280 HD12 ILE 37 HD12 ILE 37 6.872 -1.282 -4.912 281 HD13 ILE 37 HD13 ILE 37 6.994 -1.528 -3.173 282 H MET 38 H MET 38 6.496 -5.820 -7.706 283 HA MET 38 HA MET 38 9.176 -5.359 -8.377 284 HB2 MET 38 HB3 MET 38 7.020 -6.777 -9.964 285 HB3 MET 38 HB2 MET 38 8.741 -6.882 -10.328 286 HG2 MET 38 HG3 MET 38 7.585 -7.590 -7.619 287 HG3 MET 38 HG2 MET 38 7.828 -8.775 -8.902 288 HE1 MET 38 HE1 MET 38 10.662 -9.617 -6.440 289 HE2 MET 38 HE2 MET 38 9.564 -10.323 -7.634 290 HE3 MET 38 HE3 MET 38 8.926 -9.342 -6.317 291 H LYS 39 H LYS 39 6.499 -3.544 -9.391 292 HA LYS 39 HA LYS 39 7.976 -2.480 -11.784 293 HB2 LYS 39 HB3 LYS 39 5.021 -2.426 -11.099 294 HB3 LYS 39 HB2 LYS 39 5.744 -1.627 -12.497 295 HG2 LYS 39 HG3 LYS 39 6.432 -3.717 -13.454 296 HG3 LYS 39 HG2 LYS 39 6.071 -4.592 -11.968 297 HD2 LYS 39 HD3 LYS 39 4.318 -4.924 -13.699 298 HD3 LYS 39 HD2 LYS 39 3.682 -4.160 -12.243 299 HE2 LYS 39 HE3 LYS 39 2.993 -3.143 -14.529 300 HE3 LYS 39 HE2 LYS 39 3.543 -2.032 -13.277 301 HZ1 LYS 39 HZ1 LYS 39 5.471 -1.615 -14.359 302 HZ2 LYS 39 HZ2 LYS 39 4.525 -2.002 -15.713 303 HZ3 LYS 39 HZ3 LYS 39 5.568 -3.166 -15.047 304 H TYR 40 H TYR 40 6.467 -1.665 -8.709 305 HA TYR 40 HA TYR 40 6.906 1.230 -9.154 306 HB2 TYR 40 HB3 TYR 40 5.749 -0.203 -6.743 307 HB3 TYR 40 HB2 TYR 40 5.662 1.516 -7.102 308 HD1 TYR 40 HD1 TYR 40 4.715 2.099 -9.512 309 HD2 TYR 40 HD2 TYR 40 3.866 -1.511 -7.345 310 HE1 TYR 40 HE1 TYR 40 2.670 1.765 -10.871 311 HE2 TYR 40 HE2 TYR 40 1.826 -1.846 -8.705 312 HH TYR 40 HH TYR 40 1.236 -0.309 -11.553 313 H GLN 41 H GLN 41 8.966 -1.111 -8.529 314 HA GLN 41 HA GLN 41 10.146 -0.571 -6.005 315 HB2 GLN 41 HB3 GLN 41 11.723 -1.233 -8.507 316 HB3 GLN 41 HB2 GLN 41 12.120 -1.637 -6.836 317 HG2 GLN 41 HG3 GLN 41 9.986 -3.022 -6.789 318 HG3 GLN 41 HG2 GLN 41 9.893 -2.775 -8.534 319 HE21 GLN 41 HE22 GLN 41 11.556 -4.528 -5.997 320 HE22 GLN 41 HE21 GLN 41 12.552 -5.447 -7.019 321 H ASN 42 H ASN 42 10.118 1.266 -8.949 322 HA ASN 42 HA ASN 42 12.359 3.005 -8.115 323 HB2 ASN 42 HB3 ASN 42 11.823 4.236 -10.208 324 HB3 ASN 42 HB2 ASN 42 12.077 2.516 -10.504 325 HD21 ASN 42 HD22 ASN 42 10.541 4.019 -12.345 326 HD22 ASN 42 HD21 ASN 42 8.916 3.542 -12.234 327 H ASP 43 H ASP 43 8.847 2.956 -8.103 328 HA ASP 43 HA ASP 43 8.522 5.779 -7.524 329 HB2 ASP 43 HB3 ASP 43 6.786 4.051 -8.443 330 HB3 ASP 43 HB2 ASP 43 6.537 3.633 -6.752 331 H LYS 44 H LYS 44 9.963 6.189 -5.765 332 HA LYS 44 HA LYS 44 10.274 4.760 -3.417 333 HB2 LYS 44 HB3 LYS 44 11.526 6.839 -4.143 334 HB3 LYS 44 HB2 LYS 44 10.171 7.782 -3.523 335 HG2 LYS 44 HG3 LYS 44 10.497 6.580 -1.301 336 HG3 LYS 44 HG2 LYS 44 11.997 5.932 -1.961 337 HD2 LYS 44 HD3 LYS 44 11.332 8.885 -1.724 338 HD3 LYS 44 HD2 LYS 44 12.375 7.993 -0.620 339 HE2 LYS 44 HE3 LYS 44 13.740 7.356 -2.739 340 HE3 LYS 44 HE2 LYS 44 12.868 8.677 -3.521 341 HZ1 LYS 44 HZ1 LYS 44 13.619 10.122 -1.676 342 HZ2 LYS 44 HZ2 LYS 44 14.887 9.530 -2.635 343 HZ3 LYS 44 HZ3 LYS 44 14.586 8.846 -1.109 344 H GLU 45 H GLU 45 7.618 6.923 -4.280 345 HA GLU 45 HA GLU 45 6.480 7.194 -1.680 346 HB2 GLU 45 HB3 GLU 45 5.825 8.476 -3.779 347 HB3 GLU 45 HB2 GLU 45 4.927 7.046 -4.282 348 HG2 GLU 45 HG3 GLU 45 3.356 8.491 -3.177 349 HG3 GLU 45 HG2 GLU 45 3.691 7.168 -2.062 350 H VAL 46 H VAL 46 5.820 4.805 -4.245 351 HA VAL 46 HA VAL 46 3.907 3.308 -2.710 352 HB VAL 46 HB VAL 46 5.669 2.340 -4.974 353 HG11 VAL 46 HG11 VAL 46 3.056 1.340 -3.813 354 HG12 VAL 46 HG12 VAL 46 4.603 0.494 -3.830 355 HG13 VAL 46 HG13 VAL 46 3.733 0.770 -5.338 356 HG21 VAL 46 HG21 VAL 46 4.341 4.399 -5.522 357 HG22 VAL 46 HG22 VAL 46 2.876 3.517 -5.092 358 HG23 VAL 46 HG23 VAL 46 3.853 2.990 -6.462 359 H MET 47 H MET 47 7.407 3.199 -3.015 360 HA MET 47 HA MET 47 7.807 0.648 -1.775 361 HB2 MET 47 HB3 MET 47 9.587 3.107 -1.813 362 HB3 MET 47 HB2 MET 47 10.098 1.512 -1.262 363 HG2 MET 47 HG3 MET 47 9.732 0.563 -3.455 364 HG3 MET 47 HG2 MET 47 8.989 2.056 -4.028 365 HE1 MET 47 HE1 MET 47 13.358 1.187 -3.058 366 HE2 MET 47 HE2 MET 47 11.900 0.359 -2.495 367 HE3 MET 47 HE3 MET 47 12.420 1.858 -1.728 368 H ASP 48 H ASP 48 7.797 3.938 -0.437 369 HA ASP 48 HA ASP 48 8.209 3.178 2.276 370 HB2 ASP 48 HB3 ASP 48 6.999 5.558 0.875 371 HB3 ASP 48 HB2 ASP 48 6.917 5.455 2.633 372 H VAL 49 H VAL 49 5.310 3.341 0.294 373 HA VAL 49 HA VAL 49 3.467 2.982 2.520 374 HB VAL 49 HB VAL 49 3.176 2.764 -0.487 375 HG11 VAL 49 HG11 VAL 49 1.414 1.422 0.408 376 HG12 VAL 49 HG12 VAL 49 0.691 2.993 0.070 377 HG13 VAL 49 HG13 VAL 49 1.119 2.559 1.724 378 HG21 VAL 49 HG21 VAL 49 3.733 5.002 0.590 379 HG22 VAL 49 HG22 VAL 49 2.183 4.898 1.420 380 HG23 VAL 49 HG23 VAL 49 2.238 4.971 -0.339 381 H PHE 50 H PHE 50 4.438 0.888 -0.195 382 HA PHE 50 HA PHE 50 3.120 -1.418 0.889 383 HB2 PHE 50 HB3 PHE 50 4.685 -0.754 -1.487 384 HB3 PHE 50 HB2 PHE 50 5.123 -2.348 -0.877 385 HD1 PHE 50 HD2 PHE 50 2.373 -0.241 -2.139 386 HD2 PHE 50 HD1 PHE 50 3.498 -4.171 -0.824 387 HE1 PHE 50 HE2 PHE 50 0.233 -1.136 -3.002 388 HE2 PHE 50 HE1 PHE 50 1.353 -5.067 -1.679 389 HZ PHE 50 HZ PHE 50 -0.277 -3.556 -2.773 390 H ASN 51 H ASN 51 6.237 0.011 1.413 391 HA ASN 51 HA ASN 51 7.368 -2.400 2.658 392 HB2 ASN 51 HB3 ASN 51 8.835 -0.675 1.602 393 HB3 ASN 51 HB2 ASN 51 8.322 0.478 2.837 394 HD21 ASN 51 HD22 ASN 51 9.693 -2.860 2.635 395 HD22 ASN 51 HD21 ASN 51 10.694 -2.683 3.994 396 H LYS 52 H LYS 52 5.464 0.386 3.600 397 HA LYS 52 HA LYS 52 5.976 0.004 6.472 398 HB2 LYS 52 HB3 LYS 52 5.373 2.237 5.679 399 HB3 LYS 52 HB2 LYS 52 3.880 1.618 4.977 400 HG2 LYS 52 HG3 LYS 52 2.939 1.140 7.112 401 HG3 LYS 52 HG2 LYS 52 4.490 1.321 7.928 402 HD2 LYS 52 HD3 LYS 52 3.357 3.681 6.425 403 HD3 LYS 52 HD2 LYS 52 2.696 3.286 8.008 404 HE2 LYS 52 HE3 LYS 52 5.633 3.786 7.422 405 HE3 LYS 52 HE2 LYS 52 4.533 4.931 8.186 406 HZ1 LYS 52 HZ1 LYS 52 5.658 3.848 9.921 407 HZ2 LYS 52 HZ2 LYS 52 5.448 2.315 9.227 408 HZ3 LYS 52 HZ3 LYS 52 4.114 3.140 9.880 409 H ILE 53 H ILE 53 3.363 -0.546 4.187 410 HA ILE 53 HA ILE 53 1.467 -1.788 5.835 411 HB ILE 53 HB ILE 53 2.145 -1.659 2.968 412 HG12 ILE 53 HG13 ILE 53 -0.274 -1.371 2.738 413 HG13 ILE 53 HG12 ILE 53 -0.498 -1.834 4.422 414 HG21 ILE 53 HG21 ILE 53 0.625 -3.547 2.314 415 HG22 ILE 53 HG22 ILE 53 0.704 -4.118 3.977 416 HG23 ILE 53 HG23 ILE 53 2.167 -4.059 2.992 417 HD11 ILE 53 HD11 ILE 53 0.023 0.236 5.150 418 HD12 ILE 53 HD12 ILE 53 -0.113 0.750 3.473 419 HD13 ILE 53 HD13 ILE 53 1.461 0.324 4.136 420 H SER 54 H SER 54 4.260 -3.208 4.169 421 HA SER 54 HA SER 54 3.707 -5.885 5.192 422 HB2 SER 54 HB3 SER 54 5.519 -6.566 3.869 423 HB3 SER 54 HB2 SER 54 4.964 -5.132 3.009 424 HG SER 54 HG SER 54 6.543 -4.035 4.522 425 H GLN 55 H GLN 55 5.971 -3.269 6.042 426 HA GLN 55 HA GLN 55 7.461 -4.825 7.951 427 HB2 GLN 55 HB3 GLN 55 7.041 -1.860 7.539 428 HB3 GLN 55 HB2 GLN 55 7.954 -2.447 8.927 429 HG2 GLN 55 HG3 GLN 55 8.599 -3.289 6.085 430 HG3 GLN 55 HG2 GLN 55 9.335 -1.881 6.849 431 HE21 GLN 55 HE22 GLN 55 10.570 -4.547 6.036 432 HE22 GLN 55 HE21 GLN 55 11.308 -5.126 7.451 433 H LEU 56 H LEU 56 4.459 -3.011 8.125 434 HA LEU 56 HA LEU 56 4.253 -3.473 11.058 435 HB2 LEU 56 HB3 LEU 56 2.712 -1.847 9.034 436 HB3 LEU 56 HB2 LEU 56 1.994 -2.215 10.601 437 HG LEU 56 HG LEU 56 3.821 -1.132 11.768 438 HD11 LEU 56 HD11 LEU 56 5.047 -0.886 9.008 439 HD12 LEU 56 HD12 LEU 56 5.728 -1.684 10.424 440 HD13 LEU 56 HD13 LEU 56 5.596 0.071 10.382 441 HD21 LEU 56 HD21 LEU 56 2.802 0.512 9.431 442 HD22 LEU 56 HD22 LEU 56 3.579 1.190 10.861 443 HD23 LEU 56 HD23 LEU 56 2.038 0.346 11.011 444 H PHE 57 H PHE 57 2.937 -4.608 7.998 445 HA PHE 57 HA PHE 57 1.265 -6.608 9.501 446 HB2 PHE 57 HB3 PHE 57 0.601 -5.794 6.675 447 HB3 PHE 57 HB2 PHE 57 -0.457 -6.426 7.931 448 HD1 PHE 57 HD1 PHE 57 0.031 -4.760 10.232 449 HD2 PHE 57 HD2 PHE 57 -0.152 -3.629 6.093 450 HE1 PHE 57 HE1 PHE 57 -0.605 -2.459 10.889 451 HE2 PHE 57 HE2 PHE 57 -0.789 -1.328 6.753 452 HZ PHE 57 HZ PHE 57 -1.017 -0.741 9.151 453 HA PRO 58 HA PRO 58 4.702 -8.558 6.808 454 HB2 PRO 58 HB2 PRO 58 5.216 -10.472 8.842 455 HB3 PRO 58 HB3 PRO 58 6.206 -9.047 8.477 456 HG2 PRO 58 HG3 PRO 58 4.124 -9.413 10.577 457 HG3 PRO 58 HG2 PRO 58 5.635 -8.485 10.633 458 HD2 PRO 58 HD3 PRO 58 3.266 -7.239 10.364 459 HD3 PRO 58 HD2 PRO 58 4.701 -6.646 9.498 460 H GLY 59 H GLY 59 1.762 -9.271 8.294 461 HA2 GLY 59 HA3 GLY 59 1.265 -11.526 6.432 462 HA3 GLY 59 HA2 GLY 59 0.989 -11.816 8.155 463 H MET 60 H MET 60 -0.565 -10.382 9.256 464 HA MET 60 HA MET 60 -2.235 -8.534 7.837 465 HB2 MET 60 HB3 MET 60 -3.051 -10.581 6.717 466 HB3 MET 60 HB2 MET 60 -3.422 -11.289 8.286 467 HG2 MET 60 HG3 MET 60 -5.109 -9.634 8.725 468 HG3 MET 60 HG2 MET 60 -4.609 -8.670 7.335 469 HE1 MET 60 HE1 MET 60 -8.136 -9.939 6.357 470 HE2 MET 60 HE2 MET 60 -7.038 -8.553 6.305 471 HE3 MET 60 HE3 MET 60 -7.467 -9.284 7.849 472 H THR 61 H THR 61 -1.717 -7.453 9.859 473 HA THR 61 HA THR 61 -2.474 -8.557 12.417 474 HB THR 61 HB THR 61 -2.200 -6.196 13.216 475 HG1 THR 61 HG1 THR 61 -2.949 -5.213 11.287 476 HG21 THR 61 HG21 THR 61 0.209 -6.015 12.558 477 HG22 THR 61 HG22 THR 61 -0.057 -7.305 11.385 478 HG23 THR 61 HG23 THR 61 -0.244 -7.628 13.108 479 H GLY 62 H GLY 62 -4.686 -9.257 11.484 480 HA2 GLY 62 HA3 GLY 62 -6.721 -7.301 10.977 481 HA3 GLY 62 HA2 GLY 62 -7.017 -8.979 11.437 Start of MODEL 10 1 H2 PRO 1 H2 PRO 1 -14.852 -2.098 -1.131 2 H3 PRO 1 H3 PRO 1 -14.549 -3.549 -1.970 3 HA PRO 1 HA PRO 1 -13.076 -4.057 -0.400 4 HB2 PRO 1 HB2 PRO 1 -10.993 -2.252 -0.592 5 HB3 PRO 1 HB3 PRO 1 -11.272 -3.546 -1.776 6 HG2 PRO 1 HG3 PRO 1 -11.911 -0.644 -1.970 7 HG3 PRO 1 HG2 PRO 1 -11.428 -1.781 -3.244 8 HD2 PRO 1 HD3 PRO 1 -14.040 -0.953 -2.825 9 HD3 PRO 1 HD2 PRO 1 -13.595 -2.462 -3.631 10 H GLU 2 H GLU 2 -15.166 -1.923 0.278 11 HA GLU 2 HA GLU 2 -14.107 -0.005 2.070 12 HB2 GLU 2 HB3 GLU 2 -16.744 -1.499 2.156 13 HB3 GLU 2 HB2 GLU 2 -16.363 -0.117 3.182 14 HG2 GLU 2 HG3 GLU 2 -17.585 0.710 1.268 15 HG3 GLU 2 HG2 GLU 2 -15.905 1.215 1.086 16 H GLU 3 H GLU 3 -14.552 -3.447 2.426 17 HA GLU 3 HA GLU 3 -14.512 -3.645 5.263 18 HB2 GLU 3 HB3 GLU 3 -15.010 -5.554 3.777 19 HB3 GLU 3 HB2 GLU 3 -13.338 -5.552 3.214 20 HG2 GLU 3 HG3 GLU 3 -12.514 -6.126 5.405 21 HG3 GLU 3 HG2 GLU 3 -14.105 -5.881 6.128 22 H VAL 4 H VAL 4 -11.765 -3.921 2.972 23 HA VAL 4 HA VAL 4 -9.786 -3.940 5.062 24 HB VAL 4 HB VAL 4 -9.539 -3.240 2.121 25 HG11 VAL 4 HG11 VAL 4 -7.113 -3.876 2.530 26 HG12 VAL 4 HG12 VAL 4 -7.460 -3.807 4.257 27 HG13 VAL 4 HG13 VAL 4 -7.609 -2.354 3.269 28 HG21 VAL 4 HG21 VAL 4 -10.382 -5.509 2.572 29 HG22 VAL 4 HG22 VAL 4 -9.035 -5.796 3.673 30 HG23 VAL 4 HG23 VAL 4 -8.733 -5.572 1.949 31 H ILE 5 H ILE 5 -10.857 -1.343 2.839 32 HA ILE 5 HA ILE 5 -9.210 0.724 3.754 33 HB ILE 5 HB ILE 5 -12.129 0.930 2.981 34 HG12 ILE 5 HG13 ILE 5 -9.640 1.372 1.297 35 HG13 ILE 5 HG12 ILE 5 -10.539 -0.146 1.312 36 HG21 ILE 5 HG21 ILE 5 -11.399 3.294 2.359 37 HG22 ILE 5 HG22 ILE 5 -9.919 2.987 3.265 38 HG23 ILE 5 HG23 ILE 5 -11.479 2.964 4.087 39 HD11 ILE 5 HD11 ILE 5 -11.729 2.554 0.608 40 HD12 ILE 5 HD12 ILE 5 -12.555 0.997 0.538 41 HD13 ILE 5 HD13 ILE 5 -11.223 1.340 -0.567 42 H SER 6 H SER 6 -11.849 -0.839 5.380 43 HA SER 6 HA SER 6 -12.361 1.244 7.317 44 HB2 SER 6 HB3 SER 6 -13.696 -0.352 8.442 45 HB3 SER 6 HB2 SER 6 -13.792 -0.862 6.759 46 HG SER 6 HG SER 6 -11.739 -2.096 7.514 47 H LYS 7 H LYS 7 -10.159 -1.532 7.165 48 HA LYS 7 HA LYS 7 -9.178 -1.138 9.882 49 HB2 LYS 7 HB3 LYS 7 -7.942 -3.050 9.539 50 HB3 LYS 7 HB2 LYS 7 -9.064 -3.255 8.196 51 HG2 LYS 7 HG3 LYS 7 -7.387 -2.016 6.745 52 HG3 LYS 7 HG2 LYS 7 -6.249 -2.123 8.084 53 HD2 LYS 7 HD3 LYS 7 -7.521 -4.403 6.580 54 HD3 LYS 7 HD2 LYS 7 -5.825 -3.926 6.561 55 HE2 LYS 7 HE3 LYS 7 -5.836 -5.736 8.074 56 HE3 LYS 7 HE2 LYS 7 -5.930 -4.339 9.146 57 HZ1 LYS 7 HZ1 LYS 7 -8.521 -5.072 8.317 58 HZ2 LYS 7 HZ2 LYS 7 -7.877 -5.049 9.885 59 HZ3 LYS 7 HZ3 LYS 7 -7.728 -6.445 8.928 60 H ILE 8 H ILE 8 -8.064 -0.178 6.654 61 HA ILE 8 HA ILE 8 -5.498 0.753 7.202 62 HB ILE 8 HB ILE 8 -7.511 2.237 5.492 63 HG12 ILE 8 HG13 ILE 8 -7.529 -0.159 4.941 64 HG13 ILE 8 HG12 ILE 8 -6.776 0.760 3.651 65 HG21 ILE 8 HG21 ILE 8 -5.523 2.867 4.186 66 HG22 ILE 8 HG22 ILE 8 -4.497 1.971 5.304 67 HG23 ILE 8 HG23 ILE 8 -5.366 3.398 5.858 68 HD11 ILE 8 HD11 ILE 8 -5.363 -1.102 3.939 69 HD12 ILE 8 HD12 ILE 8 -5.488 -1.045 5.693 70 HD13 ILE 8 HD13 ILE 8 -4.538 0.166 4.837 71 H MET 9 H MET 9 -8.535 2.039 8.244 72 HA MET 9 HA MET 9 -7.705 4.674 8.943 73 HB2 MET 9 HB3 MET 9 -9.702 4.785 10.216 74 HB3 MET 9 HB2 MET 9 -10.080 3.629 8.944 75 HG2 MET 9 HG3 MET 9 -10.855 2.481 10.831 76 HG3 MET 9 HG2 MET 9 -9.214 1.851 10.713 77 HE1 MET 9 HE1 MET 9 -11.196 4.953 12.084 78 HE2 MET 9 HE2 MET 9 -11.020 4.659 13.819 79 HE3 MET 9 HE3 MET 9 -11.822 3.469 12.798 80 H GLU 10 H GLU 10 -6.576 1.687 10.018 81 HA GLU 10 HA GLU 10 -6.144 2.277 12.817 82 HB2 GLU 10 HB3 GLU 10 -4.594 0.394 12.770 83 HB3 GLU 10 HB2 GLU 10 -6.032 -0.014 11.834 84 HG2 GLU 10 HG3 GLU 10 -4.758 0.756 9.760 85 HG3 GLU 10 HG2 GLU 10 -3.316 0.827 10.773 86 H ASN 11 H ASN 11 -4.568 3.256 9.899 87 HA ASN 11 HA ASN 11 -2.594 4.827 11.485 88 HB2 ASN 11 HB3 ASN 11 -1.489 2.706 10.766 89 HB3 ASN 11 HB2 ASN 11 -1.849 3.124 9.090 90 HD21 ASN 11 HD22 ASN 11 0.806 2.891 9.521 91 HD22 ASN 11 HD21 ASN 11 1.564 4.402 9.675 92 HA PRO 12 HA PRO 12 -4.870 7.477 8.416 93 HB2 PRO 12 HB2 PRO 12 -3.184 9.414 9.999 94 HB3 PRO 12 HB3 PRO 12 -4.857 9.596 9.423 95 HG2 PRO 12 HG3 PRO 12 -4.403 8.990 11.951 96 HG3 PRO 12 HG2 PRO 12 -5.709 8.177 11.065 97 HD2 PRO 12 HD3 PRO 12 -3.016 7.103 11.848 98 HD3 PRO 12 HD2 PRO 12 -4.575 6.254 11.739 99 H ASP 13 H ASP 13 -1.572 6.758 8.924 100 HA ASP 13 HA ASP 13 -0.408 8.552 6.975 101 HB2 ASP 13 HB3 ASP 13 0.896 7.398 8.773 102 HB3 ASP 13 HB2 ASP 13 0.632 5.869 7.934 103 H VAL 14 H VAL 14 -1.459 5.124 6.855 104 HA VAL 14 HA VAL 14 -0.856 4.909 4.000 105 HB VAL 14 HB VAL 14 -2.494 3.141 5.840 106 HG11 VAL 14 HG11 VAL 14 -1.892 1.397 4.107 107 HG12 VAL 14 HG12 VAL 14 -1.300 2.708 3.087 108 HG13 VAL 14 HG13 VAL 14 -3.002 2.642 3.543 109 HG21 VAL 14 HG21 VAL 14 -0.133 3.492 6.571 110 HG22 VAL 14 HG22 VAL 14 0.413 2.929 4.993 111 HG23 VAL 14 HG23 VAL 14 -0.441 1.832 6.077 112 H ALA 15 H ALA 15 -3.702 5.485 6.002 113 HA ALA 15 HA ALA 15 -5.679 5.264 3.970 114 HB1 ALA 15 HB1 ALA 15 -7.103 6.468 5.456 115 HB2 ALA 15 HB2 ALA 15 -5.740 7.291 6.214 116 HB3 ALA 15 HB3 ALA 15 -5.999 5.572 6.498 117 H MET 16 H MET 16 -3.541 7.925 4.898 118 HA MET 16 HA MET 16 -4.739 9.840 3.054 119 HB2 MET 16 HB3 MET 16 -2.148 9.759 4.621 120 HB3 MET 16 HB2 MET 16 -2.540 11.086 3.528 121 HG2 MET 16 HG3 MET 16 -4.497 11.667 4.801 122 HG3 MET 16 HG2 MET 16 -4.373 10.202 5.774 123 HE1 MET 16 HE1 MET 16 -3.623 13.063 8.285 124 HE2 MET 16 HE2 MET 16 -4.746 11.810 7.741 125 HE3 MET 16 HE3 MET 16 -4.587 13.310 6.831 126 H ALA 17 H ALA 17 -2.078 7.540 3.023 127 HA ALA 17 HA ALA 17 -0.980 8.405 0.486 128 HB1 ALA 17 HB1 ALA 17 0.210 7.003 2.246 129 HB2 ALA 17 HB2 ALA 17 0.338 6.396 0.596 130 HB3 ALA 17 HB3 ALA 17 -0.788 5.645 1.728 131 H PHE 18 H PHE 18 -3.428 6.125 1.551 132 HA PHE 18 HA PHE 18 -3.888 4.696 -0.852 133 HB2 PHE 18 HB3 PHE 18 -5.413 5.409 1.585 134 HB3 PHE 18 HB2 PHE 18 -6.428 5.083 0.189 135 HD1 PHE 18 HD2 PHE 18 -3.137 3.540 1.094 136 HD2 PHE 18 HD1 PHE 18 -7.378 2.965 0.685 137 HE1 PHE 18 HE2 PHE 18 -2.854 1.112 1.503 138 HE2 PHE 18 HE1 PHE 18 -7.090 0.542 1.098 139 HZ PHE 18 HZ PHE 18 -4.829 -0.388 1.502 140 H GLN 19 H GLN 19 -4.528 8.015 -0.026 141 HA GLN 19 HA GLN 19 -6.477 8.479 -2.154 142 HB2 GLN 19 HB3 GLN 19 -4.866 10.463 -0.522 143 HB3 GLN 19 HB2 GLN 19 -6.280 10.834 -1.508 144 HG2 GLN 19 HG3 GLN 19 -7.648 9.322 -0.106 145 HG3 GLN 19 HG2 GLN 19 -6.234 8.983 0.894 146 HE21 GLN 19 HE22 GLN 19 -6.984 10.005 2.835 147 HE22 GLN 19 HE21 GLN 19 -7.276 11.674 2.941 148 H ASN 20 H ASN 20 -3.532 7.524 -2.649 149 HA ASN 20 HA ASN 20 -2.793 9.636 -4.643 150 HB2 ASN 20 HB3 ASN 20 -1.203 7.599 -3.089 151 HB3 ASN 20 HB2 ASN 20 -0.559 8.241 -4.596 152 HD21 ASN 20 HD22 ASN 20 -2.033 9.448 -1.523 153 HD22 ASN 20 HD21 ASN 20 -1.036 10.818 -1.416 154 HA PRO 21 HA PRO 21 -4.165 6.654 -7.644 155 HB2 PRO 21 HB2 PRO 21 -2.906 7.558 -9.906 156 HB3 PRO 21 HB3 PRO 21 -4.275 8.411 -9.163 157 HG2 PRO 21 HG3 PRO 21 -1.342 8.960 -8.892 158 HG3 PRO 21 HG2 PRO 21 -2.677 10.100 -9.158 159 HD2 PRO 21 HD3 PRO 21 -1.596 9.703 -6.686 160 HD3 PRO 21 HD2 PRO 21 -3.322 10.080 -6.910 161 H ARG 22 H ARG 22 -0.653 7.352 -7.815 162 HA ARG 22 HA ARG 22 0.099 4.917 -9.087 163 HB2 ARG 22 HB3 ARG 22 1.671 6.557 -7.071 164 HB3 ARG 22 HB2 ARG 22 2.349 5.365 -8.180 165 HG2 ARG 22 HG3 ARG 22 1.714 6.682 -10.102 166 HG3 ARG 22 HG2 ARG 22 0.795 7.802 -9.097 167 HD2 ARG 22 HD3 ARG 22 3.791 7.366 -8.922 168 HD3 ARG 22 HD2 ARG 22 3.009 8.733 -9.714 169 HE ARG 22 HE ARG 22 2.102 8.493 -6.988 170 HH11 ARG 22 HH22 ARG 22 4.748 9.444 -8.991 171 HH12 ARG 22 HH21 ARG 22 5.351 10.613 -7.864 172 HH21 ARG 22 HH11 ARG 22 2.877 10.015 -5.510 173 HH22 ARG 22 HH12 ARG 22 4.293 10.936 -5.895 174 H VAL 23 H VAL 23 -0.746 5.676 -5.797 175 HA VAL 23 HA VAL 23 0.296 3.226 -4.626 176 HB VAL 23 HB VAL 23 -1.745 5.247 -3.641 177 HG11 VAL 23 HG11 VAL 23 -1.210 4.218 -1.382 178 HG12 VAL 23 HG12 VAL 23 -0.428 2.896 -2.248 179 HG13 VAL 23 HG13 VAL 23 -2.155 3.187 -2.455 180 HG21 VAL 23 HG21 VAL 23 0.212 5.915 -2.178 181 HG22 VAL 23 HG22 VAL 23 0.454 6.220 -3.898 182 HG23 VAL 23 HG23 VAL 23 1.213 4.833 -3.142 183 H GLN 24 H GLN 24 -3.008 4.360 -5.448 184 HA GLN 24 HA GLN 24 -4.382 1.968 -4.849 185 HB2 GLN 24 HB3 GLN 24 -5.409 4.181 -5.578 186 HB3 GLN 24 HB2 GLN 24 -4.974 3.756 -7.232 187 HG2 GLN 24 HG3 GLN 24 -7.256 3.065 -6.916 188 HG3 GLN 24 HG2 GLN 24 -6.279 1.598 -6.913 189 HE21 GLN 24 HE22 GLN 24 -7.718 3.991 -4.634 190 HE22 GLN 24 HE21 GLN 24 -7.953 2.874 -3.377 191 H ALA 25 H ALA 25 -2.427 2.866 -7.625 192 HA ALA 25 HA ALA 25 -3.083 0.561 -9.247 193 HB1 ALA 25 HB1 ALA 25 -0.593 2.298 -9.283 194 HB2 ALA 25 HB2 ALA 25 -2.084 2.666 -10.151 195 HB3 ALA 25 HB3 ALA 25 -1.143 1.238 -10.581 196 H ALA 26 H ALA 26 -0.701 1.255 -6.747 197 HA ALA 26 HA ALA 26 0.912 -1.089 -7.183 198 HB1 ALA 26 HB1 ALA 26 1.611 0.909 -5.830 199 HB2 ALA 26 HB2 ALA 26 1.846 -0.624 -4.992 200 HB3 ALA 26 HB3 ALA 26 0.473 0.404 -4.581 201 H LEU 27 H LEU 27 -1.814 -0.401 -4.983 202 HA LEU 27 HA LEU 27 -1.852 -3.087 -3.886 203 HB2 LEU 27 HB3 LEU 27 -3.760 -0.743 -3.833 204 HB3 LEU 27 HB2 LEU 27 -4.255 -2.308 -3.190 205 HG LEU 27 HG LEU 27 -2.274 -2.298 -1.688 206 HD11 LEU 27 HD11 LEU 27 -1.112 -0.039 -1.424 207 HD12 LEU 27 HD12 LEU 27 -1.838 0.416 -2.964 208 HD13 LEU 27 HD13 LEU 27 -0.707 -0.934 -2.886 209 HD21 LEU 27 HD21 LEU 27 -3.960 0.215 -1.474 210 HD22 LEU 27 HD22 LEU 27 -3.124 -0.601 -0.153 211 HD23 LEU 27 HD23 LEU 27 -4.479 -1.391 -0.959 212 H MET 28 H MET 28 -3.783 -1.402 -6.384 213 HA MET 28 HA MET 28 -5.494 -3.594 -7.003 214 HB2 MET 28 HB3 MET 28 -4.449 -1.306 -8.694 215 HB3 MET 28 HB2 MET 28 -5.613 -2.478 -9.308 216 HG2 MET 28 HG3 MET 28 -6.073 -0.907 -6.758 217 HG3 MET 28 HG2 MET 28 -6.616 -0.344 -8.338 218 HE1 MET 28 HE1 MET 28 -10.024 -1.397 -7.198 219 HE2 MET 28 HE2 MET 28 -9.115 -0.373 -8.318 220 HE3 MET 28 HE3 MET 28 -8.765 -0.325 -6.592 221 H GLU 29 H GLU 29 -2.250 -2.732 -8.165 222 HA GLU 29 HA GLU 29 -2.097 -4.964 -10.027 223 HB2 GLU 29 HB3 GLU 29 -0.697 -2.855 -10.173 224 HB3 GLU 29 HB2 GLU 29 0.202 -3.430 -8.770 225 HG2 GLU 29 HG3 GLU 29 1.457 -4.132 -10.689 226 HG3 GLU 29 HG2 GLU 29 0.648 -5.578 -10.091 227 H CYS 30 H CYS 30 -1.305 -4.409 -6.640 228 HA CYS 30 HA CYS 30 0.365 -6.622 -6.129 229 HB2 CYS 30 HB3 CYS 30 -0.324 -4.842 -4.466 230 HB3 CYS 30 HB2 CYS 30 -1.855 -5.697 -4.284 231 HG CYS 30 HG CYS 30 -0.105 -7.834 -3.718 232 H SER 31 H SER 31 -3.103 -6.520 -6.679 233 HA SER 31 HA SER 31 -3.899 -9.004 -5.724 234 HB2 SER 31 HB3 SER 31 -5.695 -8.918 -7.350 235 HB3 SER 31 HB2 SER 31 -5.392 -7.282 -6.770 236 HG SER 31 HG SER 31 -4.109 -6.957 -8.640 237 H GLU 32 H GLU 32 -2.035 -8.235 -8.610 238 HA GLU 32 HA GLU 32 -2.246 -10.854 -9.817 239 HB2 GLU 32 HB3 GLU 32 -0.170 -8.661 -10.126 240 HB3 GLU 32 HB2 GLU 32 -0.236 -10.109 -11.131 241 HG2 GLU 32 HG3 GLU 32 -2.556 -8.176 -10.831 242 HG3 GLU 32 HG2 GLU 32 -1.374 -8.084 -12.136 243 H ASN 33 H ASN 33 0.447 -9.290 -8.026 244 HA ASN 33 HA ASN 33 1.008 -11.464 -6.336 245 HB2 ASN 33 HB3 ASN 33 1.990 -11.819 -9.103 246 HB3 ASN 33 HB2 ASN 33 3.258 -12.011 -7.900 247 HD21 ASN 33 HD22 ASN 33 1.935 -13.250 -5.783 248 HD22 ASN 33 HD21 ASN 33 1.304 -14.744 -6.284 249 HA PRO 34 HA PRO 34 3.875 -8.640 -4.467 250 HB2 PRO 34 HB2 PRO 34 6.010 -10.733 -4.847 251 HB3 PRO 34 HB3 PRO 34 5.611 -9.789 -3.395 252 HG2 PRO 34 HG3 PRO 34 4.830 -12.314 -3.615 253 HG3 PRO 34 HG2 PRO 34 3.761 -11.093 -2.896 254 HD2 PRO 34 HD3 PRO 34 3.574 -12.402 -5.584 255 HD3 PRO 34 HD2 PRO 34 2.282 -11.779 -4.533 256 H MET 35 H MET 35 4.404 -9.870 -7.610 257 HA MET 35 HA MET 35 6.869 -8.593 -8.291 258 HB2 MET 35 HB3 MET 35 4.491 -9.180 -10.085 259 HB3 MET 35 HB2 MET 35 6.142 -8.868 -10.619 260 HG2 MET 35 HG3 MET 35 5.365 -11.156 -8.789 261 HG3 MET 35 HG2 MET 35 5.548 -11.313 -10.534 262 HE1 MET 35 HE1 MET 35 7.461 -10.486 -11.793 263 HE2 MET 35 HE2 MET 35 7.960 -12.159 -11.509 264 HE3 MET 35 HE3 MET 35 9.126 -10.849 -11.346 265 H ASN 36 H ASN 36 3.910 -7.299 -7.391 266 HA ASN 36 HA ASN 36 3.647 -5.055 -9.109 267 HB2 ASN 36 HB3 ASN 36 2.547 -3.994 -7.007 268 HB3 ASN 36 HB2 ASN 36 1.820 -5.467 -7.648 269 HD21 ASN 36 HD22 ASN 36 3.536 -4.103 -4.919 270 HD22 ASN 36 HD21 ASN 36 3.518 -5.503 -3.959 271 H ILE 37 H ILE 37 5.014 -5.079 -5.814 272 HA ILE 37 HA ILE 37 6.159 -2.497 -6.023 273 HB ILE 37 HB ILE 37 5.711 -3.907 -3.919 274 HG12 ILE 37 HG13 ILE 37 7.677 -2.885 -2.704 275 HG13 ILE 37 HG12 ILE 37 8.338 -2.424 -4.270 276 HG21 ILE 37 HG21 ILE 37 8.513 -4.934 -4.428 277 HG22 ILE 37 HG22 ILE 37 7.069 -5.871 -4.813 278 HG23 ILE 37 HG23 ILE 37 7.399 -5.405 -3.145 279 HD11 ILE 37 HD11 ILE 37 5.506 -1.618 -3.713 280 HD12 ILE 37 HD12 ILE 37 6.773 -0.763 -4.595 281 HD13 ILE 37 HD13 ILE 37 6.777 -0.772 -2.837 282 H MET 38 H MET 38 7.376 -5.643 -6.984 283 HA MET 38 HA MET 38 10.126 -4.995 -7.279 284 HB2 MET 38 HB3 MET 38 8.357 -6.844 -8.907 285 HB3 MET 38 HB2 MET 38 10.115 -6.792 -9.038 286 HG2 MET 38 HG3 MET 38 10.243 -7.273 -6.568 287 HG3 MET 38 HG2 MET 38 8.495 -7.508 -6.579 288 HE1 MET 38 HE1 MET 38 9.787 -9.540 -5.368 289 HE2 MET 38 HE2 MET 38 11.375 -9.634 -6.143 290 HE3 MET 38 HE3 MET 38 10.271 -11.004 -6.220 291 H LYS 39 H LYS 39 7.346 -3.920 -8.991 292 HA LYS 39 HA LYS 39 8.960 -2.913 -11.294 293 HB2 LYS 39 HB3 LYS 39 5.963 -2.925 -10.804 294 HB3 LYS 39 HB2 LYS 39 6.756 -2.350 -12.271 295 HG2 LYS 39 HG3 LYS 39 7.575 -4.541 -12.801 296 HG3 LYS 39 HG2 LYS 39 7.135 -5.163 -11.211 297 HD2 LYS 39 HD3 LYS 39 5.489 -5.898 -12.865 298 HD3 LYS 39 HD2 LYS 39 4.738 -4.770 -11.738 299 HE2 LYS 39 HE3 LYS 39 4.748 -3.003 -13.329 300 HE3 LYS 39 HE2 LYS 39 5.914 -3.829 -14.365 301 HZ1 LYS 39 HZ1 LYS 39 3.710 -4.008 -15.281 302 HZ2 LYS 39 HZ2 LYS 39 3.119 -4.680 -13.841 303 HZ3 LYS 39 HZ3 LYS 39 4.241 -5.543 -14.781 304 H TYR 40 H TYR 40 6.759 -1.779 -8.718 305 HA TYR 40 HA TYR 40 7.173 1.027 -9.368 306 HB2 TYR 40 HB3 TYR 40 6.076 -0.222 -6.829 307 HB3 TYR 40 HB2 TYR 40 5.887 1.448 -7.346 308 HD1 TYR 40 HD1 TYR 40 4.942 1.762 -9.795 309 HD2 TYR 40 HD2 TYR 40 4.314 -1.714 -7.349 310 HE1 TYR 40 HE1 TYR 40 2.951 1.175 -11.145 311 HE2 TYR 40 HE2 TYR 40 2.324 -2.301 -8.702 312 HH TYR 40 HH TYR 40 1.562 -1.777 -11.183 313 H GLN 41 H GLN 41 9.293 -1.147 -8.271 314 HA GLN 41 HA GLN 41 10.414 -0.189 -5.885 315 HB2 GLN 41 HB3 GLN 41 12.617 -1.006 -6.865 316 HB3 GLN 41 HB2 GLN 41 11.305 -2.184 -6.880 317 HG2 GLN 41 HG3 GLN 41 10.829 -1.699 -9.217 318 HG3 GLN 41 HG2 GLN 41 12.028 -0.407 -9.226 319 HE21 GLN 41 HE22 GLN 41 12.641 -3.410 -7.471 320 HE22 GLN 41 HE21 GLN 41 13.834 -3.995 -8.527 321 H ASN 42 H ASN 42 10.448 1.229 -9.076 322 HA ASN 42 HA ASN 42 12.529 3.198 -8.387 323 HB2 ASN 42 HB3 ASN 42 12.048 4.122 -10.625 324 HB3 ASN 42 HB2 ASN 42 12.318 2.381 -10.710 325 HD21 ASN 42 HD22 ASN 42 10.217 1.015 -10.616 326 HD22 ASN 42 HD21 ASN 42 8.849 1.649 -11.396 327 H ASP 43 H ASP 43 9.055 2.900 -8.271 328 HA ASP 43 HA ASP 43 8.550 5.773 -8.123 329 HB2 ASP 43 HB3 ASP 43 6.907 3.898 -8.842 330 HB3 ASP 43 HB2 ASP 43 6.698 3.601 -7.120 331 H LYS 44 H LYS 44 9.960 6.468 -6.415 332 HA LYS 44 HA LYS 44 10.288 5.366 -3.897 333 HB2 LYS 44 HB3 LYS 44 11.505 7.361 -4.789 334 HB3 LYS 44 HB2 LYS 44 10.065 8.329 -4.473 335 HG2 LYS 44 HG3 LYS 44 10.194 7.838 -2.094 336 HG3 LYS 44 HG2 LYS 44 11.538 6.728 -2.362 337 HD2 LYS 44 HD3 LYS 44 12.922 8.585 -3.195 338 HD3 LYS 44 HD2 LYS 44 11.578 9.702 -2.954 339 HE2 LYS 44 HE3 LYS 44 13.118 9.837 -1.053 340 HE3 LYS 44 HE2 LYS 44 11.580 9.148 -0.531 341 HZ1 LYS 44 HZ1 LYS 44 13.682 7.328 -1.452 342 HZ2 LYS 44 HZ2 LYS 44 12.477 7.084 -0.284 343 HZ3 LYS 44 HZ3 LYS 44 13.843 8.024 0.090 344 H GLU 45 H GLU 45 7.502 7.065 -5.148 345 HA GLU 45 HA GLU 45 6.289 7.703 -2.620 346 HB2 GLU 45 HB3 GLU 45 5.632 8.640 -4.891 347 HB3 GLU 45 HB2 GLU 45 4.843 7.099 -5.219 348 HG2 GLU 45 HG3 GLU 45 3.146 8.575 -4.370 349 HG3 GLU 45 HG2 GLU 45 3.517 7.440 -3.074 350 H VAL 46 H VAL 46 5.793 4.962 -4.863 351 HA VAL 46 HA VAL 46 3.947 3.584 -3.156 352 HB VAL 46 HB VAL 46 5.788 2.425 -5.263 353 HG11 VAL 46 HG11 VAL 46 4.833 0.681 -3.875 354 HG12 VAL 46 HG12 VAL 46 3.964 0.694 -5.408 355 HG13 VAL 46 HG13 VAL 46 3.235 1.418 -3.974 356 HG21 VAL 46 HG21 VAL 46 4.325 4.305 -6.064 357 HG22 VAL 46 HG22 VAL 46 2.922 3.386 -5.522 358 HG23 VAL 46 HG23 VAL 46 3.942 2.757 -6.816 359 H MET 47 H MET 47 7.483 3.482 -3.475 360 HA MET 47 HA MET 47 7.888 1.186 -1.807 361 HB2 MET 47 HB3 MET 47 9.659 3.573 -2.413 362 HB3 MET 47 HB2 MET 47 10.202 2.185 -1.470 363 HG2 MET 47 HG3 MET 47 9.035 1.924 -4.254 364 HG3 MET 47 HG2 MET 47 10.763 2.094 -3.950 365 HE1 MET 47 HE1 MET 47 11.898 0.558 -1.932 366 HE2 MET 47 HE2 MET 47 12.274 0.251 -3.633 367 HE3 MET 47 HE3 MET 47 11.982 -1.095 -2.535 368 H ASP 48 H ASP 48 7.745 4.651 -1.070 369 HA ASP 48 HA ASP 48 8.360 4.523 1.691 370 HB2 ASP 48 HB3 ASP 48 6.567 6.347 0.071 371 HB3 ASP 48 HB2 ASP 48 6.875 6.620 1.786 372 H VAL 49 H VAL 49 5.161 4.507 0.143 373 HA VAL 49 HA VAL 49 3.728 4.035 2.595 374 HB VAL 49 HB VAL 49 2.757 5.166 0.631 375 HG11 VAL 49 HG11 VAL 49 2.283 4.025 -1.390 376 HG12 VAL 49 HG12 VAL 49 2.716 2.465 -0.711 377 HG13 VAL 49 HG13 VAL 49 3.956 3.682 -1.001 378 HG21 VAL 49 HG21 VAL 49 0.594 4.032 0.626 379 HG22 VAL 49 HG22 VAL 49 1.265 4.004 2.255 380 HG23 VAL 49 HG23 VAL 49 1.332 2.559 1.246 381 H PHE 50 H PHE 50 4.644 1.872 -0.118 382 HA PHE 50 HA PHE 50 3.325 -0.400 1.055 383 HB2 PHE 50 HB3 PHE 50 4.357 0.113 -1.423 384 HB3 PHE 50 HB2 PHE 50 5.594 -0.966 -0.784 385 HD1 PHE 50 HD1 PHE 50 1.876 -0.593 -1.009 386 HD2 PHE 50 HD2 PHE 50 5.203 -3.310 -0.918 387 HE1 PHE 50 HE1 PHE 50 0.336 -2.487 -1.405 388 HE2 PHE 50 HE2 PHE 50 3.661 -5.204 -1.319 389 HZ PHE 50 HZ PHE 50 1.227 -4.799 -1.563 390 H ASN 51 H ASN 51 6.528 0.978 1.461 391 HA ASN 51 HA ASN 51 7.629 -1.375 2.793 392 HB2 ASN 51 HB3 ASN 51 8.504 1.534 2.743 393 HB3 ASN 51 HB2 ASN 51 9.404 0.252 3.550 394 HD21 ASN 51 HD22 ASN 51 7.690 -0.542 0.595 395 HD22 ASN 51 HD21 ASN 51 9.063 -0.663 -0.396 396 H LYS 52 H LYS 52 5.790 1.463 3.654 397 HA LYS 52 HA LYS 52 6.175 1.147 6.537 398 HB2 LYS 52 HB3 LYS 52 5.576 3.331 5.411 399 HB3 LYS 52 HB2 LYS 52 3.978 2.661 5.084 400 HG2 LYS 52 HG3 LYS 52 3.662 2.281 7.509 401 HG3 LYS 52 HG2 LYS 52 5.231 3.019 7.821 402 HD2 LYS 52 HD3 LYS 52 2.897 4.398 6.455 403 HD3 LYS 52 HD2 LYS 52 3.352 4.623 8.143 404 HE2 LYS 52 HE3 LYS 52 4.460 6.429 7.169 405 HE3 LYS 52 HE2 LYS 52 5.729 5.210 7.068 406 HZ1 LYS 52 HZ1 LYS 52 4.753 6.616 4.985 407 HZ2 LYS 52 HZ2 LYS 52 3.880 5.167 4.859 408 HZ3 LYS 52 HZ3 LYS 52 5.579 5.136 4.857 409 H ILE 53 H ILE 53 3.598 0.542 4.203 410 HA ILE 53 HA ILE 53 1.667 -0.585 5.895 411 HB ILE 53 HB ILE 53 2.270 -0.492 3.044 412 HG12 ILE 53 HG13 ILE 53 0.421 0.700 4.168 413 HG13 ILE 53 HG12 ILE 53 -0.127 -0.274 2.813 414 HG21 ILE 53 HG21 ILE 53 0.902 -2.455 2.366 415 HG22 ILE 53 HG22 ILE 53 0.958 -3.027 4.030 416 HG23 ILE 53 HG23 ILE 53 2.447 -2.892 3.088 417 HD11 ILE 53 HD11 ILE 53 -0.200 -1.875 5.225 418 HD12 ILE 53 HD12 ILE 53 -1.522 -1.416 4.154 419 HD13 ILE 53 HD13 ILE 53 -1.061 -0.363 5.484 420 H SER 54 H SER 54 4.593 -1.968 4.569 421 HA SER 54 HA SER 54 3.933 -4.697 5.410 422 HB2 SER 54 HB3 SER 54 5.399 -4.019 3.433 423 HB3 SER 54 HB2 SER 54 6.653 -3.648 4.611 424 HG SER 54 HG SER 54 6.495 -5.804 5.337 425 H GLN 55 H GLN 55 5.878 -2.041 6.700 426 HA GLN 55 HA GLN 55 7.087 -3.748 8.768 427 HB2 GLN 55 HB3 GLN 55 7.147 -0.758 8.288 428 HB3 GLN 55 HB2 GLN 55 8.033 -1.558 9.587 429 HG2 GLN 55 HG3 GLN 55 8.330 -2.334 6.670 430 HG3 GLN 55 HG2 GLN 55 9.368 -1.146 7.458 431 HE21 GLN 55 HE22 GLN 55 9.423 -4.301 6.581 432 HE22 GLN 55 HE21 GLN 55 10.368 -4.951 7.832 433 H LEU 56 H LEU 56 4.673 -1.115 8.760 434 HA LEU 56 HA LEU 56 4.251 -1.325 11.640 435 HB2 LEU 56 HB3 LEU 56 2.819 0.119 9.405 436 HB3 LEU 56 HB2 LEU 56 2.161 0.101 11.040 437 HG LEU 56 HG LEU 56 4.309 1.028 11.890 438 HD11 LEU 56 HD11 LEU 56 5.810 2.056 10.044 439 HD12 LEU 56 HD12 LEU 56 5.018 0.922 8.950 440 HD13 LEU 56 HD13 LEU 56 5.940 0.322 10.328 441 HD21 LEU 56 HD21 LEU 56 4.033 3.305 10.791 442 HD22 LEU 56 HD22 LEU 56 2.552 2.605 11.441 443 HD23 LEU 56 HD23 LEU 56 2.862 2.556 9.708 444 H PHE 57 H PHE 57 3.558 -3.491 9.330 445 HA PHE 57 HA PHE 57 1.087 -4.466 10.732 446 HB2 PHE 57 HB3 PHE 57 1.711 -4.645 7.771 447 HB3 PHE 57 HB2 PHE 57 0.298 -5.323 8.562 448 HD1 PHE 57 HD2 PHE 57 2.092 -1.996 8.266 449 HD2 PHE 57 HD1 PHE 57 -1.679 -4.057 8.532 450 HE1 PHE 57 HE2 PHE 57 0.896 0.154 8.019 451 HE2 PHE 57 HE1 PHE 57 -2.859 -1.898 8.263 452 HZ PHE 57 HZ PHE 57 -1.579 0.203 8.016 453 HA PRO 58 HA PRO 58 4.816 -7.429 10.935 454 HB2 PRO 58 HB2 PRO 58 3.016 -8.100 13.261 455 HB3 PRO 58 HB3 PRO 58 4.791 -8.144 13.171 456 HG2 PRO 58 HG3 PRO 58 3.559 -6.113 14.349 457 HG3 PRO 58 HG2 PRO 58 4.988 -5.838 13.333 458 HD2 PRO 58 HD3 PRO 58 2.122 -5.222 12.741 459 HD3 PRO 58 HD2 PRO 58 3.595 -4.429 12.142 460 H GLY 59 H GLY 59 1.327 -7.769 10.865 461 HA2 GLY 59 HA3 GLY 59 1.363 -9.927 9.013 462 HA3 GLY 59 HA2 GLY 59 1.132 -10.600 10.628 463 H MET 60 H MET 60 -0.108 -7.733 8.868 464 HA MET 60 HA MET 60 -2.288 -6.871 8.750 465 HB2 MET 60 HB3 MET 60 -3.078 -9.795 8.902 466 HB3 MET 60 HB2 MET 60 -4.009 -8.478 8.190 467 HG2 MET 60 HG3 MET 60 -2.135 -8.113 6.560 468 HG3 MET 60 HG2 MET 60 -1.351 -9.554 7.208 469 HE1 MET 60 HE1 MET 60 -3.245 -12.501 6.004 470 HE2 MET 60 HE2 MET 60 -2.974 -11.810 7.610 471 HE3 MET 60 HE3 MET 60 -1.683 -11.794 6.410 472 H THR 61 H THR 61 -1.941 -6.038 10.997 473 HA THR 61 HA THR 61 -2.894 -7.505 13.284 474 HB THR 61 HB THR 61 -2.735 -5.401 14.471 475 HG1 THR 61 HG1 THR 61 -2.806 -4.330 11.858 476 HG21 THR 61 HG21 THR 61 -0.458 -4.727 13.891 477 HG22 THR 61 HG22 THR 61 -0.614 -5.487 12.307 478 HG23 THR 61 HG23 THR 61 -0.609 -6.479 13.765 479 H GLY 62 H GLY 62 -4.989 -8.259 13.147 480 HA2 GLY 62 HA3 GLY 62 -7.144 -6.888 11.861 481 HA3 GLY 62 HA2 GLY 62 -7.333 -8.189 13.038 Start of MODEL 11 1 H2 PRO 1 H2 PRO 1 -16.001 -1.418 1.470 2 H3 PRO 1 H3 PRO 1 -15.885 -2.842 0.544 3 HA PRO 1 HA PRO 1 -14.140 -3.413 