NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585538 | 2mhj | 19635 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -23.139 -11.671 -0.874 2 H2 MET 1 HT2 MET 1 -22.855 -10.311 -1.842 3 H3 MET 1 HT3 MET 1 -23.406 -10.120 -0.256 4 HA MET 1 HA MET 1 -21.371 -11.014 0.620 5 HB2 MET 1 HB2 MET 1 -20.896 -12.502 -1.307 6 HB3 MET 1 HB1 MET 1 -20.509 -11.092 -2.282 7 HG2 MET 1 HG2 MET 1 -18.653 -10.565 -0.777 8 HG3 MET 1 HG1 MET 1 -19.034 -11.994 0.182 9 HE1 MET 1 HE1 MET 1 -15.702 -13.019 -1.598 10 HE2 MET 1 HE2 MET 1 -16.538 -12.849 -0.054 11 HE3 MET 1 HE3 MET 1 -16.138 -11.418 -1.002 12 H ALA 2 HN ALA 2 -20.140 -9.424 1.436 13 HA ALA 2 HA ALA 2 -20.700 -6.761 0.779 14 HB1 ALA 2 HB1 ALA 2 -19.984 -7.477 3.006 15 HB2 ALA 2 HB2 ALA 2 -18.969 -6.175 2.389 16 HB3 ALA 2 HB3 ALA 2 -18.380 -7.836 2.375 17 H HIS 3 HN HIS 3 -20.133 -5.776 -1.019 18 HA HIS 3 HA HIS 3 -17.342 -6.025 -1.925 19 HB2 HIS 3 HB2 HIS 3 -19.881 -5.732 -3.515 20 HB3 HIS 3 HB1 HIS 3 -18.338 -5.213 -4.178 21 HD1 HIS 3 HD1 HIS 3 -20.251 -8.296 -3.207 22 HD2 HIS 3 HD2 HIS 3 -16.638 -7.259 -4.993 23 HE1 HIS 3 HE1 HIS 3 -19.361 -10.419 -4.228 24 HE2 HIS 3 HE2 HIS 3 -17.160 -9.776 -5.272 25 H HIS 4 HN HIS 4 -19.887 -3.761 -2.864 26 HA HIS 4 HA HIS 4 -18.098 -1.553 -2.326 27 HB2 HIS 4 HB2 HIS 4 -19.829 -0.143 -3.354 28 HB3 HIS 4 HB1 HIS 4 -19.425 -1.501 -4.388 29 HD1 HIS 4 HD1 HIS 4 -21.282 -3.227 -4.859 30 HD2 HIS 4 HD2 HIS 4 -22.450 -0.152 -2.315 31 HE1 HIS 4 HE1 HIS 4 -23.781 -3.412 -4.679 32 HE2 HIS 4 HE2 HIS 4 -24.473 -1.503 -3.194 33 H HIS 5 HN HIS 5 -18.107 -0.354 -0.551 34 HA HIS 5 HA HIS 5 -20.143 -0.888 1.456 35 HB2 HIS 5 HB2 HIS 5 -17.594 0.733 1.600 36 HB3 HIS 5 HB1 HIS 5 -18.672 0.429 2.960 37 HD1 HIS 5 HD1 HIS 5 -16.116 -1.239 0.772 38 HD2 HIS 5 HD2 HIS 5 -18.528 -2.159 4.045 39 HE1 HIS 5 HE1 HIS 5 -15.268 -3.437 1.653 40 HE2 HIS 5 HE2 HIS 5 -16.675 -3.924 3.682 41 H HIS 6 HN HIS 6 -18.746 1.888 -0.249 42 HA HIS 6 HA HIS 6 -19.633 3.877 -0.901 43 HB2 HIS 6 HB2 HIS 6 -20.928 2.172 -2.232 44 HB3 HIS 6 HB1 HIS 6 -22.225 2.332 -1.054 45 HD1 HIS 6 HD1 HIS 6 -23.850 4.212 -1.404 46 HD2 HIS 6 HD2 HIS 6 -20.437 4.604 -3.742 47 HE1 HIS 6 HE1 HIS 6 -24.311 6.137 -2.955 48 HE2 HIS 6 HE2 HIS 6 -22.180 6.446 -4.259 49 H HIS 7 HN HIS 7 -19.308 4.250 1.607 50 HA HIS 7 HA HIS 7 -21.801 5.537 2.502 51 HB2 HIS 7 HB2 HIS 7 -19.607 4.294 4.165 52 HB3 HIS 7 HB1 HIS 7 -20.824 5.374 4.836 53 HD1 HIS 7 HD1 HIS 7 -20.231 2.022 4.977 54 HD2 HIS 7 HD2 HIS 7 -23.520 4.163 3.599 55 HE1 HIS 7 HE1 HIS 7 -22.175 0.430 5.088 56 HE2 HIS 7 HE2 HIS 7 -24.168 1.774 4.349 57 H HIS 8 HN HIS 8 -18.863 5.970 1.217 58 HA HIS 8 HA HIS 8 -18.890 8.753 1.273 59 HB2 HIS 8 HB2 HIS 8 -18.153 8.460 3.648 60 HB3 HIS 8 HB1 HIS 8 -16.746 7.574 3.067 61 HD1 HIS 8 HD1 HIS 8 -14.734 8.939 2.437 62 HD2 HIS 8 HD2 HIS 8 -18.164 11.249 2.838 63 HE1 HIS 8 HE1 HIS 8 -13.975 11.320 2.205 64 HE2 HIS 8 HE2 HIS 8 -16.080 12.692 2.333 65 H VAL 9 HN VAL 9 -16.945 5.856 1.201 66 HA VAL 9 HA VAL 9 -15.897 6.654 -1.425 67 HB VAL 9 HB VAL 9 -13.840 5.304 -0.878 68 HG11 VAL 9 HG11 VAL 9 -12.784 7.081 0.472 69 HG12 VAL 9 HG12 VAL 9 -14.382 7.748 0.807 70 HG13 VAL 9 HG13 VAL 9 -13.765 7.725 -0.844 71 HG21 VAL 9 HG21 VAL 9 -13.317 4.945 1.499 72 HG22 VAL 9 HG22 VAL 9 -14.720 4.012 0.980 73 HG23 VAL 9 HG23 VAL 9 -14.940 5.483 1.925 74 H ASP 10 HN ASP 10 -15.188 4.645 -2.679 75 HA ASP 10 HA ASP 10 -16.243 2.128 -1.869 76 HB2 ASP 10 HB2 ASP 10 -17.896 1.883 -3.722 77 HB3 ASP 10 HB1 ASP 10 -18.376 3.055 -2.504 78 H ASP 11 HN ASP 11 -16.495 0.885 -4.331 79 HA ASP 11 HA ASP 11 -13.800 0.322 -4.789 80 HB2 ASP 11 HB2 ASP 11 -14.693 -1.002 -6.778 81 HB3 ASP 11 HB1 ASP 11 -15.325 -1.429 -5.193 82 H ASP 12 HN ASP 12 -12.327 0.944 -6.196 83 HA ASP 12 HA ASP 12 -13.088 2.779 -8.355 84 HB2 ASP 12 HB2 ASP 12 -12.279 4.060 -6.348 85 HB3 ASP 12 HB1 ASP 12 -10.735 3.230 -6.501 86 H ASP 13 HN ASP 13 -11.200 3.067 -9.902 87 HA ASP 13 HA ASP 13 -9.797 2.185 -11.441 88 HB2 ASP 13 HB2 ASP 13 -8.225 1.797 -9.597 89 HB3 ASP 13 HB1 ASP 13 -8.997 0.254 -9.254 90 H LYS 14 HN LYS 14 -10.545 -0.829 -9.719 91 HA LYS 14 HA LYS 14 -12.010 -1.707 -12.116 92 HB2 LYS 14 HB2 LYS 14 -10.000 -3.069 -11.290 93 HB3 LYS 14 HB1 LYS 14 -10.991 -3.498 -9.906 94 HG2 LYS 14 HG2 LYS 14 -11.961 -3.988 -12.695 95 HG3 LYS 14 HG1 LYS 14 -10.868 -5.116 -11.900 96 HD2 LYS 14 HD2 LYS 14 -12.451 -5.510 -10.139 97 HD3 LYS 14 HD1 LYS 14 -13.502 -4.220 -10.736 98 HE2 LYS 14 HE2 LYS 14 -14.349 -6.429 -11.361 99 HE3 LYS 14 HE1 LYS 14 -13.913 -5.480 -12.779 100 HZ1 LYS 14 HZ1 LYS 14 -11.782 -6.702 -12.826 101 HZ2 LYS 14 HZ2 LYS 14 -13.124 -7.701 -13.055 102 HZ3 LYS 14 HZ3 LYS 14 -12.337 -7.680 -11.563 103 H MET 15 HN MET 15 -13.985 -0.880 -11.708 104 HA MET 15 HA MET 15 -15.157 -1.012 -9.089 105 HB2 MET 15 HB2 MET 15 -16.252 -0.106 -11.753 106 HB3 MET 15 HB1 MET 15 -17.162 -0.038 -10.250 107 HG2 MET 15 HG2 MET 15 -15.453 1.441 -9.297 108 HG3 MET 15 HG1 MET 15 -14.579 1.396 -10.827 109 HE1 MET 15 HE1 MET 15 -16.097 5.035 -10.622 110 HE2 MET 15 HE2 MET 15 -14.612 4.088 -10.736 111 HE3 MET 15 HE3 MET 15 -15.571 4.051 -9.256 112 H GLY 16 HN GLY 16 -16.868 -2.260 -8.421 113 HA2 GLY 16 HA2 GLY 16 -18.383 -4.025 -8.476 114 HA3 GLY 16 HA1 GLY 16 -18.022 -4.246 -10.181 115 H GLY 17 HN GLY 17 -15.241 -4.076 -8.268 116 HA2 GLY 17 HA2 GLY 17 -15.068 -7.023 -8.217 117 HA3 GLY 17 HA1 GLY 17 -13.695 -5.985 -8.568 118 HA PRO 18 HA PRO 18 -13.769 -6.960 -4.008 119 HB2 PRO 18 HB2 PRO 18 -11.029 -7.870 -4.388 120 HB3 PRO 18 HB1 PRO 18 -12.410 -8.753 -3.735 121 HG2 PRO 18 HG2 PRO 18 -11.276 -9.329 -6.142 122 HG3 PRO 18 HG1 PRO 18 -12.984 -9.619 -5.773 123 HD2 PRO 18 HD2 PRO 18 -11.735 -7.396 -7.331 124 HD3 PRO 18 HD1 PRO 18 -13.250 -8.274 -7.626 125 H THR 19 HN THR 19 -13.206 -5.355 -2.679 126 HA THR 19 HA THR 19 -10.817 -3.770 -3.283 127 HB THR 19 HB THR 19 -12.154 -1.726 -2.535 128 HG1 THR 19 HG1 THR 19 -14.192 -2.048 -2.066 129 HG21 THR 19 HG21 THR 19 -11.482 -1.916 -4.814 130 HG22 THR 19 HG22 THR 19 -13.187 -1.470 -4.821 131 HG23 THR 19 HG23 THR 19 -12.714 -3.134 -5.141 132 H VAL 20 HN VAL 20 -9.913 -2.677 -1.484 133 HA VAL 20 HA VAL 20 -10.851 -3.658 1.124 134 HB VAL 20 HB VAL 20 -8.003 -3.144 0.388 135 HG11 VAL 20 HG11 VAL 20 -8.477 -2.792 2.742 136 HG12 VAL 20 HG12 VAL 20 -7.490 -4.235 2.520 137 HG13 VAL 20 HG13 VAL 20 -9.218 -4.389 2.842 138 HG21 VAL 20 HG21 VAL 20 -8.784 -5.095 -0.822 139 HG22 VAL 20 HG22 VAL 20 -9.424 -5.780 0.671 140 HG23 VAL 20 HG23 VAL 20 -7.684 -5.580 0.469 141 H LEU 21 HN LEU 21 -11.479 -2.043 2.423 142 HA LEU 21 HA LEU 21 -10.840 0.679 1.863 143 HB2 LEU 21 HB2 LEU 21 -12.912 0.140 3.024 144 HB3 LEU 21 HB1 LEU 21 -12.016 -0.607 4.336 145 HG LEU 21 HG LEU 21 -10.975 1.668 4.758 146 HD11 LEU 21 HD11 LEU 21 -12.232 3.610 3.947 147 HD12 LEU 21 HD12 LEU 21 -13.208 2.545 2.936 148 HD13 LEU 21 HD13 LEU 21 -11.479 2.708 2.630 149 HD21 LEU 21 HD21 LEU 21 -12.691 0.737 6.193 150 HD22 LEU 21 HD22 LEU 21 -13.946 1.353 5.118 151 HD23 LEU 21 HD23 LEU 21 -12.916 2.476 6.004 152 H VAL 22 HN VAL 22 -8.788 1.231 1.962 153 HA VAL 22 HA VAL 22 -6.958 0.012 3.792 154 HB VAL 22 HB VAL 22 -6.591 2.377 1.953 155 HG11 VAL 22 HG11 VAL 22 -4.973 2.236 3.863 156 HG12 VAL 22 HG12 VAL 22 -4.227 2.098 2.273 157 HG13 VAL 22 HG13 VAL 22 -4.480 0.655 3.257 158 HG21 VAL 22 HG21 VAL 22 -5.878 -0.525 1.598 159 HG22 VAL 22 HG22 VAL 22 -5.462 0.780 0.489 160 HG23 VAL 22 HG23 VAL 22 -7.152 0.350 0.751 161 H LYS 23 HN LYS 23 -6.867 0.536 5.845 162 HA LYS 23 HA LYS 23 -7.497 3.270 6.680 163 HB2 LYS 23 HB2 LYS 23 -7.103 0.747 8.302 164 HB3 LYS 23 HB1 LYS 23 -7.515 2.320 8.971 165 HG2 LYS 23 HG2 LYS 23 -9.618 2.304 7.726 166 HG3 LYS 23 HG1 LYS 23 -9.204 0.725 7.054 167 HD2 LYS 23 HD2 LYS 23 -9.168 -0.222 9.313 168 HD3 LYS 23 HD1 LYS 23 -9.594 1.356 9.980 169 HE2 LYS 23 HE2 LYS 23 -11.689 1.311 8.694 170 HE3 LYS 23 HE1 LYS 23 -11.264 -0.285 8.076 171 HZ1 LYS 23 HZ1 LYS 23 -11.310 -1.135 10.333 172 HZ2 LYS 23 HZ2 LYS 23 -12.791 -0.421 9.943 173 HZ3 LYS 23 HZ3 LYS 23 -11.695 0.399 10.934 174 H ARG 24 HN ARG 24 -4.923 0.901 6.549 175 HA ARG 24 HA ARG 24 -2.964 2.989 6.837 176 HB2 ARG 24 HB2 ARG 24 -1.789 2.072 8.737 177 HB3 ARG 24 HB1 ARG 24 -3.455 2.381 9.208 178 HG2 ARG 24 HG2 ARG 24 -3.948 0.169 9.440 179 HG3 ARG 24 HG1 ARG 24 -2.776 -0.333 8.220 180 HD2 ARG 24 HD2 ARG 24 -2.148 0.632 11.005 181 HD3 ARG 24 HD1 ARG 24 -2.069 -1.035 10.444 182 HE ARG 24 HE ARG 24 -0.421 0.314 8.744 183 HH11 ARG 24 HH11 ARG 24 -0.587 -0.028 12.223 184 HH12 ARG 24 HH12 ARG 24 1.115 0.198 12.452 185 HH21 ARG 24 HH21 ARG 24 1.820 0.598 9.028 186 HH22 ARG 24 HH22 ARG 24 2.493 0.548 10.630 187 H PHE 25 HN PHE 25 -0.772 2.200 6.491 188 HA PHE 25 HA PHE 25 -0.708 -0.296 4.928 189 HB2 PHE 25 HB2 PHE 25 1.021 2.182 4.739 190 HB3 PHE 25 HB1 PHE 25 1.350 0.689 3.868 191 HD1 PHE 25 HD1 PHE 25 -1.253 3.297 4.330 192 HD2 PHE 25 HD2 PHE 25 0.409 0.330 1.776 193 HE1 PHE 25 HE1 PHE 25 -2.728 4.035 2.518 194 HE2 PHE 25 HE2 PHE 25 -1.068 1.064 -0.045 195 HZ PHE 25 HZ PHE 25 -2.641 2.923 0.322 196 H GLN 26 HN GLN 26 0.730 -1.854 5.458 197 HA GLN 26 HA GLN 26 2.605 -1.279 7.652 198 HB2 GLN 26 HB2 GLN 26 0.961 -2.757 8.546 199 HB3 GLN 26 HB1 GLN 26 0.964 -3.751 7.099 200 HG2 GLN 26 HG2 GLN 26 2.103 -5.042 8.637 201 HG3 GLN 26 HG1 GLN 26 3.393 -4.293 7.707 202 HE21 GLN 26 HE21 GLN 26 3.119 -1.704 9.082 203 HE22 GLN 26 HE22 GLN 26 3.794 -1.938 10.648 204 H LEU 27 HN LEU 27 4.682 -1.630 7.230 205 HA LEU 27 HA LEU 27 5.325 -2.892 4.659 206 HB2 LEU 27 HB2 LEU 27 6.807 -0.934 6.405 207 HB3 LEU 27 HB1 LEU 27 7.600 -1.793 5.103 208 HG LEU 27 HG LEU 27 6.998 0.451 4.407 209 HD11 LEU 27 HD11 LEU 27 5.333 -1.668 3.077 210 HD12 LEU 27 HD12 LEU 27 6.999 -1.232 2.694 211 HD13 LEU 27 HD13 LEU 27 5.695 -0.085 2.393 212 HD21 LEU 27 HD21 LEU 27 4.670 1.153 4.188 213 HD22 LEU 27 HD22 LEU 27 5.104 0.852 5.870 214 HD23 LEU 27 HD23 LEU 27 4.149 -0.333 4.981 215 H SER 28 HN SER 28 6.391 -4.727 4.555 216 HA SER 28 HA SER 28 7.476 -5.843 7.053 217 HB2 SER 28 HB2 SER 28 5.395 -6.953 6.466 218 HB3 SER 28 HB1 SER 28 5.965 -7.231 4.824 219 HG SER 28 HG SER 28 6.882 -8.972 5.496 220 H GLY 29 HN GLY 29 9.584 -6.245 6.969 221 HA2 GLY 29 HA2 GLY 29 11.485 -7.307 5.986 222 HA3 GLY 29 HA1 GLY 29 10.789 -7.011 4.401 223 H ASN 30 HN ASN 30 10.215 -4.228 5.856 224 HA ASN 30 HA ASN 30 12.422 -2.900 4.596 225 HB2 ASN 30 HB2 ASN 30 11.321 -0.825 5.383 226 HB3 ASN 30 HB1 ASN 30 10.221 -1.878 4.504 227 HD21 ASN 30 HD21 ASN 30 9.801 0.249 6.534 228 HD22 ASN 30 HD22 ASN 30 8.814 -0.488 7.751 229 H ARG 31 HN ARG 31 14.291 -2.417 5.478 230 HA ARG 31 HA ARG 31 14.474 -2.216 8.419 231 HB2 ARG 31 HB2 ARG 31 16.573 -3.324 6.544 232 HB3 ARG 31 HB1 ARG 31 16.722 -3.178 8.287 233 HG2 ARG 31 HG2 ARG 31 14.766 -4.941 6.828 234 HG3 ARG 31 HG1 ARG 31 16.253 -5.468 7.617 235 HD2 ARG 31 HD2 ARG 31 13.850 -4.226 8.946 236 HD3 ARG 31 HD1 ARG 31 14.344 -5.914 9.038 237 HE ARG 31 HE ARG 31 16.509 -4.661 9.994 238 HH11 ARG 31 HH11 ARG 31 13.104 -4.342 10.746 239 HH12 ARG 31 HH12 ARG 31 13.380 -3.830 12.378 240 HH21 ARG 31 HH21 ARG 31 16.878 -3.983 12.147 241 HH22 ARG 31 HH22 ARG 31 15.528 -3.622 13.176 242 H GLN 32 HN GLN 32 15.329 -0.998 5.294 243 HA GLN 32 HA GLN 32 17.257 0.912 6.271 244 HB2 GLN 32 HB2 GLN 32 15.936 0.547 3.579 245 HB3 GLN 32 HB1 GLN 32 17.160 1.761 3.903 246 HG2 GLN 32 HG2 GLN 32 17.485 -1.225 4.023 247 HG3 GLN 32 HG1 GLN 32 18.195 -0.118 2.850 248 HE21 GLN 32 HE21 GLN 32 19.906 1.217 3.490 249 HE22 GLN 32 HE22 GLN 32 20.841 0.876 4.903 250 H PHE 33 HN PHE 33 13.869 0.898 5.363 251 HA PHE 33 HA PHE 33 13.638 3.613 6.459 252 HB2 PHE 33 HB2 PHE 33 12.265 2.557 3.981 253 HB3 PHE 33 HB1 PHE 33 11.890 4.092 4.756 254 HD1 PHE 33 HD2 PHE 33 13.901 5.720 5.059 255 HD2 PHE 33 HD1 PHE 33 13.819 2.494 2.289 256 HE1 PHE 33 HE2 PHE 33 15.666 6.811 3.743 257 HE2 PHE 33 HE1 PHE 33 15.588 3.576 0.970 258 HZ PHE 33 HZ PHE 33 16.514 5.738 1.695 259 H ASP 34 HN ASP 34 12.008 3.914 7.848 260 HA ASP 34 HA ASP 34 10.592 1.615 8.815 261 HB2 ASP 34 HB2 ASP 34 9.591 3.287 10.428 262 HB3 ASP 34 HB1 ASP 34 11.346 3.160 10.467 263 H ASP 35 HN ASP 35 8.180 1.859 9.344 264 HA ASP 35 HA ASP 35 6.703 1.835 6.998 265 HB2 ASP 35 HB2 ASP 35 5.786 2.305 9.835 266 HB3 ASP 35 HB1 ASP 35 4.671 2.132 8.490 267 H ARG 36 HN ARG 36 6.866 4.386 9.433 268 HA ARG 36 HA ARG 36 5.221 6.307 8.429 269 HB2 ARG 36 HB2 ARG 36 6.270 6.662 10.496 270 HB3 ARG 36 HB1 ARG 36 7.874 6.505 9.798 271 HG2 ARG 36 HG2 ARG 36 7.253 8.607 8.451 272 HG3 ARG 36 HG1 ARG 36 5.974 8.805 9.657 273 HD2 ARG 36 HD2 ARG 36 8.034 10.015 10.246 274 HD3 ARG 36 HD1 ARG 36 7.589 8.787 11.430 275 HE ARG 36 HE ARG 36 9.279 7.366 10.047 276 HH11 ARG 36 HH11 ARG 36 9.599 10.768 10.842 277 HH12 ARG 36 HH12 ARG 36 11.334 10.730 10.844 278 HH21 ARG 36 HH21 ARG 36 11.539 7.303 10.066 279 HH22 ARG 36 HH22 ARG 36 12.441 8.750 10.411 280 H ARG 37 HN ARG 37 8.636 5.851 7.540 281 HA ARG 37 HA ARG 37 8.833 7.983 5.734 282 HB2 ARG 37 HB2 ARG 37 10.771 6.752 6.632 283 HB3 ARG 37 HB1 ARG 37 10.318 5.359 5.678 284 HG2 ARG 37 HG2 ARG 37 11.985 6.304 4.430 285 HG3 ARG 37 HG1 ARG 37 10.516 6.911 3.662 286 HD2 ARG 37 HD2 ARG 37 12.111 8.675 3.918 287 HD3 ARG 37 HD1 ARG 37 10.726 8.989 4.951 288 HE ARG 37 HE ARG 37 12.512 7.676 6.552 289 HH11 ARG 37 HH11 ARG 37 12.656 10.583 4.604 290 HH12 ARG 37 HH12 ARG 37 13.805 11.367 5.639 291 HH21 ARG 37 HH21 ARG 37 14.025 8.698 7.904 292 HH22 ARG 37 HH22 ARG 37 14.588 10.293 7.515 293 H LEU 38 HN LEU 38 7.828 4.630 5.228 294 HA LEU 38 HA LEU 38 7.682 4.982 2.368 295 HB2 LEU 38 HB2 LEU 38 7.168 2.694 4.229 296 HB3 LEU 38 HB1 LEU 38 6.614 2.614 2.571 297 HG LEU 38 HG LEU 38 8.638 2.031 1.835 298 HD11 LEU 38 HD11 LEU 38 9.443 4.280 1.784 299 HD12 LEU 38 HD12 LEU 38 10.723 3.236 2.401 300 HD13 LEU 38 HD13 LEU 38 9.794 4.244 3.512 301 HD21 LEU 38 HD21 LEU 38 8.712 0.589 3.697 302 HD22 LEU 38 HD22 LEU 38 9.184 1.893 4.783 303 HD23 LEU 38 HD23 LEU 38 10.317 1.305 3.568 304 H LEU 39 HN LEU 39 5.534 5.184 5.057 305 HA LEU 39 HA LEU 39 3.063 4.765 3.782 306 HB2 LEU 39 HB2 LEU 39 4.013 5.971 6.291 307 HB3 LEU 39 HB1 LEU 39 2.462 6.558 5.731 308 HG LEU 39 HG LEU 39 1.442 4.461 5.970 309 HD11 LEU 39 HD11 LEU 39 3.102 3.080 4.855 310 HD12 LEU 39 HD12 LEU 39 2.669 2.384 6.416 311 HD13 LEU 39 HD13 LEU 39 4.192 3.253 6.231 312 HD21 LEU 39 HD21 LEU 39 1.936 3.811 8.261 313 HD22 LEU 39 HD22 LEU 39 1.937 5.568 8.088 314 HD23 LEU 39 HD23 LEU 39 3.463 4.692 8.188 315 H ALA 40 HN ALA 40 5.073 7.624 4.055 316 HA ALA 40 HA ALA 40 3.202 9.505 3.095 317 HB1 ALA 40 HB1 ALA 40 5.126 10.918 2.596 318 HB2 ALA 40 HB2 ALA 40 6.206 9.541 2.810 319 HB3 ALA 40 HB3 ALA 40 5.285 10.162 4.180 320 H LEU 41 HN LEU 41 5.019 7.058 1.463 321 HA LEU 41 HA LEU 41 4.783 8.111 -1.172 322 HB2 LEU 41 HB2 LEU 41 5.224 5.345 -0.075 323 HB3 LEU 41 HB1 LEU 41 5.065 5.639 -1.796 324 HG LEU 41 HG LEU 41 7.077 7.269 -0.343 325 HD11 LEU 41 HD11 LEU 41 7.295 4.920 0.532 326 HD12 LEU 41 HD12 LEU 41 8.711 5.546 -0.310 327 HD13 LEU 41 HD13 LEU 41 7.628 4.419 -1.122 328 HD21 LEU 41 HD21 LEU 41 7.113 5.803 -2.979 329 HD22 LEU 41 HD22 LEU 41 8.266 7.021 -2.426 330 HD23 LEU 41 HD23 LEU 41 6.598 7.478 -2.768 331 H LEU 42 HN LEU 42 2.663 6.485 1.000 332 HA LEU 42 HA LEU 42 0.680 6.080 -1.137 333 HB2 LEU 42 HB2 LEU 42 0.744 4.907 1.645 334 HB3 LEU 42 HB1 LEU 42 -0.469 4.579 0.428 335 HG LEU 42 HG LEU 42 0.763 2.721 0.124 336 HD11 LEU 42 HD11 LEU 42 2.412 2.906 -1.656 337 HD12 LEU 42 HD12 LEU 42 2.475 4.653 -1.416 338 HD13 LEU 42 HD13 LEU 42 0.988 3.894 -1.984 339 HD21 LEU 42 HD21 LEU 42 3.228 4.197 1.014 340 HD22 LEU 42 HD22 LEU 42 3.119 2.474 0.654 341 HD23 LEU 42 HD23 LEU 42 2.219 3.146 2.011 342 H HIS 43 HN HIS 43 1.494 8.487 0.568 343 HA HIS 43 HA HIS 43 -0.267 9.192 2.522 344 HB2 HIS 43 HB2 HIS 43 0.397 11.445 2.189 345 HB3 HIS 43 HB1 HIS 43 1.760 10.462 1.688 346 HD1 HIS 43 HD1 HIS 43 -0.689 12.946 0.419 347 HD2 HIS 43 HD2 HIS 43 2.248 10.439 -1.129 348 HE1 HIS 43 HE1 HIS 43 -0.257 13.769 -1.915 349 HE2 HIS 43 HE2 HIS 43 1.475 12.203 -2.856 350 H ASP 44 HN ASP 44 -1.021 9.020 -0.867 351 HA ASP 44 HA ASP 44 -3.451 10.632 -0.501 352 HB2 ASP 44 HB2 ASP 44 -3.489 10.705 -2.988 353 HB3 ASP 44 HB1 ASP 44 -2.024 11.393 -2.294 354 H LEU 45 HN LEU 45 -2.890 7.568 0.020 355 HA LEU 45 HA LEU 45 -4.895 6.514 -1.837 356 HB2 LEU 45 HB2 LEU 45 -2.860 5.061 -0.170 357 HB3 LEU 45 HB1 LEU 45 -4.051 4.278 -1.188 358 HG LEU 45 HG LEU 45 -1.810 6.076 -2.112 359 HD11 LEU 45 HD11 LEU 45 -1.122 3.824 -1.425 360 HD12 LEU 45 HD12 LEU 45 -0.946 4.070 -3.162 361 HD13 LEU 45 HD13 LEU 45 -2.304 3.135 -2.537 362 HD21 LEU 45 HD21 LEU 45 -3.976 4.689 -3.686 363 HD22 LEU 45 HD22 LEU 45 -2.556 5.467 -4.384 364 HD23 LEU 45 HD23 LEU 45 -3.750 6.429 -3.512 365 HA PRO 46 HA PRO 46 -6.370 4.399 2.103 366 HB2 PRO 46 HB2 PRO 46 -5.612 5.156 4.561 367 HB3 PRO 46 HB1 PRO 46 -4.647 4.070 3.569 368 HG2 PRO 46 HG2 PRO 46 -4.278 6.988 4.062 369 HG3 PRO 46 HG1 PRO 46 -3.066 5.696 3.967 370 HD2 PRO 46 HD2 PRO 46 -3.643 7.420 1.906 371 HD3 PRO 46 HD1 PRO 46 -2.963 5.799 1.686 372 H GLY 47 HN GLY 47 -8.029 4.754 3.780 373 HA2 GLY 47 HA2 GLY 47 -9.812 6.035 4.613 374 HA3 GLY 47 HA1 GLY 47 -9.186 7.436 3.748 375 H GLN 48 HN GLN 48 -8.977 4.953 1.680 376 HA GLN 48 HA GLN 48 -11.674 5.303 0.572 377 HB2 GLN 48 HB2 GLN 48 -9.089 5.283 -0.997 378 HB3 GLN 48 HB1 GLN 48 -10.707 5.405 -1.673 379 HG2 GLN 48 HG2 GLN 48 -11.023 7.550 -0.597 380 HG3 GLN 48 HG1 GLN 48 -9.430 7.428 0.151 381 HE21 GLN 48 HE21 GLN 48 -7.586 7.582 -1.159 382 HE22 GLN 48 HE22 GLN 48 -7.650 8.322 -2.722 383 H GLU 49 HN GLU 49 -12.036 3.600 -1.211 384 HA GLU 49 HA GLU 49 -11.068 1.047 -0.159 385 HB2 GLU 49 HB2 GLU 49 -13.415 1.681 -1.962 386 HB3 GLU 49 HB1 GLU 49 -12.935 0.053 -1.503 387 HG2 GLU 49 HG2 GLU 49 -13.284 0.669 0.865 388 HG3 GLU 49 HG1 GLU 49 -13.886 2.237 0.330 389 H LEU 50 HN LEU 50 -9.125 0.887 -1.064 390 HA LEU 50 HA LEU 50 -8.697 1.246 -3.903 391 HB2 LEU 50 HB2 LEU 50 -6.925 0.334 -1.638 392 HB3 LEU 50 HB1 LEU 50 -6.377 0.436 -3.300 393 HG LEU 50 HG LEU 50 -5.575 2.373 -2.202 394 HD11 LEU 50 HD11 LEU 50 -6.646 4.203 -3.377 395 HD12 LEU 50 HD12 LEU 50 -8.047 3.188 -3.713 396 HD13 LEU 50 HD13 LEU 50 -6.483 2.793 -4.425 397 HD21 LEU 50 HD21 LEU 50 -6.999 3.926 -0.959 398 HD22 LEU 50 HD22 LEU 50 -6.990 2.320 -0.230 399 HD23 LEU 50 HD23 LEU 50 -8.375 2.846 -1.189 400 H ASN 51 HN ASN 51 -8.581 -0.364 -5.399 401 HA ASN 51 HA ASN 51 -9.418 -3.012 -4.561 402 HB2 ASN 51 HB2 ASN 51 -9.677 -3.533 -6.880 403 HB3 ASN 51 HB1 ASN 51 -10.303 -1.907 -6.650 404 HD21 ASN 51 HD21 ASN 51 -9.323 -3.231 -9.052 405 HD22 ASN 51 HD22 ASN 51 -8.070 -2.206 -9.671 406 H LEU 52 HN LEU 52 -8.189 -4.912 -5.707 407 HA LEU 52 HA LEU 52 -5.721 -5.098 -4.434 408 HB2 LEU 52 HB2 LEU 52 -6.873 -6.682 -6.726 409 HB3 LEU 52 HB1 LEU 52 -5.323 -7.068 -6.013 410 HG LEU 52 HG LEU 52 -6.915 -8.556 -5.081 411 HD11 LEU 52 HD11 LEU 52 -6.742 -8.126 -2.737 412 HD12 LEU 52 HD12 LEU 52 -6.483 -6.409 -3.023 413 HD13 LEU 52 HD13 LEU 52 -5.261 -7.576 -3.522 414 HD21 LEU 52 HD21 LEU 52 -8.935 -7.819 -3.921 415 HD22 LEU 52 HD22 LEU 52 -8.951 -7.352 -5.621 416 HD23 LEU 52 HD23 LEU 52 -8.591 -6.152 -4.379 417 H SER 53 HN SER 53 -6.453 -4.280 -7.794 418 HA SER 53 HA SER 53 -3.845 -4.289 -8.790 419 HB2 SER 53 HB2 SER 53 -6.093 -2.470 -9.678 420 HB3 SER 53 HB1 SER 53 -4.731 -3.038 -10.645 421 HG SER 53 HG SER 53 -5.679 -5.232 -9.977 422 H GLN 54 HN GLN 54 -5.736 -1.610 -7.377 423 HA GLN 54 HA GLN 54 -3.673 0.322 -7.565 424 HB2 GLN 54 HB2 GLN 54 -6.178 0.105 -5.918 425 HB3 GLN 54 HB1 GLN 54 -5.067 1.448 -5.692 426 HG2 GLN 54 HG2 GLN 54 -5.347 2.121 -7.987 427 HG3 GLN 54 HG1 GLN 54 -6.342 0.705 -8.313 428 HE21 GLN 54 HE21 GLN 54 -6.937 3.539 -8.607 429 HE22 GLN 54 HE22 GLN 54 -8.361 3.829 -7.664 430 H LEU 55 HN LEU 55 -4.520 -2.069 -5.150 431 HA LEU 55 HA LEU 55 -2.808 -1.193 -3.097 432 HB2 LEU 55 HB2 LEU 55 -3.771 -3.975 -3.770 433 HB3 LEU 55 HB1 LEU 55 -2.961 -3.544 -2.279 434 HG LEU 55 HG LEU 55 -5.641 -2.520 -3.207 435 HD11 LEU 55 HD11 LEU 55 -5.629 -4.839 -2.395 436 HD12 LEU 55 HD12 LEU 55 -6.530 -3.757 -1.336 437 HD13 LEU 55 HD13 LEU 55 -4.910 -4.289 -0.884 438 HD21 LEU 55 HD21 LEU 55 -4.046 -1.891 -0.734 439 HD22 LEU 55 HD22 LEU 55 -5.739 -1.466 -0.976 440 HD23 LEU 55 HD23 LEU 55 -4.498 -0.772 -2.019 441 H HIS 56 HN HIS 56 -2.258 -3.424 -5.807 442 HA HIS 56 HA HIS 56 0.443 -4.003 -5.088 443 HB2 HIS 56 HB2 HIS 56 -1.070 -4.292 -7.685 444 HB3 HIS 56 HB1 HIS 56 0.626 -4.728 -7.529 445 