1.774 4 HB2 PRO 1 HB2 PRO 1 -12.119 -1.595 1.260 5 HB3 PRO 1 HB3 PRO 1 -12.618 -2.853 0.111 6 HG2 PRO 1 HG3 PRO 1 -13.266 0.052 0.122 7 HG3 PRO 1 HG2 PRO 1 -13.045 -1.051 -1.251 8 HD2 PRO 1 HD3 PRO 1 -15.521 -0.226 -0.316 9 HD3 PRO 1 HD2 PRO 1 -15.252 -1.711 -1.236 10 H GLU 2 H GLU 2 -16.036 -1.256 2.892 11 HA GLU 2 HA GLU 2 -14.632 0.562 4.538 12 HB2 GLU 2 HB3 GLU 2 -17.181 -0.911 5.263 13 HB3 GLU 2 HB2 GLU 2 -16.634 0.634 5.917 14 HG2 GLU 2 HG3 GLU 2 -16.723 1.591 3.607 15 HG3 GLU 2 HG2 GLU 2 -17.407 0.066 3.041 16 H GLU 3 H GLU 3 -15.068 -2.887 4.842 17 HA GLU 3 HA GLU 3 -14.511 -3.183 7.620 18 HB2 GLU 3 HB3 GLU 3 -15.342 -5.022 6.186 19 HB3 GLU 3 HB2 GLU 3 -13.794 -5.054 5.340 20 HG2 GLU 3 HG3 GLU 3 -12.624 -5.713 7.344 21 HG3 GLU 3 HG2 GLU 3 -14.062 -5.456 8.333 22 H VAL 4 H VAL 4 -12.246 -3.511 4.853 23 HA VAL 4 HA VAL 4 -9.917 -3.622 6.534 24 HB VAL 4 HB VAL 4 -10.159 -2.821 3.619 25 HG11 VAL 4 HG11 VAL 4 -8.007 -2.122 4.471 26 HG12 VAL 4 HG12 VAL 4 -7.753 -3.618 3.575 27 HG13 VAL 4 HG13 VAL 4 -7.797 -3.644 5.338 28 HG21 VAL 4 HG21 VAL 4 -9.536 -5.488 4.922 29 HG22 VAL 4 HG22 VAL 4 -9.616 -5.174 3.188 30 HG23 VAL 4 HG23 VAL 4 -11.075 -5.063 4.173 31 H ILE 5 H ILE 5 -11.294 -0.941 4.598 32 HA ILE 5 HA ILE 5 -9.442 1.049 5.220 33 HB ILE 5 HB ILE 5 -12.448 1.361 5.039 34 HG12 ILE 5 HG13 ILE 5 -10.331 1.767 2.899 35 HG13 ILE 5 HG12 ILE 5 -11.254 0.274 3.072 36 HG21 ILE 5 HG21 ILE 5 -11.516 3.350 6.024 37 HG22 ILE 5 HG22 ILE 5 -11.786 3.713 4.323 38 HG23 ILE 5 HG23 ILE 5 -10.160 3.347 4.897 39 HD11 ILE 5 HD11 ILE 5 -13.347 1.478 2.726 40 HD12 ILE 5 HD12 ILE 5 -12.249 1.823 1.389 41 HD13 ILE 5 HD13 ILE 5 -12.485 3.016 2.667 42 H SER 6 H SER 6 -11.774 -0.469 7.297 43 HA SER 6 HA SER 6 -11.794 1.569 9.348 44 HB2 SER 6 HB3 SER 6 -12.944 -0.012 10.677 45 HB3 SER 6 HB2 SER 6 -13.388 -0.478 9.038 46 HG SER 6 HG SER 6 -11.394 -1.610 10.710 47 H LYS 7 H LYS 7 -9.784 -1.275 8.670 48 HA LYS 7 HA LYS 7 -8.244 -0.993 11.130 49 HB2 LYS 7 HB3 LYS 7 -7.112 -2.916 10.485 50 HB3 LYS 7 HB2 LYS 7 -8.625 -3.113 9.618 51 HG2 LYS 7 HG3 LYS 7 -7.207 -3.528 7.844 52 HG3 LYS 7 HG2 LYS 7 -7.226 -1.781 7.707 53 HD2 LYS 7 HD3 LYS 7 -4.926 -2.212 7.695 54 HD3 LYS 7 HD2 LYS 7 -5.198 -1.902 9.406 55 HE2 LYS 7 HE3 LYS 7 -3.889 -3.906 9.284 56 HE3 LYS 7 HE2 LYS 7 -5.526 -4.424 9.676 57 HZ1 LYS 7 HZ1 LYS 7 -5.723 -5.486 7.747 58 HZ2 LYS 7 HZ2 LYS 7 -4.039 -5.340 7.608 59 HZ3 LYS 7 HZ3 LYS 7 -5.053 -4.204 6.856 60 H ILE 8 H ILE 8 -7.942 0.242 7.856 61 HA ILE 8 HA ILE 8 -5.202 1.037 7.966 62 HB ILE 8 HB ILE 8 -7.422 2.527 6.536 63 HG12 ILE 8 HG13 ILE 8 -7.487 0.036 6.076 64 HG13 ILE 8 HG12 ILE 8 -7.205 1.038 4.663 65 HG21 ILE 8 HG21 ILE 8 -5.579 2.969 4.894 66 HG22 ILE 8 HG22 ILE 8 -4.453 2.230 6.034 67 HG23 ILE 8 HG23 ILE 8 -5.324 3.697 6.478 68 HD11 ILE 8 HD11 ILE 8 -5.750 -0.982 4.745 69 HD12 ILE 8 HD12 ILE 8 -5.014 -0.361 6.216 70 HD13 ILE 8 HD13 ILE 8 -4.835 0.521 4.703 71 H MET 9 H MET 9 -7.988 2.284 9.573 72 HA MET 9 HA MET 9 -7.202 5.000 9.915 73 HB2 MET 9 HB3 MET 9 -8.794 5.084 11.702 74 HB3 MET 9 HB2 MET 9 -9.443 3.946 10.525 75 HG2 MET 9 HG3 MET 9 -9.722 2.720 12.494 76 HG3 MET 9 HG2 MET 9 -8.125 2.160 12.002 77 HE1 MET 9 HE1 MET 9 -7.218 2.212 15.617 78 HE2 MET 9 HE2 MET 9 -6.991 1.487 14.020 79 HE3 MET 9 HE3 MET 9 -8.589 1.510 14.763 80 H GLU 10 H GLU 10 -5.634 2.215 10.923 81 HA GLU 10 HA GLU 10 -4.663 3.049 13.502 82 HB2 GLU 10 HB3 GLU 10 -3.010 1.269 13.230 83 HB3 GLU 10 HB2 GLU 10 -4.589 0.701 12.692 84 HG2 GLU 10 HG3 GLU 10 -3.932 1.264 10.336 85 HG3 GLU 10 HG2 GLU 10 -2.316 1.662 10.921 86 H ASN 11 H ASN 11 -4.029 4.245 10.399 87 HA ASN 11 HA ASN 11 -1.852 5.923 11.426 88 HB2 ASN 11 HB3 ASN 11 -0.709 3.803 10.726 89 HB3 ASN 11 HB2 ASN 11 -1.316 4.064 9.091 90 HD21 ASN 11 HD22 ASN 11 -0.709 7.074 10.538 91 HD22 ASN 11 HD21 ASN 11 0.841 7.346 9.901 92 HA PRO 12 HA PRO 12 -4.753 8.080 8.494 93 HB2 PRO 12 HB2 PRO 12 -3.053 10.290 9.648 94 HB3 PRO 12 HB3 PRO 12 -4.798 10.281 9.307 95 HG2 PRO 12 HG3 PRO 12 -3.944 9.971 11.787 96 HG3 PRO 12 HG2 PRO 12 -5.285 8.979 11.178 97 HD2 PRO 12 HD3 PRO 12 -2.426 8.188 11.652 98 HD3 PRO 12 HD2 PRO 12 -3.907 7.221 11.845 99 H ASP 13 H ASP 13 -1.372 7.686 8.654 100 HA ASP 13 HA ASP 13 -0.601 9.314 6.387 101 HB2 ASP 13 HB3 ASP 13 0.988 8.485 8.148 102 HB3 ASP 13 HB2 ASP 13 0.785 6.856 7.504 103 H VAL 14 H VAL 14 -1.461 5.883 6.828 104 HA VAL 14 HA VAL 14 -1.076 5.224 4.014 105 HB VAL 14 HB VAL 14 -2.641 3.796 6.191 106 HG11 VAL 14 HG11 VAL 14 -2.246 1.804 4.660 107 HG12 VAL 14 HG12 VAL 14 -1.730 2.954 3.426 108 HG13 VAL 14 HG13 VAL 14 -3.376 3.007 4.047 109 HG21 VAL 14 HG21 VAL 14 -0.667 2.469 6.540 110 HG22 VAL 14 HG22 VAL 14 -0.148 4.153 6.581 111 HG23 VAL 14 HG23 VAL 14 0.133 3.178 5.139 112 H ALA 15 H ALA 15 -3.767 6.143 6.081 113 HA ALA 15 HA ALA 15 -5.860 5.735 4.182 114 HB1 ALA 15 HB1 ALA 15 -5.748 7.847 6.346 115 HB2 ALA 15 HB2 ALA 15 -6.089 6.148 6.668 116 HB3 ALA 15 HB3 ALA 15 -7.186 7.092 5.660 117 H MET 16 H MET 16 -3.738 8.497 4.862 118 HA MET 16 HA MET 16 -5.036 10.237 2.909 119 HB2 MET 16 HB3 MET 16 -2.535 10.344 4.587 120 HB3 MET 16 HB2 MET 16 -2.711 11.476 3.247 121 HG2 MET 16 HG3 MET 16 -3.546 12.334 5.485 122 HG3 MET 16 HG2 MET 16 -4.727 12.398 4.179 123 HE1 MET 16 HE1 MET 16 -6.590 11.632 7.573 124 HE2 MET 16 HE2 MET 16 -6.762 12.572 6.084 125 HE3 MET 16 HE3 MET 16 -5.311 12.735 7.070 126 H ALA 17 H ALA 17 -2.281 8.044 3.004 127 HA ALA 17 HA ALA 17 -1.271 8.729 0.379 128 HB1 ALA 17 HB1 ALA 17 -0.003 7.498 2.214 129 HB2 ALA 17 HB2 ALA 17 0.115 6.778 0.609 130 HB3 ALA 17 HB3 ALA 17 -0.965 6.076 1.813 131 H PHE 18 H PHE 18 -3.640 6.472 1.657 132 HA PHE 18 HA PHE 18 -4.084 4.834 -0.605 133 HB2 PHE 18 HB3 PHE 18 -5.602 5.703 1.790 134 HB3 PHE 18 HB2 PHE 18 -6.627 5.237 0.440 135 HD1 PHE 18 HD1 PHE 18 -3.271 3.854 1.379 136 HD2 PHE 18 HD2 PHE 18 -7.507 3.144 1.148 137 HE1 PHE 18 HE1 PHE 18 -2.909 1.472 1.952 138 HE2 PHE 18 HE2 PHE 18 -7.138 0.766 1.724 139 HZ PHE 18 HZ PHE 18 -4.839 -0.075 2.120 140 H GLN 19 H GLN 19 -4.696 8.199 -0.125 141 HA GLN 19 HA GLN 19 -6.630 8.396 -2.350 142 HB2 GLN 19 HB3 GLN 19 -5.274 10.554 -0.702 143 HB3 GLN 19 HB2 GLN 19 -6.596 10.806 -1.842 144 HG2 GLN 19 HG3 GLN 19 -8.006 9.249 -0.491 145 HG3 GLN 19 HG2 GLN 19 -6.696 9.132 0.685 146 HE21 GLN 19 HE22 GLN 19 -8.298 10.129 2.248 147 HE22 GLN 19 HE21 GLN 19 -8.509 11.813 2.236 148 H ASN 20 H ASN 20 -3.750 7.471 -2.710 149 HA ASN 20 HA ASN 20 -2.840 9.569 -4.647 150 HB2 ASN 20 HB3 ASN 20 -1.312 7.408 -3.163 151 HB3 ASN 20 HB2 ASN 20 -0.612 8.375 -4.460 152 HD21 ASN 20 HD22 ASN 20 0.682 8.705 -2.102 153 HD22 ASN 20 HD21 ASN 20 0.252 10.160 -1.342 154 HA PRO 21 HA PRO 21 -3.939 6.592 -7.747 155 HB2 PRO 21 HB2 PRO 21 -2.348 7.368 -9.846 156 HB3 PRO 21 HB3 PRO 21 -3.755 8.309 -9.308 157 HG2 PRO 21 HG3 PRO 21 -0.859 8.721 -8.667 158 HG3 PRO 21 HG2 PRO 21 -2.087 9.917 -9.124 159 HD2 PRO 21 HD3 PRO 21 -1.356 9.531 -6.525 160 HD3 PRO 21 HD2 PRO 21 -3.017 9.984 -6.979 161 H ARG 22 H ARG 22 -0.416 7.104 -7.413 162 HA ARG 22 HA ARG 22 0.371 4.603 -8.544 163 HB2 ARG 22 HB3 ARG 22 1.855 6.022 -6.315 164 HB3 ARG 22 HB2 ARG 22 2.528 5.022 -7.602 165 HG2 ARG 22 HG3 ARG 22 1.207 7.734 -7.940 166 HG3 ARG 22 HG2 ARG 22 2.924 7.382 -8.103 167 HD2 ARG 22 HD3 ARG 22 2.230 5.701 -9.938 168 HD3 ARG 22 HD2 ARG 22 0.664 6.514 -9.912 169 HE ARG 22 HE ARG 22 2.590 8.546 -10.156 170 HH11 ARG 22 HH22 ARG 22 1.534 5.729 -11.849 171 HH12 ARG 22 HH21 ARG 22 1.949 6.352 -13.410 172 HH21 ARG 22 HH11 ARG 22 3.136 9.371 -12.186 173 HH22 ARG 22 HH12 ARG 22 2.855 8.412 -13.601 174 H VAL 23 H VAL 23 -0.666 5.509 -5.301 175 HA VAL 23 HA VAL 23 0.037 2.957 -4.092 176 HB VAL 23 HB VAL 23 -1.906 5.098 -3.167 177 HG11 VAL 23 HG11 VAL 23 -1.449 4.040 -0.913 178 HG12 VAL 23 HG12 VAL 23 -0.657 2.716 -1.766 179 HG13 VAL 23 HG13 VAL 23 -2.375 3.025 -2.018 180 HG21 VAL 23 HG21 VAL 23 0.975 4.576 -2.370 181 HG22 VAL 23 HG22 VAL 23 -0.049 5.892 -1.796 182 HG23 VAL 23 HG23 VAL 23 0.468 5.846 -3.482 183 H GLN 24 H GLN 24 -3.083 4.439 -5.070 184 HA GLN 24 HA GLN 24 -4.680 2.133 -4.583 185 HB2 GLN 24 HB3 GLN 24 -4.999 4.344 -6.640 186 HB3 GLN 24 HB2 GLN 24 -6.243 3.147 -6.281 187 HG2 GLN 24 HG3 GLN 24 -5.013 4.953 -4.176 188 HG3 GLN 24 HG2 GLN 24 -6.500 5.343 -5.040 189 HE21 GLN 24 HE22 GLN 24 -5.648 4.260 -2.118 190 HE22 GLN 24 HE21 GLN 24 -6.879 3.133 -1.813 191 H ALA 25 H ALA 25 -2.664 3.086 -7.300 192 HA ALA 25 HA ALA 25 -3.509 0.914 -9.045 193 HB1 ALA 25 HB1 ALA 25 -1.546 1.583 -10.395 194 HB2 ALA 25 HB2 ALA 25 -0.995 2.621 -9.080 195 HB3 ALA 25 HB3 ALA 25 -2.494 2.996 -9.930 196 H ALA 26 H ALA 26 -1.084 1.384 -6.560 197 HA ALA 26 HA ALA 26 0.472 -0.970 -7.172 198 HB1 ALA 26 HB1 ALA 26 0.116 0.469 -4.522 199 HB2 ALA 26 HB2 ALA 26 1.308 0.892 -5.749 200 HB3 ALA 26 HB3 ALA 26 1.409 -0.662 -4.922 201 H LEU 27 H LEU 27 -2.263 -0.300 -4.994 202 HA LEU 27 HA LEU 27 -2.388 -2.996 -3.941 203 HB2 LEU 27 HB3 LEU 27 -4.402 -0.734 -4.035 204 HB3 LEU 27 HB2 LEU 27 -4.721 -2.265 -3.224 205 HG LEU 27 HG LEU 27 -2.220 -0.700 -2.554 206 HD11 LEU 27 HD11 LEU 27 -3.491 0.397 -0.722 207 HD12 LEU 27 HD12 LEU 27 -4.985 -0.252 -1.397 208 HD13 LEU 27 HD13 LEU 27 -4.034 0.914 -2.318 209 HD21 LEU 27 HD21 LEU 27 -2.426 -2.977 -1.645 210 HD22 LEU 27 HD22 LEU 27 -4.017 -2.594 -0.993 211 HD23 LEU 27 HD23 LEU 27 -2.583 -1.803 -0.344 212 H MET 28 H MET 28 -4.281 -1.237 -6.416 213 HA MET 28 HA MET 28 -5.943 -3.414 -7.168 214 HB2 MET 28 HB3 MET 28 -6.230 -1.035 -7.930 215 HB3 MET 28 HB2 MET 28 -4.837 -1.246 -8.988 216 HG2 MET 28 HG3 MET 28 -7.181 -3.147 -9.160 217 HG3 MET 28 HG2 MET 28 -7.220 -1.597 -9.997 218 HE1 MET 28 HE1 MET 28 -6.324 -1.417 -12.498 219 HE2 MET 28 HE2 MET 28 -4.573 -1.650 -12.597 220 HE3 MET 28 HE3 MET 28 -5.267 -0.704 -11.282 221 H GLU 29 H GLU 29 -2.699 -2.457 -8.238 222 HA GLU 29 HA GLU 29 -2.467 -4.618 -10.171 223 HB2 GLU 29 HB3 GLU 29 -1.145 -2.486 -10.284 224 HB3 GLU 29 HB2 GLU 29 -0.260 -3.009 -8.851 225 HG2 GLU 29 HG3 GLU 29 0.604 -4.950 -10.006 226 HG3 GLU 29 HG2 GLU 29 -0.425 -4.637 -11.404 227 H CYS 30 H CYS 30 -1.817 -4.219 -6.734 228 HA CYS 30 HA CYS 30 -0.043 -6.423 -6.362 229 HB2 CYS 30 HB3 CYS 30 -0.600 -4.774 -4.580 230 HB3 CYS 30 HB2 CYS 30 -2.213 -5.475 -4.464 231 HG CYS 30 HG CYS 30 0.266 -6.624 -3.190 232 H SER 31 H SER 31 -3.534 -6.303 -6.792 233 HA SER 31 HA SER 31 -4.293 -8.825 -5.913 234 HB2 SER 31 HB3 SER 31 -5.927 -7.225 -6.741 235 HB3 SER 31 HB2 SER 31 -5.241 -7.318 -8.361 236 HG SER 31 HG SER 31 -7.179 -8.725 -7.559 237 H GLU 32 H GLU 32 -2.445 -7.964 -8.762 238 HA GLU 32 HA GLU 32 -2.751 -10.492 -10.130 239 HB2 GLU 32 HB3 GLU 32 -0.594 -8.367 -10.313 240 HB3 GLU 32 HB2 GLU 32 -0.739 -9.738 -11.414 241 HG2 GLU 32 HG3 GLU 32 -2.981 -8.992 -12.082 242 HG3 GLU 32 HG2 GLU 32 -2.881 -7.641 -10.952 243 H ASN 33 H ASN 33 -0.019 -9.143 -8.237 244 HA ASN 33 HA ASN 33 0.501 -11.395 -6.671 245 HB2 ASN 33 HB3 ASN 33 1.412 -11.700 -9.471 246 HB3 ASN 33 HB2 ASN 33 2.700 -11.970 -8.305 247 HD21 ASN 33 HD22 ASN 33 2.569 -14.289 -9.087 248 HD22 ASN 33 HD21 ASN 33 1.392 -15.310 -8.413 249 HA PRO 34 HA PRO 34 3.506 -8.748 -4.770 250 HB2 PRO 34 HB2 PRO 34 5.559 -10.900 -5.260 251 HB3 PRO 34 HB3 PRO 34 5.218 -9.994 -3.769 252 HG2 PRO 34 HG3 PRO 34 4.345 -12.482 -4.065 253 HG3 PRO 34 HG2 PRO 34 3.335 -11.253 -3.280 254 HD2 PRO 34 HD3 PRO 34 3.046 -12.456 -6.007 255 HD3 PRO 34 HD2 PRO 34 1.799 -11.823 -4.909 256 H MET 35 H MET 35 3.938 -9.883 -7.963 257 HA MET 35 HA MET 35 6.437 -8.665 -8.641 258 HB2 MET 35 HB3 MET 35 4.006 -9.146 -10.395 259 HB3 MET 35 HB2 MET 35 5.638 -8.810 -10.971 260 HG2 MET 35 HG3 MET 35 4.940 -11.167 -9.198 261 HG3 MET 35 HG2 MET 35 5.031 -11.262 -10.955 262 HE1 MET 35 HE1 MET 35 8.569 -10.785 -11.934 263 HE2 MET 35 HE2 MET 35 6.882 -10.385 -12.282 264 HE3 MET 35 HE3 MET 35 7.370 -12.066 -12.089 265 H ASN 36 H ASN 36 3.543 -7.308 -7.641 266 HA ASN 36 HA ASN 36 3.342 -4.990 -9.273 267 HB2 ASN 36 HB3 ASN 36 2.290 -3.985 -7.119 268 HB3 ASN 36 HB2 ASN 36 1.510 -5.400 -7.823 269 HD21 ASN 36 HD22 ASN 36 3.460 -4.270 -5.102 270 HD22 ASN 36 HD21 ASN 36 3.321 -5.689 -4.181 271 H ILE 37 H ILE 37 4.837 -5.306 -6.046 272 HA ILE 37 HA ILE 37 6.046 -2.731 -6.096 273 HB ILE 37 HB ILE 37 5.646 -4.361 -4.107 274 HG12 ILE 37 HG13 ILE 37 7.643 -3.401 -2.872 275 HG13 ILE 37 HG12 ILE 37 8.207 -2.758 -4.412 276 HG21 ILE 37 HG21 ILE 37 8.462 -5.248 -4.776 277 HG22 ILE 37 HG22 ILE 37 7.040 -6.188 -5.230 278 HG23 ILE 37 HG23 ILE 37 7.386 -5.880 -3.529 279 HD11 ILE 37 HD11 ILE 37 6.602 -1.115 -4.466 280 HD12 ILE 37 HD12 ILE 37 6.636 -1.346 -2.721 281 HD13 ILE 37 HD13 ILE 37 5.378 -2.116 -3.684 282 H MET 38 H MET 38 6.987 -5.745 -7.535 283 HA MET 38 HA MET 38 9.791 -5.150 -7.861 284 HB2 MET 38 HB3 MET 38 7.933 -6.963 -9.431 285 HB3 MET 38 HB2 MET 38 9.683 -6.919 -9.634 286 HG2 MET 38 HG3 MET 38 8.344 -7.459 -6.970 287 HG3 MET 38 HG2 MET 38 8.836 -8.737 -8.080 288 HE1 MET 38 HE1 MET 38 11.581 -9.195 -5.524 289 HE2 MET 38 HE2 MET 38 10.695 -10.003 -6.824 290 HE3 MET 38 HE3 MET 38 9.820 -9.176 -5.538 291 H LYS 39 H LYS 39 7.265 -3.430 -8.927 292 HA LYS 39 HA LYS 39 8.669 -2.556 -11.434 293 HB2 LYS 39 HB3 LYS 39 5.678 -2.725 -10.938 294 HB3 LYS 39 HB2 LYS 39 6.438 -2.044 -12.378 295 HG2 LYS 39 HG3 LYS 39 7.358 -4.169 -13.010 296 HG3 LYS 39 HG2 LYS 39 6.939 -4.886 -11.455 297 HD2 LYS 39 HD3 LYS 39 5.333 -5.601 -13.163 298 HD3 LYS 39 HD2 LYS 39 4.533 -4.579 -11.971 299 HE2 LYS 39 HE3 LYS 39 4.447 -2.726 -13.452 300 HE3 LYS 39 HE2 LYS 39 5.666 -3.416 -14.525 301 HZ1 LYS 39 HZ1 LYS 39 3.679 -5.290 -14.435 302 HZ2 LYS 39 HZ2 LYS 39 3.976 -4.201 -15.701 303 HZ3 LYS 39 HZ3 LYS 39 2.842 -3.812 -14.497 304 H TYR 40 H TYR 40 6.517 -1.645 -8.743 305 HA TYR 40 HA TYR 40 6.749 1.203 -9.306 306 HB2 TYR 40 HB3 TYR 40 5.807 -0.234 -6.804 307 HB3 TYR 40 HB2 TYR 40 5.577 1.467 -7.174 308 HD1 TYR 40 HD1 TYR 40 4.502 1.981 -9.523 309 HD2 TYR 40 HD2 TYR 40 4.046 -1.713 -7.376 310 HE1 TYR 40 HE1 TYR 40 2.446 1.489 -10.814 311 HE2 TYR 40 HE2 TYR 40 1.990 -2.204 -8.671 312 HH TYR 40 HH TYR 40 1.193 -0.851 -11.451 313 H GLN 41 H GLN 41 8.978 -0.955 -8.281 314 HA GLN 41 HA GLN 41 10.154 0.036 -5.941 315 HB2 GLN 41 HB3 GLN 41 12.362 -0.687 -7.051 316 HB3 GLN 41 HB2 GLN 41 11.106 -1.918 -6.918 317 HG2 GLN 41 HG3 GLN 41 10.445 -1.599 -9.220 318 HG3 GLN 41 HG2 GLN 41 11.514 -0.205 -9.384 319 HE21 GLN 41 HE22 GLN 41 13.067 -0.986 -10.869 320 HE22 GLN 41 HE21 GLN 41 13.999 -2.382 -10.616 321 H ASN 42 H ASN 42 10.039 1.475 -9.121 322 HA ASN 42 HA ASN 42 12.097 3.490 -8.508 323 HB2 ASN 42 HB3 ASN 42 10.131 3.229 -10.807 324 HB3 ASN 42 HB2 ASN 42 11.392 4.458 -10.700 325 HD21 ASN 42 HD22 ASN 42 13.593 3.045 -9.785 326 HD22 ASN 42 HD21 ASN 42 14.000 1.808 -10.875 327 H ASP 43 H ASP 43 8.644 3.099 -8.253 328 HA ASP 43 HA ASP 43 8.078 5.955 -7.972 329 HB2 ASP 43 HB3 ASP 43 6.465 4.079 -8.755 330 HB3 ASP 43 HB2 ASP 43 6.293 3.694 -7.047 331 H LYS 44 H LYS 44 9.454 6.639 -6.261 332 HA LYS 44 HA LYS 44 9.919 5.410 -3.829 333 HB2 LYS 44 HB3 LYS 44 9.824 8.287 -4.673 334 HB3 LYS 44 HB2 LYS 44 10.071 7.905 -2.971 335 HG2 LYS 44 HG3 LYS 44 12.226 8.161 -4.125 336 HG3 LYS 44 HG2 LYS 44 12.016 6.504 -3.563 337 HD2 LYS 44 HD3 LYS 44 11.438 5.737 -5.767 338 HD3 LYS 44 HD2 LYS 44 11.309 7.387 -6.376 339 HE2 LYS 44 HE3 LYS 44 13.857 6.097 -5.354 340 HE3 LYS 44 HE2 LYS 44 13.446 6.331 -7.053 341 HZ1 LYS 44 HZ1 LYS 44 14.321 8.343 -6.897 342 HZ2 LYS 44 HZ2 LYS 44 14.562 8.176 -5.227 343 HZ3 LYS 44 HZ3 LYS 44 13.086 8.777 -5.814 344 H GLU 45 H GLU 45 7.015 7.125 -4.814 345 HA GLU 45 HA GLU 45 5.943 7.497 -2.172 346 HB2 GLU 45 HB3 GLU 45 5.132 8.614 -4.310 347 HB3 GLU 45 HB2 GLU 45 4.342 7.092 -4.716 348 HG2 GLU 45 HG3 GLU 45 2.686 8.458 -3.637 349 HG3 GLU 45 HG2 GLU 45 3.159 7.227 -2.468 350 H VAL 46 H VAL 46 5.497 4.916 -4.580 351 HA VAL 46 HA VAL 46 3.707 3.364 -2.943 352 HB VAL 46 HB VAL 46 5.472 2.469 -5.220 353 HG11 VAL 46 HG11 VAL 46 3.007 1.266 -3.933 354 HG12 VAL 46 HG12 VAL 46 4.621 0.559 -4.002 355 HG13 VAL 46 HG13 VAL 46 3.668 0.721 -5.474 356 HG21 VAL 46 HG21 VAL 46 3.520 2.886 -6.643 357 HG22 VAL 46 HG22 VAL 46 3.974 4.369 -5.805 358 HG23 VAL 46 HG23 VAL 46 2.595 3.426 -5.242 359 H MET 47 H MET 47 7.238 3.181 -3.515 360 HA MET 47 HA MET 47 7.576 0.760 -2.035 361 HB2 MET 47 HB3 MET 47 9.879 1.074 -2.257 362 HB3 MET 47 HB2 MET 47 9.277 2.064 -3.581 363 HG2 MET 47 HG3 MET 47 9.369 4.045 -1.995 364 HG3 MET 47 HG2 MET 47 10.222 3.004 -0.859 365 HE1 MET 47 HE1 MET 47 11.619 5.398 -1.345 366 HE2 MET 47 HE2 MET 47 13.227 4.995 -1.962 367 HE3 MET 47 HE3 MET 47 12.514 4.044 -0.661 368 H ASP 48 H ASP 48 7.830 4.156 -0.994 369 HA ASP 48 HA ASP 48 8.459 3.603 1.730 370 HB2 ASP 48 HB3 ASP 48 7.043 5.885 0.333 371 HB3 ASP 48 HB2 ASP 48 7.294 5.896 2.079 372 H VAL 49 H VAL 49 5.410 3.682 -0.019 373 HA VAL 49 HA VAL 49 3.736 3.478 2.352 374 HB VAL 49 HB VAL 49 3.267 3.094 -0.614 375 HG11 VAL 49 HG11 VAL 49 0.804 3.288 0.056 376 HG12 VAL 49 HG12 VAL 49 1.326 2.914 1.698 377 HG13 VAL 49 HG13 VAL 49 1.585 1.746 0.402 378 HG21 VAL 49 HG21 VAL 49 2.185 5.284 1.165 379 HG22 VAL 49 HG22 VAL 49 2.399 5.293 -0.585 380 HG23 VAL 49 HG23 VAL 49 3.802 5.400 0.478 381 H PHE 50 H PHE 50 4.500 1.199 -0.274 382 HA PHE 50 HA PHE 50 3.244 -1.026 0.984 383 HB2 PHE 50 HB3 PHE 50 4.766 -0.505 -1.453 384 HB3 PHE 50 HB2 PHE 50 5.211 -2.065 -0.763 385 HD1 PHE 50 HD2 PHE 50 2.319 0.041 -1.771 386 HD2 PHE 50 HD1 PHE 50 3.708 -3.929 -0.906 387 HE1 PHE 50 HE2 PHE 50 0.160 -0.879 -2.551 388 HE2 PHE 50 HE1 PHE 50 1.543 -4.851 -1.681 389 HZ PHE 50 HZ PHE 50 -0.230 -3.331 -2.514 390 H ASN 51 H ASN 51 6.385 0.411 1.353 391 HA ASN 51 HA ASN 51 7.523 -1.919 2.739 392 HB2 ASN 51 HB3 ASN 51 8.458 0.962 2.529 393 HB3 ASN 51 HB2 ASN 51 9.359 -0.321 3.332 394 HD21 ASN 51 HD22 ASN 51 7.492 -1.175 0.495 395 HD22 ASN 51 HD21 ASN 51 8.811 -1.355 -0.558 396 H LYS 52 H LYS 52 5.679 0.946 3.511 397 HA LYS 52 HA LYS 52 6.221 0.774 6.396 398 HB2 LYS 52 HB3 LYS 52 5.695 2.952 5.427 399 HB3 LYS 52 HB2 LYS 52 4.167 2.337 4.796 400 HG2 LYS 52 HG3 LYS 52 3.200 2.171 6.942 401 HG3 LYS 52 HG2 LYS 52 4.765 2.186 7.748 402 HD2 LYS 52 HD3 LYS 52 3.432 4.336 7.955 403 HD3 LYS 52 HD2 LYS 52 5.070 4.526 7.332 404 HE2 LYS 52 HE3 LYS 52 3.178 5.783 6.092 405 HE3 LYS 52 HE2 LYS 52 4.306 4.854 5.106 406 HZ1 LYS 52 HZ1 LYS 52 2.065 3.327 6.063 407 HZ2 LYS 52 HZ2 LYS 52 2.718 3.434 4.501 408 HZ3 LYS 52 HZ3 LYS 52 1.622 4.613 5.045 409 H ILE 53 H ILE 53 3.776 -0.159 4.096 410 HA ILE 53 HA ILE 53 1.807 -1.101 5.938 411 HB ILE 53 HB ILE 53 2.331 -1.136 3.052 412 HG12 ILE 53 HG13 ILE 53 -0.091 -0.874 2.926 413 HG13 ILE 53 HG12 ILE 53 -0.233 -1.271 4.636 414 HG21 ILE 53 HG21 ILE 53 0.808 -3.059 2.558 415 HG22 ILE 53 HG22 ILE 53 0.933 -3.536 4.249 416 HG23 ILE 53 HG23 ILE 53 2.368 -3.542 3.219 417 HD11 ILE 53 HD11 ILE 53 -0.094 1.261 3.724 418 HD12 ILE 53 HD12 ILE 53 1.623 0.954 3.959 419 HD13 ILE 53 HD13 ILE 53 0.504 0.785 5.309 420 H SER 54 H SER 54 4.643 -2.566 4.486 421 HA SER 54 HA SER 54 3.985 -5.238 5.498 422 HB2 SER 54 HB3 SER 54 5.284 -4.754 3.384 423 HB3 SER 54 HB2 SER 54 6.631 -4.258 4.404 424 HG SER 54 HG SER 54 6.658 -6.327 5.290 425 H GLN 55 H GLN 55 6.010 -2.554 6.555 426 HA GLN 55 HA GLN 55 7.387 -4.190 8.575 427 HB2 GLN 55 HB3 GLN 55 7.376 -1.215 8.008 428 HB3 GLN 55 HB2 GLN 55 8.360 -1.968 9.263 429 HG2 GLN 55 HG3 GLN 55 8.462 -2.825 6.356 430 HG3 GLN 55 HG2 GLN 55 9.538 -1.605 7.035 431 HE21 GLN 55 HE22 GLN 55 10.721 -3.929 6.046 432 HE22 GLN 55 HE21 GLN 55 11.275 -4.892 7.329 433 H LEU 56 H LEU 56 4.852 -1.683 8.624 434 HA LEU 56 HA LEU 56 4.659 -1.836 11.561 435 HB2 LEU 56 HB3 LEU 56 3.202 -0.306 9.410 436 HB3 LEU 56 HB2 LEU 56 2.566 -0.345 11.054 437 HG LEU 56 HG LEU 56 4.697 0.533 11.913 438 HD11 LEU 56 HD11 LEU 56 6.334 -0.311 10.423 439 HD12 LEU 56 HD12 LEU 56 6.329 1.423 10.113 440 HD13 LEU 56 HD13 LEU 56 5.505 0.326 9.004 441 HD21 LEU 56 HD21 LEU 56 3.385 2.075 9.656 442 HD22 LEU 56 HD22 LEU 56 4.596 2.796 10.717 443 HD23 LEU 56 HD23 LEU 56 3.073 2.210 11.384 444 H PHE 57 H PHE 57 3.750 -3.949 9.266 445 HA PHE 57 HA PHE 57 1.362 -4.871 10.834 446 HB2 PHE 57 HB3 PHE 57 1.705 -5.043 7.829 447 HB3 PHE 57 HB2 PHE 57 0.326 -5.610 8.750 448 HD1 PHE 57 HD2 PHE 57 2.323 -2.413 8.263 449 HD2 PHE 57 HD1 PHE 57 -1.542 -4.205 8.891 450 HE1 PHE 57 HE2 PHE 57 1.256 -0.189 8.097 451 HE2 PHE 57 HE1 PHE 57 -2.592 -1.968 8.720 452 HZ PHE 57 HZ PHE 57 -1.197 0.034 8.326 453 HA PRO 58 HA PRO 58 4.995 -7.940 10.669 454 HB2 PRO 58 HB2 PRO 58 3.353 -8.638 13.101 455 HB3 PRO 58 HB3 PRO 58 5.115 -8.723 12.878 456 HG2 PRO 58 HG3 PRO 58 4.035 -6.699 14.202 457 HG3 PRO 58 HG2 PRO 58 5.381 -6.425 13.079 458 HD2 PRO 58 HD3 PRO 58 2.487 -5.745 12.735 459 HD3 PRO 58 HD2 PRO 58 3.923 -4.948 12.055 460 H GLY 59 H GLY 59 4.313 -9.198 8.910 461 HA2 GLY 59 HA3 GLY 59 3.260 -10.986 7.817 462 HA3 GLY 59 HA2 GLY 59 2.855 -11.597 9.422 463 H MET 60 H MET 60 1.880 -8.557 7.839 464 HA MET 60 HA MET 60 -0.260 -7.628 7.583 465 HB2 MET 60 HB3 MET 60 -0.809 -10.530 6.885 466 HB3 MET 60 HB2 MET 60 -1.945 -9.213 6.598 467 HG2 MET 60 HG3 MET 60 -0.754 -9.548 4.541 468 HG3 MET 60 HG2 MET 60 -0.111 -8.070 5.253 469 HE1 MET 60 HE1 MET 60 2.779 -10.079 3.376 470 HE2 MET 60 HE2 MET 60 1.915 -8.536 3.431 471 HE3 MET 60 HE3 MET 60 1.055 -10.017 3.016 472 H THR 61 H THR 61 -2.802 -8.543 8.147 473 HA THR 61 HA THR 61 -2.877 -8.338 11.025 474 HB THR 61 HB THR 61 -5.321 -8.700 10.741 475 HG1 THR 61 HG1 THR 61 -4.874 -8.840 7.976 476 HG21 THR 61 HG21 THR 61 -3.995 -6.834 8.756 477 HG22 THR 61 HG22 THR 61 -4.469 -6.454 10.413 478 HG23 THR 61 HG23 THR 61 -5.703 -6.765 9.192 479 H GLY 62 H GLY 62 -3.960 -11.000 8.876 480 HA2 GLY 62 HA3 GLY 62 -4.272 -12.900 10.983 481 HA3 GLY 62 HA2 GLY 62 -4.064 -13.310 9.279 Start of MODEL 12 1 H2 PRO 1 H2 PRO 1 -14.434 -2.317 -0.275 2 H3 PRO 1 H3 PRO 1 -14.373 -3.798 -1.115 3 HA PRO 1 HA PRO 1 -13.131 -4.568 0.553 4 HB2 PRO 1 HB2 PRO 1 -10.693 -3.309 0.410 5 HB3 PRO 1 HB3 PRO 1 -11.236 -4.483 -0.806 6 HG2 PRO 1 HG3 PRO 1 -11.202 -1.504 -0.945 7 HG3 PRO 1 HG2 PRO 1 -10.914 -2.697 -2.228 8 HD2 PRO 1 HD3 PRO 1 -13.309 -1.340 -1.894 9 HD3 PRO 1 HD2 PRO 1 -13.159 -2.898 -2.718 10 H GLU 2 H GLU 2 -14.834 -2.263 1.279 11 HA GLU 2 HA GLU 2 -13.538 -0.371 2.922 12 HB2 GLU 2 HB3 GLU 2 -16.213 -1.666 3.505 13 HB3 GLU 2 HB2 GLU 2 -15.663 -0.077 4.041 14 HG2 GLU 2 HG3 GLU 2 -15.502 0.642 1.665 15 HG3 GLU 2 HG2 GLU 2 -16.136 -0.927 1.168 16 H GLU 3 H GLU 3 -14.294 -3.745 3.515 17 HA GLU 3 HA GLU 3 -14.001 -3.794 6.332 18 HB2 GLU 3 HB3 GLU 3 -13.565 -6.158 6.098 19 HB3 GLU 3 HB2 GLU 3 -14.778 -5.699 4.905 20 HG2 GLU 3 HG3 GLU 3 -12.795 -5.414 3.266 21 HG3 GLU 3 HG2 GLU 3 -11.850 -6.307 4.459 22 H VAL 4 H VAL 4 -11.526 -4.161 3.781 23 HA VAL 4 HA VAL 4 -9.339 -4.422 5.640 24 HB VAL 4 HB VAL 4 -9.309 -3.412 2.778 25 HG11 VAL 4 HG11 VAL 4 -6.926 -4.252 2.891 26 HG12 VAL 4 HG12 VAL 4 -7.138 -4.439 4.631 27 HG13 VAL 4 HG13 VAL 4 -7.243 -2.839 3.896 28 HG21 VAL 4 HG21 VAL 4 -9.069 -6.185 3.983 29 HG22 VAL 4 HG22 VAL 4 -8.600 -5.806 2.325 30 HG23 VAL 4 HG23 VAL 4 -10.277 -5.616 2.830 31 H ILE 5 H ILE 5 -10.789 -1.683 3.912 32 HA ILE 5 HA ILE 5 -8.984 0.340 4.650 33 HB ILE 5 HB ILE 5 -12.000 0.547 4.479 34 HG12 ILE 5 HG13 ILE 5 -9.838 1.134 2.424 35 HG13 ILE 5 HG12 ILE 5 -10.828 -0.321 2.434 36 HG21 ILE 5 HG21 ILE 5 -11.432 2.979 3.982 37 HG22 ILE 5 HG22 ILE 5 -9.792 2.628 4.524 38 HG23 ILE 5 HG23 ILE 5 -11.145 2.478 5.645 39 HD11 ILE 5 HD11 ILE 5 -12.665 1.832 2.577 40 HD12 ILE 5 HD12 ILE 5 -12.342 0.791 1.189 41 HD13 ILE 5 HD13 ILE 5 -11.460 2.303 1.380 42 H SER 6 H SER 6 -11.274 -1.415 6.570 43 HA SER 6 HA SER 6 -11.385 0.436 8.785 44 HB2 SER 6 HB3 SER 6 -11.711 -2.573 8.934 45 HB3 SER 6 HB2 SER 6 -12.387 -1.365 10.022 46 HG SER 6 HG SER 6 -13.182 -0.658 7.657 47 H LYS 7 H LYS 7 -9.247 -2.264 7.928 48 HA LYS 7 HA LYS 7 -7.816 -2.167 10.461 49 HB2 LYS 7 HB3 LYS 7 -6.612 -3.990 9.687 50 HB3 LYS 7 HB2 LYS 7 -8.053 -4.119 8.693 51 HG2 LYS 7 HG3 LYS 7 -6.464 -4.320 7.020 52 HG3 LYS 7 HG2 LYS 7 -6.606 -2.572 7.029 53 HD2 LYS 7 HD3 LYS 7 -4.301 -2.721 7.218 54 HD3 LYS 7 HD2 LYS 7 -4.696 -2.817 8.930 55 HE2 LYS 7 HE3 LYS 7 -4.062 -5.099 7.044 56 HE3 LYS 7 HE2 LYS 7 -3.179 -4.618 8.492 57 HZ1 LYS 7 HZ1 LYS 7 -5.993 -5.546 8.541 58 HZ2 LYS 7 HZ2 LYS 7 -4.950 -5.331 9.861 59 HZ3 LYS 7 HZ3 LYS 7 -4.668 -6.588 8.753 60 H ILE 8 H ILE 8 -7.408 -0.579 7.350 61 HA ILE 8 HA ILE 8 -4.716 0.284 7.634 62 HB ILE 8 HB ILE 8 -6.921 1.955 6.394 63 HG12 ILE 8 HG13 ILE 8 -7.042 -0.442 5.604 64 HG13 ILE 8 HG12 ILE 8 -6.718 0.728 4.338 65 HG21 ILE 8 HG21 ILE 8 -4.792 3.074 6.498 66 HG22 ILE 8 HG22 ILE 8 -5.070 2.581 4.829 67 HG23 ILE 8 HG23 ILE 8 -3.957 1.665 5.844 68 HD11 ILE 8 HD11 ILE 8 -4.589 -0.922 5.715 69 HD12 ILE 8 HD12 ILE 8 -4.367 0.140 4.329 70 HD13 ILE 8 HD13 ILE 8 -5.325 -1.329 4.172 71 H MET 9 H MET 9 -7.637 1.369 9.203 72 HA MET 9 HA MET 9 -6.856 3.974 9.991 73 HB2 MET 9 HB3 MET 9 -8.572 3.848 11.629 74 HB3 MET 9 HB2 MET 9 -9.115 2.768 10.348 75 HG2 MET 9 HG3 MET 9 -7.915 0.895 11.702 76 HG3 MET 9 HG2 MET 9 -7.938 2.048 13.035 77 HE1 MET 9 HE1 MET 9 -10.771 -0.111 14.264 78 HE2 MET 9 HE2 MET 9 -9.173 0.606 14.518 79 HE3 MET 9 HE3 MET 9 -9.373 -0.734 13.392 80 H GLU 10 H GLU 10 -5.343 1.075 10.672 81 HA GLU 10 HA GLU 10 -4.474 1.491 13.376 82 HB2 GLU 10 HB3 GLU 10 -2.788 -0.213 12.853 83 HB3 GLU 10 HB2 GLU 10 -4.355 -0.689 12.198 84 HG2 GLU 10 HG3 GLU 10 -3.619 0.369 9.993 85 HG3 GLU 10 HG2 GLU 10 -2.003 0.487 10.688 86 H ASN 11 H ASN 11 -3.729 3.133 10.505 87 HA ASN 11 HA ASN 11 -1.601 4.656 11.848 88 HB2 ASN 11 HB3 ASN 11 -1.087 2.972 9.381 89 HB3 ASN 11 HB2 ASN 11 -0.028 4.286 9.893 90 HD21 ASN 11 HD22 ASN 11 0.112 3.983 12.639 91 HD22 ASN 11 HD21 ASN 11 0.738 2.457 13.040 92 HA PRO 12 HA PRO 12 -4.530 7.217 9.282 93 HB2 PRO 12 HB2 PRO 12 -2.892 9.225 10.827 94 HB3 PRO 12 HB3 PRO 12 -4.631 9.248 10.454 95 HG2 PRO 12 HG3 PRO 12 -3.817 8.527 12.860 96 HG3 PRO 12 HG2 PRO 12 -5.125 7.632 12.059 97 HD2 PRO 12 HD3 PRO 12 -2.261 6.821 12.456 98 HD3 PRO 12 HD2 PRO 12 -3.725 5.808 12.440 99 H ASP 13 H ASP 13 -1.134 6.893 9.428 100 HA ASP 13 HA ASP 13 -0.395 8.895 7.471 101 HB2 ASP 13 HB3 ASP 13 1.201 7.830 9.095 102 HB3 ASP 13 HB2 ASP 13 1.054 6.325 8.186 103 H VAL 14 H VAL 14 -1.177 5.428 7.336 104 HA VAL 14 HA VAL 14 -0.757 5.248 4.447 105 HB VAL 14 HB VAL 14 -2.267 3.413 6.340 106 HG11 VAL 14 HG11 VAL 14 -1.179 3.031 3.537 107 HG12 VAL 14 HG12 VAL 14 -2.867 2.983 4.039 108 HG13 VAL 14 HG13 VAL 14 -1.761 1.715 4.558 109 HG21 VAL 14 HG21 VAL 14 -0.210 2.136 6.492 110 HG22 VAL 14 HG22 VAL 14 0.154 3.805 6.925 111 HG23 VAL 14 HG23 VAL 14 0.586 3.196 5.328 112 H ALA 15 H ALA 15 -3.480 5.705 6.634 113 HA ALA 15 HA ALA 15 -5.569 5.527 4.706 114 HB1 ALA 15 HB1 ALA 15 -6.909 6.701 6.331 115 HB2 ALA 15 HB2 ALA 15 -5.475 7.376 7.104 116 HB3 ALA 15 HB3 ALA 15 -5.811 5.649 7.224 117 H MET 16 H MET 16 -3.397 8.140 5.647 118 HA MET 16 HA MET 16 -4.706 10.158 3.996 119 HB2 MET 16 HB3 MET 16 -2.044 9.992 5.428 120 HB3 MET 16 HB2 MET 16 -2.468 11.373 4.416 121 HG2 MET 16 HG3 MET 16 -4.238 10.406 6.677 122 HG3 MET 16 HG2 MET 16 -2.992 11.634 6.898 123 HE1 MET 16 HE1 MET 16 -5.354 12.594 7.867 124 HE2 MET 16 HE2 MET 16 -6.490 11.560 6.989 125 HE3 MET 16 HE3 MET 16 -6.603 13.313 6.852 126 H ALA 17 H ALA 17 -2.080 7.844 3.657 127 HA ALA 17 HA ALA 17 -1.128 8.888 1.115 128 HB1 ALA 17 HB1 ALA 17 0.220 6.887 1.033 129 HB2 ALA 17 HB2 ALA 17 -0.809 6.079 2.215 130 HB3 ALA 17 HB3 ALA 17 0.206 7.434 2.710 131 H PHE 18 H PHE 18 -3.493 6.552 2.204 132 HA PHE 18 HA PHE 18 -4.049 5.170 -0.198 133 HB2 PHE 18 HB3 PHE 18 -5.462 5.799 2.326 134 HB3 PHE 18 HB2 PHE 18 -6.548 5.507 0.976 135 HD1 PHE 18 HD1 PHE 18 -3.196 3.982 1.673 136 HD2 PHE 18 HD2 PHE 18 -7.441 3.348 1.413 137 HE1 PHE 18 HE1 PHE 18 -2.854 1.544 1.957 138 HE2 PHE 18 HE2 PHE 18 -7.093 0.912 1.697 139 HZ PHE 18 HZ PHE 18 -4.800 0.009 1.964 140 H GLN 19 H GLN 19 -4.550 8.505 0.563 141 HA GLN 19 HA GLN 19 -6.694 8.939 -1.373 142 HB2 GLN 19 HB3 GLN 19 -6.650 11.177 -0.685 143 HB3 GLN 19 HB2 GLN 19 -6.021 10.359 0.743 144 HG2 GLN 19 HG3 GLN 19 -3.671 10.766 -0.336 145 HG3 GLN 19 HG2 GLN 19 -4.507 11.949 -1.337 146 HE21 GLN 19 HE22 GLN 19 -6.401 12.297 1.171 147 HE22 GLN 19 HE21 GLN 19 -5.526 13.380 2.142 148 H ASN 20 H ASN 20 -3.775 7.872 -2.005 149 HA ASN 20 HA ASN 20 -3.190 9.736 -4.267 150 HB2 ASN 20 HB3 ASN 20 -1.519 7.712 -2.759 151 HB3 ASN 20 HB2 ASN 20 -0.994 8.373 -4.307 152 HD21 ASN 20 HD22 ASN 20 0.012 8.790 -1.406 153 HD22 ASN 20 HD21 ASN 20 0.074 10.479 -1.242 154 HA PRO 21 HA PRO 21 -4.882 6.508 -6.826 155 HB2 PRO 21 HB2 PRO 21 -3.861 7.199 -9.277 156 HB3 PRO 21 HB3 PRO 21 -5.157 8.119 -8.484 157 HG2 PRO 21 HG3 PRO 21 -2.218 8.690 -8.566 158 HG3 PRO 21 HG2 PRO 21 -3.584 9.802 -8.786 159 HD2 PRO 21 HD3 PRO 21 -2.239 9.613 -6.417 160 HD3 PRO 21 HD2 PRO 21 -3.978 9.989 -6.490 161 H ARG 22 H ARG 22 -1.416 7.203 -7.373 162 HA ARG 22 HA ARG 22 -0.729 4.688 -8.501 163 HB2 ARG 22 HB3 ARG 22 1.073 6.310 -6.679 164 HB3 ARG 22 HB2 ARG 22 1.549 5.256 -8.013 165 HG2 ARG 22 HG3 ARG 22 0.277 6.798 -9.567 166 HG3 ARG 22 HG2 ARG 22 0.073 7.897 -8.204 167 HD2 ARG 22 HD3 ARG 22 2.618 7.841 -7.949 168 HD3 ARG 22 HD2 ARG 22 2.659 7.038 -9.519 169 HE ARG 22 HE ARG 22 2.188 9.116 -10.521 170 HH11 ARG 22 HH22 ARG 22 1.359 9.100 -7.170 171 HH12 ARG 22 HH21 ARG 22 0.961 10.785 -7.126 172 HH21 ARG 22 HH11 ARG 22 1.672 11.314 -10.477 173 HH22 ARG 22 HH12 ARG 22 1.138 12.037 -8.997 174 H VAL 23 H VAL 23 -1.288 5.678 -5.190 175 HA VAL 23 HA VAL 23 -0.160 3.284 -3.976 176 HB VAL 23 HB VAL 23 -2.085 5.394 -2.944 177 HG11 VAL 23 HG11 VAL 23 -2.523 3.440 -1.628 178 HG12 VAL 23 HG12 VAL 23 -1.411 4.418 -0.672 179 HG13 VAL 23 HG13 VAL 23 -0.813 3.016 -1.560 180 HG21 VAL 23 HG21 VAL 23 0.865 4.868 -2.461 181 HG22 VAL 23 HG22 VAL 23 -0.082 6.129 -1.669 182 HG23 VAL 23 HG23 VAL 23 0.194 6.192 -3.411 183 H GLN 24 H GLN 24 -3.505 4.421 -4.567 184 HA GLN 24 HA GLN 24 -4.783 2.000 -3.765 185 HB2 GLN 24 HB3 GLN 24 -5.940 4.200 -4.175 186 HB3 GLN 24 HB2 GLN 24 -5.727 3.934 -5.906 187 HG2 GLN 24 HG3 GLN 24 -7.027 1.865 -5.780 188 HG3 GLN 24 HG2 GLN 24 -7.187 2.048 -4.033 189 HE21 GLN 24 HE22 GLN 24 -9.554 2.215 -4.223 190 HE22 GLN 24 HE21 GLN 24 -10.280 3.625 -4.828 191 H ALA 25 H ALA 25 -3.313 3.030 -6.794 192 HA ALA 25 HA ALA 25 -4.257 0.778 -8.358 193 HB1 ALA 25 HB1 ALA 25 -3.471 2.904 -9.382 194 HB2 ALA 25 HB2 ALA 25 -2.580 1.513 -9.999 195 HB3 ALA 25 HB3 ALA 25 -1.843 2.567 -8.792 196 H ALA 26 H ALA 26 -1.481 1.400 -6.296 197 HA ALA 26 HA ALA 26 0.047 -0.908 -7.111 198 HB1 ALA 26 HB1 ALA 26 0.054 0.649 -4.506 199 HB2 ALA 26 HB2 ALA 26 1.091 0.953 -5.899 200 HB3 ALA 26 HB3 ALA 26 1.270 -0.539 -4.976 201 H LEU 27 H LEU 27 -2.285 -0.295 -4.491 202 HA LEU 27 HA LEU 27 -2.144 -2.990 -3.427 203 HB2 LEU 27 HB3 LEU 27 -4.332 -0.910 -3.147 204 HB3 LEU 27 HB2 LEU 27 -4.142 -2.342 -2.140 205 HG LEU 27 HG LEU 27 -1.938 -0.274 -2.398 206 HD11 LEU 27 HD11 LEU 27 -2.776 0.713 -0.292 207 HD12 LEU 27 HD12 LEU 27 -4.180 -0.352 -0.358 208 HD13 LEU 27 HD13 LEU 27 -3.951 0.883 -1.596 209 HD21 LEU 27 HD21 LEU 27 -1.181 -2.351 -1.429 210 HD22 LEU 27 HD22 LEU 27 -2.602 -2.457 -0.392 211 HD23 LEU 27 HD23 LEU 27 -1.384 -1.220 -0.098 212 H MET 28 H MET 28 -4.517 -1.279 -5.489 213 HA MET 28 HA MET 28 -6.251 -3.494 -5.897 214 HB2 MET 28 HB3 MET 28 -5.565 -1.091 -7.611 215 HB3 MET 28 HB2 MET 28 -6.743 -2.292 -8.139 216 HG2 MET 28 HG3 MET 28 -8.031 -1.912 -6.043 217 HG3 MET 28 HG2 MET 28 -6.881 -0.656 -5.587 218 HE1 MET 28 HE1 MET 28 -10.333 0.992 -6.689 219 HE2 MET 28 HE2 MET 28 -9.380 0.380 -5.330 220 HE3 MET 28 HE3 MET 28 -10.268 -0.738 -6.362 221 H GLU 29 H GLU 29 -3.273 -2.505 -7.550 222 HA GLU 29 HA GLU 29 -3.396 -4.658 -9.504 223 HB2 GLU 29 HB3 GLU 29 -2.109 -2.550 -9.877 224 HB3 GLU 29 HB2 GLU 29 -1.001 -3.031 -8.591 225 HG2 GLU 29 HG3 GLU 29 -0.305 -4.989 -9.821 226 HG3 GLU 29 HG2 GLU 29 -1.557 -4.735 -11.038 227 H CYS 30 H CYS 30 -2.208 -4.288 -6.226 228 HA CYS 30 HA CYS 30 -0.366 -6.459 -6.152 229 HB2 CYS 30 HB3 CYS 30 -0.808 -4.769 -4.306 230 HB3 CYS 30 HB2 CYS 30 -2.244 -5.706 -3.897 231 HG CYS 30 HG CYS 30 -0.410 -7.791 -3.710 232 H SER 31 H SER 31 -3.894 -6.416 -5.955 233 HA SER 31 HA SER 31 -4.409 -8.998 -5.072 234 HB2 SER 31 HB3 SER 31 -6.155 -7.300 -5.572 235 HB3 SER 31 HB2 SER 31 -5.872 -7.550 -7.293 236 HG SER 31 HG SER 31 -7.581 -8.826 -5.967 237 H GLU 32 H GLU 32 -3.124 -7.954 -8.150 238 HA GLU 32 HA GLU 32 -3.638 -10.405 -9.592 239 HB2 GLU 32 HB3 GLU 32 -1.565 -8.229 -10.007 240 HB3 GLU 32 HB2 GLU 32 -1.868 -9.541 -11.146 241 HG2 GLU 32 HG3 GLU 32 -4.230 -8.812 -11.340 242 HG3 GLU 32 HG2 GLU 32 -3.896 -7.476 -10.238 243 H ASN 33 H ASN 33 -0.631 -9.109 -8.139 244 HA ASN 33 HA ASN 33 0.178 -11.473 -6.854 245 HB2 ASN 33 HB3 ASN 33 2.060 -12.044 -8.666 246 HB3 ASN 33 HB2 ASN 33 0.452 -12.745 -8.810 247 HD21 ASN 33 HD22 ASN 33 0.998 -9.306 -9.441 248 HD22 ASN 33 HD21 ASN 33 0.759 -9.395 -11.119 249 HA PRO 34 HA PRO 34 3.316 -8.766 -5.228 250 HB2 PRO 34 HB2 PRO 34 5.319 -10.870 -6.039 251 HB3 PRO 34 HB3 PRO 34 5.168 -10.001 -4.496 252 HG2 PRO 34 HG3 PRO 34 4.293 -12.492 -4.722 253 HG3 PRO 34 HG2 PRO 34 3.373 -11.291 -3.795 254 HD2 PRO 34 HD3 PRO 34 2.763 -12.451 -6.486 255 HD3 PRO 34 HD2 PRO 34 1.654 -11.862 -5.230 256 H MET 35 H MET 35 3.344 -9.789 -8.490 257 HA MET 35 HA MET 35 5.720 -8.525 -9.453 258 HB2 MET 35 HB3 MET 35 3.070 -8.878 -10.893 259 HB3 MET 35 HB2 MET 35 4.637 -8.593 -11.650 260 HG2 MET 35 HG3 MET 35 4.020 -10.990 -9.899 261 HG3 MET 35 HG2 MET 35 3.937 -11.008 -11.659 262 HE1 MET 35 HE1 MET 35 7.150 -13.020 -10.628 263 HE2 MET 35 HE2 MET 35 5.446 -13.101 -11.095 264 HE3 MET 35 HE3 MET 35 5.891 -12.717 -9.434 265 H ASN 36 H ASN 36 2.992 -7.230 -8.000 266 HA ASN 36 HA ASN 36 2.574 -4.838 -9.473 267 HB2 ASN 36 HB3 ASN 36 1.776 -3.929 -7.206 268 HB3 ASN 36 HB2 ASN 36 0.967 -5.380 -7.792 269 HD21 ASN 36 HD22 ASN 36 0.874 -4.946 -5.059 270 HD22 ASN 36 HD21 ASN 36 1.907 -6.023 -4.250 271 H ILE 37 H ILE 37 4.447 -5.257 -6.466 272 HA ILE 37 HA ILE 37 5.626 -2.675 -6.581 273 HB ILE 37 HB ILE 37 5.454 -4.312 -4.590 274 HG12 ILE 37 HG13 ILE 37 7.564 -3.419 -3.565 275 HG13 ILE 37 HG12 ILE 37 8.045 -2.832 -5.153 276 HG21 ILE 37 HG21 ILE 37 6.636 -6.164 -5.890 277 HG22 ILE 37 HG22 ILE 37 7.212 -5.887 -4.247 278 HG23 ILE 37 HG23 ILE 37 8.135 -5.274 -5.618 279 HD11 ILE 37 HD11 ILE 37 5.322 -2.008 -4.260 280 HD12 ILE 37 HD12 ILE 37 6.568 -1.084 -5.101 281 HD13 ILE 37 HD13 ILE 37 6.672 -1.322 -3.360 282 H MET 38 H MET 38 6.409 -5.618 -8.230 283 HA MET 38 HA MET 38 9.168 -5.032 -8.797 284 HB2 MET 38 HB3 MET 38 7.125 -6.714 -10.275 285 HB3 MET 38 HB2 MET 38 8.838 -6.664 -10.687 286 HG2 MET 38 HG3 MET 38 9.355 -7.359 -8.321 287 HG3 MET 38 HG2 MET 38 7.624 -7.570 -8.062 288 HE1 MET 38 HE1 MET 38 10.530 -10.166 -10.425 289 HE2 MET 38 HE2 MET 38 10.845 -9.098 -9.051 290 HE3 MET 38 HE3 MET 38 10.471 -8.417 -10.632 291 H LYS 39 H LYS 39 6.987 -2.898 -9.325 292 HA LYS 39 HA LYS 39 8.123 -1.998 -11.917 293 HB2 LYS 39 HB3 LYS 39 5.136 -1.829 -11.447 294 HB3 LYS 39 HB2 LYS 39 6.023 -1.633 -12.959 295 HG2 LYS 39 HG3 LYS 39 6.676 -4.052 -12.818 296 HG3 LYS 39 HG2 LYS 39 5.631 -4.205 -11.405 297 HD2 LYS 39 HD3 LYS 39 3.742 -3.282 -12.870 298 HD3 LYS 39 HD2 LYS 39 4.821 -3.528 -14.244 299 HE2 LYS 39 HE3 LYS 39 5.061 -5.943 -13.469 300 HE3 LYS 39 HE2 LYS 39 3.737 -5.623 -12.348 301 HZ1 LYS 39 HZ1 LYS 39 3.576 -5.169 -15.276 302 HZ2 LYS 39 HZ2 LYS 39 2.305 -5.087 -14.155 303 HZ3 LYS 39 HZ3 LYS 39 3.032 -6.582 -14.505 304 H TYR 40 H TYR 40 6.108 -1.275 -9.076 305 HA TYR 40 HA TYR 40 6.320 1.607 -9.463 306 HB2 TYR 40 HB3 TYR 40 5.433 0.083 -6.997 307 HB3 TYR 40 HB2 TYR 40 5.083 1.759 -7.404 308 HD1 TYR 40 HD1 TYR 40 4.015 2.132 -9.788 309 HD2 TYR 40 HD2 TYR 40 3.769 -1.519 -7.538 310 HE1 TYR 40 HE1 TYR 40 2.014 1.472 -11.086 311 HE2 TYR 40 HE2 TYR 40 1.765 -2.179 -8.839 312 HH TYR 40 HH TYR 40 0.163 0.035 -11.001 313 H GLN 41 H GLN 41 8.599 -0.590 -8.577 314 HA GLN 41 HA GLN 41 9.757 0.404 -6.193 315 HB2 GLN 41 HB3 GLN 41 10.798 -0.995 -8.633 316 HB3 GLN 41 HB2 GLN 41 11.992 -0.253 -7.570 317 HG2 GLN 41 HG3 GLN 41 9.838 -2.129 -6.562 318 HG3 GLN 41 HG2 GLN 41 11.435 -2.684 -7.057 319 HE21 GLN 41 HE22 GLN 41 13.083 -0.644 -6.037 320 HE22 GLN 41 HE21 GLN 41 12.954 -0.604 -4.345 321 H ASN 42 H ASN 42 9.594 1.775 -9.383 322 HA ASN 42 HA ASN 42 11.662 3.802 -8.873 323 HB2 ASN 42 HB3 ASN 42 11.210 2.944 -11.170 324 HB3 ASN 42 HB2 ASN 42 9.590 3.638 -11.086 325 HD21 ASN 42 HD22 ASN 42 12.878 4.333 -11.847 326 HD22 ASN 42 HD21 ASN 42 12.715 6.015 -12.016 327 H ASP 43 H ASP 43 8.165 3.470 -8.666 328 HA ASP 43 HA ASP 43 7.615 6.294 -8.365 329 HB2 ASP 43 HB3 ASP 43 5.929 4.522 -9.006 330 HB3 ASP 43 HB2 ASP 43 5.981 3.957 -7.339 331 H LYS 44 H LYS 44 9.104 7.051 -6.776 332 HA LYS 44 HA LYS 44 9.749 5.948 -4.329 333 HB2 LYS 44 HB3 LYS 44 10.765 8.009 -5.244 334 HB3 LYS 44 HB2 LYS 44 9.278 8.884 -4.875 335 HG2 LYS 44 HG3 LYS 44 9.559 8.551 -2.514 336 HG3 LYS 44 HG2 LYS 44 10.862 7.391 -2.767 337 HD2 LYS 44 HD3 LYS 44 11.744 9.599 -2.088 338 HD3 LYS 44 HD2 LYS 44 12.283 9.161 -3.708 339 HE2 LYS 44 HE3 LYS 44 9.776 10.804 -3.356 340 HE3 LYS 44 HE2 LYS 44 11.359 11.579 -3.299 341 HZ1 LYS 44 HZ1 LYS 44 9.913 10.703 -5.549 342 HZ2 LYS 44 HZ2 LYS 44 11.375 9.846 -5.469 343 HZ3 LYS 44 HZ3 LYS 44 11.388 11.545 -5.493 344 H GLU 45 H GLU 45 6.718 7.405 -5.245 345 HA GLU 45 HA GLU 45 5.769 7.903 -2.559 346 HB2 GLU 45 HB3 GLU 45 4.802 8.893 -4.692 347 HB3 GLU 45 HB2 GLU 45 4.086 7.316 -5.016 348 HG2 GLU 45 HG3 GLU 45 2.401 8.633 -3.915 349 HG3 GLU 45 HG2 GLU 45 2.979 7.460 -2.733 350 H VAL 46 H VAL 46 5.146 5.259 -4.887 351 HA VAL 46 HA VAL 46 3.627 3.677 -3.039 352 HB VAL 46 HB VAL 46 5.202 2.799 -5.459 353 HG11 VAL 46 HG11 VAL 46 3.454 0.961 -5.490 354 HG12 VAL 46 HG12 VAL 46 2.970 1.496 -3.881 355 HG13 VAL 46 HG13 VAL 46 4.597 0.870 -4.151 356 HG21 VAL 46 HG21 VAL 46 2.269 3.535 -5.248 357 HG22 VAL 46 HG22 VAL 46 3.151 3.118 -6.716 358 HG23 VAL 46 HG23 VAL 46 3.509 4.622 -5.870 359 H MET 47 H MET 47 7.116 3.835 -3.726 360 HA MET 47 HA MET 47 7.713 1.367 -2.372 361 HB2 MET 47 HB3 MET 47 9.959 1.840 -2.741 362 HB3 MET 47 HB2 MET 47 9.214 2.852 -3.970 363 HG2 MET 47 HG3 MET 47 10.767 4.299 -2.954 364 HG3 MET 47 HG2 MET 47 9.267 4.713 -2.137 365 HE1 MET 47 HE1 MET 47 10.913 5.878 -0.439 366 HE2 MET 47 HE2 MET 47 12.361 5.206 -1.202 367 HE3 MET 47 HE3 MET 47 12.117 5.038 0.535 368 H ASP 48 H ASP 48 7.557 4.725 -1.221 369 HA ASP 48 HA ASP 48 8.465 4.128 1.442 370 HB2 ASP 48 HB3 ASP 48 8.079 6.438 0.239 371 HB3 ASP 48 HB2 ASP 48 6.429 6.285 0.838 372 H VAL 49 H VAL 49 5.365 4.013 -0.173 373 HA VAL 49 HA VAL 49 3.818 3.549 2.243 374 HB VAL 49 HB VAL 49 3.187 3.187 -0.698 375 HG11 VAL 49 HG11 VAL 49 0.803 3.377 0.151 376 HG12 VAL 49 HG12 VAL 49 1.443 3.129 1.774 377 HG13 VAL 49 HG13 VAL 49 1.624 1.870 0.552 378 HG21 VAL 49 HG21 VAL 49 3.815 5.520 0.213 379 HG22 VAL 49 HG22 VAL 49 2.330 5.429 1.154 380 HG23 VAL 49 HG23 VAL 49 2.263 5.389 -0.606 381 H PHE 50 H PHE 50 4.662 1.474 -0.539 382 HA PHE 50 HA PHE 50 3.661 -0.916 0.648 383 HB2 PHE 50 HB3 PHE 50 5.226 -0.183 -1.742 384 HB3 PHE 50 HB2 PHE 50 5.646 -1.771 -1.112 385 HD1 PHE 50 HD1 PHE 50 2.556 0.299 -1.552 386 HD2 PHE 50 HD2 PHE 50 4.390 -3.559 -2.019 387 HE1 PHE 50 HE1 PHE 50 0.443 -0.588 -2.489 388 HE2 PHE 50 HE2 PHE 50 2.276 -4.443 -2.960 389 HZ PHE 50 HZ PHE 50 0.304 -2.961 -3.200 390 H ASN 51 H ASN 51 6.648 0.827 1.028 391 HA ASN 51 HA ASN 51 8.046 -1.405 2.325 392 HB2 ASN 51 HB3 ASN 51 9.329 0.372 1.178 393 HB3 ASN 51 HB2 ASN 51 8.678 1.567 2.302 394 HD21 ASN 51 HD22 ASN 51 10.767 -1.329 2.119 395 HD22 ASN 51 HD21 ASN 51 11.591 -1.024 3.571 396 H LYS 52 H LYS 52 5.901 1.197 3.215 397 HA LYS 52 HA LYS 52 6.497 1.005 6.086 398 HB2 LYS 52 HB3 LYS 52 5.700 3.135 5.219 399 HB3 LYS 52 HB2 LYS 52 4.269 2.368 4.537 400 HG2 LYS 52 HG3 LYS 52 3.372 1.880 6.700 401 HG3 LYS 52 HG2 LYS 52 4.889 2.278 7.501 402 HD2 LYS 52 HD3 LYS 52 3.414 4.367 5.877 403 HD3 LYS 52 HD2 LYS 52 2.945 4.039 7.542 404 HE2 LYS 52 HE3 LYS 52 5.379 4.438 8.189 405 HE3 LYS 52 HE2 LYS 52 5.630 5.035 6.549 406 HZ1 LYS 52 HZ1 LYS 52 3.330 6.244 7.531 407 HZ2 LYS 52 HZ2 LYS 52 4.824 6.972 7.192 408 HZ3 LYS 52 HZ3 LYS 52 4.506 6.370 8.749 409 H ILE 53 H ILE 53 3.895 0.115 3.900 410 HA ILE 53 HA ILE 53 2.123 -1.167 5.633 411 HB ILE 53 HB ILE 53 2.780 -1.181 2.758 412 HG12 ILE 53 HG13 ILE 53 0.350 -1.076 2.521 413 HG13 ILE 53 HG12 ILE 53 0.155 -1.452 4.230 414 HG21 ILE 53 HG21 ILE 53 1.517 -3.659 3.941 415 HG22 ILE 53 HG22 ILE 53 2.970 -3.567 2.945 416 HG23 ILE 53 HG23 ILE 53 1.397 -3.210 2.242 417 HD11 ILE 53 HD11 ILE 53 0.159 1.067 3.305 418 HD12 ILE 53 HD12 ILE 53 1.889 0.882 3.562 419 HD13 ILE 53 HD13 ILE 53 0.772 0.656 4.902 420 H SER 54 H SER 54 4.995 -2.521 4.023 421 HA SER 54 HA SER 54 4.612 -5.134 5.279 422 HB2 SER 54 HB3 SER 54 5.674 -5.135 3.136 423 HB3 SER 54 HB2 SER 54 6.839 -3.911 3.633 424 HG SER 54 HG SER 54 6.979 -5.940 5.341 425 H GLN 55 H GLN 55 6.634 -2.284 5.932 426 HA GLN 55 HA GLN 55 8.270 -3.598 7.921 427 HB2 GLN 55 HB3 GLN 55 7.648 -0.710 7.281 428 HB3 GLN 55 HB2 GLN 55 8.618 -1.127 8.693 429 HG2 GLN 55 HG3 GLN 55 9.274 -2.139 5.909 430 HG3 GLN 55 HG2 GLN 55 9.930 -0.634 6.554 431 HE21 GLN 55 HE22 GLN 55 10.683 -3.861 6.215 432 HE22 GLN 55 HE21 GLN 55 11.745 -4.038 7.527 433 H LEU 56 H LEU 56 5.174 -1.911 8.005 434 HA LEU 56 HA LEU 56 5.019 -2.176 10.959 435 HB2 LEU 56 HB3 LEU 56 3.356 -0.816 8.838 436 HB3 LEU 56 HB2 LEU 56 2.678 -1.103 10.439 437 HG LEU 56 HG LEU 56 4.469 0.167 11.486 438 HD11 LEU 56 HD11 LEU 56 6.369 -0.353 10.118 439 HD12 LEU 56 HD12 LEU 56 6.119 1.384 9.966 440 HD13 LEU 56 HD13 LEU 56 5.596 0.304 8.676 441 HD21 LEU 56 HD21 LEU 56 4.055 2.403 10.404 442 HD22 LEU 56 HD22 LEU 56 2.584 1.483 10.718 443 HD23 LEU 56 HD23 LEU 56 3.243 1.559 9.085 444 H PHE 57 H PHE 57 3.813 -3.691 8.033 445 HA PHE 57 HA PHE 57 2.263 -5.640 9.723 446 HB2 PHE 57 HB3 PHE 57 1.546 -5.132 6.837 447 HB3 PHE 57 HB2 PHE 57 0.532 -5.722 8.148 448 HD1 PHE 57 HD1 PHE 57 0.874 -3.819 10.287 449 HD2 PHE 57 HD2 PHE 57 0.650 -3.084 6.060 450 HE1 PHE 57 HE1 PHE 57 0.053 -1.524 10.730 451 HE2 PHE 57 HE2 PHE 57 -0.176 -0.792 6.509 452 HZ PHE 57 HZ PHE 57 -0.467 -0.009 8.840 453 HA PRO 58 HA PRO 58 5.641 -7.635 7.021 454 HB2 PRO 58 HB2 PRO 58 7.116 -8.726 9.077 455 HB3 PRO 58 HB3 PRO 58 7.423 -7.107 8.415 456 HG2 PRO 58 HG3 PRO 58 5.866 -7.878 10.857 457 HG3 PRO 58 HG2 PRO 58 7.072 -6.589 10.656 458 HD2 PRO 58 HD3 PRO 58 4.426 -6.035 10.603 459 HD3 PRO 58 HD2 PRO 58 5.567 -5.172 9.546 460 H GLY 59 H GLY 59 3.017 -8.431 8.722 461 HA2 GLY 59 HA3 GLY 59 2.864 -11.115 7.765 462 HA3 GLY 59 HA2 GLY 59 3.306 -11.153 9.472 463 H MET 60 H MET 60 1.855 -9.002 10.464 464 HA MET 60 HA MET 60 -0.776 -10.144 10.700 465 HB2 MET 60 HB3 MET 60 0.300 -7.414 11.476 466 HB3 MET 60 HB2 MET 60 -1.304 -7.999 11.913 467 HG2 MET 60 HG3 MET 60 0.127 -8.454 13.787 468 HG3 MET 60 HG2 MET 60 -0.162 -10.000 12.992 469 HE1 MET 60 HE1 MET 60 1.845 -10.348 14.769 470 HE2 MET 60 HE2 MET 60 3.367 -10.778 13.977 471 HE3 MET 60 HE3 MET 60 1.853 -11.496 13.433 472 H THR 61 H THR 61 -1.802 -10.253 8.682 473 HA THR 61 HA THR 61 -3.019 -7.786 7.723 474 HB THR 61 HB THR 61 -1.122 -9.242 5.855 475 HG1 THR 61 HG1 THR 61 0.330 -7.956 6.608 476 HG21 THR 61 HG21 THR 61 -1.587 -7.253 4.405 477 HG22 THR 61 HG22 THR 61 -2.809 -6.742 5.569 478 HG23 THR 61 HG23 THR 61 -3.008 -8.257 4.688 479 H GLY 62 H GLY 62 -2.158 -10.830 6.053 480 HA2 GLY 62 HA3 GLY 62 -4.783 -11.248 5.024 481 HA3 GLY 62 HA2 GLY 62 -3.545 -12.499 5.158 Start of MODEL 13 1 H2 PRO 1 H2 PRO 1 -15.234 -2.275 1.495 2 H3 PRO 1 H3 PRO 1 -15.280 -3.811 0.761 3 HA PRO 1 HA PRO 1 -13.600 -4.408 2.067 4 HB2 PRO 1 HB2 PRO 1 -11.399 -2.891 1.352 5 HB3 PRO 1 HB3 PRO 1 -12.028 -4.229 0.368 6 HG2 PRO 1 HG3 PRO 1 -12.364 -1.295 -0.005 7 HG3 PRO 1 HG2 PRO 1 -12.268 -2.584 -1.221 8 HD2 PRO 1 HD3 PRO 1 -14.638 -1.385 -0.426 9 HD3 PRO 1 HD2 PRO 1 -14.533 -2.997 -1.143 10 H GLU 2 H GLU 2 -15.244 -1.921 2.874 11 HA GLU 2 HA GLU 2 -13.638 -0.089 4.307 12 HB2 GLU 2 HB3 GLU 2 -16.347 -1.141 5.165 13 HB3 GLU 2 HB2 GLU 2 -15.622 0.401 5.619 14 HG2 GLU 2 HG3 GLU 2 -15.614 1.079 3.229 15 HG3 GLU 2 HG2 GLU 2 -16.404 -0.442 2.812 16 H GLU 3 H GLU 3 -14.486 -3.395 5.025 17 HA GLU 3 HA GLU 3 -13.977 -3.394 7.831 18 HB2 GLU 3 HB3 GLU 3 -15.046 -5.280 6.640 19 HB3 GLU 3 HB2 GLU 3 -13.521 -5.623 5.823 20 HG2 GLU 3 HG3 GLU 3 -12.436 -6.170 7.905 21 HG3 GLU 3 HG2 GLU 3 -13.817 -5.594 8.839 22 H VAL 4 H VAL 4 -11.781 -4.231 5.120 23 HA VAL 4 HA VAL 4 -9.480 -4.464 6.871 24 HB VAL 4 HB VAL 4 -9.525 -4.032 3.870 25 HG11 VAL 4 HG11 VAL 4 -7.491 -5.238 5.772 26 HG12 VAL 4 HG12 VAL 4 -7.314 -3.737 4.866 27 HG13 VAL 4 HG13 VAL 4 -7.363 -5.279 4.014 28 HG21 VAL 4 HG21 VAL 4 -9.671 -6.568 5.526 29 HG22 VAL 4 HG22 VAL 4 -9.432 -6.522 3.779 30 HG23 VAL 4 HG23 VAL 4 -10.939 -5.931 4.479 31 H ILE 5 H ILE 5 -10.606 -1.905 4.618 32 HA ILE 5 HA ILE 5 -8.446 -0.127 4.943 33 HB ILE 5 HB ILE 5 -11.393 0.571 4.734 34 HG12 ILE 5 HG13 ILE 5 -9.282 0.387 2.558 35 HG13 ILE 5 HG12 ILE 5 -10.418 -0.912 2.920 36 HG21 ILE 5 HG21 ILE 5 -10.450 2.701 3.732 37 HG22 ILE 5 HG22 ILE 5 -8.862 2.186 4.299 38 HG23 ILE 5 HG23 ILE 5 -10.151 2.512 5.457 39 HD11 ILE 5 HD11 ILE 5 -11.205 0.531 1.051 40 HD12 ILE 5 HD12 ILE 5 -11.215 1.911 2.148 41 HD13 ILE 5 HD13 ILE 5 -12.309 0.557 2.425 42 H SER 6 H SER 6 -10.909 -1.087 7.175 43 HA SER 6 HA SER 6 -10.697 1.127 9.003 44 HB2 SER 6 HB3 SER 6 -11.986 -0.177 10.482 45 HB3 SER 6 HB2 SER 6 -12.465 -0.802 8.907 46 HG SER 6 HG SER 6 -10.513 -1.879 10.669 47 H LYS 7 H LYS 7 -8.910 -1.922 8.618 48 HA LYS 7 HA LYS 7 -7.393 -1.575 11.075 49 HB2 LYS 7 HB3 LYS 7 -6.234 -3.533 10.476 50 HB3 LYS 7 HB2 LYS 7 -7.806 -3.759 9.730 51 HG2 LYS 7 HG3 LYS 7 -6.571 -4.255 7.854 52 HG3 LYS 7 HG2 LYS 7 -6.485 -2.520 7.671 53 HD2 LYS 7 HD3 LYS 7 -4.256 -3.408 7.435 54 HD3 LYS 7 HD2 LYS 7 -4.327 -2.530 8.957 55 HE2 LYS 7 HE3 LYS 7 -4.101 -4.461 10.226 56 HE3 LYS 7 HE2 LYS 7 -4.970 -5.459 9.060 57 HZ1 LYS 7 HZ1 LYS 7 -2.814 -4.750 7.653 58 HZ2 LYS 7 HZ2 LYS 7 -2.931 -6.180 8.557 59 HZ3 LYS 7 HZ3 LYS 7 -2.157 -4.819 9.217 60 H ILE 8 H ILE 8 -6.994 -0.555 7.755 61 HA ILE 8 HA ILE 8 -4.212 0.206 8.002 62 HB ILE 8 HB ILE 8 -6.429 0.792 6.038 63 HG12 ILE 8 HG13 ILE 8 -3.780 -0.428 5.305 64 HG13 ILE 8 HG12 ILE 8 -4.850 -1.399 6.307 65 HG21 ILE 8 HG21 ILE 8 -5.206 2.836 5.931 66 HG22 ILE 8 HG22 ILE 8 -4.562 1.855 4.617 67 HG23 ILE 8 HG23 ILE 8 -3.658 2.012 6.123 68 HD11 ILE 8 HD11 ILE 8 -6.507 -1.511 4.672 69 HD12 ILE 8 HD12 ILE 8 -5.033 -1.587 3.713 70 HD13 ILE 8 HD13 ILE 8 -5.930 -0.075 3.837 71 H MET 9 H MET 9 -7.168 1.665 9.042 72 HA MET 9 HA MET 9 -6.357 4.411 8.985 73 HB2 MET 9 HB3 MET 9 -8.230 4.839 10.342 74 HB3 MET 9 HB2 MET 9 -8.689 3.327 9.565 75 HG2 MET 9 HG3 MET 9 -7.579 2.191 11.649 76 HG3 MET 9 HG2 MET 9 -7.743 3.777 12.396 77 HE1 MET 9 HE1 MET 9 -10.700 2.355 14.183 78 HE2 MET 9 HE2 MET 9 -9.389 3.542 14.190 79 HE3 MET 9 HE3 MET 9 -9.029 1.828 14.001 80 H GLU 10 H GLU 10 -5.062 1.783 10.592 81 HA GLU 10 HA GLU 10 -4.350 2.729 13.151 82 HB2 GLU 10 HB3 GLU 10 -2.437 1.178 12.999 83 HB3 GLU 10 HB2 GLU 10 -3.904 0.432 12.364 84 HG2 GLU 10 HG3 GLU 10 -3.160 1.179 10.049 85 HG3 GLU 10 HG2 GLU 10 -1.618 1.637 10.773 86 H ASN 11 H ASN 11 -3.502 4.059 10.152 87 HA ASN 11 HA ASN 11 -1.551 5.862 11.456 88 HB2 ASN 11 HB3 ASN 11 -0.248 3.913 10.538 89 HB3 ASN 11 HB2 ASN 11 -0.843 4.335 8.933 90 HD21 ASN 11 HD22 ASN 11 -0.625 7.277 10.376 91 HD22 ASN 11 HD21 ASN 11 0.974 7.690 9.982 92 HA PRO 12 HA PRO 12 -4.595 8.116 8.747 93 HB2 PRO 12 HB2 PRO 12 -2.991 10.286 10.102 94 HB3 PRO 12 HB3 PRO 12 -4.734 10.236 9.752 95 HG2 PRO 12 HG3 PRO 12 -3.874 9.724 12.195 96 HG3 PRO 12 HG2 PRO 12 -5.167 8.738 11.484 97 HD2 PRO 12 HD3 PRO 12 -2.282 8.029 11.913 98 HD3 PRO 12 HD2 PRO 12 -3.718 6.980 11.976 99 H ASP 13 H ASP 13 -1.170 8.014 8.930 100 HA ASP 13 HA ASP 13 -0.557 9.792 6.726 101 HB2 ASP 13 HB3 ASP 13 1.087 9.066 8.496 102 HB3 ASP 13 HB2 ASP 13 1.077 7.458 7.772 103 H VAL 14 H VAL 14 -1.082 6.296 7.078 104 HA VAL 14 HA VAL 14 -0.598 5.713 4.265 105 HB VAL 14 HB VAL 14 -2.040 4.149 6.437 106 HG11 VAL 14 HG11 VAL 14 -1.089 3.330 3.676 107 HG12 VAL 14 HG12 VAL 14 -2.755 3.364 4.253 108 HG13 VAL 14 HG13 VAL 14 -1.618 2.201 4.922 109 HG21 VAL 14 HG21 VAL 14 0.052 2.908 6.623 110 HG22 VAL 14 HG22 VAL 14 0.379 4.627 6.846 111 HG23 VAL 14 HG23 VAL 14 0.761 3.849 5.310 112 H ALA 15 H ALA 15 -3.416 6.309 6.303 113 HA ALA 15 HA ALA 15 -5.430 5.816 4.361 114 HB1 ALA 15 HB1 ALA 15 -5.451 7.930 6.528 115 HB2 ALA 15 HB2 ALA 15 -5.774 6.220 6.817 116 HB3 ALA 15 HB3 ALA 15 -6.852 7.159 5.784 117 H MET 16 H MET 16 -3.404 8.625 5.029 118 HA MET 16 HA MET 16 -4.738 10.360 3.101 119 HB2 MET 16 HB3 MET 16 -3.403 11.163 5.091 120 HB3 MET 16 HB2 MET 16 -1.948 10.611 4.263 121 HG2 MET 16 HG3 MET 16 -2.394 12.121 2.394 122 HG3 MET 16 HG2 MET 16 -3.919 12.617 3.126 123 HE1 MET 16 HE1 MET 16 0.338 13.835 4.217 124 HE2 MET 16 HE2 MET 16 -0.298 13.266 2.667 125 HE3 MET 16 HE3 MET 16 -0.121 12.146 4.016 126 H ALA 17 H ALA 17 -1.948 8.216 3.172 127 HA ALA 17 HA ALA 17 -0.966 8.934 0.541 128 HB1 ALA 17 HB1 ALA 17 0.492 7.042 0.776 129 HB2 ALA 17 HB2 ALA 17 -0.566 6.289 1.968 130 HB3 ALA 17 HB3 ALA 17 0.341 7.741 2.387 131 H PHE 18 H PHE 18 -3.296 6.676 1.854 132 HA PHE 18 HA PHE 18 -3.690 5.000 -0.405 133 HB2 PHE 18 HB3 PHE 18 -5.216 5.803 2.005 134 HB3 PHE 18 HB2 PHE 18 -6.236 5.306 0.661 135 HD1 PHE 18 HD1 PHE 18 -2.845 4.122 1.742 136 HD2 PHE 18 HD2 PHE 18 -6.983 3.113 1.157 137 HE1 PHE 18 HE1 PHE 18 -2.350 1.755 2.285 138 HE2 PHE 18 HE2 PHE 18 -6.482 0.749 1.693 139 HZ PHE 18 HZ PHE 18 -4.161 0.069 2.247 140 H GLN 19 H GLN 19 -4.382 8.343 0.093 141 HA GLN 19 HA GLN 19 -6.347 8.498 -2.113 142 HB2 GLN 19 HB3 GLN 19 -5.057 10.681 -0.446 143 HB3 GLN 19 HB2 GLN 19 -6.393 10.901 -1.576 144 HG2 GLN 19 HG3 GLN 19 -7.814 9.429 -0.252 145 HG3 GLN 19 HG2 GLN 19 -6.474 9.069 0.838 146 HE21 GLN 19 HE22 GLN 19 -6.778 10.193 2.763 147 HE22 GLN 19 HE21 GLN 19 -7.329 11.794 2.881 148 H ASN 20 H ASN 20 -3.440 7.677 -2.508 149 HA ASN 20 HA ASN 20 -2.592 9.844 -4.393 150 HB2 ASN 20 HB3 ASN 20 -1.039 7.641 -2.999 151 HB3 ASN 20 HB2 ASN 20 -0.361 8.610 -4.304 152 HD21 ASN 20 HD22 ASN 20 -2.537 9.685 -1.652 153 HD22 ASN 20 HD21 ASN 20 -1.442 10.809 -1.005 154 HA PRO 21 HA PRO 21 -3.739 7.030 -7.604 155 HB2 PRO 21 HB2 PRO 21 -2.107 7.821 -9.669 156 HB3 PRO 21 HB3 PRO 21 -3.486 8.789 -9.105 157 HG2 PRO 21 HG3 PRO 21 -0.582 9.082 -8.435 158 HG3 PRO 21 HG2 PRO 21 -1.768 10.334 -8.854 159 HD2 PRO 21 HD3 PRO 21 -1.065 9.830 -6.267 160 HD3 PRO 21 HD2 PRO 21 -2.708 10.350 -6.712 161 H ARG 22 H ARG 22 -0.187 7.391 -7.291 162 HA ARG 22 HA ARG 22 0.476 4.883 -8.487 163 HB2 ARG 22 HB3 ARG 22 2.004 6.262 -6.258 164 HB3 ARG 22 HB2 ARG 22 2.651 5.149 -7.463 165 HG2 ARG 22 HG3 ARG 22 1.459 7.880 -8.047 166 HG3 ARG 22 HG2 ARG 22 3.177 7.493 -8.041 167 HD2 ARG 22 HD3 ARG 22 2.544 5.667 -9.800 168 HD3 ARG 22 HD2 ARG 22 1.059 6.601 -9.996 169 HE ARG 22 HE ARG 22 3.675 7.360 -10.972 170 HH11 ARG 22 HH22 ARG 22 0.701 8.506 -9.645 171 HH12 ARG 22 HH21 ARG 22 0.821 10.067 -10.387 172 HH21 ARG 22 HH11 ARG 22 3.843 9.391 -11.945 173 HH22 ARG 22 HH12 ARG 22 2.598 10.567 -11.688 174 H VAL 23 H VAL 23 -0.505 5.762 -5.225 175 HA VAL 23 HA VAL 23 0.096 3.159 -4.071 176 HB VAL 23 HB VAL 23 -1.725 5.376 -3.086 177 HG11 VAL 23 HG11 VAL 23 -2.316 3.342 -1.954 178 HG12 VAL 23 HG12 VAL 23 -1.271 4.236 -0.851 179 HG13 VAL 23 HG13 VAL 23 -0.625 2.876 -1.771 180 HG21 VAL 23 HG21 VAL 23 1.142 4.677 -2.375 181 HG22 VAL 23 HG22 VAL 23 0.201 6.005 -1.694 182 HG23 VAL 23 HG23 VAL 23 0.661 6.029 -3.397 183 H GLN 24 H GLN 24 -2.967 4.799 -4.978 184 HA GLN 24 HA GLN 24 -4.669 2.572 -4.503 185 HB2 GLN 24 HB3 GLN 24 -5.455 4.903 -5.010 186 HB3 GLN 24 HB2 GLN 24 -4.974 4.658 -6.689 187 HG2 GLN 24 HG3 GLN 24 -6.541 2.812 -6.922 188 HG3 GLN 24 HG2 GLN 24 -6.951 2.900 -5.208 189 HE21 GLN 24 HE22 GLN 24 -8.942 3.226 -7.262 190 HE22 GLN 24 HE21 GLN 24 -9.505 4.826 -7.201 191 H ALA 25 H ALA 25 -2.631 3.444 -7.228 192 HA ALA 25 HA ALA 25 -3.567 1.301 -8.966 193 HB1 ALA 25 HB1 ALA 25 -2.502 3.381 -9.833 194 HB2 ALA 25 HB2 ALA 25 -1.644 1.934 -10.362 195 HB3 ALA 25 HB3 ALA 25 -0.994 2.913 -9.048 196 H ALA 26 H ALA 26 -1.109 1.696 -6.500 197 HA ALA 26 HA ALA 26 0.398 -0.675 -7.157 198 HB1 ALA 26 HB1 ALA 26 0.107 0.796 -4.519 199 HB2 ALA 26 HB2 ALA 26 1.336 1.108 -5.742 200 HB3 ALA 26 HB3 ALA 26 1.328 -0.426 -4.872 201 H LEU 27 H LEU 27 -2.279 -0.006 -4.902 202 HA LEU 27 HA LEU 27 -2.419 -2.736 -3.928 203 HB2 LEU 27 HB3 LEU 27 -4.431 -0.468 -3.891 204 HB3 LEU 27 HB2 LEU 27 -4.672 -2.003 -3.062 205 HG LEU 27 HG LEU 27 -2.168 -0.381 -2.554 206 HD11 LEU 27 HD11 LEU 27 -3.346 0.667 -0.629 207 HD12 LEU 27 HD12 LEU 27 -4.862 -0.020 -1.211 208 HD13 LEU 27 HD13 LEU 27 -4.007 1.178 -2.182 209 HD21 LEU 27 HD21 LEU 27 -2.221 -2.655 -1.641 210 HD22 LEU 27 HD22 LEU 27 -3.795 -2.355 -0.908 211 HD23 LEU 27 HD23 LEU 27 -2.370 -1.502 -0.321 212 H MET 28 H MET 28 -4.363 -0.856 -6.271 213 HA MET 28 HA MET 28 -6.097 -2.973 -7.035 214 HB2 MET 28 HB3 MET 28 -6.365 -0.570 -7.713 215 HB3 MET 28 HB2 MET 28 -5.015 -0.776 -8.830 216 HG2 MET 28 HG3 MET 28 -6.227 -2.488 -10.059 217 HG3 MET 28 HG2 MET 28 -7.543 -2.449 -8.885 218 HE1 MET 28 HE1 MET 28 -7.351 -1.830 -12.291 219 HE2 MET 28 HE2 MET 28 -8.868 -0.920 -12.270 220 HE3 MET 28 HE3 MET 28 -8.697 -2.377 -11.295 221 H GLU 29 H GLU 29 -2.867 -2.058 -8.176 222 HA GLU 29 HA GLU 29 -2.761 -4.138 -10.207 223 HB2 GLU 29 HB3 GLU 29 -1.378 -2.064 -10.306 224 HB3 GLU 29 HB2 GLU 29 -0.486 -2.621 -8.889 225 HG2 GLU 29 HG3 GLU 29 0.325 -4.565 -10.080 226 HG3 GLU 29 HG2 GLU 29 -0.713 -4.211 -11.461 227 H CYS 30 H CYS 30 -2.067 -3.934 -6.774 228 HA CYS 30 HA CYS 30 -0.311 -6.169 -6.527 229 HB2 CYS 30 HB3 CYS 30 -0.935 -4.558 -4.683 230 HB3 CYS 30 HB2 CYS 30 -2.480 -5.397 -4.552 231 HG CYS 30 HG CYS 30 -0.703 -7.600 -4.261 232 H SER 31 H SER 31 -3.838 -6.011 -6.797 233 HA SER 31 HA SER 31 -4.534 -8.613 -6.126 234 HB2 SER 31 HB3 SER 31 -6.142 -6.816 -6.767 235 HB3 SER 31 HB2 SER 31 -5.662 -7.032 -8.448 236 HG SER 31 HG SER 31 -6.906 -8.716 -8.528 237 H GLU 32 H GLU 32 -2.835 -7.466 -8.955 238 HA GLU 32 HA GLU 32 -3.224 -9.812 -10.590 239 HB2 GLU 32 HB3 GLU 32 -0.998 -7.749 -10.579 240 HB3 GLU 32 HB2 GLU 32 -1.242 -8.953 -11.843 241 HG2 GLU 32 HG3 GLU 32 -3.354 -6.934 -11.026 242 HG3 GLU 32 HG2 GLU 32 -2.231 -6.683 -12.362 243 H ASN 33 H ASN 33 -0.416 -8.732 -8.658 244 HA ASN 33 HA ASN 33 0.126 -11.209 -7.429 245 HB2 ASN 33 HB3 ASN 33 2.248 -11.699 -9.004 246 HB3 ASN 33 HB2 ASN 33 0.665 -12.356 -9.407 247 HD21 ASN 33 HD22 ASN 33 1.393 -8.899 -9.730 248 HD22 ASN 33 HD21 ASN 33 1.355 -8.873 -11.427 249 HA PRO 34 HA PRO 34 3.010 -8.675 -5.227 250 HB2 PRO 34 HB2 PRO 34 5.311 -10.353 -5.226 251 HB3 PRO 34 HB3 PRO 34 4.033 -10.317 -3.998 252 HG2 PRO 34 HG3 PRO 34 4.383 -12.165 -6.309 253 HG3 PRO 34 HG2 PRO 34 3.732 -12.489 -4.690 254 HD2 PRO 34 HD3 PRO 34 2.089 -12.280 -6.799 255 HD3 PRO 34 HD2 PRO 34 1.613 -11.608 -5.224 256 H MET 35 H MET 35 3.543 -9.626 -8.435 257 HA MET 35 HA MET 35 6.116 -8.466 -8.939 258 HB2 MET 35 HB3 MET 35 4.848 -9.998 -10.502 259 HB3 MET 35 HB2 MET 35 3.775 -8.648 -10.865 260 HG2 MET 35 HG3 MET 35 5.576 -7.362 -11.804 261 HG3 MET 35 HG2 MET 35 6.784 -8.503 -11.215 262 HE1 MET 35 HE1 MET 35 7.759 -10.255 -12.539 263 HE2 MET 35 HE2 MET 35 6.831 -11.384 -13.535 264 HE3 MET 35 HE3 MET 35 6.449 -11.191 -11.826 265 H ASN 36 H ASN 36 3.225 -7.088 -7.962 266 HA ASN 36 HA ASN 36 3.109 -4.665 -9.420 267 HB2 ASN 36 HB3 ASN 36 2.071 -3.744 -7.256 268 HB3 ASN 36 HB2 ASN 36 1.286 -5.156 -7.957 269 HD21 ASN 36 HD22 ASN 36 0.853 -4.760 -5.261 270 HD22 ASN 36 HD21 ASN 36 1.739 -5.877 -4.340 271 H ILE 37 H ILE 37 4.591 -5.190 -6.215 272 HA ILE 37 HA ILE 37 5.856 -2.663 -6.100 273 HB ILE 37 HB ILE 37 5.474 -4.434 -4.238 274 HG12 ILE 37 HG13 ILE 37 7.494 -3.604 -2.968 275 HG13 ILE 37 HG12 ILE 37 8.072 -2.878 -4.465 276 HG21 ILE 37 HG21 ILE 37 7.199 -6.023 -3.818 277 HG22 ILE 37 HG22 ILE 37 8.255 -5.321 -5.042 278 HG23 ILE 37 HG23 ILE 37 6.802 -6.196 -5.527 279 HD11 ILE 37 HD11 ILE 37 6.532 -1.180 -4.392 280 HD12 ILE 37 HD12 ILE 37 6.535 -1.545 -2.670 281 HD13 ILE 37 HD13 ILE 37 5.266 -2.197 -3.703 282 H MET 38 H MET 38 6.928 -5.717 -7.507 283 HA MET 38 HA MET 38 9.652 -5.081 -7.942 284 HB2 MET 38 HB3 MET 38 7.714 -6.700 -9.623 285 HB3 MET 38 HB2 MET 38 9.451 -6.645 -9.919 286 HG2 MET 38 HG3 MET 38 8.259 -7.443 -7.250 287 HG3 MET 38 HG2 MET 38 8.663 -8.607 -8.511 288 HE1 MET 38 HE1 MET 38 10.055 -9.829 -6.831 289 HE2 MET 38 HE2 MET 38 9.904 -8.648 -5.523 290 HE3 MET 38 HE3 MET 38 11.494 -9.229 -6.010 291 H LYS 39 H LYS 39 6.807 -3.717 -9.298 292 HA LYS 39 HA LYS 39 8.285 -2.511 -11.596 293 HB2 LYS 39 HB3 LYS 39 5.341 -2.487 -10.857 294 HB3 LYS 39 HB2 LYS 39 6.030 -1.728 -12.292 295 HG2 LYS 39 HG3 LYS 39 6.722 -3.842 -13.193 296 HG3 LYS 39 HG2 LYS 39 6.394 -4.672 -11.674 297 HD2 LYS 39 HD3 LYS 39 4.614 -5.074 -13.362 298 HD3 LYS 39 HD2 LYS 39 3.997 -4.269 -11.921 299 HE2 LYS 39 HE3 LYS 39 3.261 -3.333 -14.228 300 HE3 LYS 39 HE2 LYS 39 3.820 -2.176 -13.021 301 HZ1 LYS 39 HZ1 LYS 39 5.745 -1.797 -14.135 302 HZ2 LYS 39 HZ2 LYS 39 4.761 -2.189 -15.460 303 HZ3 LYS 39 HZ3 LYS 39 5.811 -3.355 -14.809 304 H TYR 40 H TYR 40 6.256 -1.537 -8.807 305 HA TYR 40 HA TYR 40 6.812 1.281 -9.167 306 HB2 TYR 40 HB3 TYR 40 5.782 -0.196 -6.725 307 HB3 TYR 40 HB2 TYR 40 5.672 1.531 -7.030 308 HD1 TYR 40 HD2 TYR 40 4.605 2.223 -9.321 309 HD2 TYR 40 HD1 TYR 40 3.935 -1.541 -7.363 310 HE1 TYR 40 HE2 TYR 40 2.519 1.921 -10.623 311 HE2 TYR 40 HE1 TYR 40 1.851 -1.844 -8.670 312 HH TYR 40 HH TYR 40 0.482 0.710 -10.573 313 H GLN 41 H GLN 41 8.868 -1.100 -8.423 314 HA GLN 41 HA GLN 41 10.166 -0.404 -6.022 315 HB2 GLN 41 HB3 GLN 41 12.237 -1.323 -7.142 316 HB3 GLN 41 HB2 GLN 41 10.832 -2.386 -7.223 317 HG2 GLN 41 HG3 GLN 41 10.342 -1.613 -9.497 318 HG3 GLN 41 HG2 GLN 41 11.700 -0.489 -9.425 319 HE21 GLN 41 HE22 GLN 41 13.447 -1.317 -10.569 320 HE22 GLN 41 HE21 GLN 41 13.904 -2.951 -10.607 321 H ASN 42 H ASN 42 9.962 1.325 -8.999 322 HA ASN 42 HA ASN 42 12.271 3.077 -8.355 323 HB2 ASN 42 HB3 ASN 42 11.850 2.392 -10.712 324 HB3 ASN 42 HB2 ASN 42 10.285 3.203 -10.648 325 HD21 ASN 42 HD22 ASN 42 13.728 3.706 -10.999 326 HD22 ASN 42 HD21 ASN 42 13.663 5.393 -11.180 327 H ASP 43 H ASP 43 8.838 2.920 -7.966 328 HA ASP 43 HA ASP 43 8.509 5.829 -7.603 329 HB2 ASP 43 HB3 ASP 43 6.738 4.183 -8.523 330 HB3 ASP 43 HB2 ASP 43 6.512 3.680 -6.851 331 H LYS 44 H LYS 44 9.948 6.237 -5.828 332 HA LYS 44 HA LYS 44 10.188 4.841 -3.452 333 HB2 LYS 44 HB3 LYS 44 10.292 7.820 -3.959 334 HB3 LYS 44 HB2 LYS 44 10.740 7.095 -2.413 335 HG2 LYS 44 HG3 LYS 44 12.532 5.854 -3.402 336 HG3 LYS 44 HG2 LYS 44 11.975 6.216 -5.035 337 HD2 LYS 44 HD3 LYS 44 13.923 7.613 -4.410 338 HD3 LYS 44 HD2 LYS 44 12.490 8.594 -4.710 339 HE2 LYS 44 HE3 LYS 44 13.125 7.667 -1.908 340 HE3 LYS 44 HE2 LYS 44 13.918 9.093 -2.576 341 HZ1 LYS 44 HZ1 LYS 44 12.112 10.199 -1.963 342 HZ2 LYS 44 HZ2 LYS 44 11.235 8.781 -1.653 343 HZ3 LYS 44 HZ3 LYS 44 11.289 9.417 -3.227 344 H GLU 45 H GLU 45 7.585 7.019 -4.411 345 HA GLU 45 HA GLU 45 6.397 7.389 -1.854 346 HB2 GLU 45 HB3 GLU 45 5.767 8.573 -4.015 347 HB3 GLU 45 HB2 GLU 45 4.894 7.113 -4.476 348 HG2 GLU 45 HG3 GLU 45 3.288 8.589 -3.466 349 HG3 GLU 45 HG2 GLU 45 3.608 7.314 -2.293 350 H VAL 46 H VAL 46 5.732 4.915 -4.337 351 HA VAL 46 HA VAL 46 3.850 3.458 -2.738 352 HB VAL 46 HB VAL 46 5.581 2.466 -5.012 353 HG11 VAL 46 HG11 VAL 46 3.025 1.420 -3.761 354 HG12 VAL 46 HG12 VAL 46 4.591 0.610 -3.814 355 HG13 VAL 46 HG13 VAL 46 3.670 0.842 -5.297 356 HG21 VAL 46 HG21 VAL 46 3.672 3.023 -6.448 357 HG22 VAL 46 HG22 VAL 46 4.217 4.467 -5.593 358 HG23 VAL 46 HG23 VAL 46 2.772 3.613 -5.050 359 H MET 47 H MET 47 7.357 3.246 -3.152 360 HA MET 47 HA MET 47 7.712 0.745 -1.807 361 HB2 MET 47 HB3 MET 47 9.591 3.125 -1.927 362 HB3 MET 47 HB2 MET 47 10.043 1.495 -1.433 363 HG2 MET 47 HG3 MET 47 9.581 0.614 -3.623 364 HG3 MET 47 HG2 MET 47 8.831 2.125 -4.136 365 HE1 MET 47 HE1 MET 47 11.878 0.007 -3.976 366 HE2 MET 47 HE2 MET 47 12.119 0.816 -2.421 367 HE3 MET 47 HE3 MET 47 13.253 1.083 -3.741 368 H ASP 48 H ASP 48 7.829 4.084 -0.598 369 HA ASP 48 HA ASP 48 8.303 3.412 2.131 370 HB2 ASP 48 HB3 ASP 48 7.061 5.766 0.704 371 HB3 ASP 48 HB2 ASP 48 7.089 5.718 2.467 372 H VAL 49 H VAL 49 5.352 3.574 0.225 373 HA VAL 49 HA VAL 49 3.563 3.304 2.507 374 HB VAL 49 HB VAL 49 3.186 3.000 -0.483 375 HG11 VAL 49 HG11 VAL 49 1.425 1.722 0.494 376 HG12 VAL 49 HG12 VAL 49 0.721 3.298 0.140 377 HG13 VAL 49 HG13 VAL 49 1.192 2.896 1.790 378 HG21 VAL 49 HG21 VAL 49 2.226 5.219 1.341 379 HG22 VAL 49 HG22 VAL 49 2.343 5.232 -0.417 380 HG23 VAL 49 HG23 VAL 49 3.805 5.269 0.564 381 H PHE 50 H PHE 50 4.428 1.121 -0.173 382 HA PHE 50 HA PHE 50 3.105 -1.142 0.957 383 HB2 PHE 50 HB3 PHE 50 4.762 -0.557 -1.385 384 HB3 PHE 50 HB2 PHE 50 5.123 -2.152 -0.732 385 HD1 PHE 50 HD1 PHE 50 2.325 0.079 -1.758 386 HD2 PHE 50 HD2 PHE 50 3.607 -3.967 -1.098 387 HE1 PHE 50 HE1 PHE 50 0.191 -0.746 -2.699 388 HE2 PHE 50 HE2 PHE 50 1.472 -4.793 -2.046 389 HZ PHE 50 HZ PHE 50 -0.235 -3.186 -2.851 390 H ASN 51 H ASN 51 6.231 0.274 1.478 391 HA ASN 51 HA ASN 51 7.334 -2.082 2.839 392 HB2 ASN 51 HB3 ASN 51 8.827 -0.422 1.743 393 HB3 ASN 51 HB2 ASN 51 8.267 0.809 2.877 394 HD21 ASN 51 HD22 ASN 51 9.161 -2.644 3.415 395 HD22 ASN 51 HD21 ASN 51 10.334 -2.308 4.594 396 H LYS 52 H LYS 52 5.425 0.724 3.609 397 HA LYS 52 HA LYS 52 5.849 0.515 6.508 398 HB2 LYS 52 HB3 LYS 52 5.283 2.694 5.566 399 HB3 LYS 52 HB2 LYS 52 3.816 2.039 4.844 400 HG2 LYS 52 HG3 LYS 52 2.798 1.681 6.977 401 HG3 LYS 52 HG2 LYS 52 4.316 1.949 7.831 402 HD2 LYS 52 HD3 LYS 52 3.192 4.165 6.114 403 HD3 LYS 52 HD2 LYS 52 2.497 3.882 7.707 404 HE2 LYS 52 HE3 LYS 52 5.437 4.402 7.153 405 HE3 LYS 52 HE2 LYS 52 4.294 5.570 7.811 406 HZ1 LYS 52 HZ1 LYS 52 3.880 3.893 9.619 407 HZ2 LYS 52 HZ2 LYS 52 5.401 4.642 9.642 408 HZ3 LYS 52 HZ3 LYS 52 5.246 3.057 9.051 409 H ILE 53 H ILE 53 3.301 -0.191 4.188 410 HA ILE 53 HA ILE 53 1.342 -1.308 5.843 411 HB ILE 53 HB ILE 53 2.195 -1.511 3.007 412 HG12 ILE 53 HG13 ILE 53 -0.067 -0.934 2.523 413 HG13 ILE 53 HG12 ILE 53 -0.614 -1.436 4.113 414 HG21 ILE 53 HG21 ILE 53 2.034 -3.871 3.303 415 HG22 ILE 53 HG22 ILE 53 0.538 -3.359 2.528 416 HG23 ILE 53 HG23 