HD1 HIS 56 HD1 HIS 56 1.137 -7.010 -6.635 446 HD2 HIS 56 HD2 HIS 56 -2.834 -5.927 -6.061 447 HE1 HIS 56 HE1 HIS 56 -0.018 -9.082 -5.808 448 HE2 HIS 56 HE2 HIS 56 -2.444 -8.443 -5.623 449 H ALA 57 HN ALA 57 -1.101 -1.554 -7.081 450 HA ALA 57 HA ALA 57 1.223 -0.513 -8.297 451 HB1 ALA 57 HB1 ALA 57 -1.352 0.915 -7.640 452 HB2 ALA 57 HB2 ALA 57 -1.046 -0.036 -9.093 453 HB3 ALA 57 HB3 ALA 57 -0.134 1.444 -8.800 454 H ALA 58 HN ALA 58 -0.331 0.103 -5.219 455 HA ALA 58 HA ALA 58 1.044 2.375 -4.375 456 HB1 ALA 58 HB1 ALA 58 0.513 1.644 -2.107 457 HB2 ALA 58 HB2 ALA 58 0.131 0.030 -2.707 458 HB3 ALA 58 HB3 ALA 58 -0.865 1.406 -3.181 459 H ALA 59 HN ALA 59 1.976 -1.014 -4.302 460 HA ALA 59 HA ALA 59 4.291 -0.689 -2.701 461 HB1 ALA 59 HB1 ALA 59 4.846 -2.955 -3.407 462 HB2 ALA 59 HB2 ALA 59 3.612 -2.875 -4.665 463 HB3 ALA 59 HB3 ALA 59 3.143 -2.833 -2.965 464 H ALA 60 HN ALA 60 3.663 -0.385 -6.123 465 HA ALA 60 HA ALA 60 6.326 -0.594 -7.045 466 HB1 ALA 60 HB1 ALA 60 5.512 0.449 -9.099 467 HB2 ALA 60 HB2 ALA 60 4.015 0.904 -8.284 468 HB3 ALA 60 HB3 ALA 60 4.397 -0.798 -8.541 469 H ARG 61 HN ARG 61 4.446 2.047 -5.749 470 HA ARG 61 HA ARG 61 6.096 4.215 -6.388 471 HB2 ARG 61 HB2 ARG 61 4.463 3.739 -3.885 472 HB3 ARG 61 HB1 ARG 61 5.128 5.290 -4.372 473 HG2 ARG 61 HG2 ARG 61 3.701 5.368 -6.293 474 HG3 ARG 61 HG1 ARG 61 3.139 3.722 -5.992 475 HD2 ARG 61 HD2 ARG 61 2.077 4.396 -3.952 476 HD3 ARG 61 HD1 ARG 61 2.775 6.006 -4.066 477 HE ARG 61 HE ARG 61 1.047 5.217 -6.260 478 HH11 ARG 61 HH11 ARG 61 1.355 6.866 -3.197 479 HH12 ARG 61 HH12 ARG 61 -0.080 7.832 -3.424 480 HH21 ARG 61 HH21 ARG 61 -0.846 6.471 -6.559 481 HH22 ARG 61 HH22 ARG 61 -1.339 7.591 -5.321 482 H ILE 62 HN ILE 62 6.222 1.874 -3.776 483 HA ILE 62 HA ILE 62 8.338 3.209 -2.369 484 HB ILE 62 HB ILE 62 7.248 0.415 -2.015 485 HG12 ILE 62 HG12 ILE 62 6.538 2.964 -0.554 486 HG13 ILE 62 HG11 ILE 62 5.530 2.171 -1.760 487 HG21 ILE 62 HG21 ILE 62 8.187 0.582 0.262 488 HG22 ILE 62 HG22 ILE 62 8.929 2.124 -0.185 489 HG23 ILE 62 HG23 ILE 62 9.425 0.636 -0.998 490 HD11 ILE 62 HD11 ILE 62 4.833 1.721 0.548 491 HD12 ILE 62 HD12 ILE 62 6.387 0.943 0.841 492 HD13 ILE 62 HD13 ILE 62 5.265 0.258 -0.336 493 H GLY 63 HN GLY 63 8.041 0.500 -4.587 494 HA2 GLY 63 HA2 GLY 63 10.638 -0.538 -4.350 495 HA3 GLY 63 HA1 GLY 63 9.612 -0.677 -5.769 496 H ASP 64 HN ASP 64 9.383 2.124 -6.288 497 HA ASP 64 HA ASP 64 11.914 2.587 -7.601 498 HB2 ASP 64 HB2 ASP 64 9.829 3.133 -8.752 499 HB3 ASP 64 HB1 ASP 64 9.391 4.259 -7.473 500 H PHE 65 HN PHE 65 10.183 3.799 -4.824 501 HA PHE 65 HA PHE 65 11.591 6.108 -4.215 502 HB2 PHE 65 HB2 PHE 65 9.607 5.413 -2.976 503 HB3 PHE 65 HB1 PHE 65 10.460 4.010 -2.343 504 HD1 PHE 65 HD1 PHE 65 10.296 7.698 -2.250 505 HD2 PHE 65 HD2 PHE 65 11.810 4.167 -0.420 506 HE1 PHE 65 HE1 PHE 65 10.991 9.013 -0.295 507 HE2 PHE 65 HE2 PHE 65 12.511 5.479 1.539 508 HZ PHE 65 HZ PHE 65 12.103 7.906 1.600 509 H TYR 66 HN TYR 66 12.273 2.784 -3.193 510 HA TYR 66 HA TYR 66 14.641 3.285 -1.801 511 HB2 TYR 66 HB2 TYR 66 13.363 0.914 -3.045 512 HB3 TYR 66 HB1 TYR 66 15.073 0.788 -2.668 513 HD1 TYR 66 HD2 TYR 66 11.809 1.705 -1.104 514 HD2 TYR 66 HD1 TYR 66 15.741 0.181 -0.547 515 HE1 TYR 66 HE2 TYR 66 11.262 1.158 1.230 516 HE2 TYR 66 HE1 TYR 66 15.214 -0.366 1.783 517 HH TYR 66 HH TYR 66 13.666 -0.374 3.373 518 H GLN 67 HN GLN 67 14.071 2.664 -5.223 519 HA GLN 67 HA GLN 67 16.723 2.228 -6.007 520 HB2 GLN 67 HB2 GLN 67 14.416 3.383 -7.581 521 HB3 GLN 67 HB1 GLN 67 15.940 2.853 -8.284 522 HG2 GLN 67 HG2 GLN 67 15.499 0.582 -7.436 523 HG3 GLN 67 HG1 GLN 67 13.941 1.135 -6.833 524 HE21 GLN 67 HE21 GLN 67 12.822 -0.295 -8.130 525 HE22 GLN 67 HE22 GLN 67 12.679 -0.080 -9.841 526 H GLU 68 HN GLU 68 14.873 5.203 -5.631 527 HA GLU 68 HA GLU 68 16.868 6.884 -6.800 528 HB2 GLU 68 HB2 GLU 68 14.621 7.639 -4.929 529 HB3 GLU 68 HB1 GLU 68 15.538 8.739 -5.949 530 HG2 GLU 68 HG2 GLU 68 14.699 7.478 -7.926 531 HG3 GLU 68 HG1 GLU 68 13.652 6.576 -6.833 532 H LYS 69 HN LYS 69 16.460 5.451 -3.723 533 HA LYS 69 HA LYS 69 18.230 7.329 -2.388 534 HB2 LYS 69 HB2 LYS 69 17.132 4.711 -1.355 535 HB3 LYS 69 HB1 LYS 69 17.879 5.986 -0.404 536 HG2 LYS 69 HG2 LYS 69 15.258 6.155 -1.876 537 HG3 LYS 69 HG1 LYS 69 15.480 6.024 -0.132 538 HD2 LYS 69 HD2 LYS 69 16.562 8.189 -0.072 539 HD3 LYS 69 HD1 LYS 69 16.475 8.309 -1.831 540 HE2 LYS 69 HE2 LYS 69 14.012 8.216 -1.674 541 HE3 LYS 69 HE1 LYS 69 14.150 8.205 0.081 542 HZ1 LYS 69 HZ1 LYS 69 13.692 10.418 -0.781 543 HZ2 LYS 69 HZ2 LYS 69 15.113 10.376 -1.698 544 HZ3 LYS 69 HZ3 LYS 69 15.196 10.367 -0.009 545 H GLY 70 HN GLY 70 18.584 4.804 -4.474 546 HA2 GLY 70 HA2 GLY 70 20.845 4.287 -5.187 547 HA3 GLY 70 HA1 GLY 70 21.319 4.292 -3.495 548 H TYR 71 HN TYR 71 18.478 2.829 -3.329 549 HA TYR 71 HA TYR 71 19.709 0.190 -3.352 550 HB2 TYR 71 HB2 TYR 71 16.932 0.950 -2.437 551 HB3 TYR 71 HB1 TYR 71 17.793 -0.543 -2.084 552 HD1 TYR 71 HD1 TYR 71 20.020 -0.275 -0.750 553 HD2 TYR 71 HD2 TYR 71 16.978 2.687 -0.938 554 HE1 TYR 71 HE1 TYR 71 20.891 0.745 1.309 555 HE2 TYR 71 HE2 TYR 71 17.840 3.716 1.115 556 HH TYR 71 HH TYR 71 20.852 3.008 2.405 557 H VAL 72 HN VAL 72 19.815 0.266 -5.716 558 HA VAL 72 HA VAL 72 17.439 0.387 -7.290 559 HB VAL 72 HB VAL 72 20.136 -0.687 -8.124 560 HG11 VAL 72 HG11 VAL 72 18.335 -1.153 -9.698 561 HG12 VAL 72 HG12 VAL 72 19.451 0.041 -10.359 562 HG13 VAL 72 HG13 VAL 72 17.893 0.553 -9.714 563 HG21 VAL 72 HG21 VAL 72 20.386 1.522 -7.106 564 HG22 VAL 72 HG22 VAL 72 19.143 2.161 -8.183 565 HG23 VAL 72 HG23 VAL 72 20.670 1.580 -8.844 566 H LEU 73 HN LEU 73 19.187 -2.119 -5.685 567 HA LEU 73 HA LEU 73 17.986 -4.287 -7.147 568 HB2 LEU 73 HB2 LEU 73 19.546 -4.231 -4.577 569 HB3 LEU 73 HB1 LEU 73 19.024 -5.697 -5.380 570 HG LEU 73 HG LEU 73 20.905 -3.656 -6.564 571 HD11 LEU 73 HD11 LEU 73 21.457 -6.366 -5.361 572 HD12 LEU 73 HD12 LEU 73 21.922 -4.809 -4.678 573 HD13 LEU 73 HD13 LEU 73 22.634 -5.353 -6.195 574 HD21 LEU 73 HD21 LEU 73 21.317 -5.397 -8.250 575 HD22 LEU 73 HD22 LEU 73 19.645 -4.837 -8.265 576 HD23 LEU 73 HD23 LEU 73 20.051 -6.385 -7.522 577 H ALA 74 HN ALA 74 16.895 -2.179 -4.820 578 HA ALA 74 HA ALA 74 15.339 -4.088 -3.299 579 HB1 ALA 74 HB1 ALA 74 16.347 -2.213 -2.133 580 HB2 ALA 74 HB2 ALA 74 14.589 -2.129 -2.026 581 HB3 ALA 74 HB3 ALA 74 15.456 -1.083 -3.149 582 H ARG 75 HN ARG 75 13.191 -4.403 -3.409 583 HA ARG 75 HA ARG 75 11.536 -2.686 -5.082 584 HB2 ARG 75 HB2 ARG 75 12.343 -4.437 -6.619 585 HB3 ARG 75 HB1 ARG 75 11.742 -5.674 -5.525 586 HG2 ARG 75 HG2 ARG 75 10.158 -5.476 -7.263 587 HG3 ARG 75 HG1 ARG 75 9.450 -4.694 -5.850 588 HD2 ARG 75 HD2 ARG 75 10.227 -2.509 -6.741 589 HD3 ARG 75 HD1 ARG 75 10.763 -3.342 -8.198 590 HE ARG 75 HE ARG 75 7.976 -3.687 -7.457 591 HH11 ARG 75 HH11 ARG 75 10.321 -2.081 -9.493 592 HH12 ARG 75 HH12 ARG 75 9.139 -1.484 -10.614 593 HH21 ARG 75 HH21 ARG 75 6.409 -2.923 -8.938 594 HH22 ARG 75 HH22 ARG 75 6.908 -1.969 -10.299 595 H ALA 76 HN ALA 76 9.608 -2.387 -4.154 596 HA ALA 76 HA ALA 76 8.815 -4.175 -1.973 597 HB1 ALA 76 HB1 ALA 76 7.309 -2.382 -1.284 598 HB2 ALA 76 HB2 ALA 76 7.787 -1.430 -2.691 599 HB3 ALA 76 HB3 ALA 76 8.965 -1.790 -1.427 600 H PHE 77 HN PHE 77 7.048 -5.439 -2.147 601 HA PHE 77 HA PHE 77 5.146 -4.916 -4.309 602 HB2 PHE 77 HB2 PHE 77 5.157 -7.283 -4.992 603 HB3 PHE 77 HB1 PHE 77 6.720 -6.524 -5.255 604 HD1 PHE 77 HD1 PHE 77 8.627 -7.080 -3.794 605 HD2 PHE 77 HD2 PHE 77 4.892 -9.095 -3.478 606 HE1 PHE 77 HE1 PHE 77 9.714 -8.885 -2.524 607 HE2 PHE 77 HE2 PHE 77 5.969 -10.900 -2.204 608 HZ PHE 77 HZ PHE 77 8.384 -10.798 -1.727 609 H LEU 78 HN LEU 78 3.062 -5.561 -3.877 610 HA LEU 78 HA LEU 78 2.552 -6.250 -1.087 611 HB2 LEU 78 HB2 LEU 78 1.434 -4.304 -2.306 612 HB3 LEU 78 HB1 LEU 78 0.518 -5.515 -3.184 613 HG LEU 78 HG LEU 78 0.467 -5.584 -0.201 614 HD11 LEU 78 HD11 LEU 78 -1.067 -3.657 -1.935 615 HD12 LEU 78 HD12 LEU 78 0.044 -3.260 -0.625 616 HD13 LEU 78 HD13 LEU 78 -1.491 -4.052 -0.270 617 HD21 LEU 78 HD21 LEU 78 -1.607 -6.119 -2.316 618 HD22 LEU 78 HD22 LEU 78 -1.738 -6.468 -0.590 619 HD23 LEU 78 HD23 LEU 78 -0.568 -7.339 -1.581 620 HA PRO 79 HA PRO 79 2.229 -10.401 -2.719 621 HB2 PRO 79 HB2 PRO 79 2.373 -11.696 -0.378 622 HB3 PRO 79 HB1 PRO 79 3.782 -10.884 -1.072 623 HG2 PRO 79 HG2 PRO 79 1.915 -9.932 1.072 624 HG3 PRO 79 HG1 PRO 79 3.686 -9.867 1.026 625 HD2 PRO 79 HD2 PRO 79 2.098 -7.743 0.400 626 HD3 PRO 79 HD1 PRO 79 3.708 -7.995 -0.304 627 H ALA 80 HN ALA 80 -0.002 -8.731 -0.847 628 HA ALA 80 HA ALA 80 -2.199 -8.936 -0.395 629 HB1 ALA 80 HB1 ALA 80 -2.133 -11.247 -2.334 630 HB2 ALA 80 HB2 ALA 80 -2.470 -9.562 -2.731 631 HB3 ALA 80 HB3 ALA 80 -3.585 -10.466 -1.708 632 H GLN 81 HN GLN 81 -1.993 -12.397 -0.896 633 HA GLN 81 HA GLN 81 -2.304 -14.158 0.508 634 HB2 GLN 81 HB2 GLN 81 0.042 -13.483 1.033 635 HB3 GLN 81 HB1 GLN 81 -0.568 -12.516 2.366 636 HG2 GLN 81 HG2 GLN 81 -1.433 -14.537 3.433 637 HG3 GLN 81 HG1 GLN 81 -0.817 -15.504 2.095 638 HE21 GLN 81 HE21 GLN 81 0.031 -13.579 4.872 639 HE22 GLN 81 HE22 GLN 81 1.661 -14.149 5.013 640 H GLU 82 HN GLU 82 -4.516 -12.784 0.514 641 HA GLU 82 HA GLU 82 -6.407 -12.198 1.608 642 HB2 GLU 82 HB2 GLU 82 -5.126 -13.879 3.761 643 HB3 GLU 82 HB1 GLU 82 -6.760 -13.236 3.877 644 HG2 GLU 82 HG2 GLU 82 -7.437 -14.483 1.932 645 HG3 GLU 82 HG1 GLU 82 -5.785 -15.045 1.681 646 H ILE 83 HN ILE 83 -5.853 -10.023 1.544 647 HA ILE 83 HA ILE 83 -4.269 -8.732 3.514 648 HB ILE 83 HB ILE 83 -6.281 -7.533 1.618 649 HG12 ILE 83 HG12 ILE 83 -3.311 -7.992 1.279 650 HG13 ILE 83 HG11 ILE 83 -4.583 -8.892 0.460 651 HG21 ILE 83 HG21 ILE 83 -4.963 -5.486 1.861 652 HG22 ILE 83 HG22 ILE 83 -3.939 -6.292 3.049 653 HG23 ILE 83 HG23 ILE 83 -5.642 -6.007 3.404 654 HD11 ILE 83 HD11 ILE 83 -5.291 -6.844 -0.669 655 HD12 ILE 83 HD12 ILE 83 -3.603 -7.236 -1.008 656 HD13 ILE 83 HD13 ILE 83 -3.999 -5.959 0.142 657 H GLN 84 HN GLN 84 -4.869 -7.467 5.254 658 HA GLN 84 HA GLN 84 -7.205 -8.219 6.673 659 HB2 GLN 84 HB2 GLN 84 -5.390 -5.843 7.159 660 HB3 GLN 84 HB1 GLN 84 -6.542 -6.510 8.302 661 HG2 GLN 84 HG2 GLN 84 -4.570 -7.376 9.072 662 HG3 GLN 84 HG1 GLN 84 -5.141 -8.682 8.040 663 HE21 GLN 84 HE21 GLN 84 -4.029 -9.175 6.179 664 HE22 GLN 84 HE22 GLN 84 -2.485 -8.495 5.792 665 H ASP 85 HN ASP 85 -8.965 -6.847 7.298 666 HA ASP 85 HA ASP 85 -9.932 -5.261 5.095 667 HB2 ASP 85 HB2 ASP 85 -12.006 -5.078 6.471 668 HB3 ASP 85 HB1 ASP 85 -11.501 -6.737 6.178 669 H GLY 86 HN GLY 86 -7.806 -3.955 5.852 670 HA2 GLY 86 HA2 GLY 86 -8.485 -1.360 6.258 671 HA3 GLY 86 HA1 GLY 86 -8.316 -1.984 7.894 672 H THR 87 HN THR 87 -6.212 -3.719 7.627 673 HA THR 87 HA THR 87 -4.013 -1.886 7.059 674 HB THR 87 HB THR 87 -3.846 -4.624 8.331 675 HG1 THR 87 HG1 THR 87 -5.053 -2.531 9.330 676 HG21 THR 87 HG21 THR 87 -1.740 -3.681 7.453 677 HG22 THR 87 HG22 THR 87 -1.730 -3.813 9.211 678 HG23 THR 87 HG23 THR 87 -1.988 -2.245 8.448 679 H VAL 88 HN VAL 88 -3.019 -1.992 5.167 680 HA VAL 88 HA VAL 88 -3.007 -4.541 3.706 681 HB VAL 88 HB VAL 88 -2.316 -3.237 1.734 682 HG11 VAL 88 HG11 VAL 88 -4.771 -2.133 3.094 683 HG12 VAL 88 HG12 VAL 88 -4.693 -3.590 2.104 684 HG13 VAL 88 HG13 VAL 88 -4.410 -2.012 1.372 685 HG21 VAL 88 HG21 VAL 88 -2.642 -0.825 3.509 686 HG22 VAL 88 HG22 VAL 88 -2.298 -0.808 1.779 687 HG23 VAL 88 HG23 VAL 88 -1.110 -1.462 2.910 688 H ARG 89 HN ARG 89 -1.067 -5.561 3.230 689 HA ARG 89 HA ARG 89 1.278 -4.361 4.547 690 HB2 ARG 89 HB2 ARG 89 0.256 -6.511 5.505 691 HB3 ARG 89 HB1 ARG 89 0.959 -7.302 4.097 692 HG2 ARG 89 HG2 ARG 89 3.166 -6.370 4.748 693 HG3 ARG 89 HG1 ARG 89 2.418 -5.773 6.231 694 HD2 ARG 89 HD2 ARG 89 2.631 -8.628 5.335 695 HD3 ARG 89 HD1 ARG 89 3.512 -7.862 6.652 696 HE ARG 89 HE ARG 89 1.054 -7.479 7.497 697 HH11 ARG 89 HH11 ARG 89 2.447 -10.339 6.040 698 HH12 ARG 89 HH12 ARG 89 1.348 -11.427 6.831 699 HH21 ARG 89 HH21 ARG 89 -0.379 -8.908 8.550 700 HH22 ARG 89 HH22 ARG 89 -0.252 -10.616 8.265 701 H ILE 90 HN ILE 90 3.113 -4.147 3.471 702 HA ILE 90 HA ILE 90 3.271 -5.277 0.754 703 HB ILE 90 HB ILE 90 4.390 -2.642 1.723 704 HG12 ILE 90 HG12 ILE 90 2.106 -3.250 -0.163 705 HG13 ILE 90 HG11 ILE 90 1.953 -2.597 1.464 706 HG21 ILE 90 HG21 ILE 90 4.441 -3.888 -1.022 707 HG22 ILE 90 HG22 ILE 90 5.825 -3.668 0.048 708 HG23 ILE 90 HG23 ILE 90 4.995 -2.263 -0.622 709 HD11 ILE 90 HD11 ILE 90 1.686 -0.866 -0.209 710 HD12 ILE 90 HD12 ILE 90 3.281 -1.235 -0.865 711 HD13 ILE 90 HD13 ILE 90 3.128 -0.580 0.764 712 H GLU 91 HN GLU 91 5.111 -6.335 0.216 713 HA GLU 91 HA GLU 91 7.061 -6.810 2.339 714 HB2 GLU 91 HB2 GLU 91 6.448 -8.171 -0.279 715 HB3 GLU 91 HB1 GLU 91 7.917 -8.524 0.616 716 HG2 GLU 91 HG2 GLU 91 5.196 -8.772 1.843 717 HG3 GLU 91 HG1 GLU 91 5.954 -10.083 0.942 718 H VAL 92 HN VAL 92 8.896 -5.721 2.374 719 HA VAL 92 HA VAL 92 9.746 -4.328 -0.064 720 HB VAL 92 HB VAL 92 10.682 -3.853 2.770 721 HG11 VAL 92 HG11 VAL 92 11.034 -2.218 0.260 722 HG12 VAL 92 HG12 VAL 92 12.284 -3.165 1.065 723 HG13 VAL 92 HG13 VAL 92 11.581 -1.765 1.874 724 HG21 VAL 92 HG21 VAL 92 8.322 -3.327 2.590 725 HG22 VAL 92 HG22 VAL 92 8.622 -2.365 1.143 726 HG23 VAL 92 HG23 VAL 92 9.265 -1.840 2.700 727 H LEU 93 HN LEU 93 10.984 -5.716 -1.188 728 HA LEU 93 HA LEU 93 13.064 -7.252 0.130 729 HB2 LEU 93 HB2 LEU 93 11.900 -8.303 -1.713 730 HB3 LEU 93 HB1 LEU 93 12.282 -6.959 -2.772 731 HG LEU 93 HG LEU 93 14.691 -7.553 -2.591 732 HD11 LEU 93 HD11 LEU 93 13.657 -9.989 -1.151 733 HD12 LEU 93 HD12 LEU 93 14.616 -8.693 -0.436 734 HD13 LEU 93 HD13 LEU 93 15.316 -9.722 -1.684 735 HD21 LEU 93 HD21 LEU 93 13.369 -8.312 -4.483 736 HD22 LEU 93 HD22 LEU 93 12.870 -9.742 -3.579 737 HD23 LEU 93 HD23 LEU 93 14.561 -9.529 -4.029 738 H GLU 94 HN GLU 94 14.388 -5.641 0.970 739 HA GLU 94 HA GLU 94 15.404 -3.499 -0.630 740 HB2 GLU 94 HB2 GLU 94 16.514 -4.553 1.972 741 HB3 GLU 94 HB1 GLU 94 16.747 -2.950 1.287 742 HG2 GLU 94 HG2 GLU 94 14.376 -2.474 1.577 743 HG3 GLU 94 HG1 GLU 94 14.133 -4.084 2.252 744 H GLY 95 HN GLY 95 16.472 -6.693 0.276 745 HA2 GLY 95 HA2 GLY 95 17.987 -7.522 -1.675 746 HA3 GLY 95 HA1 GLY 95 19.066 -6.296 -1.018 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -30.366 -6.573 9.699 2 H2 MET 1 HT2 MET 1 -31.895 -6.305 10.359 3 H3 MET 1 HT3 MET 1 -30.533 -5.617 11.080 4 HA MET 1 HA MET 1 -31.502 -4.991 8.364 5 HB2 MET 1 HB2 MET 1 -33.071 -4.196 10.073 6 HB3 MET 1 HB1 MET 1 -31.755 -3.407 10.929 7 HG2 MET 1 HG2 MET 1 -31.404 -1.916 9.034 8 HG3 MET 1 HG1 MET 1 -32.707 -2.717 8.159 9 HE1 MET 1 HE1 MET 1 -31.773 -0.524 11.276 10 HE2 MET 1 HE2 MET 1 -32.632 -1.874 12.020 11 HE3 MET 1 HE3 MET 1 -33.350 -0.263 12.021 12 H ALA 2 HN ALA 2 -29.512 -5.001 7.408 13 HA ALA 2 HA ALA 2 -27.550 -4.142 6.669 14 HB1 ALA 2 HB1 ALA 2 -28.596 -1.611 7.919 15 HB2 ALA 2 HB2 ALA 2 -29.043 -2.228 6.329 16 HB3 ALA 2 HB3 ALA 2 -27.381 -1.732 6.648 17 H HIS 3 HN HIS 3 -26.926 -5.556 8.840 18 HA HIS 3 HA HIS 3 -25.263 -3.844 10.525 19 HB2 HIS 3 HB2 HIS 3 -26.173 -6.681 10.739 20 HB3 HIS 3 HB1 HIS 3 -24.700 -6.197 11.566 21 HD1 HIS 3 HD1 HIS 3 -25.090 -5.520 13.898 22 HD2 HIS 3 HD2 HIS 3 -28.388 -4.718 11.499 23 HE1 HIS 3 HE1 HIS 3 -26.821 -4.542 15.435 24 HE2 HIS 3 HE2 HIS 3 -28.827 -4.110 13.973 25 H HIS 4 HN HIS 4 -24.350 -3.621 8.106 26 HA HIS 4 HA HIS 4 -21.677 -4.528 8.343 27 HB2 HIS 4 HB2 HIS 4 -21.464 -5.892 6.372 28 HB3 HIS 4 HB1 HIS 4 -22.746 -6.581 7.355 29 HD1 HIS 4 HD1 HIS 4 -21.996 -5.610 3.973 30 HD2 HIS 4 HD2 HIS 4 -25.427 -5.770 6.321 31 HE1 HIS 4 HE1 HIS 4 -23.925 -5.574 2.360 32 HE2 HIS 4 HE2 HIS 4 -25.980 -5.812 3.793 33 H HIS 5 HN HIS 5 -20.390 -3.040 7.429 34 HA HIS 5 HA HIS 5 -21.218 -1.518 5.121 35 HB2 HIS 5 HB2 HIS 5 -22.352 -0.281 6.916 36 HB3 HIS 5 HB1 HIS 5 -20.839 -0.142 7.798 37 HD1 HIS 5 HD1 HIS 5 -22.590 1.198 4.724 38 HD2 HIS 5 HD2 HIS 5 -19.216 1.960 7.036 39 HE1 HIS 5 HE1 HIS 5 -21.707 3.414 3.931 40 HE2 HIS 5 HE2 HIS 5 -19.594 3.788 5.247 41 H HIS 6 HN HIS 6 -19.331 -2.695 4.411 42 HA HIS 6 HA HIS 6 -16.785 -1.899 5.572 43 HB2 HIS 6 HB2 HIS 6 -17.268 -4.262 4.770 44 HB3 HIS 6 HB1 HIS 6 -17.202 -3.624 3.130 45 HD1 HIS 6 HD1 HIS 6 -14.983 -4.034 2.102 46 HD2 HIS 6 HD2 HIS 6 -14.708 -3.367 6.194 47 HE1 HIS 6 HE1 HIS 6 -12.538 -4.207 2.653 48 HE2 HIS 6 HE2 HIS 6 -12.433 -4.021 5.170 49 H HIS 7 HN HIS 7 -18.670 -1.430 2.646 50 HA HIS 7 HA HIS 7 -16.688 0.020 1.231 51 HB2 HIS 7 HB2 HIS 7 -19.686 -0.138 0.944 52 HB3 HIS 7 HB1 HIS 7 -18.697 0.886 -0.094 53 HD1 HIS 7 HD1 HIS 7 -20.219 -2.284 -0.143 54 HD2 HIS 7 HD2 HIS 7 -16.469 -0.880 -1.255 55 HE1 HIS 7 HE1 HIS 7 -19.308 -3.991 -1.741 56 HE2 HIS 7 HE2 HIS 7 -17.050 -3.109 -2.429 57 H HIS 8 HN HIS 8 -16.237 2.123 1.142 58 HA HIS 8 HA HIS 8 -17.723 3.930 2.931 59 HB2 HIS 8 HB2 HIS 8 -15.661 3.161 4.068 60 HB3 HIS 8 HB1 HIS 8 -14.707 3.747 2.712 61 HD1 HIS 8 HD1 HIS 8 -16.710 4.949 5.650 62 HD2 HIS 8 HD2 HIS 8 -14.215 6.488 2.705 63 HE1 HIS 8 HE1 HIS 8 -16.203 7.303 6.356 64 HE2 HIS 8 HE2 HIS 8 -14.888 8.277 4.447 65 H VAL 9 HN VAL 9 -15.937 3.358 0.030 66 HA VAL 9 HA VAL 9 -16.655 6.046 -0.920 67 HB VAL 9 HB VAL 9 -13.995 4.712 -1.462 68 HG11 VAL 9 HG11 VAL 9 -15.038 7.423 -2.276 69 HG12 VAL 9 HG12 VAL 9 -14.803 6.039 -3.343 70 HG13 VAL 9 HG13 VAL 9 -13.413 6.809 -2.578 71 HG21 VAL 9 HG21 VAL 9 -13.962 5.516 0.780 72 HG22 VAL 9 HG22 VAL 9 -14.717 7.036 0.308 73 HG23 VAL 9 HG23 VAL 9 -13.071 6.675 -0.207 74 H ASP 10 HN ASP 10 -15.202 2.990 -2.026 75 HA ASP 10 HA ASP 10 -15.385 1.836 -3.980 76 HB2 ASP 10 HB2 ASP 10 -17.448 1.192 -2.731 77 HB3 ASP 10 HB1 ASP 10 -18.324 2.445 -3.601 78 H ASP 11 HN ASP 11 -14.462 4.167 -4.629 79 HA ASP 11 HA ASP 11 -15.911 4.893 -7.080 80 HB2 ASP 11 HB2 ASP 11 -16.251 6.623 -5.289 81 HB3 ASP 11 HB1 ASP 11 -14.510 6.873 -5.263 82 H ASP 12 HN ASP 12 -14.018 3.022 -7.085 83 HA ASP 12 HA ASP 12 -11.694 4.365 -8.280 84 HB2 ASP 12 HB2 ASP 12 -11.130 3.564 -5.986 85 HB3 ASP 12 HB1 ASP 12 -11.548 1.930 -6.486 86 H ASP 13 HN ASP 13 -10.681 3.199 -9.948 87 HA ASP 13 HA ASP 13 -12.455 1.831 -11.645 88 HB2 ASP 13 HB2 ASP 13 -10.527 3.105 -12.486 89 HB3 ASP 13 HB1 ASP 13 -9.432 1.932 -11.760 90 H LYS 14 HN LYS 14 -13.301 -0.036 -10.970 91 HA LYS 14 HA LYS 14 -11.583 -2.031 -9.710 92 HB2 LYS 14 HB2 LYS 14 -13.863 -1.239 -8.792 93 HB3 LYS 14 HB1 LYS 14 -14.572 -2.204 -10.074 94 HG2 LYS 14 HG2 LYS 14 -12.613 -3.473 -8.223 95 HG3 LYS 14 HG1 LYS 14 -14.256 -3.170 -7.664 96 HD2 LYS 14 HD2 LYS 14 -13.558 -4.706 -10.163 97 HD3 LYS 14 HD1 LYS 14 -13.909 -5.448 -8.602 98 HE2 LYS 14 HE2 LYS 14 -15.785 -3.723 -10.221 99 HE3 LYS 14 HE1 LYS 14 -15.874 -5.473 -10.041 100 HZ1 LYS 14 HZ1 LYS 14 -16.257 -5.178 -7.678 101 HZ2 LYS 14 HZ2 LYS 14 -17.429 -4.354 -8.577 102 HZ3 LYS 14 HZ3 LYS 14 -16.169 -3.496 -7.845 103 H MET 15 HN MET 15 -10.543 -2.281 -11.866 104 HA MET 15 HA MET 15 -12.078 -4.137 -13.560 105 HB2 MET 15 HB2 MET 15 -11.364 -2.086 -14.725 106 HB3 MET 15 HB1 MET 15 -9.692 -2.435 -14.310 107 HG2 MET 15 HG2 MET 15 -9.785 -4.480 -15.640 108 HG3 MET 15 HG1 MET 15 -11.463 -4.135 -16.052 109 HE1 MET 15 HE1 MET 15 -11.144 -0.914 -18.235 110 HE2 MET 15 HE2 MET 15 -11.377 -0.948 -16.489 111 HE3 MET 15 HE3 MET 15 -12.238 -2.095 -17.516 112 H GLY 16 HN GLY 16 -8.915 -3.513 -12.094 113 HA2 GLY 16 HA2 GLY 16 -7.864 -6.081 -12.849 114 HA3 GLY 16 HA1 GLY 16 -7.102 -4.911 -11.782 115 H GLY 17 HN GLY 17 -9.904 -5.018 -10.361 116 HA2 GLY 17 HA2 GLY 17 -10.510 -7.422 -9.280 117 HA3 GLY 17 HA1 GLY 17 -9.065 -6.952 -8.395 118 HA PRO 18 HA PRO 18 -13.166 -5.136 -6.619 119 HB2 PRO 18 HB2 PRO 18 -12.845 -6.406 -4.179 120 HB3 PRO 18 HB1 PRO 18 -13.900 -6.967 -5.481 121 HG2 PRO 18 HG2 PRO 18 -11.135 -7.853 -4.766 122 HG3 PRO 18 HG1 PRO 18 -12.526 -8.823 -5.286 123 HD2 PRO 18 HD2 PRO 18 -10.548 -8.232 -6.983 124 HD3 PRO 18 HD1 PRO 18 -12.240 -8.260 -7.525 125 H THR 19 HN THR 19 -13.217 -3.485 -5.090 126 HA THR 19 HA THR 19 -10.650 -2.311 -4.539 127 HB THR 19 HB THR 19 -12.049 -0.453 -3.557 128 HG1 THR 19 HG1 THR 19 -14.347 -0.657 -4.307 129 HG21 THR 19 HG21 THR 19 -12.889 0.308 -5.754 130 HG22 THR 19 HG22 THR 19 -12.611 -1.310 -6.398 131 HG23 THR 19 HG23 THR 19 -11.249 -0.334 -5.846 132 H VAL 20 HN VAL 20 -9.661 -2.054 -2.634 133 HA VAL 20 HA VAL 20 -10.918 -3.280 -0.278 134 HB VAL 20 HB VAL 20 -8.000 -2.994 -0.854 135 HG11 VAL 20 HG11 VAL 20 -9.419 -4.366 1.416 136 HG12 VAL 20 HG12 VAL 20 -8.468 -2.884 1.523 137 HG13 VAL 20 HG13 VAL 20 -7.680 -4.412 1.124 138 HG21 VAL 20 HG21 VAL 20 -8.983 -4.656 -2.314 139 HG22 VAL 20 HG22 VAL 20 -9.748 -5.442 -0.931 140 HG23 VAL 20 HG23 VAL 20 -7.991 -5.443 -1.086 141 H LEU 21 HN LEU 21 -11.539 -1.830 1.182 142 HA LEU 21 HA LEU 21 -10.652 0.846 1.218 143 HB2 LEU 21 HB2 LEU 21 -12.803 0.164 2.191 144 HB3 LEU 21 HB1 LEU 21 -11.960 -0.777 3.405 145 HG LEU 21 HG LEU 21 -10.924 1.362 4.224 146 HD11 LEU 21 HD11 LEU 21 -12.959 2.589 2.372 147 HD12 LEU 21 HD12 LEU 21 -11.204 2.734 2.258 148 HD13 LEU 21 HD13 LEU 21 -12.063 3.457 3.619 149 HD21 LEU 21 HD21 LEU 21 -13.925 1.136 4.309 150 HD22 LEU 21 HD22 LEU 21 -12.930 2.077 5.422 151 HD23 LEU 21 HD23 LEU 21 -12.778 0.320 5.375 152 H VAL 22 HN VAL 22 -8.717 1.514 1.735 153 HA VAL 22 HA VAL 22 -7.147 -0.005 3.687 154 HB VAL 22 HB VAL 22 -6.244 2.222 1.852 155 HG11 VAL 22 HG11 VAL 22 -4.917 1.993 3.913 156 HG12 VAL 22 HG12 VAL 22 -3.995 1.565 2.474 157 HG13 VAL 22 HG13 VAL 22 -4.629 0.296 3.524 158 HG21 VAL 22 HG21 VAL 22 -5.868 -0.757 1.607 159 HG22 VAL 22 HG22 VAL 22 -5.143 0.463 0.561 160 HG23 VAL 22 HG23 VAL 22 -6.893 0.252 0.585 161 H LYS 23 HN LYS 23 -6.618 0.834 5.612 162 HA LYS 23 HA LYS 23 -7.382 3.628 6.133 163 HB2 LYS 23 HB2 LYS 23 -7.442 1.263 8.016 164 HB3 LYS 23 HB1 LYS 23 -7.765 2.926 8.483 165 HG2 LYS 23 HG2 LYS 23 -9.688 2.994 7.000 166 HG3 LYS 23 HG1 LYS 23 -9.355 1.344 6.476 167 HD2 LYS 23 HD2 LYS 23 -9.732 0.534 8.743 168 HD3 LYS 23 HD1 LYS 23 -10.026 2.185 9.294 169 HE2 LYS 23 HE2 LYS 23 -11.963 2.352 7.842 170 HE3 LYS 23 HE1 LYS 23 -11.649 0.740 7.206 171 HZ1 LYS 23 HZ1 LYS 23 -12.011 -0.140 9.450 172 HZ2 LYS 23 HZ2 LYS 23 -13.376 0.654 8.854 173 HZ3 LYS 23 HZ3 LYS 23 -12.391 1.413 9.999 174 H ARG 24 HN ARG 24 -4.976 1.147 6.353 175 HA ARG 24 HA ARG 24 -2.943 3.131 6.658 176 HB2 ARG 24 HB2 ARG 24 -1.918 2.261 8.692 177 HB3 ARG 24 HB1 ARG 24 -3.557 2.801 9.029 178 HG2 ARG 24 HG2 ARG 24 -4.359 0.541 9.067 179 HG3 ARG 24 HG1 ARG 24 -2.792 -0.068 8.532 180 HD2 ARG 24 HD2 ARG 24 -3.038 -0.406 10.915 181 HD3 ARG 24 HD1 ARG 24 -1.778 0.785 10.602 182 HE ARG 24 HE ARG 24 -4.400 1.886 11.113 183 HH11 ARG 24 HH11 ARG 24 -1.342 0.902 12.481 184 HH12 ARG 24 HH12 ARG 24 -1.525 1.862 13.914 185 HH21 ARG 24 HH21 ARG 24 -4.655 3.157 13.008 186 HH22 ARG 24 HH22 ARG 24 -3.411 3.135 14.217 187 H PHE 25 HN PHE 25 -0.839 2.315 6.269 188 HA PHE 25 HA PHE 25 -0.849 -0.314 4.948 189 HB2 PHE 25 HB2 PHE 25 0.926 2.106 4.567 190 HB3 PHE 25 HB1 PHE 25 1.256 0.542 3.832 191 HD1 PHE 25 HD1 PHE 25 -1.398 3.135 4.078 192 HD2 PHE 25 HD2 PHE 25 0.389 0.060 1.753 193 HE1 PHE 25 HE1 PHE 25 -2.836 3.740 2.182 194 HE2 PHE 25 HE2 PHE 25 -1.035 0.660 -0.147 195 HZ PHE 25 HZ PHE 25 -2.701 2.465 0.080 196 H GLN 26 HN GLN 26 0.702 -1.821 5.410 197 HA GLN 26 HA GLN 26 2.545 -1.199 7.622 198 HB2 GLN 26 HB2 GLN 26 0.679 -2.675 8.349 199 HB3 GLN 26 HB1 GLN 26 1.147 -3.843 7.121 200 HG2 GLN 26 HG2 GLN 26 2.094 -4.662 9.082 201 HG3 GLN 26 HG1 GLN 26 3.431 -3.853 8.268 202 HE21 GLN 26 HE21 GLN 26 4.599 -3.446 10.105 203 HE22 GLN 26 HE22 GLN 26 4.096 -2.328 11.321 204 H LEU 27 HN LEU 27 4.641 -1.604 7.181 205 HA LEU 27 HA LEU 27 5.226 -2.998 4.653 206 HB2 LEU 27 HB2 LEU 27 6.728 -0.941 6.252 207 HB3 LEU 27 HB1 LEU 27 7.543 -1.926 5.058 208 HG LEU 27 HG LEU 27 6.993 0.231 4.118 209 HD11 LEU 27 HD11 LEU 27 6.968 -1.583 2.567 210 HD12 LEU 27 HD12 LEU 27 5.644 -0.487 2.170 211 HD13 LEU 27 HD13 LEU 27 5.314 -1.999 3.010 212 HD21 LEU 27 HD21 LEU 27 4.121 -0.421 4.742 213 HD22 LEU 27 HD22 LEU 27 4.690 0.970 3.818 214 HD23 LEU 27 HD23 LEU 27 5.103 0.818 5.526 215 H SER 28 HN SER 28 6.478 -4.790 4.614 216 HA SER 28 HA SER 28 7.507 -5.747 7.205 217 HB2 SER 28 HB2 SER 28 5.420 -6.928 6.469 218 HB3 SER 28 HB1 SER 28 6.287 -7.469 5.035 219 HG SER 28 HG SER 28 7.232 -8.954 6.182 220 H GLY 29 HN GLY 29 9.613 -6.276 7.201 221 HA2 GLY 29 HA2 GLY 29 11.528 -7.344 6.298 222 HA3 GLY 29 HA1 GLY 29 10.852 -7.138 4.690 223 H ASN 30 HN ASN 30 10.261 -4.254 5.823 224 HA ASN 30 HA ASN 30 12.443 -2.995 4.537 225 HB2 ASN 30 HB2 ASN 30 11.435 -0.902 5.355 226 HB3 ASN 30 HB1 ASN 30 10.224 -1.965 4.647 227 HD21 ASN 30 HD21 ASN 30 11.260 -0.320 7.463 228 HD22 ASN 30 HD22 ASN 30 9.975 -0.837 8.506 229 H ARG 31 HN ARG 31 14.170 -1.880 5.355 230 HA ARG 31 HA ARG 31 14.642 -1.900 8.244 231 HB2 ARG 31 HB2 ARG 31 15.680 -3.960 7.411 232 HB3 ARG 31 HB1 ARG 31 16.563 -3.041 6.202 233 HG2 ARG 31 HG2 ARG 31 18.026 -3.603 8.022 234 HG3 ARG 31 HG1 ARG 31 17.751 -1.859 8.005 235 HD2 ARG 31 HD2 ARG 31 17.648 -2.711 10.275 236 HD3 ARG 31 HD1 ARG 31 16.069 -2.115 9.768 237 HE ARG 31 HE ARG 31 16.485 -4.948 9.374 238 HH11 ARG 31 HH11 ARG 31 15.335 -2.453 11.533 239 HH12 ARG 31 HH12 ARG 31 14.354 -3.538 12.467 240 HH21 ARG 31 HH21 ARG 31 15.192 -6.377 10.587 241 HH22 ARG 31 HH22 ARG 31 14.262 -5.767 11.921 242 H GLN 32 HN GLN 32 15.584 -0.878 5.021 243 HA GLN 32 HA GLN 32 17.388 1.165 5.821 244 HB2 GLN 32 HB2 GLN 32 15.832 0.744 3.268 245 HB3 GLN 32 HB1 GLN 32 17.061 1.980 3.467 246 HG2 GLN 32 HG2 GLN 32 17.460 -0.995 3.632 247 HG3 GLN 32 HG1 GLN 32 17.989 0.072 2.333 248 HE21 GLN 32 HE21 GLN 32 19.544 -1.708 4.044 249 HE22 GLN 32 HE22 GLN 32 20.727 -0.710 4.816 250 H PHE 33 HN PHE 33 13.974 1.156 4.917 251 HA PHE 33 HA PHE 33 13.694 3.731 6.308 252 HB2 PHE 33 HB2 PHE 33 12.138 2.810 3.875 253 HB3 PHE 33 HB1 PHE 33 11.864 4.302 4.766 254 HD1 PHE 33 HD2 PHE 33 13.666 6.044 4.811 255 HD2 PHE 33 HD1 PHE 33 13.781 2.688 2.199 256 HE1 PHE 33 HE2 PHE 33 15.314 7.202 3.402 257 HE2 PHE 33 HE1 PHE 33 15.433 3.839 0.787 258 HZ PHE 33 HZ PHE 33 16.202 6.099 1.389 259 H ASP 34 HN ASP 34 11.705 3.988 7.464 260 HA ASP 34 HA ASP 34 10.684 1.407 8.395 261 HB2 ASP 34 HB2 ASP 34 9.992 2.520 10.385 262 HB3 ASP 34 HB1 ASP 34 11.604 3.124 10.018 263 H ASP 35 HN ASP 35 8.279 1.552 9.142 264 HA ASP 35 HA ASP 35 6.661 1.635 6.912 265 HB2 ASP 35 HB2 ASP 35 5.807 2.106 9.771 266 HB3 ASP 35 HB1 ASP 35 4.723 1.727 8.446 267 H ARG 36 HN ARG 36 7.040 4.137 9.391 268 HA ARG 36 HA ARG 36 5.087 5.887 8.490 269 HB2 ARG 36 HB2 ARG 36 7.645 6.404 9.975 270 HB3 ARG 36 HB1 ARG 36 6.425 7.639 9.689 271 HG2 ARG 36 HG2 ARG 36 4.813 6.471 10.975 272 HG3 ARG 36 HG1 ARG 36 5.835 5.035 11.062 273 HD2 ARG 36 HD2 ARG 36 5.878 6.286 13.149 274 HD3 ARG 36 HD1 ARG 36 7.462 6.260 12.380 275 HE ARG 36 HE ARG 36 6.156 8.585 11.562 276 HH11 ARG 36 HH11 ARG 36 7.412 7.180 14.514 277 HH12 ARG 36 HH12 ARG 36 7.791 8.713 15.230 278 HH21 ARG 36 HH21 ARG 36 6.659 10.600 12.501 279 HH22 ARG 36 HH22 ARG 36 7.344 10.657 14.096 280 H ARG 37 HN ARG 37 8.390 5.465 7.376 281 HA ARG 37 HA ARG 37 8.392 7.880 5.828 282 HB2 ARG 37 HB2 ARG 37 10.486 6.899 6.706 283 HB3 ARG 37 HB1 ARG 37 10.255 5.504 5.660 284 HG2 ARG 37 HG2 ARG 37 11.870 7.067 4.718 285 HG3 ARG 37 HG1 ARG 37 10.440 6.930 3.693 286 HD2 ARG 37 HD2 ARG 37 9.546 8.990 4.740 287 HD3 ARG 37 HD1 ARG 37 11.046 9.145 5.646 288 HE ARG 37 HE ARG 37 12.187 9.577 3.589 289 HH11 ARG 37 HH11 ARG 37 8.698 9.491 3.335 290 HH12 ARG 37 HH12 ARG 37 8.653 10.436 1.882 291 HH21 ARG 37 HH21 ARG 37 12.117 10.848 1.668 292 HH22 ARG 37 HH22 ARG 37 10.581 11.194 0.937 293 H LEU 38 HN LEU 38 7.906 4.438 5.158 294 HA LEU 38 HA LEU 38 7.685 4.868 2.330 295 HB2 LEU 38 HB2 LEU 38 7.163 2.494 4.099 296 HB3 LEU 38 HB1 LEU 38 6.769 2.465 2.395 297 HG LEU 38 HG LEU 38 8.848 1.835 1.922 298 HD11 LEU 38 HD11 LEU 38 10.786 3.290 2.353 299 HD12 LEU 38 HD12 LEU 38 9.753 4.330 3.333 300 HD13 LEU 38 HD13 LEU 38 9.429 4.135 1.608 301 HD21 LEU 38 HD21 LEU 38 9.423 2.166 4.855 302 HD22 LEU 38 HD22 LEU 38 10.478 1.357 3.696 303 HD23 LEU 38 HD23 LEU 38 8.880 0.700 4.039 304 H LEU 39 HN LEU 39 5.510 4.796 5.019 305 HA LEU 39 HA LEU 39 3.038 4.537 3.725 306 HB2 LEU 39 HB2 LEU 39 4.019 5.609 6.288 307 HB3 LEU 39 HB1 LEU 39 2.484 6.257 5.754 308 HG LEU 39 HG LEU 39 1.431 4.142 5.860 309 HD11 LEU 39 HD11 LEU 39 3.187 2.801 4.815 310 HD12 LEU 39 HD12 LEU 39 2.610 2.061 6.308 311 HD13 LEU 39 HD13 LEU 39 4.150 2.918 6.287 312 HD21 LEU 39 HD21 LEU 39 3.338 4.350 8.180 313 HD22 LEU 39 HD22 LEU 39 1.802 3.482 8.169 314 HD23 LEU 39 HD23 LEU 39 1.825 5.238 8.007 315 H ALA 40 HN ALA 40 5.197 7.234 4.062 316 HA ALA 40 HA ALA 40 3.482 9.322 3.316 317 HB1 ALA 40 HB1 ALA 40 6.444 9.077 2.813 318 HB2 ALA 40 HB2 ALA 40 5.694 9.686 4.289 319 HB3 ALA 40 HB3 ALA 40 5.505 10.568 2.774 320 H LEU 41 HN LEU 41 4.957 6.832 1.415 321 HA LEU 41 HA LEU 41 4.607 8.131 -1.116 322 HB2 LEU 41 HB2 LEU 41 5.067 5.259 -0.325 323 HB3 LEU 41 HB1 LEU 41 4.890 5.767 -1.994 324 HG LEU 41 HG LEU 41 6.909 7.297 -0.521 325 HD11 LEU 41 HD11 LEU 41 7.437 4.393 -1.096 326 HD12 LEU 41 HD12 LEU 41 7.126 5.036 0.512 327 HD13 LEU 41 HD13 LEU 41 8.548 5.562 -0.388 328 HD21 LEU 41 HD21 LEU 41 8.152 6.954 -2.549 329 HD22 LEU 41 HD22 LEU 41 6.490 7.369 -2.970 330 HD23 LEU 41 HD23 LEU 41 7.034 5.693 -3.071 331 H LEU 42 HN LEU 42 2.645 6.285 1.031 332 HA LEU 42 HA LEU 42 0.537 6.035 -1.001 333 HB2 LEU 42 HB2 LEU 42 0.704 4.707 1.704 334 HB3 LEU 42 HB1 LEU 42 -0.523 4.423 0.491 335 HG LEU 42 HG LEU 42 0.718 2.609 0.041 336 HD11 LEU 42 HD11 LEU 42 2.425 4.667 -1.337 337 HD12 LEU 42 HD12 LEU 42 0.977 3.894 -1.985 338 HD13 LEU 42 HD13 LEU 42 2.427 2.938 -1.680 339 HD21 LEU 42 HD21 LEU 42 2.142 2.961 1.992 340 HD22 LEU 42 HD22 LEU 42 3.187 4.013 1.034 341 HD23 LEU 42 HD23 LEU 42 3.036 2.303 0.624 342 H HIS 43 HN HIS 43 1.427 8.362 0.753 343 HA HIS 43 HA HIS 43 -0.201 8.822 2.915 344 HB2 HIS 43 HB2 HIS 43 0.488 11.080 2.837 345 HB3 HIS 43 HB1 HIS 43 1.806 10.163 2.127 346 HD1 HIS 43 HD1 HIS 43 -0.526 12.907 1.434 347 HD2 HIS 43 HD2 HIS 43 1.955 10.396 -0.759 348 HE1 HIS 43 HE1 HIS 43 -0.296 13.984 -0.823 349 HE2 HIS 43 HE2 HIS 43 1.055 12.353 -2.187 350 H ASP 44 HN ASP 44 -1.180 8.938 -0.404 351 HA ASP 44 HA ASP 44 -3.550 10.532 0.305 352 HB2 ASP 44 HB2 ASP 44 -3.733 11.145 -1.994 353 HB3 ASP 44 HB1 ASP 44 -2.042 11.345 -1.546 354 H LEU 45 HN LEU 45 -2.732 7.388 0.097 355 HA LEU 45 HA LEU 45 -4.845 6.503 -1.666 356 HB2 LEU 45 HB2 LEU 45 -2.825 4.957 -0.062 357 HB3 LEU 45 HB1 LEU 45 -4.037 4.211 -1.084 358 HG LEU 45 HG LEU 45 -1.777 5.999 -1.982 359 HD11 LEU 45 HD11 LEU 45 -1.127 3.714 -1.402 360 HD12 LEU 45 HD12 LEU 45 -1.001 4.006 -3.138 361 HD13 LEU 45 HD13 LEU 45 -2.362 3.087 -2.495 362 HD21 LEU 45 HD21 LEU 45 -2.572 5.507 -4.265 363 HD22 LEU 45 HD22 LEU 45 -3.727 6.461 -3.337 364 HD23 LEU 45 HD23 LEU 45 -4.003 4.736 -3.578 365 HA PRO 46 HA PRO 46 -6.500 4.336 2.185 366 HB2 PRO 46 HB2 PRO 46 -5.719 4.961 4.666 367 HB3 PRO 46 HB1 PRO 46 -4.797 3.862 3.647 368 HG2 PRO 46 HG2 PRO 46 -4.284 6.737 4.251 369 HG3 PRO 46 HG1 PRO 46 -3.139 5.388 4.115 370 HD2 PRO 46 HD2 PRO 46 -3.629 7.220 2.114 371 HD3 PRO 46 HD1 PRO 46 -2.993 5.589 1.846 372 H GLY 47 HN GLY 47 -8.278 4.771 3.617 373 HA2 GLY 47 HA2 GLY 47 -9.970 6.248 4.396 374 HA3 GLY 47 HA1 GLY 47 -9.173 7.570 3.543 375 H GLN 48 HN GLN 48 -8.760 5.555 1.336 376 HA GLN 48 HA GLN 48 -11.435 5.673 0.123 377 HB2 GLN 48 HB2 GLN 48 -8.697 5.821 -1.148 378 HB3 GLN 48 HB1 GLN 48 -10.194 5.670 -2.054 379 HG2 GLN 48 HG2 GLN 48 -10.924 7.807 -1.406 380 HG3 GLN 48 HG1 GLN 48 -9.691 7.930 -0.154 381 HE21 GLN 48 HE21 GLN 48 -7.567 6.886 -1.807 382 HE22 GLN 48 HE22 GLN 48 -7.169 8.125 -2.946 383 H GLU 49 HN GLU 49 -11.569 3.963 -1.701 384 HA GLU 49 HA GLU 49 -10.533 1.444 -0.607 385 HB2 GLU 49 HB2 GLU 49 -12.968 1.943 -2.326 386 HB3 GLU 49 HB1 GLU 49 -12.417 0.358 -1.795 387 HG2 GLU 49 HG2 GLU 49 -12.677 1.086 0.538 388 HG3 GLU 49 HG1 GLU 49 -13.324 2.618 -0.035 389 H LEU 50 HN LEU 50 -8.818 0.810 -1.594 390 HA LEU 50 HA LEU 50 -8.268 1.649 -4.339 391 HB2 LEU 50 HB2 LEU 50 -6.552 0.403 -2.193 392 HB3 LEU 50 HB1 LEU 50 -5.970 0.809 -3.798 393 HG LEU 50 HG LEU 50 -5.218 2.572 -2.485 394 HD11 LEU 50 HD11 LEU 50 -6.501 4.543 -3.101 395 HD12 LEU 50 HD12 LEU 50 -7.870 3.521 -3.540 396 HD13 LEU 50 HD13 LEU 50 -6.363 3.416 -4.452 397 HD21 LEU 50 HD21 LEU 50 -6.590 3.745 -0.811 398 HD22 LEU 50 HD22 LEU 50 -6.360 2.039 -0.433 399 HD23 LEU 50 HD23 LEU 50 -7.893 2.594 -1.105 400 H ASN 51 HN ASN 51 -8.471 0.272 -6.005 401 HA ASN 51 HA ASN 51 -9.176 -2.476 -5.540 402 HB2 ASN 51 HB2 ASN 51 -9.649 -2.615 -7.824 403 HB3 ASN 51 HB1 ASN 51 -9.972 -0.924 -7.461 404 HD21 ASN 51 HD21 ASN 51 -8.436 0.658 -8.102 405 HD22 ASN 51 HD22 ASN 51 -7.343 0.331 -9.411 406 H LEU 52 HN LEU 52 -8.045 -4.230 -6.868 407 HA LEU 52 HA LEU 52 -5.620 -4.801 -5.755 408 HB2 LEU 52 HB2 LEU 52 -7.040 -5.779 -8.169 409 HB3 LEU 52 HB1 LEU 52 -5.348 -6.208 -8.020 410 HG LEU 52 HG LEU 52 -6.875 -7.960 -7.176 411 HD11 LEU 52 HD11 LEU 52 -5.143 -6.684 -5.068 412 HD12 LEU 52 HD12 LEU 52 -4.604 -7.801 -6.318 413 HD13 LEU 52 HD13 LEU 52 -5.715 -8.350 -5.065 414 HD21 LEU 52 HD21 LEU 52 -7.582 -5.932 -5.060 415 HD22 LEU 52 HD22 LEU 52 -8.069 -7.626 -5.077 416 HD23 LEU 52 HD23 LEU 52 -8.658 -6.526 -6.324 417 H SER 53 HN SER 53 -6.124 -3.252 -8.915 418 HA SER 53 HA SER 53 -3.486 -3.261 -9.794 419 HB2 SER 53 HB2 SER 53 -5.600 -1.158 -10.319 420 HB3 SER 53 HB1 SER 53 -4.156 -1.444 -11.292 421 HG SER 53 HG SER 53 -6.367 -2.487 -11.819 422 H GLN 54 HN GLN 54 -5.204 -0.835 -7.850 423 HA GLN 54 HA GLN 54 -2.888 0.852 -7.689 424 HB2 GLN 54 HB2 GLN 54 -5.678 0.967 -6.708 425 HB3 GLN 54 HB1 GLN 54 -4.489 1.882 -5.792 426 HG2 GLN 54 HG2 GLN 54 -3.786 2.961 -7.929 427 HG3 GLN 54 HG1 GLN 54 -5.130 2.144 -8.722 428 HE21 GLN 54 HE21 GLN 54 -6.878 2.419 -6.423 429 HE22 GLN 54 HE22 GLN 54 -7.363 4.074 -6.384 430 H LEU 55 HN LEU 55 -4.207 -1.749 -5.829 431 HA LEU 55 HA LEU 55 -2.911 -1.282 -3.387 432 HB2 LEU 55 HB2 LEU 55 -3.556 -3.917 -4.709 433 HB3 LEU 55 HB1 LEU 55 -3.083 -3.733 -3.041 434 HG LEU 55 HG LEU 55 -5.621 -2.701 -4.302 435 HD11 LEU 55 HD11 LEU 55 -5.161 -4.795 -2.184 436 HD12 LEU 55 HD12 LEU 55 -5.559 -5.118 -3.868 437 HD13 LEU 55 HD13 LEU 55 -6.718 -4.284 -2.835 438 HD21 LEU 55 HD21 LEU 55 -4.817 -1.123 -2.629 439 HD22 LEU 55 HD22 LEU 55 -4.642 -2.433 -1.461 440 HD23 LEU 55 HD23 LEU 55 -6.244 -1.984 -2.050 441 H HIS 56 HN HIS 56 -1.823 -3.246 -6.181 442 HA HIS 56 HA HIS 56 0.764 -3.586 -4.973 443 HB2 HIS 56 HB2 HIS 56 1.413 -4.756 -7.005 444 HB3 HIS 56 HB1 HIS 56 -0.118 -5.355 -6.394 445 HD1 HIS 56 HD1 HIS 56 1.261 -3.167 -9.165 446 HD2 HIS 56 HD2 HIS 56 -2.150 -5.350 -8.208 447 HE1 HIS 56 HE1 HIS 56 -0.134 -3.192 -11.254 448 HE2 HIS 56 HE2 HIS 56 -2.080 -4.697 -10.711 449 H ALA 57 HN ALA 57 -0.665 -1.310 -7.143 450 HA ALA 57 HA ALA 57 1.692 -0.175 -8.201 451 HB1 ALA 57 HB1 ALA 57 -0.900 1.233 -7.572 452 HB2 ALA 57 HB2 ALA 57 -0.571 0.330 -9.051 453 HB3 ALA 57 HB3 ALA 57 0.354 1.785 -8.680 454 H ALA 58 HN ALA 58 -0.001 0.209 -5.164 455 HA ALA 58 HA ALA 58 1.388 2.388 -4.095 456 HB1 ALA 58 HB1 ALA 58 0.294 -0.035 -2.664 457 HB2 ALA 58 HB2 ALA 58 -0.611 1.424 -3.063 458 HB3 ALA 58 HB3 ALA 58 0.723 1.502 -1.912 459 H ALA 59 HN ALA 59 2.125 -1.055 -4.137 460 HA ALA 59 HA ALA 59 4.497 -0.920 -2.599 461 HB1 ALA 59 HB1 ALA 59 3.669 -2.956 -4.666 462 HB2 ALA 59 HB2 ALA 59 3.266 -3.004 -2.950 463 HB3 ALA 59 HB3 ALA 59 4.946 -3.159 -3.467 464 H ALA 60 HN ALA 60 3.806 -0.630 -6.033 465 HA ALA 60 HA ALA 60 6.465 -0.676 -6.958 466 HB1 ALA 60 HB1 ALA 60 4.079 0.691 -8.195 467 HB2 ALA 60 HB2 ALA 60 4.528 -1.000 -8.420 468 HB3 ALA 60 HB3 ALA 60 5.586 0.280 -9.012 469 H ARG 61 HN ARG 61 4.415 1.932 -5.761 470 HA ARG 61 HA ARG 61 6.038 4.128 -6.348 471 HB2 ARG 61 HB2 ARG 61 4.326 3.632 -3.900 472 HB3 ARG 61 HB1 ARG 61 5.031 5.185 -4.319 473 HG2 ARG 61 HG2 ARG 61 3.715 5.245 -6.365 474 HG3 ARG 61 HG1 ARG 61 3.025 3.669 -5.969 475 HD2 ARG 61 HD2 ARG 61 2.040 4.596 -3.938 476 HD3 ARG 61 HD1 ARG 61 2.757 6.164 -4.292 477 HE ARG 61 HE ARG 61 1.062 5.161 -6.388 478 HH11 ARG 61 HH11 ARG 61 1.156 7.001 -3.402 479 HH12 ARG 61 HH12 ARG 61 -0.340 7.838 -3.717 480 HH21 ARG 61 HH21 ARG 61 -0.891 6.265 -6.816 481 HH22 ARG 61 HH22 ARG 61 -1.495 7.420 -5.672 482 H ILE 62 HN ILE 62 6.154 1.809 -3.728 483 HA ILE 62 HA ILE 62 8.232 3.147 -2.281 484 HB ILE 62 HB ILE 62 7.136 0.346 -2.019 485 HG12 ILE 62 HG12 ILE 62 6.536 2.845 -0.431 486 HG13 ILE 62 HG11 ILE 62 5.490 2.164 -1.671 487 HG21 ILE 62 HG21 ILE 62 9.338 0.457 -1.036 488 HG22 ILE 62 HG22 ILE 62 8.123 0.393 0.245 489 HG23 ILE 62 HG23 ILE 62 8.906 1.926 -0.158 490 HD11 ILE 62 HD11 ILE 62 6.306 0.772 0.854 491 HD12 ILE 62 HD12 ILE 62 5.157 0.188 -0.350 492 HD13 ILE 62 HD13 ILE 62 4.785 1.622 0.607 493 H GLY 63 HN GLY 63 8.031 0.452 -4.539 494 HA2 GLY 63 HA2 GLY 63 10.664 -0.473 -4.353 495 HA3 GLY 63 HA1 GLY 63 9.657 -0.582 -5.788 496 H ASP 64 HN ASP 64 9.297 2.017 -6.498 497 HA ASP 64 HA ASP 64 11.788 2.688 -7.687 498 HB2 ASP 64 HB2 ASP 64 9.664 3.226 -8.780 499 HB3 ASP 64 HB1 ASP 64 9.247 4.321 -7.469 500 H PHE 65 HN PHE 65 10.107 3.744 -4.821 501 HA PHE 65 HA PHE 65 11.510 6.077 -4.217 502 HB2 PHE 65 HB2 PHE 65 9.513 5.348 -2.973 503 HB3 PHE 65 HB1 PHE 65 10.416 3.991 -2.304 504 HD1 PHE 65 HD1 PHE 65 10.188 7.679 -2.362 505 HD2 PHE 65 HD2 PHE 65 11.756 4.250 -0.391 506 HE1 PHE 65 HE1 PHE 65 10.894 9.090 -0.479 507 HE2 PHE 65 HE2 PHE 65 12.468 5.658 1.496 508 HZ PHE 65 HZ PHE 65 12.039 8.082 1.452 509 H TYR 66 HN TYR 66 12.184 2.724 -3.282 510 HA TYR 66 HA TYR 66 14.573 3.223 -1.902 511 HB2 TYR 66 HB2 TYR 66 13.264 0.849 -3.108 512 HB3 TYR 66 HB1 TYR 66 14.981 0.719 -2.755 513 HD1 TYR 66 HD2 TYR 66 11.771 1.747 -1.124 514 HD2 TYR 66 HD1 TYR 66 15.649 0.064 -0.660 515 HE1 TYR 66 HE2 TYR 66 11.266 1.247 1.225 516 HE2 TYR 66 HE1 TYR 66 15.162 -0.437 1.688 517 HH TYR 66 HH TYR 66 13.654 -0.392 3.305 518 H GLN 67 HN GLN 67 14.016 2.318 -5.293 519 HA GLN 67 HA GLN 67 16.665 2.137 -6.134 520 HB2 GLN 67 HB2 GLN 67 14.363 3.230 -7.754 521 HB3 GLN 67 HB1 GLN 67 15.833 2.503 -8.381 522 HG2 GLN 67 HG2 GLN 67 15.192 0.354 -7.487 523 HG3 GLN 67 HG1 GLN 67 13.769 1.065 -6.733 524 HE21 GLN 67 HE21 GLN 67 13.291 2.810 -9.055 525 HE22 GLN 67 HE22 GLN 67 12.604 1.785 -10.265 526 H GLU 68 HN GLU 68 14.534 4.913 -5.855 527 HA GLU 68 HA GLU 68 16.186 6.843 -7.067 528 HB2 GLU 68 HB2 GLU 68 13.768 7.110 -6.613 529 HB3 GLU 68 HB1 GLU 68 14.113 7.197 -4.894 530 HG2 GLU 68 HG2 GLU 68 15.445 9.229 -5.297 531 HG3 GLU 68 HG1 GLU 68 14.995 9.153 -7.001 532 H LYS 69 HN LYS 69 16.121 5.457 -3.877 533 HA LYS 69 HA LYS 69 17.924 7.466 -2.786 534 HB2 LYS 69 HB2 LYS 69 16.771 4.977 -1.511 535 HB3 LYS 69 HB1 LYS 69 17.651 6.247 -0.675 536 HG2 LYS 69 HG2 LYS 69 15.028 6.627 -2.104 537 HG3 LYS 69 HG1 LYS 69 15.211 6.388 -0.365 538 HD2 LYS 69 HD2 LYS 69 16.534 8.434 -0.216 539 HD3 LYS 69 HD1 LYS 69 16.389 8.664 -1.960 540 HE2 LYS 69 HE2 LYS 69 13.968 8.863 -1.743 541 HE3 LYS 69 HE1 LYS 69 14.091 8.594 -0.008 542 HZ1 LYS 69 HZ1 LYS 69 15.368 10.860 -1.429 543 HZ2 LYS 69 HZ2 LYS 69 15.277 10.635 0.243 544 HZ3 LYS 69 HZ3 LYS 69 13.873 10.955 -0.648 545 H GLY 70 HN GLY 70 18.393 5.014 -4.796 546 HA2 GLY 70 HA2 GLY 70 20.644 4.470 -5.428 547 HA3 GLY 70 HA1 GLY 70 21.098 4.540 -3.736 548 H TYR 71 HN TYR 71 18.365 2.982 -3.442 549 HA TYR 71 HA TYR 71 19.684 0.388 -3.450 550 HB2 TYR 71 HB2 TYR 71 16.900 1.073 -2.488 551 HB3 TYR 71 HB1 TYR 71 17.826 -0.375 -2.110 552 HD1 TYR 71 HD1 TYR 71 20.053 0.000 -0.819 553 HD2 TYR 71 HD2 TYR 71 16.934 2.877 -1.069 554 HE1 TYR 71 HE1 TYR 71 20.937 1.126 1.176 555 HE2 TYR 71 HE2 TYR 71 17.806 4.010 0.922 556 HH TYR 71 HH TYR 71 19.194 3.464 2.900 557 H VAL 72 HN VAL 72 19.712 0.496 -5.844 558 HA VAL 72 HA VAL 72 17.283 0.416 -7.337 559 HB VAL 72 HB VAL 72 20.029 -0.488 -8.224 560 HG11 VAL 72 HG11 VAL 72 17.637 0.468 -9.792 561 HG12 VAL 72 HG12 VAL 72 18.262 -1.180 -9.736 562 HG13 VAL 72 HG13 VAL 72 19.223 0.102 -10.470 563 HG21 VAL 72 HG21 VAL 72 20.353 1.782 -9.059 564 HG22 VAL 72 HG22 VAL 72 20.122 1.779 -7.310 565 HG23 VAL 72 HG23 VAL 72 18.801 2.263 -8.374 566 H LEU 73 HN LEU 73 19.225 -1.915 -5.718 567 HA LEU 73 HA LEU 73 18.141 -4.215 -7.078 568 HB2 LEU 73 HB2 LEU 73 20.412 -4.201 -6.119 569 HB3 LEU 73 HB1 LEU 73 19.730 -4.000 -4.520 570 HG LEU 73 HG LEU 73 18.612 -6.219 -4.777 571 HD11 LEU 73 HD11 LEU 73 18.566 -6.320 -7.210 572 HD12 LEU 73 HD12 LEU 73 19.399 -7.720 -6.532 573 HD13 LEU 73 HD13 LEU 73 20.327 -6.402 -7.247 574 HD21 LEU 73 HD21 LEU 73 20.638 -7.520 -4.402 575 HD22 LEU 73 HD22 LEU 73 20.713 -5.972 -3.560 576 HD23 LEU 73 HD23 LEU 73 21.610 -6.206 -5.058 577 H ALA 74 HN ALA 74 16.924 -2.079 -4.866 578 HA ALA 74 HA ALA 74 15.429 -4.081 -3.344 579 HB1 ALA 74 HB1 ALA 74 15.768 -1.124 -2.896 580 HB2 ALA 74 HB2 ALA 74 16.592 -2.418 -2.026 581 HB3 ALA 74 HB3 ALA 74 14.848 -2.212 -1.858 582 H ARG 75 HN ARG 75 13.319 -4.354 -3.541 583 HA ARG 75 HA ARG 75 11.676 -2.321 -4.839 584 HB2 ARG 75 HB2 ARG 75 11.832 -5.212 -5.709 585 HB3 ARG 75 HB1 ARG 75 10.480 -4.164 -6.110 586 HG2 ARG 75 HG2 ARG 75 13.340 -3.647 -6.879 587 