ILE 53 0.555 -3.715 4.254 417 HD11 ILE 53 HD11 ILE 53 1.463 0.693 4.060 418 HD12 ILE 53 HD12 ILE 53 0.060 0.517 5.107 419 HD13 ILE 53 HD13 ILE 53 -0.131 1.133 3.471 420 H SER 54 H SER 54 4.207 -2.854 4.431 421 HA SER 54 HA SER 54 3.592 -5.419 5.675 422 HB2 SER 54 HB3 SER 54 4.745 -5.444 3.567 423 HB3 SER 54 HB2 SER 54 6.009 -4.383 4.183 424 HG SER 54 HG SER 54 5.973 -6.997 4.221 425 H GLN 55 H GLN 55 5.540 -2.623 6.572 426 HA GLN 55 HA GLN 55 7.067 -4.113 8.585 427 HB2 GLN 55 HB3 GLN 55 6.782 -1.191 7.870 428 HB3 GLN 55 HB2 GLN 55 7.638 -1.677 9.331 429 HG2 GLN 55 HG3 GLN 55 8.307 -2.812 6.599 430 HG3 GLN 55 HG2 GLN 55 9.088 -1.370 7.247 431 HE21 GLN 55 HE22 GLN 55 10.208 -4.164 6.721 432 HE22 GLN 55 HE21 GLN 55 10.894 -4.632 8.201 433 H LEU 56 H LEU 56 4.150 -2.134 8.494 434 HA LEU 56 HA LEU 56 3.877 -2.256 11.437 435 HB2 LEU 56 HB3 LEU 56 2.278 -0.963 9.221 436 HB3 LEU 56 HB2 LEU 56 1.659 -1.050 10.865 437 HG LEU 56 HG LEU 56 2.886 1.103 10.257 438 HD11 LEU 56 HD11 LEU 56 2.553 0.132 12.637 439 HD12 LEU 56 HD12 LEU 56 3.772 1.381 12.417 440 HD13 LEU 56 HD13 LEU 56 4.260 -0.304 12.551 441 HD21 LEU 56 HD21 LEU 56 4.727 -0.109 8.993 442 HD22 LEU 56 HD22 LEU 56 5.378 -0.600 10.554 443 HD23 LEU 56 HD23 LEU 56 5.282 1.107 10.133 444 H PHE 57 H PHE 57 2.772 -3.962 8.602 445 HA PHE 57 HA PHE 57 1.634 -6.028 10.291 446 HB2 PHE 57 HB3 PHE 57 -0.640 -5.950 9.060 447 HB3 PHE 57 HB2 PHE 57 -0.373 -4.837 10.391 448 HD1 PHE 57 HD2 PHE 57 0.075 -2.436 9.952 449 HD2 PHE 57 HD1 PHE 57 -0.914 -5.137 6.762 450 HE1 PHE 57 HE2 PHE 57 -0.537 -0.520 8.522 451 HE2 PHE 57 HE1 PHE 57 -1.542 -3.220 5.342 452 HZ PHE 57 HZ PHE 57 -1.363 -0.910 6.227 453 HA PRO 58 HA PRO 58 3.705 -7.590 6.446 454 HB2 PRO 58 HB2 PRO 58 3.416 -10.018 8.204 455 HB3 PRO 58 HB3 PRO 58 4.787 -9.526 7.186 456 HG2 PRO 58 HG3 PRO 58 4.900 -9.152 9.790 457 HG3 PRO 58 HG2 PRO 58 5.470 -7.879 8.690 458 HD2 PRO 58 HD3 PRO 58 2.908 -7.999 10.261 459 HD3 PRO 58 HD2 PRO 58 3.937 -6.593 9.896 460 H GLY 59 H GLY 59 1.829 -7.363 5.105 461 HA2 GLY 59 HA3 GLY 59 0.145 -8.304 3.752 462 HA3 GLY 59 HA2 GLY 59 0.392 -9.839 4.588 463 H MET 60 H MET 60 -0.258 -9.489 7.114 464 HA MET 60 HA MET 60 -2.518 -7.754 7.597 465 HB2 MET 60 HB3 MET 60 -3.553 -9.445 6.059 466 HB3 MET 60 HB2 MET 60 -3.142 -10.701 7.227 467 HG2 MET 60 HG3 MET 60 -4.532 -9.653 8.922 468 HG3 MET 60 HG2 MET 60 -4.847 -8.277 7.865 469 HE1 MET 60 HE1 MET 60 -8.245 -10.196 8.148 470 HE2 MET 60 HE2 MET 60 -7.432 -8.635 8.322 471 HE3 MET 60 HE3 MET 60 -6.986 -9.985 9.362 472 H THR 61 H THR 61 -2.880 -7.637 9.804 473 HA THR 61 HA THR 61 -0.994 -8.772 11.602 474 HB THR 61 HB THR 61 -2.551 -8.009 13.388 475 HG1 THR 61 HG1 THR 61 -4.311 -6.851 11.680 476 HG21 THR 61 HG21 THR 61 -2.348 -6.043 11.092 477 HG22 THR 61 HG22 THR 61 -1.030 -6.419 12.201 478 HG23 THR 61 HG23 THR 61 -2.497 -5.649 12.805 479 H GLY 62 H GLY 62 -4.430 -9.429 12.133 480 HA2 GLY 62 HA3 GLY 62 -3.893 -12.056 13.172 481 HA3 GLY 62 HA2 GLY 62 -5.492 -11.423 12.778 Start of MODEL 14 1 H2 PRO 1 H2 PRO 1 -15.246 -1.868 -0.918 2 H3 PRO 1 H3 PRO 1 -15.129 -3.364 -1.723 3 HA PRO 1 HA PRO 1 -13.753 -4.045 -0.139 4 HB2 PRO 1 HB2 PRO 1 -11.473 -2.469 -0.258 5 HB3 PRO 1 HB3 PRO 1 -11.845 -3.754 -1.424 6 HG2 PRO 1 HG3 PRO 1 -12.148 -0.809 -1.708 7 HG3 PRO 1 HG2 PRO 1 -11.764 -2.029 -2.937 8 HD2 PRO 1 HD3 PRO 1 -14.269 -0.891 -2.631 9 HD3 PRO 1 HD2 PRO 1 -13.983 -2.468 -3.377 10 H GLU 2 H GLU 2 -15.649 -1.821 0.570 11 HA GLU 2 HA GLU 2 -14.507 0.052 2.348 12 HB2 GLU 2 HB3 GLU 2 -17.161 -1.378 2.668 13 HB3 GLU 2 HB2 GLU 2 -16.709 0.155 3.414 14 HG2 GLU 2 HG3 GLU 2 -16.805 -0.311 0.418 15 HG3 GLU 2 HG2 GLU 2 -18.109 0.428 1.347 16 H GLU 3 H GLU 3 -14.996 -3.372 2.695 17 HA GLU 3 HA GLU 3 -14.952 -3.579 5.530 18 HB2 GLU 3 HB3 GLU 3 -13.785 -5.911 4.849 19 HB3 GLU 3 HB2 GLU 3 -15.504 -5.621 4.598 20 HG2 GLU 3 HG3 GLU 3 -15.184 -5.104 2.283 21 HG3 GLU 3 HG2 GLU 3 -13.435 -5.006 2.474 22 H VAL 4 H VAL 4 -12.162 -4.084 3.297 23 HA VAL 4 HA VAL 4 -10.286 -4.075 5.485 24 HB VAL 4 HB VAL 4 -9.803 -5.174 3.324 25 HG11 VAL 4 HG11 VAL 4 -10.883 -3.365 1.927 26 HG12 VAL 4 HG12 VAL 4 -9.314 -3.909 1.339 27 HG13 VAL 4 HG13 VAL 4 -9.447 -2.381 2.207 28 HG21 VAL 4 HG21 VAL 4 -7.974 -4.376 4.861 29 HG22 VAL 4 HG22 VAL 4 -7.857 -2.915 3.881 30 HG23 VAL 4 HG23 VAL 4 -7.485 -4.485 3.171 31 H ILE 5 H ILE 5 -11.285 -1.573 3.152 32 HA ILE 5 HA ILE 5 -9.477 0.448 3.844 33 HB ILE 5 HB ILE 5 -12.419 0.742 3.204 34 HG12 ILE 5 HG13 ILE 5 -9.993 1.023 1.401 35 HG13 ILE 5 HG12 ILE 5 -10.931 -0.463 1.529 36 HG21 ILE 5 HG21 ILE 5 -10.138 2.738 3.302 37 HG22 ILE 5 HG22 ILE 5 -11.668 2.808 4.176 38 HG23 ILE 5 HG23 ILE 5 -11.640 3.048 2.433 39 HD11 ILE 5 HD11 ILE 5 -12.894 0.583 0.655 40 HD12 ILE 5 HD12 ILE 5 -11.572 1.094 -0.392 41 HD13 ILE 5 HD13 ILE 5 -12.203 2.196 0.829 42 H SER 6 H SER 6 -12.194 -0.785 5.671 43 HA SER 6 HA SER 6 -12.405 1.410 7.520 44 HB2 SER 6 HB3 SER 6 -13.031 -1.517 8.004 45 HB3 SER 6 HB2 SER 6 -13.640 -0.151 8.933 46 HG SER 6 HG SER 6 -14.208 0.431 6.481 47 H LYS 7 H LYS 7 -10.433 -1.535 7.453 48 HA LYS 7 HA LYS 7 -9.341 -1.098 10.109 49 HB2 LYS 7 HB3 LYS 7 -8.185 -3.089 9.811 50 HB3 LYS 7 HB2 LYS 7 -9.509 -3.308 8.680 51 HG2 LYS 7 HG3 LYS 7 -7.791 -3.873 7.245 52 HG3 LYS 7 HG2 LYS 7 -7.722 -2.138 6.999 53 HD2 LYS 7 HD3 LYS 7 -5.477 -2.640 7.459 54 HD3 LYS 7 HD2 LYS 7 -6.063 -2.175 9.054 55 HE2 LYS 7 HE3 LYS 7 -4.928 -4.198 9.485 56 HE3 LYS 7 HE2 LYS 7 -6.598 -4.736 9.325 57 HZ1 LYS 7 HZ1 LYS 7 -6.082 -5.918 7.541 58 HZ2 LYS 7 HZ2 LYS 7 -4.447 -5.610 7.868 59 HZ3 LYS 7 HZ3 LYS 7 -5.301 -4.606 6.797 60 H ILE 8 H ILE 8 -8.422 -0.080 6.878 61 HA ILE 8 HA ILE 8 -5.717 0.651 7.395 62 HB ILE 8 HB ILE 8 -7.642 2.177 5.617 63 HG12 ILE 8 HG13 ILE 8 -7.755 -0.293 5.186 64 HG13 ILE 8 HG12 ILE 8 -7.153 0.634 3.824 65 HG21 ILE 8 HG21 ILE 8 -5.508 3.267 5.870 66 HG22 ILE 8 HG22 ILE 8 -5.569 2.532 4.269 67 HG23 ILE 8 HG23 ILE 8 -4.646 1.760 5.560 68 HD11 ILE 8 HD11 ILE 8 -5.473 -0.951 5.786 69 HD12 ILE 8 HD12 ILE 8 -4.833 0.013 4.456 70 HD13 ILE 8 HD13 ILE 8 -5.833 -1.397 4.124 71 H MET 9 H MET 9 -8.732 2.134 8.317 72 HA MET 9 HA MET 9 -7.850 4.777 8.858 73 HB2 MET 9 HB3 MET 9 -9.929 3.072 10.263 74 HB3 MET 9 HB2 MET 9 -9.723 4.802 10.538 75 HG2 MET 9 HG3 MET 9 -10.222 3.616 7.795 76 HG3 MET 9 HG2 MET 9 -11.517 4.190 8.845 77 HE1 MET 9 HE1 MET 9 -11.166 7.861 9.175 78 HE2 MET 9 HE2 MET 9 -11.489 6.334 10.008 79 HE3 MET 9 HE3 MET 9 -12.387 6.754 8.552 80 H GLU 10 H GLU 10 -6.758 1.904 10.176 81 HA GLU 10 HA GLU 10 -6.350 2.623 12.921 82 HB2 GLU 10 HB3 GLU 10 -4.735 0.785 12.942 83 HB3 GLU 10 HB2 GLU 10 -6.163 0.305 12.027 84 HG2 GLU 10 HG3 GLU 10 -4.919 1.054 9.925 85 HG3 GLU 10 HG2 GLU 10 -3.475 1.183 10.929 86 H ASN 11 H ASN 11 -4.910 3.732 10.031 87 HA ASN 11 HA ASN 11 -2.923 5.304 11.577 88 HB2 ASN 11 HB3 ASN 11 -2.247 3.425 9.296 89 HB3 ASN 11 HB2 ASN 11 -1.156 4.681 9.882 90 HD21 ASN 11 HD22 ASN 11 -1.672 4.468 12.691 91 HD22 ASN 11 HD21 ASN 11 -1.122 2.953 13.224 92 HA PRO 12 HA PRO 12 -5.314 7.877 8.515 93 HB2 PRO 12 HB2 PRO 12 -3.669 9.858 10.088 94 HB3 PRO 12 HB3 PRO 12 -5.346 10.002 9.513 95 HG2 PRO 12 HG3 PRO 12 -4.876 9.410 12.043 96 HG3 PRO 12 HG2 PRO 12 -6.166 8.569 11.159 97 HD2 PRO 12 HD3 PRO 12 -3.457 7.548 11.951 98 HD3 PRO 12 HD2 PRO 12 -4.997 6.666 11.825 99 H ASP 13 H ASP 13 -1.988 7.329 9.095 100 HA ASP 13 HA ASP 13 -0.881 9.069 7.061 101 HB2 ASP 13 HB3 ASP 13 0.431 8.094 8.968 102 HB3 ASP 13 HB2 ASP 13 0.286 6.511 8.203 103 H VAL 14 H VAL 14 -1.800 5.624 7.168 104 HA VAL 14 HA VAL 14 -1.102 5.188 4.358 105 HB VAL 14 HB VAL 14 -2.752 3.528 6.295 106 HG11 VAL 14 HG11 VAL 14 -2.225 1.680 4.690 107 HG12 VAL 14 HG12 VAL 14 -1.548 2.881 3.589 108 HG13 VAL 14 HG13 VAL 14 -3.259 2.924 3.999 109 HG21 VAL 14 HG21 VAL 14 -0.710 2.229 6.595 110 HG22 VAL 14 HG22 VAL 14 -0.371 3.921 6.961 111 HG23 VAL 14 HG23 VAL 14 0.138 3.233 5.418 112 H ALA 15 H ALA 15 -4.059 5.720 6.229 113 HA ALA 15 HA ALA 15 -5.925 5.403 4.118 114 HB1 ALA 15 HB1 ALA 15 -6.391 5.736 6.598 115 HB2 ALA 15 HB2 ALA 15 -7.437 6.642 5.504 116 HB3 ALA 15 HB3 ALA 15 -6.111 7.456 6.332 117 H MET 16 H MET 16 -3.874 8.107 5.064 118 HA MET 16 HA MET 16 -5.012 9.982 3.143 119 HB2 MET 16 HB3 MET 16 -3.797 10.647 5.248 120 HB3 MET 16 HB2 MET 16 -2.306 10.060 4.511 121 HG2 MET 16 HG3 MET 16 -2.524 11.664 2.688 122 HG3 MET 16 HG2 MET 16 -4.090 12.193 3.300 123 HE1 MET 16 HE1 MET 16 -0.418 12.698 3.203 124 HE2 MET 16 HE2 MET 16 -0.413 11.530 4.532 125 HE3 MET 16 HE3 MET 16 0.091 13.194 4.815 126 H ALA 17 H ALA 17 -2.329 7.711 3.272 127 HA ALA 17 HA ALA 17 -1.140 8.533 0.757 128 HB1 ALA 17 HB1 ALA 17 0.214 6.557 0.976 129 HB2 ALA 17 HB2 ALA 17 -0.941 5.813 2.082 130 HB3 ALA 17 HB3 ALA 17 0.009 7.204 2.603 131 H PHE 18 H PHE 18 -3.630 6.306 1.795 132 HA PHE 18 HA PHE 18 -3.927 4.796 -0.608 133 HB2 PHE 18 HB3 PHE 18 -5.585 5.477 1.767 134 HB3 PHE 18 HB2 PHE 18 -6.495 4.995 0.342 135 HD1 PHE 18 HD1 PHE 18 -3.109 3.794 1.400 136 HD2 PHE 18 HD2 PHE 18 -7.277 2.830 0.957 137 HE1 PHE 18 HE1 PHE 18 -2.621 1.420 1.912 138 HE2 PHE 18 HE2 PHE 18 -6.781 0.458 1.468 139 HZ PHE 18 HZ PHE 18 -4.453 -0.249 1.942 140 H GLN 19 H GLN 19 -4.647 8.103 0.135 141 HA GLN 19 HA GLN 19 -6.602 8.475 -2.010 142 HB2 GLN 19 HB3 GLN 19 -5.018 10.515 -0.419 143 HB3 GLN 19 HB2 GLN 19 -6.395 10.867 -1.463 144 HG2 GLN 19 HG3 GLN 19 -7.798 9.355 -0.053 145 HG3 GLN 19 HG2 GLN 19 -6.425 9.150 1.034 146 HE21 GLN 19 HE22 GLN 19 -5.391 11.698 1.284 147 HE22 GLN 19 HE21 GLN 19 -6.557 12.760 1.911 148 H ASN 20 H ASN 20 -3.599 7.569 -2.389 149 HA ASN 20 HA ASN 20 -2.857 9.591 -4.464 150 HB2 ASN 20 HB3 ASN 20 -1.300 7.568 -2.856 151 HB3 ASN 20 HB2 ASN 20 -0.644 8.162 -4.377 152 HD21 ASN 20 HD22 ASN 20 -2.464 9.825 -1.734 153 HD22 ASN 20 HD21 ASN 20 -1.295 11.032 -1.493 154 HA PRO 21 HA PRO 21 -4.266 6.568 -7.389 155 HB2 PRO 21 HB2 PRO 21 -2.949 7.354 -9.664 156 HB3 PRO 21 HB3 PRO 21 -4.298 8.276 -8.967 157 HG2 PRO 21 HG3 PRO 21 -1.352 8.735 -8.672 158 HG3 PRO 21 HG2 PRO 21 -2.644 9.910 -8.994 159 HD2 PRO 21 HD3 PRO 21 -1.612 9.558 -6.495 160 HD3 PRO 21 HD2 PRO 21 -3.321 9.982 -6.756 161 H ARG 22 H ARG 22 -0.727 7.131 -7.538 162 HA ARG 22 HA ARG 22 -0.087 4.605 -8.711 163 HB2 ARG 22 HB3 ARG 22 1.628 6.213 -6.792 164 HB3 ARG 22 HB2 ARG 22 2.190 5.035 -7.980 165 HG2 ARG 22 HG3 ARG 22 1.207 6.475 -9.786 166 HG3 ARG 22 HG2 ARG 22 0.834 7.685 -8.558 167 HD2 ARG 22 HD3 ARG 22 3.275 7.714 -7.945 168 HD3 ARG 22 HD2 ARG 22 3.580 6.661 -9.327 169 HE ARG 22 HE ARG 22 2.149 8.852 -10.340 170 HH11 ARG 22 HH22 ARG 22 5.095 8.228 -8.653 171 HH12 ARG 22 HH21 ARG 22 5.930 9.579 -9.344 172 HH21 ARG 22 HH11 ARG 22 3.225 10.617 -11.248 173 HH22 ARG 22 HH12 ARG 22 4.872 10.931 -10.812 174 H VAL 23 H VAL 23 -0.837 5.570 -5.446 175 HA VAL 23 HA VAL 23 0.161 3.151 -4.175 176 HB VAL 23 HB VAL 23 -1.805 5.264 -3.237 177 HG11 VAL 23 HG11 VAL 23 -0.471 2.969 -1.771 178 HG12 VAL 23 HG12 VAL 23 -2.200 3.274 -1.933 179 HG13 VAL 23 HG13 VAL 23 -1.206 4.345 -0.948 180 HG21 VAL 23 HG21 VAL 23 0.211 5.980 -1.884 181 HG22 VAL 23 HG22 VAL 23 0.397 6.187 -3.625 182 HG23 VAL 23 HG23 VAL 23 1.165 4.830 -2.821 183 H GLN 24 H GLN 24 -3.137 4.339 -4.958 184 HA GLN 24 HA GLN 24 -4.519 1.973 -4.213 185 HB2 GLN 24 HB3 GLN 24 -5.121 3.971 -6.420 186 HB3 GLN 24 HB2 GLN 24 -6.246 2.724 -5.883 187 HG2 GLN 24 HG3 GLN 24 -6.264 3.655 -3.627 188 HG3 GLN 24 HG2 GLN 24 -5.053 4.853 -4.085 189 HE21 GLN 24 HE22 GLN 24 -6.739 6.510 -3.460 190 HE22 GLN 24 HE21 GLN 24 -7.958 6.898 -4.576 191 H ALA 25 H ALA 25 -2.737 2.841 -7.110 192 HA ALA 25 HA ALA 25 -3.488 0.466 -8.621 193 HB1 ALA 25 HB1 ALA 25 -1.223 2.462 -8.946 194 HB2 ALA 25 HB2 ALA 25 -2.765 2.476 -9.803 195 HB3 ALA 25 HB3 ALA 25 -1.598 1.188 -10.106 196 H ALA 26 H ALA 26 -0.969 1.348 -6.342 197 HA ALA 26 HA ALA 26 0.773 -0.885 -6.906 198 HB1 ALA 26 HB1 ALA 26 0.475 0.629 -4.294 199 HB2 ALA 26 HB2 ALA 26 1.451 1.190 -5.651 200 HB3 ALA 26 HB3 ALA 26 1.873 -0.308 -4.823 201 H LEU 27 H LEU 27 -1.755 -0.321 -4.442 202 HA LEU 27 HA LEU 27 -1.543 -3.001 -3.347 203 HB2 LEU 27 HB3 LEU 27 -3.515 -0.732 -3.081 204 HB3 LEU 27 HB2 LEU 27 -3.924 -2.321 -2.436 205 HG LEU 27 HG LEU 27 -1.874 -2.310 -1.074 206 HD11 LEU 27 HD11 LEU 27 -0.614 -0.103 -0.922 207 HD12 LEU 27 HD12 LEU 27 -1.455 0.386 -2.393 208 HD13 LEU 27 HD13 LEU 27 -0.371 -1.004 -2.416 209 HD21 LEU 27 HD21 LEU 27 -3.493 0.240 -0.776 210 HD22 LEU 27 HD22 LEU 27 -2.550 -0.541 0.494 211 HD23 LEU 27 HD23 LEU 27 -3.974 -1.344 -0.169 212 H MET 28 H MET 28 -3.790 -1.413 -5.628 213 HA MET 28 HA MET 28 -5.459 -3.677 -6.077 214 HB2 MET 28 HB3 MET 28 -5.941 -1.345 -6.876 215 HB3 MET 28 HB2 MET 28 -4.690 -1.551 -8.102 216 HG2 MET 28 HG3 MET 28 -5.899 -3.413 -9.095 217 HG3 MET 28 HG2 MET 28 -7.101 -3.365 -7.805 218 HE1 MET 28 HE1 MET 28 -7.276 -3.151 -11.104 219 HE2 MET 28 HE2 MET 28 -8.701 -2.113 -11.246 220 HE3 MET 28 HE3 MET 28 -8.672 -3.418 -10.063 221 H GLU 29 H GLU 29 -2.411 -2.661 -7.587 222 HA GLU 29 HA GLU 29 -2.373 -4.865 -9.483 223 HB2 GLU 29 HB3 GLU 29 -1.123 -2.735 -9.841 224 HB3 GLU 29 HB2 GLU 29 -0.072 -3.155 -8.487 225 HG2 GLU 29 HG3 GLU 29 0.711 -5.143 -9.636 226 HG3 GLU 29 HG2 GLU 29 -0.453 -4.898 -10.938 227 H CYS 30 H CYS 30 -1.451 -4.436 -6.144 228 HA CYS 30 HA CYS 30 0.502 -6.477 -5.884 229 HB2 CYS 30 HB3 CYS 30 -0.235 -4.872 -4.072 230 HB3 CYS 30 HB2 CYS 30 -1.664 -5.881 -3.849 231 HG CYS 30 HG CYS 30 0.786 -7.616 -3.696 232 H SER 31 H SER 31 -3.029 -6.704 -6.035 233 HA SER 31 HA SER 31 -3.415 -9.344 -5.259 234 HB2 SER 31 HB3 SER 31 -4.776 -7.913 -7.554 235 HB3 SER 31 HB2 SER 31 -5.389 -9.346 -6.733 236 HG SER 31 HG SER 31 -6.306 -7.879 -5.514 237 H GLU 32 H GLU 32 -1.942 -8.096 -8.165 238 HA GLU 32 HA GLU 32 -2.093 -10.506 -9.740 239 HB2 GLU 32 HB3 GLU 32 -0.055 -8.257 -9.817 240 HB3 GLU 32 HB2 GLU 32 -0.277 -9.475 -11.072 241 HG2 GLU 32 HG3 GLU 32 -2.470 -7.594 -10.146 242 HG3 GLU 32 HG2 GLU 32 -1.446 -7.290 -11.549 243 H ASN 33 H ASN 33 0.601 -9.094 -7.862 244 HA ASN 33 HA ASN 33 1.422 -11.480 -6.605 245 HB2 ASN 33 HB3 ASN 33 2.258 -11.208 -9.437 246 HB3 ASN 33 HB2 ASN 33 3.608 -11.504 -8.352 247 HD21 ASN 33 HD22 ASN 33 2.352 -13.335 -10.382 248 HD22 ASN 33 HD21 ASN 33 1.908 -14.726 -9.517 249 HA PRO 34 HA PRO 34 4.092 -8.653 -4.512 250 HB2 PRO 34 HB2 PRO 34 6.548 -10.055 -4.496 251 HB3 PRO 34 HB3 PRO 34 5.251 -10.224 -3.297 252 HG2 PRO 34 HG3 PRO 34 5.861 -11.922 -5.674 253 HG3 PRO 34 HG2 PRO 34 5.285 -12.398 -4.064 254 HD2 PRO 34 HD3 PRO 34 3.596 -12.334 -6.151 255 HD3 PRO 34 HD2 PRO 34 3.057 -11.802 -4.543 256 H MET 35 H MET 35 4.644 -9.606 -7.716 257 HA MET 35 HA MET 35 7.079 -8.170 -8.274 258 HB2 MET 35 HB3 MET 35 6.364 -8.340 -10.641 259 HB3 MET 35 HB2 MET 35 6.210 -9.885 -9.807 260 HG2 MET 35 HG3 MET 35 3.782 -9.314 -9.383 261 HG3 MET 35 HG2 MET 35 3.991 -7.922 -10.445 262 HE1 MET 35 HE1 MET 35 3.693 -7.926 -12.828 263 HE2 MET 35 HE2 MET 35 4.284 -9.188 -13.916 264 HE3 MET 35 HE3 MET 35 5.401 -8.358 -12.837 265 H ASN 36 H ASN 36 4.024 -7.094 -7.384 266 HA ASN 36 HA ASN 36 3.667 -4.792 -9.009 267 HB2 ASN 36 HB3 ASN 36 2.424 -3.880 -6.974 268 HB3 ASN 36 HB2 ASN 36 1.872 -5.451 -7.554 269 HD21 ASN 36 HD22 ASN 36 2.191 -4.027 -4.720 270 HD22 ASN 36 HD21 ASN 36 2.833 -5.277 -3.769 271 H ILE 37 H ILE 37 5.067 -4.971 -5.732 272 HA ILE 37 HA ILE 37 6.057 -2.302 -5.778 273 HB ILE 37 HB ILE 37 5.659 -3.882 -3.767 274 HG12 ILE 37 HG13 ILE 37 7.520 -2.781 -2.454 275 HG13 ILE 37 HG12 ILE 37 8.155 -2.168 -3.978 276 HG21 ILE 37 HG21 ILE 37 7.446 -5.285 -3.047 277 HG22 ILE 37 HG22 ILE 37 8.545 -4.643 -4.267 278 HG23 ILE 37 HG23 ILE 37 7.193 -5.669 -4.749 279 HD11 ILE 37 HD11 ILE 37 6.479 -0.611 -4.203 280 HD12 ILE 37 HD12 ILE 37 6.424 -0.765 -2.453 281 HD13 ILE 37 HD13 ILE 37 5.259 -1.635 -3.446 282 H MET 38 H MET 38 7.389 -5.309 -6.969 283 HA MET 38 HA MET 38 10.126 -4.563 -7.156 284 HB2 MET 38 HB3 MET 38 8.442 -6.322 -8.965 285 HB3 MET 38 HB2 MET 38 10.198 -6.202 -9.065 286 HG2 MET 38 HG3 MET 38 10.324 -6.896 -6.656 287 HG3 MET 38 HG2 MET 38 8.581 -7.163 -6.688 288 HE1 MET 38 HE1 MET 38 10.385 -10.669 -6.639 289 HE2 MET 38 HE2 MET 38 9.745 -9.341 -5.661 290 HE3 MET 38 HE3 MET 38 11.384 -9.257 -6.303 291 H LYS 39 H LYS 39 7.345 -3.422 -8.828 292 HA LYS 39 HA LYS 39 8.959 -2.209 -11.023 293 HB2 LYS 39 HB3 LYS 39 5.967 -2.290 -10.526 294 HB3 LYS 39 HB2 LYS 39 6.737 -1.547 -11.929 295 HG2 LYS 39 HG3 LYS 39 7.816 -3.811 -12.388 296 HG3 LYS 39 HG2 LYS 39 6.751 -4.476 -11.150 297 HD2 LYS 39 HD3 LYS 39 5.868 -3.035 -13.671 298 HD3 LYS 39 HD2 LYS 39 5.761 -4.770 -13.381 299 HE2 LYS 39 HE3 LYS 39 3.593 -4.043 -12.837 300 HE3 LYS 39 HE2 LYS 39 4.376 -4.063 -11.256 301 HZ1 LYS 39 HZ1 LYS 39 3.130 -1.931 -12.403 302 HZ2 LYS 39 HZ2 LYS 39 4.773 -1.598 -12.658 303 HZ3 LYS 39 HZ3 LYS 39 4.198 -1.868 -11.083 304 H TYR 40 H TYR 40 6.681 -1.252 -8.431 305 HA TYR 40 HA TYR 40 7.147 1.581 -8.835 306 HB2 TYR 40 HB3 TYR 40 6.011 0.161 -6.407 307 HB3 TYR 40 HB2 TYR 40 5.819 1.857 -6.826 308 HD1 TYR 40 HD1 TYR 40 4.900 2.324 -9.247 309 HD2 TYR 40 HD2 TYR 40 4.282 -1.320 -7.058 310 HE1 TYR 40 HE1 TYR 40 2.934 1.812 -10.662 311 HE2 TYR 40 HE2 TYR 40 2.317 -1.834 -8.474 312 HH TYR 40 HH TYR 40 1.642 -1.039 -11.050 313 H GLN 41 H GLN 41 9.191 -0.738 -7.804 314 HA GLN 41 HA GLN 41 10.298 0.082 -5.364 315 HB2 GLN 41 HB3 GLN 41 12.479 -0.776 -6.288 316 HB3 GLN 41 HB2 GLN 41 11.130 -1.895 -6.484 317 HG2 GLN 41 HG3 GLN 41 10.811 -1.105 -8.803 318 HG3 GLN 41 HG2 GLN 41 12.168 0.003 -8.611 319 HE21 GLN 41 HE22 GLN 41 12.425 -1.870 -10.629 320 HE22 GLN 41 HE21 GLN 41 13.529 -3.080 -10.183 321 H ASN 42 H ASN 42 10.408 1.643 -8.476 322 HA ASN 42 HA ASN 42 12.537 3.520 -7.694 323 HB2 ASN 42 HB3 ASN 42 12.234 2.794 -10.065 324 HB3 ASN 42 HB2 ASN 42 10.656 3.583 -10.077 325 HD21 ASN 42 HD22 ASN 42 13.894 4.591 -8.820 326 HD22 ASN 42 HD21 ASN 42 13.902 6.082 -9.631 327 H ASP 43 H ASP 43 9.051 3.301 -7.617 328 HA ASP 43 HA ASP 43 8.649 6.181 -7.237 329 HB2 ASP 43 HB3 ASP 43 6.963 4.483 -8.220 330 HB3 ASP 43 HB2 ASP 43 6.672 3.992 -6.555 331 H LYS 44 H LYS 44 10.021 6.616 -5.400 332 HA LYS 44 HA LYS 44 10.140 5.243 -2.996 333 HB2 LYS 44 HB3 LYS 44 10.307 8.204 -3.575 334 HB3 LYS 44 HB2 LYS 44 10.602 7.546 -1.964 335 HG2 LYS 44 HG3 LYS 44 12.465 6.250 -2.727 336 HG3 LYS 44 HG2 LYS 44 12.060 6.533 -4.418 337 HD2 LYS 44 HD3 LYS 44 13.968 7.941 -3.662 338 HD3 LYS 44 HD2 LYS 44 12.593 8.907 -4.195 339 HE2 LYS 44 HE3 LYS 44 13.741 9.587 -1.971 340 HE3 LYS 44 HE2 LYS 44 11.982 9.475 -1.974 341 HZ1 LYS 44 HZ1 LYS 44 13.438 7.035 -1.346 342 HZ2 LYS 44 HZ2 LYS 44 12.003 7.646 -0.680 343 HZ3 LYS 44 HZ3 LYS 44 13.502 8.268 -0.179 344 H GLU 45 H GLU 45 7.577 7.331 -4.171 345 HA GLU 45 HA GLU 45 6.240 7.781 -1.692 346 HB2 GLU 45 HB3 GLU 45 5.740 8.904 -3.918 347 HB3 GLU 45 HB2 GLU 45 4.910 7.425 -4.396 348 HG2 GLU 45 HG3 GLU 45 3.231 8.914 -3.530 349 HG3 GLU 45 HG2 GLU 45 3.483 7.671 -2.306 350 H VAL 46 H VAL 46 5.733 5.239 -4.157 351 HA VAL 46 HA VAL 46 3.752 3.818 -2.652 352 HB VAL 46 HB VAL 46 5.665 2.771 -4.754 353 HG11 VAL 46 HG11 VAL 46 4.629 0.929 -3.583 354 HG12 VAL 46 HG12 VAL 46 3.794 1.110 -5.123 355 HG13 VAL 46 HG13 VAL 46 3.051 1.714 -3.642 356 HG21 VAL 46 HG21 VAL 46 2.832 3.813 -5.060 357 HG22 VAL 46 HG22 VAL 46 3.901 3.274 -6.354 358 HG23 VAL 46 HG23 VAL 46 4.275 4.745 -5.457 359 H MET 47 H MET 47 7.293 3.456 -2.900 360 HA MET 47 HA MET 47 7.503 1.078 -1.344 361 HB2 MET 47 HB3 MET 47 9.430 3.391 -1.699 362 HB3 MET 47 HB2 MET 47 9.849 1.906 -0.849 363 HG2 MET 47 HG3 MET 47 8.790 1.923 -3.686 364 HG3 MET 47 HG2 MET 47 10.511 1.975 -3.307 365 HE1 MET 47 HE1 MET 47 11.910 0.036 -3.076 366 HE2 MET 47 HE2 MET 47 11.501 -1.373 -2.087 367 HE3 MET 47 HE3 MET 47 11.488 0.240 -1.378 368 H ASP 48 H ASP 48 7.492 4.492 -0.373 369 HA ASP 48 HA ASP 48 7.999 4.140 2.390 370 HB2 ASP 48 HB3 ASP 48 6.289 6.142 0.890 371 HB3 ASP 48 HB2 ASP 48 6.616 6.274 2.619 372 H VAL 49 H VAL 49 4.850 4.353 0.746 373 HA VAL 49 HA VAL 49 3.329 3.750 3.112 374 HB VAL 49 HB VAL 49 2.418 5.040 1.246 375 HG11 VAL 49 HG11 VAL 49 1.953 4.062 -0.885 376 HG12 VAL 49 HG12 VAL 49 2.517 2.487 -0.351 377 HG13 VAL 49 HG13 VAL 49 3.648 3.825 -0.509 378 HG21 VAL 49 HG21 VAL 49 0.892 3.658 2.696 379 HG22 VAL 49 HG22 VAL 49 0.939 2.407 1.454 380 HG23 VAL 49 HG23 VAL 49 0.254 3.989 1.086 381 H PHE 50 H PHE 50 4.333 1.727 0.334 382 HA PHE 50 HA PHE 50 2.920 -0.591 1.272 383 HB2 PHE 50 HB3 PHE 50 4.244 0.085 -1.072 384 HB3 PHE 50 HB2 PHE 50 5.299 -1.148 -0.394 385 HD1 PHE 50 HD2 PHE 50 3.643 -3.050 0.909 386 HD2 PHE 50 HD1 PHE 50 2.781 -0.836 -2.671 387 HE1 PHE 50 HE2 PHE 50 2.034 -4.796 0.217 388 HE2 PHE 50 HE1 PHE 50 1.171 -2.583 -3.361 389 HZ PHE 50 HZ PHE 50 0.797 -4.567 -1.920 390 H ASN 51 H ASN 51 6.171 0.667 1.825 391 HA ASN 51 HA ASN 51 7.167 -1.703 3.157 392 HB2 ASN 51 HB3 ASN 51 8.067 1.195 3.257 393 HB3 ASN 51 HB2 ASN 51 8.930 -0.133 4.028 394 HD21 ASN 51 HD22 ASN 51 7.672 -1.599 1.376 395 HD22 ASN 51 HD21 ASN 51 8.922 -1.330 0.260 396 H LYS 52 H LYS 52 5.212 1.032 4.051 397 HA LYS 52 HA LYS 52 5.587 0.683 6.928 398 HB2 LYS 52 HB3 LYS 52 4.845 2.847 5.865 399 HB3 LYS 52 HB2 LYS 52 3.312 2.071 5.467 400 HG2 LYS 52 HG3 LYS 52 2.983 1.569 7.888 401 HG3 LYS 52 HG2 LYS 52 4.459 2.462 8.242 402 HD2 LYS 52 HD3 LYS 52 2.011 3.614 6.869 403 HD3 LYS 52 HD2 LYS 52 2.428 3.859 8.563 404 HE2 LYS 52 HE3 LYS 52 3.335 5.787 7.609 405 HE3 LYS 52 HE2 LYS 52 4.733 4.716 7.538 406 HZ1 LYS 52 HZ1 LYS 52 3.410 4.127 5.260 407 HZ2 LYS 52 HZ2 LYS 52 4.718 5.201 5.374 408 HZ3 LYS 52 HZ3 LYS 52 3.126 5.795 5.407 409 H ILE 53 H ILE 53 3.291 -0.201 4.464 410 HA ILE 53 HA ILE 53 1.304 -1.459 6.011 411 HB ILE 53 HB ILE 53 2.204 -1.362 3.225 412 HG12 ILE 53 HG13 ILE 53 -0.164 -1.252 2.757 413 HG13 ILE 53 HG12 ILE 53 -0.545 -1.809 4.382 414 HG21 ILE 53 HG21 ILE 53 0.903 -3.913 4.181 415 HG22 ILE 53 HG22 ILE 53 2.452 -3.748 3.347 416 HG23 ILE 53 HG23 ILE 53 0.951 -3.398 2.496 417 HD11 ILE 53 HD11 ILE 53 1.182 0.554 4.427 418 HD12 ILE 53 HD12 ILE 53 -0.363 0.273 5.227 419 HD13 ILE 53 HD13 ILE 53 -0.321 0.842 3.561 420 H SER 54 H SER 54 4.432 -2.581 4.917 421 HA SER 54 HA SER 54 3.952 -5.343 5.778 422 HB2 SER 54 HB3 SER 54 5.460 -4.647 3.868 423 HB3 SER 54 HB2 SER 54 6.596 -4.050 5.073 424 HG SER 54 HG SER 54 5.697 -6.690 4.604 425 H GLN 55 H GLN 55 5.616 -2.516 7.109 426 HA GLN 55 HA GLN 55 6.778 -4.088 9.313 427 HB2 GLN 55 HB3 GLN 55 6.692 -1.100 8.809 428 HB3 GLN 55 HB2 GLN 55 7.612 -1.883 10.094 429 HG2 GLN 55 HG3 GLN 55 7.964 -2.539 7.154 430 HG3 GLN 55 HG2 GLN 55 8.954 -1.358 8.011 431 HE21 GLN 55 HE22 GLN 55 9.333 -4.335 6.905 432 HE22 GLN 55 HE21 GLN 55 10.195 -5.068 8.170 433 H LEU 56 H LEU 56 4.276 -1.580 8.998 434 HA LEU 56 HA LEU 56 3.605 -1.631 11.816 435 HB2 LEU 56 HB3 LEU 56 2.271 -0.505 9.351 436 HB3 LEU 56 HB2 LEU 56 1.489 -0.414 10.925 437 HG LEU 56 HG LEU 56 2.840 1.634 10.288 438 HD11 LEU 56 HD11 LEU 56 3.537 2.052 12.472 439 HD12 LEU 56 HD12 LEU 56 4.097 0.405 12.736 440 HD13 LEU 56 HD13 LEU 56 2.370 0.758 12.721 441 HD21 LEU 56 HD21 LEU 56 5.254 -0.117 10.839 442 HD22 LEU 56 HD22 LEU 56 5.237 1.553 10.281 443 HD23 LEU 56 HD23 LEU 56 4.698 0.263 9.209 444 H PHE 57 H PHE 57 3.273 -4.014 9.644 445 HA PHE 57 HA PHE 57 0.790 -5.092 10.942 446 HB2 PHE 57 HB3 PHE 57 1.616 -5.364 8.039 447 HB3 PHE 57 HB2 PHE 57 0.235 -6.157 8.778 448 HD1 PHE 57 HD1 PHE 57 1.688 -2.676 8.392 449 HD2 PHE 57 HD2 PHE 57 -1.859 -5.106 8.617 450 HE1 PHE 57 HE1 PHE 57 0.286 -0.677 8.008 451 HE2 PHE 57 HE2 PHE 57 -3.245 -3.099 8.212 452 HZ PHE 57 HZ PHE 57 -2.179 -0.887 7.913 453 HA PRO 58 HA PRO 58 4.704 -7.725 11.574 454 HB2 PRO 58 HB2 PRO 58 2.815 -8.401 13.827 455 HB3 PRO 58 HB3 PRO 58 4.590 -8.295 13.848 456 HG2 PRO 58 HG3 PRO 58 3.122 -6.311 14.812 457 HG3 PRO 58 HG2 PRO 58 4.581 -5.974 13.858 458 HD2 PRO 58 HD3 PRO 58 1.710 -5.672 13.064 459 HD3 PRO 58 HD2 PRO 58 3.136 -4.767 12.510 460 H GLY 59 H GLY 59 4.792 -9.641 10.472 461 HA2 GLY 59 HA3 GLY 59 4.129 -11.694 9.549 462 HA3 GLY 59 HA2 GLY 59 2.942 -11.792 10.851 463 H MET 60 H MET 60 3.015 -9.095 8.610 464 HA MET 60 HA MET 60 1.359 -8.312 7.142 465 HB2 MET 60 HB3 MET 60 1.006 -11.260 6.522 466 HB3 MET 60 HB2 MET 60 0.625 -9.898 5.468 467 HG2 MET 60 HG3 MET 60 3.031 -9.258 5.473 468 HG3 MET 60 HG2 MET 60 3.385 -10.685 6.446 469 HE1 MET 60 HE1 MET 60 4.618 -11.130 2.645 470 HE2 MET 60 HE2 MET 60 5.164 -10.908 4.313 471 HE3 MET 60 HE3 MET 60 4.346 -9.596 3.468 472 H THR 61 H THR 61 -1.052 -9.769 6.356 473 HA THR 61 HA THR 61 -2.526 -10.468 8.768 474 HB THR 61 HB THR 61 -3.226 -7.850 7.403 475 HG1 THR 61 HG1 THR 61 -1.800 -8.485 9.742 476 HG21 THR 61 HG21 THR 61 -4.757 -7.640 9.375 477 HG22 THR 61 HG22 THR 61 -4.333 -9.291 9.827 478 HG23 THR 61 HG23 THR 61 -5.173 -8.981 8.308 479 H GLY 62 H GLY 62 -2.985 -12.298 7.391 480 HA2 GLY 62 HA3 GLY 62 -4.206 -12.026 4.799 481 HA3 GLY 62 HA2 GLY 62 -4.227 -13.486 5.789 Start of MODEL 15 1 H2 PRO 1 H2 PRO 1 -15.592 -2.097 1.165 2 H3 PRO 1 H3 PRO 1 -15.531 -3.654 0.477 3 HA PRO 1 HA PRO 1 -13.809 -4.086 1.795 4 HB2 PRO 1 HB2 PRO 1 -11.717 -2.466 0.998 5 HB3 PRO 1 HB3 PRO 1 -12.277 -3.866 0.061 6 HG2 PRO 1 HG3 PRO 1 -12.800 -0.969 -0.385 7 HG3 PRO 1 HG2 PRO 1 -12.628 -2.281 -1.568 8 HD2 PRO 1 HD3 PRO 1 -15.066 -1.220 -0.783 9 HD3 PRO 1 HD2 PRO 1 -14.861 -2.841 -1.457 10 H GLU 2 H GLU 2 -15.619 -1.730 2.565 11 HA GLU 2 HA GLU 2 -14.135 0.286 3.888 12 HB2 GLU 2 HB3 GLU 2 -16.790 -0.974 4.632 13 HB3 GLU 2 HB2 GLU 2 -16.145 0.483 5.385 14 HG2 GLU 2 HG3 GLU 2 -17.654 1.181 3.634 15 HG3 GLU 2 HG2 GLU 2 -16.013 1.518 3.084 16 H GLU 3 H GLU 3 -14.703 -3.048 4.737 17 HA GLU 3 HA GLU 3 -14.078 -2.864 7.532 18 HB2 GLU 3 HB3 GLU 3 -13.483 -5.267 5.787 19 HB3 GLU 3 HB2 GLU 3 -13.941 -5.240 7.493 20 HG2 GLU 3 HG3 GLU 3 -16.147 -4.225 6.789 21 HG3 GLU 3 HG2 GLU 3 -15.677 -4.532 5.117 22 H VAL 4 H VAL 4 -12.016 -3.992 4.818 23 HA VAL 4 HA VAL 4 -9.608 -4.060 6.325 24 HB VAL 4 HB VAL 4 -9.997 -3.480 3.371 25 HG11 VAL 4 HG11 VAL 4 -7.758 -2.832 4.009 26 HG12 VAL 4 HG12 VAL 4 -7.642 -4.411 3.236 27 HG13 VAL 4 HG13 VAL 4 -7.561 -4.282 4.993 28 HG21 VAL 4 HG21 VAL 4 -9.447 -6.050 4.885 29 HG22 VAL 4 HG22 VAL 4 -9.569 -5.898 3.132 30 HG23 VAL 4 HG23 VAL 4 -10.985 -5.607 4.143 31 H ILE 5 H ILE 5 -10.896 -1.473 4.219 32 HA ILE 5 HA ILE 5 -8.910 0.454 4.647 33 HB ILE 5 HB ILE 5 -11.897 0.889 4.410 34 HG12 ILE 5 HG13 ILE 5 -9.730 1.028 2.287 35 HG13 ILE 5 HG12 ILE 5 -10.727 -0.399 2.558 36 HG21 ILE 5 HG21 ILE 5 -11.117 3.149 3.522 37 HG22 ILE 5 HG22 ILE 5 -9.523 2.760 4.165 38 HG23 ILE 5 HG23 ILE 5 -10.902 2.910 5.254 39 HD11 ILE 5 HD11 ILE 5 -12.743 0.824 2.023 40 HD12 ILE 5 HD12 ILE 5 -11.580 1.108 0.730 41 HD13 ILE 5 HD13 ILE 5 -11.859 2.347 1.952 42 H SER 6 H SER 6 -11.367 -0.732 6.832 43 HA SER 6 HA SER 6 -11.229 1.485 8.695 44 HB2 SER 6 HB3 SER 6 -13.029 -0.378 8.554 45 HB3 SER 6 HB2 SER 6 -11.903 -1.354 9.490 46 HG SER 6 HG SER 6 -13.434 -0.101 10.744 47 H LYS 7 H LYS 7 -9.447 -1.560 8.325 48 HA LYS 7 HA LYS 7 -8.005 -1.233 10.831 49 HB2 LYS 7 HB3 LYS 7 -6.959 -3.254 10.342 50 HB3 LYS 7 HB2 LYS 7 -8.448 -3.405 9.429 51 HG2 LYS 7 HG3 LYS 7 -7.030 -3.990 7.714 52 HG3 LYS 7 HG2 LYS 7 -6.859 -2.257 7.519 53 HD2 LYS 7 HD3 LYS 7 -4.642 -3.191 7.574 54 HD3 LYS 7 HD2 LYS 7 -4.887 -2.346 9.096 55 HE2 LYS 7 HE3 LYS 7 -5.672 -5.216 9.145 56 HE3 LYS 7 HE2 LYS 7 -3.950 -4.917 8.922 57 HZ1 LYS 7 HZ1 LYS 7 -3.764 -4.366 11.036 58 HZ2 LYS 7 HZ2 LYS 7 -5.391 -4.782 11.279 59 HZ3 LYS 7 HZ3 LYS 7 -4.974 -3.181 10.895 60 H ILE 8 H ILE 8 -7.461 -0.173 7.535 61 HA ILE 8 HA ILE 8 -4.688 0.456 7.709 62 HB ILE 8 HB ILE 8 -6.763 2.093 6.223 63 HG12 ILE 8 HG13 ILE 8 -7.124 -0.310 5.765 64 HG13 ILE 8 HG12 ILE 8 -6.527 0.533 4.347 65 HG21 ILE 8 HG21 ILE 8 -4.532 3.044 6.203 66 HG22 ILE 8 HG22 ILE 8 -4.887 2.378 4.609 67 HG23 ILE 8 HG23 ILE 8 -3.837 1.497 5.719 68 HD11 ILE 8 HD11 ILE 8 -5.342 -1.542 4.498 69 HD12 ILE 8 HD12 ILE 8 -4.992 -1.293 6.203 70 HD13 ILE 8 HD13 ILE 8 -4.208 -0.289 4.987 71 H MET 9 H MET 9 -7.526 2.044 8.990 72 HA MET 9 HA MET 9 -6.481 4.637 9.468 73 HB2 MET 9 HB3 MET 9 -8.457 2.995 11.080 74 HB3 MET 9 HB2 MET 9 -8.154 4.712 11.342 75 HG2 MET 9 HG3 MET 9 -8.875 5.231 9.073 76 HG3 MET 9 HG2 MET 9 -9.065 3.516 8.710 77 HE1 MET 9 HE1 MET 9 -11.146 4.920 7.846 78 HE2 MET 9 HE2 MET 9 -11.345 6.309 8.924 79 HE3 MET 9 HE3 MET 9 -12.625 5.107 8.786 80 H GLU 10 H GLU 10 -5.368 1.702 10.624 81 HA GLU 10 HA GLU 10 -4.636 2.330 13.314 82 HB2 GLU 10 HB3 GLU 10 -3.041 0.483 13.089 83 HB3 GLU 10 HB2 GLU 10 -4.574 0.044 12.336 84 HG2 GLU 10 HG3 GLU 10 -3.590 0.835 10.123 85 HG3 GLU 10 HG2 GLU 10 -2.033 0.949 10.946 86 H ASN 11 H ASN 11 -3.560 3.591 10.355 87 HA ASN 11 HA ASN 11 -1.391 5.080 11.710 88 HB2 ASN 11 HB3 ASN 11 -0.977 3.266 9.316 89 HB3 ASN 11 HB2 ASN 11 0.174 4.512 9.801 90 HD21 ASN 11 HD22 ASN 11 0.054 4.250 12.625 91 HD22 ASN 11 HD21 ASN 11 0.636 2.716 13.062 92 HA PRO 12 HA PRO 12 -4.123 7.727 9.006 93 HB2 PRO 12 HB2 PRO 12 -2.334 9.666 10.473 94 HB3 PRO 12 HB3 PRO 12 -4.061 9.818 10.075 95 HG2 PRO 12 HG3 PRO 12 -3.336 9.140 12.521 96 HG3 PRO 12 HG2 PRO 12 -4.706 8.322 11.742 97 HD2 PRO 12 HD3 PRO 12 -1.928 7.292 12.225 98 HD3 PRO 12 HD2 PRO 12 -3.470 6.403 12.214 99 H ASP 13 H ASP 13 -0.746 7.210 9.227 100 HA ASP 13 HA ASP 13 0.124 9.020 7.139 101 HB2 ASP 13 HB3 ASP 13 1.638 8.013 8.870 102 HB3 ASP 13 HB2 ASP 13 1.426 6.448 8.085 103 H VAL 14 H VAL 14 -0.789 5.578 7.253 104 HA VAL 14 HA VAL 14 -0.353 5.191 4.385 105 HB VAL 14 HB VAL 14 -1.850 3.517 6.429 106 HG11 VAL 14 HG11 VAL 14 -0.936 2.953 3.595 107 HG12 VAL 14 HG12 VAL 14 -2.582 2.906 4.223 108 HG13 VAL 14 HG13 VAL 14 -1.415 1.687 4.727 109 HG21 VAL 14 HG21 VAL 14 0.187 2.211 6.583 110 HG22 VAL 14 HG22 VAL 14 0.603 3.900 6.873 111 HG23 VAL 14 HG23 VAL 14 0.948 3.162 5.308 112 H ALA 15 H ALA 15 -3.087 5.820 6.520 113 HA ALA 15 HA ALA 15 -5.163 5.520 4.596 114 HB1 ALA 15 HB1 ALA 15 -6.513 6.788 6.126 115 HB2 ALA 15 HB2 ALA 15 -5.090 7.540 6.849 116 HB3 ALA 15 HB3 ALA 15 -5.406 5.823 7.101 117 H MET 16 H MET 16 -3.014 8.216 5.377 118 HA MET 16 HA MET 16 -4.316 10.087 3.553 119 HB2 MET 16 HB3 MET 16 -1.660 10.064 5.012 120 HB3 MET 16 HB2 MET 16 -2.109 11.362 3.906 121 HG2 MET 16 HG3 MET 16 -3.862 10.520 6.229 122 HG3 MET 16 HG2 MET 16 -2.643 11.787 6.363 123 HE1 MET 16 HE1 MET 16 -3.917 13.842 6.833 124 HE2 MET 16 HE2 MET 16 -5.222 12.710 7.212 125 HE3 MET 16 HE3 MET 16 -5.552 14.151 6.254 126 H ALA 17 H ALA 17 -1.628 7.816 3.463 127 HA ALA 17 HA ALA 17 -0.643 8.624 0.863 128 HB1 ALA 17 HB1 ALA 17 0.698 6.637 0.961 129 HB2 ALA 17 HB2 ALA 17 -0.396 5.873 2.115 130 HB3 ALA 17 HB3 ALA 17 0.603 7.237 2.616 131 H PHE 18 H PHE 18 -3.049 6.372 2.070 132 HA PHE 18 HA PHE 18 -3.597 4.910 -0.300 133 HB2 PHE 18 HB3 PHE 18 -5.031 5.620 2.207 134 HB3 PHE 18 HB2 PHE 18 -6.079 5.194 0.862 135 HD1 PHE 18 HD1 PHE 18 -2.663 3.857 1.620 136 HD2 PHE 18 HD2 PHE 18 -6.885 3.047 1.506 137 HE1 PHE 18 HE1 PHE 18 -2.220 1.461 2.058 138 HE2 PHE 18 HE2 PHE 18 -6.435 0.653 1.945 139 HZ PHE 18 HZ PHE 18 -4.103 -0.144 2.217 140 H GLN 19 H GLN 19 -4.170 8.229 0.502 141 HA GLN 19 HA GLN 19 -6.216 8.631 -1.581 142 HB2 GLN 19 HB3 GLN 19 -4.688 10.650 0.092 143 HB3 GLN 19 HB2 GLN 19 -6.101 10.990 -0.905 144 HG2 GLN 19 HG3 GLN 19 -6.091 9.013 1.395 145 HG3 GLN 19 