HG3 ARG 75 HG1 ARG 75 12.126 -4.379 -7.926 588 HD2 ARG 75 HD2 ARG 75 11.996 -1.614 -6.725 589 HD3 ARG 75 HD1 ARG 75 12.414 -1.994 -8.394 590 HE ARG 75 HE ARG 75 9.850 -3.022 -7.593 591 HH11 ARG 75 HH11 ARG 75 11.558 -0.258 -8.897 592 HH12 ARG 75 HH12 ARG 75 10.140 0.438 -9.622 593 HH21 ARG 75 HH21 ARG 75 7.987 -2.107 -8.538 594 HH22 ARG 75 HH22 ARG 75 8.113 -0.611 -9.418 595 H ALA 76 HN ALA 76 9.335 -2.817 -4.515 596 HA ALA 76 HA ALA 76 8.893 -4.388 -2.068 597 HB1 ALA 76 HB1 ALA 76 8.934 -2.005 -1.501 598 HB2 ALA 76 HB2 ALA 76 7.327 -2.694 -1.275 599 HB3 ALA 76 HB3 ALA 76 7.669 -1.701 -2.692 600 H PHE 77 HN PHE 77 7.089 -5.647 -2.062 601 HA PHE 77 HA PHE 77 5.228 -5.337 -4.311 602 HB2 PHE 77 HB2 PHE 77 5.188 -7.733 -4.704 603 HB3 PHE 77 HB1 PHE 77 6.835 -7.141 -4.863 604 HD1 PHE 77 HD1 PHE 77 8.503 -7.647 -3.111 605 HD2 PHE 77 HD2 PHE 77 4.581 -9.302 -3.030 606 HE1 PHE 77 HE1 PHE 77 9.259 -9.351 -1.506 607 HE2 PHE 77 HE2 PHE 77 5.326 -11.006 -1.422 608 HZ PHE 77 HZ PHE 77 7.670 -11.033 -0.658 609 H LEU 78 HN LEU 78 3.110 -5.828 -3.877 610 HA LEU 78 HA LEU 78 2.485 -6.180 -1.046 611 HB2 LEU 78 HB2 LEU 78 1.482 -4.281 -2.361 612 HB3 LEU 78 HB1 LEU 78 0.604 -5.472 -3.299 613 HG LEU 78 HG LEU 78 0.299 -5.354 -0.309 614 HD11 LEU 78 HD11 LEU 78 -1.644 -3.907 -0.625 615 HD12 LEU 78 HD12 LEU 78 -1.250 -3.752 -2.339 616 HD13 LEU 78 HD13 LEU 78 -0.152 -3.105 -1.116 617 HD21 LEU 78 HD21 LEU 78 -1.878 -6.328 -0.804 618 HD22 LEU 78 HD22 LEU 78 -0.575 -7.307 -1.481 619 HD23 LEU 78 HD23 LEU 78 -1.525 -6.257 -2.531 620 HA PRO 79 HA PRO 79 1.829 -10.524 -2.051 621 HB2 PRO 79 HB2 PRO 79 0.880 -11.071 0.502 622 HB3 PRO 79 HB1 PRO 79 2.563 -11.177 -0.005 623 HG2 PRO 79 HG2 PRO 79 1.165 -8.996 1.468 624 HG3 PRO 79 HG1 PRO 79 2.822 -9.596 1.649 625 HD2 PRO 79 HD2 PRO 79 2.256 -7.299 0.388 626 HD3 PRO 79 HD1 PRO 79 3.598 -8.343 -0.120 627 H ALA 80 HN ALA 80 0.098 -10.837 -3.291 628 HA ALA 80 HA ALA 80 -2.469 -9.695 -2.573 629 HB1 ALA 80 HB1 ALA 80 -1.652 -9.473 -4.865 630 HB2 ALA 80 HB2 ALA 80 -3.170 -10.370 -4.807 631 HB3 ALA 80 HB3 ALA 80 -1.648 -11.228 -5.036 632 H GLN 81 HN GLN 81 -0.931 -12.489 -1.806 633 HA GLN 81 HA GLN 81 -3.178 -14.279 -2.077 634 HB2 GLN 81 HB2 GLN 81 -0.833 -15.097 -2.207 635 HB3 GLN 81 HB1 GLN 81 -0.611 -14.653 -0.520 636 HG2 GLN 81 HG2 GLN 81 -2.308 -16.247 0.151 637 HG3 GLN 81 HG1 GLN 81 -2.605 -16.667 -1.535 638 HE21 GLN 81 HE21 GLN 81 -2.088 -18.817 -1.205 639 HE22 GLN 81 HE22 GLN 81 -0.463 -19.347 -0.947 640 H GLU 82 HN GLU 82 -4.873 -13.682 -0.912 641 HA GLU 82 HA GLU 82 -6.238 -13.213 0.817 642 HB2 GLU 82 HB2 GLU 82 -5.151 -15.287 1.747 643 HB3 GLU 82 HB1 GLU 82 -4.045 -14.240 2.625 644 HG2 GLU 82 HG2 GLU 82 -5.960 -13.220 3.777 645 HG3 GLU 82 HG1 GLU 82 -7.039 -14.325 2.928 646 H ILE 83 HN ILE 83 -5.690 -11.011 0.081 647 HA ILE 83 HA ILE 83 -3.989 -9.348 1.639 648 HB ILE 83 HB ILE 83 -6.298 -8.583 -0.126 649 HG12 ILE 83 HG12 ILE 83 -3.346 -8.925 -0.651 650 HG13 ILE 83 HG11 ILE 83 -4.676 -9.801 -1.404 651 HG21 ILE 83 HG21 ILE 83 -5.220 -6.379 -0.222 652 HG22 ILE 83 HG22 ILE 83 -4.008 -6.928 0.936 653 HG23 ILE 83 HG23 ILE 83 -5.698 -6.796 1.425 654 HD11 ILE 83 HD11 ILE 83 -3.746 -8.151 -2.909 655 HD12 ILE 83 HD12 ILE 83 -4.071 -6.884 -1.727 656 HD13 ILE 83 HD13 ILE 83 -5.409 -7.747 -2.484 657 H GLN 84 HN GLN 84 -4.473 -8.040 3.363 658 HA GLN 84 HA GLN 84 -6.942 -8.603 4.795 659 HB2 GLN 84 HB2 GLN 84 -4.562 -6.904 5.562 660 HB3 GLN 84 HB1 GLN 84 -5.895 -7.335 6.624 661 HG2 GLN 84 HG2 GLN 84 -5.284 -9.661 6.522 662 HG3 GLN 84 HG1 GLN 84 -4.023 -9.309 5.343 663 HE21 GLN 84 HE21 GLN 84 -3.263 -6.831 6.725 664 HE22 GLN 84 HE22 GLN 84 -2.364 -7.333 8.115 665 H ASP 85 HN ASP 85 -8.221 -6.813 5.687 666 HA ASP 85 HA ASP 85 -8.333 -4.571 3.786 667 HB2 ASP 85 HB2 ASP 85 -10.659 -4.393 4.190 668 HB3 ASP 85 HB1 ASP 85 -10.350 -6.116 4.022 669 H GLY 86 HN GLY 86 -8.693 -2.454 4.600 670 HA2 GLY 86 HA2 GLY 86 -8.463 -0.746 6.130 671 HA3 GLY 86 HA1 GLY 86 -8.486 -1.940 7.425 672 H THR 87 HN THR 87 -6.456 -3.372 7.460 673 HA THR 87 HA THR 87 -4.085 -1.681 7.085 674 HB THR 87 HB THR 87 -4.296 -4.320 8.523 675 HG1 THR 87 HG1 THR 87 -5.567 -2.483 9.426 676 HG21 THR 87 HG21 THR 87 -2.191 -2.158 8.620 677 HG22 THR 87 HG22 THR 87 -2.029 -3.723 7.823 678 HG23 THR 87 HG23 THR 87 -2.186 -3.638 9.578 679 H VAL 88 HN VAL 88 -2.903 -2.048 5.313 680 HA VAL 88 HA VAL 88 -3.015 -4.740 4.125 681 HB VAL 88 HB VAL 88 -2.597 -3.729 1.946 682 HG11 VAL 88 HG11 VAL 88 -4.767 -2.501 1.733 683 HG12 VAL 88 HG12 VAL 88 -4.908 -2.572 3.494 684 HG13 VAL 88 HG13 VAL 88 -4.884 -4.060 2.550 685 HG21 VAL 88 HG21 VAL 88 -1.311 -1.776 2.735 686 HG22 VAL 88 HG22 VAL 88 -2.804 -1.064 3.354 687 HG23 VAL 88 HG23 VAL 88 -2.602 -1.323 1.619 688 H ARG 89 HN ARG 89 -1.124 -5.798 3.819 689 HA ARG 89 HA ARG 89 1.230 -4.348 4.788 690 HB2 ARG 89 HB2 ARG 89 0.364 -6.405 6.046 691 HB3 ARG 89 HB1 ARG 89 0.975 -7.346 4.690 692 HG2 ARG 89 HG2 ARG 89 3.216 -6.508 5.082 693 HG3 ARG 89 HG1 ARG 89 2.624 -5.498 6.398 694 HD2 ARG 89 HD2 ARG 89 3.609 -7.429 7.360 695 HD3 ARG 89 HD1 ARG 89 1.865 -7.570 7.550 696 HE ARG 89 HE ARG 89 2.241 -8.962 5.311 697 HH11 ARG 89 HH11 ARG 89 3.944 -9.020 8.366 698 HH12 ARG 89 HH12 ARG 89 4.440 -10.675 8.209 699 HH21 ARG 89 HH21 ARG 89 2.880 -11.157 5.105 700 HH22 ARG 89 HH22 ARG 89 3.821 -11.896 6.361 701 H ILE 90 HN ILE 90 2.874 -4.009 3.551 702 HA ILE 90 HA ILE 90 3.074 -5.434 0.977 703 HB ILE 90 HB ILE 90 4.070 -2.673 1.724 704 HG12 ILE 90 HG12 ILE 90 1.829 -3.527 -0.120 705 HG13 ILE 90 HG11 ILE 90 1.637 -2.758 1.452 706 HG21 ILE 90 HG21 ILE 90 4.196 -4.112 -0.920 707 HG22 ILE 90 HG22 ILE 90 5.561 -3.760 0.139 708 HG23 ILE 90 HG23 ILE 90 4.681 -2.440 -0.633 709 HD11 ILE 90 HD11 ILE 90 1.311 -1.178 -0.362 710 HD12 ILE 90 HD12 ILE 90 2.934 -1.520 -0.963 711 HD13 ILE 90 HD13 ILE 90 2.719 -0.749 0.609 712 H GLU 91 HN GLU 91 4.989 -6.487 0.546 713 HA GLU 91 HA GLU 91 6.922 -6.521 2.740 714 HB2 GLU 91 HB2 GLU 91 6.474 -8.426 0.444 715 HB3 GLU 91 HB1 GLU 91 7.812 -8.565 1.578 716 HG2 GLU 91 HG2 GLU 91 6.140 -8.703 3.420 717 HG3 GLU 91 HG1 GLU 91 4.876 -8.762 2.194 718 H VAL 92 HN VAL 92 8.858 -5.691 2.586 719 HA VAL 92 HA VAL 92 9.655 -4.499 0.022 720 HB VAL 92 HB VAL 92 10.695 -3.892 2.799 721 HG11 VAL 92 HG11 VAL 92 12.324 -3.390 1.075 722 HG12 VAL 92 HG12 VAL 92 11.663 -1.895 1.739 723 HG13 VAL 92 HG13 VAL 92 11.114 -2.479 0.167 724 HG21 VAL 92 HG21 VAL 92 8.692 -2.393 1.113 725 HG22 VAL 92 HG22 VAL 92 9.399 -1.804 2.617 726 HG23 VAL 92 HG23 VAL 92 8.368 -3.237 2.629 727 H LEU 93 HN LEU 93 11.269 -5.395 -1.071 728 HA LEU 93 HA LEU 93 13.115 -7.180 0.364 729 HB2 LEU 93 HB2 LEU 93 11.863 -8.261 -1.442 730 HB3 LEU 93 HB1 LEU 93 12.430 -7.051 -2.575 731 HG LEU 93 HG LEU 93 14.734 -7.852 -2.292 732 HD11 LEU 93 HD11 LEU 93 14.632 -8.654 -0.019 733 HD12 LEU 93 HD12 LEU 93 15.129 -9.965 -1.088 734 HD13 LEU 93 HD13 LEU 93 13.479 -9.905 -0.481 735 HD21 LEU 93 HD21 LEU 93 14.461 -10.000 -3.426 736 HD22 LEU 93 HD22 LEU 93 13.356 -8.785 -4.065 737 HD23 LEU 93 HD23 LEU 93 12.758 -10.026 -2.965 738 H GLU 94 HN GLU 94 14.743 -5.920 1.019 739 HA GLU 94 HA GLU 94 15.679 -3.721 -0.628 740 HB2 GLU 94 HB2 GLU 94 16.630 -4.644 2.081 741 HB3 GLU 94 HB1 GLU 94 17.013 -3.113 1.307 742 HG2 GLU 94 HG2 GLU 94 14.650 -2.486 1.401 743 HG3 GLU 94 HG1 GLU 94 14.286 -4.016 2.200 744 H GLY 95 HN GLY 95 16.129 -6.404 -1.608 745 HA2 GLY 95 HA2 GLY 95 17.877 -7.238 -2.915 746 HA3 GLY 95 HA1 GLY 95 18.994 -6.194 -2.046 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -29.539 13.407 -10.076 2 H2 MET 1 HT2 MET 1 -29.148 14.173 -8.622 3 H3 MET 1 HT3 MET 1 -30.288 12.927 -8.639 4 HA MET 1 HA MET 1 -28.590 11.356 -9.322 5 HB2 MET 1 HB2 MET 1 -26.846 13.802 -9.064 6 HB3 MET 1 HB1 MET 1 -26.194 12.172 -9.009 7 HG2 MET 1 HG2 MET 1 -27.754 13.332 -11.305 8 HG3 MET 1 HG1 MET 1 -25.997 13.232 -11.220 9 HE1 MET 1 HE1 MET 1 -24.650 10.960 -11.149 10 HE2 MET 1 HE2 MET 1 -25.393 9.365 -11.245 11 HE3 MET 1 HE3 MET 1 -25.610 10.352 -9.801 12 H ALA 2 HN ALA 2 -28.543 10.056 -7.632 13 HA ALA 2 HA ALA 2 -28.588 11.103 -4.947 14 HB1 ALA 2 HB1 ALA 2 -28.831 8.777 -4.260 15 HB2 ALA 2 HB2 ALA 2 -28.492 8.244 -5.906 16 HB3 ALA 2 HB3 ALA 2 -29.957 9.164 -5.561 17 H HIS 3 HN HIS 3 -26.716 11.911 -4.256 18 HA HIS 3 HA HIS 3 -24.244 10.411 -4.774 19 HB2 HIS 3 HB2 HIS 3 -23.092 12.559 -4.137 20 HB3 HIS 3 HB1 HIS 3 -24.075 12.655 -5.591 21 HD1 HIS 3 HD1 HIS 3 -25.896 14.384 -5.638 22 HD2 HIS 3 HD2 HIS 3 -24.250 13.892 -1.854 23 HE1 HIS 3 HE1 HIS 3 -26.862 16.234 -4.233 24 HE2 HIS 3 HE2 HIS 3 -25.724 16.007 -1.994 25 H HIS 4 HN HIS 4 -25.914 9.395 -2.822 26 HA HIS 4 HA HIS 4 -25.330 10.314 -0.215 27 HB2 HIS 4 HB2 HIS 4 -27.256 8.841 -0.750 28 HB3 HIS 4 HB1 HIS 4 -26.134 7.528 -1.090 29 HD1 HIS 4 HD1 HIS 4 -25.786 5.984 0.812 30 HD2 HIS 4 HD2 HIS 4 -26.894 9.781 2.088 31 HE1 HIS 4 HE1 HIS 4 -25.963 5.830 3.309 32 HE2 HIS 4 HE2 HIS 4 -26.822 8.081 4.037 33 H HIS 5 HN HIS 5 -23.546 10.147 0.935 34 HA HIS 5 HA HIS 5 -21.169 9.051 -0.037 35 HB2 HIS 5 HB2 HIS 5 -21.201 10.828 1.647 36 HB3 HIS 5 HB1 HIS 5 -21.926 9.732 2.816 37 HD1 HIS 5 HD1 HIS 5 -18.673 10.370 1.014 38 HD2 HIS 5 HD2 HIS 5 -20.153 8.121 4.181 39 HE1 HIS 5 HE1 HIS 5 -16.654 9.393 2.151 40 HE2 HIS 5 HE2 HIS 5 -17.583 7.933 3.984 41 H HIS 6 HN HIS 6 -20.375 7.091 -0.059 42 HA HIS 6 HA HIS 6 -21.784 4.942 1.342 43 HB2 HIS 6 HB2 HIS 6 -19.588 4.742 -0.737 44 HB3 HIS 6 HB1 HIS 6 -20.603 3.431 -0.153 45 HD1 HIS 6 HD1 HIS 6 -20.353 5.912 -2.783 46 HD2 HIS 6 HD2 HIS 6 -23.402 3.738 -0.988 47 HE1 HIS 6 HE1 HIS 6 -22.301 6.053 -4.365 48 HE2 HIS 6 HE2 HIS 6 -24.079 4.601 -3.331 49 H HIS 7 HN HIS 7 -20.632 3.453 2.671 50 HA HIS 7 HA HIS 7 -18.450 4.508 4.152 51 HB2 HIS 7 HB2 HIS 7 -20.024 2.861 5.117 52 HB3 HIS 7 HB1 HIS 7 -19.427 1.641 4.000 53 HD1 HIS 7 HD1 HIS 7 -18.013 0.052 5.262 54 HD2 HIS 7 HD2 HIS 7 -17.454 3.967 6.545 55 HE1 HIS 7 HE1 HIS 7 -16.221 -0.061 7.020 56 HE2 HIS 7 HE2 HIS 7 -16.014 2.292 7.891 57 H HIS 8 HN HIS 8 -18.754 2.513 1.341 58 HA HIS 8 HA HIS 8 -15.912 2.010 1.133 59 HB2 HIS 8 HB2 HIS 8 -18.122 1.687 -0.922 60 HB3 HIS 8 HB1 HIS 8 -16.468 1.121 -1.105 61 HD1 HIS 8 HD1 HIS 8 -19.149 -0.643 -1.091 62 HD2 HIS 8 HD2 HIS 8 -16.376 -0.268 1.983 63 HE1 HIS 8 HE1 HIS 8 -19.380 -2.730 0.290 64 HE2 HIS 8 HE2 HIS 8 -17.610 -2.537 2.065 65 H VAL 9 HN VAL 9 -15.048 4.112 1.242 66 HA VAL 9 HA VAL 9 -16.038 6.271 -0.305 67 HB VAL 9 HB VAL 9 -13.306 6.001 0.943 68 HG11 VAL 9 HG11 VAL 9 -13.269 8.435 0.907 69 HG12 VAL 9 HG12 VAL 9 -14.854 8.457 0.131 70 HG13 VAL 9 HG13 VAL 9 -13.464 7.792 -0.726 71 HG21 VAL 9 HG21 VAL 9 -15.017 5.674 2.615 72 HG22 VAL 9 HG22 VAL 9 -15.864 7.122 2.067 73 HG23 VAL 9 HG23 VAL 9 -14.276 7.263 2.823 74 H ASP 10 HN ASP 10 -15.955 6.408 -2.401 75 HA ASP 10 HA ASP 10 -15.335 6.257 -4.569 76 HB2 ASP 10 HB2 ASP 10 -13.579 7.830 -3.677 77 HB3 ASP 10 HB1 ASP 10 -12.499 6.446 -3.544 78 H ASP 11 HN ASP 11 -16.121 4.016 -4.347 79 HA ASP 11 HA ASP 11 -14.020 1.983 -4.394 80 HB2 ASP 11 HB2 ASP 11 -15.758 0.370 -4.011 81 HB3 ASP 11 HB1 ASP 11 -16.012 1.709 -2.898 82 H ASP 12 HN ASP 12 -13.891 0.448 -6.032 83 HA ASP 12 HA ASP 12 -15.192 1.185 -8.566 84 HB2 ASP 12 HB2 ASP 12 -12.501 -0.101 -8.061 85 HB3 ASP 12 HB1 ASP 12 -13.267 -0.076 -9.645 86 H ASP 13 HN ASP 13 -15.854 -0.595 -9.933 87 HA ASP 13 HA ASP 13 -17.328 -2.518 -8.568 88 HB2 ASP 13 HB2 ASP 13 -16.411 -2.453 -11.445 89 HB3 ASP 13 HB1 ASP 13 -17.521 -3.663 -10.818 90 H LYS 14 HN LYS 14 -14.681 -3.366 -10.778 91 HA LYS 14 HA LYS 14 -13.246 -4.861 -8.834 92 HB2 LYS 14 HB2 LYS 14 -15.263 -6.343 -9.371 93 HB3 LYS 14 HB1 LYS 14 -14.577 -6.525 -10.976 94 HG2 LYS 14 HG2 LYS 14 -12.812 -7.129 -8.674 95 HG3 LYS 14 HG1 LYS 14 -14.124 -8.257 -9.005 96 HD2 LYS 14 HD2 LYS 14 -12.097 -7.358 -11.051 97 HD3 LYS 14 HD1 LYS 14 -11.961 -8.842 -10.103 98 HE2 LYS 14 HE2 LYS 14 -14.100 -9.615 -11.041 99 HE3 LYS 14 HE1 LYS 14 -14.199 -8.144 -12.005 100 HZ1 LYS 14 HZ1 LYS 14 -12.068 -10.201 -12.215 101 HZ2 LYS 14 HZ2 LYS 14 -12.178 -8.797 -13.148 102 HZ3 LYS 14 HZ3 LYS 14 -13.356 -10.001 -13.293 103 H MET 15 HN MET 15 -11.883 -3.203 -9.853 104 HA MET 15 HA MET 15 -10.937 -3.896 -12.533 105 HB2 MET 15 HB2 MET 15 -11.538 -1.549 -12.126 106 HB3 MET 15 HB1 MET 15 -10.370 -1.471 -10.814 107 HG2 MET 15 HG2 MET 15 -8.545 -1.739 -12.337 108 HG3 MET 15 HG1 MET 15 -9.648 -2.046 -13.678 109 HE1 MET 15 HE1 MET 15 -10.219 0.626 -10.864 110 HE2 MET 15 HE2 MET 15 -9.398 2.034 -11.535 111 HE3 MET 15 HE3 MET 15 -8.465 0.623 -11.038 112 H GLY 16 HN GLY 16 -9.685 -5.667 -12.173 113 HA2 GLY 16 HA2 GLY 16 -7.605 -6.647 -11.778 114 HA3 GLY 16 HA1 GLY 16 -7.140 -5.230 -10.843 115 H GLY 17 HN GLY 17 -9.989 -5.776 -9.619 116 HA2 GLY 17 HA2 GLY 17 -10.357 -7.951 -8.183 117 HA3 GLY 17 HA1 GLY 17 -8.928 -7.311 -7.381 118 HA PRO 18 HA PRO 18 -13.111 -5.363 -5.918 119 HB2 PRO 18 HB2 PRO 18 -13.083 -6.598 -3.440 120 HB3 PRO 18 HB1 PRO 18 -14.065 -7.107 -4.815 121 HG2 PRO 18 HG2 PRO 18 -11.470 -8.192 -3.831 122 HG3 PRO 18 HG1 PRO 18 -12.864 -9.052 -4.505 123 HD2 PRO 18 HD2 PRO 18 -10.638 -8.599 -5.943 124 HD3 PRO 18 HD1 PRO 18 -12.251 -8.593 -6.685 125 H THR 19 HN THR 19 -13.025 -3.535 -4.733 126 HA THR 19 HA THR 19 -10.436 -2.576 -4.039 127 HB THR 19 HB THR 19 -11.692 -0.513 -3.352 128 HG1 THR 19 HG1 THR 19 -13.731 -1.026 -2.846 129 HG21 THR 19 HG21 THR 19 -10.820 -0.825 -5.618 130 HG22 THR 19 HG22 THR 19 -12.320 0.097 -5.619 131 HG23 THR 19 HG23 THR 19 -12.330 -1.604 -6.088 132 H VAL 20 HN VAL 20 -9.548 -2.120 -2.111 133 HA VAL 20 HA VAL 20 -10.927 -3.161 0.267 134 HB VAL 20 HB VAL 20 -7.997 -2.712 -0.082 135 HG11 VAL 20 HG11 VAL 20 -7.772 -4.103 1.918 136 HG12 VAL 20 HG12 VAL 20 -9.529 -4.208 2.027 137 HG13 VAL 20 HG13 VAL 20 -8.724 -2.652 2.230 138 HG21 VAL 20 HG21 VAL 20 -8.708 -4.433 -1.631 139 HG22 VAL 20 HG22 VAL 20 -9.539 -5.280 -0.326 140 HG23 VAL 20 HG23 VAL 20 -7.781 -5.145 -0.311 141 H LEU 21 HN LEU 21 -11.548 -1.712 1.766 142 HA LEU 21 HA LEU 21 -10.797 1.042 1.592 143 HB2 LEU 21 HB2 LEU 21 -12.966 0.343 2.518 144 HB3 LEU 21 HB1 LEU 21 -12.139 -0.463 3.836 145 HG LEU 21 HG LEU 21 -11.176 1.829 4.424 146 HD11 LEU 21 HD11 LEU 21 -12.484 3.754 3.701 147 HD12 LEU 21 HD12 LEU 21 -13.435 2.716 2.639 148 HD13 LEU 21 HD13 LEU 21 -11.715 2.950 2.332 149 HD21 LEU 21 HD21 LEU 21 -14.136 1.363 4.690 150 HD22 LEU 21 HD22 LEU 21 -13.155 2.430 5.696 151 HD23 LEU 21 HD23 LEU 21 -12.881 0.687 5.729 152 H VAL 22 HN VAL 22 -8.646 1.221 1.760 153 HA VAL 22 HA VAL 22 -7.087 -0.261 3.614 154 HB VAL 22 HB VAL 22 -6.353 2.169 1.980 155 HG11 VAL 22 HG11 VAL 22 -4.044 1.581 2.392 156 HG12 VAL 22 HG12 VAL 22 -4.538 0.176 3.338 157 HG13 VAL 22 HG13 VAL 22 -4.871 1.802 3.935 158 HG21 VAL 22 HG21 VAL 22 -7.025 0.297 0.602 159 HG22 VAL 22 HG22 VAL 22 -5.921 -0.767 1.472 160 HG23 VAL 22 HG23 VAL 22 -5.284 0.547 0.486 161 H LYS 23 HN LYS 23 -6.779 0.108 5.662 162 HA LYS 23 HA LYS 23 -7.600 2.569 6.924 163 HB2 LYS 23 HB2 LYS 23 -6.229 0.129 8.030 164 HB3 LYS 23 HB1 LYS 23 -6.777 1.491 8.999 165 HG2 LYS 23 HG2 LYS 23 -8.291 -0.725 7.820 166 HG3 LYS 23 HG1 LYS 23 -8.575 0.219 9.270 167 HD2 LYS 23 HD2 LYS 23 -9.443 2.057 7.903 168 HD3 LYS 23 HD1 LYS 23 -9.201 1.067 6.462 169 HE2 LYS 23 HE2 LYS 23 -11.528 1.013 7.218 170 HE3 LYS 23 HE1 LYS 23 -10.775 -0.579 7.293 171 HZ1 LYS 23 HZ1 LYS 23 -10.482 -0.314 9.658 172 HZ2 LYS 23 HZ2 LYS 23 -12.108 -0.077 9.263 173 HZ3 LYS 23 HZ3 LYS 23 -11.119 1.251 9.607 174 H ARG 24 HN ARG 24 -4.654 0.865 6.146 175 HA ARG 24 HA ARG 24 -3.039 3.152 5.901 176 HB2 ARG 24 HB2 ARG 24 -1.519 2.751 7.818 177 HB3 ARG 24 HB1 ARG 24 -3.129 3.234 8.337 178 HG2 ARG 24 HG2 ARG 24 -3.682 0.935 8.864 179 HG3 ARG 24 HG1 ARG 24 -2.108 0.403 8.272 180 HD2 ARG 24 HD2 ARG 24 -2.242 0.588 10.743 181 HD3 ARG 24 HD1 ARG 24 -0.982 1.584 10.019 182 HE ARG 24 HE ARG 24 -3.000 3.325 10.177 183 HH11 ARG 24 HH11 ARG 24 -1.715 1.085 12.537 184 HH12 ARG 24 HH12 ARG 24 -2.155 2.069 13.895 185 HH21 ARG 24 HH21 ARG 24 -3.587 4.618 11.951 186 HH22 ARG 24 HH22 ARG 24 -3.227 4.084 13.563 187 H PHE 25 HN PHE 25 -0.697 2.472 5.692 188 HA PHE 25 HA PHE 25 -0.601 -0.197 4.471 189 HB2 PHE 25 HB2 PHE 25 0.987 2.318 3.960 190 HB3 PHE 25 HB1 PHE 25 1.479 0.746 3.336 191 HD1 PHE 25 HD1 PHE 25 -1.432 3.067 3.385 192 HD2 PHE 25 HD2 PHE 25 0.692 0.030 1.307 193 HE1 PHE 25 HE1 PHE 25 -2.927 3.347 1.458 194 HE2 PHE 25 HE2 PHE 25 -0.794 0.309 -0.629 195 HZ PHE 25 HZ PHE 25 -2.612 1.969 -0.560 196 H GLN 26 HN GLN 26 0.539 -1.699 5.371 197 HA GLN 26 HA GLN 26 2.399 -1.012 7.548 198 HB2 GLN 26 HB2 GLN 26 0.411 -2.536 7.978 199 HB3 GLN 26 HB1 GLN 26 1.170 -3.703 6.910 200 HG2 GLN 26 HG2 GLN 26 1.815 -4.451 8.978 201 HG3 GLN 26 HG1 GLN 26 3.200 -3.467 8.505 202 HE21 GLN 26 HE21 GLN 26 3.554 -1.482 9.546 203 HE22 GLN 26 HE22 GLN 26 2.757 -1.086 11.035 204 H LEU 27 HN LEU 27 4.544 -1.375 7.221 205 HA LEU 27 HA LEU 27 5.268 -2.723 4.707 206 HB2 LEU 27 HB2 LEU 27 6.714 -0.698 6.403 207 HB3 LEU 27 HB1 LEU 27 7.519 -1.603 5.139 208 HG LEU 27 HG LEU 27 6.959 0.551 4.283 209 HD11 LEU 27 HD11 LEU 27 5.115 -1.559 3.205 210 HD12 LEU 27 HD12 LEU 27 6.765 -1.215 2.684 211 HD13 LEU 27 HD13 LEU 27 5.483 -0.040 2.396 212 HD21 LEU 27 HD21 LEU 27 4.106 -0.014 5.071 213 HD22 LEU 27 HD22 LEU 27 4.665 1.385 4.153 214 HD23 LEU 27 HD23 LEU 27 5.180 1.163 5.824 215 H SER 28 HN SER 28 6.502 -4.480 4.672 216 HA SER 28 HA SER 28 7.558 -5.468 7.234 217 HB2 SER 28 HB2 SER 28 5.443 -6.618 6.612 218 HB3 SER 28 HB1 SER 28 6.184 -7.119 5.095 219 HG SER 28 HG SER 28 7.589 -8.415 6.201 220 H GLY 29 HN GLY 29 9.613 -6.251 7.149 221 HA2 GLY 29 HA2 GLY 29 11.493 -7.248 6.147 222 HA3 GLY 29 HA1 GLY 29 10.760 -6.997 4.571 223 H ASN 30 HN ASN 30 10.269 -4.140 5.790 224 HA ASN 30 HA ASN 30 12.518 -2.930 4.498 225 HB2 ASN 30 HB2 ASN 30 11.476 -0.792 5.263 226 HB3 ASN 30 HB1 ASN 30 10.375 -1.819 4.352 227 HD21 ASN 30 HD21 ASN 30 9.954 0.315 6.386 228 HD22 ASN 30 HD22 ASN 30 8.928 -0.407 7.582 229 H ARG 31 HN ARG 31 14.304 -2.022 5.378 230 HA ARG 31 HA ARG 31 14.458 -1.930 8.322 231 HB2 ARG 31 HB2 ARG 31 15.752 -3.832 7.673 232 HB3 ARG 31 HB1 ARG 31 16.533 -2.936 6.379 233 HG2 ARG 31 HG2 ARG 31 18.026 -3.280 8.277 234 HG3 ARG 31 HG1 ARG 31 17.710 -1.569 7.999 235 HD2 ARG 31 HD2 ARG 31 16.041 -1.597 9.799 236 HD3 ARG 31 HD1 ARG 31 16.394 -3.300 10.086 237 HE ARG 31 HE ARG 31 18.814 -2.063 10.305 238 HH11 ARG 31 HH11 ARG 31 15.701 -1.630 11.839 239 HH12 ARG 31 HH12 ARG 31 16.376 -1.077 13.338 240 HH21 ARG 31 HH21 ARG 31 19.710 -1.328 12.273 241 HH22 ARG 31 HH22 ARG 31 18.656 -0.892 13.580 242 H GLN 32 HN GLN 32 15.754 -0.689 5.261 243 HA GLN 32 HA GLN 32 17.301 1.375 6.415 244 HB2 GLN 32 HB2 GLN 32 17.466 0.450 4.059 245 HB3 GLN 32 HB1 GLN 32 16.054 1.417 3.668 246 HG2 GLN 32 HG2 GLN 32 18.158 2.492 3.014 247 HG3 GLN 32 HG1 GLN 32 17.237 3.442 4.179 248 HE21 GLN 32 HE21 GLN 32 18.051 3.772 6.223 249 HE22 GLN 32 HE22 GLN 32 19.668 3.348 6.670 250 H PHE 33 HN PHE 33 13.991 1.271 5.204 251 HA PHE 33 HA PHE 33 13.505 3.833 6.565 252 HB2 PHE 33 HB2 PHE 33 12.089 2.893 4.058 253 HB3 PHE 33 HB1 PHE 33 11.906 4.448 4.863 254 HD1 PHE 33 HD2 PHE 33 13.762 6.091 4.821 255 HD2 PHE 33 HD1 PHE 33 13.850 2.508 2.527 256 HE1 PHE 33 HE2 PHE 33 15.537 7.040 3.410 257 HE2 PHE 33 HE1 PHE 33 15.620 3.455 1.113 258 HZ PHE 33 HZ PHE 33 16.485 5.715 1.572 259 H ASP 34 HN ASP 34 11.809 3.799 7.992 260 HA ASP 34 HA ASP 34 10.561 1.203 8.384 261 HB2 ASP 34 HB2 ASP 34 9.895 1.937 10.541 262 HB3 ASP 34 HB1 ASP 34 11.531 2.536 10.307 263 H ASP 35 HN ASP 35 8.176 1.491 9.314 264 HA ASP 35 HA ASP 35 6.516 1.695 7.151 265 HB2 ASP 35 HB2 ASP 35 5.889 2.104 10.068 266 HB3 ASP 35 HB1 ASP 35 4.647 2.036 8.831 267 H ARG 36 HN ARG 36 7.190 4.223 9.533 268 HA ARG 36 HA ARG 36 5.212 6.038 8.807 269 HB2 ARG 36 HB2 ARG 36 7.958 6.608 9.908 270 HB3 ARG 36 HB1 ARG 36 6.604 7.730 9.910 271 HG2 ARG 36 HG2 ARG 36 5.385 6.396 11.437 272 HG3 ARG 36 HG1 ARG 36 6.513 5.047 11.258 273 HD2 ARG 36 HD2 ARG 36 7.104 7.739 12.468 274 HD3 ARG 36 HD1 ARG 36 6.931 6.215 13.337 275 HE ARG 36 HE ARG 36 8.910 5.734 11.512 276 HH11 ARG 36 HH11 ARG 36 8.426 8.043 14.097 277 HH12 ARG 36 HH12 ARG 36 10.121 8.289 14.368 278 HH21 ARG 36 HH21 ARG 36 11.133 6.062 11.845 279 HH22 ARG 36 HH22 ARG 36 11.670 7.166 13.077 280 H ARG 37 HN ARG 37 8.430 5.558 7.465 281 HA ARG 37 HA ARG 37 8.326 7.967 5.907 282 HB2 ARG 37 HB2 ARG 37 10.478 7.107 6.690 283 HB3 ARG 37 HB1 ARG 37 10.238 5.627 5.772 284 HG2 ARG 37 HG2 ARG 37 11.777 7.162 4.651 285 HG3 ARG 37 HG1 ARG 37 10.325 6.870 3.689 286 HD2 ARG 37 HD2 ARG 37 9.377 8.984 4.631 287 HD3 ARG 37 HD1 ARG 37 10.943 9.293 5.373 288 HE ARG 37 HE ARG 37 11.863 9.640 3.227 289 HH11 ARG 37 HH11 ARG 37 8.422 8.961 3.099 290 HH12 ARG 37 HH12 ARG 37 8.197 9.768 1.578 291 HH21 ARG 37 HH21 ARG 37 11.544 10.710 1.222 292 HH22 ARG 37 HH22 ARG 37 9.960 10.743 0.511 293 H LEU 38 HN LEU 38 7.728 4.548 5.352 294 HA LEU 38 HA LEU 38 7.600 4.906 2.498 295 HB2 LEU 38 HB2 LEU 38 7.233 2.560 4.313 296 HB3 LEU 38 HB1 LEU 38 6.752 2.465 2.634 297 HG LEU 38 HG LEU 38 8.834 1.977 2.025 298 HD11 LEU 38 HD11 LEU 38 9.718 4.433 3.517 299 HD12 LEU 38 HD12 LEU 38 9.356 4.304 1.795 300 HD13 LEU 38 HD13 LEU 38 10.749 3.460 2.469 301 HD21 LEU 38 HD21 LEU 38 8.919 0.784 4.124 302 HD22 LEU 38 HD22 LEU 38 9.515 2.229 4.942 303 HD23 LEU 38 HD23 LEU 38 10.505 1.436 3.715 304 H LEU 39 HN LEU 39 5.282 4.646 5.138 305 HA LEU 39 HA LEU 39 3.030 4.207 3.461 306 HB2 LEU 39 HB2 LEU 39 1.660 4.801 5.399 307 HB3 LEU 39 HB1 LEU 39 2.897 3.634 5.800 308 HG LEU 39 HG LEU 39 4.230 5.679 6.679 309 HD11 LEU 39 HD11 LEU 39 2.773 7.411 5.751 310 HD12 LEU 39 HD12 LEU 39 2.853 7.508 7.511 311 HD13 LEU 39 HD13 LEU 39 1.434 6.811 6.730 312 HD21 LEU 39 HD21 LEU 39 3.387 3.924 8.106 313 HD22 LEU 39 HD22 LEU 39 1.771 4.630 8.071 314 HD23 LEU 39 HD23 LEU 39 3.092 5.493 8.859 315 H ALA 40 HN ALA 40 4.893 6.977 4.134 316 HA ALA 40 HA ALA 40 2.934 8.951 3.555 317 HB1 ALA 40 HB1 ALA 40 5.042 9.452 4.730 318 HB2 ALA 40 HB2 ALA 40 4.800 10.482 3.319 319 HB3 ALA 40 HB3 ALA 40 5.930 9.129 3.241 320 H LEU 41 HN LEU 41 4.869 6.838 1.612 321 HA LEU 41 HA LEU 41 4.615 8.206 -0.863 322 HB2 LEU 41 HB2 LEU 41 5.088 5.318 -0.147 323 HB3 LEU 41 HB1 LEU 41 4.961 5.852 -1.813 324 HG LEU 41 HG LEU 41 6.893 7.404 -0.248 325 HD11 LEU 41 HD11 LEU 41 8.528 5.752 0.058 326 HD12 LEU 41 HD12 LEU 41 7.637 4.574 -0.898 327 HD13 LEU 41 HD13 LEU 41 7.051 5.031 0.700 328 HD21 LEU 41 HD21 LEU 41 7.120 5.826 -2.809 329 HD22 LEU 41 HD22 LEU 41 8.231 7.073 -2.233 330 HD23 LEU 41 HD23 LEU 41 6.586 7.504 -2.702 331 H LEU 42 HN LEU 42 2.472 6.358 1.066 332 HA LEU 42 HA LEU 42 0.543 6.187 -1.150 333 HB2 LEU 42 HB2 LEU 42 0.562 4.623 1.431 334 HB3 LEU 42 HB1 LEU 42 -0.597 4.448 0.133 335 HG LEU 42 HG LEU 42 0.714 2.664 -0.327 336 HD11 LEU 42 HD11 LEU 42 2.306 4.848 -1.641 337 HD12 LEU 42 HD12 LEU 42 0.855 4.079 -2.285 338 HD13 LEU 42 HD13 LEU 42 2.334 3.139 -2.080 339 HD21 LEU 42 HD21 LEU 42 2.170 2.943 1.584 340 HD22 LEU 42 HD22 LEU 42 3.109 4.158 0.713 341 HD23 LEU 42 HD23 LEU 42 3.089 2.486 0.152 342 H HIS 43 HN HIS 43 1.260 8.346 0.936 343 HA HIS 43 HA HIS 43 -0.600 8.560 2.943 344 HB2 HIS 43 HB2 HIS 43 0.022 10.823 3.175 345 HB3 HIS 43 HB1 HIS 43 1.434 10.016 2.516 346 HD1 HIS 43 HD1 HIS 43 -0.674 12.896 2.008 347 HD2 HIS 43 HD2 HIS 43 1.666 10.461 -0.416 348 HE1 HIS 43 HE1 HIS 43 -0.281 14.212 -0.096 349 HE2 HIS 43 HE2 HIS 43 1.278 12.791 -1.466 350 H ASP 44 HN ASP 44 -1.254 8.983 -0.422 351 HA ASP 44 HA ASP 44 -3.633 10.600 0.103 352 HB2 ASP 44 HB2 ASP 44 -3.759 10.927 -2.280 353 HB3 ASP 44 HB1 ASP 44 -2.095 11.192 -1.772 354 H LEU 45 HN LEU 45 -2.878 7.365 0.000 355 HA LEU 45 HA LEU 45 -5.141 6.537 -1.609 356 HB2 LEU 45 HB2 LEU 45 -3.005 4.923 -0.236 357 HB3 LEU 45 HB1 LEU 45 -4.284 4.237 -1.217 358 HG LEU 45 HG LEU 45 -2.114 6.107 -2.180 359 HD11 LEU 45 HD11 LEU 45 -1.325 4.179 -3.433 360 HD12 LEU 45 HD12 LEU 45 -2.605 3.187 -2.734 361 HD13 LEU 45 HD13 LEU 45 -1.333 3.841 -1.701 362 HD21 LEU 45 HD21 LEU 45 -4.383 4.791 -3.670 363 HD22 LEU 45 HD22 LEU 45 -3.024 5.622 -4.424 364 HD23 LEU 45 HD23 LEU 45 -4.151 6.519 -3.409 365 HA PRO 46 HA PRO 46 -6.396 4.133 2.275 366 HB2 PRO 46 HB2 PRO 46 -5.475 4.771 4.719 367 HB3 PRO 46 HB1 PRO 46 -4.620 3.674 3.640 368 HG2 PRO 46 HG2 PRO 46 -4.099 6.565 4.180 369 HG3 PRO 46 HG1 PRO 46 -2.950 5.223 4.014 370 HD2 PRO 46 HD2 PRO 46 -3.488 6.984 2.005 371 HD3 PRO 46 HD1 PRO 46 -2.991 5.306 1.723 372 H GLY 47 HN GLY 47 -8.072 4.445 3.850 373 HA2 GLY 47 HA2 GLY 47 -9.765 5.801 4.805 374 HA3 GLY 47 HA1 GLY 47 -9.064 7.203 3.999 375 H GLN 48 HN GLN 48 -8.784 5.298 1.623 376 HA GLN 48 HA GLN 48 -11.562 5.400 0.680 377 HB2 GLN 48 HB2 GLN 48 -9.001 5.830 -0.864 378 HB3 GLN 48 HB1 GLN 48 -10.583 5.653 -1.610 379 HG2 GLN 48 HG2 GLN 48 -11.367 7.652 -0.527 380 HG3 GLN 48 HG1 GLN 48 -9.851 7.798 0.355 381 HE21 GLN 48 HE21 GLN 48 -9.974 6.787 -2.980 382 HE22 GLN 48 HE22 GLN 48 -9.271 8.224 -3.640 383 H GLU 49 HN GLU 49 -11.835 3.862 -1.235 384 HA GLU 49 HA GLU 49 -10.695 1.282 -0.453 385 HB2 GLU 49 HB2 GLU 49 -13.026 1.985 -2.241 386 HB3 GLU 49 HB1 GLU 49 -12.446 0.349 -1.984 387 HG2 GLU 49 HG2 GLU 49 -12.803 1.306 0.568 388 HG3 GLU 49 HG1 GLU 49 -14.159 1.985 -0.336 389 H LEU 50 HN LEU 50 -8.872 0.801 -1.427 390 HA LEU 50 HA LEU 50 -8.422 1.675 -4.193 391 HB2 LEU 50 HB2 LEU 50 -6.497 0.554 -2.150 392 HB3 LEU 50 HB1 LEU 50 -6.062 1.031 -3.777 393 HG LEU 50 HG LEU 50 -5.349 2.798 -2.414 394 HD11 LEU 50 HD11 LEU 50 -6.548 3.561 -4.389 395 HD12 LEU 50 HD12 LEU 50 -6.719 4.698 -3.050 396 HD13 LEU 50 HD13 LEU 50 -8.049 3.616 -3.463 397 HD21 LEU 50 HD21 LEU 50 -6.457 2.218 -0.360 398 HD22 LEU 50 HD22 LEU 50 -8.022 2.679 -1.029 399 HD23 LEU 50 HD23 LEU 50 -6.787 3.907 -0.746 400 H ASN 51 HN ASN 51 -8.376 0.274 -5.828 401 HA ASN 51 HA ASN 51 -9.171 -2.442 -5.387 402 HB2 ASN 51 HB2 ASN 51 -9.011 -2.649 -7.861 403 HB3 ASN 51 HB1 ASN 51 -10.011 -1.296 -7.348 404 HD21 ASN 51 HD21 ASN 51 -9.365 0.774 -7.780 405 HD22 ASN 51 HD22 ASN 51 -8.023 1.149 -8.805 406 H LEU 52 HN LEU 52 -7.991 -4.287 -6.438 407 HA LEU 52 HA LEU 52 -5.563 -4.672 -5.184 408 HB2 LEU 52 HB2 LEU 52 -6.984 -6.055 -7.399 409 HB3 LEU 52 HB1 LEU 52 -5.304 -6.468 -7.132 410 HG LEU 52 HG LEU 52 -6.851 -8.022 -6.007 411 HD11 LEU 52 HD11 LEU 52 -5.185 -6.350 -4.138 412 HD12 LEU 52 HD12 LEU 52 -4.626 -7.714 -5.101 413 HD13 LEU 52 HD13 LEU 52 -5.791 -7.970 -3.802 414 HD21 LEU 52 HD21 LEU 52 -7.635 -5.619 -4.364 415 HD22 LEU 52 HD22 LEU 52 -8.110 -7.286 -4.045 416 HD23 LEU 52 HD23 LEU 52 -8.666 -6.476 -5.509 417 H SER 53 HN SER 53 -6.136 -3.653 -8.529 418 HA SER 53 HA SER 53 -3.509 -3.662 -9.445 419 HB2 SER 53 HB2 SER 53 -5.574 -1.592 -10.206 420 HB3 SER 53 HB1 SER 53 -4.273 -2.242 -11.202 421 HG SER 53 HG SER 53 -6.779 -3.232 -10.727 422 H GLN 54 HN GLN 54 -5.352 -1.036 -7.913 423 HA GLN 54 HA GLN 54 -3.190 0.790 -7.832 424 HB2 GLN 54 HB2 GLN 54 -5.910 0.653 -6.652 425 HB3 GLN 54 HB1 GLN 54 -4.772 1.759 -5.900 426 HG2 GLN 54 HG2 GLN 54 -4.367 2.741 -8.167 427 HG3 GLN 54 HG1 GLN 54 -5.687 1.739 -8.764 428 HE21 GLN 54 HE21 GLN 54 -7.247 2.009 -6.337 429 HE22 GLN 54 HE22 GLN 54 -7.894 3.608 -6.348 430 H LEU 55 HN LEU 55 -4.253 -1.746 -5.676 431 HA LEU 55 HA LEU 55 -2.702 -1.008 -3.430 432 HB2 LEU 55 HB2 LEU 55 -3.565 -3.760 -4.335 433 HB3 LEU 55 HB1 LEU 55 -2.909 -3.382 -2.757 434 HG LEU 55 HG LEU 55 -5.542 -2.429 -3.881 435 HD11 LEU 55 HD11 LEU 55 -4.872 -4.299 -1.614 436 HD12 LEU 55 HD12 LEU 55 -5.584 -4.741 -3.165 437 HD13 LEU 55 HD13 LEU 55 -6.489 -3.737 -2.035 438 HD21 LEU 55 HD21 LEU 55 -4.258 -1.826 -1.221 439 HD22 LEU 55 HD22 LEU 55 -5.912 -1.421 -1.680 440 HD23 LEU 55 HD23 LEU 55 -4.555 -0.674 -2.523 441 H HIS 56 HN HIS 56 -2.007 -3.052 -6.248 442 HA HIS 56 HA HIS 56 0.646 -3.686 -5.383 443 HB2 HIS 56 HB2 HIS 56 -0.713 -3.921 -8.067 444 HB3 HIS 56 HB1 HIS 56 0.966 -4.375 -7.810 445 HD1 HIS 56 HD1 HIS 56 1.424 -6.510 -6.411 446 HD2 HIS 56 HD2 HIS 56 -2.603 -5.716 -7.066 447 HE1 HIS 56 HE1 HIS 56 0.213 -8.619 -5.800 448 HE2 HIS 56 HE2 HIS 56 -2.183 -8.191 -6.437 449 H ALA 57 HN ALA 57 -0.790 -1.182 -7.379 450 HA ALA 57 HA ALA 57 1.588 -0.061 -8.394 451 HB1 ALA 57 HB1 ALA 57 0.256 1.930 -8.827 452 HB2 ALA 57 HB2 ALA 57 -1.021 1.320 -7.776 453 HB3 ALA 57 HB3 ALA 57 -0.636 0.477 -9.276 454 H ALA 58 HN ALA 58 -0.081 0.277 -5.352 455 HA ALA 58 HA ALA 58 1.278 2.492 -4.298 456 HB1 ALA 58 HB1 ALA 58 0.603 1.611 -2.114 457 HB2 ALA 58 HB2 ALA 58 0.181 0.073 -2.863 458 HB3 ALA 58 HB3 ALA 58 -0.722 1.531 -3.275 459 H ALA 59 HN ALA 59 2.051 -0.962 -4.269 460 HA ALA 59 HA ALA 59 4.371 -0.784 -2.671 461 HB1 ALA 59 HB1 ALA 59 3.191 -2.892 -3.062 462 HB2 ALA 59 HB2 ALA 59 4.893 -3.017 -3.506 463 HB3 ALA 59 HB3 ALA 59 3.665 -2.845 -4.759 464 H ALA 60 HN ALA 60 3.793 -0.428 -6.105 465 HA ALA 60 HA ALA 60 6.448 -0.530 -7.002 466 HB1 ALA 60 HB1 ALA 60 4.116 0.985 -8.170 467 HB2 ALA 60 HB2 ALA 60 4.541 -0.692 -8.513 468 HB3 ALA 60 HB3 ALA 60 5.623 0.610 -9.007 469 H ARG 61 HN ARG 61 4.513 2.112 -5.719 470 HA ARG 61 HA ARG 61 6.214 4.259 -6.273 471 HB2 ARG 61 HB2 ARG 61 4.470 3.813 -3.841 472 HB3 ARG 61 HB1 ARG 61 5.186 5.350 -4.299 473 HG2 ARG 61 HG2 ARG 61 3.862 5.422 -6.308 474 HG3 ARG 61 HG1 ARG 61 3.217 3.814 -5.972 475 HD2 ARG 61 HD2 ARG 61 2.181 4.636 -3.934 476 HD3 ARG 61 HD1 ARG 61 2.854 6.234 -4.218 477 HE ARG 61 HE ARG 61 1.205 5.278 -6.370 478 HH11 ARG 61 HH11 ARG 61 1.254 6.983 -3.305 479 HH12 ARG 61 HH12 ARG 61 -0.283 7.763 -3.567 480 HH21 ARG 61 HH21 ARG 61 -0.798 6.297 -6.723 481 HH22 ARG 61 HH22 ARG 61 -1.447 7.367 -5.519 482 H ILE 62 HN ILE 62 6.223 1.916 -3.656 483 HA ILE 62 HA ILE 62 8.326 3.230 -2.198 484 HB ILE 62 HB ILE 62 7.132 0.478 -1.847 485 HG12 ILE 62 HG12 ILE 62 6.563 3.068 -0.399 486 HG13 ILE 62 HG11 ILE 62 5.510 2.316 -1.590 487 HG21 ILE 62 HG21 ILE 62 8.094 0.586 0.425 488 HG22 ILE 62 HG22 ILE 62 8.908 2.091 -0.017 489 HG23 ILE 62 HG23 ILE 62 9.329 0.588 -0.837 490 HD11 ILE 62 HD11 ILE 62 5.129 0.449 -0.147 491 HD12 ILE 62 HD12 ILE 62 4.820 1.942 0.743 492 HD13 ILE 62 HD13 ILE 62 6.319 1.052 1.005 493 H GLY 63 HN GLY 63 8.010 0.517 -4.399 494 HA2 GLY 63 HA2 GLY 63 10.593 -0.542 -4.181 495 HA3 GLY 63 HA1 GLY 63 9.579 -0.622 -5.614 496 H ASP 64 HN ASP 64 9.344 1.973 -6.362 497 HA ASP 64 HA ASP 64 11.898 2.548 -7.496 498 HB2 ASP 64 HB2 ASP 64 9.210 3.858 -7.565 499 HB3 ASP 64 HB1 ASP 64 10.611 4.774 -8.102 500 H PHE 65 HN PHE 65 10.237 3.571 -4.637 501 HA PHE 65 HA PHE 65 11.616 5.942 -4.076 502 HB2 PHE 65 HB2 PHE 65 9.665 5.264 -2.775 503 HB3 PHE 65 HB1 PHE 65 10.527 3.853 -2.170 504 HD1 PHE 65 HD1 PHE 65 10.477 7.552 -2.123 505 HD2 PHE 65 HD2 PHE 65 11.879 3.989 -0.270 506 HE1 PHE 65 HE1 PHE 65 11.275 8.869 -0.206 507 HE2 PHE 65 HE2 PHE 65 12.680 5.300 1.651 508 HZ PHE 65 HZ PHE 65 12.404 7.744 1.670 509 H TYR 66 HN TYR 66 12.316 2.601 -3.125 510 HA TYR 66 HA TYR 66 14.789 3.097 -1.889 511 HB2 TYR 66 HB2 TYR 66 13.401 0.720 -3.009 512 HB3 TYR 66 HB1 TYR 66 15.135 0.587 -2.752 513 HD1 TYR 66 HD2 TYR 66 12.028 1.636 -0.946 514 HD2 TYR 66 HD1 TYR 66 15.912 -0.080 -0.708 515 HE1 TYR 66 HE2 TYR 66 11.653 1.135 1.428 516 HE2 TYR 66 HE1 TYR 66 15.559 -0.582 1.660 517 HH TYR 66 HH TYR 66 14.228 -0.336 3.415 518 H GLN 67 HN GLN 67 13.948 2.320 -5.235 519 HA GLN 67 HA GLN 67 16.556 2.056 -6.226 520 HB2 GLN 67 HB2 GLN 67 14.043 2.969 -7.632 521 HB3 GLN 67 HB1 GLN 67 15.541 2.538 -8.446 522 HG2 GLN 67 HG2 GLN 67 15.364 0.274 -7.471 523 HG3 GLN 67 HG1 GLN 67 13.807 0.726 -6.787 524 HE21 GLN 67 HE21 GLN 67 15.566 0.047 -9.705 525 HE22 GLN 67 HE22 GLN 67 14.191 -0.170 -10.724 526 H GLU 68 HN GLU 68 14.521 4.901 -5.767 527 HA GLU 68 HA GLU 68 16.162 6.789 -7.054 528 HB2 GLU 68 HB2 GLU 68 13.879 7.317 -6.332 529 HB3 GLU 68 HB1 GLU 68 14.364 7.160 -4.647 530 HG2 GLU 68 HG2 GLU 68 15.985 9.023 -5.030 531 HG3 GLU 68 HG1 GLU 68 15.262 9.239 -6.621 532 H LYS 69 HN LYS 69 16.282 5.341 -3.877 533 HA LYS 69 HA LYS 69 18.289 7.179 -2.907 534 HB2 LYS 69 HB2 LYS 69 17.265 4.631 -1.647 535 HB3 LYS 69 HB1 LYS 69 18.185 5.894 -0.845 536 HG2 LYS 69 HG2 LYS 69 15.392 6.111 -1.942 537 HG3 LYS 69 HG1 LYS 69 15.871 6.092 -0.245 538 HD2 LYS 69 HD2 LYS 69 17.054 8.198 -0.536 539 HD3 LYS 69 HD1 LYS 69 16.644 8.207 -2.253 540 HE2 LYS 69 HE2 LYS 69 14.242 8.214 -1.609 541 HE3 LYS 69 HE1 LYS 69 14.738 8.391 0.073 542 HZ1 LYS 69 HZ1 LYS 69 15.888 10.455 -0.577 543 HZ2 LYS 69 HZ2 LYS 69 14.219 10.529 -0.832 544 HZ3 LYS 69 HZ3 LYS 69 15.261 10.296 -2.143 545 H GLY 70 HN GLY 70 18.463 4.803 -5.067 546 HA2 GLY 70 HA2 GLY 70 20.545 4.182 -6.022 547 HA3 GLY 70 HA1 GLY 70 21.286 4.324 -4.437 548 H TYR 71 HN TYR 71 18.494 2.750 -3.870 549 HA TYR 71 HA TYR 71 19.868 0.187 -3.784 550 HB2 TYR 71 HB2 TYR 71 17.102 0.872 -2.770 551 HB3 TYR 71 HB1 TYR 71 18.042 -0.561 -2.374 552 HD1 TYR 71 HD1 TYR 71 20.419 -0.018 -1.334 553 HD2 TYR 71 HD2 TYR 71 17.071 2.600 -1.237 554 HE1 TYR 71 HE1 TYR 71 21.379 1.121 0.614 555 HE2 TYR 71 HE2 TYR 71 18.024 3.751 0.715 556 HH TYR 71 HH TYR 71 19.607 3.279 2.541 557 H VAL 72 HN VAL 72 19.896 0.024 -6.113 558 HA VAL 72 HA VAL 72 17.463 -0.162 -7.609 559 HB VAL 72 HB VAL 72 20.207 -1.132 -8.427 560 HG11 VAL 72 HG11 VAL 72 18.398 -1.906 -9.866 561 HG12 VAL 72 HG12 VAL 72 19.408 -0.727 -10.704 562 HG13 VAL 72 HG13 VAL 72 17.835 -0.246 -10.067 563 HG21 VAL 72 HG21 VAL 72 20.528 1.076 -9.449 564 HG22 VAL 72 HG22 VAL 72 20.358 1.184 -7.696 565 HG23 VAL 72 HG23 VAL 72 19.005 1.617 -8.742 566 H LEU 73 HN LEU 73 19.424 -2.332 -5.786 567 HA LEU 73 HA LEU 73 18.361 -4.734 -6.966 568 HB2 LEU 73 HB2 LEU 73 19.944 -4.324 -4.444 569 HB3 LEU 73 HB1 LEU 73 19.571 -5.879 -5.157 570 HG LEU 73 HG LEU 73 21.227 -3.736 -6.483 571 HD11 LEU 73 HD11 LEU 73 23.127 -5.219 -6.018 572 HD12 LEU 73 HD12 LEU 73 22.063 -6.272 -5.087 573 HD13 LEU 73 HD13 LEU 73 22.373 -4.624 -4.539 574 HD21 LEU 73 HD21 LEU 73 20.708 -6.605 -7.245 575 HD22 LEU 73 HD22 LEU 73 21.814 -5.505 -8.065 576 HD23 LEU 73 HD23 LEU 73 20.081 -5.181 -8.073 577 H ALA 74 HN ALA 74 17.055 -2.460 -5.022 578 HA ALA 74 HA ALA 74 15.543 -4.336 -3.349 579 HB1 ALA 74 HB1 ALA 74 14.882 -2.343 -2.067 580 HB2 ALA 74 HB2 ALA 74 15.837 -1.342 -3.159 581 HB3 ALA 74 HB3 ALA 74 16.633 -2.543 -2.141 582 H ARG 75 HN ARG 75 13.317 -4.357 -3.340 583 HA ARG 75 HA ARG 75 11.770 -2.525 -4.925 584 HB2 ARG 75 HB2 ARG 75 12.631 -4.186 -6.614 585 HB3 ARG 75 HB1 ARG 75 11.770 -5.441 -5.735 586 HG2 ARG 75 HG2 ARG 75 10.441 -4.799 -7.601 587 HG3 ARG 75 HG1 ARG 75 9.658 -4.185 -6.144 588 HD2 ARG 75 HD2 ARG 75 10.730 -1.978 -6.577 589 HD3 ARG 75 HD1 ARG 75 11.337 -2.619 -8.101 590 HE ARG 75 HE ARG 75 8.568 -3.025 -8.004 591 HH11 ARG 75 HH11 ARG 75 10.856 -0.379 -8.310 592 HH12 ARG 75 HH12 ARG 75 9.729 0.658 -9.135 593 HH21 ARG 75 HH21 ARG 75 7.121 -1.685 -9.111 594 HH22 ARG 75 HH22 ARG 75 7.625 -0.104 -9.624 595 H ALA 76 HN ALA 76 9.725 -2.394 -4.125 596 HA ALA 76 HA ALA 76 9.043 -4.223 -1.943 597 HB1 ALA 76 HB1 ALA 76 9.034 -1.834 -1.418 598 HB2 ALA 76 HB2 ALA 76 7.419 -2.527 -1.268 599 HB3 ALA 76 HB3 ALA 76 7.835 -1.558 -2.682 600 H PHE 77 HN PHE 77 7.185 -5.441 -1.944 601 HA PHE 77 HA PHE 77 5.406 -5.200 -4.260 602 HB2 PHE 77 HB2 PHE 77 5.431 -7.585 -4.676 603 HB3 PHE 77 HB1 PHE 77 7.074 -6.965 -4.771 604 HD1 PHE 77 HD1 PHE 77 8.680 -7.449 -2.976 605 HD2 PHE 77 HD2 PHE 77 4.798 -9.189 -3.031 606 HE1 PHE 77 HE1 PHE 77 9.421 -9.131 -1.347 607 HE2 PHE 77 HE2 PHE 77 5.530 -10.881 -1.400 608 HZ PHE 77 HZ PHE 77 7.821 -10.893 -0.587 609 H LEU 78 HN LEU 78 3.327 -6.190 -3.941 610 HA LEU 78 HA LEU 78 2.607 -6.322 -1.092 611 HB2 LEU 78 HB2 LEU 78 1.703 -4.391 -2.385 612 HB3 LEU 78 HB1 LEU 78 0.861 -5.526 -3.419 613 HG LEU 78 HG LEU 78 0.351 -5.586 -0.470 614 HD11 LEU 78 HD11 LEU 78 -1.477 -3.968 -0.805 615 HD12 LEU 78 HD12 LEU 78 -0.879 -3.657 -2.435 616 HD13 LEU 78 HD13 LEU 78 0.113 -3.245 -1.037 617 HD21 LEU 78 HD21 LEU 78 -1.851 -6.328 -1.236 618 HD22 LEU 78 HD22 LEU 78 -0.554 -7.342 -1.874 619 HD23 LEU 78 HD23 LEU 78 -1.327 -6.139 -2.912 620 HA PRO 79 HA PRO 79 1.797 -10.567 -2.323 621 HB2 PRO 79 HB2 PRO 79 1.788 -11.592 0.163 622 HB3 PRO 79 HB1 PRO 79 3.288 -11.133 -0.652 623 HG2 PRO 79 HG2 PRO 79 1.727 -9.641 1.419 624 HG3 PRO 79 HG1 PRO 79 3.480 -9.862 1.282 625 HD2 PRO 79 HD2 PRO 79 2.166 -7.602 0.474 626 HD3 PRO 79 HD1 PRO 79 3.699 -8.154 -0.228 627 H ALA 80 HN ALA 80 -0.343 -9.910 -3.044 628 HA ALA 80 HA ALA 80 -2.480 -9.607 -1.150 629 HB1 ALA 80 HB1 ALA 80 -2.490 -8.409 -3.281 630 HB2 ALA 80 HB2 ALA 80 -3.918 -9.432 -3.111 631 HB3 ALA 80 HB3 ALA 80 -2.584 -9.944 -4.145 632 H GLN 81 HN GLN 81 -2.136 -11.662 -0.040 633 HA GLN 81 HA GLN 81 -3.846 -13.702 -1.219 634 HB2 GLN 81 HB2 GLN 81 -2.218 -15.496 -0.466 635 HB3 GLN 81 HB1 GLN 81 -1.757 -14.574 -1.888 636 HG2 GLN 81 HG2 GLN 81 -0.292 -13.185 -0.466 637 HG3 GLN 81 HG1 GLN 81 -0.706 -14.208 0.907 638 HE21 GLN 81 HE21 GLN 81 -0.307 -15.469 -2.315 639 HE22 GLN 81 HE22 GLN 81 1.165 -16.318 -2.009 640 H GLU 82 HN GLU 82 -1.839 -12.990 1.655 641 HA GLU 82 HA GLU 82 -4.115 -13.873 3.305 642 HB2 GLU 82 HB2 GLU 82 -1.157 -14.094 3.875 643 HB3 GLU 82 HB1 GLU 82 -2.421 -14.458 5.041 644 HG2 GLU 82 HG2 GLU 82 -1.994 -15.865 2.416 645 HG3 GLU 82 HG1 GLU 82 -1.535 -16.476 4.005 646 H ILE 83 HN ILE 83 -3.749 -11.220 2.317 647 HA ILE 83 HA ILE 83 -2.854 -9.693 4.633 648 HB ILE 83 HB ILE 83 -3.846 -8.754 1.945 649 HG12 ILE 83 HG12 ILE 83 -1.080 -8.816 3.164 650 HG13 ILE 83 HG11 ILE 83 -1.653 -9.809 1.830 651 HG21 ILE 83 HG21 ILE 83 -4.394 -7.135 3.688 652 HG22 ILE 83 HG22 ILE 83 -3.120 -6.520 2.633 653 HG23 ILE 83 HG23 ILE 83 -2.716 -7.143 4.233 654 HD11 ILE 83 HD11 ILE 83 -0.264 -7.994 1.031 655 HD12 ILE 83 HD12 ILE 83 -1.332 -6.818 1.799 656 HD13 ILE 83 HD13 ILE 83 -1.922 -7.805 0.461 657 H GLN 84 HN GLN 84 -4.174 -8.947 6.115 658 HA GLN 84 HA GLN 84 -6.931 -9.513 6.176 659 HB2 GLN 84 HB2 GLN 84 -6.970 -8.122 8.201 660 HB3 GLN 84 HB1 GLN 84 -5.618 -9.242 8.218 661 HG2 GLN 84 HG2 GLN 84 -5.347 -6.375 7.361 662 HG3 GLN 84 HG1 GLN 84 -5.152 -6.901 9.030 663 HE21 GLN 84 HE21 GLN 84 -3.254 -5.690 7.115 664 HE22 GLN 84 HE22 GLN 84 -1.904 -6.778 7.066 665 H ASP 85 HN ASP 85 -8.634 -7.843 6.472 666 HA ASP 85 HA ASP 85 -8.541 -5.966 4.285 667 HB2 ASP 85 HB2 ASP 85 -10.894 -5.513 4.851 668 HB3 ASP 85 HB1 ASP 85 -10.597 -7.238 4.688 669 H GLY 86 HN GLY 86 -8.855 -3.716 4.477 670 HA2 GLY 86 HA2 GLY 86 -8.795 -1.653 5.580 671 HA3 GLY 86 HA1 GLY 86 -8.517 -2.488 7.098 672 H THR 87 HN THR 87 -6.376 -3.068 7.671 673 HA THR 87 HA THR 87 -4.335 -1.399 6.570 674 HB THR 87 HB THR 87 -4.100 -3.716 8.505 675 HG1 THR 87 HG1 THR 87 -4.668 -2.320 9.997 676 HG21 THR 87 HG21 THR 87 -2.143 -1.515 7.817 677 HG22 THR 87 HG22 THR 87 -1.944 -3.239 7.491 678 HG23 THR 87 HG23 THR 87 -1.957 -2.648 9.154 679 H VAL 88 HN VAL 88 -3.176 -1.805 4.806 680 HA VAL 88 HA VAL 88 -3.028 -4.564 3.824 681 HB VAL 88 HB VAL 88 -2.379 -3.620 1.657 682 HG11 VAL 88 HG11 VAL 88 -4.740 -3.982 2.093 683 HG12 VAL 88 HG12 VAL 88 -4.513 -2.552 1.085 684 HG13 VAL 88 HG13 VAL 88 -4.874 -2.373 2.802 685 HG21 VAL 88 HG21 VAL 88 -2.787 -0.928 2.953 686 HG22 VAL 88 HG22 VAL 88 -2.410 -1.226 1.254 687 HG23 VAL 88 HG23 VAL 88 -1.229 -1.625 2.506 688 H ARG 89 HN ARG 89 -1.070 -5.574 3.513 689 HA ARG 89 HA ARG 89 1.213 -4.142 4.674 690 HB2 ARG 89 HB2 ARG 89 0.342 -6.270 5.773 691 HB3 ARG 89 HB1 ARG 89 1.004 -7.126 4.381 692 HG2 ARG 89 HG2 ARG 89 3.193 -5.914 4.940 693 HG3 ARG 89 HG1 ARG 89 2.444 -5.608 6.509 694 HD2 ARG 89 HD2 ARG 89 2.855 -8.311 5.245 695 HD3 ARG 89 HD1 ARG 89 3.831 -7.611 6.528 696 HE ARG 89 HE ARG 89 1.282 -7.583 7.515 697 HH11 ARG 89 HH11 ARG 89 3.434 -10.041 6.263 698 HH12 ARG 89 HH12 ARG 89 2.754 -11.310 7.227 699 HH21 ARG 89 HH21 ARG 89 0.399 -9.251 8.807 700 HH22 ARG 89 HH22 ARG 89 1.031 -10.862 8.679 701 H ILE 90 HN ILE 90 2.904 -3.697 3.490 702 HA ILE 90 HA ILE 90 3.232 -5.050 0.890 703 HB ILE 90 HB ILE 90 4.144 -2.291 1.726 704 HG12 ILE 90 HG12 ILE 90 2.020 -3.192 -0.232 705 HG13 ILE 90 HG11 ILE 90 1.741 -2.393 1.311 706 HG21 ILE 90 HG21 ILE 90 5.755 -3.305 0.226 707 HG22 ILE 90 HG22 ILE 90 4.866 -2.033 -0.611 708 HG23 ILE 90 HG23 ILE 90 4.469 -3.727 -0.905 709 HD11 ILE 90 HD11 ILE 90 3.153 -1.187 -1.054 710 HD12 ILE 90 HD12 ILE 90 2.830 -0.386 0.484 711 HD13 ILE 90 HD13 ILE 90 1.491 -0.861 -0.563 712 H GLU 91 HN GLU 91 5.084 -6.167 0.577 713 HA GLU 91 HA GLU 91 6.992 -6.175 2.789 714 HB2 GLU 91 HB2 GLU 91 6.669 -8.096 0.481 715 HB3 GLU 91 HB1 GLU 91 7.862 -8.253 1.764 716 HG2 GLU 91 HG2 GLU 91 5.911 -8.263 3.378 717 HG3 GLU 91 HG1 GLU 91 4.879 -8.472 1.965 718 H VAL 92 HN VAL 92 8.884 -5.283 2.654 719 HA VAL 92 HA VAL 92 9.704 -4.117 0.098 720 HB VAL 92 HB VAL 92 10.684 -3.533 2.898 721 HG11 VAL 92 HG11 VAL 92 11.765 -1.575 1.851 722 HG12 VAL 92 HG12 VAL 92 11.290 -2.189 0.267 723 HG13 VAL 92 HG13 VAL 92 12.417 -3.108 1.270 724 HG21 VAL 92 HG21 VAL 92 9.474 -1.375 2.581 725 HG22 VAL 92 HG22 VAL 92 8.410 -2.779 2.665 726 HG23 VAL 92 HG23 VAL 92 8.772 -2.037 1.105 727 H LEU 93 HN