HG2 GLN 19 -6.639 10.683 1.533 146 HE21 GLN 19 HE22 GLN 19 -7.924 7.703 1.275 147 HE22 GLN 19 HE21 GLN 19 -9.294 8.031 0.327 148 H ASN 20 H ASN 20 -3.307 7.731 -2.124 149 HA ASN 20 HA ASN 20 -2.539 9.917 -4.021 150 HB2 ASN 20 HB3 ASN 20 -0.928 7.685 -2.746 151 HB3 ASN 20 HB2 ASN 20 -0.310 8.691 -4.052 152 HD21 ASN 20 HD22 ASN 20 -2.475 10.360 -1.942 153 HD22 ASN 20 HD21 ASN 20 -1.302 11.184 -1.034 154 HA PRO 21 HA PRO 21 -3.898 7.088 -7.166 155 HB2 PRO 21 HB2 PRO 21 -2.528 8.022 -9.358 156 HB3 PRO 21 HB3 PRO 21 -3.912 8.878 -8.647 157 HG2 PRO 21 HG3 PRO 21 -0.988 9.378 -8.262 158 HG3 PRO 21 HG2 PRO 21 -2.300 10.543 -8.518 159 HD2 PRO 21 HD3 PRO 21 -1.281 10.030 -6.037 160 HD3 PRO 21 HD2 PRO 21 -2.990 10.458 -6.288 161 H ARG 22 H ARG 22 -0.358 7.675 -7.172 162 HA ARG 22 HA ARG 22 0.374 5.265 -8.499 163 HB2 ARG 22 HB3 ARG 22 1.757 7.143 -6.594 164 HB3 ARG 22 HB2 ARG 22 2.523 5.593 -6.924 165 HG2 ARG 22 HG3 ARG 22 3.420 7.181 -8.493 166 HG3 ARG 22 HG2 ARG 22 2.338 6.125 -9.396 167 HD2 ARG 22 HD3 ARG 22 1.978 8.478 -10.010 168 HD3 ARG 22 HD2 ARG 22 0.548 7.822 -9.216 169 HE ARG 22 HE ARG 22 1.900 8.926 -7.109 170 HH11 ARG 22 HH22 ARG 22 1.068 10.054 -10.266 171 HH12 ARG 22 HH21 ARG 22 0.974 11.716 -9.788 172 HH21 ARG 22 HH11 ARG 22 1.778 11.089 -6.476 173 HH22 ARG 22 HH12 ARG 22 1.375 12.301 -7.645 174 H VAL 23 H VAL 23 -0.474 5.929 -5.151 175 HA VAL 23 HA VAL 23 0.301 3.307 -4.158 176 HB VAL 23 HB VAL 23 -1.565 5.399 -2.994 177 HG11 VAL 23 HG11 VAL 23 -2.050 3.277 -1.957 178 HG12 VAL 23 HG12 VAL 23 -1.025 4.171 -0.837 179 HG13 VAL 23 HG13 VAL 23 -0.336 2.884 -1.827 180 HG21 VAL 23 HG21 VAL 23 1.342 4.753 -2.414 181 HG22 VAL 23 HG22 VAL 23 0.386 6.010 -1.628 182 HG23 VAL 23 HG23 VAL 23 0.785 6.144 -3.342 183 H GLN 24 H GLN 24 -2.868 4.838 -4.868 184 HA GLN 24 HA GLN 24 -4.473 2.546 -4.434 185 HB2 GLN 24 HB3 GLN 24 -4.785 4.834 -6.405 186 HB3 GLN 24 HB2 GLN 24 -6.032 3.614 -6.137 187 HG2 GLN 24 HG3 GLN 24 -6.213 4.228 -3.797 188 HG3 GLN 24 HG2 GLN 24 -4.849 5.336 -3.940 189 HE21 GLN 24 HE22 GLN 24 -8.244 5.171 -4.088 190 HE22 GLN 24 HE21 GLN 24 -8.526 6.652 -4.868 191 H ALA 25 H ALA 25 -2.483 3.507 -7.163 192 HA ALA 25 HA ALA 25 -3.390 1.396 -8.945 193 HB1 ALA 25 HB1 ALA 25 -0.888 3.116 -8.927 194 HB2 ALA 25 HB2 ALA 25 -2.353 3.406 -9.865 195 HB3 ALA 25 HB3 ALA 25 -1.328 2.020 -10.236 196 H ALA 26 H ALA 26 -0.916 1.737 -6.476 197 HA ALA 26 HA ALA 26 0.531 -0.673 -7.163 198 HB1 ALA 26 HB1 ALA 26 0.314 0.785 -4.507 199 HB2 ALA 26 HB2 ALA 26 1.512 1.114 -5.757 200 HB3 ALA 26 HB3 ALA 26 1.522 -0.435 -4.914 201 H LEU 27 H LEU 27 -2.125 0.109 -4.936 202 HA LEU 27 HA LEU 27 -2.367 -2.600 -3.911 203 HB2 LEU 27 HB3 LEU 27 -3.608 -0.016 -3.441 204 HB3 LEU 27 HB2 LEU 27 -4.873 -1.215 -3.670 205 HG LEU 27 HG LEU 27 -3.693 -2.660 -1.951 206 HD11 LEU 27 HD11 LEU 27 -1.466 -1.769 -1.951 207 HD12 LEU 27 HD12 LEU 27 -2.158 -1.330 -0.395 208 HD13 LEU 27 HD13 LEU 27 -2.045 -0.127 -1.679 209 HD21 LEU 27 HD21 LEU 27 -5.653 -1.345 -1.342 210 HD22 LEU 27 HD22 LEU 27 -4.659 0.097 -1.131 211 HD23 LEU 27 HD23 LEU 27 -4.480 -1.267 -0.027 212 H MET 28 H MET 28 -4.146 -0.684 -6.344 213 HA MET 28 HA MET 28 -5.984 -2.712 -7.105 214 HB2 MET 28 HB3 MET 28 -6.020 -0.273 -7.824 215 HB3 MET 28 HB2 MET 28 -4.742 -0.665 -8.973 216 HG2 MET 28 HG3 MET 28 -6.816 -0.815 -10.175 217 HG3 MET 28 HG2 MET 28 -6.282 -2.472 -9.896 218 HE1 MET 28 HE1 MET 28 -9.132 -1.460 -10.698 219 HE2 MET 28 HE2 MET 28 -10.220 -2.434 -9.699 220 HE3 MET 28 HE3 MET 28 -8.827 -3.181 -10.477 221 H GLU 29 H GLU 29 -2.678 -2.018 -8.197 222 HA GLU 29 HA GLU 29 -2.656 -4.143 -10.180 223 HB2 GLU 29 HB3 GLU 29 -1.127 -2.115 -10.179 224 HB3 GLU 29 HB2 GLU 29 -0.270 -2.846 -8.824 225 HG2 GLU 29 HG3 GLU 29 0.931 -3.464 -10.813 226 HG3 GLU 29 HG2 GLU 29 0.067 -4.904 -10.282 227 H CYS 30 H CYS 30 -2.027 -3.897 -6.749 228 HA CYS 30 HA CYS 30 -0.451 -6.236 -6.376 229 HB2 CYS 30 HB3 CYS 30 -1.069 -4.496 -4.619 230 HB3 CYS 30 HB2 CYS 30 -2.625 -5.313 -4.478 231 HG CYS 30 HG CYS 30 0.095 -6.741 -3.865 232 H SER 31 H SER 31 -3.980 -5.856 -6.601 233 HA SER 31 HA SER 31 -4.794 -8.433 -5.968 234 HB2 SER 31 HB3 SER 31 -6.442 -6.735 -6.402 235 HB3 SER 31 HB2 SER 31 -5.866 -6.525 -8.053 236 HG SER 31 HG SER 31 -7.769 -8.087 -7.300 237 H GLU 32 H GLU 32 -3.187 -7.296 -8.870 238 HA GLU 32 HA GLU 32 -3.763 -9.597 -10.512 239 HB2 GLU 32 HB3 GLU 32 -1.393 -7.703 -10.619 240 HB3 GLU 32 HB2 GLU 32 -1.891 -8.802 -11.903 241 HG2 GLU 32 HG3 GLU 32 -3.666 -6.618 -10.769 242 HG3 GLU 32 HG2 GLU 32 -2.692 -6.436 -12.228 243 H ASN 33 H ASN 33 -0.804 -8.676 -8.725 244 HA ASN 33 HA ASN 33 -0.316 -11.207 -7.576 245 HB2 ASN 33 HB3 ASN 33 1.705 -11.738 -9.271 246 HB3 ASN 33 HB2 ASN 33 0.077 -12.324 -9.604 247 HD21 ASN 33 HD22 ASN 33 0.910 -8.889 -9.884 248 HD22 ASN 33 HD21 ASN 33 0.790 -8.819 -11.575 249 HA PRO 34 HA PRO 34 2.785 -8.874 -5.451 250 HB2 PRO 34 HB2 PRO 34 5.018 -10.635 -5.659 251 HB3 PRO 34 HB3 PRO 34 3.825 -10.592 -4.348 252 HG2 PRO 34 HG3 PRO 34 3.952 -12.374 -6.731 253 HG3 PRO 34 HG2 PRO 34 3.384 -12.723 -5.086 254 HD2 PRO 34 HD3 PRO 34 1.630 -12.379 -7.085 255 HD3 PRO 34 HD2 PRO 34 1.278 -11.740 -5.465 256 H MET 35 H MET 35 3.106 -9.721 -8.722 257 HA MET 35 HA MET 35 5.682 -8.616 -9.324 258 HB2 MET 35 HB3 MET 35 3.198 -8.781 -11.062 259 HB3 MET 35 HB2 MET 35 4.834 -8.469 -11.643 260 HG2 MET 35 HG3 MET 35 5.574 -10.653 -10.811 261 HG3 MET 35 HG2 MET 35 3.967 -10.965 -10.155 262 HE1 MET 35 HE1 MET 35 5.959 -12.481 -12.473 263 HE2 MET 35 HE2 MET 35 4.638 -13.290 -13.327 264 HE3 MET 35 HE3 MET 35 4.635 -13.209 -11.567 265 H ASN 36 H ASN 36 2.892 -7.187 -8.140 266 HA ASN 36 HA ASN 36 2.746 -4.718 -9.505 267 HB2 ASN 36 HB3 ASN 36 1.918 -3.827 -7.239 268 HB3 ASN 36 HB2 ASN 36 1.033 -5.194 -7.909 269 HD21 ASN 36 HD22 ASN 36 0.845 -4.849 -5.172 270 HD22 ASN 36 HD21 ASN 36 1.763 -6.022 -4.358 271 H ILE 37 H ILE 37 4.493 -5.418 -6.473 272 HA ILE 37 HA ILE 37 5.857 -2.908 -6.453 273 HB ILE 37 HB ILE 37 5.460 -4.561 -4.508 274 HG12 ILE 37 HG13 ILE 37 7.600 -3.871 -3.380 275 HG13 ILE 37 HG12 ILE 37 8.184 -3.287 -4.934 276 HG21 ILE 37 HG21 ILE 37 8.095 -5.731 -5.438 277 HG22 ILE 37 HG22 ILE 37 6.541 -6.484 -5.799 278 HG23 ILE 37 HG23 ILE 37 7.058 -6.289 -4.125 279 HD11 ILE 37 HD11 ILE 37 6.871 -1.714 -3.153 280 HD12 ILE 37 HD12 ILE 37 5.503 -2.271 -4.115 281 HD13 ILE 37 HD13 ILE 37 6.844 -1.430 -4.890 282 H MET 38 H MET 38 6.484 -5.886 -8.121 283 HA MET 38 HA MET 38 9.307 -5.480 -8.558 284 HB2 MET 38 HB3 MET 38 7.255 -7.019 -10.177 285 HB3 MET 38 HB2 MET 38 8.998 -7.112 -10.419 286 HG2 MET 38 HG3 MET 38 7.657 -7.723 -7.771 287 HG3 MET 38 HG2 MET 38 8.033 -8.956 -8.974 288 HE1 MET 38 HE1 MET 38 8.833 -9.168 -6.208 289 HE2 MET 38 HE2 MET 38 10.584 -9.353 -6.031 290 HE3 MET 38 HE3 MET 38 9.707 -10.319 -7.215 291 H LYS 39 H LYS 39 7.457 -3.146 -9.101 292 HA LYS 39 HA LYS 39 8.672 -2.370 -11.678 293 HB2 LYS 39 HB3 LYS 39 5.671 -2.399 -11.215 294 HB3 LYS 39 HB2 LYS 39 6.465 -1.597 -12.570 295 HG2 LYS 39 HG3 LYS 39 7.514 -3.877 -13.116 296 HG3 LYS 39 HG2 LYS 39 6.371 -4.565 -11.964 297 HD2 LYS 39 HD3 LYS 39 5.684 -2.979 -14.459 298 HD3 LYS 39 HD2 LYS 39 5.440 -4.708 -14.216 299 HE2 LYS 39 HE3 LYS 39 3.992 -2.408 -12.892 300 HE3 LYS 39 HE2 LYS 39 3.308 -3.767 -13.782 301 HZ1 LYS 39 HZ1 LYS 39 4.323 -3.662 -11.038 302 HZ2 LYS 39 HZ2 LYS 39 4.498 -5.115 -11.895 303 HZ3 LYS 39 HZ3 LYS 39 2.952 -4.451 -11.658 304 H TYR 40 H TYR 40 6.669 -1.507 -8.870 305 HA TYR 40 HA TYR 40 7.117 1.367 -9.298 306 HB2 TYR 40 HB3 TYR 40 5.926 0.011 -6.862 307 HB3 TYR 40 HB2 TYR 40 5.729 1.685 -7.376 308 HD1 TYR 40 HD2 TYR 40 4.872 1.981 -9.863 309 HD2 TYR 40 HD1 TYR 40 4.178 -1.483 -7.419 310 HE1 TYR 40 HE2 TYR 40 2.924 1.385 -11.270 311 HE2 TYR 40 HE1 TYR 40 2.228 -2.079 -8.829 312 HH TYR 40 HH TYR 40 1.687 -1.156 -11.714 313 H GLN 41 H GLN 41 9.113 -1.014 -8.239 314 HA GLN 41 HA GLN 41 10.162 -0.173 -5.765 315 HB2 GLN 41 HB3 GLN 41 11.306 -1.534 -8.179 316 HB3 GLN 41 HB2 GLN 41 12.450 -0.932 -6.981 317 HG2 GLN 41 HG3 GLN 41 10.089 -2.687 -6.257 318 HG3 GLN 41 HG2 GLN 41 11.679 -3.337 -6.648 319 HE21 GLN 41 HE22 GLN 41 10.053 -3.104 -3.993 320 HE22 GLN 41 HE21 GLN 41 11.180 -2.449 -2.905 321 H ASN 42 H ASN 42 10.318 1.355 -8.878 322 HA ASN 42 HA ASN 42 12.466 3.215 -8.090 323 HB2 ASN 42 HB3 ASN 42 12.124 4.210 -10.293 324 HB3 ASN 42 HB2 ASN 42 12.199 2.457 -10.459 325 HD21 ASN 42 HD22 ASN 42 9.754 1.484 -10.025 326 HD22 ASN 42 HD21 ASN 42 8.563 2.242 -10.968 327 H ASP 43 H ASP 43 8.944 3.124 -8.286 328 HA ASP 43 HA ASP 43 8.546 5.956 -7.929 329 HB2 ASP 43 HB3 ASP 43 6.871 4.077 -8.685 330 HB3 ASP 43 HB2 ASP 43 6.587 3.871 -6.961 331 H LYS 44 H LYS 44 9.837 6.672 -6.218 332 HA LYS 44 HA LYS 44 10.321 5.497 -3.773 333 HB2 LYS 44 HB3 LYS 44 11.306 7.631 -4.712 334 HB3 LYS 44 HB2 LYS 44 9.874 8.463 -4.109 335 HG2 LYS 44 HG3 LYS 44 10.415 7.460 -1.819 336 HG3 LYS 44 HG2 LYS 44 11.966 6.973 -2.497 337 HD2 LYS 44 HD3 LYS 44 10.896 9.806 -2.298 338 HD3 LYS 44 HD2 LYS 44 12.212 9.116 -1.350 339 HE2 LYS 44 HE3 LYS 44 12.176 9.796 -4.294 340 HE3 LYS 44 HE2 LYS 44 13.330 10.306 -3.063 341 HZ1 LYS 44 HZ1 LYS 44 13.163 7.791 -4.528 342 HZ2 LYS 44 HZ2 LYS 44 13.649 7.697 -2.906 343 HZ3 LYS 44 HZ3 LYS 44 14.527 8.655 -4.001 344 H GLU 45 H GLU 45 7.373 7.138 -4.762 345 HA GLU 45 HA GLU 45 6.328 7.493 -2.092 346 HB2 GLU 45 HB3 GLU 45 5.520 8.674 -4.197 347 HB3 GLU 45 HB2 GLU 45 4.717 7.171 -4.642 348 HG2 GLU 45 HG3 GLU 45 3.075 8.521 -3.521 349 HG3 GLU 45 HG2 GLU 45 3.539 7.254 -2.388 350 H VAL 46 H VAL 46 5.853 4.977 -4.564 351 HA VAL 46 HA VAL 46 4.063 3.405 -2.935 352 HB VAL 46 HB VAL 46 5.752 2.513 -5.272 353 HG11 VAL 46 HG11 VAL 46 4.833 0.625 -4.069 354 HG12 VAL 46 HG12 VAL 46 3.878 0.850 -5.532 355 HG13 VAL 46 HG13 VAL 46 3.251 1.398 -3.977 356 HG21 VAL 46 HG21 VAL 46 3.765 3.024 -6.640 357 HG22 VAL 46 HG22 VAL 46 4.355 4.476 -5.833 358 HG23 VAL 46 HG23 VAL 46 2.936 3.637 -5.209 359 H MET 47 H MET 47 7.588 3.323 -3.486 360 HA MET 47 HA MET 47 7.947 0.795 -2.167 361 HB2 MET 47 HB3 MET 47 10.246 1.144 -2.371 362 HB3 MET 47 HB2 MET 47 9.639 2.209 -3.632 363 HG2 MET 47 HG3 MET 47 9.721 4.096 -1.949 364 HG3 MET 47 HG2 MET 47 10.547 2.996 -0.848 365 HE1 MET 47 HE1 MET 47 13.497 5.116 -1.777 366 HE2 MET 47 HE2 MET 47 13.093 3.824 -0.638 367 HE3 MET 47 HE3 MET 47 11.961 5.146 -0.914 368 H ASP 48 H ASP 48 8.132 4.130 -0.960 369 HA ASP 48 HA ASP 48 8.762 3.454 1.738 370 HB2 ASP 48 HB3 ASP 48 7.373 5.788 0.409 371 HB3 ASP 48 HB2 ASP 48 7.530 5.723 2.165 372 H VAL 49 H VAL 49 5.717 3.587 -0.026 373 HA VAL 49 HA VAL 49 4.046 3.239 2.334 374 HB VAL 49 HB VAL 49 3.556 2.989 -0.644 375 HG11 VAL 49 HG11 VAL 49 1.105 3.171 0.064 376 HG12 VAL 49 HG12 VAL 49 1.644 2.747 1.688 377 HG13 VAL 49 HG13 VAL 49 1.880 1.616 0.356 378 HG21 VAL 49 HG21 VAL 49 2.678 5.189 -0.505 379 HG22 VAL 49 HG22 VAL 49 4.127 5.248 0.497 380 HG23 VAL 49 HG23 VAL 49 2.540 5.118 1.251 381 H PHE 50 H PHE 50 4.843 1.107 -0.410 382 HA PHE 50 HA PHE 50 3.611 -1.196 0.738 383 HB2 PHE 50 HB3 PHE 50 5.172 -0.552 -1.655 384 HB3 PHE 50 HB2 PHE 50 5.584 -2.147 -1.036 385 HD1 PHE 50 HD1 PHE 50 2.691 0.044 -1.877 386 HD2 PHE 50 HD2 PHE 50 4.109 -3.985 -1.432 387 HE1 PHE 50 HE1 PHE 50 0.541 -0.805 -2.755 388 HE2 PHE 50 HE2 PHE 50 1.956 -4.836 -2.319 389 HZ PHE 50 HZ PHE 50 0.171 -3.248 -2.983 390 H ASN 51 H ASN 51 6.733 0.270 1.187 391 HA ASN 51 HA ASN 51 7.903 -2.104 2.463 392 HB2 ASN 51 HB3 ASN 51 8.794 0.798 2.398 393 HB3 ASN 51 HB2 ASN 51 9.707 -0.504 3.155 394 HD21 ASN 51 HD22 ASN 51 7.866 -1.135 0.215 395 HD22 ASN 51 HD21 ASN 51 9.209 -1.302 -0.809 396 H LYS 52 H LYS 52 5.999 0.682 3.378 397 HA LYS 52 HA LYS 52 6.548 0.364 6.249 398 HB2 LYS 52 HB3 LYS 52 5.927 2.578 5.396 399 HB3 LYS 52 HB2 LYS 52 4.408 1.934 4.771 400 HG2 LYS 52 HG3 LYS 52 3.567 1.502 6.967 401 HG3 LYS 52 HG2 LYS 52 5.151 1.749 7.701 402 HD2 LYS 52 HD3 LYS 52 5.077 4.137 6.997 403 HD3 LYS 52 HD2 LYS 52 3.457 3.874 6.351 404 HE2 LYS 52 HE3 LYS 52 2.589 3.352 8.540 405 HE3 LYS 52 HE2 LYS 52 4.209 3.336 9.237 406 HZ1 LYS 52 HZ1 LYS 52 3.562 5.775 7.856 407 HZ2 LYS 52 HZ2 LYS 52 4.242 5.546 9.393 408 HZ3 LYS 52 HZ3 LYS 52 2.557 5.469 9.191 409 H ILE 53 H ILE 53 3.916 -0.267 4.005 410 HA ILE 53 HA ILE 53 2.030 -1.440 5.703 411 HB ILE 53 HB ILE 53 2.717 -1.459 2.836 412 HG12 ILE 53 HG13 ILE 53 0.313 -1.151 2.577 413 HG13 ILE 53 HG12 ILE 53 0.060 -1.565 4.270 414 HG21 ILE 53 HG21 ILE 53 1.191 -3.371 2.274 415 HG22 ILE 53 HG22 ILE 53 1.266 -3.857 3.965 416 HG23 ILE 53 HG23 ILE 53 2.730 -3.854 2.982 417 HD11 ILE 53 HD11 ILE 53 0.662 0.504 4.978 418 HD12 ILE 53 HD12 ILE 53 0.396 0.989 3.309 419 HD13 ILE 53 HD13 ILE 53 2.021 0.601 3.865 420 H SER 54 H SER 54 4.860 -2.940 4.150 421 HA SER 54 HA SER 54 4.276 -5.553 5.329 422 HB2 SER 54 HB3 SER 54 5.390 -5.513 3.197 423 HB3 SER 54 HB2 SER 54 6.661 -4.462 3.816 424 HG SER 54 HG SER 54 7.493 -6.481 3.924 425 H GLN 55 H GLN 55 6.254 -2.781 6.266 426 HA GLN 55 HA GLN 55 7.845 -4.309 8.182 427 HB2 GLN 55 HB3 GLN 55 7.419 -1.366 7.639 428 HB3 GLN 55 HB2 GLN 55 8.305 -1.891 9.071 429 HG2 GLN 55 HG3 GLN 55 9.960 -3.018 7.741 430 HG3 GLN 55 HG2 GLN 55 9.009 -2.816 6.270 431 HE21 GLN 55 HE22 GLN 55 11.726 -1.623 7.621 432 HE22 GLN 55 HE21 GLN 55 11.662 -0.012 7.089 433 H LEU 56 H LEU 56 4.872 -2.419 8.252 434 HA LEU 56 HA LEU 56 4.600 -2.797 11.180 435 HB2 LEU 56 HB3 LEU 56 3.016 -1.317 9.071 436 HB3 LEU 56 HB2 LEU 56 2.368 -1.561 10.689 437 HG LEU 56 HG LEU 56 3.554 0.643 10.365 438 HD11 LEU 56 HD11 LEU 56 5.136 -0.926 12.391 439 HD12 LEU 56 HD12 LEU 56 3.396 -0.743 12.607 440 HD13 LEU 56 HD13 LEU 56 4.427 0.680 12.519 441 HD21 LEU 56 HD21 LEU 56 5.355 -0.392 8.871 442 HD22 LEU 56 HD22 LEU 56 6.103 -0.995 10.347 443 HD23 LEU 56 HD23 LEU 56 5.926 0.739 10.091 444 H PHE 57 H PHE 57 3.443 -4.133 8.165 445 HA PHE 57 HA PHE 57 1.728 -6.065 9.704 446 HB2 PHE 57 HB3 PHE 57 1.149 -5.415 6.817 447 HB3 PHE 57 HB2 PHE 57 0.051 -5.969 8.077 448 HD1 PHE 57 HD2 PHE 57 0.438 -4.167 10.280 449 HD2 PHE 57 HD1 PHE 57 0.448 -3.281 6.078 450 HE1 PHE 57 HE2 PHE 57 -0.213 -1.828 10.772 451 HE2 PHE 57 HE1 PHE 57 -0.213 -0.948 6.575 452 HZ PHE 57 HZ PHE 57 -0.538 -0.218 8.918 453 HA PRO 58 HA PRO 58 4.957 -8.357 7.268 454 HB2 PRO 58 HB2 PRO 58 6.160 -9.699 9.277 455 HB3 PRO 58 HB3 PRO 58 6.529 -7.989 8.965 456 HG2 PRO 58 HG3 PRO 58 4.718 -9.180 11.030 457 HG3 PRO 58 HG2 PRO 58 5.896 -7.863 11.196 458 HD2 PRO 58 HD3 PRO 58 3.178 -7.456 10.840 459 HD3 PRO 58 HD2 PRO 58 4.421 -6.273 10.379 460 H GLY 59 H GLY 59 2.079 -9.009 7.957 461 HA2 GLY 59 HA3 GLY 59 2.075 -11.750 7.163 462 HA3 GLY 59 HA2 GLY 59 1.823 -11.672 8.908 463 H MET 60 H MET 60 0.663 -8.871 7.453 464 HA MET 60 HA MET 60 -1.525 -8.061 7.203 465 HB2 MET 60 HB3 MET 60 -2.044 -10.825 6.067 466 HB3 MET 60 HB2 MET 60 -2.943 -9.348 5.721 467 HG2 MET 60 HG3 MET 60 -0.851 -8.349 4.782 468 HG3 MET 60 HG2 MET 60 -0.047 -9.901 5.018 469 HE1 MET 60 HE1 MET 60 -0.378 -9.870 1.241 470 HE2 MET 60 HE2 MET 60 0.488 -10.742 2.514 471 HE3 MET 60 HE3 MET 60 0.384 -8.983 2.559 472 H THR 61 H THR 61 -2.159 -7.892 9.387 473 HA THR 61 HA THR 61 -2.936 -10.054 11.059 474 HB THR 61 HB THR 61 -3.981 -8.385 12.467 475 HG1 THR 61 HG1 THR 61 -4.819 -6.621 11.668 476 HG21 THR 61 HG21 THR 61 -1.645 -7.103 11.024 477 HG22 THR 61 HG22 THR 61 -1.490 -8.352 12.259 478 HG23 THR 61 HG23 THR 61 -2.168 -6.779 12.677 479 H GLY 62 H GLY 62 -4.305 -11.507 9.958 480 HA2 GLY 62 HA3 GLY 62 -6.585 -10.776 8.417 481 HA3 GLY 62 HA2 GLY 62 -6.356 -12.346 9.188 Start of MODEL 16 1 H2 PRO 1 H2 PRO 1 -12.076 -2.372 1.280 2 H3 PRO 1 H3 PRO 1 -13.014 -2.389 -0.142 3 HA PRO 1 HA PRO 1 -14.810 -3.094 0.923 4 HB2 PRO 1 HB2 PRO 1 -13.443 -5.044 2.734 5 HB3 PRO 1 HB3 PRO 1 -14.824 -5.297 1.646 6 HG2 PRO 1 HG3 PRO 1 -12.310 -6.178 1.080 7 HG3 PRO 1 HG2 PRO 1 -13.486 -5.724 -0.168 8 HD2 PRO 1 HD3 PRO 1 -11.072 -4.251 0.747 9 HD3 PRO 1 HD2 PRO 1 -11.907 -4.175 -0.809 10 H GLU 2 H GLU 2 -15.870 -2.868 3.064 11 HA GLU 2 HA GLU 2 -14.706 -0.733 4.610 12 HB2 GLU 2 HB3 GLU 2 -17.068 -2.558 5.161 13 HB3 GLU 2 HB2 GLU 2 -16.646 -1.169 6.161 14 HG2 GLU 2 HG3 GLU 2 -18.337 -0.453 4.589 15 HG3 GLU 2 HG2 GLU 2 -16.807 0.272 4.096 16 H GLU 3 H GLU 3 -14.632 -4.209 4.859 17 HA GLU 3 HA GLU 3 -13.839 -4.340 7.640 18 HB2 GLU 3 HB3 GLU 3 -13.095 -6.430 5.587 19 HB3 GLU 3 HB2 GLU 3 -13.554 -6.652 7.278 20 HG2 GLU 3 HG3 GLU 3 -15.850 -5.756 6.652 21 HG3 GLU 3 HG2 GLU 3 -15.343 -5.867 4.966 22 H VAL 4 H VAL 4 -12.007 -4.535 4.575 23 HA VAL 4 HA VAL 4 -9.440 -4.564 5.942 24 HB VAL 4 HB VAL 4 -10.136 -3.914 3.060 25 HG11 VAL 4 HG11 VAL 4 -7.938 -3.045 3.575 26 HG12 VAL 4 HG12 VAL 4 -7.714 -4.558 2.700 27 HG13 VAL 4 HG13 VAL 4 -7.507 -4.515 4.451 28 HG21 VAL 4 HG21 VAL 4 -10.829 -6.166 3.732 29 HG22 VAL 4 HG22 VAL 4 -9.234 -6.470 4.420 30 HG23 VAL 4 HG23 VAL 4 -9.418 -6.264 2.678 31 H ILE 5 H ILE 5 -11.163 -2.107 4.004 32 HA ILE 5 HA ILE 5 -9.426 0.053 4.418 33 HB ILE 5 HB ILE 5 -12.453 0.068 4.314 34 HG12 ILE 5 HG13 ILE 5 -11.011 -0.916 2.348 35 HG13 ILE 5 HG12 ILE 5 -12.290 0.232 1.971 36 HG21 ILE 5 HG21 ILE 5 -11.820 2.183 5.192 37 HG22 ILE 5 HG22 ILE 5 -12.034 2.461 3.465 38 HG23 ILE 5 HG23 ILE 5 -10.411 2.295 4.136 39 HD11 ILE 5 HD11 ILE 5 -9.447 1.150 2.435 40 HD12 ILE 5 HD12 ILE 5 -10.759 2.002 1.625 41 HD13 ILE 5 HD13 ILE 5 -10.002 0.610 0.854 42 H SER 6 H SER 6 -11.654 -1.473 6.614 43 HA SER 6 HA SER 6 -11.704 0.680 8.560 44 HB2 SER 6 HB3 SER 6 -13.457 -0.859 8.864 45 HB3 SER 6 HB2 SER 6 -12.404 -2.248 8.632 46 HG SER 6 HG SER 6 -11.417 -1.716 10.632 47 H LYS 7 H LYS 7 -9.618 -2.140 8.027 48 HA LYS 7 HA LYS 7 -8.176 -1.781 10.523 49 HB2 LYS 7 HB3 LYS 7 -6.930 -3.645 9.915 50 HB3 LYS 7 HB2 LYS 7 -8.390 -3.901 8.973 51 HG2 LYS 7 HG3 LYS 7 -6.869 -4.229 7.267 52 HG3 LYS 7 HG2 LYS 7 -6.966 -2.483 7.145 53 HD2 LYS 7 HD3 LYS 7 -4.651 -2.786 7.251 54 HD3 LYS 7 HD2 LYS 7 -5.027 -2.538 8.953 55 HE2 LYS 7 HE3 LYS 7 -5.227 -5.072 9.157 56 HE3 LYS 7 HE2 LYS 7 -4.550 -5.169 7.532 57 HZ1 LYS 7 HZ1 LYS 7 -2.529 -4.799 8.322 58 HZ2 LYS 7 HZ2 LYS 7 -3.156 -4.947 9.891 59 HZ3 LYS 7 HZ3 LYS 7 -3.033 -3.414 9.169 60 H ILE 8 H ILE 8 -7.801 -0.479 7.285 61 HA ILE 8 HA ILE 8 -5.114 0.460 7.514 62 HB ILE 8 HB ILE 8 -7.305 1.969 6.059 63 HG12 ILE 8 HG13 ILE 8 -7.477 -0.494 5.549 64 HG13 ILE 8 HG12 ILE 8 -7.112 0.508 4.158 65 HG21 ILE 8 HG21 ILE 8 -4.345 1.564 5.564 66 HG22 ILE 8 HG22 ILE 8 -5.157 3.055 6.036 67 HG23 ILE 8 HG23 ILE 8 -5.437 2.369 4.437 68 HD11 ILE 8 HD11 ILE 8 -4.781 -0.135 4.237 69 HD12 ILE 8 HD12 ILE 8 -5.763 -1.596 4.278 70 HD13 ILE 8 HD13 ILE 8 -5.025 -0.994 5.755 71 H MET 9 H MET 9 -8.145 1.664 8.785 72 HA MET 9 HA MET 9 -7.425 4.338 9.372 73 HB2 MET 9 HB3 MET 9 -9.193 2.421 10.922 74 HB3 MET 9 HB2 MET 9 -9.112 4.158 11.217 75 HG2 MET 9 HG3 MET 9 -9.828 4.597 8.902 76 HG3 MET 9 HG2 MET 9 -9.884 2.864 8.585 77 HE1 MET 9 HE1 MET 9 -12.811 5.469 10.914 78 HE2 MET 9 HE2 MET 9 -11.703 5.922 9.611 79 HE3 MET 9 HE3 MET 9 -11.076 5.533 11.211 80 H GLU 10 H GLU 10 -5.972 1.524 10.463 81 HA GLU 10 HA GLU 10 -5.341 2.235 13.174 82 HB2 GLU 10 HB3 GLU 10 -3.659 0.484 13.027 83 HB3 GLU 10 HB2 GLU 10 -5.118 -0.059 12.199 84 HG2 GLU 10 HG3 GLU 10 -4.056 0.808 10.037 85 HG3 GLU 10 HG2 GLU 10 -2.557 0.978 10.950 86 H ASN 11 H ASN 11 -4.366 3.569 10.222 87 HA ASN 11 HA ASN 11 -2.357 5.253 11.564 88 HB2 ASN 11 HB3 ASN 11 -1.661 3.333 9.324 89 HB3 ASN 11 HB2 ASN 11 -0.660 4.726 9.735 90 HD21 ASN 11 HD22 ASN 11 -0.419 1.595 10.131 91 HD22 ASN 11 HD21 ASN 11 0.110 1.470 11.738 92 HA PRO 12 HA PRO 12 -5.129 7.539 8.603 93 HB2 PRO 12 HB2 PRO 12 -3.555 9.692 10.014 94 HB3 PRO 12 HB3 PRO 12 -5.273 9.681 9.552 95 HG2 PRO 12 HG3 PRO 12 -4.588 9.205 12.057 96 HG3 PRO 12 HG2 PRO 12 -5.858 8.235 11.285 97 HD2 PRO 12 HD3 PRO 12 -3.024 7.466 11.910 98 HD3 PRO 12 HD2 PRO 12 -4.490 6.457 11.917 99 H ASP 13 H ASP 13 -1.742 7.248 8.944 100 HA ASP 13 HA ASP 13 -0.915 9.035 6.820 101 HB2 ASP 13 HB3 ASP 13 0.602 8.161 8.628 102 HB3 ASP 13 HB2 ASP 13 0.513 6.571 7.870 103 H VAL 14 H VAL 14 -1.680 5.570 7.028 104 HA VAL 14 HA VAL 14 -1.108 5.064 4.212 105 HB VAL 14 HB VAL 14 -2.788 3.456 6.167 106 HG11 VAL 14 HG11 VAL 14 -1.419 2.764 3.552 107 HG12 VAL 14 HG12 VAL 14 -3.152 2.779 3.872 108 HG13 VAL 14 HG13 VAL 14 -2.126 1.572 4.643 109 HG21 VAL 14 HG21 VAL 14 0.150 3.149 5.477 110 HG22 VAL 14 HG22 VAL 14 -0.762 2.201 6.650 111 HG23 VAL 14 HG23 VAL 14 -0.441 3.907 6.954 112 H ALA 15 H ALA 15 -3.937 5.800 6.166 113 HA ALA 15 HA ALA 15 -5.909 5.422 4.133 114 HB1 ALA 15 HB1 ALA 15 -7.350 6.703 5.575 115 HB2 ALA 15 HB2 ALA 15 -5.969 7.449 6.380 116 HB3 ALA 15 HB3 ALA 15 -6.303 5.733 6.611 117 H MET 16 H MET 16 -3.845 8.154 5.020 118 HA MET 16 HA MET 16 -5.060 9.990 3.104 119 HB2 MET 16 HB3 MET 16 -2.504 10.016 4.730 120 HB3 MET 16 HB2 MET 16 -2.886 11.294 3.576 121 HG2 MET 16 HG3 MET 16 -4.883 11.894 4.774 122 HG3 MET 16 HG2 MET 16 -4.768 10.468 5.804 123 HE1 MET 16 HE1 MET 16 -5.361 13.033 6.881 124 HE2 MET 16 HE2 MET 16 -4.177 13.587 8.073 125 HE3 MET 16 HE3 MET 16 -4.829 11.953 8.167 126 H ALA 17 H ALA 17 -2.324 7.778 3.206 127 HA ALA 17 HA ALA 17 -1.198 8.568 0.662 128 HB1 ALA 17 HB1 ALA 17 0.142 6.580 0.848 129 HB2 ALA 17 HB2 ALA 17 -1.001 5.839 1.969 130 HB3 ALA 17 HB3 ALA 17 -0.031 7.219 2.482 131 H PHE 18 H PHE 18 -3.629 6.270 1.737 132 HA PHE 18 HA PHE 18 -4.021 4.785 -0.643 133 HB2 PHE 18 HB3 PHE 18 -5.608 5.511 1.760 134 HB3 PHE 18 HB2 PHE 18 -6.581 5.093 0.357 135 HD1 PHE 18 HD2 PHE 18 -3.230 3.722 1.323 136 HD2 PHE 18 HD1 PHE 18 -7.445 2.955 0.948 137 HE1 PHE 18 HE2 PHE 18 -2.840 1.322 1.791 138 HE2 PHE 18 HE1 PHE 18 -7.049 0.559 1.423 139 HZ PHE 18 HZ PHE 18 -4.747 -0.262 1.838 140 H GLN 19 H GLN 19 -4.636 8.115 0.046 141 HA GLN 19 HA GLN 19 -6.529 8.457 -2.198 142 HB2 GLN 19 HB3 GLN 19 -5.219 10.516 -0.397 143 HB3 GLN 19 HB2 GLN 19 -6.548 10.812 -1.518 144 HG2 GLN 19 HG3 GLN 19 -7.915 9.132 -0.266 145 HG3 GLN 19 HG2 GLN 19 -6.604 8.994 0.907 146 HE21 GLN 19 HE22 GLN 19 -6.959 10.283 2.711 147 HE22 GLN 19 HE21 GLN 19 -7.763 11.778 2.704 148 H ASN 20 H ASN 20 -3.617 7.589 -2.546 149 HA ASN 20 HA ASN 20 -2.695 9.824 -4.319 150 HB2 ASN 20 HB3 ASN 20 -1.188 7.578 -2.946 151 HB3 ASN 20 HB2 ASN 20 -0.465 8.603 -4.184 152 HD21 ASN 20 HD22 ASN 20 -2.681 9.411 -1.451 153 HD22 ASN 20 HD21 ASN 20 -1.651 10.576 -0.770 154 HA PRO 21 HA PRO 21 -3.721 7.100 -7.655 155 HB2 PRO 21 HB2 PRO 21 -2.048 7.988 -9.643 156 HB3 PRO 21 HB3 PRO 21 -3.456 8.916 -9.084 157 HG2 PRO 21 HG3 PRO 21 -0.575 9.225 -8.323 158 HG3 PRO 21 HG2 PRO 21 -1.767 10.474 -8.734 159 HD2 PRO 21 HD3 PRO 21 -1.131 9.894 -6.146 160 HD3 PRO 21 HD2 PRO 21 -2.769 10.404 -6.621 161 H ARG 22 H ARG 22 -0.186 7.505 -7.225 162 HA ARG 22 HA ARG 22 0.551 5.056 -8.496 163 HB2 ARG 22 HB3 ARG 22 2.018 6.331 -6.168 164 HB3 ARG 22 HB2 ARG 22 2.698 5.335 -7.454 165 HG2 ARG 22 HG3 ARG 22 1.471 8.091 -7.790 166 HG3 ARG 22 HG2 ARG 22 3.187 7.703 -7.870 167 HD2 ARG 22 HD3 ARG 22 2.521 6.055 -9.767 168 HD3 ARG 22 HD2 ARG 22 1.006 6.958 -9.822 169 HE ARG 22 HE ARG 22 3.237 8.770 -9.906 170 HH11 ARG 22 HH22 ARG 22 1.471 6.433 -11.732 171 HH12 ARG 22 HH21 ARG 22 1.837 7.159 -13.262 172 HH21 ARG 22 HH11 ARG 22 3.722 9.726 -11.894 173 HH22 ARG 22 HH12 ARG 22 3.111 9.022 -13.353 174 H VAL 23 H VAL 23 -0.535 5.789 -5.231 175 HA VAL 23 HA VAL 23 0.093 3.156 -4.160 176 HB VAL 23 HB VAL 23 -1.808 5.284 -3.132 177 HG11 VAL 23 HG11 VAL 23 -0.597 2.813 -1.857 178 HG12 VAL 23 HG12 VAL 23 -2.310 3.153 -2.100 179 HG13 VAL 23 HG13 VAL 23 -1.380 4.099 -0.939 180 HG21 VAL 23 HG21 VAL 23 1.073 4.665 -2.412 181 HG22 VAL 23 HG22 VAL 23 0.078 5.935 -1.699 182 HG23 VAL 23 HG23 VAL 23 0.555 6.032 -3.395 183 H GLN 24 H GLN 24 -2.988 4.762 -5.079 184 HA GLN 24 HA GLN 24 -4.652 2.487 -4.723 185 HB2 GLN 24 HB3 GLN 24 -4.853 4.789 -6.693 186 HB3 GLN 24 HB2 GLN 24 -6.129 3.594 -6.459 187 HG2 GLN 24 HG3 GLN 24 -6.363 4.217 -4.124 188 HG3 GLN 24 HG2 GLN 24 -4.978 5.303 -4.236 189 HE21 GLN 24 HE22 GLN 24 -8.401 4.993 -4.888 190 HE22 GLN 24 HE21 GLN 24 -8.626 6.558 -5.507 191 H ALA 25 H ALA 25 -2.552 3.471 -7.360 192 HA ALA 25 HA ALA 25 -3.387 1.352 -9.178 193 HB1 ALA 25 HB1 ALA 25 -0.843 3.012 -9.140 194 HB2 ALA 25 HB2 ALA 25 -2.335 3.480 -9.955 195 HB3 ALA 25 HB3 ALA 25 -1.440 2.060 -10.499 196 H ALA 26 H ALA 26 -0.967 1.773 -6.667 197 HA ALA 26 HA ALA 26 0.580 -0.563 -7.303 198 HB1 ALA 26 HB1 ALA 26 1.446 -0.355 -5.004 199 HB2 ALA 26 HB2 ALA 26 0.160 0.786 -4.614 200 HB3 ALA 26 HB3 ALA 26 1.401 1.223 -5.788 201 H LEU 27 H LEU 27 -2.049 0.015 -4.948 202 HA LEU 27 HA LEU 27 -2.267 -2.720 -4.102 203 HB2 LEU 27 HB3 LEU 27 -4.459 -0.623 -4.164 204 HB3 LEU 27 HB2 LEU 27 -4.411 -2.060 -3.146 205 HG LEU 27 HG LEU 27 -2.282 0.099 -3.033 206 HD11 LEU 27 HD11 LEU 27 -4.793 -0.207 -1.361 207 HD12 LEU 27 HD12 LEU 27 -4.420 1.123 -2.457 208 HD13 LEU 27 HD13 LEU 27 -3.468 0.896 -0.990 209 HD21 LEU 27 HD21 LEU 27 -1.511 -1.954 -2.050 210 HD22 LEU 27 HD22 LEU 27 -3.054 -2.232 -1.245 211 HD23 LEU 27 HD23 LEU 27 -1.998 -0.928 -0.707 212 H MET 28 H MET 28 -4.006 -0.838 -6.587 213 HA MET 28 HA MET 28 -5.783 -2.897 -7.413 214 HB2 MET 28 HB3 MET 28 -5.904 -0.517 -8.181 215 HB3 MET 28 HB2 MET 28 -4.470 -0.797 -9.168 216 HG2 MET 28 HG3 MET 28 -5.627 -2.481 -10.476 217 HG3 MET 28 HG2 MET 28 -7.031 -2.399 -9.413 218 HE1 MET 28 HE1 MET 28 -5.727 0.482 -12.701 219 HE2 MET 28 HE2 MET 28 -5.344 -1.234 -12.507 220 HE3 MET 28 HE3 MET 28 -4.618 -0.038 -11.436 221 H GLU 29 H GLU 29 -2.486 -2.097 -8.471 222 HA GLU 29 HA GLU 29 -2.328 -4.317 -10.339 223 HB2 GLU 29 HB3 GLU 29 -0.935 -2.226 -10.491 224 HB3 GLU 29 HB2 GLU 29 -0.061 -2.761 -9.055 225 HG2 GLU 29 HG3 GLU 29 0.725 -4.748 -10.188 226 HG3 GLU 29 HG2 GLU 29 -0.299 -4.416 -11.585 227 H CYS 30 H CYS 30 -1.684 -3.836 -6.918 228 HA CYS 30 HA CYS 30 0.009 -6.093 -6.451 229 HB2 CYS 30 HB3 CYS 30 -0.585 -4.303 -4.773 230 HB3 CYS 30 HB2 CYS 30 -2.156 -5.079 -4.585 231 HG CYS 30 HG CYS 30 0.320 -5.984 -3.207 232 H SER 31 H SER 31 -3.505 -5.861 -6.794 233 HA SER 31 HA SER 31 -4.286 -8.368 -5.892 234 HB2 SER 31 HB3 SER 31 -5.327 -6.947 -8.353 235 HB3 SER 31 HB2 SER 31 -6.174 -8.198 -7.447 236 HG SER 31 HG SER 31 -5.225 -5.842 -6.210 237 H GLU 32 H GLU 32 -2.502 -7.543 -8.781 238 HA GLU 32 HA GLU 32 -2.936 -10.048 -10.166 239 HB2 GLU 32 HB3 GLU 32 -0.739 -7.972 -10.411 240 HB3 GLU 32 HB2 GLU 32 -0.954 -9.330 -11.517 241 HG2 GLU 32 HG3 GLU 32 -3.263 -8.520 -12.005 242 HG3 GLU 32 HG2 GLU 32 -2.956 -7.116 -10.982 243 H ASN 33 H ASN 33 -0.083 -8.794 -8.372 244 HA ASN 33 HA ASN 33 0.425 -11.093 -6.863 245 HB2 ASN 33 HB3 ASN 33 1.189 -11.388 -9.698 246 HB3 ASN 33 HB2 ASN 33 2.543 -11.678 -8.617 247 HD21 ASN 33 HD22 ASN 33 2.417 -13.994 -9.277 248 HD22 ASN 33 HD21 ASN 33 1.241 -15.005 -8.588 249 HA PRO 34 HA PRO 34 3.608 -8.625 -5.016 250 HB2 PRO 34 HB2 PRO 34 5.563 -10.820 -5.684 251 HB3 PRO 34 HB3 PRO 34 5.323 -9.961 -4.147 252 HG2 PRO 34 HG3 PRO 34 4.353 -12.406 -4.486 253 HG3 PRO 34 HG2 PRO 34 3.419 -11.173 -3.616 254 HD2 PRO 34 HD3 PRO 34 2.978 -12.265 -6.370 255 HD3 PRO 34 HD2 PRO 34 1.798 -11.642 -5.195 256 H MET 35 H MET 35 3.856 -9.630 -8.271 257 HA MET 35 HA MET 35 6.367 -8.474 -9.007 258 HB2 MET 35 HB3 MET 35 5.481 -8.469 -11.305 259 HB3 MET 35 HB2 MET 35 5.102 -9.992 -10.504 260 HG2 MET 35 HG3 MET 35 2.844 -9.000 -9.909 261 HG3 MET 35 HG2 MET 35 3.242 -7.648 -10.969 262 HE1 MET 35 HE1 MET 35 0.858 -9.142 -13.362 263 HE2 MET 35 HE2 MET 35 2.010 -7.802 -13.422 264 HE3 MET 35 HE3 MET 35 1.091 -8.112 -11.952 265 H ASN 36 H ASN 36 3.600 -7.101 -7.785 266 HA ASN 36 HA ASN 36 3.341 -4.664 -9.210 267 HB2 ASN 36 HB3 ASN 36 1.628 -5.020 -7.662 268 HB3 ASN 36 HB2 ASN 36 2.730 -5.603 -6.422 269 HD21 ASN 36 HD22 ASN 36 0.839 -2.953 -7.317 270 HD22 ASN 36 HD21 ASN 36 1.583 -1.775 -6.347 271 H ILE 37 H ILE 37 4.931 -5.107 -6.073 272 HA ILE 37 HA ILE 37 6.275 -2.642 -6.088 273 HB ILE 37 HB ILE 37 5.894 -4.386 -4.185 274 HG12 ILE 37 HG13 ILE 37 7.869 -3.506 -2.925 275 HG13 ILE 37 HG12 ILE 37 8.503 -2.853 -4.432 276 HG21 ILE 37 HG21 ILE 37 8.668 -5.274 -5.004 277 HG22 ILE 37 HG22 ILE 37 7.212 -6.166 -5.446 278 HG23 ILE 37 HG23 ILE 37 7.634 -5.953 -3.748 279 HD11 ILE 37 HD11 ILE 37 7.021 -1.115 -4.452 280 HD12 ILE 37 HD12 ILE 37 6.905 -1.446 -2.728 281 HD13 ILE 37 HD13 ILE 37 5.691 -2.091 -3.829 282 H MET 38 H MET 38 7.214 -5.731 -7.480 283 HA MET 38 HA MET 38 9.941 -5.210 -7.995 284 HB2 MET 38 HB3 MET 38 7.885 -6.726 -9.625 285 HB3 MET 38 HB2 MET 38 9.612 -6.752 -9.971 286 HG2 MET 38 HG3 MET 38 8.461 -7.503 -7.271 287 HG3 MET 38 HG2 MET 38 8.772 -8.681 -8.545 288 HE1 MET 38 HE1 MET 38 12.432 -9.151 -8.777 289 HE2 MET 38 HE2 MET 38 11.196 -8.549 -9.890 290 HE3 MET 38 HE3 MET 38 10.833 -9.890 -8.806 291 H LYS 39 H LYS 39 7.305 -3.413 -9.025 292 HA LYS 39 HA LYS 39 8.798 -2.321 -11.394 293 HB2 LYS 39 HB3 LYS 39 5.818 -2.327 -10.816 294 HB3 LYS 39 HB2 LYS 39 6.578 -1.572 -12.214 295 HG2 LYS 39 HG3 LYS 39 7.115 -4.490 -11.660 296 HG3 LYS 39 HG2 LYS 39 5.582 -4.037 -12.394 297 HD2 LYS 39 HD3 LYS 39 8.137 -2.939 -13.571 298 HD3 LYS 39 HD2 LYS 39 7.672 -4.598 -13.930 299 HE2 LYS 39 HE3 LYS 39 5.496 -3.823 -14.779 300 HE3 LYS 39 HE2 LYS 39 5.928 -2.157 -14.398 301 HZ1 LYS 39 HZ1 LYS 39 8.035 -3.059 -15.859 302 HZ2 LYS 39 HZ2 LYS 39 6.771 -2.088 -16.439 303 HZ3 LYS 39 HZ3 LYS 39 6.700 -3.775 -16.629 304 H TYR 40 H TYR 40 6.694 -1.443 -8.631 305 HA TYR 40 HA TYR 40 7.240 1.403 -8.979 306 HB2 TYR 40 HB3 TYR 40 5.990 -0.006 -6.601 307 HB3 TYR 40 HB2 TYR 40 5.844 1.690 -7.043 308 HD1 TYR 40 HD2 TYR 40 4.855 2.260 -9.337 309 HD2 TYR 40 HD1 TYR 40 4.402 -1.566 -7.444 310 HE1 TYR 40 HE2 TYR 40 2.918 1.768 -10.804 311 HE2 TYR 40 HE1 TYR 40 2.469 -2.063 -8.920 312 HH TYR 40 HH TYR 40 0.848 -0.951 -10.260 313 H GLN 41 H GLN 41 9.269 -0.931 -8.104 314 HA GLN 41 HA GLN 41 10.302 -0.198 -5.557 315 HB2 GLN 41 HB3 GLN 41 11.247 -1.720 -7.911 316 HB3 GLN 41 HB2 GLN 41 12.555 -0.967 -7.003 317 HG2 GLN 41 HG3 GLN 41 11.732 -2.016 -4.935 318 HG3 GLN 41 HG2 GLN 41 10.415 -2.761 -5.834 319 HE21 GLN 41 HE22 GLN 41 13.459 -2.497 -7.509 320 HE22 GLN 41 HE21 GLN 41 13.909 -4.127 -7.369 321 H ASN 42 H ASN 42 10.130 1.576 -8.400 322 HA ASN 42 HA ASN 42 12.460 3.323 -7.712 323 HB2 ASN 42 HB3 ASN 42 11.978 4.367 -9.934 324 HB3 ASN 42 HB2 ASN 42 12.343 2.646 -10.052 325 HD21 ASN 42 HD22 ASN 42 10.815 1.383 -11.137 326 HD22 ASN 42 HD21 ASN 42 9.226 1.870 -11.480 327 H ASP 43 H ASP 43 8.964 3.207 -7.859 328 HA ASP 43 HA ASP 43 8.545 6.063 -7.565 329 HB2 ASP 43 HB3 ASP 43 6.874 4.309 -8.435 330 HB3 ASP 43 HB2 ASP 43 6.620 3.870 -6.749 331 H LYS 44 H LYS 44 9.809 6.742 -5.773 332 HA LYS 44 HA LYS 44 10.116 5.542 -3.305 333 HB2 LYS 44 HB3 LYS 44 9.885 8.479 -3.980 334 HB3 LYS 44 HB2 LYS 44 10.400 7.886 -2.400 335 HG2 LYS 44 HG3 LYS 44 12.335 6.816 -3.325 336 HG3 LYS 44 HG2 LYS 44 11.752 7.036 -4.973 337 HD2 LYS 44 HD3 LYS 44 13.531 8.672 -4.381 338 HD3 LYS 44 HD2 LYS 44 12.007 9.458 -4.788 339 HE2 LYS 44 HE3 LYS 44 13.256 10.287 -2.669 340 HE3 LYS 44 HE2 LYS 44 11.528 9.968 -2.523 341 HZ1 LYS 44 HZ1 LYS 44 11.875 8.143 -1.260 342 HZ2 LYS 44 HZ2 LYS 44 13.300 8.968 -0.854 343 HZ3 LYS 44 HZ3 LYS 44 13.338 7.736 -2.024 344 H GLU 45 H GLU 45 7.307 7.315 -4.474 345 HA GLU 45 HA GLU 45 6.024 7.679 -1.943 346 HB2 GLU 45 HB3 GLU 45 5.362 8.752 -4.150 347 HB3 GLU 45 HB2 GLU 45 4.639 7.210 -4.602 348 HG2 GLU 45 HG3 GLU 45 2.875 8.560 -3.680 349 HG3 GLU 45 HG2 GLU 45 3.266 7.343 -2.466 350 H VAL 46 H VAL 46 5.655 5.094 -4.378 351 HA VAL 46 HA VAL 46 3.866 3.521 -2.758 352 HB VAL 46 HB VAL 46 5.660 2.597 -5.007 353 HG11 VAL 46 HG11 VAL 46 3.832 0.890 -5.288 354 HG12 VAL 46 HG12 VAL 46 3.124 1.478 -3.785 355 HG13 VAL 46 HG13 VAL 46 4.722 0.733 -3.775 356 HG21 VAL 46 HG21 VAL 46 4.243 4.520 -5.673 357 HG22 VAL 46 HG22 VAL 46 2.819 3.655 -5.097 358 HG23 VAL 46 HG23 VAL 46 3.731 3.034 -6.472 359 H MET 47 H MET 47 7.375 3.587 -3.179 360 HA MET 47 HA MET 47 7.941 1.134 -1.819 361 HB2 MET 47 HB3 MET 47 9.602 3.670 -1.954 362 HB3 MET 47 HB2 MET 47 10.198 2.094 -1.442 363 HG2 MET 47 HG3 MET 47 9.953 1.168 -3.612 364 HG3 MET 47 HG2 MET 47 8.899 2.477 -4.146 365 HE1 MET 47 HE1 MET 47 12.340 3.007 -2.033 366 HE2 MET 47 HE2 MET 47 13.401 2.575 -3.381 367 HE3 MET 47 HE3 MET 47 12.199 1.427 -2.798 368 H ASP 48 H ASP 48 7.794 4.480 -0.634 369 HA ASP 48 HA ASP 48 8.313 3.874 2.099 370 HB2 ASP 48 HB3 ASP 48 6.882 6.109 0.656 371 HB3 ASP 48 HB2 ASP 48 6.937 6.082 2.418 372 H VAL 49 H VAL 49 5.361 3.785 0.189 373 HA VAL 49 HA VAL 49 3.601 3.406 2.480 374 HB VAL 49 HB VAL 49 3.255 3.070 -0.508 375 HG11 VAL 49 HG11 VAL 49 1.260 2.785 1.749 376 HG12 VAL 49 HG12 VAL 49 1.610 1.634 0.458 377 HG13 VAL 49 HG13 VAL 49 0.772 3.139 0.091 378 HG21 VAL 49 HG21 VAL 49 2.109 5.183 1.333 379 HG22 VAL 49 HG22 VAL 49 2.214 5.218 -0.426 380 HG23 VAL 49 HG23 VAL 49 3.674 5.373 0.547 381 H PHE 50 H PHE 50 4.618 1.263 -0.179 382 HA PHE 50 HA PHE 50 3.456 -1.074 0.989 383 HB2 PHE 50 HB3 PHE 50 5.021 -0.400 -1.393 384 HB3 PHE 50 HB2 PHE 50 5.517 -1.955 -0.729 385 HD1 PHE 50 HD1 PHE 50 2.626 0.020 -1.945 386 HD2 PHE 50 HD2 PHE 50 4.049 -3.871 -0.817 387 HE1 PHE 50 HE1 PHE 50 0.547 -0.991 -2.831 388 HE2 PHE 50 HE2 PHE 50 1.973 -4.886 -1.708 389 HZ PHE 50 HZ PHE 50 0.222 -3.450 -2.716 390 H ASN 51 H ASN 51 6.497 0.544 1.443 391 HA ASN 51 HA ASN 51 7.761 -1.736 2.795 392 HB2 ASN 51 HB3 ASN 51 9.115 0.014 1.637 393 HB3 ASN 51 HB2 ASN 51 8.547 1.197 2.818 394 HD21 ASN 51 HD22 ASN 51 10.051 1.509 4.455 395 HD22 ASN 51 HD21 ASN 51 11.078 0.312 5.082 396 H LYS 52 H LYS 52 5.747 1.007 3.624 397 HA LYS 52 HA LYS 52 6.280 0.761 6.506 398 HB2 LYS 52 HB3 LYS 52 5.665 2.951 5.685 399 HB3 LYS 52 HB2 LYS 52 4.215 2.311 4.911 400 HG2 LYS 52 HG3 LYS 52 3.143 1.906 6.993 401 HG3 LYS 52 HG2 LYS 52 4.651 2.054 7.894 402 HD2 LYS 52 HD3 LYS 52 3.166 4.062 8.122 403 HD3 LYS 52 HD2 LYS 52 4.752 4.441 7.454 404 HE2 LYS 52 HE3 LYS 52 2.405 3.859 5.641 405 HE3 LYS 52 HE2 LYS 52 2.682 5.477 6.284 406 HZ1 LYS 52 HZ1 LYS 52 4.093 4.063 4.228 407 HZ2 LYS 52 HZ2 LYS 52 5.130 4.716 5.400 408 HZ3 LYS 52 HZ3 LYS 52 4.048 5.727 4.567 409 H ILE 53 H ILE 53 3.723 -0.004 4.228 410 HA ILE 53 HA ILE 53 1.802 -1.133 5.917 411 HB ILE 53 HB ILE 53 2.538 -1.216 3.073 412 HG12 ILE 53 HG13 ILE 53 0.103 -1.069 2.773 413 HG13 ILE 53 HG12 ILE 53 -0.125 -1.369 4.491 414 HG21 ILE 53 HG21 ILE 53 2.643 -3.610 3.289 415 HG22 ILE 53 HG22 ILE 53 1.115 -3.200 2.516 416 HG23 ILE 53 HG23 ILE 53 1.145 -3.641 4.221 417 HD11 ILE 53 HD11 ILE 53 0.303 1.123 3.199 418 HD12 ILE 53 HD12 ILE 53 1.734 0.812 4.178 419 HD13 ILE 53 HD13 ILE 53 0.141 0.820 4.923 420 H SER 54 H SER 54 4.661 -2.684 4.459 421 HA SER 54 HA SER 54 4.067 -5.250 5.727 422 HB2 SER 54 HB3 SER 54 5.252 -5.327 3.646 423 HB3 SER 54 HB2 SER 54 6.464 -4.183 4.217 424 HG SER 54 HG SER 54 6.404 -6.850 4.459 425 H GLN 55 H GLN 55 6.208 -2.509 6.463 426 HA GLN 55 HA GLN 55 7.663 -3.871 8.548 427 HB2 GLN 55 HB3 GLN 55 7.178 -0.958 7.898 428 HB3 GLN 55 HB2 GLN 55 8.076 -1.426 9.340 429 HG2 GLN 55 HG3 GLN 55 8.798 -2.432 6.571 430 HG3 GLN 55 HG2 GLN 55 9.488 -0.963 7.261 431 HE21 GLN 55 HE22 GLN 55 10.381 -4.032 6.766 432 HE22 GLN 55 HE21 GLN 55 11.276 -4.345 8.174 433 H LEU 56 H LEU 56 4.650 -2.028 8.473 434 HA LEU 56 HA LEU 56 4.313 -2.313 11.409 435 HB2 LEU 56 HB3 LEU 56 2.829 -0.863 9.214 436 HB3 LEU 56 HB2 LEU 56 2.072 -1.110 10.787 437 HG LEU 56 HG LEU 56 3.865 0.076 11.909 438 HD11 LEU 56 HD11 LEU 56 5.162 0.087 9.171 439 HD12 LEU 56 HD12 LEU 56 5.811 -0.566 10.674 440 HD13 LEU 56 HD13 LEU 56 5.668 1.177 10.462 441 HD21 LEU 56 HD21 LEU 56 3.647 2.318 10.799 442 HD22 LEU 56 HD22 LEU 56 2.105 1.487 11.004 443 HD23 LEU 56 HD23 LEU 56 2.887 1.517 9.424 444 H PHE 57 H PHE 57 3.212 -3.753 8.408 445 HA PHE 57 HA PHE 57 1.469 -5.629 9.988 446 HB2 PHE 57 HB3 PHE 57 0.913 -5.055 7.080 447 HB3 PHE 57 HB2 PHE 57 -0.193 -5.585 8.343 448 HD1 PHE 57 HD2 PHE 57 0.122 -3.738 10.504 449 HD2 PHE 57 HD1 PHE 57 0.239 -2.931 6.286 450 HE1 PHE 57 HE2 PHE 57 -0.559 -1.394 10.932 451 HE2 PHE 57 HE1 PHE 57 -0.450 -0.592 6.721 452 HZ PHE 57 HZ PHE 57 -0.842 0.178 9.039 453 HA PRO 58 HA PRO 58 4.844 -7.777 7.411 454 HB2 PRO 58 HB2 PRO 58 6.228 -8.918 9.490 455 HB3 PRO 58 HB3 PRO 58 6.593 -7.295 8.867 456 HG2 PRO 58 HG3 PRO 58 4.936 -8.069 11.243 457 HG3 PRO 58 HG2 PRO 58 6.189 -6.817 11.111 458 HD2 PRO 58 HD3 PRO 58 3.560 -6.180 10.974 459 HD3 PRO 58 HD2 PRO 58 4.770 -5.326 9.988 460 H GLY 59 H GLY 59 2.082 -8.479 8.709 461 HA2 GLY 59 HA3 GLY 59 2.126 -11.274 8.001 462 HA3 GLY 59 HA2 GLY 59 2.076 -11.082 9.754 463 H MET 60 H MET 60 0.605 -8.465 8.208 464 HA MET 60 HA MET 60 -1.639 -7.771 8.181 465 HB2 MET 60 HB3 MET 60 -2.054 -10.644 7.293 466 HB3 MET 60 HB2 MET 60 -3.182 -9.311 7.051 467 HG2 MET 60 HG3 MET 60 -0.350 -9.332 5.971 468 HG3 MET 60 HG2 MET 60 -1.762 -9.821 5.035 469 HE1 MET 60 HE1 MET 60 0.538 -7.116 4.842 470 HE2 MET 60 HE2 MET 60 -0.564 -6.325 3.707 471 HE3 MET 60 HE3 MET 60 -0.316 -8.068 3.631 472 H THR 61 H THR 61 -1.327 -7.825 10.658 473 HA THR 61 HA THR 61 -2.360 -9.965 12.232 474 HB THR 61 HB THR 61 -1.037 -8.147 13.218 475 HG1 THR 61 HG1 THR 61 -3.193 -7.540 14.632 476 HG21 THR 61 HG21 THR 61 -1.906 -5.905 13.439 477 HG22 THR 61 HG22 THR 61 -3.454 -6.384 12.742 478 HG23 THR 61 HG23 THR 61 -2.005 -6.352 11.736 479 H GLY 62 H GLY 62 -4.452 -10.205 13.213 480 HA2 GLY 62 HA3 GLY 62 -6.665 -9.667 11.489 481 HA3 GLY 62 HA2 GLY 62 -6.798 -10.213 13.161 Start of MODEL 17 1 H2 PRO 1 H2 PRO 1 -16.144 -1.740 0.416 2 H3 PRO 1 H3 PRO 1 -16.241 -3.280 -0.306 3 HA PRO 1 HA PRO 1 -14.613 -3.922 1.049 4 HB2 PRO 1 HB2 PRO 1 -12.327 -2.567 0.305 5 HB3 PRO 1 HB3 PRO 1 -13.045 -3.865 -0.671 6 HG2 PRO 1 HG3 PRO 1 -13.202 -0.915 -1.052 7 HG3 PRO 1 HG2 PRO 1 -13.161 -2.210 -2.265 8 HD2 PRO 1 HD3 PRO 1 -15.474 -0.887 -1.498 9 HD3 PRO 1 HD2 PRO 1 -15.446 -2.506 -2.208 10 H GLU 2 H GLU 2 -16.172 -1.453 1.877 11 HA GLU 2 HA GLU 2 -14.540 0.437 3.193 12 HB2 GLU 2 HB3 GLU 2 -16.507 0.676 4.783 13 HB3 GLU 2 HB2 GLU 2 -16.905 0.829 3.072 14 HG2 GLU 2 HG3 GLU 2 -17.669 -1.488 2.998 15 HG3 GLU 2 HG2 GLU 2 -17.179 -1.731 4.675 16 H GLU 3 H GLU 3 -15.319 -2.859 4.054 17 HA GLU 3 HA GLU 3 -14.641 -2.803 6.812 18 HB2 GLU 3 HB3 GLU 3 -13.987 -5.142 5.007 19 HB3 GLU 3 HB2 GLU 3 -14.532 -5.167 6.687 20 HG2 GLU 3 HG3 GLU 3 -16.700 -4.113 5.879 21 HG3 GLU 3 HG2 GLU 3 -16.142 -4.424 4.235 22 H VAL 4 H VAL 4 -12.552 -3.802 4.071 23 HA VAL 4 HA VAL 4 -10.157 -3.923 5.596 24 HB VAL 4 HB VAL 4 -10.523 -3.232 2.663 25 HG11 VAL 4 HG11 VAL 4 -8.165 -4.153 2.513 26 HG12 VAL 4 HG12 VAL 4 -8.099 -4.092 4.274 27 HG13 VAL 4 HG13 VAL 4 -8.290 -2.604 3.345 28 HG21 VAL 4 HG21 VAL 4 -10.008 -5.851 4.102 29 HG22 VAL 4 HG22 VAL 4 -10.057 -5.647 2.351 30 HG23 VAL 4 HG23 VAL 4 -11.514 -5.384 3.311 31 H ILE 5 H ILE 5 -11.384 -1.254 3.542 32 HA ILE 5 HA ILE 5 -9.398 0.636 4.115 33 HB ILE 5 HB ILE 5 -12.366 1.136 3.794 34 HG12 ILE 5 HG13 ILE 5 -10.133 1.289 1.741 35 HG13 ILE 5 HG12 ILE 5 -11.176 -0.120 1.934 36 HG21 ILE 5 HG21 ILE 5 -11.516 3.404 3.005 37 HG22 ILE 5 HG22 ILE 5 -9.946 2.958 3.670 38 HG23 ILE 5 HG23 ILE 5 -11.346 3.104 4.732 39 HD11 ILE 5 HD11 ILE 5 -11.953 1.438 0.134 40 HD12 ILE 5 HD12 ILE 5 -12.189 2.681 1.362 41 HD13 ILE 5 HD13 ILE 5 -13.147 1.202 1.409 42 H SER 6 H SER 6 -11.937 -0.604 6.168 43 HA SER 6 HA SER 6 -11.854 1.539 8.113 44 HB2 SER 6 HB3 SER 6 -13.621 -0.360 7.861 45 HB3 SER 6 HB2 SER 6 -12.506 -1.326 8.820 46 HG SER 6 HG SER 6 -12.567 0.796 10.158 47 H LYS 7 H LYS 7 -10.037 -1.476 7.675 48 HA LYS 7 HA LYS 7 -8.629 -1.213 10.208 49 HB2 LYS 7 HB3 LYS 7 -7.557 -3.212 9.671 50 HB3 LYS 7 HB2 LYS 7 -9.051 -3.351 8.764 51 HG2 LYS 7 HG3 LYS 7 -7.655 -3.875 7.015 52 HG3 LYS 7 HG2 LYS 7 -7.464 -2.141 6.879 53 HD2 LYS 7 HD3 LYS 7 -5.263 -3.123 6.883 54 HD3 LYS 7 HD2 LYS 7 -5.476 -2.293 8.419 55 HE2 LYS 7 HE3 LYS 7 -5.439 -4.263 9.627 56 HE3 LYS 7 HE2 LYS 7 -6.285 -5.172 8.376 57 HZ1 LYS 7 HZ1 LYS 7 -4.363 -5.922 7.633 58 HZ2 LYS 7 HZ2 LYS 7 -3.558 -5.116 8.890 59 HZ3 LYS 7 HZ3 LYS 7 -3.784 -4.343 7.394 60 H ILE 8 H ILE 8 -8.046 -0.064 6.950 61 HA ILE 8 HA ILE 8 -5.262 0.525 7.205 62 HB ILE 8 HB ILE 8 -7.254 2.170 5.621 63 HG12 ILE 8 HG13 ILE 8 -7.609 -0.274 5.207 64 HG13 ILE 8 HG12 ILE 8 -7.053 0.596 3.789 65 HG21 ILE 8 HG21 ILE 8 -5.027 3.093 5.646 66 HG22 ILE 8 HG22 ILE 8 -5.303 2.365 4.064 67 HG23 ILE 8 HG23 ILE 8 -4.319 1.525 5.261 68 HD11 ILE 8 HD11 ILE 8 -5.346 -1.113 5.617 69 HD12 ILE 8 HD12 ILE 8 -4.750 -0.217 4.221 70 HD13 ILE 8 HD13 ILE 8 -5.889 -1.541 4.000 71 H MET 9 H MET 9 -8.064 2.100 8.533 72 HA MET 9 HA MET 9 -6.959 4.712 8.897 73 HB2 MET 9 HB3 MET 9 -8.793 5.130 10.334 74 HB3 MET 9 HB2 MET 9 -9.402 3.906 9.224 75 HG2 MET 9 HG3 MET 9 -8.573 2.195 11.026 76 HG3 MET 9 HG2 MET 9 -8.571 3.585 12.108 77 HE1 MET 9 HE1 MET 9 -10.332 3.081 13.762 78 HE2 MET 9 HE2 MET 9 -10.190 1.440 13.116 79 HE3 MET 9 HE3 MET 9 -11.780 2.140 13.413 80 H GLU 10 H GLU 10 -5.950 1.788 10.183 81 HA GLU 10 HA GLU 10 -5.326 2.367 12.867 82 HB2 GLU 10 HB3 GLU 10 -3.565 0.674 12.662 83 HB3 GLU 10 HB2 GLU 10 -5.027 0.146 11.831 84 HG2 GLU 10 HG3 GLU 10 -4.049 0.998 9.685 85 HG3 GLU 10 HG2 GLU 10 -2.551 1.344 10.551 86 H ASN 11 H ASN 11 -3.865 3.610 9.945 87 HA ASN 11 HA ASN 11 -2.082 5.302 11.618 88 HB2 ASN 11 HB3 ASN 11 -0.840 3.270 10.666 89 HB3 ASN 11 HB2 ASN 11 -1.114 3.967 9.070 90 HD21 ASN 11 HD22 ASN 11 1.150 3.857 11.530 91 HD22 ASN 11 HD21 ASN 11 1.964 5.312 11.216 92 HA PRO 12 HA PRO 12 -3.954 8.169 8.677 93 HB2 PRO 12 HB2 PRO 12 -2.699 10.472 9.409 94 HB3 PRO 12 HB3 PRO 12 -3.935 9.712 10.435 95 HG2 PRO 12 HG3 PRO 12 -0.951 9.563 10.654 96 HG3 PRO 12 HG2 PRO 12 -2.159 9.814 11.931 97 HD2 PRO 12 HD3 PRO 12 -1.021 7.368 11.441 98 HD3 PRO 12 HD2 PRO 12 -2.674 7.544 12.076 99 H ASP 13 H ASP 13 -0.700 7.267 8.837 100 HA ASP 13 HA ASP 13 0.397 8.918 6.730 101 HB2 ASP 13 HB3 ASP 13 1.709 7.655 8.504 102 HB3 ASP 13 HB2 ASP 13 1.342 6.175 7.618 103 H VAL 14 H VAL 14 -0.911 5.619 6.877 104 HA VAL 14 HA VAL 14 -0.583 5.140 4.022 105 HB VAL 14 HB VAL 14 -2.268 3.709 6.103 106 HG11 VAL 14 HG11 VAL 14 -1.395 2.941 3.305 107 HG12 VAL 14 HG12 VAL 14 -3.044 3.164 3.886 108 HG13 VAL 14 HG13 VAL 14 -2.085 1.806 4.466 109 HG21 VAL 14 HG21 VAL 14 0.461 2.957 5.012 110 HG22 VAL 14 HG22 VAL 14 -0.413 2.187 6.335 111 HG23 VAL 14 HG23 VAL 14 0.229 3.814 6.535 112 H ALA 15 H ALA 15 -3.209 6.100 6.172 113 HA ALA 15 HA ALA 15 -5.309 6.050 4.246 114 HB1 ALA 15 HB1 ALA 15 -5.002 7.984 6.553 115 HB2 ALA 15 HB2 ALA 15 -5.530 6.313 6.748 116 HB3 ALA 15 HB3 ALA 15 -6.505 7.441 5.806 117 H MET 16 H MET 16 -2.906 8.500 5.103 118 HA MET 16 HA MET 16 -3.998 10.527 3.316 119 HB2 MET 16 HB3 MET 16 -2.550 10.959 5.367 120 HB3 MET 16 HB2 MET 16 -1.184 10.347 4.439 121 HG2 MET 16 HG3 MET 16 -2.922 12.600 3.394 122 HG3 MET 16 HG2 MET 16 -1.543 12.904 4.447 123 HE1 MET 16 HE1 MET 16 -0.245 14.398 2.512 124 HE2 MET 16 HE2 MET 16 -1.886 14.206 1.880 125 HE3 MET 16 HE3 MET 16 -0.496 13.943 0.829 126 H ALA 17 H ALA 17 -1.507 8.043 3.206 127 HA ALA 17 HA ALA 17 -0.445 8.812 0.624 128 HB1 ALA 17 HB1 ALA 17 -0.400 6.035 1.838 129 HB2 ALA 17 HB2 ALA 17 0.684 7.319 2.372 130 HB3 ALA 17 HB3 ALA 17 0.755 6.741 0.708 131 H PHE 18 H PHE 18 -3.057 6.784 1.780 132 HA PHE 18 HA PHE 18 -3.664 5.366 -0.612 133 HB2 PHE 18 HB3 PHE 18 -5.076 6.165 1.875 134 HB3 PHE 18 HB2 PHE 18 -6.140 5.869 0.508 135 HD1 PHE 18 HD1 PHE 18 -2.884 4.179 1.276 136 HD2 PHE 18 HD2 PHE 18 -7.166 3.807 1.111 137 HE1 PHE 18 HE1 PHE 18 -2.693 1.742 1.673 138 HE2 PHE 18 HE2 PHE 18 -6.967 1.372 1.512 139 HZ PHE 18 HZ PHE 18 -4.732 0.337 1.787 140 H GLN 19 H GLN 19 -3.938 8.715 0.183 141 HA GLN 19 HA GLN 19 -5.929 9.322 -1.894 142 HB2 GLN 19 HB3 GLN 19 -4.156 11.189 -0.291 143 HB3 GLN 19 HB2 GLN 19 -5.568 11.649 -1.242 144 HG2 GLN 19 HG3 GLN 19 -6.983 10.202 0.202 145 HG3 GLN 19 HG2 GLN 19 -5.566 9.828 1.183 146 HE21 GLN 19 HE22 GLN 19 -6.813 12.919 -0.218 147 HE22 GLN 19 HE21 GLN 19 -6.793 13.761 1.256 148 H ASN 20 H ASN 20 -3.117 8.107 -2.425 149 HA ASN 20 HA ASN 20 -2.161 10.152 -4.394 150 HB2 ASN 20 HB3 ASN 20 -0.763 7.857 -2.991 151 HB3 ASN 20 HB2 ASN 20 -0.059 8.668 -4.386 152 HD21 ASN 20 HD22 ASN 20 -1.737 9.763 -1.370 153 HD22 ASN 20 HD21 ASN 20 -0.579 10.944 -0.988 154 HA PRO 21 HA PRO 21 -3.808 7.350 -7.432 155 HB2 PRO 21 HB2 PRO 21 -2.427 8.123 -9.673 156 HB3 PRO 21 HB3 PRO 21 -3.711 9.113 -8.948 157 HG2 PRO 21 HG3 PRO 21 -0.742 9.355 -8.634 158 HG3 PRO 21 HG2 PRO 21 -1.948 10.628 -8.909 159 HD2 PRO 21 HD3 PRO 21 -0.945 10.107 -6.426 160 HD3 PRO 21 HD2 PRO 21 -2.618 10.666 -6.668 161 H ARG 22 H ARG 22 -0.250 7.695 -7.527 162 HA ARG 22 HA ARG 22 0.306 5.212 -8.798 163 HB2 ARG 22 HB3 ARG 22 1.883 6.887 -6.825 164 HB3 ARG 22 HB2 ARG 22 2.548 5.433 -7.568 165 HG2 ARG 22 HG3 ARG 22 2.877 6.468 -9.590 166 HG3 ARG 22 HG2 ARG 22 1.319 7.287 -9.529 167 HD2 ARG 22 HD3 ARG 22 3.343 8.816 -9.469 168 HD3 ARG 22 HD2 ARG 22 2.195 9.045 -8.151 169 HE ARG 22 HE ARG 22 4.086 7.197 -7.206 170 HH11 ARG 22 HH22 ARG 22 3.984 10.421 -8.436 171 HH12 ARG 22 HH21 ARG 22 5.337 10.962 -7.499 172 HH21 ARG 22 HH11 ARG 22 5.852 7.892 -5.976 173 HH22 ARG 22 HH12 ARG 22 6.393 9.531 -6.109 174 H VAL 23 H VAL 23 -0.482 6.013 -5.475 175 HA VAL 23 HA VAL 23 0.245 3.412 -4.385 176 HB VAL 23 HB VAL 23 -1.521 5.634 -3.312 177 HG11 VAL 23 HG11 VAL 23 -1.085 4.431 -1.096 178 HG12 VAL 23 HG12 VAL 23 -0.546 3.053 -2.057 179 HG13 VAL 23 HG13 VAL 23 -2.207 3.627 -2.193 180 HG21 VAL 23 HG21 VAL 23 1.332 4.795 -2.711 181 HG22 VAL 23 HG22 VAL 23 0.460 6.086 -1.884 182 HG23 VAL 23 HG23 VAL 23 0.850 6.238 -3.599 183 H GLN 24 H GLN 24 -2.898 4.990 -5.119 184 HA GLN 24 HA GLN 24 -4.550 2.755 -4.591 185 HB2 GLN 24 HB3 GLN 24 -5.371 5.066 -5.141 186 HB3 GLN 24 HB2 GLN 24 -4.932 4.777 -6.825 187 HG2 GLN 24 HG3 GLN 24 -6.483 2.908 -6.960 188 HG3 GLN 24 HG2 GLN 24 -6.851 3.046 -5.241 189 HE21 GLN 24 HE22 GLN 24 -9.001 3.793 -5.226 190 HE22 GLN 24 HE21 GLN 24 -9.535 5.177 -6.052 191 H ALA 25 H ALA 25 -2.572 3.575 -7.369 192 HA ALA 25 HA ALA 25 -3.517 1.389 -9.044 193 HB1 ALA 25 HB1 ALA 25 -0.999 3.083 -9.173 194 HB2 ALA 25 HB2 ALA 25 -2.504 3.402 -10.034 195 HB3 ALA 25 HB3 ALA 25 -1.541 1.981 -10.439 196 H ALA 26 H ALA 26 -1.051 1.853 -6.603 197 HA ALA 26 HA ALA 26 0.465 -0.530 -7.223 198 HB1 ALA 26 HB1 ALA 26 0.263 0.795 -4.506 199 HB2 ALA 26 HB2 ALA 26 1.229 1.472 -5.816 200 HB3 ALA 26 HB3 ALA 26 1.618 -0.120 -5.170 201 H LEU 27 H LEU 27 -2.097 0.205 -4.841 202 HA LEU 27 HA LEU 27 -2.222 -2.525 -3.859 203 HB2 LEU 27 HB3 LEU 27 -3.978 -0.080 -3.594 204 HB3 LEU 27 HB2 LEU 27 -4.558 -1.644 -3.026 205 HG LEU 27 HG LEU 27 -2.548 -1.859 -1.593 206 HD11 LEU 27 HD11 LEU 27 -0.920 -0.568 -2.792 207 HD12 LEU 27 HD12 LEU 27 -1.184 0.267 -1.265 208 HD13 LEU 27 HD13 LEU 27 -1.930 0.876 -2.742 209 HD21 LEU 27 HD21 LEU 27 -4.140 0.702 -1.266 210 HD22 LEU 27 HD22 LEU 27 -3.161 -0.032 0.003 211 HD23 LEU 27 HD23 LEU 27 -4.567 -0.887 -0.632 212 H MET 28 H MET 28 -4.170 -0.609 -6.159 213 HA MET 28 HA MET 28 -6.042 -2.651 -6.807 214 HB2 MET 28 HB3 MET 28 -6.225 -0.250 -7.515 215 HB3 MET 28 HB2 MET 28 -4.929 -0.535 -8.677 216 HG2 MET 28 HG3 MET 28 -6.262 -2.200 -9.839 217 HG3 MET 28 HG2 MET 28 -7.527 -2.098 -8.615 218 HE1 MET 28 HE1 MET 28 -8.579 -0.019 -7.901 219 HE2 MET 28 HE2 MET 28 -9.715 -0.553 -9.147 220 HE3 MET 28 HE3 MET 28 -9.256 1.144 -9.038 221 H GLU 29 H GLU 29 -2.832 -1.897 -8.129 222 HA GLU 29 HA GLU 29 -2.915 -4.023 -10.111 223 HB2 GLU 29 HB3 GLU 29 -1.448 -2.025 -10.336 224 HB3 GLU 29 HB2 GLU 29 -0.524 -2.568 -8.935 225 HG2 GLU 29 HG3 GLU 29 0.159 -4.587 -10.088 226 HG3 GLU 29 HG2 GLU 29 -0.908 -4.225 -11.446 227 H CYS 30 H CYS 30 -2.043 -3.780 -6.729 228 HA CYS 30 HA CYS 30 -0.364 -6.060 -6.492 229 HB2 CYS 30 HB3 CYS 30 -0.914 -4.374 -4.673 230 HB3 CYS 30 HB2 CYS 30 -2.446 -5.219 -4.455 231 HG CYS 30 HG CYS 30 -0.271 -6.113 -2.947 232 H SER 31 H SER 31 -3.886 -5.815 -6.694 233 HA SER 31 HA SER 31 -4.641 -8.377 -5.932 234 HB2 SER 31 HB3 SER 31 -6.587 -8.096 -7.379 235 HB3 SER 31 HB2 SER 31 -6.215 -6.565 -6.592 236 HG SER 31 HG SER 31 -6.077 -7.293 -9.247 237 H GLU 32 H GLU 32 -2.953 -7.353 -8.811 238 HA GLU 32 HA GLU 32 -3.418 -9.732 -10.376 239 HB2 GLU 32 HB3 GLU 32 -1.162 -7.704 -10.458 240 HB3 GLU 32 HB2 GLU 32 -1.432 -8.951 -11.676 241 HG2 GLU 32 HG3 GLU 32 -3.700 -8.024 -12.095 242 HG3 GLU 32 HG2 GLU 32 -3.373 -6.744 -10.926 243 H ASN 33 H ASN 33 -0.559 -8.669 -8.498 244 HA ASN 33 HA ASN 33 -0.062 -11.139 -7.231 245 HB2 ASN 33 HB3 ASN 33 0.795 -10.999 -10.066 246 HB3 ASN 33 HB2 ASN 33 2.097 -11.466 -8.983 247 HD21 ASN 33 HD22 ASN 33 0.663 -13.148 -10.990 248 HD22 ASN 33 HD21 ASN 33 0.015 -14.453 -10.120 249 HA PRO 34 HA PRO 34 2.990 -8.723 -5.139 250 HB2 PRO 34 HB2 PRO 34 5.237 -10.445 -5.186 251 HB3 PRO 34 HB3 PRO 34 3.958 -10.439 -3.958 252 HG2 PRO 34 HG3 PRO 34 4.275 -12.196 -6.347 253 HG3 PRO 34 HG2 PRO 34 3.665 -12.590 -4.728 254 HD2 PRO 34 HD3 PRO 34 1.968 -12.286 -6.783 255 HD3 PRO 34 HD2 PRO 34 1.536 -11.682 -5.168 256 H MET 35 H MET 35 3.366 -9.684 -8.360 257 HA MET 35 HA MET 35 5.964 -8.613 -8.960 258 HB2 MET 35 HB3 MET 35 3.520 -8.867 -10.745 259 HB3 MET 35 HB2 MET 35 5.171 -8.595 -11.300 260 HG2 MET 35 HG3 MET 35 4.360 -10.990 -9.631 261 HG3 MET 35 HG2 MET 35 4.404 -11.011 -11.392 262 HE1 MET 35 HE1 MET 35 6.680 -11.888 -12.622 263 HE2 MET 35 HE2 MET 35 7.936 -10.656 -12.440 264 HE3 MET 35 HE3 MET 35 6.265 -10.180 -12.727 265 H ASN 36 H ASN 36 3.149 -7.111 -7.923 266 HA ASN 36 HA ASN 36 3.101 -4.724 -9.459 267 HB2 ASN 36 HB3 ASN 36 2.061 -3.715 -7.363 268 HB3 ASN 36 HB2 ASN 36 1.270 -5.169 -7.967 269 HD21 ASN 36 HD22 ASN 36 1.441 -7.121 -6.691 270 HD22 ASN 36 HD21 ASN 36 2.097 -7.119 -5.126 271 H ILE 37 H ILE 37 4.566 -5.243 -6.248 272 HA ILE 37 HA ILE 37 5.886 -2.750 -6.144 273 HB ILE 37 HB ILE 37 5.488 -4.525 -4.285 274 HG12 ILE 37 HG13 ILE 37 7.520 -3.720 -3.021 275 HG13 ILE 37 HG12 ILE 37 8.101 -2.996 -4.518 276 HG21 ILE 37 HG21 ILE 37 7.196 -6.134 -3.879 277 HG22 ILE 37 HG22 ILE 37 8.256 -5.438 -5.104 278 HG23 ILE 37 HG23 ILE 37 6.792 -6.296 -5.587 279 HD11 ILE 37 HD11 ILE 37 6.579 -1.281 -4.435 280 HD12 ILE 37 HD12 ILE 37 6.585 -1.650 -2.715 281 HD13 ILE 37 HD13 ILE 37 5.305 -2.286 -3.744 282 H MET 38 H MET 38 6.889 -5.811 -7.577 283 HA MET 38 HA MET 38 9.622 -5.221 -8.027 284 HB2 MET 38 HB3 MET 38 7.635 -6.803 -9.685 285 HB3 MET 38 HB2 MET 38 9.365 -6.767 -10.021 286 HG2 MET 38 HG3 MET 38 9.773 -7.570 -7.673 287 HG3 MET 38 HG2 MET 38 8.030 -7.747 -7.482 288 HE1 MET 38 HE1 MET 38 11.245 -9.317 -8.416 289 HE2 MET 38 HE2 MET 38 10.941 -8.572 -9.991 290 HE3 MET 38 HE3 MET 38 10.957 -10.326 -9.831 291 H LYS 39 H LYS 39 6.808 -3.758 -9.310 292 HA LYS 39 HA LYS 39 8.285 -2.572 -11.624 293 HB2 LYS 39 HB3 LYS 39 5.345 -2.516 -10.871 294 HB3 LYS 39 HB2 LYS 39 6.039 -1.747 -12.300 295 HG2 LYS 39 HG3 LYS 39 6.706 -3.858 -13.226 296 HG3 LYS 39 HG2 LYS 39 6.355 -4.704 -11.719 297 HD2 LYS 39 HD3 LYS 39 4.568 -5.061 -13.396 298 HD3 LYS 39 HD2 LYS 39 3.963 -4.215 -11.974 299 HE2 LYS 39 HE3 LYS 39 4.944 -2.638 -14.353 300 HE3 LYS 39 HE2 LYS 39 3.314 -3.310 -14.346 301 HZ1 LYS 39 HZ1 LYS 39 4.252 -1.011 -13.046 302 HZ2 LYS 39 HZ2 LYS 39 3.757 -2.120 -11.863 303 HZ3 LYS 39 HZ3 LYS 39 2.674 -1.638 -13.079 304 H TYR 40 H TYR 40 6.307 -1.608 -8.797 305 HA TYR 40 HA TYR 40 6.904 1.211 -9.138 306 HB2 TYR 40 HB3 TYR 40 5.830 -0.279 -6.723 307 HB3 TYR 40 HB2 TYR 40 5.773 1.457 -6.990 308 HD1 TYR 40 HD1 TYR 40 4.699 2.262 -9.214 309 HD2 TYR 40 HD2 TYR 40 3.985 -1.587 -7.449 310 HE1 TYR 40 HE1 TYR 40 2.610 2.051 -10.530 311 HE2 TYR 40 HE2 TYR 40 1.896 -1.799 -8.768 312 HH TYR 40 HH TYR 40 0.709 -0.936 -10.486 313 H GLN 41 H GLN 41 8.921 -1.207 -8.429 314 HA GLN 41 HA GLN 41 10.223 -0.581 -6.014 315 HB2 GLN 41 HB3 GLN 41 12.292 -1.488 -7.164 316 HB3 GLN 41 HB2 GLN 41 10.879 -2.540 -7.249 317 HG2 GLN 41 HG3 GLN 41 10.377 -1.753 -9.504 318 HG3 GLN 41 HG2 GLN 41 11.712 -0.603 -9.428 319 HE21 GLN 41 HE22 GLN 41 13.772 -1.364 -10.028 320 HE22 GLN 41 HE21 GLN 41 14.133 -2.994 -10.336 321 H ASN 42 H ASN 42 10.221 1.113 -9.066 322 HA ASN 42 HA ASN 42 12.485 2.849 -8.322 323 HB2 ASN 42 HB3 ASN 42 10.526 2.974 -10.638 324 HB3 ASN 42 HB2 ASN 42 11.942 4.010 -10.451 325 HD21 ASN 42 HD22 ASN 42 13.752 1.991 -9.418 326 HD22 ASN 42 HD21 ASN 42 14.067 0.893 -10.673 327 H ASP 43 H ASP 43 9.011 2.804 -8.060 328 HA ASP 43 HA ASP 43 8.755 5.690 -7.633 329 HB2 ASP 43 HB3 ASP 43 6.936 4.081 -8.508 330 HB3 ASP 43 HB2 ASP 43 6.744 3.571 -6.834 331 H LYS 44 H LYS 44 10.273 6.046 -5.910 332 HA LYS 44 HA LYS 44 10.542 4.668 -3.532 333 HB2 LYS 44 HB3 LYS 44 11.882 6.666 -4.328 334 HB3 LYS 44 HB2 LYS 44 10.585 7.689 -3.710 335 HG2 LYS 44 HG3 LYS 44 10.891 6.511 -1.465 336 HG3 LYS 44 HG2 LYS 44 12.356 5.796 -2.137 337 HD2 LYS 44 HD3 LYS 44 11.787 8.765 -1.867 338 HD3 LYS 44 HD2 LYS 44 12.901 7.830 -0.871 339 HE2 LYS 44 HE3 LYS 44 14.342 8.788 -2.461 340 HE3 LYS 44 HE2 LYS 44 14.020 7.207 -3.171 341 HZ1 LYS 44 HZ1 LYS 44 13.549 9.680 -4.304 342 HZ2 LYS 44 HZ2 LYS 44 12.016 9.066 -3.917 343 HZ3 LYS 44 HZ3 LYS 44 13.065 8.167 -4.906 344 H GLU 45 H GLU 45 7.942 6.851 -4.451 345 HA GLU 45 HA GLU 45 6.867 7.282 -1.833 346 HB2 GLU 45 HB3 GLU 45 6.230 8.518 -3.965 347 HB3 GLU 45 HB2 GLU 45 5.273 7.106 -4.409 348 HG2 GLU 45 HG3 GLU 45 3.772 8.646 -3.334 349 HG3 GLU 45 HG2 GLU 45 4.072 7.347 -2.180 350 H VAL 46 H VAL 46 5.998 4.879 -4.329 351 HA VAL 46 HA VAL 46 4.082 3.487 -2.721 352 HB VAL 46 HB VAL 46 5.789 2.416 -4.981 353 HG11 VAL 46 HG11 VAL 46 4.745 0.599 -3.779 354 HG12 VAL 46 HG12 VAL 46 3.821 0.854 -5.258 355 HG13 VAL 46 HG13 VAL 46 3.206 1.460 -3.720 356 HG21 VAL 46 HG21 VAL 46 2.993 3.588 -5.076 357 HG22 VAL 46 HG22 VAL 46 3.960 3.050 -6.448 358 HG23 VAL 46 HG23 VAL 46 4.446 4.475 -5.532 359 H MET 47 H MET 47 7.570 3.276 -3.013 360 HA MET 47 HA MET 47 7.890 0.741 -1.706 361 HB2 MET 47 HB3 MET 47 9.738 3.143 -1.881 362 HB3 MET 47 HB2 MET 47 10.215 1.586 -1.206 363 HG2 MET 47 HG3 MET 47 9.094 1.892 -4.004 364 HG3 MET 47 HG2 MET 47 10.821 1.930 -3.651 365 HE1 MET 47 HE1 MET 47 11.967 0.312 -2.234 366 HE2 MET 47 HE2 MET 47 12.230 -0.402 -3.831 367 HE3 MET 47 HE3 MET 47 11.813 -1.428 -2.461 368 H ASP 48 H ASP 48 7.797 4.074 -0.514 369 HA ASP 48 HA ASP 48 8.250 3.433 2.243 370 HB2 ASP 48 HB3 ASP 48 6.958 5.739 0.773 371 HB3 ASP 48 HB2 ASP 48 6.974 5.697 2.536 372 H VAL 49 H VAL 49 5.378 3.483 0.218 373 HA VAL 49 HA VAL 49 3.494 3.187 2.417 374 HB VAL 49 HB VAL 49 3.270 2.786 -0.578 375 HG11 VAL 49 HG11 VAL 49 1.512 1.473 0.363 376 HG12 VAL 49 HG12 VAL 49 0.770 3.009 -0.076 377 HG13 VAL 49 HG13 VAL 49 1.178 2.679 1.606 378 HG21 VAL 49 HG21 VAL 49 2.174 4.969 -0.517 379 HG22 VAL 49 HG22 VAL 49 3.767 5.084 0.226 380 HG23 VAL 49 HG23 VAL 49 2.327 5.020 1.237 381 H PHE 50 H PHE 50 4.562 1.001 -0.180 382 HA PHE 50 HA PHE 50 3.275 -1.276 0.974 383 HB2 PHE 50 HB3 PHE 50 4.822 -0.668 -1.411 384 HB3 PHE 50 HB2 PHE 50 5.350 -2.207 -0.730 385 HD1 PHE 50 HD1 PHE 50 3.320 -3.709 0.211 386 HD2 PHE 50 HD2 PHE 50 2.981 -0.753 -2.885 387 HE1 PHE 50 HE1 PHE 50 1.231 -4.772 -0.577 388 HE2 PHE 50 HE2 PHE 50 0.898 -1.822 -3.678 389 HZ PHE 50 HZ PHE 50 0.019 -3.837 -2.529 390 H ASN 51 H ASN 51 6.357 0.229 1.512 391 HA ASN 51 HA ASN 51 7.499 -2.106 2.889 392 HB2 ASN 51 HB3 ASN 51 8.978 -0.411 1.822 393 HB3 ASN 51 HB2 ASN 51 8.383 0.800 2.962 394 HD21 ASN 51 HD22 ASN 51 9.856 -2.500 3.005 395 HD22 ASN 51 HD21 ASN 51 10.781 -2.223 4.401 396 H LYS 52 H LYS 52 5.502 0.655 3.641 397 HA LYS 52 HA LYS 52 5.916 0.461 6.544 398 HB2 LYS 52 HB3 LYS 52 5.233 2.600 5.493 399 HB3 LYS 52 HB2 LYS 52 3.746 1.845 4.926 400 HG2 LYS 52 HG3 LYS 52 2.966 1.493 7.169 401 HG3 LYS 52 HG2 LYS 52 4.521 1.963 7.851 402 HD2 LYS 52 HD3 LYS 52 3.029 3.935 6.118 403 HD3 LYS 52 HD2 LYS 52 2.515 3.704 7.786 404 HE2 LYS 52 HE3 LYS 52 5.324 4.455 6.911 405 HE3 LYS 52 HE2 LYS 52 4.137 5.554 7.607 406 HZ1 LYS 52 HZ1 LYS 52 4.065 3.910 9.526 407 HZ2 LYS 52 HZ2 LYS 52 5.440 4.895 9.398 408 HZ3 LYS 52 HZ3 LYS 52 5.508 3.275 8.891 409 H ILE 53 H ILE 53 3.549 -0.473 4.150 410 HA ILE 53 HA ILE 53 1.601 -1.636 5.844 411 HB ILE 53 HB ILE 53 2.321 -1.599 2.990 412 HG12 ILE 53 HG13 ILE 53 -0.052 -1.303 2.686 413 HG13 ILE 53 HG12 ILE 53 -0.371 -1.841 4.332 414 HG21 ILE 53 HG21 ILE 53 0.926 -4.041 4.094 415 HG22 ILE 53 HG22 ILE 53 2.402 -3.994 3.125 416 HG23 ILE 53 HG23 ILE 53 0.859 -3.554 2.401 417 HD11 ILE 53 HD11 ILE 53 0.172 0.178 5.228 418 HD12 ILE 53 HD12 ILE 53 -0.129 0.778 3.601 419 HD13 ILE 53 HD13 ILE 53 1.519 0.432 4.119 420 H SER 54 H SER 54 4.586 -2.907 4.495 421 HA SER 54 HA SER 54 4.039 -5.630 5.436 422 HB2 SER 54 HB3 SER 54 5.403 -5.043 3.391 423 HB3 SER 54 HB2 SER 54 6.669 -4.480 4.477 424 HG SER 54 HG SER 54 5.515 -7.043 4.755 425 H GLN 55 H GLN 55 5.874 -2.861 6.607 426 HA GLN 55 HA GLN 55 7.237 -4.443 8.678 427 HB2 GLN 55 HB3 GLN 55 7.113 -1.471 8.115 428 HB3 GLN 55 HB2 GLN 55 8.066 -2.175 9.421 429 HG2 GLN 55 HG3 GLN 55 8.359 -3.030 6.525 430 HG3 GLN 55 HG2 GLN 55 9.336 -1.756 7.252 431 HE21 GLN 55 HE22 GLN 55 9.267 -5.085 6.679 432 HE22 GLN 55 HE21 GLN 55 10.398 -5.568 7.849 433 H LEU 56 H LEU 56 4.567 -2.075 8.631 434 HA LEU 56 HA LEU 56 4.280 -2.234 11.559 435 HB2 LEU 56 HB3 LEU 56 2.796 -0.805 9.352 436 HB3 LEU 56 HB2 LEU 56 2.122 -0.874 10.979 437 HG LEU 56 HG LEU 56 4.166 0.142 11.890 438 HD11 LEU 56 HD11 LEU 56 5.896 -0.615 10.456 439 HD12 LEU 56 HD12 LEU 56 5.797 1.115 10.137 440 HD13 LEU 56 HD13 LEU 56 5.074 -0.032 9.009 441 HD21 LEU 56 HD21 LEU 56 3.954 2.384 10.720 442 HD22 LEU 56 HD22 LEU 56 2.426 1.685 11.254 443 HD23 LEU 56 HD23 LEU 56 2.888 1.598 9.556 444 H PHE 57 H PHE 57 3.553 -4.400 9.231 445 HA PHE 57 HA PHE 57 1.126 -5.407 10.695 446 HB2 PHE 57 HB3 PHE 57 1.725 -5.615 7.734 447 HB3 PHE 57 HB2 PHE 57 0.332 -6.308 8.546 448 HD1 PHE 57 HD2 PHE 57 2.070 -2.950 8.209 449 HD2 PHE 57 HD1 PHE 57 -1.664 -5.072 8.532 450 HE1 PHE 57 HE2 PHE 57 0.835 -0.825 7.972 451 HE2 PHE 57 HE1 PHE 57 -2.885 -2.933 8.285 452 HZ PHE 57 HZ PHE 57 -1.640 -0.813 8.008 453 HA PRO 58 HA PRO 58 4.677 -8.541 10.382 454 HB2 PRO 58 HB2 PRO 58 5.165 -8.844 13.063 455 HB3 PRO 58 HB3 PRO 58 5.959 -7.596 12.080 456 HG2 PRO 58 HG3 PRO 58 3.568 -7.343 13.869 457 HG3 PRO 58 HG2 PRO 58 4.982 -6.278 13.731 458 HD2 PRO 58 HD3 PRO 58 2.631 -5.678 12.506 459 HD3 PRO 58 HD2 PRO 58 4.198 -5.266 11.771 460 H GLY 59 H GLY 59 2.323 -8.481 13.095 461 HA2 GLY 59 HA3 GLY 59 1.955 -11.345 13.076 462 HA3 GLY 59 HA2 GLY 59 0.920 -10.184 13.909 463 H MET 60 H MET 60 0.809 -8.850 11.053 464 HA MET 60 HA MET 60 -0.829 -8.795 9.373 465 HB2 MET 60 HB3 MET 60 0.596 -10.725 8.622 466 HB3 MET 60 HB2 MET 60 -0.508 -11.809 9.468 467 HG2 MET 60 HG3 MET 60 -2.369 -11.072 8.076 468 HG3 MET 60 HG2 MET 60 -1.343 -9.873 7.289 469 HE1 MET 60 HE1 MET 60 -2.885 -11.461 5.504 470 HE2 MET 60 HE2 MET 60 -1.791 -12.259 4.366 471 HE3 MET 60 HE3 MET 60 -1.516 -10.581 4.828 472 H THR 61 H THR 61 -2.658 -8.080 10.507 473 HA THR 61 HA THR 61 -4.219 -9.691 12.276 474 HB THR 61 HB THR 61 -5.917 -7.973 12.068 475 HG1 THR 61 HG1 THR 61 -4.480 -7.319 9.721 476 HG21 THR 61 HG21 THR 61 -3.819 -7.378 13.259 477 HG22 THR 61 HG22 THR 61 -4.577 -5.974 12.507 478 HG23 THR 61 HG23 THR 61 -3.172 -6.727 11.753 479 H GLY 62 H GLY 62 -3.725 -10.069 9.000 480 HA2 GLY 62 HA3 GLY 62 -6.316 -10.703 8.003 481 HA3 GLY 62 HA2 GLY 62 -4.809 -11.370 7.374 Start of MODEL 18 1 H2 PRO 1 H2 PRO 1 -12.026 -1.324 0.907 2 H3 PRO 1 H3 PRO 1 -12.687 -1.619 -0.635 3 HA PRO 1 HA PRO 1 -14.575 -2.189 0.366 4 HB2 PRO 1 HB2 PRO 1 -14.095 -4.492 1.815 5 HB3 PRO 1 HB3 PRO 1 -14.208 -4.461 0.043 6 HG2 PRO 1 HG3 PRO 1 -11.791 -4.583 1.776 7 HG3 PRO 1 HG2 PRO 1 -12.067 -5.290 0.172 8 HD2 PRO 1 HD3 PRO 1 -10.605 -2.976 0.605 9 HD3 PRO 1 HD2 PRO 1 -11.395 -3.378 -0.925 10 H GLU 2 H GLU 2 -15.783 -2.022 2.334 11 HA GLU 2 HA GLU 2 -14.684 -0.360 4.352 12 HB2 GLU 2 HB3 GLU 2 -17.036 -2.253 4.645 13 HB3 GLU 2 HB2 GLU 2 -16.721 -0.810 5.609 14 HG2 GLU 2 HG3 GLU 2 -16.920 0.589 3.585 15 HG3 GLU 2 HG2 GLU 2 -17.242 -0.852 2.621 16 H GLU 3 H GLU 3 -14.654 -3.829 3.983 17 HA GLU 3 HA GLU 3 -14.113 -4.538 6.704 18 HB2 GLU 3 HB3 GLU 3 -14.771 -6.186 4.984 19 HB3 GLU 3 HB2 GLU 3 -13.237 -5.928 4.153 20 HG2 GLU 3 HG3 GLU 3 -11.986 -6.805 6.017 21 HG3 GLU 3 HG2 GLU 3 -13.426 -6.843 7.036 22 H VAL 4 H VAL 4 -11.809 -4.254 3.962 23 HA VAL 4 HA VAL 4 -9.521 -4.291 5.760 24 HB VAL 4 HB VAL 4 -9.709 -3.529 2.832 25 HG11 VAL 4 HG11 VAL 4 -7.361 -4.146 4.652 26 HG12 VAL 4 HG12 VAL 4 -7.655 -2.654 3.757 27 HG13 VAL 4 HG13 VAL 4 -7.247 -4.134 2.892 28 HG21 VAL 4 HG21 VAL 4 -8.962 -5.835 2.448 29 HG22 VAL 4 HG22 VAL 4 -10.466 -5.832 3.369 30 HG23 VAL 4 HG23 VAL 4 -8.931 -6.128 4.187 31 H ILE 5 H ILE 5 -11.039 -1.742 3.758 32 HA ILE 5 HA ILE 5 -9.369 0.393 4.414 33 HB ILE 5 HB ILE 5 -12.380 0.425 4.092 34 HG12 ILE 5 HG13 ILE 5 -10.196 1.076 2.085 35 HG13 ILE 5 HG12 ILE 5 -10.961 -0.508 2.195 36 HG21 ILE 5 HG21 ILE 5 -11.737 2.492 5.136 37 HG22 ILE 5 HG22 ILE 5 -11.910 2.846 3.421 38 HG23 ILE 5 HG23 ILE 5 -10.305 2.637 4.118 39 HD11 ILE 5 HD11 ILE 5 -12.394 2.112 1.663 40 HD12 ILE 5 HD12 ILE 5 -13.169 0.534 1.799 41 HD13 ILE 5 HD13 ILE 5 -12.058 0.859 0.468 42 H SER 6 H SER 6 -11.643 -1.278 6.436 43 HA SER 6 HA SER 6 -11.879 0.792 8.452 44 HB2 SER 6 HB3 SER 6 -13.556 -0.926 8.450 45 HB3 SER 6 HB2 SER 6 -12.343 -2.200 8.503 46 HG SER 6 HG SER 6 -13.405 -1.602 10.551 47 H LYS 7 H LYS 7 -9.697 -1.947 7.906 48 HA LYS 7 HA LYS 7 -8.332 -1.607 10.454 49 HB2 LYS 7 HB3 LYS 7 -7.083 -3.472 9.877 50 HB3 LYS 7 HB2 LYS 7 -8.492 -3.713 8.857 51 HG2 LYS 7 HG3 LYS 7 -6.847 -4.033 7.258 52 HG3 LYS 7 HG2 LYS 7 -7.021 -2.296 7.104 53 HD2 LYS 7 HD3 LYS 7 -4.719 -2.380 7.367 54 HD3 LYS 7 HD2 LYS 7 -5.158 -2.327 9.070 55 HE2 LYS 7 HE3 LYS 7 -4.420 -4.753 7.416 56 HE3 LYS 7 HE2 LYS 7 -3.607 -4.133 8.852 57 HZ1 LYS 7 HZ1 LYS 7 -6.338 -5.295 8.750 58 HZ2 LYS 7 HZ2 LYS 7 -5.604 -4.650 10.136 59 HZ3 LYS 7 HZ3 LYS 7 -4.956 -6.038 9.401 60 H ILE 8 H ILE 8 -7.888 -0.281 7.229 61 HA ILE 8 HA ILE 8 -5.200 0.610 7.506 62 HB ILE 8 HB ILE 8 -7.376 2.146 6.057 63 HG12 ILE 8 HG13 ILE 8 -7.415 -0.323 5.478 64 HG13 ILE 8 HG12 ILE 8 -7.087 0.748 4.127 65 HG21 ILE 8 HG21 ILE 8 -4.386 1.874 5.681 66 HG22 ILE 8 HG22 ILE 8 -5.285 3.322 6.130 67 HG23 ILE 8 HG23 ILE 8 -5.452 2.649 4.509 68 HD11 ILE 8 HD11 ILE 8 -4.945 -0.713 5.694 69 HD12 ILE 8 HD12 ILE 8 -4.719 0.233 4.226 70 HD13 ILE 8 HD13 ILE 8 -5.626 -1.275 4.175 71 H MET 9 H MET 9 -8.182 1.864 8.839 72 HA MET 9 HA MET 9 -7.387 4.503 9.463 73 HB2 MET 9 HB3 MET 9 -9.156 4.516 11.060 74 HB3 MET 9 HB2 MET 9 -9.676 