LEU 93 10.872 -5.595 -0.992 728 HA LEU 93 HA LEU 93 12.874 -7.186 0.373 729 HB2 LEU 93 HB2 LEU 93 11.540 -8.142 -1.475 730 HB3 LEU 93 HB1 LEU 93 12.225 -6.958 -2.570 731 HG LEU 93 HG LEU 93 14.476 -7.937 -2.152 732 HD11 LEU 93 HD11 LEU 93 14.038 -8.906 0.043 733 HD12 LEU 93 HD12 LEU 93 14.626 -10.126 -1.084 734 HD13 LEU 93 HD13 LEU 93 12.912 -10.053 -0.681 735 HD21 LEU 93 HD21 LEU 93 13.162 -8.574 -4.104 736 HD22 LEU 93 HD22 LEU 93 12.379 -9.849 -3.171 737 HD23 LEU 93 HD23 LEU 93 14.108 -9.936 -3.505 738 H GLU 94 HN GLU 94 14.391 -5.753 1.119 739 HA GLU 94 HA GLU 94 15.451 -3.639 -0.472 740 HB2 GLU 94 HB2 GLU 94 16.629 -4.899 2.005 741 HB3 GLU 94 HB1 GLU 94 17.056 -3.333 1.337 742 HG2 GLU 94 HG2 GLU 94 14.754 -2.560 1.803 743 HG3 GLU 94 HG1 GLU 94 14.420 -4.118 2.552 744 H GLY 95 HN GLY 95 16.066 -6.975 -0.222 745 HA2 GLY 95 HA2 GLY 95 17.616 -7.308 -2.418 746 HA3 GLY 95 HA1 GLY 95 18.786 -6.916 -1.162 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -20.721 -10.192 -3.173 2 H2 MET 1 HT2 MET 1 -21.752 -8.910 -2.789 3 H3 MET 1 HT3 MET 1 -22.201 -10.030 -3.973 4 HA MET 1 HA MET 1 -23.379 -10.396 -1.898 5 HB2 MET 1 HB2 MET 1 -22.879 -12.271 -3.436 6 HB3 MET 1 HB1 MET 1 -21.385 -12.569 -2.561 7 HG2 MET 1 HG2 MET 1 -22.669 -13.070 -0.544 8 HG3 MET 1 HG1 MET 1 -24.165 -12.791 -1.435 9 HE1 MET 1 HE1 MET 1 -23.401 -14.082 -4.298 10 HE2 MET 1 HE2 MET 1 -24.955 -14.273 -3.484 11 HE3 MET 1 HE3 MET 1 -24.086 -15.691 -4.072 12 H ALA 2 HN ALA 2 -19.972 -11.406 -1.487 13 HA ALA 2 HA ALA 2 -20.297 -11.200 1.395 14 HB1 ALA 2 HB1 ALA 2 -19.176 -13.160 0.466 15 HB2 ALA 2 HB2 ALA 2 -18.094 -12.242 1.514 16 HB3 ALA 2 HB3 ALA 2 -17.937 -12.123 -0.238 17 H HIS 3 HN HIS 3 -20.474 -8.941 1.631 18 HA HIS 3 HA HIS 3 -18.306 -7.248 0.720 19 HB2 HIS 3 HB2 HIS 3 -20.731 -6.618 2.414 20 HB3 HIS 3 HB1 HIS 3 -19.578 -5.426 1.828 21 HD1 HIS 3 HD1 HIS 3 -22.724 -6.926 0.991 22 HD2 HIS 3 HD2 HIS 3 -19.497 -5.434 -1.155 23 HE1 HIS 3 HE1 HIS 3 -23.609 -6.449 -1.312 24 HE2 HIS 3 HE2 HIS 3 -21.617 -5.638 -2.623 25 H HIS 4 HN HIS 4 -16.529 -8.108 1.856 26 HA HIS 4 HA HIS 4 -16.540 -8.204 4.729 27 HB2 HIS 4 HB2 HIS 4 -14.281 -8.390 2.729 28 HB3 HIS 4 HB1 HIS 4 -14.058 -8.541 4.465 29 HD1 HIS 4 HD1 HIS 4 -14.267 -10.834 5.397 30 HD2 HIS 4 HD2 HIS 4 -16.068 -10.491 1.665 31 HE1 HIS 4 HE1 HIS 4 -14.996 -13.160 4.778 32 HE2 HIS 4 HE2 HIS 4 -16.179 -12.909 2.569 33 H HIS 5 HN HIS 5 -15.451 -5.957 2.274 34 HA HIS 5 HA HIS 5 -14.422 -4.117 4.262 35 HB2 HIS 5 HB2 HIS 5 -13.916 -2.638 2.326 36 HB3 HIS 5 HB1 HIS 5 -13.186 -4.229 2.186 37 HD1 HIS 5 HD1 HIS 5 -14.954 -1.815 0.233 38 HD2 HIS 5 HD2 HIS 5 -14.915 -5.974 0.429 39 HE1 HIS 5 HE1 HIS 5 -15.889 -2.616 -1.957 40 HE2 HIS 5 HE2 HIS 5 -16.021 -5.119 -1.741 41 H HIS 6 HN HIS 6 -15.537 -2.540 5.181 42 HA HIS 6 HA HIS 6 -18.193 -1.888 4.071 43 HB2 HIS 6 HB2 HIS 6 -17.289 -1.852 6.960 44 HB3 HIS 6 HB1 HIS 6 -18.868 -1.324 6.393 45 HD1 HIS 6 HD1 HIS 6 -20.574 -3.150 5.773 46 HD2 HIS 6 HD2 HIS 6 -16.905 -4.629 7.046 47 HE1 HIS 6 HE1 HIS 6 -20.928 -5.609 6.150 48 HE2 HIS 6 HE2 HIS 6 -18.741 -6.448 7.064 49 H HIS 7 HN HIS 7 -18.871 0.378 5.246 50 HA HIS 7 HA HIS 7 -18.655 2.626 5.015 51 HB2 HIS 7 HB2 HIS 7 -15.846 1.940 5.879 52 HB3 HIS 7 HB1 HIS 7 -16.365 3.599 5.601 53 HD1 HIS 7 HD1 HIS 7 -16.286 0.997 8.146 54 HD2 HIS 7 HD2 HIS 7 -18.540 4.402 7.378 55 HE1 HIS 7 HE1 HIS 7 -17.437 1.547 10.307 56 HE2 HIS 7 HE2 HIS 7 -18.965 3.467 9.750 57 H HIS 8 HN HIS 8 -19.074 2.044 2.729 58 HA HIS 8 HA HIS 8 -16.902 1.696 0.931 59 HB2 HIS 8 HB2 HIS 8 -19.839 2.169 0.460 60 HB3 HIS 8 HB1 HIS 8 -18.681 1.917 -0.843 61 HD1 HIS 8 HD1 HIS 8 -17.070 -0.420 0.039 62 HD2 HIS 8 HD2 HIS 8 -21.163 -0.142 0.745 63 HE1 HIS 8 HE1 HIS 8 -17.875 -2.786 0.366 64 HE2 HIS 8 HE2 HIS 8 -20.313 -2.569 0.969 65 H VAL 9 HN VAL 9 -15.981 2.982 -0.464 66 HA VAL 9 HA VAL 9 -16.735 5.832 -0.499 67 HB VAL 9 HB VAL 9 -14.037 4.611 -1.135 68 HG11 VAL 9 HG11 VAL 9 -14.886 7.495 -0.896 69 HG12 VAL 9 HG12 VAL 9 -14.465 6.653 -2.387 70 HG13 VAL 9 HG13 VAL 9 -13.235 6.929 -1.152 71 HG21 VAL 9 HG21 VAL 9 -14.956 6.125 1.305 72 HG22 VAL 9 HG22 VAL 9 -13.284 5.694 0.954 73 HG23 VAL 9 HG23 VAL 9 -14.480 4.429 1.234 74 H ASP 10 HN ASP 10 -15.672 3.023 -2.321 75 HA ASP 10 HA ASP 10 -17.434 3.208 -4.402 76 HB2 ASP 10 HB2 ASP 10 -16.330 5.315 -5.075 77 HB3 ASP 10 HB1 ASP 10 -14.796 4.459 -5.210 78 H ASP 11 HN ASP 11 -17.464 1.193 -5.107 79 HA ASP 11 HA ASP 11 -14.940 -0.332 -5.145 80 HB2 ASP 11 HB2 ASP 11 -16.457 -1.130 -3.398 81 HB3 ASP 11 HB1 ASP 11 -17.755 -1.298 -4.568 82 H ASP 12 HN ASP 12 -16.242 1.335 -7.221 83 HA ASP 12 HA ASP 12 -17.231 -0.547 -9.181 84 HB2 ASP 12 HB2 ASP 12 -18.113 1.791 -9.015 85 HB3 ASP 12 HB1 ASP 12 -16.546 2.372 -9.576 86 H ASP 13 HN ASP 13 -14.304 1.326 -8.585 87 HA ASP 13 HA ASP 13 -12.907 0.270 -10.867 88 HB2 ASP 13 HB2 ASP 13 -12.108 1.879 -8.464 89 HB3 ASP 13 HB1 ASP 13 -10.864 1.098 -9.432 90 H LYS 14 HN LYS 14 -13.662 -1.956 -10.295 91 HA LYS 14 HA LYS 14 -12.172 -3.203 -8.099 92 HB2 LYS 14 HB2 LYS 14 -14.613 -3.528 -8.179 93 HB3 LYS 14 HB1 LYS 14 -14.460 -4.257 -9.770 94 HG2 LYS 14 HG2 LYS 14 -12.852 -5.906 -8.540 95 HG3 LYS 14 HG1 LYS 14 -13.717 -5.350 -7.107 96 HD2 LYS 14 HD2 LYS 14 -14.921 -6.596 -9.574 97 HD3 LYS 14 HD1 LYS 14 -14.769 -7.348 -7.981 98 HE2 LYS 14 HE2 LYS 14 -16.419 -4.901 -8.633 99 HE3 LYS 14 HE1 LYS 14 -17.047 -6.527 -8.378 100 HZ1 LYS 14 HZ1 LYS 14 -17.277 -5.142 -6.402 101 HZ2 LYS 14 HZ2 LYS 14 -15.609 -4.904 -6.344 102 HZ3 LYS 14 HZ3 LYS 14 -16.252 -6.452 -6.106 103 H MET 15 HN MET 15 -13.290 -4.433 -11.223 104 HA MET 15 HA MET 15 -12.389 -5.871 -12.710 105 HB2 MET 15 HB2 MET 15 -9.882 -4.276 -12.151 106 HB3 MET 15 HB1 MET 15 -10.132 -5.323 -13.539 107 HG2 MET 15 HG2 MET 15 -11.977 -3.881 -14.270 108 HG3 MET 15 HG1 MET 15 -11.665 -2.819 -12.899 109 HE1 MET 15 HE1 MET 15 -8.072 -1.472 -13.725 110 HE2 MET 15 HE2 MET 15 -8.426 -2.930 -12.799 111 HE3 MET 15 HE3 MET 15 -9.399 -1.477 -12.562 112 H GLY 16 HN GLY 16 -12.694 -7.605 -11.157 113 HA2 GLY 16 HA2 GLY 16 -11.583 -9.710 -10.818 114 HA3 GLY 16 HA1 GLY 16 -10.104 -8.825 -10.479 115 H GLY 17 HN GLY 17 -9.676 -8.161 -8.431 116 HA2 GLY 17 HA2 GLY 17 -11.304 -9.388 -6.376 117 HA3 GLY 17 HA1 GLY 17 -9.738 -8.631 -6.152 118 HA PRO 18 HA PRO 18 -13.670 -5.802 -5.227 119 HB2 PRO 18 HB2 PRO 18 -13.853 -6.476 -2.532 120 HB3 PRO 18 HB1 PRO 18 -14.957 -7.012 -3.800 121 HG2 PRO 18 HG2 PRO 18 -12.640 -8.436 -2.575 122 HG3 PRO 18 HG1 PRO 18 -14.210 -9.079 -3.092 123 HD2 PRO 18 HD2 PRO 18 -12.007 -9.447 -4.561 124 HD3 PRO 18 HD1 PRO 18 -13.584 -9.149 -5.327 125 H THR 19 HN THR 19 -13.347 -3.842 -4.218 126 HA THR 19 HA THR 19 -10.658 -3.088 -3.811 127 HB THR 19 HB THR 19 -11.623 -0.908 -3.059 128 HG1 THR 19 HG1 THR 19 -14.146 -2.062 -3.702 129 HG21 THR 19 HG21 THR 19 -12.676 -0.354 -5.220 130 HG22 THR 19 HG22 THR 19 -12.754 -2.074 -5.602 131 HG23 THR 19 HG23 THR 19 -11.190 -1.281 -5.415 132 H VAL 20 HN VAL 20 -9.481 -2.707 -2.044 133 HA VAL 20 HA VAL 20 -10.570 -3.592 0.515 134 HB VAL 20 HB VAL 20 -7.756 -3.090 -0.350 135 HG11 VAL 20 HG11 VAL 20 -7.077 -4.013 1.820 136 HG12 VAL 20 HG12 VAL 20 -8.772 -4.066 2.305 137 HG13 VAL 20 HG13 VAL 20 -7.993 -2.515 1.994 138 HG21 VAL 20 HG21 VAL 20 -8.690 -5.115 -1.299 139 HG22 VAL 20 HG22 VAL 20 -9.201 -5.644 0.306 140 HG23 VAL 20 HG23 VAL 20 -7.484 -5.514 -0.076 141 H LEU 21 HN LEU 21 -11.277 -2.082 1.886 142 HA LEU 21 HA LEU 21 -10.725 0.685 1.507 143 HB2 LEU 21 HB2 LEU 21 -12.818 0.043 2.528 144 HB3 LEU 21 HB1 LEU 21 -11.982 -0.813 3.809 145 HG LEU 21 HG LEU 21 -11.034 1.379 4.564 146 HD11 LEU 21 HD11 LEU 21 -13.029 2.512 2.616 147 HD12 LEU 21 HD12 LEU 21 -11.273 2.606 2.478 148 HD13 LEU 21 HD13 LEU 21 -12.099 3.426 3.802 149 HD21 LEU 21 HD21 LEU 21 -12.918 0.396 5.704 150 HD22 LEU 21 HD22 LEU 21 -14.030 1.104 4.531 151 HD23 LEU 21 HD23 LEU 21 -13.111 2.147 5.617 152 H VAL 22 HN VAL 22 -8.573 0.998 1.569 153 HA VAL 22 HA VAL 22 -6.864 -0.085 3.547 154 HB VAL 22 HB VAL 22 -6.405 2.303 1.756 155 HG11 VAL 22 HG11 VAL 22 -4.070 1.990 2.185 156 HG12 VAL 22 HG12 VAL 22 -4.384 0.524 3.114 157 HG13 VAL 22 HG13 VAL 22 -4.895 2.091 3.743 158 HG21 VAL 22 HG21 VAL 22 -5.210 0.721 0.316 159 HG22 VAL 22 HG22 VAL 22 -6.921 0.320 0.466 160 HG23 VAL 22 HG23 VAL 22 -5.717 -0.602 1.364 161 H LYS 23 HN LYS 23 -6.982 0.422 5.591 162 HA LYS 23 HA LYS 23 -7.712 3.115 6.438 163 HB2 LYS 23 HB2 LYS 23 -7.087 0.647 8.074 164 HB3 LYS 23 HB1 LYS 23 -7.728 2.160 8.699 165 HG2 LYS 23 HG2 LYS 23 -9.789 1.841 7.511 166 HG3 LYS 23 HG1 LYS 23 -9.143 0.413 6.698 167 HD2 LYS 23 HD2 LYS 23 -8.909 -0.692 8.884 168 HD3 LYS 23 HD1 LYS 23 -9.626 0.720 9.660 169 HE2 LYS 23 HE2 LYS 23 -11.688 0.378 8.424 170 HE3 LYS 23 HE1 LYS 23 -10.972 -0.991 7.573 171 HZ1 LYS 23 HZ1 LYS 23 -12.379 -1.701 9.420 172 HZ2 LYS 23 HZ2 LYS 23 -11.412 -0.845 10.507 173 HZ3 LYS 23 HZ3 LYS 23 -10.770 -2.162 9.666 174 H ARG 24 HN ARG 24 -5.016 0.922 6.247 175 HA ARG 24 HA ARG 24 -3.121 3.037 6.578 176 HB2 ARG 24 HB2 ARG 24 -2.006 2.193 8.569 177 HB3 ARG 24 HB1 ARG 24 -3.685 2.545 8.955 178 HG2 ARG 24 HG2 ARG 24 -4.250 0.209 8.863 179 HG3 ARG 24 HG1 ARG 24 -2.626 -0.200 8.313 180 HD2 ARG 24 HD2 ARG 24 -2.771 -0.704 10.644 181 HD3 ARG 24 HD1 ARG 24 -1.745 0.714 10.454 182 HE ARG 24 HE ARG 24 -4.286 1.684 10.905 183 HH11 ARG 24 HH11 ARG 24 -1.974 -0.310 12.616 184 HH12 ARG 24 HH12 ARG 24 -2.568 0.122 14.185 185 HH21 ARG 24 HH21 ARG 24 -5.075 2.250 12.972 186 HH22 ARG 24 HH22 ARG 24 -4.341 1.566 14.387 187 H PHE 25 HN PHE 25 -0.943 2.321 6.187 188 HA PHE 25 HA PHE 25 -0.818 -0.259 4.772 189 HB2 PHE 25 HB2 PHE 25 0.927 2.210 4.574 190 HB3 PHE 25 HB1 PHE 25 1.285 0.692 3.759 191 HD1 PHE 25 HD1 PHE 25 -1.377 3.264 4.075 192 HD2 PHE 25 HD2 PHE 25 0.473 0.327 1.623 193 HE1 PHE 25 HE1 PHE 25 -2.783 3.956 2.194 194 HE2 PHE 25 HE2 PHE 25 -0.930 1.015 -0.268 195 HZ PHE 25 HZ PHE 25 -2.564 2.836 0.010 196 H GLN 26 HN GLN 26 0.688 -1.767 5.315 197 HA GLN 26 HA GLN 26 2.385 -1.192 7.659 198 HB2 GLN 26 HB2 GLN 26 0.397 -2.726 8.063 199 HB3 GLN 26 HB1 GLN 26 1.160 -3.874 6.974 200 HG2 GLN 26 HG2 GLN 26 1.753 -4.584 9.114 201 HG3 GLN 26 HG1 GLN 26 3.180 -3.744 8.508 202 HE21 GLN 26 HE21 GLN 26 3.955 -3.276 10.556 203 HE22 GLN 26 HE22 GLN 26 3.209 -2.111 11.591 204 H LEU 27 HN LEU 27 4.533 -1.569 7.333 205 HA LEU 27 HA LEU 27 5.253 -2.837 4.778 206 HB2 LEU 27 HB2 LEU 27 6.684 -0.846 6.522 207 HB3 LEU 27 HB1 LEU 27 7.523 -1.748 5.277 208 HG LEU 27 HG LEU 27 6.958 0.469 4.487 209 HD11 LEU 27 HD11 LEU 27 7.036 -1.174 2.793 210 HD12 LEU 27 HD12 LEU 27 5.620 -0.173 2.472 211 HD13 LEU 27 HD13 LEU 27 5.427 -1.764 3.199 212 HD21 LEU 27 HD21 LEU 27 4.656 1.185 4.171 213 HD22 LEU 27 HD22 LEU 27 5.001 0.901 5.877 214 HD23 LEU 27 HD23 LEU 27 4.080 -0.285 4.954 215 H SER 28 HN SER 28 6.445 -4.622 4.699 216 HA SER 28 HA SER 28 7.516 -5.670 7.233 217 HB2 SER 28 HB2 SER 28 5.364 -6.767 6.588 218 HB3 SER 28 HB1 SER 28 6.120 -7.287 5.085 219 HG SER 28 HG SER 28 6.397 -8.263 7.648 220 H GLY 29 HN GLY 29 9.624 -6.170 7.111 221 HA2 GLY 29 HA2 GLY 29 11.452 -7.319 6.075 222 HA3 GLY 29 HA1 GLY 29 10.720 -7.000 4.509 223 H ASN 30 HN ASN 30 10.237 -4.178 5.718 224 HA ASN 30 HA ASN 30 12.508 -2.977 4.478 225 HB2 ASN 30 HB2 ASN 30 11.485 -0.832 5.255 226 HB3 ASN 30 HB1 ASN 30 10.390 -1.839 4.320 227 HD21 ASN 30 HD21 ASN 30 10.011 0.286 6.395 228 HD22 ASN 30 HD22 ASN 30 8.927 -0.424 7.544 229 H ARG 31 HN ARG 31 14.306 -2.124 5.357 230 HA ARG 31 HA ARG 31 14.469 -2.032 8.301 231 HB2 ARG 31 HB2 ARG 31 15.634 -4.034 7.466 232 HB3 ARG 31 HB1 ARG 31 16.626 -3.023 6.427 233 HG2 ARG 31 HG2 ARG 31 17.806 -3.735 8.453 234 HG3 ARG 31 HG1 ARG 31 17.646 -1.981 8.353 235 HD2 ARG 31 HD2 ARG 31 17.208 -2.885 10.619 236 HD3 ARG 31 HD1 ARG 31 15.843 -2.000 9.940 237 HE ARG 31 HE ARG 31 15.800 -4.879 9.560 238 HH11 ARG 31 HH11 ARG 31 14.787 -2.154 11.506 239 HH12 ARG 31 HH12 ARG 31 13.440 -2.987 12.215 240 HH21 ARG 31 HH21 ARG 31 14.020 -5.988 10.493 241 HH22 ARG 31 HH22 ARG 31 13.003 -5.169 11.634 242 H GLN 32 HN GLN 32 15.676 -0.847 5.203 243 HA GLN 32 HA GLN 32 17.356 1.167 6.293 244 HB2 GLN 32 HB2 GLN 32 17.551 0.270 3.983 245 HB3 GLN 32 HB1 GLN 32 16.042 1.068 3.574 246 HG2 GLN 32 HG2 GLN 32 17.960 2.336 2.797 247 HG3 GLN 32 HG1 GLN 32 17.043 3.232 4.005 248 HE21 GLN 32 HE21 GLN 32 17.943 3.601 6.024 249 HE22 GLN 32 HE22 GLN 32 19.629 3.372 6.342 250 H PHE 33 HN PHE 33 14.006 1.117 5.203 251 HA PHE 33 HA PHE 33 13.639 3.754 6.448 252 HB2 PHE 33 HB2 PHE 33 12.257 2.751 3.949 253 HB3 PHE 33 HB1 PHE 33 11.980 4.301 4.733 254 HD1 PHE 33 HD2 PHE 33 13.834 5.990 4.785 255 HD2 PHE 33 HD1 PHE 33 14.024 2.457 2.421 256 HE1 PHE 33 HE2 PHE 33 15.609 7.002 3.420 257 HE2 PHE 33 HE1 PHE 33 15.799 3.464 1.051 258 HZ PHE 33 HZ PHE 33 16.596 5.739 1.550 259 H ASP 34 HN ASP 34 11.950 3.926 7.804 260 HA ASP 34 HA ASP 34 10.749 1.475 8.705 261 HB2 ASP 34 HB2 ASP 34 9.812 2.869 10.500 262 HB3 ASP 34 HB1 ASP 34 11.540 3.150 10.309 263 H ASP 35 HN ASP 35 8.331 1.735 9.455 264 HA ASP 35 HA ASP 35 6.740 1.569 7.174 265 HB2 ASP 35 HB2 ASP 35 5.870 2.128 10.014 266 HB3 ASP 35 HB1 ASP 35 4.794 1.645 8.712 267 H ARG 36 HN ARG 36 6.822 4.182 9.591 268 HA ARG 36 HA ARG 36 4.877 5.779 8.389 269 HB2 ARG 36 HB2 ARG 36 7.148 6.500 10.221 270 HB3 ARG 36 HB1 ARG 36 5.883 7.630 9.746 271 HG2 ARG 36 HG2 ARG 36 4.199 6.272 10.773 272 HG3 ARG 36 HG1 ARG 36 5.372 4.997 11.109 273 HD2 ARG 36 HD2 ARG 36 4.957 6.255 13.113 274 HD3 ARG 36 HD1 ARG 36 6.599 6.552 12.555 275 HE ARG 36 HE ARG 36 4.585 8.485 11.746 276 HH11 ARG 36 HH11 ARG 36 7.169 7.639 13.951 277 HH12 ARG 36 HH12 ARG 36 7.416 9.269 14.488 278 HH21 ARG 36 HH21 ARG 36 4.905 10.635 12.456 279 HH22 ARG 36 HH22 ARG 36 6.139 10.979 13.627 280 H ARG 37 HN ARG 37 8.343 5.614 7.874 281 HA ARG 37 HA ARG 37 8.635 7.875 6.231 282 HB2 ARG 37 HB2 ARG 37 10.515 6.575 7.196 283 HB3 ARG 37 HB1 ARG 37 10.148 5.260 6.090 284 HG2 ARG 37 HG2 ARG 37 11.979 6.463 5.185 285 HG3 ARG 37 HG1 ARG 37 10.567 6.843 4.200 286 HD2 ARG 37 HD2 ARG 37 10.287 8.951 5.365 287 HD3 ARG 37 HD1 ARG 37 11.631 8.565 6.437 288 HE ARG 37 HE ARG 37 11.805 9.329 3.612 289 HH11 ARG 37 HH11 ARG 37 13.425 8.412 6.583 290 HH12 ARG 37 HH12 ARG 37 14.965 9.037 6.086 291 HH21 ARG 37 HH21 ARG 37 13.840 10.165 2.965 292 HH22 ARG 37 HH22 ARG 37 15.201 10.026 4.034 293 H LEU 38 HN LEU 38 7.876 4.500 5.445 294 HA LEU 38 HA LEU 38 7.730 5.034 2.628 295 HB2 LEU 38 HB2 LEU 38 7.231 2.648 4.355 296 HB3 LEU 38 HB1 LEU 38 6.667 2.642 2.700 297 HG LEU 38 HG LEU 38 8.682 2.046 1.968 298 HD11 LEU 38 HD11 LEU 38 9.385 4.329 1.822 299 HD12 LEU 38 HD12 LEU 38 10.730 3.358 2.421 300 HD13 LEU 38 HD13 LEU 38 9.798 4.358 3.536 301 HD21 LEU 38 HD21 LEU 38 9.430 2.074 4.880 302 HD22 LEU 38 HD22 LEU 38 10.403 1.355 3.599 303 HD23 LEU 38 HD23 LEU 38 8.800 0.714 3.951 304 H LEU 39 HN LEU 39 5.506 4.939 5.279 305 HA LEU 39 HA LEU 39 3.057 4.675 3.977 306 HB2 LEU 39 HB2 LEU 39 4.020 5.804 6.518 307 HB3 LEU 39 HB1 LEU 39 2.492 6.450 5.963 308 HG LEU 39 HG LEU 39 1.398 4.395 6.178 309 HD11 LEU 39 HD11 LEU 39 2.990 2.994 4.989 310 HD12 LEU 39 HD12 LEU 39 2.543 2.258 6.528 311 HD13 LEU 39 HD13 LEU 39 4.098 3.070 6.358 312 HD21 LEU 39 HD21 LEU 39 1.776 3.739 8.432 313 HD22 LEU 39 HD22 LEU 39 2.116 5.467 8.324 314 HD23 LEU 39 HD23 LEU 39 3.445 4.305 8.378 315 H ALA 40 HN ALA 40 5.128 7.471 4.350 316 HA ALA 40 HA ALA 40 3.361 9.457 3.458 317 HB1 ALA 40 HB1 ALA 40 5.508 9.940 4.533 318 HB2 ALA 40 HB2 ALA 40 5.351 10.786 2.993 319 HB3 ALA 40 HB3 ALA 40 6.357 9.342 3.107 320 H LEU 41 HN LEU 41 5.097 7.025 1.677 321 HA LEU 41 HA LEU 41 4.874 8.240 -0.890 322 HB2 LEU 41 HB2 LEU 41 5.283 5.405 0.033 323 HB3 LEU 41 HB1 LEU 41 5.145 5.814 -1.667 324 HG LEU 41 HG LEU 41 7.144 7.379 -0.154 325 HD11 LEU 41 HD11 LEU 41 7.686 4.507 -0.858 326 HD12 LEU 41 HD12 LEU 41 7.336 5.057 0.775 327 HD13 LEU 41 HD13 LEU 41 8.772 5.644 -0.064 328 HD21 LEU 41 HD21 LEU 41 7.244 5.869 -2.762 329 HD22 LEU 41 HD22 LEU 41 8.394 7.083 -2.195 330 HD23 LEU 41 HD23 LEU 41 6.742 7.553 -2.591 331 H LEU 42 HN LEU 42 2.739 6.429 1.143 332 HA LEU 42 HA LEU 42 0.785 6.176 -1.043 333 HB2 LEU 42 HB2 LEU 42 0.767 4.826 1.659 334 HB3 LEU 42 HB1 LEU 42 -0.363 4.541 0.354 335 HG LEU 42 HG LEU 42 0.935 2.735 0.021 336 HD11 LEU 42 HD11 LEU 42 2.672 4.802 -1.301 337 HD12 LEU 42 HD12 LEU 42 1.252 4.021 -1.999 338 HD13 LEU 42 HD13 LEU 42 2.692 3.069 -1.634 339 HD21 LEU 42 HD21 LEU 42 3.303 4.216 1.136 340 HD22 LEU 42 HD22 LEU 42 3.254 2.511 0.687 341 HD23 LEU 42 HD23 LEU 42 2.259 3.098 2.017 342 H HIS 43 HN HIS 43 1.541 8.466 0.858 343 HA HIS 43 HA HIS 43 -0.255 8.933 2.858 344 HB2 HIS 43 HB2 HIS 43 0.384 11.219 2.779 345 HB3 HIS 43 HB1 HIS 43 1.771 10.296 2.233 346 HD1 HIS 43 HD1 HIS 43 -0.488 13.002 1.219 347 HD2 HIS 43 HD2 HIS 43 2.198 10.426 -0.633 348 HE1 HIS 43 HE1 HIS 43 -0.027 14.009 -1.038 349 HE2 HIS 43 HE2 HIS 43 1.711 12.509 -2.076 350 H ASP 44 HN ASP 44 -0.989 9.117 -0.546 351 HA ASP 44 HA ASP 44 -3.420 10.666 0.034 352 HB2 ASP 44 HB2 ASP 44 -3.483 11.254 -2.300 353 HB3 ASP 44 HB1 ASP 44 -1.857 11.554 -1.698 354 H LEU 45 HN LEU 45 -2.704 7.558 0.032 355 HA LEU 45 HA LEU 45 -4.721 6.667 -1.878 356 HB2 LEU 45 HB2 LEU 45 -2.717 5.094 -0.279 357 HB3 LEU 45 HB1 LEU 45 -3.856 4.396 -1.411 358 HG LEU 45 HG LEU 45 -1.610 6.298 -2.080 359 HD11 LEU 45 HD11 LEU 45 -2.032 3.396 -2.771 360 HD12 LEU 45 HD12 LEU 45 -0.919 4.002 -1.545 361 HD13 LEU 45 HD13 LEU 45 -0.661 4.399 -3.245 362 HD21 LEU 45 HD21 LEU 45 -3.509 6.731 -3.522 363 HD22 LEU 45 HD22 LEU 45 -3.678 5.008 -3.857 364 HD23 LEU 45 HD23 LEU 45 -2.254 5.881 -4.422 365 HA PRO 46 HA PRO 46 -6.304 4.353 1.925 366 HB2 PRO 46 HB2 PRO 46 -5.586 4.986 4.424 367 HB3 PRO 46 HB1 PRO 46 -4.598 3.946 3.404 368 HG2 PRO 46 HG2 PRO 46 -4.236 6.832 4.054 369 HG3 PRO 46 HG1 PRO 46 -3.024 5.545 3.905 370 HD2 PRO 46 HD2 PRO 46 -3.598 7.388 1.933 371 HD3 PRO 46 HD1 PRO 46 -2.865 5.803 1.643 372 H GLY 47 HN GLY 47 -8.091 4.660 3.382 373 HA2 GLY 47 HA2 GLY 47 -9.837 6.034 4.231 374 HA3 GLY 47 HA1 GLY 47 -9.113 7.418 3.410 375 H GLN 48 HN GLN 48 -8.788 5.163 1.234 376 HA GLN 48 HA GLN 48 -11.479 5.408 0.068 377 HB2 GLN 48 HB2 GLN 48 -8.812 5.294 -1.362 378 HB3 GLN 48 HB1 GLN 48 -10.384 5.343 -2.145 379 HG2 GLN 48 HG2 GLN 48 -10.787 7.560 -1.236 380 HG3 GLN 48 HG1 GLN 48 -9.234 7.510 -0.402 381 HE21 GLN 48 HE21 GLN 48 -8.498 9.336 -1.492 382 HE22 GLN 48 HE22 GLN 48 -8.041 9.292 -3.161 383 H GLU 49 HN GLU 49 -11.836 3.595 -1.594 384 HA GLU 49 HA GLU 49 -10.818 1.099 -0.450 385 HB2 GLU 49 HB2 GLU 49 -13.160 1.585 -2.312 386 HB3 GLU 49 HB1 GLU 49 -12.681 0.017 -1.681 387 HG2 GLU 49 HG2 GLU 49 -13.134 0.783 0.589 388 HG3 GLU 49 HG1 GLU 49 -13.604 2.362 -0.037 389 H LEU 50 HN LEU 50 -9.059 0.397 -1.385 390 HA LEU 50 HA LEU 50 -8.552 1.035 -4.208 391 HB2 LEU 50 HB2 LEU 50 -6.740 0.240 -1.936 392 HB3 LEU 50 HB1 LEU 50 -6.190 0.340 -3.598 393 HG LEU 50 HG LEU 50 -5.488 2.343 -2.627 394 HD11 LEU 50 HD11 LEU 50 -8.127 3.007 -3.909 395 HD12 LEU 50 HD12 LEU 50 -6.614 2.704 -4.761 396 HD13 LEU 50 HD13 LEU 50 -6.761 4.101 -3.695 397 HD21 LEU 50 HD21 LEU 50 -6.948 3.809 -1.281 398 HD22 LEU 50 HD22 LEU 50 -6.671 2.234 -0.538 399 HD23 LEU 50 HD23 LEU 50 -8.204 2.570 -1.345 400 H ASN 51 HN ASN 51 -8.800 -0.533 -5.668 401 HA ASN 51 HA ASN 51 -9.259 -3.247 -4.927 402 HB2 ASN 51 HB2 ASN 51 -9.471 -3.709 -7.280 403 HB3 ASN 51 HB1 ASN 51 -10.280 -2.186 -6.940 404 HD21 ASN 51 HD21 ASN 51 -9.262 -3.203 -9.440 405 HD22 ASN 51 HD22 ASN 51 -8.108 -2.043 -10.011 406 H LEU 52 HN LEU 52 -8.026 -5.061 -6.000 407 HA LEU 52 HA LEU 52 -5.526 -5.279 -4.899 408 HB2 LEU 52 HB2 LEU 52 -6.925 -6.721 -7.092 409 HB3 LEU 52 HB1 LEU 52 -5.220 -7.041 -6.859 410 HG LEU 52 HG LEU 52 -6.635 -8.691 -5.725 411 HD11 LEU 52 HD11 LEU 52 -5.130 -6.925 -3.809 412 HD12 LEU 52 HD12 LEU 52 -4.414 -8.149 -4.854 413 HD13 LEU 52 HD13 LEU 52 -5.530 -8.625 -3.572 414 HD21 LEU 52 HD21 LEU 52 -7.973 -8.087 -3.796 415 HD22 LEU 52 HD22 LEU 52 -8.545 -7.223 -5.223 416 HD23 LEU 52 HD23 LEU 52 -7.567 -6.386 -4.019 417 H SER 53 HN SER 53 -6.292 -4.391 -8.234 418 HA SER 53 HA SER 53 -3.787 -4.168 -9.327 419 HB2 SER 53 HB2 SER 53 -6.060 -2.228 -9.794 420 HB3 SER 53 HB1 SER 53 -4.780 -2.661 -10.926 421 HG SER 53 HG SER 53 -5.681 -4.609 -11.243 422 H GLN 54 HN GLN 54 -5.585 -1.608 -7.629 423 HA GLN 54 HA GLN 54 -3.426 0.252 -7.761 424 HB2 GLN 54 HB2 GLN 54 -6.106 0.178 -6.449 425 HB3 GLN 54 HB1 GLN 54 -4.953 1.413 -5.962 426 HG2 GLN 54 HG2 GLN 54 -4.838 2.275 -8.192 427 HG3 GLN 54 HG1 GLN 54 -5.795 0.931 -8.810 428 HE21 GLN 54 HE21 GLN 54 -7.666 0.936 -6.632 429 HE22 GLN 54 HE22 GLN 54 -8.672 2.328 -6.833 430 H LEU 55 HN LEU 55 -4.333 -2.243 -5.547 431 HA LEU 55 HA LEU 55 -3.017 -1.271 -3.249 432 HB2 LEU 55 HB2 LEU 55 -3.601 -4.107 -4.096 433 HB3 LEU 55 HB1 LEU 55 -3.018 -3.652 -2.510 434 HG LEU 55 HG LEU 55 -5.665 -2.854 -3.720 435 HD11 LEU 55 HD11 LEU 55 -5.532 -5.203 -3.023 436 HD12 LEU 55 HD12 LEU 55 -6.630 -4.273 -2.009 437 HD13 LEU 55 HD13 LEU 55 -5.022 -4.689 -1.418 438 HD21 LEU 55 HD21 LEU 55 -4.795 -1.091 -2.289 439 HD22 LEU 55 HD22 LEU 55 -4.516 -2.258 -0.998 440 HD23 LEU 55 HD23 LEU 55 -6.162 -1.904 -1.528 441 H HIS 56 HN HIS 56 -1.898 -3.604 -5.733 442 HA HIS 56 HA HIS 56 0.726 -3.654 -4.579 443 HB2 HIS 56 HB2 HIS 56 1.401 -4.973 -6.547 444 HB3 HIS 56 HB1 HIS 56 -0.008 -5.629 -5.738 445 HD1 HIS 56 HD1 HIS 56 0.963 -3.770 -8.887 446 HD2 HIS 56 HD2 HIS 56 -2.204 -5.964 -7.323 447 HE1 HIS 56 HE1 HIS 56 -0.601 -4.167 -10.813 448 HE2 HIS 56 HE2 HIS 56 -2.392 -5.677 -9.886 449 H ALA 57 HN ALA 57 -0.849 -1.702 -6.938 450 HA ALA 57 HA ALA 57 1.396 -0.603 -8.226 451 HB1 ALA 57 HB1 ALA 57 -0.047 1.275 -8.788 452 HB2 ALA 57 HB2 ALA 57 -1.225 0.745 -7.588 453 HB3 ALA 57 HB3 ALA 57 -0.901 -0.253 -9.005 454 H ALA 58 HN ALA 58 -0.126 0.086 -5.147 455 HA ALA 58 HA ALA 58 1.239 2.444 -4.459 456 HB1 ALA 58 HB1 ALA 58 0.653 1.876 -2.157 457 HB2 ALA 58 HB2 ALA 58 0.242 0.236 -2.655 458 HB3 ALA 58 HB3 ALA 58 -0.711 1.600 -3.240 459 H ALA 59 HN ALA 59 2.139 -0.939 -4.261 460 HA ALA 59 HA ALA 59 4.413 -0.604 -2.603 461 HB1 ALA 59 HB1 ALA 59 3.300 -2.760 -2.886 462 HB2 ALA 59 HB2 ALA 59 5.010 -2.864 -3.303 463 HB3 ALA 59 HB3 ALA 59 3.794 -2.797 -4.578 464 H ALA 60 HN ALA 60 3.855 -0.324 -6.031 465 HA ALA 60 HA ALA 60 6.534 -0.422 -6.903 466 HB1 ALA 60 HB1 ALA 60 4.622 -0.664 -8.420 467 HB2 ALA 60 HB2 ALA 60 5.724 0.605 -8.953 468 HB3 ALA 60 HB3 ALA 60 4.208 1.032 -8.159 469 H ARG 61 HN ARG 61 4.587 2.106 -5.502 470 HA ARG 61 HA ARG 61 6.212 4.329 -6.110 471 HB2 ARG 61 HB2 ARG 61 4.461 3.797 -3.699 472 HB3 ARG 61 HB1 ARG 61 5.170 5.357 -4.090 473 HG2 ARG 61 HG2 ARG 61 3.877 5.494 -6.114 474 HG3 ARG 61 HG1 ARG 61 3.248 3.866 -5.858 475 HD2 ARG 61 HD2 ARG 61 2.093 4.562 -3.876 476 HD3 ARG 61 HD1 ARG 61 2.836 6.153 -3.946 477 HE ARG 61 HE ARG 61 1.201 5.373 -6.224 478 HH11 ARG 61 HH11 ARG 61 1.440 7.169 -3.217 479 HH12 ARG 61 HH12 ARG 61 0.037 8.153 -3.540 480 HH21 ARG 61 HH21 ARG 61 -0.629 6.674 -6.659 481 HH22 ARG 61 HH22 ARG 61 -1.135 7.862 -5.503 482 H ILE 62 HN ILE 62 6.301 1.927 -3.561 483 HA ILE 62 HA ILE 62 8.390 3.245 -2.092 484 HB ILE 62 HB ILE 62 7.226 0.476 -1.811 485 HG12 ILE 62 HG12 ILE 62 6.717 2.990 -0.216 486 HG13 ILE 62 HG11 ILE 62 5.634 2.337 -1.439 487 HG21 ILE 62 HG21 ILE 62 8.244 0.511 0.444 488 HG22 ILE 62 HG22 ILE 62 9.069 2.011 0.013 489 HG23 ILE 62 HG23 ILE 62 9.438 0.522 -0.857 490 HD11 ILE 62 HD11 ILE 62 4.990 1.826 0.890 491 HD12 ILE 62 HD12 ILE 62 6.463 0.868 1.037 492 HD13 ILE 62 HD13 ILE 62 5.218 0.402 -0.122 493 H GLY 63 HN GLY 63 8.120 0.529 -4.326 494 HA2 GLY 63 HA2 GLY 63 10.778 -0.370 -4.211 495 HA3 GLY 63 HA1 GLY 63 9.725 -0.498 -5.615 496 H ASP 64 HN ASP 64 9.268 2.079 -6.280 497 HA ASP 64 HA ASP 64 11.610 2.899 -7.616 498 HB2 ASP 64 HB2 ASP 64 9.444 3.486 -8.493 499 HB3 ASP 64 HB1 ASP 64 9.013 4.336 -7.017 500 H PHE 65 HN PHE 65 10.103 3.937 -4.606 501 HA PHE 65 HA PHE 65 11.614 6.158 -3.963 502 HB2 PHE 65 HB2 PHE 65 9.703 5.389 -2.626 503 HB3 PHE 65 HB1 PHE 65 10.619 3.980 -2.104 504 HD1 PHE 65 HD1 PHE 65 10.358 7.640 -1.855 505 HD2 PHE 65 HD2 PHE 65 12.180 4.119 -0.324 506 HE1 PHE 65 HE1 PHE 65 11.204 8.920 0.064 507 HE2 PHE 65 HE2 PHE 65 13.032 5.392 1.599 508 HZ PHE 65 HZ PHE 65 12.546 7.797 1.793 509 H TYR 66 HN TYR 66 12.293 2.779 -3.107 510 HA TYR 66 HA TYR 66 14.795 3.202 -1.923 511 HB2 TYR 66 HB2 TYR 66 13.360 0.873 -3.089 512 HB3 TYR 66 HB1 TYR 66 15.092 0.709 -2.839 513 HD1 TYR 66 HD2 TYR 66 12.055 1.856 -0.961 514 HD2 TYR 66 HD1 TYR 66 15.811 -0.134 -0.845 515 HE1 TYR 66 HE2 TYR 66 11.675 1.285 1.401 516 HE2 TYR 66 HE1 TYR 66 15.445 -0.710 1.507 517 HH TYR 66 HH TYR 66 14.149 -0.449 3.288 518 H GLN 67 HN GLN 67 13.904 2.600 -5.293 519 HA GLN 67 HA GLN 67 16.495 2.203 -6.292 520 HB2 GLN 67 HB2 GLN 67 14.099 3.350 -7.732 521 HB3 GLN 67 HB1 GLN 67 15.549 2.718 -8.499 522 HG2 GLN 67 HG2 GLN 67 15.042 0.519 -7.416 523 HG3 GLN 67 HG1 GLN 67 13.499 1.199 -6.917 524 HE21 GLN 67 HE21 GLN 67 14.073 -1.043 -8.685 525 HE22 GLN 67 HE22 GLN 67 13.313 -0.666 -10.193 526 H GLU 68 HN GLU 68 14.625 5.164 -5.794 527 HA GLU 68 HA GLU 68 16.513 6.880 -7.058 528 HB2 GLU 68 HB2 GLU 68 14.464 7.555 -4.943 529 HB3 GLU 68 HB1 GLU 68 15.314 8.711 -5.959 530 HG2 GLU 68 HG2 GLU 68 14.283 7.539 -7.937 531 HG3 GLU 68 HG1 GLU 68 13.263 6.682 -6.783 532 H LYS 69 HN LYS 69 16.394 5.323 -4.022 533 HA LYS 69 HA LYS 69 18.354 7.102 -2.808 534 HB2 LYS 69 HB2 LYS 69 17.145 4.539 -1.752 535 HB3 LYS 69 HB1 LYS 69 18.135 5.666 -0.837 536 HG2 LYS 69 HG2 LYS 69 15.430 6.271 -2.016 537 HG3 LYS 69 HG1 LYS 69 15.760 5.906 -0.323 538 HD2 LYS 69 HD2 LYS 69 17.172 7.892 -0.166 539 HD3 LYS 69 HD1 LYS 69 16.872 8.247 -1.868 540 HE2 LYS 69 HE2 LYS 69 14.490 8.501 -1.399 541 HE3 LYS 69 HE1 LYS 69 14.776 8.130 0.298 542 HZ1 LYS 69 HZ1 LYS 69 14.606 10.504 -0.051 543 HZ2 LYS 69 HZ2 LYS 69 15.866 10.466 -1.178 544 HZ3 LYS 69 HZ3 LYS 69 16.173 10.108 0.445 545 H GLY 70 HN GLY 70 18.553 4.898 -5.118 546 HA2 GLY 70 HA2 GLY 70 20.644 4.202 -6.000 547 HA3 GLY 70 HA1 GLY 70 21.305 4.209 -4.374 548 H TYR 71 HN TYR 71 18.495 2.771 -3.875 549 HA TYR 71 HA TYR 71 19.715 0.134 -3.976 550 HB2 TYR 71 HB2 TYR 71 17.049 0.947 -2.800 551 HB3 TYR 71 HB1 TYR 71 17.900 -0.569 -2.524 552 HD1 TYR 71 HD1 TYR 71 20.449 -0.122 -1.692 553 HD2 TYR 71 HD2 TYR 71 17.133 2.462 -1.091 554 HE1 TYR 71 HE1 TYR 71 21.598 0.891 0.227 555 HE2 TYR 71 HE2 TYR 71 18.267 3.487 0.827 556 HH TYR 71 HH TYR 71 20.127 2.703 2.517 557 H VAL 72 HN VAL 72 19.630 0.138 -6.323 558 HA VAL 72 HA VAL 72 17.148 0.221 -7.716 559 HB VAL 72 HB VAL 72 19.766 -0.931 -8.694 560 HG11 VAL 72 HG11 VAL 72 17.392 0.205 -10.170 561 HG12 VAL 72 HG12 VAL 72 17.881 -1.489 -10.114 562 HG13 VAL 72 HG13 VAL 72 18.909 -0.301 -10.914 563 HG21 VAL 72 HG21 VAL 72 20.234 1.296 -9.601 564 HG22 VAL 72 HG22 VAL 72 20.117 1.328 -7.840 565 HG23 VAL 72 HG23 VAL 72 18.778 1.919 -8.824 566 H LEU 73 HN LEU 73 19.035 -2.295 -6.223 567 HA LEU 73 HA LEU 73 17.578 -4.444 -7.498 568 HB2 LEU 73 HB2 LEU 73 19.762 -4.272 -5.479 569 HB3 LEU 73 HB1 LEU 73 18.807 -5.738 -5.544 570 HG LEU 73 HG LEU 73 19.449 -6.072 -7.883 571 HD11 LEU 73 HD11 LEU 73 21.130 -3.599 -7.512 572 HD12 LEU 73 HD12 LEU 73 19.718 -3.750 -8.558 573 HD13 LEU 73 HD13 LEU 73 21.177 -4.679 -8.904 574 HD21 LEU 73 HD21 LEU 73 21.814 -6.571 -7.489 575 HD22 LEU 73 HD22 LEU 73 20.802 -7.063 -6.132 576 HD23 LEU 73 HD23 LEU 73 21.770 -5.593 -6.023 577 H ALA 74 HN ALA 74 16.814 -2.290 -5.155 578 HA ALA 74 HA ALA 74 15.359 -4.147 -3.451 579 HB1 ALA 74 HB1 ALA 74 16.533 -2.351 -2.343 580 HB2 ALA 74 HB2 ALA 74 14.794 -2.134 -2.142 581 HB3 ALA 74 HB3 ALA 74 15.677 -1.155 -3.313 582 H ARG 75 HN ARG 75 13.208 -4.405 -3.471 583 HA ARG 75 HA ARG 75 11.527 -2.608 -5.010 584 HB2 ARG 75 HB2 ARG 75 12.353 -4.318 -6.633 585 HB3 ARG 75 HB1 ARG 75 11.627 -5.567 -5.631 586 HG2 ARG 75 HG2 ARG 75 10.140 -5.138 -7.427 587 HG3 ARG 75 HG1 ARG 75 9.422 -4.440 -5.972 588 HD2 ARG 75 HD2 ARG 75 10.322 -2.236 -6.635 589 HD3 ARG 75 HD1 ARG 75 10.922 -2.959 -8.126 590 HE ARG 75 HE ARG 75 8.100 -3.341 -7.665 591 HH11 ARG 75 HH11 ARG 75 10.548 -1.291 -9.106 592 HH12 ARG 75 HH12 ARG 75 9.441 -0.529 -10.201 593 HH21 ARG 75 HH21 ARG 75 6.648 -2.356 -9.112 594 HH22 ARG 75 HH22 ARG 75 7.223 -1.134 -10.207 595 H ALA 76 HN ALA 76 9.621 -2.365 -4.041 596 HA ALA 76 HA ALA 76 8.906 -4.211 -1.890 597 HB1 ALA 76 HB1 ALA 76 7.778 -1.493 -2.559 598 HB2 ALA 76 HB2 ALA 76 8.987 -1.832 -1.320 599 HB3 ALA 76 HB3 ALA 76 7.353 -2.475 -1.158 600 H PHE 77 HN PHE 77 7.069 -5.406 -1.933 601 HA PHE 77 HA PHE 77 5.213 -5.036 -4.172 602 HB2 PHE 77 HB2 PHE 77 5.177 -7.439 -4.634 603 HB3 PHE 77 HB1 PHE 77 6.803 -6.804 -4.845 604 HD1 PHE 77 HD1 PHE 77 8.564 -7.337 -3.222 605 HD2 PHE 77 HD2 PHE 77 4.669 -9.027 -2.928 606 HE1 PHE 77 HE1 PHE 77 9.426 -9.045 -1.676 607 HE2 PHE 77 HE2 PHE 77 5.521 -10.736 -1.380 608 HZ PHE 77 HZ PHE 77 7.906 -10.746 -0.753 609 H LEU 78 HN LEU 78 3.112 -6.006 -3.772 610 HA LEU 78 HA LEU 78 2.615 -6.279 -0.889 611 HB2 LEU 78 HB2 LEU 78 1.610 -4.326 -2.305 612 HB3 LEU 78 HB1 LEU 78 0.490 -5.547 -2.873 613 HG LEU 78 HG LEU 78 0.868 -4.849 0.043 614 HD11 LEU 78 HD11 LEU 78 -1.288 -3.663 -0.190 615 HD12 LEU 78 HD12 LEU 78 -1.182 -3.880 -1.936 616 HD13 LEU 78 HD13 LEU 78 0.023 -2.908 -1.093 617 HD21 LEU 78 HD21 LEU 78 -1.254 -6.016 0.337 618 HD22 LEU 78 HD22 LEU 78 -0.032 -7.085 -0.352 619 HD23 LEU 78 HD23 LEU 78 -1.288 -6.402 -1.384 620 HA PRO 79 HA PRO 79 1.789 -10.510 -2.184 621 HB2 PRO 79 HB2 PRO 79 1.315 -11.428 0.348 622 HB3 PRO 79 HB1 PRO 79 2.933 -11.225 -0.331 623 HG2 PRO 79 HG2 PRO 79 1.401 -9.400 1.482 624 HG3 PRO 79 HG1 PRO 79 3.109 -9.872 1.553 625 HD2 PRO 79 HD2 PRO 79 2.340 -7.507 0.540 626 HD3 PRO 79 HD1 PRO 79 3.715 -8.407 -0.135 627 H ALA 80 HN ALA 80 -0.147 -10.497 -3.215 628 HA ALA 80 HA ALA 80 -2.574 -9.705 -1.878 629 HB1 ALA 80 HB1 ALA 80 -2.202 -9.188 -4.247 630 HB2 ALA 80 HB2 ALA 80 -3.660 -10.149 -4.003 631 HB3 ALA 80 HB3 ALA 80 -2.193 -10.913 -4.614 632 H GLN 81 HN GLN 81 -1.991 -11.468 -0.236 633 HA GLN 81 HA GLN 81 -3.290 -13.991 -1.036 634 HB2 GLN 81 HB2 GLN 81 -1.237 -13.544 1.142 635 HB3 GLN 81 HB1 GLN 81 -1.988 -15.082 0.743 636 HG2 GLN 81 HG2 GLN 81 -0.946 -15.037 -1.454 637 HG3 GLN 81 HG1 GLN 81 -0.218 -13.475 -1.086 638 HE21 GLN 81 HE21 GLN 81 1.034 -16.022 -1.771 639 HE22 GLN 81 HE22 GLN 81 2.108 -16.388 -0.463 640 H GLU 82 HN GLU 82 -5.312 -12.918 -0.564 641 HA GLU 82 HA GLU 82 -7.121 -12.452 0.716 642 HB2 GLU 82 HB2 GLU 82 -5.593 -14.143 2.693 643 HB3 GLU 82 HB1 GLU 82 -7.222 -13.551 2.987 644 HG2 GLU 82 HG2 GLU 82 -6.367 -15.361 0.742 645 HG3 GLU 82 HG1 GLU 82 -7.262 -15.835 2.186 646 H ILE 83 HN ILE 83 -5.940 -10.294 0.487 647 HA ILE 83 HA ILE 83 -4.588 -9.123 2.651 648 HB ILE 83 HB ILE 83 -6.219 -7.769 0.515 649 HG12 ILE 83 HG12 ILE 83 -3.277 -8.459 0.636 650 HG13 ILE 83 HG11 ILE 83 -4.474 -9.214 -0.413 651 HG21 ILE 83 HG21 ILE 83 -5.773 -6.280 2.389 652 HG22 ILE 83 HG22 ILE 83 -4.816 -5.806 0.984 653 HG23 ILE 83 HG23 ILE 83 -4.056 -6.679 2.315 654 HD11 ILE 83 HD11 ILE 83 -3.594 -6.343 -0.500 655 HD12 ILE 83 HD12 ILE 83 -4.811 -7.078 -1.544 656 HD13 ILE 83 HD13 ILE 83 -3.133 -7.614 -1.633 657 H GLN 84 HN GLN 84 -5.234 -8.040 4.401 658 HA GLN 84 HA GLN 84 -7.757 -8.425 5.553 659 HB2 GLN 84 HB2 GLN 84 -5.745 -6.249 6.164 660 HB3 GLN 84 HB1 GLN 84 -7.015 -6.819 7.236 661 HG2 GLN 84 HG2 GLN 84 -5.950 -8.908 7.539 662 HG3 GLN 84 HG1 GLN 84 -4.813 -8.593 6.227 663 HE21 GLN 84 HE21 GLN 84 -3.096 -7.188 6.566 664 HE22 GLN 84 HE22 GLN 84 -2.596 -6.718 8.153 665 H ASP 85 HN ASP 85 -9.506 -6.995 5.855 666 HA ASP 85 HA ASP 85 -9.987 -5.313 3.563 667 HB2 ASP 85 HB2 ASP 85 -12.268 -5.130 4.403 668 HB3 ASP 85 HB1 ASP 85 -11.746 -6.809 4.424 669 H GLY 86 HN GLY 86 -7.945 -4.345 5.287 670 HA2 GLY 86 HA2 GLY 86 -8.781 -1.648 5.599 671 HA3 GLY 86 HA1 GLY 86 -8.681 -2.445 7.162 672 H THR 87 HN THR 87 -6.519 -4.011 6.990 673 HA THR 87 HA THR 87 -4.360 -2.061 6.689 674 HB THR 87 HB THR 87 -4.216 -4.791 7.964 675 HG1 THR 87 HG1 THR 87 -5.812 -3.288 8.919 676 HG21 THR 87 HG21 THR 87 -2.287 -3.841 9.143 677 HG22 THR 87 HG22 THR 87 -2.511 -2.315 8.291 678 HG23 THR 87 HG23 THR 87 -2.056 -3.766 7.396 679 H VAL 88 HN VAL 88 -3.145 -2.134 4.919 680 HA VAL 88 HA VAL 88 -2.927 -4.669 3.459 681 HB VAL 88 HB VAL 88 -2.099 -3.344 1.568 682 HG11 VAL 88 HG11 VAL 88 -4.193 -2.144 1.058 683 HG12 VAL 88 HG12 VAL 88 -4.694 -2.354 2.737 684 HG13 VAL 88 HG13 VAL 88 -4.472 -3.762 1.699 685 HG21 VAL 88 HG21 VAL 88 -2.113 -0.922 1.613 686 HG22 VAL 88 HG22 VAL 88 -1.051 -1.545 2.882 687 HG23 VAL 88 HG23 VAL 88 -2.656 -0.935 3.292 688 H ARG 89 HN ARG 89 -0.977 -5.685 3.235 689 HA ARG 89 HA ARG 89 1.243 -4.421 4.692 690 HB2 ARG 89 HB2 ARG 89 0.193 -6.624 5.536 691 HB3 ARG 89 HB1 ARG 89 1.058 -7.368 4.195 692 HG2 ARG 89 HG2 ARG 89 3.144 -6.282 5.097 693 HG3 ARG 89 HG1 ARG 89 2.203 -5.883 6.533 694 HD2 ARG 89 HD2 ARG 89 3.366 -7.901 6.965 695 HD3 ARG 89 HD1 ARG 89 1.659 -8.287 6.764 696 HE ARG 89 HE ARG 89 3.321 -8.568 4.399 697 HH11 ARG 89 HH11 ARG 89 1.815 -10.140 7.134 698 HH12 ARG 89 HH12 ARG 89 1.938 -11.731 6.454 699 HH21 ARG 89 HH21 ARG 89 3.517 -10.680 3.498 700 HH22 ARG 89 HH22 ARG 89 2.894 -12.034 4.392 701 H ILE 90 HN ILE 90 2.764 -3.675 3.432 702 HA ILE 90 HA ILE 90 3.280 -4.974 0.851 703 HB ILE 90 HB ILE 90 4.180 -2.274 1.871 704 HG12 ILE 90 HG12 ILE 90 2.081 -3.026 -0.172 705 HG13 ILE 90 HG11 ILE 90 1.771 -2.370 1.430 706 HG21 ILE 90 HG21 ILE 90 4.508 -3.543 -0.844 707 HG22 ILE 90 HG22 ILE 90 5.792 -3.214 0.318 708 HG23 ILE 90 HG23 ILE 90 4.924 -1.879 -0.438 709 HD11 ILE 90 HD11 ILE 90 1.535 -0.670 -0.289 710 HD12 ILE 90 HD12 ILE 90 3.201 -0.948 -0.802 711 HD13 ILE 90 HD13 ILE 90 2.869 -0.291 0.800 712 H GLU 91 HN GLU 91 5.056 -6.167 0.597 713 HA GLU 91 HA GLU 91 6.974 -6.241 2.798 714 HB2 GLU 91 HB2 GLU 91 6.452 -8.129 0.504 715 HB3 GLU 91 HB1 GLU 91 7.795 -8.319 1.626 716 HG2 GLU 91 HG2 GLU 91 6.196 -8.459 3.484 717 HG3 GLU 91 HG1 GLU 91 4.870 -8.329 2.331 718 H VAL 92 HN VAL 92 8.908 -5.417 2.647 719 HA VAL 92 HA VAL 92 9.675 -4.226 0.080 720 HB VAL 92 HB VAL 92 10.741 -3.579 2.832 721 HG11 VAL 92 HG11 VAL 92 11.025 -2.152 0.191 722 HG12 VAL 92 HG12 VAL 92 12.289 -3.041 1.042 723 HG13 VAL 92 HG13 VAL 92 11.620 -1.567 1.743 724 HG21 VAL 92 HG21 VAL 92 8.586 -2.235 1.205 725 HG22 VAL 92 HG22 VAL 92 9.370 -1.501 2.603 726 HG23 VAL 92 HG23 VAL 92 8.423 -2.976 2.800 727 H LEU 93 HN LEU 93 10.819 -5.744 -0.981 728 HA LEU 93 HA LEU 93 12.893 -7.244 0.381 729 HB2 LEU 93 HB2 LEU 93 11.522 -8.329 -1.351 730 HB3 LEU 93 HB1 LEU 93 12.088 -7.166 -2.534 731 HG LEU 93 HG LEU 93 14.379 -8.048 -2.291 732 HD11 LEU 93 HD11 LEU 93 14.725 -10.162 -1.085 733 HD12 LEU 93 HD12 LEU 93 13.078 -10.061 -0.462 734 HD13 LEU 93 HD13 LEU 93 14.270 -8.844 -0.006 735 HD21 LEU 93 HD21 LEU 93 12.313 -10.157 -2.905 736 HD22 LEU 93 HD22 LEU 93 13.996 -10.163 -3.433 737 HD23 LEU 93 HD23 LEU 93 12.891 -8.923 -4.024 738 H GLU 94 HN GLU 94 14.348 -5.702 1.025 739 HA GLU 94 HA GLU 94 15.259 -3.587 -0.624 740 HB2 GLU 94 HB2 GLU 94 16.679 -4.745 1.769 741 HB3 GLU 94 HB1 GLU 94 16.846 -3.124 1.117 742 HG2 GLU 94 HG2 GLU 94 14.497 -2.672 1.743 743 HG3 GLU 94 HG1 GLU 94 14.417 -4.274 2.466 744 H GLY 95 HN GLY 95 16.265 -6.871 -0.143 745 HA2 GLY 95 HA2 GLY 95 17.439 -7.694 -2.233 746 HA3 GLY 95 HA1 GLY 95 18.600 -6.420 -1.877 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -23.039 2.631 17.434 2 H2 MET 1 HT2 MET 1 -21.862 3.817 17.684 3 H3 MET 1 HT3 MET 1 -21.622 2.623 16.513 4 HA MET 1 HA MET 1 -23.492 3.454 15.247 5 HB2 MET 1 HB2 MET 1 -23.481 5.694 17.284 6 HB3 MET 1 HB1 MET 1 -24.491 5.610 15.850 7 HG2 MET 1 HG2 MET 1 -24.599 3.749 18.211 8 HG3 MET 1 HG1 MET 1 -25.745 5.034 17.842 9 HE1 MET 1 HE1 MET 1 -27.482 3.708 14.606 10 HE2 MET 1 HE2 MET 1 -26.094 4.791 14.693 11 HE3 MET 1 HE3 MET 1 -27.436 4.985 15.821 12 H ALA 2 HN ALA 2 -21.390 3.302 14.168 13 HA ALA 2 HA ALA 2 -20.363 5.988 13.563 14 HB1 ALA 2 HB1 ALA 2 -18.085 5.106 13.412 15 HB2 ALA 2 HB2 ALA 2 -18.659 3.526 13.943 16 HB3 ALA 2 HB3 ALA 2 -18.742 4.906 15.037 17 H HIS 3 HN HIS 3 -22.120 3.662 12.419 18 HA HIS 3 HA HIS 3 -20.778 3.064 9.927 19 HB2 HIS 3 HB2 HIS 3 -23.480 2.357 11.054 20 HB3 HIS 3 HB1 HIS 3 -23.068 2.018 9.380 21 HD1 HIS 3 HD1 HIS 3 -23.150 -0.518 9.689 22 HD2 HIS 3 HD2 HIS 3 -20.439 1.371 12.209 23 HE1 HIS 3 HE1 HIS 3 -21.798 -2.359 10.724 24 HE2 HIS 3 HE2 HIS 3 -20.244 -1.208 12.332 25 H HIS 4 HN HIS 4 -21.603 3.666 7.856 26 HA HIS 4 HA HIS 4 -22.053 5.297 6.351 27 HB2 HIS 4 HB2 HIS 4 -24.336 5.830 8.260 28 HB3 HIS 4 HB1 HIS 4 -24.163 6.627 6.700 29 HD1 HIS 4 HD1 HIS 4 -25.971 3.995 8.127 30 HD2 HIS 4 HD2 HIS 4 -23.814 4.386 4.601 31 HE1 HIS 4 HE1 HIS 4 -26.842 2.196 6.603 32 HE2 HIS 4 HE2 HIS 4 -25.378 2.330 4.557 33 H HIS 5 HN HIS 5 -20.076 5.812 8.174 34 HA HIS 5 HA HIS 5 -19.821 8.638 7.930 35 HB2 HIS 5 HB2 HIS 5 -21.238 8.485 9.986 36 HB3 HIS 5 HB1 HIS 5 -19.955 7.557 10.755 37 HD1 HIS 5 HD1 HIS 5 -18.827 9.048 12.383 38 HD2 HIS 5 HD2 HIS 5 -19.772 11.031 8.855 39 HE1 HIS 5 HE1 HIS 5 -17.899 11.371 12.641 40 HE2 HIS 5 HE2 HIS 5 -18.551 12.576 10.527 41 H HIS 6 HN HIS 6 -18.677 5.595 9.269 42 HA HIS 6 HA HIS 6 -16.018 6.371 9.774 43 HB2 HIS 6 HB2 HIS 6 -17.053 4.271 10.626 44 HB3 HIS 6 HB1 HIS 6 -17.019 3.622 8.992 45 HD1 HIS 6 HD1 HIS 6 -15.211 1.936 8.874 46 HD2 HIS 6 HD2 HIS 6 -14.102 5.234 11.150 47 HE1 HIS 6 HE1 HIS 6 -12.832 1.515 9.561 48 HE2 HIS 6 HE2 HIS 6 -12.135 3.592 10.801 49 H HIS 7 HN HIS 7 -17.623 5.164 6.868 50 HA HIS 7 HA HIS 7 -15.378 6.269 5.366 51 HB2 HIS 7 HB2 HIS 7 -15.271 4.433 3.805 52 HB3 HIS 7 HB1 HIS 7 -15.035 3.811 5.428 53 HD1 HIS 7 HD1 HIS 7 -17.066 3.374 2.408 54 HD2 HIS 7 HD2 HIS 7 -17.355 2.357 6.435 55 HE1 HIS 7 HE1 HIS 7 -18.802 1.566 2.528 56 HE2 HIS 7 HE2 HIS 7 -19.056 1.059 4.978 57 H HIS 8 HN HIS 8 -16.126 7.820 4.151 58 HA HIS 8 HA HIS 8 -18.897 7.797 3.251 59 HB2 HIS 8 HB2 HIS 8 -18.397 10.071 2.372 60 HB3 HIS 8 HB1 HIS 8 -18.070 9.918 4.092 61 HD1 HIS 8 HD1 HIS 8 -16.253 10.122 0.775 62 HD2 HIS 8 HD2 HIS 8 -15.504 10.518 4.848 63 HE1 HIS 8 HE1 HIS 8 -13.899 10.983 0.954 64 HE2 HIS 8 HE2 HIS 8 -13.421 11.075 3.422 65 H VAL 9 HN VAL 9 -15.987 6.652 2.234 66 HA VAL 9 HA VAL 9 -16.400 6.979 -0.609 67 HB VAL 9 HB VAL 9 -14.124 6.923 0.423 68 HG11 VAL 9 HG11 VAL 9 -13.247 4.575 0.903 69 HG12 VAL 9 HG12 VAL 9 -14.942 4.110 1.044 70 HG13 VAL 9 HG13 VAL 9 -14.270 5.332 2.121 71 HG21 VAL 9 HG21 VAL 9 -14.423 6.465 -1.954 72 HG22 VAL 9 HG22 VAL 9 -14.662 4.753 -1.599 73 HG23 VAL 9 HG23 VAL 9 -13.101 5.510 -1.282 74 H ASP 10 HN ASP 10 -16.994 5.335 -2.024 75 HA ASP 10 HA ASP 10 -17.787 2.758 -0.861 76 HB2 ASP 10 HB2 ASP 10 -19.410 4.340 -2.875 77 HB3 ASP 10 HB1 ASP 10 -19.791 2.720 -2.306 78 H ASP 11 HN ASP 11 -18.521 1.396 -3.059 79 HA ASP 11 HA ASP 11 -16.082 0.897 -4.412 80 HB2 ASP 11 HB2 ASP 11 -18.904 -0.049 -4.906 81 HB3 ASP 11 HB1 ASP 11 -17.566 -0.530 -5.938 82 H ASP 12 HN ASP 12 -15.454 2.860 -5.357 83 HA ASP 12 HA ASP 12 -17.110 4.148 -7.327 84 HB2 ASP 12 HB2 ASP 12 -15.516 5.471 -6.027 85 HB3 ASP 12 HB1 ASP 12 -14.181 4.518 -6.661 86 H ASP 13 HN ASP 13 -14.173 2.164 -7.383 87 HA ASP 13 HA ASP 13 -14.867 1.395 -10.128 88 HB2 ASP 13 HB2 ASP 13 -13.109 3.087 -10.313 89 HB3 ASP 13 HB1 ASP 13 -12.095 2.174 -9.201 90 H LYS 14 HN LYS 14 -15.337 -0.670 -9.947 91 HA LYS 14 HA LYS 14 -13.400 -2.441 -8.636 92 HB2 LYS 14 HB2 LYS 14 -15.544 -1.910 -7.261 93 HB3 LYS 14 HB1 LYS 14 -16.368 -2.924 -8.432 94 HG2 LYS 14 HG2 LYS 14 -13.992 -3.894 -6.874 95 HG3 LYS 14 HG1 LYS 14 -15.634 -4.000 -6.247 96 HD2 LYS 14 HD2 LYS 14 -14.737 -5.193 -8.868 97 HD3 LYS 14 HD1 LYS 14 -14.814 -6.086 -7.347 98 HE2 LYS 14 HE2 LYS 14 -17.229 -5.562 -7.215 99 HE3 LYS 14 HE1 LYS 14 -17.119 -4.773 -8.787 100 HZ1 LYS 14 HZ1 LYS 14 -16.573 -7.635 -8.225 101 HZ2 LYS 14 HZ2 LYS 14 -16.403 -6.891 -9.734 102 HZ3 LYS 14 HZ3 LYS 14 -17.931 -7.014 -9.021 103 H MET 15 HN MET 15 -12.648 -2.820 -10.779 104 HA MET 15 HA MET 15 -14.442 -4.562 -12.341 105 HB2 MET 15 HB2 MET 15 -12.406 -2.575 -13.347 106 HB3 MET 15 HB1 MET 15 -13.101 -3.833 -14.358 107 HG2 MET 15 HG2 MET 15 -15.334 -2.902 -13.950 108 HG3 MET 15 HG1 MET 15 -14.604 -1.617 -12.990 109 HE1 MET 15 HE1 MET 15 -13.187 -3.220 -16.320 110 HE2 MET 15 HE2 MET 15 -13.916 -2.159 -17.525 111 HE3 MET 15 HE3 MET 15 -14.935 -3.216 -16.550 112 H GLY 16 HN GLY 16 -11.055 -3.812 -11.598 113 HA2 GLY 16 HA2 GLY 16 -10.158 -6.352 -12.647 114 HA3 GLY 16 HA1 GLY 16 -9.163 -5.127 -11.874 115 H GLY 17 HN GLY 17 -11.369 -5.233 -9.685 116 HA2 GLY 17 HA2 GLY 17 -11.386 -7.707 -8.443 117 HA3 GLY 17 HA1 GLY 17 -9.916 -6.900 -7.914 118 HA PRO 18 HA PRO 18 -13.869 -5.609 -5.463 119 HB2 PRO 18 HB2 PRO 18 -12.963 -6.707 -3.090 120 HB3 PRO 18 HB1 PRO 18 -14.143 -7.461 -4.166 121 HG2 PRO 18 HG2 PRO 18 -11.205 -7.953 -3.934 122 HG3 PRO 18 HG1 PRO 18 -12.522 -9.117 -4.169 123 HD2 PRO 18 HD2 PRO 18 -10.964 -8.366 -6.206 124 HD3 PRO 18 HD1 