3.394 9.807 75 HG2 MET 9 HG3 MET 9 -10.125 2.127 11.717 76 HG3 MET 9 HG2 MET 9 -8.482 1.595 11.368 77 HE1 MET 9 HE1 MET 9 -10.881 2.997 13.828 78 HE2 MET 9 HE2 MET 9 -10.423 4.541 13.097 79 HE3 MET 9 HE3 MET 9 -10.018 4.204 14.777 80 H GLU 10 H GLU 10 -5.934 1.652 10.442 81 HA GLU 10 HA GLU 10 -5.196 2.186 13.140 82 HB2 GLU 10 HB3 GLU 10 -3.549 0.473 12.841 83 HB3 GLU 10 HB2 GLU 10 -4.907 0.024 11.816 84 HG2 GLU 10 HG3 GLU 10 -3.193 -0.241 10.267 85 HG3 GLU 10 HG2 GLU 10 -3.552 1.459 9.986 86 H ASN 11 H ASN 11 -4.041 3.453 10.107 87 HA ASN 11 HA ASN 11 -2.260 5.331 11.569 88 HB2 ASN 11 HB3 ASN 11 -1.418 3.255 9.574 89 HB3 ASN 11 HB2 ASN 11 -0.645 4.832 9.458 90 HD21 ASN 11 HD22 ASN 11 -0.545 5.484 12.268 91 HD22 ASN 11 HD21 ASN 11 0.518 4.397 13.022 92 HA PRO 12 HA PRO 12 -5.018 7.603 8.629 93 HB2 PRO 12 HB2 PRO 12 -3.406 9.779 9.958 94 HB3 PRO 12 HB3 PRO 12 -5.137 9.757 9.552 95 HG2 PRO 12 HG3 PRO 12 -4.369 9.330 12.042 96 HG3 PRO 12 HG2 PRO 12 -5.665 8.347 11.330 97 HD2 PRO 12 HD3 PRO 12 -2.810 7.588 11.871 98 HD3 PRO 12 HD2 PRO 12 -4.276 6.582 11.955 99 H ASP 13 H ASP 13 -1.631 7.294 8.911 100 HA ASP 13 HA ASP 13 -0.825 9.032 6.740 101 HB2 ASP 13 HB3 ASP 13 0.738 8.227 8.513 102 HB3 ASP 13 HB2 ASP 13 0.591 6.594 7.862 103 H VAL 14 H VAL 14 -1.563 5.545 7.013 104 HA VAL 14 HA VAL 14 -1.045 5.042 4.186 105 HB VAL 14 HB VAL 14 -2.644 3.432 6.205 106 HG11 VAL 14 HG11 VAL 14 -3.133 2.792 3.897 107 HG12 VAL 14 HG12 VAL 14 -2.143 1.550 4.656 108 HG13 VAL 14 HG13 VAL 14 -1.412 2.698 3.533 109 HG21 VAL 14 HG21 VAL 14 -0.575 2.139 6.491 110 HG22 VAL 14 HG22 VAL 14 -0.290 3.832 6.891 111 HG23 VAL 14 HG23 VAL 14 0.256 3.189 5.343 112 H ALA 15 H ALA 15 -3.854 5.734 6.192 113 HA ALA 15 HA ALA 15 -5.844 5.377 4.173 114 HB1 ALA 15 HB1 ALA 15 -6.200 5.653 6.670 115 HB2 ALA 15 HB2 ALA 15 -7.282 6.607 5.654 116 HB3 ALA 15 HB3 ALA 15 -5.906 7.377 6.443 117 H MET 16 H MET 16 -3.779 8.087 5.095 118 HA MET 16 HA MET 16 -5.003 9.972 3.237 119 HB2 MET 16 HB3 MET 16 -3.720 10.609 5.322 120 HB3 MET 16 HB2 MET 16 -2.249 10.084 4.505 121 HG2 MET 16 HG3 MET 16 -2.667 11.710 2.697 122 HG3 MET 16 HG2 MET 16 -4.143 12.235 3.505 123 HE1 MET 16 HE1 MET 16 -3.162 14.365 6.367 124 HE2 MET 16 HE2 MET 16 -3.991 12.809 6.232 125 HE3 MET 16 HE3 MET 16 -4.286 14.075 5.043 126 H ALA 17 H ALA 17 -2.258 7.770 3.275 127 HA ALA 17 HA ALA 17 -1.165 8.618 0.731 128 HB1 ALA 17 HB1 ALA 17 0.247 6.693 0.902 129 HB2 ALA 17 HB2 ALA 17 -0.881 5.871 1.979 130 HB3 ALA 17 HB3 ALA 17 0.029 7.268 2.554 131 H PHE 18 H PHE 18 -3.599 6.335 1.801 132 HA PHE 18 HA PHE 18 -3.945 4.834 -0.590 133 HB2 PHE 18 HB3 PHE 18 -5.547 5.512 1.814 134 HB3 PHE 18 HB2 PHE 18 -6.516 5.112 0.403 135 HD1 PHE 18 HD1 PHE 18 -3.160 3.751 1.369 136 HD2 PHE 18 HD2 PHE 18 -7.364 2.954 0.935 137 HE1 PHE 18 HE1 PHE 18 -2.753 1.346 1.794 138 HE2 PHE 18 HE2 PHE 18 -6.950 0.552 1.362 139 HZ PHE 18 HZ PHE 18 -4.645 -0.256 1.787 140 H GLN 19 H GLN 19 -4.619 8.143 0.143 141 HA GLN 19 HA GLN 19 -6.447 8.485 -2.167 142 HB2 GLN 19 HB3 GLN 19 -5.369 10.446 -0.120 143 HB3 GLN 19 HB2 GLN 19 -6.514 10.858 -1.398 144 HG2 GLN 19 HG3 GLN 19 -8.093 9.163 -0.505 145 HG3 GLN 19 HG2 GLN 19 -6.959 8.818 0.802 146 HE21 GLN 19 HE22 GLN 19 -9.163 11.289 -0.491 147 HE22 GLN 19 HE21 GLN 19 -9.195 12.240 0.915 148 H ASN 20 H ASN 20 -3.525 7.741 -2.449 149 HA ASN 20 HA ASN 20 -2.581 10.114 -4.018 150 HB2 ASN 20 HB3 ASN 20 -1.076 7.819 -2.726 151 HB3 ASN 20 HB2 ASN 20 -0.326 8.931 -3.866 152 HD21 ASN 20 HD22 ASN 20 0.781 8.962 -1.360 153 HD22 ASN 20 HD21 ASN 20 0.301 10.341 -0.494 154 HA PRO 21 HA PRO 21 -3.428 7.576 -7.556 155 HB2 PRO 21 HB2 PRO 21 -1.763 8.695 -9.441 156 HB3 PRO 21 HB3 PRO 21 -3.253 9.476 -8.874 157 HG2 PRO 21 HG3 PRO 21 -0.428 9.973 -8.034 158 HG3 PRO 21 HG2 PRO 21 -1.722 11.138 -8.362 159 HD2 PRO 21 HD3 PRO 21 -1.034 10.407 -5.818 160 HD3 PRO 21 HD2 PRO 21 -2.699 10.851 -6.263 161 H ARG 22 H ARG 22 0.080 8.137 -7.016 162 HA ARG 22 HA ARG 22 0.986 5.834 -8.434 163 HB2 ARG 22 HB3 ARG 22 2.119 7.467 -6.158 164 HB3 ARG 22 HB2 ARG 22 2.937 5.991 -6.658 165 HG2 ARG 22 HG3 ARG 22 3.923 7.870 -7.841 166 HG3 ARG 22 HG2 ARG 22 3.032 6.883 -8.996 167 HD2 ARG 22 HD3 ARG 22 1.789 9.290 -7.648 168 HD3 ARG 22 HD2 ARG 22 2.694 9.425 -9.153 169 HE ARG 22 HE ARG 22 0.014 8.345 -8.882 170 HH11 ARG 22 HH22 ARG 22 3.006 8.163 -10.597 171 HH12 ARG 22 HH21 ARG 22 2.288 7.540 -12.045 172 HH21 ARG 22 HH11 ARG 22 -0.934 7.533 -10.764 173 HH22 ARG 22 HH12 ARG 22 0.060 7.184 -12.140 174 H VAL 23 H VAL 23 -0.298 6.252 -5.191 175 HA VAL 23 HA VAL 23 0.328 3.553 -4.300 176 HB VAL 23 HB VAL 23 -1.667 5.583 -3.245 177 HG11 VAL 23 HG11 VAL 23 -1.434 4.195 -1.131 178 HG12 VAL 23 HG12 VAL 23 -0.624 2.972 -2.110 179 HG13 VAL 23 HG13 VAL 23 -2.302 3.401 -2.443 180 HG21 VAL 23 HG21 VAL 23 0.706 6.320 -3.212 181 HG22 VAL 23 HG22 VAL 23 1.134 4.851 -2.338 182 HG23 VAL 23 HG23 VAL 23 0.087 6.051 -1.582 183 H GLN 24 H GLN 24 -2.707 5.185 -5.306 184 HA GLN 24 HA GLN 24 -4.404 2.936 -5.257 185 HB2 GLN 24 HB3 GLN 24 -5.129 5.289 -5.756 186 HB3 GLN 24 HB2 GLN 24 -4.418 5.124 -7.362 187 HG2 GLN 24 HG3 GLN 24 -5.921 3.287 -7.894 188 HG3 GLN 24 HG2 GLN 24 -6.567 3.297 -6.253 189 HE21 GLN 24 HE22 GLN 24 -7.069 5.943 -5.721 190 HE22 GLN 24 HE21 GLN 24 -8.146 6.600 -6.857 191 H ALA 25 H ALA 25 -1.992 3.934 -7.600 192 HA ALA 25 HA ALA 25 -2.649 1.924 -9.591 193 HB1 ALA 25 HB1 ALA 25 -0.121 3.531 -9.082 194 HB2 ALA 25 HB2 ALA 25 -1.404 3.938 -10.221 195 HB3 ALA 25 HB3 ALA 25 -0.392 2.522 -10.503 196 H ALA 26 H ALA 26 -0.600 2.098 -6.743 197 HA ALA 26 HA ALA 26 0.850 -0.346 -7.266 198 HB1 ALA 26 HB1 ALA 26 1.487 1.498 -5.606 199 HB2 ALA 26 HB2 ALA 26 1.637 -0.154 -5.011 200 HB3 ALA 26 HB3 ALA 26 0.254 0.832 -4.535 201 H LEU 27 H LEU 27 -2.138 0.458 -5.510 202 HA LEU 27 HA LEU 27 -2.618 -2.267 -4.618 203 HB2 LEU 27 HB3 LEU 27 -4.260 0.264 -4.750 204 HB3 LEU 27 HB2 LEU 27 -5.066 -1.268 -4.424 205 HG LEU 27 HG LEU 27 -3.484 -1.641 -2.517 206 HD11 LEU 27 HD11 LEU 27 -1.614 -0.277 -3.229 207 HD12 LEU 27 HD12 LEU 27 -2.228 0.390 -1.720 208 HD13 LEU 27 HD13 LEU 27 -2.618 1.170 -3.252 209 HD21 LEU 27 HD21 LEU 27 -5.727 -0.625 -2.191 210 HD22 LEU 27 HD22 LEU 27 -5.019 0.974 -2.415 211 HD23 LEU 27 HD23 LEU 27 -4.553 -0.010 -1.028 212 H MET 28 H MET 28 -3.918 -0.247 -7.269 213 HA MET 28 HA MET 28 -5.614 -2.219 -8.406 214 HB2 MET 28 HB3 MET 28 -5.487 0.238 -9.051 215 HB3 MET 28 HB2 MET 28 -4.029 -0.149 -9.963 216 HG2 MET 28 HG3 MET 28 -5.855 -0.230 -11.521 217 HG3 MET 28 HG2 MET 28 -5.403 -1.903 -11.198 218 HE1 MET 28 HE1 MET 28 -7.857 -2.047 -12.460 219 HE2 MET 28 HE2 MET 28 -8.203 -0.325 -12.248 220 HE3 MET 28 HE3 MET 28 -9.362 -1.534 -11.702 221 H GLU 29 H GLU 29 -2.159 -1.558 -8.863 222 HA GLU 29 HA GLU 29 -1.807 -3.639 -10.863 223 HB2 GLU 29 HB3 GLU 29 -0.281 -1.632 -10.543 224 HB3 GLU 29 HB2 GLU 29 0.314 -2.404 -9.075 225 HG2 GLU 29 HG3 GLU 29 1.839 -2.991 -10.844 226 HG3 GLU 29 HG2 GLU 29 0.891 -4.433 -10.487 227 H CYS 30 H CYS 30 -1.729 -3.456 -7.354 228 HA CYS 30 HA CYS 30 -0.306 -5.866 -6.807 229 HB2 CYS 30 HB3 CYS 30 -1.060 -4.174 -5.089 230 HB3 CYS 30 HB2 CYS 30 -2.690 -4.827 -5.243 231 HG CYS 30 HG CYS 30 -1.900 -6.428 -3.508 232 H SER 31 H SER 31 -3.752 -5.334 -7.518 233 HA SER 31 HA SER 31 -4.740 -7.892 -7.080 234 HB2 SER 31 HB3 SER 31 -6.463 -7.363 -8.746 235 HB3 SER 31 HB2 SER 31 -6.135 -5.957 -7.738 236 HG SER 31 HG SER 31 -6.189 -5.504 -10.016 237 H GLU 32 H GLU 32 -2.702 -6.742 -9.690 238 HA GLU 32 HA GLU 32 -3.111 -8.984 -11.461 239 HB2 GLU 32 HB3 GLU 32 -0.677 -7.190 -11.203 240 HB3 GLU 32 HB2 GLU 32 -1.083 -8.205 -12.587 241 HG2 GLU 32 HG3 GLU 32 -3.210 -6.917 -12.854 242 HG3 GLU 32 HG2 GLU 32 -2.686 -5.848 -11.553 243 H ASN 33 H ASN 33 -0.408 -8.198 -9.248 244 HA ASN 33 HA ASN 33 -0.154 -10.743 -8.079 245 HB2 ASN 33 HB3 ASN 33 0.918 -10.577 -10.831 246 HB3 ASN 33 HB2 ASN 33 2.130 -11.111 -9.676 247 HD21 ASN 33 HD22 ASN 33 2.000 -13.260 -10.792 248 HD22 ASN 33 HD21 ASN 33 0.735 -14.325 -10.406 249 HA PRO 34 HA PRO 34 2.794 -8.619 -5.583 250 HB2 PRO 34 HB2 PRO 34 4.989 -10.425 -5.596 251 HB3 PRO 34 HB3 PRO 34 3.636 -10.427 -4.450 252 HG2 PRO 34 HG3 PRO 34 4.039 -12.072 -6.903 253 HG3 PRO 34 HG2 PRO 34 3.284 -12.512 -5.359 254 HD2 PRO 34 HD3 PRO 34 1.773 -12.020 -7.521 255 HD3 PRO 34 HD2 PRO 34 1.242 -11.476 -5.914 256 H MET 35 H MET 35 3.449 -9.360 -8.826 257 HA MET 35 HA MET 35 6.105 -8.296 -9.091 258 HB2 MET 35 HB3 MET 35 3.795 -8.676 -11.009 259 HB3 MET 35 HB2 MET 35 5.279 -7.879 -11.531 260 HG2 MET 35 HG3 MET 35 5.318 -10.311 -12.023 261 HG3 MET 35 HG2 MET 35 6.592 -9.850 -10.895 262 HE1 MET 35 HE1 MET 35 4.855 -12.650 -11.665 263 HE2 MET 35 HE2 MET 35 5.024 -13.500 -10.123 264 HE3 MET 35 HE3 MET 35 6.406 -12.669 -10.831 265 H ASN 36 H ASN 36 3.223 -6.854 -8.189 266 HA ASN 36 HA ASN 36 3.267 -4.341 -9.478 267 HB2 ASN 36 HB3 ASN 36 2.210 -3.511 -7.280 268 HB3 ASN 36 HB2 ASN 36 1.379 -4.828 -8.102 269 HD21 ASN 36 HD22 ASN 36 0.866 -4.616 -5.407 270 HD22 ASN 36 HD21 ASN 36 1.673 -5.831 -4.539 271 H ILE 37 H ILE 37 4.634 -5.147 -6.285 272 HA ILE 37 HA ILE 37 6.032 -2.673 -6.036 273 HB ILE 37 HB ILE 37 5.386 -4.371 -4.203 274 HG12 ILE 37 HG13 ILE 37 7.404 -3.762 -2.819 275 HG13 ILE 37 HG12 ILE 37 8.157 -3.130 -4.280 276 HG21 ILE 37 HG21 ILE 37 6.898 -6.143 -3.694 277 HG22 ILE 37 HG22 ILE 37 8.091 -5.567 -4.856 278 HG23 ILE 37 HG23 ILE 37 6.578 -6.276 -5.422 279 HD11 ILE 37 HD11 ILE 37 6.823 -1.263 -4.322 280 HD12 ILE 37 HD12 ILE 37 6.691 -1.594 -2.599 281 HD13 ILE 37 HD13 ILE 37 5.411 -2.111 -3.692 282 H MET 38 H MET 38 6.808 -5.611 -7.712 283 HA MET 38 HA MET 38 9.666 -5.260 -7.793 284 HB2 MET 38 HB3 MET 38 7.781 -6.689 -9.690 285 HB3 MET 38 HB2 MET 38 9.538 -6.800 -9.764 286 HG2 MET 38 HG3 MET 38 7.942 -7.491 -7.283 287 HG3 MET 38 HG2 MET 38 8.402 -8.684 -8.497 288 HE1 MET 38 HE1 MET 38 12.028 -9.314 -8.143 289 HE2 MET 38 HE2 MET 38 11.014 -8.659 -9.436 290 HE3 MET 38 HE3 MET 38 10.424 -9.981 -8.433 291 H LYS 39 H LYS 39 7.928 -2.864 -8.479 292 HA LYS 39 HA LYS 39 9.495 -2.011 -10.831 293 HB2 LYS 39 HB3 LYS 39 6.459 -2.028 -10.798 294 HB3 LYS 39 HB2 LYS 39 7.437 -1.173 -11.990 295 HG2 LYS 39 HG3 LYS 39 8.550 -3.436 -12.483 296 HG3 LYS 39 HG2 LYS 39 7.251 -4.164 -11.540 297 HD2 LYS 39 HD3 LYS 39 6.932 -2.459 -14.030 298 HD3 LYS 39 HD2 LYS 39 6.656 -4.196 -13.908 299 HE2 LYS 39 HE3 LYS 39 5.033 -1.953 -12.692 300 HE3 LYS 39 HE2 LYS 39 4.484 -3.257 -13.742 301 HZ1 LYS 39 HZ1 LYS 39 5.423 -4.689 -11.752 302 HZ2 LYS 39 HZ2 LYS 39 3.836 -4.093 -11.758 303 HZ3 LYS 39 HZ3 LYS 39 5.042 -3.283 -10.878 304 H TYR 40 H TYR 40 7.104 -1.221 -8.317 305 HA TYR 40 HA TYR 40 7.606 1.655 -8.568 306 HB2 TYR 40 HB3 TYR 40 6.155 0.199 -6.340 307 HB3 TYR 40 HB2 TYR 40 6.020 1.896 -6.786 308 HD1 TYR 40 HD1 TYR 40 5.454 2.316 -9.347 309 HD2 TYR 40 HD2 TYR 40 4.460 -1.240 -7.150 310 HE1 TYR 40 HE1 TYR 40 3.668 1.808 -10.987 311 HE2 TYR 40 HE2 TYR 40 2.674 -1.747 -8.795 312 HH TYR 40 HH TYR 40 2.297 -1.099 -11.365 313 H GLN 41 H GLN 41 9.474 -0.768 -7.360 314 HA GLN 41 HA GLN 41 10.239 0.022 -4.763 315 HB2 GLN 41 HB3 GLN 41 11.639 -1.319 -7.053 316 HB3 GLN 41 HB2 GLN 41 12.644 -0.742 -5.724 317 HG2 GLN 41 HG3 GLN 41 11.420 -2.073 -4.125 318 HG3 GLN 41 HG2 GLN 41 10.218 -2.514 -5.335 319 HE21 GLN 41 HE22 GLN 41 11.336 -3.586 -7.411 320 HE22 GLN 41 HE21 GLN 41 12.524 -4.747 -7.063 321 H ASN 42 H ASN 42 10.703 1.625 -7.796 322 HA ASN 42 HA ASN 42 12.786 3.446 -6.761 323 HB2 ASN 42 HB3 ASN 42 12.745 2.725 -9.159 324 HB3 ASN 42 HB2 ASN 42 11.209 3.572 -9.352 325 HD21 ASN 42 HD22 ASN 42 11.506 5.609 -10.248 326 HD22 ASN 42 HD21 ASN 42 12.843 6.617 -9.969 327 H ASP 43 H ASP 43 9.308 3.386 -7.342 328 HA ASP 43 HA ASP 43 8.866 6.208 -6.988 329 HB2 ASP 43 HB3 ASP 43 7.274 4.396 -7.955 330 HB3 ASP 43 HB2 ASP 43 6.864 4.054 -6.279 331 H LYS 44 H LYS 44 9.949 6.931 -5.136 332 HA LYS 44 HA LYS 44 10.185 5.722 -2.669 333 HB2 LYS 44 HB3 LYS 44 9.962 8.637 -3.406 334 HB3 LYS 44 HB2 LYS 44 10.299 8.116 -1.754 335 HG2 LYS 44 HG3 LYS 44 12.337 7.044 -2.400 336 HG3 LYS 44 HG2 LYS 44 11.944 7.169 -4.114 337 HD2 LYS 44 HD3 LYS 44 13.600 8.873 -3.517 338 HD3 LYS 44 HD2 LYS 44 12.076 9.645 -3.948 339 HE2 LYS 44 HE3 LYS 44 11.549 10.122 -1.678 340 HE3 LYS 44 HE2 LYS 44 12.759 8.989 -1.073 341 HZ1 LYS 44 HZ1 LYS 44 13.920 10.953 -2.773 342 HZ2 LYS 44 HZ2 LYS 44 14.316 10.543 -1.176 343 HZ3 LYS 44 HZ3 LYS 44 13.090 11.679 -1.481 344 H GLU 45 H GLU 45 7.339 7.364 -3.935 345 HA GLU 45 HA GLU 45 6.018 7.628 -1.380 346 HB2 GLU 45 HB3 GLU 45 5.403 8.890 -3.478 347 HB3 GLU 45 HB2 GLU 45 4.708 7.396 -4.105 348 HG2 GLU 45 HG3 GLU 45 3.118 7.295 -2.278 349 HG3 GLU 45 HG2 GLU 45 3.884 8.667 -1.477 350 H VAL 46 H VAL 46 5.839 5.162 -3.953 351 HA VAL 46 HA VAL 46 3.894 3.550 -2.543 352 HB VAL 46 HB VAL 46 5.820 2.691 -4.702 353 HG11 VAL 46 HG11 VAL 46 4.743 0.804 -3.628 354 HG12 VAL 46 HG12 VAL 46 3.976 1.053 -5.195 355 HG13 VAL 46 HG13 VAL 46 3.170 1.596 -3.724 356 HG21 VAL 46 HG21 VAL 46 3.036 3.873 -4.924 357 HG22 VAL 46 HG22 VAL 46 3.982 3.236 -6.269 358 HG23 VAL 46 HG23 VAL 46 4.533 4.671 -5.405 359 H MET 47 H MET 47 7.446 3.456 -2.813 360 HA MET 47 HA MET 47 7.731 0.950 -1.467 361 HB2 MET 47 HB3 MET 47 10.025 1.323 -1.517 362 HB3 MET 47 HB2 MET 47 9.513 2.454 -2.762 363 HG2 MET 47 HG3 MET 47 9.457 4.251 -0.986 364 HG3 MET 47 HG2 MET 47 10.189 3.096 0.124 365 HE1 MET 47 HE1 MET 47 12.546 2.753 0.423 366 HE2 MET 47 HE2 MET 47 13.716 2.620 -0.897 367 HE3 MET 47 HE3 MET 47 12.314 1.555 -0.848 368 H ASP 48 H ASP 48 7.709 4.283 -0.231 369 HA ASP 48 HA ASP 48 8.131 3.598 2.511 370 HB2 ASP 48 HB3 ASP 48 6.711 5.896 1.140 371 HB3 ASP 48 HB2 ASP 48 6.861 5.811 2.896 372 H VAL 49 H VAL 49 5.240 3.686 0.501 373 HA VAL 49 HA VAL 49 3.373 3.251 2.687 374 HB VAL 49 HB VAL 49 3.198 3.023 -0.327 375 HG11 VAL 49 HG11 VAL 49 1.494 1.551 0.459 376 HG12 VAL 49 HG12 VAL 49 0.681 3.074 0.107 377 HG13 VAL 49 HG13 VAL 49 1.057 2.642 1.775 378 HG21 VAL 49 HG21 VAL 49 3.538 5.280 0.877 379 HG22 VAL 49 HG22 VAL 49 1.903 5.060 1.496 380 HG23 VAL 49 HG23 VAL 49 2.181 5.171 -0.240 381 H PHE 50 H PHE 50 4.476 1.179 0.017 382 HA PHE 50 HA PHE 50 3.247 -1.185 1.036 383 HB2 PHE 50 HB3 PHE 50 4.909 -0.425 -1.245 384 HB3 PHE 50 HB2 PHE 50 5.395 -1.999 -0.620 385 HD1 PHE 50 HD1 PHE 50 2.628 -0.031 -2.047 386 HD2 PHE 50 HD2 PHE 50 3.861 -3.904 -0.667 387 HE1 PHE 50 HE1 PHE 50 0.601 -1.029 -3.050 388 HE2 PHE 50 HE2 PHE 50 1.832 -4.906 -1.677 389 HZ PHE 50 HZ PHE 50 0.200 -3.472 -2.873 390 H ASN 51 H ASN 51 6.259 0.396 1.730 391 HA ASN 51 HA ASN 51 7.461 -1.945 3.029 392 HB2 ASN 51 HB3 ASN 51 8.896 -0.165 2.070 393 HB3 ASN 51 HB2 ASN 51 8.213 0.992 3.215 394 HD21 ASN 51 HD22 ASN 51 10.155 1.352 4.437 395 HD22 ASN 51 HD21 ASN 51 10.893 0.134 5.360 396 H LYS 52 H LYS 52 5.343 0.702 3.877 397 HA LYS 52 HA LYS 52 5.722 0.368 6.769 398 HB2 LYS 52 HB3 LYS 52 4.986 2.540 5.948 399 HB3 LYS 52 HB2 LYS 52 3.609 1.808 5.130 400 HG2 LYS 52 HG3 LYS 52 2.546 1.238 7.189 401 HG3 LYS 52 HG2 LYS 52 4.005 1.565 8.123 402 HD2 LYS 52 HD3 LYS 52 2.772 3.799 6.506 403 HD3 LYS 52 HD2 LYS 52 2.040 3.355 8.045 404 HE2 LYS 52 HE3 LYS 52 4.949 4.137 7.656 405 HE3 LYS 52 HE2 LYS 52 3.692 5.167 8.335 406 HZ1 LYS 52 HZ1 LYS 52 4.851 2.696 9.463 407 HZ2 LYS 52 HZ2 LYS 52 3.345 3.279 9.982 408 HZ3 LYS 52 HZ3 LYS 52 4.737 4.235 10.173 409 H ILE 53 H ILE 53 3.326 -0.438 4.339 410 HA ILE 53 HA ILE 53 1.418 -1.795 5.876 411 HB ILE 53 HB ILE 53 2.308 -1.670 3.066 412 HG12 ILE 53 HG13 ILE 53 -0.059 -1.454 2.625 413 HG13 ILE 53 HG12 ILE 53 -0.453 -2.020 4.244 414 HG21 ILE 53 HG21 ILE 53 2.471 -4.058 3.149 415 HG22 ILE 53 HG22 ILE 53 0.953 -3.659 2.349 416 HG23 ILE 53 HG23 ILE 53 0.948 -4.189 4.028 417 HD11 ILE 53 HD11 ILE 53 -0.007 0.008 5.194 418 HD12 ILE 53 HD12 ILE 53 -0.256 0.609 3.560 419 HD13 ILE 53 HD13 ILE 53 1.376 0.315 4.148 420 H SER 54 H SER 54 4.435 -3.042 4.458 421 HA SER 54 HA SER 54 3.990 -5.725 5.536 422 HB2 SER 54 HB3 SER 54 5.227 -5.570 3.486 423 HB3 SER 54 HB2 SER 54 6.349 -4.401 4.177 424 HG SER 54 HG SER 54 7.008 -6.060 5.633 425 H GLN 55 H GLN 55 5.901 -2.890 6.493 426 HA GLN 55 HA GLN 55 7.404 -4.279 8.535 427 HB2 GLN 55 HB3 GLN 55 6.783 -1.371 7.997 428 HB3 GLN 55 HB2 GLN 55 7.652 -1.847 9.454 429 HG2 GLN 55 HG3 GLN 55 8.529 -2.706 6.680 430 HG3 GLN 55 HG2 GLN 55 9.111 -1.229 7.448 431 HE21 GLN 55 HE22 GLN 55 10.685 -3.690 6.778 432 HE22 GLN 55 HE21 GLN 55 11.337 -4.230 8.249 433 H LEU 56 H LEU 56 4.286 -2.619 8.492 434 HA LEU 56 HA LEU 56 3.937 -3.025 11.408 435 HB2 LEU 56 HB3 LEU 56 2.371 -1.640 9.230 436 HB3 LEU 56 HB2 LEU 56 1.602 -2.006 10.773 437 HG LEU 56 HG LEU 56 3.262 -0.712 11.980 438 HD11 LEU 56 HD11 LEU 56 4.993 0.590 10.633 439 HD12 LEU 56 HD12 LEU 56 4.600 -0.458 9.273 440 HD13 LEU 56 HD13 LEU 56 5.278 -1.146 10.747 441 HD21 LEU 56 HD21 LEU 56 2.852 1.537 10.968 442 HD22 LEU 56 HD22 LEU 56 1.390 0.555 11.061 443 HD23 LEU 56 HD23 LEU 56 2.232 0.739 9.522 444 H PHE 57 H PHE 57 2.978 -4.460 8.356 445 HA PHE 57 HA PHE 57 1.369 -6.512 9.858 446 HB2 PHE 57 HB3 PHE 57 0.888 -5.943 6.935 447 HB3 PHE 57 HB2 PHE 57 -0.221 -6.591 8.141 448 HD1 PHE 57 HD2 PHE 57 -0.049 -4.696 10.349 449 HD2 PHE 57 HD1 PHE 57 -0.060 -3.932 6.122 450 HE1 PHE 57 HE2 PHE 57 -0.948 -2.428 10.760 451 HE2 PHE 57 HE1 PHE 57 -0.966 -1.670 6.541 452 HZ PHE 57 HZ PHE 57 -1.407 -0.916 8.852 453 HA PRO 58 HA PRO 58 5.016 -8.344 7.405 454 HB2 PRO 58 HB2 PRO 58 6.362 -9.443 9.536 455 HB3 PRO 58 HB3 PRO 58 6.650 -7.787 8.962 456 HG2 PRO 58 HG3 PRO 58 4.923 -8.717 11.229 457 HG3 PRO 58 HG2 PRO 58 6.097 -7.385 11.189 458 HD2 PRO 58 HD3 PRO 58 3.449 -6.906 10.921 459 HD3 PRO 58 HD2 PRO 58 4.650 -5.969 10.002 460 H GLY 59 H GLY 59 2.247 -9.279 8.548 461 HA2 GLY 59 HA3 GLY 59 2.526 -12.038 7.763 462 HA3 GLY 59 HA2 GLY 59 2.389 -11.909 9.517 463 H MET 60 H MET 60 0.435 -10.933 10.396 464 HA MET 60 HA MET 60 -1.951 -11.737 9.021 465 HB2 MET 60 HB3 MET 60 -1.540 -9.907 11.406 466 HB3 MET 60 HB2 MET 60 -3.121 -10.455 10.851 467 HG2 MET 60 HG3 MET 60 -2.453 -11.947 12.611 468 HG3 MET 60 HG2 MET 60 -2.265 -12.837 11.101 469 HE1 MET 60 HE1 MET 60 0.596 -13.913 13.633 470 HE2 MET 60 HE2 MET 60 -1.006 -14.297 12.990 471 HE3 MET 60 HE3 MET 60 -0.822 -13.050 14.220 472 H THR 61 H THR 61 -1.965 -10.682 6.976 473 HA THR 61 HA THR 61 -1.684 -7.823 6.691 474 HB THR 61 HB THR 61 -3.101 -9.758 4.835 475 HG1 THR 61 HG1 THR 61 -0.389 -9.083 5.210 476 HG21 THR 61 HG21 THR 61 -2.382 -8.084 3.117 477 HG22 THR 61 HG22 THR 61 -1.823 -7.042 4.425 478 HG23 THR 61 HG23 THR 61 -3.536 -7.434 4.280 479 H GLY 62 H GLY 62 -4.635 -9.658 5.880 480 HA2 GLY 62 HA3 GLY 62 -6.344 -7.404 6.381 481 HA3 GLY 62 HA2 GLY 62 -6.890 -9.068 6.167 Start of MODEL 19 1 H2 PRO 1 H2 PRO 1 -12.167 0.163 1.450 2 H3 PRO 1 H3 PRO 1 -12.967 0.241 -0.052 3 HA PRO 1 HA PRO 1 -14.867 -0.093 1.032 4 HB2 PRO 1 HB2 PRO 1 -14.792 -2.644 2.087 5 HB3 PRO 1 HB3 PRO 1 -14.995 -2.313 0.353 6 HG2 PRO 1 HG3 PRO 1 -12.561 -3.175 1.834 7 HG3 PRO 1 HG2 PRO 1 -13.070 -3.558 0.178 8 HD2 PRO 1 HD3 PRO 1 -11.138 -1.670 0.800 9 HD3 PRO 1 HD2 PRO 1 -12.080 -1.669 -0.696 10 H GLU 2 H GLU 2 -15.884 0.013 3.104 11 HA GLU 2 HA GLU 2 -14.333 1.071 5.229 12 HB2 GLU 2 HB3 GLU 2 -17.036 -0.298 5.404 13 HB3 GLU 2 HB2 GLU 2 -16.350 0.791 6.610 14 HG2 GLU 2 HG3 GLU 2 -16.877 1.577 3.728 15 HG3 GLU 2 HG2 GLU 2 -17.987 1.906 5.058 16 H GLU 3 H GLU 3 -15.082 -2.226 4.367 17 HA GLU 3 HA GLU 3 -14.555 -3.459 6.895 18 HB2 GLU 3 HB3 GLU 3 -15.636 -4.641 5.013 19 HB3 GLU 3 HB2 GLU 3 -14.127 -4.567 4.103 20 HG2 GLU 3 HG3 GLU 3 -12.997 -5.967 5.706 21 HG3 GLU 3 HG2 GLU 3 -14.356 -5.877 6.827 22 H VAL 4 H VAL 4 -12.389 -3.207 4.040 23 HA VAL 4 HA VAL 4 -10.069 -3.986 5.619 24 HB VAL 4 HB VAL 4 -10.249 -2.759 2.851 25 HG11 VAL 4 HG11 VAL 4 -7.963 -3.837 2.622 26 HG12 VAL 4 HG12 VAL 4 -7.982 -4.092 4.366 27 HG13 VAL 4 HG13 VAL 4 -8.012 -2.454 3.713 28 HG21 VAL 4 HG21 VAL 4 -9.956 -5.635 3.768 29 HG22 VAL 4 HG22 VAL 4 -10.004 -5.084 2.094 30 HG23 VAL 4 HG23 VAL 4 -11.432 -4.923 3.117 31 H ILE 5 H ILE 5 -11.120 -0.902 4.132 32 HA ILE 5 HA ILE 5 -9.006 0.727 4.942 33 HB ILE 5 HB ILE 5 -11.956 1.410 4.891 34 HG12 ILE 5 HG13 ILE 5 -9.801 1.923 2.815 35 HG13 ILE 5 HG12 ILE 5 -10.871 0.524 2.764 36 HG21 ILE 5 HG21 ILE 5 -11.026 3.764 4.534 37 HG22 ILE 5 HG22 ILE 5 -9.463 3.132 5.050 38 HG23 ILE 5 HG23 ILE 5 -10.833 3.116 6.160 39 HD11 ILE 5 HD11 ILE 5 -11.732 3.432 2.708 40 HD12 ILE 5 HD12 ILE 5 -12.833 2.055 2.745 41 HD13 ILE 5 HD13 ILE 5 -11.779 2.305 1.353 42 H SER 6 H SER 6 -11.461 -0.760 6.896 43 HA SER 6 HA SER 6 -11.158 0.966 9.200 44 HB2 SER 6 HB3 SER 6 -13.126 -0.416 9.096 45 HB3 SER 6 HB2 SER 6 -12.163 -1.875 8.887 46 HG SER 6 HG SER 6 -13.033 -1.004 11.117 47 H LYS 7 H LYS 7 -9.574 -2.000 8.067 48 HA LYS 7 HA LYS 7 -7.995 -2.300 10.495 49 HB2 LYS 7 HB3 LYS 7 -7.130 -4.230 9.533 50 HB3 LYS 7 HB2 LYS 7 -8.658 -4.089 8.681 51 HG2 LYS 7 HG3 LYS 7 -7.313 -4.399 6.833 52 HG3 LYS 7 HG2 LYS 7 -7.100 -2.665 6.970 53 HD2 LYS 7 HD3 LYS 7 -4.875 -3.380 6.841 54 HD3 LYS 7 HD2 LYS 7 -5.102 -3.324 8.586 55 HE2 LYS 7 HE3 LYS 7 -5.752 -5.789 8.458 56 HE3 LYS 7 HE2 LYS 7 -5.195 -5.758 6.786 57 HZ1 LYS 7 HZ1 LYS 7 -3.646 -5.424 9.264 58 HZ2 LYS 7 HZ2 LYS 7 -3.085 -4.725 7.824 59 HZ3 LYS 7 HZ3 LYS 7 -3.320 -6.405 7.916 60 H ILE 8 H ILE 8 -7.542 -0.601 7.454 61 HA ILE 8 HA ILE 8 -4.709 -0.221 7.656 62 HB ILE 8 HB ILE 8 -6.616 1.807 6.457 63 HG12 ILE 8 HG13 ILE 8 -7.189 -0.555 5.695 64 HG13 ILE 8 HG12 ILE 8 -6.746 0.562 4.417 65 HG21 ILE 8 HG21 ILE 8 -4.725 2.062 4.827 66 HG22 ILE 8 HG22 ILE 8 -3.774 0.964 5.827 67 HG23 ILE 8 HG23 ILE 8 -4.313 2.508 6.481 68 HD11 ILE 8 HD11 ILE 8 -5.722 -1.754 4.267 69 HD12 ILE 8 HD12 ILE 8 -4.756 -1.329 5.675 70 HD13 ILE 8 HD13 ILE 8 -4.585 -0.410 4.184 71 H MET 9 H MET 9 -7.338 1.152 9.418 72 HA MET 9 HA MET 9 -6.203 3.662 10.140 73 HB2 MET 9 HB3 MET 9 -7.845 3.755 11.850 74 HB3 MET 9 HB2 MET 9 -8.583 2.760 10.598 75 HG2 MET 9 HG3 MET 9 -7.561 0.744 11.909 76 HG3 MET 9 HG2 MET 9 -7.407 1.890 13.239 77 HE1 MET 9 HE1 MET 9 -9.138 2.566 14.764 78 HE2 MET 9 HE2 MET 9 -10.842 2.792 14.344 79 HE3 MET 9 HE3 MET 9 -9.594 3.704 13.499 80 H GLU 10 H GLU 10 -5.277 0.467 10.983 81 HA GLU 10 HA GLU 10 -4.183 0.823 13.565 82 HB2 GLU 10 HB3 GLU 10 -2.756 -1.080 13.057 83 HB3 GLU 10 HB2 GLU 10 -4.350 -1.357 12.357 84 HG2 GLU 10 HG3 GLU 10 -3.469 -0.484 10.165 85 HG3 GLU 10 HG2 GLU 10 -1.861 -0.418 10.888 86 H ASN 11 H ASN 11 -3.117 2.029 10.496 87 HA ASN 11 HA ASN 11 -0.845 3.419 11.835 88 HB2 ASN 11 HB3 ASN 11 0.017 1.327 10.747 89 HB3 ASN 11 HB2 ASN 11 -0.575 1.939 9.202 90 HD21 ASN 11 HD22 ASN 11 0.253 4.726 10.680 91 HD22 ASN 11 HD21 ASN 11 1.886 4.846 10.233 92 HA PRO 12 HA PRO 12 -3.524 6.364 9.428 93 HB2 PRO 12 HB2 PRO 12 -1.558 8.131 10.880 94 HB3 PRO 12 HB3 PRO 12 -3.297 8.380 10.605 95 HG2 PRO 12 HG3 PRO 12 -2.450 7.544 12.961 96 HG3 PRO 12 HG2 PRO 12 -3.904 6.829 12.235 97 HD2 PRO 12 HD3 PRO 12 -1.147 5.659 12.464 98 HD3 PRO 12 HD2 PRO 12 -2.725 4.840 12.543 99 H ASP 13 H ASP 13 -0.217 5.556 9.344 100 HA ASP 13 HA ASP 13 0.689 7.496 7.397 101 HB2 ASP 13 HB3 ASP 13 2.219 6.175 8.872 102 HB3 ASP 13 HB2 ASP 13 1.786 4.726 7.965 103 H VAL 14 H VAL 14 -0.460 4.107 7.157 104 HA VAL 14 HA VAL 14 -0.282 4.103 4.247 105 HB VAL 14 HB VAL 14 -1.780 2.265 6.138 106 HG11 VAL 14 HG11 VAL 14 -1.517 0.648 4.242 107 HG12 VAL 14 HG12 VAL 14 -0.886 1.968 3.257 108 HG13 VAL 14 HG13 VAL 14 -2.544 2.023 3.853 109 HG21 VAL 14 HG21 VAL 14 0.222 0.844 6.002 110 HG22 VAL 14 HG22 VAL 14 0.648 2.429 6.639 111 HG23 VAL 14 HG23 VAL 14 1.009 2.030 4.961 112 H ALA 15 H ALA 15 -2.795 4.618 6.659 113 HA ALA 15 HA ALA 15 -5.015 4.694 4.860 114 HB1 ALA 15 HB1 ALA 15 -4.728 6.312 7.398 115 HB2 ALA 15 HB2 ALA 15 -5.046 4.578 7.408 116 HB3 ALA 15 HB3 ALA 15 -6.209 5.684 6.678 117 H MET 16 H MET 16 -2.725 7.164 5.962 118 HA MET 16 HA MET 16 -4.069 9.349 4.575 119 HB2 MET 16 HB3 MET 16 -1.343 9.009 5.849 120 HB3 MET 16 HB2 MET 16 -1.795 10.489 5.003 121 HG2 MET 16 HG3 MET 16 -3.468 9.318 7.242 122 HG3 MET 16 HG2 MET 16 -2.193 10.504 7.523 123 HE1 MET 16 HE1 MET 16 -4.057 11.850 8.711 124 HE2 MET 16 HE2 MET 16 -5.371 10.773 8.219 125 HE3 MET 16 HE3 MET 16 -5.499 12.508 7.941 126 H ALA 17 H ALA 17 -1.459 7.086 3.908 127 HA ALA 17 HA ALA 17 -0.620 8.337 1.432 128 HB1 ALA 17 HB1 ALA 17 -0.336 5.446 2.301 129 HB2 ALA 17 HB2 ALA 17 0.780 6.732 2.760 130 HB3 ALA 17 HB3 ALA 17 0.615 6.270 1.066 131 H PHE 18 H PHE 18 -2.963 5.894 2.385 132 HA PHE 18 HA PHE 18 -3.679 4.838 -0.137 133 HB2 PHE 18 HB3 PHE 18 -4.951 5.187 2.516 134 HB3 PHE 18 HB2 PHE 18 -6.101 5.061 1.194 135 HD1 PHE 18 HD1 PHE 18 -2.749 3.418 1.517 136 HD2 PHE 18 HD2 PHE 18 -7.016 2.886 1.485 137 HE1 PHE 18 HE1 PHE 18 -2.449 0.959 1.521 138 HE2 PHE 18 HE2 PHE 18 -6.709 0.431 1.490 139 HZ PHE 18 HZ PHE 18 -4.426 -0.536 1.502 140 H GLN 19 H GLN 19 -4.028 8.037 1.088 141 HA GLN 19 HA GLN 19 -6.194 8.782 -0.775 142 HB2 GLN 19 HB3 GLN 19 -4.498 10.497 1.065 143 HB3 GLN 19 HB2 GLN 19 -5.948 11.019 0.207 144 HG2 GLN 19 HG3 GLN 19 -7.251 9.266 1.410 145 HG3 GLN 19 HG2 GLN 19 -5.800 8.856 2.327 146 HE21 GLN 19 HE22 GLN 19 -5.875 9.809 4.360 147 HE22 GLN 19 HE21 GLN 19 -6.490 11.356 4.694 148 H ASN 20 H ASN 20 -3.386 7.871 -1.655 149 HA ASN 20 HA ASN 20 -2.651 10.285 -3.272 150 HB2 ASN 20 HB3 ASN 20 -1.072 7.956 -2.190 151 HB3 ASN 20 HB2 ASN 20 -0.490 8.800 -3.621 152 HD21 ASN 20 HD22 ASN 20 0.360 8.728 -0.588 153 HD22 ASN 20 HD21 ASN 20 0.568 10.372 -0.220 154 HA PRO 21 HA PRO 21 -4.311 7.972 -6.678 155 HB2 PRO 21 HB2 PRO 21 -3.046 9.159 -8.809 156 HB3 PRO 21 HB3 PRO 21 -4.341 9.952 -7.887 157 HG2 PRO 21 HG3 PRO 21 -1.378 10.291 -7.646 158 HG3 PRO 21 HG2 PRO 21 -2.652 11.524 -7.642 159 HD2 PRO 21 HD3 PRO 21 -1.497 10.629 -5.335 160 HD3 PRO 21 HD2 PRO 21 -3.198 11.148 -5.404 161 H ARG 22 H ARG 22 -0.746 8.409 -6.899 162 HA ARG 22 HA ARG 22 -0.302 6.139 -8.584 163 HB2 ARG 22 HB3 ARG 22 1.424 7.672 -6.632 164 HB3 ARG 22 HB2 ARG 22 2.042 6.198 -7.372 165 HG2 ARG 22 HG3 ARG 22 2.745 8.086 -8.723 166 HG3 ARG 22 HG2 ARG 22 1.535 7.180 -9.627 167 HD2 ARG 22 HD3 ARG 22 -0.181 8.783 -9.078 168 HD3 ARG 22 HD2 ARG 22 0.878 9.601 -7.928 169 HE ARG 22 HE ARG 22 1.823 10.766 -9.740 170 HH11 ARG 22 HH22 ARG 22 0.228 7.885 -10.776 171 HH12 ARG 22 HH21 ARG 22 0.461 8.206 -12.462 172 HH21 ARG 22 HH11 ARG 22 2.133 11.197 -11.935 173 HH22 ARG 22 HH12 ARG 22 1.539 10.079 -13.117 174 H VAL 23 H VAL 23 -0.854 6.484 -5.162 175 HA VAL 23 HA VAL 23 -0.013 3.796 -4.439 176 HB VAL 23 HB VAL 23 -1.768 5.816 -3.006 177 HG11 VAL 23 HG11 VAL 23 -2.260 3.638 -2.096 178 HG12 VAL 23 HG12 VAL 23 -1.150 4.425 -0.976 179 HG13 VAL 23 HG13 VAL 23 -0.553 3.193 -2.088 180 HG21 VAL 23 HG21 VAL 23 0.481 6.649 -3.324 181 HG22 VAL 23 HG22 VAL 23 1.174 5.107 -2.845 182 HG23 VAL 23 HG23 VAL 23 0.352 6.109 -1.650 183 H GLN 24 H GLN 24 -3.223 5.359 -4.819 184 HA GLN 24 HA GLN 24 -4.807 3.051 -4.454 185 HB2 GLN 24 HB3 GLN 24 -5.641 5.431 -4.776 186 HB3 GLN 24 HB2 GLN 24 -5.350 5.228 -6.503 187 HG2 GLN 24 HG3 GLN 24 -7.671 4.718 -6.119 188 HG3 GLN 24 HG2 GLN 24 -6.855 3.185 -6.418 189 HE21 GLN 24 HE22 GLN 24 -8.457 1.992 -5.142 190 HE22 GLN 24 HE21 GLN 24 -8.493 2.107 -3.449 191 H ALA 25 H ALA 25 -2.947 4.158 -7.215 192 HA ALA 25 HA ALA 25 -3.935 2.154 -9.072 193 HB1 ALA 25 HB1 ALA 25 -2.061 2.889 -10.480 194 HB2 ALA 25 HB2 ALA 25 -1.349 3.747 -9.113 195 HB3 ALA 25 HB3 ALA 25 -2.879 4.295 -9.799 196 H ALA 26 H ALA 26 -1.250 2.393 -6.789 197 HA ALA 26 HA ALA 26 0.088 -0.011 -7.654 198 HB1 ALA 26 HB1 ALA 26 1.129 1.771 -6.216 199 HB2 ALA 26 HB2 ALA 26 1.308 0.146 -5.555 200 HB3 ALA 26 HB3 ALA 26 0.096 1.240 -4.888 201 H LEU 27 H LEU 27 -2.392 0.696 -5.213 202 HA LEU 27 HA LEU 27 -2.564 -2.031 -4.241 203 HB2 LEU 27 HB3 LEU 27 -4.662 0.155 -4.107 204 HB3 LEU 27 HB2 LEU 27 -4.577 -1.279 -3.087 205 HG LEU 27 HG LEU 27 -2.366 0.797 -3.198 206 HD11 LEU 27 HD11 LEU 27 -3.286 1.709 -1.120 207 HD12 LEU 27 HD12 LEU 27 -4.620 0.559 -1.184 208 HD13 LEU 27 HD13 LEU 27 -4.483 1.821 -2.409 209 HD21 LEU 27 HD21 LEU 27 -1.885 -0.251 -0.908 210 HD22 LEU 27 HD22 LEU 27 -1.554 -1.274 -2.301 211 HD23 LEU 27 HD23 LEU 27 -3.019 -1.524 -1.354 212 H MET 28 H MET 28 -4.540 -0.081 -6.497 213 HA MET 28 HA MET 28 -6.392 -2.145 -7.151 214 HB2 MET 28 HB3 MET 28 -6.558 0.309 -7.809 215 HB3 MET 28 HB2 MET 28 -5.362 -0.020 -9.061 216 HG2 MET 28 HG3 MET 28 -7.520 -0.210 -10.102 217 HG3 MET 28 HG2 MET 28 -6.914 -1.853 -9.905 218 HE1 MET 28 HE1 MET 28 -9.411 -2.231 -10.533 219 HE2 MET 28 HE2 MET 28 -10.113 -0.643 -10.198 220 HE3 MET 28 HE3 MET 28 -10.772 -2.082 -9.425 221 H GLU 29 H GLU 29 -3.208 -1.318 -8.479 222 HA GLU 29 HA GLU 29 -3.289 -3.437 -10.470 223 HB2 GLU 29 HB3 GLU 29 -1.817 -1.328 -10.542 224 HB3 GLU 29 HB2 GLU 29 -0.790 -2.131 -9.356 225 HG2 GLU 29 HG3 GLU 29 0.231 -2.824 -11.351 226 HG3 GLU 29 HG2 GLU 29 -0.891 -4.154 -11.077 227 H CYS 30 H CYS 30 -2.235 -3.128 -7.110 228 HA CYS 30 HA CYS 30 -0.585 -5.402 -6.854 229 HB2 CYS 30 HB3 CYS 30 -1.145 -3.810 -4.991 230 HB3 CYS 30 HB2 CYS 30 -2.722 -4.586 -4.859 231 HG CYS 30 HG CYS 30 -0.677 -5.630 -3.286 232 H SER 31 H SER 31 -4.029 -5.200 -7.388 233 HA SER 31 HA SER 31 -4.877 -7.739 -6.599 234 HB2 SER 31 HB3 SER 31 -5.749 -6.225 -9.072 235 HB3 SER 31 HB2 SER 31 -6.655 -7.504 -8.269 236 HG SER 31 HG SER 31 -6.789 -4.968 -7.765 237 H GLU 32 H GLU 32 -3.185 -6.718 -9.540 238 HA GLU 32 HA GLU 32 -3.364 -9.168 -10.986 239 HB2 GLU 32 HB3 GLU 32 -1.205 -7.039 -10.901 240 HB3 GLU 32 HB2 GLU 32 -1.130 -8.411 -12.002 241 HG2 GLU 32 HG3 GLU 32 -3.502 -6.521 -11.864 242 HG3 GLU 32 HG2 GLU 32 -2.156 -6.302 -12.982 243 H ASN 33 H ASN 33 -0.696 -8.016 -8.889 244 HA ASN 33 HA ASN 33 -0.381 -10.402 -7.430 245 HB2 ASN 33 HB3 ASN 33 1.838 -11.137 -8.738 246 HB3 ASN 33 HB2 ASN 33 0.264 -11.738 -9.250 247 HD21 ASN 33 HD22 ASN 33 0.415 -11.780 -11.514 248 HD22 ASN 33 HD21 ASN 33 0.888 -10.458 -12.467 249 HA PRO 34 HA PRO 34 2.403 -7.753 -5.236 250 HB2 PRO 34 HB2 PRO 34 4.469 -9.570 -4.580 251 HB3 PRO 34 HB3 PRO 34 2.995 -9.288 -3.634 252 HG2 PRO 34 HG3 PRO 34 3.593 -11.446 -5.604 253 HG3 PRO 34 HG2 PRO 34 2.672 -11.522 -4.089 254 HD2 PRO 34 HD3 PRO 34 1.410 -11.492 -6.462 255 HD3 PRO 34 HD2 PRO 34 0.733 -10.617 -5.069 256 H MET 35 H MET 35 3.211 -9.215 -8.162 257 HA MET 35 HA MET 35 5.979 -8.282 -8.350 258 HB2 MET 35 HB3 MET 35 4.036 -9.248 -10.469 259 HB3 MET 35 HB2 MET 35 5.748 -8.932 -10.744 260 HG2 MET 35 HG3 MET 35 6.261 -10.596 -8.909 261 HG3 MET 35 HG2 MET 35 4.547 -11.009 -8.894 262 HE1 MET 35 HE1 MET 35 3.315 -11.325 -11.426 263 HE2 MET 35 HE2 MET 35 3.490 -12.656 -10.275 264 HE3 MET 35 HE3 MET 35 3.821 -12.916 -11.986 265 H ASN 36 H ASN 36 3.004 -6.717 -8.499 266 HA ASN 36 HA ASN 36 3.483 -4.859 -10.636 267 HB2 ASN 36 HB3 ASN 36 1.810 -4.512 -8.136 268 HB3 ASN 36 HB2 ASN 36 1.701 -3.530 -9.598 269 HD21 ASN 36 HD22 ASN 36 0.280 -6.143 -8.085 270 HD22 ASN 36 HD21 ASN 36 -0.377 -6.922 -9.435 271 H ILE 37 H ILE 37 4.403 -4.880 -7.224 272 HA ILE 37 HA ILE 37 5.108 -2.155 -6.972 273 HB ILE 37 HB ILE 37 5.044 -3.816 -5.089 274 HG12 ILE 37 HG13 ILE 37 7.031 -2.905 -3.890 275 HG13 ILE 37 HG12 ILE 37 7.650 -2.281 -5.415 276 HG21 ILE 37 HG21 ILE 37 6.343 -5.567 -6.407 277 HG22 ILE 37 HG22 ILE 37 6.854 -5.342 -4.735 278 HG23 ILE 37 HG23 ILE 37 7.798 -4.639 -6.046 279 HD11 ILE 37 HD11 ILE 37 6.215 -0.749 -3.772 280 HD12 ILE 37 HD12 ILE 37 4.863 -1.499 -4.619 281 HD13 ILE 37 HD13 ILE 37 6.077 -0.587 -5.517 282 H MET 38 H MET 38 6.789 -4.818 -8.516 283 HA MET 38 HA MET 38 9.365 -3.640 -8.767 284 HB2 MET 38 HB3 MET 38 7.848 -5.502 -10.623 285 HB3 MET 38 HB2 MET 38 9.548 -5.087 -10.835 286 HG2 MET 38 HG3 MET 38 9.835 -5.896 -8.372 287 HG3 MET 38 HG2 MET 38 8.267 -6.669 -8.603 288 HE1 MET 38 HE1 MET 38 7.897 -8.845 -9.666 289 HE2 MET 38 HE2 MET 38 8.732 -9.370 -11.133 290 HE3 MET 38 HE3 MET 38 7.855 -7.843 -11.114 291 H LYS 39 H LYS 39 6.357 -3.067 -10.478 292 HA LYS 39 HA LYS 39 7.567 -1.507 -12.621 293 HB2 LYS 39 HB3 LYS 39 4.704 -1.615 -11.612 294 HB3 LYS 39 HB2 LYS 39 5.221 -0.836 -13.105 295 HG2 LYS 39 HG3 LYS 39 5.930 -3.734 -12.643 296 HG3 LYS 39 HG2 LYS 39 4.294 -3.330 -13.152 297 HD2 LYS 39 HD3 LYS 39 6.615 -2.144 -14.676 298 HD3 LYS 39 HD2 LYS 39 6.173 -3.824 -14.966 299 HE2 LYS 39 HE3 LYS 39 3.945 -3.213 -15.630 300 HE3 LYS 39 HE2 LYS 39 4.173 -1.550 -15.091 301 HZ1 LYS 39 HZ1 LYS 39 4.414 -1.962 -17.545 302 HZ2 LYS 39 HZ2 LYS 39 5.851 -2.790 -17.191 303 HZ3 LYS 39 HZ3 LYS 39 5.706 -1.142 -16.805 304 H TYR 40 H TYR 40 5.818 -0.721 -9.604 305 HA TYR 40 HA TYR 40 6.212 2.143 -9.945 306 HB2 TYR 40 HB3 TYR 40 5.387 0.527 -7.512 307 HB3 TYR 40 HB2 TYR 40 5.269 2.272 -7.677 308 HD1 TYR 40 HD1 TYR 40 3.792 3.274 -9.432 309 HD2 TYR 40 HD2 TYR 40 3.725 -0.913 -8.481 310 HE1 TYR 40 HE1 TYR 40 1.596 3.057 -10.559 311 HE2 TYR 40 HE2 TYR 40 1.528 -1.132 -9.609 312 HH TYR 40 HH TYR 40 -0.444 1.345 -10.291 313 H GLN 41 H GLN 41 8.400 -0.203 -9.400 314 HA GLN 41 HA GLN 41 9.832 0.493 -7.080 315 HB2 GLN 41 HB3 GLN 41 11.765 -0.524 -8.113 316 HB3 GLN 41 HB2 GLN 41 10.344 -1.431 -8.619 317 HG2 GLN 41 HG3 GLN 41 11.455 -1.152 -10.665 318 HG3 GLN 41 HG2 GLN 41 10.358 0.227 -10.682 319 HE21 GLN 41 HE22 GLN 41 13.724 -0.654 -9.740 320 HE22 GLN 41 HE21 GLN 41 14.376 0.879 -10.065 321 H ASN 42 H ASN 42 9.505 2.203 -10.093 322 HA ASN 42 HA ASN 42 11.745 4.031 -9.571 323 HB2 ASN 42 HB3 ASN 42 10.788 5.277 -11.531 324 HB3 ASN 42 HB2 ASN 42 11.134 3.586 -11.892 325 HD21 ASN 42 HD22 ASN 42 9.479 2.865 -13.249 326 HD22 ASN 42 HD21 ASN 42 7.824 3.133 -12.984 327 H ASP 43 H ASP 43 8.340 3.794 -8.880 328 HA ASP 43 HA ASP 43 8.040 6.631 -8.199 329 HB2 ASP 43 HB3 ASP 43 6.201 5.005 -9.042 330 HB3 ASP 43 HB2 ASP 43 6.167 4.394 -7.391 331 H LYS 44 H LYS 44 9.757 6.831 -6.607 332 HA LYS 44 HA LYS 44 10.217 5.252 -4.381 333 HB2 LYS 44 HB3 LYS 44 11.566 7.243 -5.061 334 HB3 LYS 44 HB2 LYS 44 10.297 8.276 -4.403 335 HG2 LYS 44 HG3 LYS 44 10.619 7.349 -2.180 336 HG3 LYS 44 HG2 LYS 44 11.775 6.170 -2.800 337 HD2 LYS 44 HD3 LYS 44 13.326 7.938 -3.417 338 HD3 LYS 44 HD2 LYS 44 12.151 9.174 -2.965 339 HE2 LYS 44 HE3 LYS 44 13.769 8.904 -1.157 340 HE3 LYS 44 HE2 LYS 44 12.196 8.310 -0.625 341 HZ1 LYS 44 HZ1 LYS 44 13.838 6.722 -0.011 342 HZ2 LYS 44 HZ2 LYS 44 14.495 6.693 -1.574 343 HZ3 LYS 44 HZ3 LYS 44 12.945 6.057 -1.294 344 H GLU 45 H GLU 45 7.541 7.424 -4.951 345 HA GLU 45 HA GLU 45 6.689 7.720 -2.227 346 HB2 GLU 45 HB3 GLU 45 5.878 9.074 -4.219 347 HB3 GLU 45 HB2 GLU 45 4.906 7.679 -4.682 348 HG2 GLU 45 HG3 GLU 45 3.474 9.131 -3.406 349 HG3 GLU 45 HG2 GLU 45 3.864 7.763 -2.366 350 H VAL 46 H VAL 46 5.624 5.460 -4.787 351 HA VAL 46 HA VAL 46 3.842 3.968 -3.138 352 HB VAL 46 HB VAL 46 5.420 3.051 -5.555 353 HG11 VAL 46 HG11 VAL 46 2.979 1.924 -4.155 354 HG12 VAL 46 HG12 VAL 46 4.530 1.124 -4.410 355 HG13 VAL 46 HG13 VAL 46 3.469 1.444 -5.780 356 HG21 VAL 46 HG21 VAL 46 2.586 4.121 -5.385 357 HG22 VAL 46 HG22 VAL 46 3.475 3.705 -6.851 358 HG23 VAL 46 HG23 VAL 46 3.973 5.090 -5.881 359 H MET 47 H MET 47 7.312 3.561 -3.843 360 HA MET 47 HA MET 47 7.631 1.046 -2.535 361 HB2 MET 47 HB3 MET 47 9.596 3.329 -2.899 362 HB3 MET 47 HB2 MET 47 10.041 1.721 -2.328 363 HG2 MET 47 HG3 MET 47 8.612 2.203 -4.957 364 HG3 MET 47 HG2 MET 47 10.366 2.102 -4.818 365 HE1 MET 47 HE1 MET 47 11.448 0.044 -3.305 366 HE2 MET 47 HE2 MET 47 11.632 0.071 -5.064 367 HE3 MET 47 HE3 MET 47 11.253 -1.438 -4.238 368 H ASP 48 H ASP 48 7.758 4.354 -1.291 369 HA ASP 48 HA ASP 48 8.656 3.755 1.344 370 HB2 ASP 48 HB3 ASP 48 6.874 5.928 0.214 371 HB3 ASP 48 HB2 ASP 48 7.363 5.904 1.909 372 H VAL 49 H VAL 49 5.351 4.176 0.125 373 HA VAL 49 HA VAL 49 4.092 3.418 2.602 374 HB VAL 49 HB VAL 49 3.017 4.892 0.969 375 HG11 VAL 49 HG11 VAL 49 2.867 2.481 -0.834 376 HG12 VAL 49 HG12 VAL 49 4.004 3.812 -1.012 377 HG13 VAL 49 HG13 VAL 49 2.283 4.105 -1.171 378 HG21 VAL 49 HG21 VAL 49 1.499 2.275 1.143 379 HG22 VAL 49 HG22 VAL 49 0.813 3.884 0.937 380 HG23 VAL 49 HG23 VAL 49 1.599 3.450 2.454 381 H PHE 50 H PHE 50 4.790 1.633 -0.414 382 HA PHE 50 HA PHE 50 3.360 -0.720 0.480 383 HB2 PHE 50 HB3 PHE 50 4.334 0.117 -1.964 384 HB3 PHE 50 HB2 PHE 50 5.464 -1.168 -1.554 385 HD1 PHE 50 HD2 PHE 50 4.473 -3.424 -0.769 386 HD2 PHE 50 HD1 PHE 50 2.161 -0.402 -2.767 387 HE1 PHE 50 HE2 PHE 50 2.757 -5.113 -1.350 388 HE2 PHE 50 HE1 PHE 50 0.447 -2.091 -3.343 389 HZ PHE 50 HZ PHE 50 0.744 -4.450 -2.637 390 H ASN 51 H ASN 51 6.651 0.442 0.836 391 HA ASN 51 HA ASN 51 7.717 -2.117 1.750 392 HB2 ASN 51 HB3 ASN 51 8.725 0.737 2.006 393 HB3 ASN 51 HB2 ASN 51 9.614 -0.665 2.596 394 HD21 ASN 51 HD22 ASN 51 7.690 -1.033 -0.313 395 HD22 ASN 51 HD21 ASN 51 8.993 -1.083 -1.400 396 H LYS 52 H LYS 52 6.050 0.616 3.102 397 HA LYS 52 HA LYS 52 6.617 -0.065 5.893 398 HB2 LYS 52 HB3 LYS 52 6.057 2.255 5.192 399 HB3 LYS 52 HB2 LYS 52 4.460 1.705 4.694 400 HG2 LYS 52 HG3 LYS 52 3.879 1.091 6.946 401 HG3 LYS 52 HG2 LYS 52 5.523 1.378 7.512 402 HD2 LYS 52 HD3 LYS 52 3.997 3.633 6.202 403 HD3 LYS 52 HD2 LYS 52 3.659 3.225 7.881 404 HE2 LYS 52 HE3 LYS 52 6.395 3.931 6.770 405 HE3 LYS 52 HE2 LYS 52 5.370 4.993 7.732 406 HZ1 LYS 52 HZ1 LYS 52 6.065 4.028 9.582 407 HZ2 LYS 52 HZ2 LYS 52 7.204 3.166 8.668 408 HZ3 LYS 52 HZ3 LYS 52 5.687 2.477 9.000 409 H ILE 53 H ILE 53 3.919 -0.363 3.649 410 HA ILE 53 HA ILE 53 2.042 -1.606 5.341 411 HB ILE 53 HB ILE 53 2.449 -1.148 2.493 412 HG12 ILE 53 HG13 ILE 53 0.727 -0.054 3.851 413 HG13 ILE 53 HG12 ILE 53 0.027 -0.885 2.470 414 HG21 ILE 53 HG21 ILE 53 1.103 -3.755 3.210 415 HG22 ILE 53 HG22 ILE 53 2.540 -3.541 2.204 416 HG23 ILE 53 HG23 ILE 53 0.976 -2.957 1.644 417 HD11 ILE 53 HD11 ILE 53 -0.539 -1.257 5.266 418 HD12 ILE 53 HD12 ILE 53 0.070 -2.771 4.607 419 HD13 ILE 53 HD13 ILE 53 -1.331 -1.991 3.878 420 H SER 54 H SER 54 4.773 -2.949 3.585 421 HA SER 54 HA SER 54 4.021 -5.720 4.170 422 HB2 SER 54 HB3 SER 54 5.327 -4.907 2.142 423 HB3 SER 54 HB2 SER 54 6.709 -4.718 3.215 424 HG SER 54 HG SER 54 6.854 -6.762 2.434 425 H GLN 55 H GLN 55 6.283 -3.367 5.537 426 HA GLN 55 HA GLN 55 7.563 -5.372 7.253 427 HB2 GLN 55 HB3 GLN 55 7.755 -2.352 7.142 428 HB3 GLN 55 HB2 GLN 55 8.712 -3.355 8.233 429 HG2 GLN 55 HG3 GLN 55 9.741 -4.513 6.371 430 HG3 GLN 55 HG2 GLN 55 8.678 -3.701 5.221 431 HE21 GLN 55 HE22 GLN 55 11.738 -3.601 5.619 432 HE22 GLN 55 HE21 GLN 55 12.083 -1.942 5.708 433 H LEU 56 H LEU 56 5.272 -2.686 7.817 434 HA LEU 56 HA LEU 56 5.156 -3.253 10.687 435 HB2 LEU 56 HB3 LEU 56 3.626 -1.431 8.826 436 HB3 LEU 56 HB2 LEU 56 3.108 -1.649 10.497 437 HG LEU 56 HG LEU 56 5.324 -0.940 11.295 438 HD11 LEU 56 HD11 LEU 56 5.918 -0.821 8.331 439 HD12 LEU 56 HD12 LEU 56 6.830 -1.631 9.604 440 HD13 LEU 56 HD13 LEU 56 6.850 0.127 9.493 441 HD21 LEU 56 HD21 LEU 56 3.989 0.920 9.306 442 HD22 LEU 56 HD22 LEU 56 5.210 1.443 10.465 443 HD23 LEU 56 HD23 LEU 56 3.668 0.804 11.035 444 H PHE 57 H PHE 57 4.058 -5.026 8.187 445 HA PHE 57 HA PHE 57 1.671 -6.025 9.720 446 HB2 PHE 57 HB3 PHE 57 2.021 -5.868 6.715 447 HB3 PHE 57 HB2 PHE 57 0.641 -6.568 7.547 448 HD1 PHE 57 HD2 PHE 57 2.621 -3.341 7.487 449 HD2 PHE 57 HD1 PHE 57 -1.240 -5.200 7.902 450 HE1 PHE 57 HE2 PHE 57 1.564 -1.114 7.642 451 HE2 PHE 57 HE1 PHE 57 -2.287 -2.961 8.043 452 HZ PHE 57 HZ PHE 57 -0.891 -0.922 7.919 453 HA PRO 58 HA PRO 58 4.865 -9.374 8.729 454 HB2 PRO 58 HB2 PRO 58 5.503 -10.096 11.287 455 HB3 PRO 58 HB3 PRO 58 6.320 -8.763 10.443 456 HG2 PRO 58 HG3 PRO 58 4.074 -8.640 12.423 457 HG3 PRO 58 HG2 PRO 58 5.551 -7.658 12.342 458 HD2 PRO 58 HD3 PRO 58 3.166 -6.743 11.392 459 HD3 PRO 58 HD2 PRO 58 4.713 -6.297 10.635 460 H GLY 59 H GLY 59 1.842 -9.265 9.187 461 HA2 GLY 59 HA3 GLY 59 0.202 -10.969 9.169 462 HA3 GLY 59 HA2 GLY 59 1.466 -12.149 9.522 463 H MET 60 H MET 60 0.937 -9.237 11.429 464 HA MET 60 HA MET 60 0.832 -10.733 13.884 465 HB2 MET 60 HB3 MET 60 1.575 -8.316 13.620 466 HB3 MET 60 HB2 MET 60 -0.127 -7.887 13.455 467 HG2 MET 60 HG3 MET 60 0.437 -7.574 15.768 468 HG3 MET 60 HG2 MET 60 -0.519 -9.052 15.687 469 HE1 MET 60 HE1 MET 60 0.413 -9.645 18.113 470 HE2 MET 60 HE2 MET 60 1.310 -8.121 18.044 471 HE3 MET 60 HE3 MET 60 2.126 -9.607 18.525 472 H THR 61 H THR 61 -1.704 -8.856 12.179 473 HA THR 61 HA THR 61 -3.853 -9.666 13.854 474 HB THR 61 HB THR 61 -5.313 -8.901 12.090 475 HG1 THR 61 HG1 THR 61 -3.465 -8.448 10.177 476 HG21 THR 61 HG21 THR 61 -3.927 -7.183 13.245 477 HG22 THR 61 HG22 THR 61 -4.345 -6.715 11.597 478 HG23 THR 61 HG23 THR 61 -2.729 -7.322 11.958 479 H GLY 62 H GLY 62 -5.777 -10.980 12.612 480 HA2 GLY 62 HA3 GLY 62 -4.861 -13.711 12.538 481 HA3 GLY 62 HA2 GLY 62 -6.485 -13.165 12.116 Start of MODEL 20 1 H2 PRO 1 H2 PRO 1 -15.473 -3.956 1.122 2 H3 PRO 1 H3 PRO 1 -15.200 -5.569 0.647 3 HA PRO 1 HA PRO 1 -13.505 -5.619 2.066 4 HB2 PRO 1 HB2 PRO 1 -11.578 -3.872 1.134 5 HB3 PRO 1 HB3 PRO 1 -11.926 -5.436 0.370 6 HG2 PRO 1 HG3 PRO 1 -12.760 -2.703 -0.467 7 HG3 PRO 1 HG2 PRO 1 -12.379 -4.122 -1.462 8 HD2 PRO 1 HD3 PRO 1 -14.959 -3.276 -0.906 9 HD3 PRO 1 HD2 PRO 1 -14.533 -4.933 -1.354 10 H GLU 2 H GLU 2 -15.614 -3.436 2.474 11 HA GLU 2 HA GLU 2 -14.473 -1.087 3.548 12 HB2 GLU 2 HB3 GLU 2 -16.893 -2.559 4.630 13 HB3 GLU 2 HB2 GLU 2 -16.533 -0.843 4.820 14 HG2 GLU 2 HG3 GLU 2 -16.634 -0.572 2.350 15 HG3 GLU 2 HG2 GLU 2 -17.079 -2.273 2.202 16 H GLU 3 H GLU 3 -14.576 -4.331 4.830 17 HA GLU 3 HA GLU 3 -14.059 -3.696 7.580 18 HB2 GLU 3 HB3 GLU 3 -13.095 -6.181 6.139 19 HB3 GLU 3 HB2 GLU 3 -13.525 -6.012 7.844 20 HG2 GLU 3 HG3 GLU 3 -15.869 -5.453 7.118 21 HG3 GLU 3 HG2 GLU 3 -15.394 -5.848 5.466 22 H VAL 4 H VAL 4 -11.786 -4.838 5.046 23 HA VAL 4 HA VAL 4 -9.422 -4.364 6.540 24 HB VAL 4 HB VAL 4 -9.835 -4.146 3.541 25 HG11 VAL 4 HG11 VAL 4 -7.719 -3.141 4.141 26 HG12 VAL 4 HG12 VAL 4 -7.376 -4.752 3.515 27 HG13 VAL 4 HG13 VAL 4 -7.350 -4.459 5.254 28 HG21 VAL 4 HG21 VAL 4 -10.545 -6.305 4.516 29 HG22 VAL 4 HG22 VAL 4 -8.973 -6.464 5.298 30 HG23 VAL 4 HG23 VAL 4 -9.090 -6.495 3.538 31 H ILE 5 H ILE 5 -11.101 -2.242 4.212 32 HA ILE 5 HA ILE 5 -9.440 0.010 4.387 33 HB ILE 5 HB ILE 5 -12.464 -0.011 4.259 34 HG12 ILE 5 HG13 ILE 5 -11.102 -1.357 2.477 35 HG13 ILE 5 HG12 ILE 5 -12.323 -0.226 1.911 36 HG21 ILE 5 HG21 ILE 5 -10.387 2.107 3.661 37 HG22 ILE 5 HG22 ILE 5 -11.761 2.204 4.763 38 HG23 ILE 5 HG23 ILE 5 -12.029 2.189 3.021 39 HD11 ILE 5 HD11 ILE 5 -10.049 -0.150 0.731 40 HD12 ILE 5 HD12 ILE 5 -9.424 0.588 2.202 41 HD13 ILE 5 HD13 ILE 5 -10.697 1.390 1.289 42 H SER 6 H SER 6 -11.681 -1.311 6.692 43 HA SER 6 HA SER 6 -11.899 1.049 8.351 44 HB2 SER 6 HB3 SER 6 -13.332 -1.152 8.354 45 HB3 SER 6 HB2 SER 6 -12.102 -1.748 9.464 46 HG SER 6 HG SER 6 -13.170 -0.671 10.912 47 H LYS 7 H LYS 7 -9.653 -1.689 8.235 48 HA LYS 7 HA LYS 7 -8.289 -0.925 10.685 49 HB2 LYS 7 HB3 LYS 7 -6.978 -2.810 10.380 50 HB3 LYS 7 HB2 LYS 7 -8.375 -3.246 9.411 51 HG2 LYS 7 HG3 LYS 7 -6.732 -3.735 7.857 52 HG3 LYS 7 HG2 LYS 7 -6.928 -2.035 7.473 53 HD2 LYS 7 HD3 LYS 7 -4.606 -2.151 7.730 54 HD3 LYS 7 HD2 LYS 7 -5.079 -1.709 9.367 55 HE2 LYS 7 HE3 LYS 7 -5.133 -4.199 9.901 56 HE3 LYS 7 HE2 LYS 7 -4.383 -4.467 8.329 57 HZ1 LYS 7 HZ1 LYS 7 -2.433 -3.982 9.216 58 HZ2 LYS 7 HZ2 LYS 7 -3.155 -3.717 10.727 59 HZ3 LYS 7 HZ3 LYS 7 -2.982 -2.429 9.633 60 H ILE 8 H ILE 8 -7.909 -0.062 7.303 61 HA ILE 8 HA ILE 8 -5.257 0.976 7.437 62 HB ILE 8 HB ILE 8 -7.479 2.213 5.785 63 HG12 ILE 8 HG13 ILE 8 -7.518 -0.299 5.581 64 HG13 ILE 8 HG12 ILE 8 -7.162 0.537 4.081 65 HG21 ILE 8 HG21 ILE 8 -4.491 1.908 5.408 66 HG22 ILE 8 HG22 ILE 8 -5.391 3.402 5.660 67 HG23 ILE 8 HG23 ILE 8 -5.584 2.499 4.157 68 HD11 ILE 8 HD11 ILE 8 -5.087 -0.706 5.906 69 HD12 ILE 8 HD12 ILE 8 -4.781 0.049 4.344 70 HD13 ILE 8 HD13 ILE 8 -5.714 -1.441 4.438 71 H MET 9 H MET 9 -8.323 2.260 8.530 72 HA MET 9 HA MET 9 -7.650 4.996 8.818 73 HB2 MET 9 HB3 MET 9 -9.401 3.226 10.551 74 HB3 MET 9 HB2 MET 9 -9.345 4.984 10.674 75 HG2 MET 9 HG3 MET 9 -9.989 3.531 8.094 76 HG3 MET 9 HG2 MET 9 -11.224 4.072 9.230 77 HE1 MET 9 HE1 MET 9 -12.518 5.693 7.852 78 HE2 MET 9 HE2 MET 9 -11.619 4.995 6.498 79 HE3 MET 9 HE3 MET 9 -11.810 6.742 6.626 80 H GLU 10 H GLU 10 -6.153 2.347 10.215 81 HA GLU 10 HA GLU 10 -5.564 3.225 12.855 82 HB2 GLU 10 HB3 GLU 10 -3.763 1.624 12.795 83 HB3 GLU 10 HB2 GLU 10 -5.090 0.950 11.858 84 HG2 GLU 10 HG3 GLU 10 -3.378 0.593 10.327 85 HG3 GLU 10 HG2 GLU 10 -3.830 2.222 9.838 86 H ASN 11 H ASN 11 -4.286 4.153 9.741 87 HA ASN 11 HA ASN 11 -2.658 6.286 11.047 88 HB2 ASN 11 HB3 ASN 11 -1.712 4.092 9.231 89 HB3 ASN 11 HB2 ASN 11 -1.012 5.689 8.990 90 HD21 ASN 11 HD22 ASN 11 -0.956 6.570 11.736 91 HD22 ASN 11 HD21 ASN 11 0.152 5.597 12.577 92 HA PRO 12 HA PRO 12 -5.512 8.161 7.925 93 HB2 PRO 12 HB2 PRO 12 -3.989 10.515 9.041 94 HB3 PRO 12 HB3 PRO 12 -5.719 10.385 8.647 95 HG2 PRO 12 HG3 PRO 12 -4.932 10.220 11.162 96 HG3 PRO 12 HG2 PRO 12 -6.187 9.125 10.549 97 HD2 PRO 12 HD3 PRO 12 -3.304 8.533 11.146 98 HD3 PRO 12 HD2 PRO 12 -4.728 7.480 11.325 99 H ASP 13 H ASP 13 -2.113 8.041 8.233 100 HA ASP 13 HA ASP 13 -1.385 9.584 5.893 101 HB2 ASP 13 HB3 ASP 13 0.208 9.047 7.740 102 HB3 ASP 13 HB2 ASP 13 0.147 7.350 7.261 103 H VAL 14 H VAL 14 -1.957 6.110 6.528 104 HA VAL 14 HA VAL 14 -1.403 5.353 3.763 105 HB VAL 14 HB VAL 14 -2.934 3.846 5.908 106 HG11 VAL 14 HG11 VAL 14 -1.547 2.967 3.360 107 HG12 VAL 14 HG12 VAL 14 -3.282 2.957 3.663 108 HG13 VAL 14 HG13 VAL 14 -2.227 1.870 4.563 109 HG21 VAL 14 HG21 VAL 14 -0.786 2.742 6.383 110 HG22 VAL 14 HG22 VAL 14 -0.646 4.482 6.636 111 HG23 VAL 14 HG23 VAL 14 0.011 3.748 5.173 112 H ALA 15 H ALA 15 -4.249 6.082 5.704 113 HA ALA 15 HA ALA 15 -6.216 5.397 3.751 114 HB1 ALA 15 HB1 ALA 15 -6.380 7.637 5.780 115 HB2 ALA 15 HB2 ALA 15 -6.592 5.937 6.199 116 HB3 ALA 15 HB3 ALA 15 -7.716 6.719 5.087 117 H MET 16 H MET 16 -4.293 8.297 4.335 118 HA MET 16 HA MET 16 -5.616 9.887 2.280 119 HB2 MET 16 HB3 MET 16 -4.341 10.806 4.282 120 HB3 MET 16 HB2 MET 16 -2.858 10.300 3.475 121 HG2 MET 16 HG3 MET 16 -3.192 12.612 2.909 122 HG3 MET 16 HG2 MET 16 -3.612 11.681 1.472 123 HE1 MET 16 HE1 MET 16 -6.075 14.693 1.422 124 HE2 MET 16 HE2 MET 16 -4.818 13.797 0.558 125 HE3 MET 16 HE3 MET 16 -4.421 14.679 2.030 126 H ALA 17 H ALA 17 -2.765 7.842 2.554 127 HA ALA 17 HA ALA 17 -1.715 8.432 -0.077 128 HB1 ALA 17 HB1 ALA 17 -0.218 6.610 0.308 129 HB2 ALA 17 HB2 ALA 17 -1.319 5.848 1.455 130 HB3 ALA 17 HB3 ALA 17 -0.478 7.335 1.894 131 H PHE 18 H PHE 18 -4.045 6.181 1.263 132 HA PHE 18 HA PHE 18 -4.343 4.421 -0.955 133 HB2 PHE 18 HB3 PHE 18 -5.952 5.275 1.389 134 HB3 PHE 18 HB2 PHE 18 -6.911 4.678 0.043 135 HD1 PHE 18 HD2 PHE 18 -3.483 3.591 1.094 136 HD2 PHE 18 HD1 PHE 18 -7.648 2.557 0.828 137 HE1 PHE 18 HE2 PHE 18 -2.955 1.270 1.773 138 HE2 PHE 18 HE1 PHE 18 -7.115 0.240 1.513 139 HZ PHE 18 HZ PHE 18 -4.768 -0.409 1.981 140 H GLN 19 H GLN 19 -5.213 7.746 -0.518 141 HA GLN 19 HA GLN 19 -7.058 7.768 -2.837 142 HB2 GLN 19 HB3 GLN 19 -6.073 9.975 -1.003 143 HB3 GLN 19 HB2 GLN 19 -7.251 10.196 -2.297 144 HG2 GLN 19 HG3 GLN 19 -8.711 8.491 -1.216 145 HG3 GLN 19 HG2 GLN 19 -7.555 8.380 0.112 146 HE21 GLN 19 HE22 GLN 19 -10.280 9.272 0.496 147 HE22 GLN 19 HE21 GLN 19 -10.231 10.902 0.969 148 H ASN 20 H ASN 20 -4.101 7.156 -3.073 149 HA ASN 20 HA ASN 20 -3.278 9.419 -4.853 150 HB2 ASN 20 HB3 ASN 20 -1.660 7.271 -3.448 151 HB3 ASN 20 HB2 ASN 20 -0.982 8.370 -4.642 152 HD21 ASN 20 HD22 ASN 20 -3.450 9.197 -2.184 153 HD22 ASN 20 HD21 ASN 20 -2.481 10.321 -1.360 154 HA PRO 21 HA PRO 21 -4.079 6.580 -8.165 155 HB2 PRO 21 HB2 PRO 21 -2.499 7.603 -10.162 156 HB3 PRO 21 HB3 PRO 21 -3.984 8.405 -9.606 157 HG2 PRO 21 HG3 PRO 21 -1.141 8.975 -8.853 158 HG3 PRO 21 HG2 PRO 21 -2.438 10.110 -9.273 159 HD2 PRO 21 HD3 PRO 21 -1.753 9.611 -6.683 160 HD3 PRO 21 HD2 PRO 21 -3.430 9.971 -7.159 161 H ARG 22 H ARG 22 -0.625 7.299 -7.620 162 HA ARG 22 HA ARG 22 0.363 4.942 -8.918 163 HB2 ARG 22 HB3 ARG 22 1.707 6.342 -6.592 164 HB3 ARG 22 HB2 ARG 22 2.468 5.470 -7.922 165 HG2 ARG 22 HG3 ARG 22 1.520 7.186 -9.500 166 HG3 ARG 22 HG2 ARG 22 0.963 8.095 -8.096 167 HD2 ARG 22 HD3 ARG 22 3.072 9.050 -8.704 168 HD3 ARG 22 HD2 ARG 22 3.380 8.065 -7.275 169 HE ARG 22 HE ARG 22 4.742 6.681 -8.608 170 HH11 ARG 22 HH22 ARG 22 2.584 8.572 -10.527 171 HH12 ARG 22 HH21 ARG 22 3.265 8.057 -12.034 172 HH21 ARG 22 HH11 ARG 22 5.639 6.002 -10.565 173 HH22 ARG 22 HH12 ARG 22 4.993 6.603 -12.056 174 H VAL 23 H VAL 23 -0.867 5.555 -5.686 175 HA VAL 23 HA VAL 23 0.052 3.031 -4.566 176 HB VAL 23 HB VAL 23 -2.117 4.950 -3.652 177 HG11 VAL 23 HG11 VAL 23 -2.563 2.795 -2.662 178 HG12 VAL 23 HG12 VAL 23 -1.762 3.770 -1.433 179 HG13 VAL 23 HG13 VAL 23 -0.853 2.541 -2.311 180 HG21 VAL 23 HG21 VAL 23 0.226 5.843 -3.723 181 HG22 VAL 23 HG22 VAL 23 0.720 4.526 -2.660 182 HG23 VAL 23 HG23 VAL 23 -0.420 5.742 -2.084 183 H GLN 24 H GLN 24 -3.155 4.227 -5.652 184 HA GLN 24 HA GLN 24 -4.578 1.804 -5.356 185 HB2 GLN 24 HB3 GLN 24 -4.846 3.975 -7.461 186 HB3 GLN 24 HB2 GLN 24 -6.012 2.668 -7.251 187 HG2 GLN 24 HG3 GLN 24 -6.484 3.383 -4.977 188 HG3 GLN 24 HG2 GLN 24 -5.215 4.605 -5.059 189 HE21 GLN 24 HE22 GLN 24 -5.943 6.660 -5.616 190 HE22 GLN 24 HE21 GLN 24 -7.369 6.991 -6.475 191 H ALA 25 H ALA 25 -2.358 2.882 -7.858 192 HA ALA 25 HA ALA 25 -2.833 0.687 -9.682 193 HB1 ALA 25 HB1 ALA 25 -0.632 1.402 -10.654 194 HB2 ALA 25 HB2 ALA 25 -0.448 2.531 -9.312 195 HB3 ALA 25 HB3 ALA 25 -1.764 2.742 -10.467 196 H ALA 26 H ALA 26 -0.761 1.213 -6.889 197 HA ALA 26 HA ALA 26 0.884 -1.125 -7.272 198 HB1 ALA 26 HB1 ALA 26 1.557 -0.792 -4.961 199 HB2 ALA 26 HB2 ALA 26 0.158 0.238 -4.660 200 HB3 ALA 26 HB3 ALA 26 1.442 0.788 -5.736 201 H LEU 27 H LEU 27 -2.171 -0.494 -5.566 202 HA LEU 27 HA LEU 27 -2.404 -3.185 -4.496 203 HB2 LEU 27 HB3 LEU 27 -4.250 -0.818 -4.784 204 HB3 LEU 27 HB2 LEU 27 -4.940 -2.390 -4.384 205 HG LEU 27 HG LEU 27 -3.416 -2.554 -2.438 206 HD11 LEU 27 HD11 LEU 27 -2.575 0.211 -3.355 207 HD12 LEU 27 HD12 LEU 27 -1.555 -1.219 -3.210 208 HD13 LEU 27 HD13 LEU 27 -2.201 -0.450 -1.763 209 HD21 LEU 27 HD21 LEU 27 -5.645 -1.602 -2.114 210 HD22 LEU 27 HD22 LEU 27 -5.062 -0.010 -2.597 211 HD23 LEU 27 HD23 LEU 27 -4.488 -0.741 -1.099 212 H MET 28 H MET 28 -3.846 -1.487 -7.293 213 HA MET 28 HA MET 28 -5.355 -3.684 -8.280 214 HB2 MET 28 HB3 MET 28 -5.524 -1.332 -9.129 215 HB3 MET 28 HB2 MET 28 -3.960 -1.543 -9.917 216 HG2 MET 28 HG3 MET 28 -4.837 -3.340 -11.297 217 HG3 MET 28 HG2 MET 28 -6.370 -3.309 -10.428 218 HE1 MET 28 HE1 MET 28 -3.845 -0.883 -12.219 219 HE2 MET 28 HE2 MET 28 -4.813 -0.473 -13.641 220 HE3 MET 28 HE3 MET 28 -4.368 -2.148 -13.328 221 H GLU 29 H GLU 29 -1.984 -2.709 -8.845 222 HA GLU 29 HA GLU 29 -1.442 -4.920 -10.656 223 HB2 GLU 29 HB3 GLU 29 -0.148 -2.768 -10.631 224 HB3 GLU 29 HB2 GLU 29 0.527 -3.243 -9.072 225 HG2 GLU 29 HG3 GLU 29 1.597 -5.178 -10.033 226 HG3 GLU 29 HG2 GLU 29 0.753 -4.955 -11.565 227 H CYS 30 H CYS 30 -1.292 -4.409 -7.177 228 HA CYS 30 HA CYS 30 0.421 -6.580 -6.484 229 HB2 CYS 30 HB3 CYS 30 -0.315 -4.941 -4.814 230 HB3 CYS 30 HB2 CYS 30 -1.979 -5.498 -4.977 231 HG CYS 30 HG CYS 30 -1.463 -7.522 -3.606 232 H SER 31 H SER 31 -3.033 -6.510 -7.255 233 HA SER 31 HA SER 31 -3.796 -9.061 -6.468 234 HB2 SER 31 HB3 SER 31 -5.538 -8.929 -8.134 235 HB3 SER 31 HB2 SER 31 -5.277 -7.307 -7.500 236 HG SER 31 HG SER 31 -4.686 -6.712 -9.419 237 H GLU 32 H GLU 32 -1.727 -8.118 -9.121 238 HA GLU 32 HA GLU 32 -1.870 -10.602 -10.587 239 HB2 GLU 32 HB3 GLU 32 0.330 -8.514 -10.464 240 HB3 GLU 32 HB2 GLU 32 0.225 -9.806 -11.660 241 HG2 GLU 32 HG3 GLU 32 -1.951 -7.736 -11.232 242 HG3 GLU 32 HG2 GLU 32 -0.687 -7.587 -12.453 243 H ASN 33 H ASN 33 0.649 -9.306 -8.398 244 HA ASN 33 HA ASN 33 1.035 -11.647 -6.892 245 HB2 ASN 33 HB3 ASN 33 3.331 -12.280 -8.109 246 HB3 ASN 33 HB2 ASN 33 1.812 -12.969 -8.670 247 HD21 ASN 33 HD22 ASN 33 2.814 -13.138 -10.858 248 HD22 ASN 33 HD21 ASN 33 2.931 -11.758 -11.840 249 HA PRO 34 HA PRO 34 3.654 -8.937 -4.522 250 HB2 PRO 34 HB2 PRO 34 5.770 -11.076 -4.722 251 HB3 PRO 34 HB3 PRO 34 5.221 -10.173 -3.293 252 HG2 PRO 34 HG3 PRO 34 4.402 -12.660 -3.703 253 HG3 PRO 34 HG2 PRO 34 3.284 -11.430 -3.081 254 HD2 PRO 34 HD3 PRO 34 3.405 -12.643 -5.814 255 HD3 PRO 34 HD2 PRO 34 2.007 -12.013 -4.916 256 H MET 35 H MET 35 4.551 -10.033 -7.632 257 HA MET 35 HA MET 35 7.115 -8.803 -7.934 258 HB2 MET 35 HB3 MET 35 4.931 -9.349 -9.968 259 HB3 MET 35 HB2 MET 35 6.569 -8.842 -10.380 260 HG2 MET 35 HG3 MET 35 7.495 -10.840 -9.329 261 HG3 MET 35 HG2 MET 35 5.890 -11.331 -8.786 262 HE1 MET 35 HE1 MET 35 8.270 -12.702 -10.710 263 HE2 MET 35 HE2 MET 35 7.231 -13.718 -11.719 264 HE3 MET 35 HE3 MET 35 6.938 -13.600 -9.986 265 H ASN 36 H ASN 36 4.113 -7.453 -7.318 266 HA ASN 36 HA ASN 36 4.097 -5.123 -8.927 267 HB2 ASN 36 HB3 ASN 36 2.882 -4.118 -6.824 268 HB3 ASN 36 HB2 ASN 36 2.124 -5.459 -7.681 269 HD21 ASN 36 HD22 ASN 36 3.725 -4.526 -4.693 270 HD22 ASN 36 HD21 ASN 36 3.471 -5.994 -3.879 271 H ILE 37 H ILE 37 5.190 -5.372 -5.541 272 HA ILE 37 HA ILE 37 6.429 -2.824 -5.508 273 HB ILE 37 HB ILE 37 5.793 -4.338 -3.527 274 HG12 ILE 37 HG13 ILE 37 7.695 -3.461 -2.124 275 HG13 ILE 37 HG12 ILE 37 8.496 -2.955 -3.608 276 HG21 ILE 37 HG21 ILE 37 7.144 -6.296 -4.454 277 HG22 ILE 37 HG22 ILE 37 7.371 -5.946 -2.741 278 HG23 ILE 37 HG23 ILE 37 8.588 -5.440 -3.912 279 HD11 ILE 37 HD11 ILE 37 5.672 -2.038 -3.275 280 HD12 ILE 37 HD12 ILE 37 7.070 -1.187 -3.934 281 HD13 ILE 37 HD13 ILE 37 6.863 -1.326 -2.192 282 H MET 38 H MET 38 7.588 -5.933 -6.617 283 HA MET 38 HA MET 38 10.379 -5.374 -6.652 284 HB2 MET 38 HB3 MET 38 8.689 -7.086 -8.494 285 HB3 MET 38 HB2 MET 38 10.451 -7.086 -8.488 286 HG2 MET 38 HG3 MET 38 10.405 -7.709 -6.071 287 HG3 MET 38 HG2 MET 38 8.647 -7.813 -6.163 288 HE1 MET 38 HE1 MET 38 9.837 -11.498 -5.893 289 HE2 MET 38 HE2 MET 38 9.207 -10.071 -5.058 290 HE3 MET 38 HE3 MET 38 10.931 -10.212 -5.392 291 H LYS 39 H LYS 39 8.016 -3.603 -8.098 292 HA LYS 39 HA LYS 39 9.851 -2.667 -10.283 293 HB2 LYS 39 HB3 LYS 39 6.825 -2.867 -10.368 294 HB3 LYS 39 HB2 LYS 39 7.843 -2.188 -11.638 295 HG2 LYS 39 HG3 LYS 39 9.044 -4.438 -11.711 296 HG3 LYS 39 HG2 LYS 39 7.761 -5.061 -10.677 297 HD2 LYS 39 HD3 LYS 39 7.329 -3.755 -13.384 298 HD3 LYS 39 HD2 LYS 39 7.324 -5.492 -13.091 299 HE2 LYS 39 HE3 LYS 39 5.474 -5.011 -11.344 300 HE3 LYS 39 HE2 LYS 39 5.342 -3.429 -12.115 301 HZ1 LYS 39 HZ1 LYS 39 4.453 -4.304 -13.968 302 HZ2 LYS 39 HZ2 LYS 39 4.001 -5.565 -12.928 303 HZ3 LYS 39 HZ3 LYS 39 5.388 -5.722 -13.897 304 H TYR 40 H TYR 40 7.218 -1.800 -8.024 305 HA TYR 40 HA TYR 40 7.450 1.037 -8.559 306 HB2 TYR 40 HB3 TYR 40 6.217 -0.418 -6.200 307 HB3 TYR 40 HB2 TYR 40 5.995 1.277 -6.602 308 HD1 TYR 40 HD2 TYR 40 5.244 1.762 -9.085 309 HD2 TYR 40 HD1 TYR 40 4.588 -1.938 -7.000 310 HE1 TYR 40 HE2 TYR 40 3.395 1.215 -10.642 311 HE2 TYR 40 HE1 TYR 40 2.737 -2.481 -8.558 312 HH TYR 40 HH TYR 40 2.211 -0.784 -11.459 313 H GLN 41 H GLN 41 9.576 -1.034 -7.082 314 HA GLN 41 HA GLN 41 10.328 0.193 -4.663 315 HB2 GLN 41 HB3 GLN 41 11.737 -1.405 -6.755 316 HB3 GLN 41 HB2 GLN 41 12.776 -0.497 -5.658 317 HG2 GLN 41 HG3 GLN 41 11.824 -1.584 -3.730 318 HG3 GLN 41 HG2 GLN 41 10.563 -2.335 -4.704 319 HE21 GLN 41 HE22 GLN 41 13.438 -3.062 -3.216 320 HE22 GLN 41 HE21 GLN 41 13.969 -4.322 -4.222 321 H ASN 42 H ASN 42 10.681 1.348 -7.931 322 HA ASN 42 HA ASN 42 12.604 3.456 -7.201 323 HB2 ASN 42 HB3 ASN 42 12.254 4.209 -9.544 324 HB3 ASN 42 HB2 ASN 42 12.672 2.497 -9.463 325 HD21 ASN 42 HD22 ASN 42 11.008 4.034 -11.515 326 HD22 ASN 42 HD21 ASN 42 9.536 3.191 -11.583 327 H ASP 43 H ASP 43 9.157 3.008 -7.428 328 HA ASP 43 HA ASP 43 8.493 5.845 -7.519 329 HB2 ASP 43 HB3 ASP 43 7.005 3.952 -8.315 330 HB3 ASP 43 HB2 ASP 43 6.744 3.537 -6.624 331 H LYS 44 H LYS 44 9.667 6.746 -5.742 332 HA LYS 44 HA LYS 44 9.845 5.834 -3.144 333 HB2 LYS 44 HB3 LYS 44 9.686 8.632 -4.252 334 HB3 LYS 44 HB2 LYS 44 9.912 8.348 -2.525 335 HG2 LYS 44 HG3 LYS 44 11.974 7.191 -2.883 336 HG3 LYS 44 HG2 LYS 44 11.690 7.070 -4.617 337 HD2 LYS 44 HD3 LYS 44 13.344 8.844 -4.058 338 HD3 LYS 44 HD2 LYS 44 11.918 9.490 -4.868 339 HE2 LYS 44 HE3 LYS 44 12.773 10.754 -2.772 340 HE3 LYS 44 HE2 LYS 44 11.047 10.405 -2.860 341 HZ1 LYS 44 HZ1 LYS 44 12.525 9.806 -0.757 342 HZ2 LYS 44 HZ2 LYS 44 12.738 8.372 -1.637 343 HZ3 LYS 44 HZ3 LYS 44 11.174 8.885 -1.216 344 H GLU 45 H GLU 45 7.009 7.077 -4.715 345 HA GLU 45 HA GLU 45 5.587 7.770 -2.282 346 HB2 GLU 45 HB3 GLU 45 4.979 8.604 -4.580 347 HB3 GLU 45 HB2 GLU 45 4.421 6.976 -4.969 348 HG2 GLU 45 HG3 GLU 45 2.754 7.063 -3.208 349 HG3 GLU 45 HG2 GLU 45 3.379 8.610 -2.636 350 H VAL 46 H VAL 46 5.405 4.961 -4.492 351 HA VAL 46 HA VAL 46 3.632 3.453 -2.821 352 HB VAL 46 HB VAL 46 5.633 2.460 -4.850 353 HG11 VAL 46 HG11 VAL 46 3.146 1.225 -3.646 354 HG12 VAL 46 HG12 VAL 46 4.800 0.624 -3.519 355 HG13 VAL 46 HG13 VAL 46 3.962 0.578 -5.069 356 HG21 VAL 46 HG21 VAL 46 2.710 3.164 -5.228 357 HG22 VAL 46 HG22 VAL 46 3.831 2.624 -6.477 358 HG23 VAL 46 HG23 VAL 46 4.048 4.200 -5.719 359 H MET 47 H MET 47 7.187 3.622 -2.992 360 HA MET 47 HA MET 47 7.612 1.321 -1.341 361 HB2 MET 47 HB3 MET 47 9.876 1.822 -1.414 362 HB3 MET 47 HB2 MET 47 9.314 2.729 -2.811 363 HG2 MET 47 HG3 MET 47 10.699 4.255 -1.663 364 HG3 MET 47 HG2 MET 47 9.080 4.724 -1.156 365 HE1 MET 47 HE1 MET 47 11.688 5.164 1.841 366 HE2 MET 47 HE2 MET 47 10.744 6.002 0.601 367 HE3 MET 47 HE3 MET 47 12.168 5.070 0.148 368 H ASP 48 H ASP 48 7.290 4.769 -0.498 369 HA ASP 48 HA ASP 48 7.778 4.429 2.299 370 HB2 ASP 48 HB3 ASP 48 7.467 6.612 0.882 371 HB3 ASP 48 HB2 ASP 48 5.750 6.399 1.211 372 H VAL 49 H VAL 49 4.919 4.049 0.307 373 HA VAL 49 HA VAL 49 3.076 3.665 2.515 374 HB VAL 49 HB VAL 49 2.891 3.037 -0.444 375 HG11 VAL 49 HG11 VAL 49 1.215 1.756 0.702 376 HG12 VAL 49 HG12 VAL 49 0.411 3.169 0.020 377 HG13 VAL 49 HG13 VAL 49 0.800 3.120 1.740 378 HG21 VAL 49 HG21 VAL 49 3.299 5.463 0.318 379 HG22 VAL 49 HG22 VAL 49 1.707 5.385 1.065 380 HG23 VAL 49 HG23 VAL 49 1.874 5.190 -0.678 381 H PHE 50 H PHE 50 4.394 1.451 0.058 382 HA PHE 50 HA PHE 50 3.345 -0.907 1.280 383 HB2 PHE 50 HB3 PHE 50 5.097 -0.235 -0.986 384 HB3 PHE 50 HB2 PHE 50 5.560 -1.747 -0.212 385 HD1 PHE 50 HD1 PHE 50 2.655 0.121 -1.591 386 HD2 PHE 50 HD2 PHE 50 4.267 -3.728 -0.582 387 HE1 PHE 50 HE1 PHE 50 0.709 -0.968 -2.654 388 HE2 PHE 50 HE2 PHE 50 2.316 -4.822 -1.651 389 HZ PHE 50 HZ PHE 50 0.535 -3.444 -2.692 390 H ASN 51 H ASN 51 6.181 1.003 1.884 391 HA ASN 51 HA ASN 51 7.549 -1.084 3.426 392 HB2 ASN 51 HB3 ASN 51 8.847 0.716 2.332 393 HB3 ASN 51 HB2 ASN 51 8.022 1.916 3.331 394 HD21 ASN 51 HD22 ASN 51 9.981 2.559 4.458 395 HD22 ASN 51 HD21 ASN 51 10.754 1.528 5.563 396 H LYS 52 H LYS 52 5.187 1.438 3.983 397 HA LYS 52 HA LYS 52 5.511 1.377 6.902 398 HB2 LYS 52 HB3 LYS 52 4.656 3.418 5.901 399 HB3 LYS 52 HB2 LYS 52 3.361 2.535 5.095 400 HG2 LYS 52 HG3 LYS 52 2.277 2.035 7.172 401 HG3 LYS 52 HG2 LYS 52 3.667 2.575 8.110 402 HD2 LYS 52 HD3 LYS 52 2.031 4.390 6.308 403 HD3 LYS 52 HD2 LYS 52 1.750 4.223 8.038 404 HE2 LYS 52 HE3 LYS 52 3.181 6.037 8.113 405 HE3 LYS 52 HE2 LYS 52 4.413 4.778 8.081 406 HZ1 LYS 52 HZ1 LYS 52 5.055 5.388 6.056 407 HZ2 LYS 52 HZ2 LYS 52 4.140 6.798 6.283 408 HZ3 LYS 52 HZ3 LYS 52 3.462 5.470 5.469 409 H ILE 53 H ILE 53 3.230 0.217 4.501 410 HA ILE 53 HA ILE 53 1.381 -1.139 6.102 411 HB ILE 53 HB ILE 53 2.335 -1.194 3.313 412 HG12 ILE 53 HG13 ILE 53 -0.045 -1.222 2.817 413 HG13 ILE 53 HG12 ILE 53 -0.415 -1.616 4.493 414 HG21 ILE 53 HG21 ILE 53 2.662 -3.551 3.605 415 HG22 ILE 53 HG22 ILE 53 1.143 -3.329 2.741 416 HG23 ILE 53 HG23 ILE 53 1.127 -3.715 4.458 417 HD11 ILE 53 HD11 ILE 53 -0.340 0.926 3.463 418 HD12 ILE 53 HD12 ILE 53 1.263 0.795 4.178 419 HD13 ILE 53 HD13 ILE 53 -0.169 0.539 5.170 420 H SER 54 H SER 54 4.506 -2.304 4.857 421 HA SER 54 HA SER 54 4.202 -4.908 6.152 422 HB2 SER 54 HB3 SER 54 5.483 -4.854 4.127 423 HB3 SER 54 HB2 SER 54 6.502 -3.549 4.729 424 HG SER 54 HG SER 54 6.646 -6.251 5.154 425 H GLN 55 H GLN 55 5.914 -1.889 6.906 426 HA GLN 55 HA GLN 55 7.442 -3.000 9.089 427 HB2 GLN 55 HB3 GLN 55 6.639 -0.198 8.295 428 HB3 GLN 55 HB2 GLN 55 7.479 -0.488 9.817 429 HG2 GLN 55 HG3 GLN 55 9.377 -1.439 8.690 430 HG3 GLN 55 HG2 GLN 55 8.521 -1.485 7.150 431 HE21 GLN 55 HE22 GLN 55 7.606 1.375 8.635 432 HE22 GLN 55 HE21 GLN 55 8.753 2.418 7.943 433 H LEU 56 H LEU 56 4.221 -1.572 8.836 434 HA LEU 56 HA LEU 56 3.805 -1.796 11.764 435 HB2 LEU 56 HB3 LEU 56 2.231 -0.653 9.455 436 HB3 LEU 56 HB2 LEU 56 1.441 -0.954 11.002 437 HG LEU 56 HG LEU 56 3.000 0.510 12.152 438 HD11 LEU 56 HD11 LEU 56 4.385 0.650 9.460 439 HD12 LEU 56 HD12 LEU 56 5.066 0.114 10.995 440 HD13 LEU 56 HD13 LEU 56 4.685 1.816 10.748 441 HD21 LEU 56 HD21 LEU 56 1.082 1.600 11.110 442 HD22 LEU 56 HD22 LEU 56 1.949 1.729 9.580 443 HD23 LEU 56 HD23 LEU 56 2.487 2.657 10.980 444 H PHE 57 H PHE 57 3.027 -3.485 8.791 445 HA PHE 57 HA PHE 57 1.494 -5.524 10.387 446 HB2 PHE 57 HB3 PHE 57 1.041 -5.171 7.426 447 HB3 PHE 57 HB2 PHE 57 -0.054 -5.801 8.653 448 HD1 PHE 57 HD1 PHE 57 -0.070 -3.789 10.734 449 HD2 PHE 57 HD2 PHE 57 0.046 -3.245 6.475 450 HE1 PHE 57 HE1 PHE 57 -1.101 -1.554 10.991 451 HE2 PHE 57 HE2 PHE 57 -0.989 -1.015 6.738 452 HZ PHE 57 HZ PHE 57 -1.560 -0.168 8.989 453 HA PRO 58 HA PRO 58 5.291 -7.291 8.124 454 HB2 PRO 58 HB2 PRO 58 6.653 -8.167 10.349 455 HB3 PRO 58 HB3 PRO 58 6.859 -6.540 9.667 456 HG2 PRO 58 HG3 PRO 58 5.141 -7.412 11.964 457 HG3 PRO 58 HG2 PRO 58 6.237 -6.020 11.851 458 HD2 PRO 58 HD3 PRO 58 3.572 -5.717 11.508 459 HD3 PRO 58 HD2 PRO 58 4.736 -4.773 10.548 460 H GLY 59 H GLY 59 2.562 -8.323 9.062 461 HA2 GLY 59 HA3 GLY 59 3.089 -11.126 8.632 462 HA3 GLY 59 HA2 GLY 59 2.702 -10.818 10.326 463 H MET 60 H MET 60 1.218 -8.549 8.318 464 HA MET 60 HA MET 60 -1.046 -8.180 7.823 465 HB2 MET 60 HB3 MET 60 -1.057 -11.158 7.250 466 HB3 MET 60 HB2 MET 60 -2.137 -9.938 6.573 467 HG2 MET 60 HG3 MET 60 -0.154 -8.821 5.538 468 HG3 MET 60 HG2 MET 60 0.853 -10.146 6.122 469 HE1 MET 60 HE1 MET 60 0.914 -9.362 3.246 470 HE2 MET 60 HE2 MET 60 0.711 -10.870 2.344 471 HE3 MET 60 HE3 MET 60 1.730 -10.829 3.781 472 H THR 61 H THR 61 -1.932 -7.692 9.845 473 HA THR 61 HA THR 61 -2.447 -9.584 11.917 474 HB THR 61 HB THR 61 -3.914 -7.873 12.866 475 HG1 THR 61 HG1 THR 61 -5.004 -6.690 11.546 476 HG21 THR 61 HG21 THR 61 -1.514 -6.678 11.452 477 HG22 THR 61 HG22 THR 61 -1.495 -7.488 13.019 478 HG23 THR 61 HG23 THR 61 -2.347 -5.956 12.828 479 H GLY 62 H GLY 62 -4.820 -8.094 9.674 480 HA2 GLY 62 HA3 GLY 62 -6.931 -9.902 10.333 481 HA3 GLY 62 HA2 GLY 62 -6.851 -8.940 8.856
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