PRO 18 -12.704 -8.642 -6.435 125 H THR 19 HN THR 19 -13.845 -3.950 -3.878 126 HA THR 19 HA THR 19 -11.278 -2.583 -3.746 127 HB THR 19 HB THR 19 -12.574 -0.647 -2.927 128 HG1 THR 19 HG1 THR 19 -15.040 -1.684 -3.592 129 HG21 THR 19 HG21 THR 19 -12.217 -0.902 -5.324 130 HG22 THR 19 HG22 THR 19 -13.803 -0.197 -5.010 131 HG23 THR 19 HG23 THR 19 -13.666 -1.899 -5.449 132 H VAL 20 HN VAL 20 -10.193 -2.169 -1.893 133 HA VAL 20 HA VAL 20 -11.339 -3.235 0.596 134 HB VAL 20 HB VAL 20 -8.437 -3.031 -0.077 135 HG11 VAL 20 HG11 VAL 20 -8.101 -4.394 1.928 136 HG12 VAL 20 HG12 VAL 20 -9.837 -4.355 2.232 137 HG13 VAL 20 HG13 VAL 20 -8.896 -2.865 2.303 138 HG21 VAL 20 HG21 VAL 20 -9.481 -4.719 -1.482 139 HG22 VAL 20 HG22 VAL 20 -10.194 -5.474 -0.057 140 HG23 VAL 20 HG23 VAL 20 -8.444 -5.473 -0.271 141 H LEU 21 HN LEU 21 -11.795 -1.704 2.047 142 HA LEU 21 HA LEU 21 -10.930 0.978 1.737 143 HB2 LEU 21 HB2 LEU 21 -13.027 0.435 2.885 144 HB3 LEU 21 HB1 LEU 21 -12.135 -0.394 4.144 145 HG LEU 21 HG LEU 21 -11.021 1.807 4.672 146 HD11 LEU 21 HD11 LEU 21 -13.194 2.890 2.886 147 HD12 LEU 21 HD12 LEU 21 -11.460 2.943 2.565 148 HD13 LEU 21 HD13 LEU 21 -12.132 3.846 3.923 149 HD21 LEU 21 HD21 LEU 21 -12.955 2.678 5.906 150 HD22 LEU 21 HD22 LEU 21 -12.784 0.931 6.062 151 HD23 LEU 21 HD23 LEU 21 -14.009 1.605 4.985 152 H VAL 22 HN VAL 22 -8.792 1.196 1.737 153 HA VAL 22 HA VAL 22 -7.109 -0.023 3.697 154 HB VAL 22 HB VAL 22 -6.509 2.241 1.789 155 HG11 VAL 22 HG11 VAL 22 -4.600 0.404 3.240 156 HG12 VAL 22 HG12 VAL 22 -4.984 2.044 3.759 157 HG13 VAL 22 HG13 VAL 22 -4.182 1.775 2.211 158 HG21 VAL 22 HG21 VAL 22 -6.011 -0.719 1.529 159 HG22 VAL 22 HG22 VAL 22 -5.441 0.520 0.411 160 HG23 VAL 22 HG23 VAL 22 -7.171 0.234 0.603 161 H LYS 23 HN LYS 23 -6.888 0.634 5.690 162 HA LYS 23 HA LYS 23 -7.585 3.403 6.382 163 HB2 LYS 23 HB2 LYS 23 -7.251 1.012 8.207 164 HB3 LYS 23 HB1 LYS 23 -7.900 2.586 8.650 165 HG2 LYS 23 HG2 LYS 23 -9.875 2.239 7.433 166 HG3 LYS 23 HG1 LYS 23 -9.185 0.887 6.537 167 HD2 LYS 23 HD2 LYS 23 -9.002 -0.287 8.797 168 HD3 LYS 23 HD1 LYS 23 -10.071 0.977 9.407 169 HE2 LYS 23 HE2 LYS 23 -11.814 0.337 7.932 170 HE3 LYS 23 HE1 LYS 23 -10.739 -0.712 7.008 171 HZ1 LYS 23 HZ1 LYS 23 -11.715 -1.143 9.775 172 HZ2 LYS 23 HZ2 LYS 23 -10.513 -2.083 9.047 173 HZ3 LYS 23 HZ3 LYS 23 -12.078 -2.071 8.403 174 H ARG 24 HN ARG 24 -5.040 1.109 6.171 175 HA ARG 24 HA ARG 24 -3.036 3.080 6.554 176 HB2 ARG 24 HB2 ARG 24 -1.933 2.077 8.521 177 HB3 ARG 24 HB1 ARG 24 -3.516 2.733 8.917 178 HG2 ARG 24 HG2 ARG 24 -4.476 0.508 8.898 179 HG3 ARG 24 HG1 ARG 24 -2.925 -0.177 8.410 180 HD2 ARG 24 HD2 ARG 24 -3.334 -0.452 10.811 181 HD3 ARG 24 HD1 ARG 24 -1.920 0.554 10.492 182 HE ARG 24 HE ARG 24 -4.398 1.992 10.905 183 HH11 ARG 24 HH11 ARG 24 -1.500 0.694 12.380 184 HH12 ARG 24 HH12 ARG 24 -1.559 1.771 13.737 185 HH21 ARG 24 HH21 ARG 24 -4.481 3.399 12.695 186 HH22 ARG 24 HH22 ARG 24 -3.251 3.312 13.915 187 H PHE 25 HN PHE 25 -0.888 2.218 6.232 188 HA PHE 25 HA PHE 25 -0.890 -0.389 4.869 189 HB2 PHE 25 HB2 PHE 25 0.916 2.013 4.481 190 HB3 PHE 25 HB1 PHE 25 1.178 0.451 3.720 191 HD1 PHE 25 HD1 PHE 25 -1.431 3.090 4.048 192 HD2 PHE 25 HD2 PHE 25 0.352 0.101 1.605 193 HE1 PHE 25 HE1 PHE 25 -2.853 3.777 2.173 194 HE2 PHE 25 HE2 PHE 25 -1.070 0.783 -0.275 195 HZ PHE 25 HZ PHE 25 -2.679 2.626 0.002 196 H GLN 26 HN GLN 26 0.749 -1.852 5.370 197 HA GLN 26 HA GLN 26 2.597 -1.043 7.508 198 HB2 GLN 26 HB2 GLN 26 0.842 -2.460 8.490 199 HB3 GLN 26 HB1 GLN 26 1.178 -3.710 7.299 200 HG2 GLN 26 HG2 GLN 26 2.193 -4.238 9.439 201 HG3 GLN 26 HG1 GLN 26 3.420 -3.990 8.199 202 HE21 GLN 26 HE21 GLN 26 5.059 -3.439 9.576 203 HE22 GLN 26 HE22 GLN 26 5.075 -1.986 10.504 204 H LEU 27 HN LEU 27 4.673 -1.604 7.185 205 HA LEU 27 HA LEU 27 5.250 -2.999 4.674 206 HB2 LEU 27 HB2 LEU 27 6.872 -1.063 6.323 207 HB3 LEU 27 HB1 LEU 27 7.542 -1.965 4.985 208 HG LEU 27 HG LEU 27 7.057 0.230 4.213 209 HD11 LEU 27 HD11 LEU 27 5.433 -0.185 2.427 210 HD12 LEU 27 HD12 LEU 27 4.953 -1.677 3.233 211 HD13 LEU 27 HD13 LEU 27 6.594 -1.499 2.610 212 HD21 LEU 27 HD21 LEU 27 4.836 1.234 4.304 213 HD22 LEU 27 HD22 LEU 27 5.472 0.919 5.918 214 HD23 LEU 27 HD23 LEU 27 4.248 -0.148 5.230 215 H SER 28 HN SER 28 6.360 -4.845 4.649 216 HA SER 28 HA SER 28 7.622 -5.748 7.142 217 HB2 SER 28 HB2 SER 28 5.779 -7.299 5.315 218 HB3 SER 28 HB1 SER 28 6.856 -8.081 6.478 219 HG SER 28 HG SER 28 5.667 -6.235 7.843 220 H GLY 29 HN GLY 29 9.705 -6.117 6.861 221 HA2 GLY 29 HA2 GLY 29 11.418 -7.421 5.718 222 HA3 GLY 29 HA1 GLY 29 10.624 -7.019 4.202 223 H ASN 30 HN ASN 30 10.306 -4.258 5.692 224 HA ASN 30 HA ASN 30 12.641 -3.100 4.432 225 HB2 ASN 30 HB2 ASN 30 11.608 -0.924 5.059 226 HB3 ASN 30 HB1 ASN 30 10.540 -1.945 4.106 227 HD21 ASN 30 HD21 ASN 30 10.172 0.262 6.165 228 HD22 ASN 30 HD22 ASN 30 8.988 -0.388 7.248 229 H ARG 31 HN ARG 31 14.313 -2.155 5.407 230 HA ARG 31 HA ARG 31 14.318 -1.908 8.332 231 HB2 ARG 31 HB2 ARG 31 15.430 -4.019 7.820 232 HB3 ARG 31 HB1 ARG 31 16.477 -3.217 6.660 233 HG2 ARG 31 HG2 ARG 31 17.561 -3.745 8.830 234 HG3 ARG 31 HG1 ARG 31 17.617 -2.038 8.391 235 HD2 ARG 31 HD2 ARG 31 17.083 -2.405 10.772 236 HD3 ARG 31 HD1 ARG 31 15.817 -1.539 9.907 237 HE ARG 31 HE ARG 31 15.366 -4.370 10.017 238 HH11 ARG 31 HH11 ARG 31 15.046 -1.369 11.784 239 HH12 ARG 31 HH12 ARG 31 13.679 -1.908 12.710 240 HH21 ARG 31 HH21 ARG 31 13.567 -5.091 11.243 241 HH22 ARG 31 HH22 ARG 31 12.840 -4.025 12.402 242 H GLN 32 HN GLN 32 15.557 -0.986 5.197 243 HA GLN 32 HA GLN 32 17.381 0.995 6.064 244 HB2 GLN 32 HB2 GLN 32 15.912 0.650 3.451 245 HB3 GLN 32 HB1 GLN 32 17.179 1.836 3.709 246 HG2 GLN 32 HG2 GLN 32 17.461 -1.153 3.878 247 HG3 GLN 32 HG1 GLN 32 18.073 -0.106 2.599 248 HE21 GLN 32 HE21 GLN 32 19.465 -1.947 4.419 249 HE22 GLN 32 HE22 GLN 32 20.666 -0.995 5.217 250 H PHE 33 HN PHE 33 13.954 1.115 5.208 251 HA PHE 33 HA PHE 33 13.865 3.823 6.355 252 HB2 PHE 33 HB2 PHE 33 12.226 2.828 4.013 253 HB3 PHE 33 HB1 PHE 33 12.104 4.417 4.758 254 HD1 PHE 33 HD2 PHE 33 14.160 5.914 4.713 255 HD2 PHE 33 HD1 PHE 33 13.747 2.445 2.285 256 HE1 PHE 33 HE2 PHE 33 15.912 6.763 3.207 257 HE2 PHE 33 HE1 PHE 33 15.499 3.286 0.779 258 HZ PHE 33 HZ PHE 33 16.584 5.446 1.241 259 H ASP 34 HN ASP 34 12.275 4.218 7.793 260 HA ASP 34 HA ASP 34 10.978 1.972 8.986 261 HB2 ASP 34 HB2 ASP 34 10.104 3.569 10.601 262 HB3 ASP 34 HB1 ASP 34 11.810 3.885 10.313 263 H ASP 35 HN ASP 35 8.583 2.163 9.593 264 HA ASP 35 HA ASP 35 7.110 1.697 7.292 265 HB2 ASP 35 HB2 ASP 35 6.050 2.490 10.006 266 HB3 ASP 35 HB1 ASP 35 5.094 1.772 8.720 267 H ARG 36 HN ARG 36 6.924 4.555 9.411 268 HA ARG 36 HA ARG 36 4.958 5.906 7.969 269 HB2 ARG 36 HB2 ARG 36 5.637 6.497 10.260 270 HB3 ARG 36 HB1 ARG 36 7.163 7.113 9.639 271 HG2 ARG 36 HG2 ARG 36 5.964 8.805 8.353 272 HG3 ARG 36 HG1 ARG 36 4.430 8.186 8.964 273 HD2 ARG 36 HD2 ARG 36 5.108 10.145 10.217 274 HD3 ARG 36 HD1 ARG 36 5.142 8.715 11.247 275 HE ARG 36 HE ARG 36 7.678 9.331 10.033 276 HH11 ARG 36 HH11 ARG 36 5.570 9.941 12.751 277 HH12 ARG 36 HH12 ARG 36 6.850 10.466 13.794 278 HH21 ARG 36 HH21 ARG 36 9.372 10.020 11.393 279 HH22 ARG 36 HH22 ARG 36 9.021 10.514 13.020 280 H ARG 37 HN ARG 37 8.459 5.924 7.596 281 HA ARG 37 HA ARG 37 8.681 8.018 5.750 282 HB2 ARG 37 HB2 ARG 37 10.605 6.948 6.868 283 HB3 ARG 37 HB1 ARG 37 10.335 5.491 5.924 284 HG2 ARG 37 HG2 ARG 37 12.166 6.809 5.018 285 HG3 ARG 37 HG1 ARG 37 10.825 6.712 3.875 286 HD2 ARG 37 HD2 ARG 37 10.112 8.925 4.404 287 HD3 ARG 37 HD1 ARG 37 11.237 9.028 5.755 288 HE ARG 37 HE ARG 37 13.021 8.851 3.965 289 HH11 ARG 37 HH11 ARG 37 9.870 10.235 3.307 290 HH12 ARG 37 HH12 ARG 37 10.474 11.354 2.128 291 HH21 ARG 37 HH21 ARG 37 13.808 10.320 2.406 292 HH22 ARG 37 HH22 ARG 37 12.705 11.399 1.610 293 H LEU 38 HN LEU 38 7.825 4.640 5.347 294 HA LEU 38 HA LEU 38 7.734 4.888 2.463 295 HB2 LEU 38 HB2 LEU 38 7.355 2.645 4.405 296 HB3 LEU 38 HB1 LEU 38 6.744 2.476 2.774 297 HG LEU 38 HG LEU 38 8.768 1.937 1.994 298 HD11 LEU 38 HD11 LEU 38 9.867 4.297 3.499 299 HD12 LEU 38 HD12 LEU 38 9.459 4.212 1.783 300 HD13 LEU 38 HD13 LEU 38 10.808 3.272 2.415 301 HD21 LEU 38 HD21 LEU 38 9.547 2.045 4.894 302 HD22 LEU 38 HD22 LEU 38 10.503 1.292 3.619 303 HD23 LEU 38 HD23 LEU 38 8.908 0.658 4.013 304 H LEU 39 HN LEU 39 5.580 5.102 5.159 305 HA LEU 39 HA LEU 39 3.137 4.572 3.835 306 HB2 LEU 39 HB2 LEU 39 3.660 6.328 6.233 307 HB3 LEU 39 HB1 LEU 39 2.081 5.782 5.707 308 HG LEU 39 HG LEU 39 4.317 4.039 6.745 309 HD11 LEU 39 HD11 LEU 39 1.618 4.664 7.922 310 HD12 LEU 39 HD12 LEU 39 3.137 5.391 8.437 311 HD13 LEU 39 HD13 LEU 39 2.881 3.657 8.633 312 HD21 LEU 39 HD21 LEU 39 1.550 3.303 5.812 313 HD22 LEU 39 HD22 LEU 39 2.693 2.216 6.601 314 HD23 LEU 39 HD23 LEU 39 3.066 2.886 5.013 315 H ALA 40 HN ALA 40 5.066 7.471 4.202 316 HA ALA 40 HA ALA 40 3.217 9.356 3.276 317 HB1 ALA 40 HB1 ALA 40 6.212 9.372 2.919 318 HB2 ALA 40 HB2 ALA 40 5.337 9.967 4.330 319 HB3 ALA 40 HB3 ALA 40 5.142 10.766 2.770 320 H LEU 41 HN LEU 41 5.002 6.940 1.564 321 HA LEU 41 HA LEU 41 4.763 8.030 -1.045 322 HB2 LEU 41 HB2 LEU 41 5.139 5.230 -0.001 323 HB3 LEU 41 HB1 LEU 41 5.012 5.573 -1.717 324 HG LEU 41 HG LEU 41 7.033 7.141 -0.220 325 HD11 LEU 41 HD11 LEU 41 7.551 4.281 -0.978 326 HD12 LEU 41 HD12 LEU 41 7.185 4.786 0.666 327 HD13 LEU 41 HD13 LEU 41 8.633 5.389 -0.140 328 HD21 LEU 41 HD21 LEU 41 8.249 6.900 -2.269 329 HD22 LEU 41 HD22 LEU 41 6.583 7.313 -2.675 330 HD23 LEU 41 HD23 LEU 41 7.145 5.646 -2.835 331 H LEU 42 HN LEU 42 2.622 6.291 1.063 332 HA LEU 42 HA LEU 42 0.668 5.977 -1.117 333 HB2 LEU 42 HB2 LEU 42 0.651 4.669 1.601 334 HB3 LEU 42 HB1 LEU 42 -0.469 4.357 0.297 335 HG LEU 42 HG LEU 42 0.832 2.556 -0.018 336 HD11 LEU 42 HD11 LEU 42 2.608 4.611 -1.309 337 HD12 LEU 42 HD12 LEU 42 1.202 3.834 -2.039 338 HD13 LEU 42 HD13 LEU 42 2.629 2.877 -1.635 339 HD21 LEU 42 HD21 LEU 42 3.219 4.012 1.088 340 HD22 LEU 42 HD22 LEU 42 3.085 2.287 0.745 341 HD23 LEU 42 HD23 LEU 42 2.114 3.007 2.025 342 H HIS 43 HN HIS 43 1.399 8.304 0.765 343 HA HIS 43 HA HIS 43 -0.445 8.750 2.743 344 HB2 HIS 43 HB2 HIS 43 0.214 11.018 2.709 345 HB3 HIS 43 HB1 HIS 43 1.605 10.123 2.123 346 HD1 HIS 43 HD1 HIS 43 -0.473 12.959 1.330 347 HD2 HIS 43 HD2 HIS 43 1.770 10.221 -0.852 348 HE1 HIS 43 HE1 HIS 43 -0.115 14.017 -0.920 349 HE2 HIS 43 HE2 HIS 43 1.077 12.263 -2.278 350 H ASP 44 HN ASP 44 -1.032 8.918 -0.664 351 HA ASP 44 HA ASP 44 -3.436 10.549 -0.319 352 HB2 ASP 44 HB2 ASP 44 -3.412 10.680 -2.792 353 HB3 ASP 44 HB1 ASP 44 -1.903 11.239 -2.077 354 H LEU 45 HN LEU 45 -2.806 7.369 -0.080 355 HA LEU 45 HA LEU 45 -4.919 6.463 -1.869 356 HB2 LEU 45 HB2 LEU 45 -2.838 4.976 -0.300 357 HB3 LEU 45 HB1 LEU 45 -4.145 4.164 -1.138 358 HG LEU 45 HG LEU 45 -2.072 5.917 -2.462 359 HD11 LEU 45 HD11 LEU 45 -1.112 3.849 -1.595 360 HD12 LEU 45 HD12 LEU 45 -1.180 3.834 -3.358 361 HD13 LEU 45 HD13 LEU 45 -2.362 2.919 -2.420 362 HD21 LEU 45 HD21 LEU 45 -4.259 4.182 -3.600 363 HD22 LEU 45 HD22 LEU 45 -2.991 4.967 -4.541 364 HD23 LEU 45 HD23 LEU 45 -4.172 5.941 -3.667 365 HA PRO 46 HA PRO 46 -6.510 4.371 2.030 366 HB2 PRO 46 HB2 PRO 46 -5.660 4.970 4.493 367 HB3 PRO 46 HB1 PRO 46 -4.764 3.884 3.436 368 HG2 PRO 46 HG2 PRO 46 -4.247 6.758 4.052 369 HG3 PRO 46 HG1 PRO 46 -3.100 5.415 3.884 370 HD2 PRO 46 HD2 PRO 46 -3.640 7.254 1.903 371 HD3 PRO 46 HD1 PRO 46 -3.006 5.625 1.611 372 H GLY 47 HN GLY 47 -8.263 4.772 3.471 373 HA2 GLY 47 HA2 GLY 47 -9.862 6.288 4.423 374 HA3 GLY 47 HA1 GLY 47 -9.119 7.594 3.499 375 H GLN 48 HN GLN 48 -8.997 5.317 1.372 376 HA GLN 48 HA GLN 48 -11.759 5.561 0.397 377 HB2 GLN 48 HB2 GLN 48 -9.180 5.586 -1.176 378 HB3 GLN 48 HB1 GLN 48 -10.771 5.428 -1.905 379 HG2 GLN 48 HG2 GLN 48 -11.390 7.620 -1.009 380 HG3 GLN 48 HG1 GLN 48 -9.781 7.777 -0.308 381 HE21 GLN 48 HE21 GLN 48 -8.485 6.498 -2.591 382 HE22 GLN 48 HE22 GLN 48 -8.502 7.665 -3.867 383 H GLU 49 HN GLU 49 -12.294 3.743 -1.180 384 HA GLU 49 HA GLU 49 -11.130 1.255 -0.170 385 HB2 GLU 49 HB2 GLU 49 -13.647 1.667 -1.808 386 HB3 GLU 49 HB1 GLU 49 -13.085 0.134 -1.156 387 HG2 GLU 49 HG2 GLU 49 -13.260 1.163 1.123 388 HG3 GLU 49 HG1 GLU 49 -14.068 2.526 0.361 389 H LEU 50 HN LEU 50 -9.279 1.192 -1.273 390 HA LEU 50 HA LEU 50 -9.111 1.599 -4.121 391 HB2 LEU 50 HB2 LEU 50 -7.121 0.587 -2.093 392 HB3 LEU 50 HB1 LEU 50 -6.740 0.939 -3.769 393 HG LEU 50 HG LEU 50 -5.967 2.828 -2.710 394 HD11 LEU 50 HD11 LEU 50 -8.841 3.533 -3.261 395 HD12 LEU 50 HD12 LEU 50 -7.535 3.498 -4.446 396 HD13 LEU 50 HD13 LEU 50 -7.498 4.669 -3.126 397 HD21 LEU 50 HD21 LEU 50 -8.347 2.743 -0.868 398 HD22 LEU 50 HD22 LEU 50 -7.041 3.928 -0.817 399 HD23 LEU 50 HD23 LEU 50 -6.706 2.231 -0.476 400 H ASN 51 HN ASN 51 -9.154 0.026 -5.680 401 HA ASN 51 HA ASN 51 -9.688 -2.694 -4.864 402 HB2 ASN 51 HB2 ASN 51 -10.286 -3.146 -7.056 403 HB3 ASN 51 HB1 ASN 51 -10.616 -1.420 -6.979 404 HD21 ASN 51 HD21 ASN 51 -9.287 0.002 -8.093 405 HD22 ASN 51 HD22 ASN 51 -8.169 -0.529 -9.300 406 H LEU 52 HN LEU 52 -8.387 -4.513 -5.850 407 HA LEU 52 HA LEU 52 -5.908 -4.557 -4.694 408 HB2 LEU 52 HB2 LEU 52 -7.027 -6.189 -6.955 409 HB3 LEU 52 HB1 LEU 52 -5.412 -6.477 -6.340 410 HG LEU 52 HG LEU 52 -6.868 -8.059 -5.322 411 HD11 LEU 52 HD11 LEU 52 -6.591 -7.576 -2.966 412 HD12 LEU 52 HD12 LEU 52 -6.308 -5.875 -3.327 413 HD13 LEU 52 HD13 LEU 52 -5.156 -7.095 -3.872 414 HD21 LEU 52 HD21 LEU 52 -8.831 -7.438 -4.019 415 HD22 LEU 52 HD22 LEU 52 -8.991 -6.922 -5.697 416 HD23 LEU 52 HD23 LEU 52 -8.588 -5.745 -4.447 417 H SER 53 HN SER 53 -6.586 -3.668 -8.069 418 HA SER 53 HA SER 53 -3.952 -3.673 -9.005 419 HB2 SER 53 HB2 SER 53 -6.147 -1.778 -9.867 420 HB3 SER 53 HB1 SER 53 -4.754 -2.290 -10.818 421 HG SER 53 HG SER 53 -7.117 -3.427 -10.708 422 H GLN 54 HN GLN 54 -5.769 -1.201 -7.280 423 HA GLN 54 HA GLN 54 -3.756 0.810 -7.499 424 HB2 GLN 54 HB2 GLN 54 -6.330 0.497 -6.060 425 HB3 GLN 54 HB1 GLN 54 -5.197 1.659 -5.383 426 HG2 GLN 54 HG2 GLN 54 -5.051 2.648 -7.715 427 HG3 GLN 54 HG1 GLN 54 -6.435 1.636 -8.122 428 HE21 GLN 54 HE21 GLN 54 -8.438 2.112 -7.241 429 HE22 GLN 54 HE22 GLN 54 -8.773 3.617 -6.465 430 H LEU 55 HN LEU 55 -4.621 -1.595 -5.062 431 HA LEU 55 HA LEU 55 -2.824 -0.832 -3.098 432 HB2 LEU 55 HB2 LEU 55 -4.081 -3.444 -3.816 433 HB3 LEU 55 HB1 LEU 55 -2.893 -3.369 -2.538 434 HG LEU 55 HG LEU 55 -4.305 -1.578 -1.479 435 HD11 LEU 55 HD11 LEU 55 -5.558 -0.938 -3.400 436 HD12 LEU 55 HD12 LEU 55 -6.636 -1.472 -2.105 437 HD13 LEU 55 HD13 LEU 55 -6.309 -2.533 -3.477 438 HD21 LEU 55 HD21 LEU 55 -4.283 -3.832 -0.601 439 HD22 LEU 55 HD22 LEU 55 -5.482 -4.331 -1.792 440 HD23 LEU 55 HD23 LEU 55 -5.919 -3.177 -0.533 441 H HIS 56 HN HIS 56 -2.366 -3.034 -5.853 442 HA HIS 56 HA HIS 56 0.308 -3.709 -5.153 443 HB2 HIS 56 HB2 HIS 56 -1.210 -3.938 -7.749 444 HB3 HIS 56 HB1 HIS 56 0.472 -4.427 -7.592 445 HD1 HIS 56 HD1 HIS 56 0.965 -6.620 -6.401 446 HD2 HIS 56 HD2 HIS 56 -3.060 -5.596 -6.397 447 HE1 HIS 56 HE1 HIS 56 -0.252 -8.674 -5.614 448 HE2 HIS 56 HE2 HIS 56 -2.686 -8.105 -5.899 449 H ALA 57 HN ALA 57 -1.125 -1.113 -7.008 450 HA ALA 57 HA ALA 57 1.236 -0.143 -8.223 451 HB1 ALA 57 HB1 ALA 57 -0.005 1.932 -8.555 452 HB2 ALA 57 HB2 ALA 57 -1.241 1.386 -7.421 453 HB3 ALA 57 HB3 ALA 57 -1.006 0.534 -8.946 454 H ALA 58 HN ALA 58 -0.133 0.189 -5.051 455 HA ALA 58 HA ALA 58 1.337 2.385 -4.103 456 HB1 ALA 58 HB1 ALA 58 0.803 1.527 -1.875 457 HB2 ALA 58 HB2 ALA 58 0.288 -0.004 -2.586 458 HB3 ALA 58 HB3 ALA 58 -0.603 1.477 -2.937 459 H ALA 59 HN ALA 59 2.061 -1.055 -4.247 460 HA ALA 59 HA ALA 59 4.410 -0.993 -2.679 461 HB1 ALA 59 HB1 ALA 59 4.856 -3.204 -3.624 462 HB2 ALA 59 HB2 ALA 59 3.583 -2.951 -4.819 463 HB3 ALA 59 HB3 ALA 59 3.178 -3.051 -3.106 464 H ALA 60 HN ALA 60 3.794 -0.484 -6.095 465 HA ALA 60 HA ALA 60 6.453 -0.651 -7.011 466 HB1 ALA 60 HB1 ALA 60 5.657 0.512 -9.001 467 HB2 ALA 60 HB2 ALA 60 4.168 0.946 -8.161 468 HB3 ALA 60 HB3 ALA 60 4.522 -0.746 -8.511 469 H ARG 61 HN ARG 61 4.567 1.979 -5.660 470 HA ARG 61 HA ARG 61 6.263 4.133 -6.218 471 HB2 ARG 61 HB2 ARG 61 4.589 3.703 -3.736 472 HB3 ARG 61 HB1 ARG 61 5.224 5.242 -4.296 473 HG2 ARG 61 HG2 ARG 61 3.806 5.157 -6.246 474 HG3 ARG 61 HG1 ARG 61 3.227 3.555 -5.782 475 HD2 ARG 61 HD2 ARG 61 2.298 4.482 -3.726 476 HD3 ARG 61 HD1 ARG 61 2.889 6.078 -4.170 477 HE ARG 61 HE ARG 61 1.120 4.895 -6.116 478 HH11 ARG 61 HH11 ARG 61 1.393 6.856 -3.240 479 HH12 ARG 61 HH12 ARG 61 -0.154 7.630 -3.447 480 HH21 ARG 61 HH21 ARG 61 -0.955 5.886 -6.380 481 HH22 ARG 61 HH22 ARG 61 -1.488 7.062 -5.221 482 H ILE 62 HN ILE 62 6.320 1.715 -3.696 483 HA ILE 62 HA ILE 62 8.344 3.049 -2.148 484 HB ILE 62 HB ILE 62 7.220 0.257 -1.901 485 HG12 ILE 62 HG12 ILE 62 6.520 2.796 -0.418 486 HG13 ILE 62 HG11 ILE 62 5.532 2.038 -1.661 487 HG21 ILE 62 HG21 ILE 62 9.361 0.390 -0.803 488 HG22 ILE 62 HG22 ILE 62 8.085 0.370 0.420 489 HG23 ILE 62 HG23 ILE 62 8.893 1.887 0.008 490 HD11 ILE 62 HD11 ILE 62 6.299 0.736 0.926 491 HD12 ILE 62 HD12 ILE 62 5.152 0.137 -0.275 492 HD13 ILE 62 HD13 ILE 62 4.791 1.598 0.645 493 H GLY 63 HN GLY 63 8.180 0.318 -4.377 494 HA2 GLY 63 HA2 GLY 63 10.818 -0.594 -4.061 495 HA3 GLY 63 HA1 GLY 63 9.843 -0.794 -5.509 496 H ASP 64 HN ASP 64 9.460 1.818 -6.284 497 HA ASP 64 HA ASP 64 12.006 2.439 -7.424 498 HB2 ASP 64 HB2 ASP 64 9.301 3.755 -7.573 499 HB3 ASP 64 HB1 ASP 64 10.723 4.493 -8.303 500 H PHE 65 HN PHE 65 10.244 3.524 -4.649 501 HA PHE 65 HA PHE 65 11.553 5.943 -4.119 502 HB2 PHE 65 HB2 PHE 65 9.598 5.214 -2.834 503 HB3 PHE 65 HB1 PHE 65 10.509 3.859 -2.177 504 HD1 PHE 65 HD1 PHE 65 10.274 7.552 -2.215 505 HD2 PHE 65 HD2 PHE 65 11.843 4.113 -0.259 506 HE1 PHE 65 HE1 PHE 65 10.985 8.956 -0.324 507 HE2 PHE 65 HE2 PHE 65 12.554 5.512 1.635 508 HZ PHE 65 HZ PHE 65 12.115 7.926 1.616 509 H TYR 66 HN TYR 66 12.333 2.634 -3.134 510 HA TYR 66 HA TYR 66 14.725 3.178 -1.789 511 HB2 TYR 66 HB2 TYR 66 13.490 0.788 -3.055 512 HB3 TYR 66 HB1 TYR 66 15.207 0.710 -2.689 513 HD1 TYR 66 HD2 TYR 66 11.930 1.518 -1.087 514 HD2 TYR 66 HD1 TYR 66 15.902 0.086 -0.592 515 HE1 TYR 66 HE2 TYR 66 11.421 0.928 1.244 516 HE2 TYR 66 HE1 TYR 66 15.413 -0.505 1.734 517 HH TYR 66 HH TYR 66 13.886 -0.588 3.330 518 H GLN 67 HN GLN 67 14.144 2.355 -5.201 519 HA GLN 67 HA GLN 67 16.822 2.237 -5.996 520 HB2 GLN 67 HB2 GLN 67 14.458 3.118 -7.653 521 HB3 GLN 67 HB1 GLN 67 16.016 2.601 -8.278 522 HG2 GLN 67 HG2 GLN 67 15.561 0.396 -7.077 523 HG3 GLN 67 HG1 GLN 67 13.899 0.967 -6.938 524 HE21 GLN 67 HE21 GLN 67 14.103 2.416 -9.502 525 HE22 GLN 67 HE22 GLN 67 13.984 1.199 -10.724 526 H GLU 68 HN GLU 68 14.610 4.966 -5.767 527 HA GLU 68 HA GLU 68 16.242 6.904 -6.986 528 HB2 GLU 68 HB2 GLU 68 13.770 7.057 -6.313 529 HB3 GLU 68 HB1 GLU 68 14.345 7.438 -4.700 530 HG2 GLU 68 HG2 GLU 68 15.304 9.042 -7.022 531 HG3 GLU 68 HG1 GLU 68 13.698 9.333 -6.363 532 H LYS 69 HN LYS 69 16.120 5.591 -3.743 533 HA LYS 69 HA LYS 69 18.012 7.505 -2.704 534 HB2 LYS 69 HB2 LYS 69 16.970 4.971 -1.434 535 HB3 LYS 69 HB1 LYS 69 17.819 6.273 -0.617 536 HG2 LYS 69 HG2 LYS 69 15.076 6.361 -1.840 537 HG3 LYS 69 HG1 LYS 69 15.500 6.489 -0.134 538 HD2 LYS 69 HD2 LYS 69 16.617 8.609 -0.551 539 HD3 LYS 69 HD1 LYS 69 16.268 8.473 -2.277 540 HE2 LYS 69 HE2 LYS 69 13.836 8.383 -1.660 541 HE3 LYS 69 HE1 LYS 69 14.308 8.813 -0.018 542 HZ1 LYS 69 HZ1 LYS 69 14.724 10.428 -2.476 543 HZ2 LYS 69 HZ2 LYS 69 15.353 10.833 -0.955 544 HZ3 LYS 69 HZ3 LYS 69 13.680 10.782 -1.188 545 H GLY 70 HN GLY 70 18.375 4.993 -4.743 546 HA2 GLY 70 HA2 GLY 70 20.609 4.551 -5.534 547 HA3 GLY 70 HA1 GLY 70 21.167 4.629 -3.874 548 H TYR 71 HN TYR 71 18.442 2.974 -3.537 549 HA TYR 71 HA TYR 71 19.859 0.429 -3.549 550 HB2 TYR 71 HB2 TYR 71 17.077 1.083 -2.551 551 HB3 TYR 71 HB1 TYR 71 17.964 -0.407 -2.252 552 HD1 TYR 71 HD1 TYR 71 20.096 -0.265 -0.875 553 HD2 TYR 71 HD2 TYR 71 17.306 2.927 -1.162 554 HE1 TYR 71 HE1 TYR 71 21.039 0.735 1.160 555 HE2 TYR 71 HE2 TYR 71 18.236 3.939 0.867 556 HH TYR 71 HH TYR 71 21.186 2.861 2.266 557 H VAL 72 HN VAL 72 19.912 0.421 -5.911 558 HA VAL 72 HA VAL 72 17.539 0.398 -7.465 559 HB VAL 72 HB VAL 72 20.279 -0.635 -8.214 560 HG11 VAL 72 HG11 VAL 72 18.524 -1.376 -9.741 561 HG12 VAL 72 HG12 VAL 72 19.582 -0.197 -10.514 562 HG13 VAL 72 HG13 VAL 72 17.986 0.292 -9.942 563 HG21 VAL 72 HG21 VAL 72 20.345 1.687 -7.413 564 HG22 VAL 72 HG22 VAL 72 19.097 2.117 -8.583 565 HG23 VAL 72 HG23 VAL 72 20.680 1.580 -9.142 566 H LEU 73 HN LEU 73 19.387 -2.089 -5.853 567 HA LEU 73 HA LEU 73 17.843 -4.202 -7.129 568 HB2 LEU 73 HB2 LEU 73 20.096 -4.246 -5.147 569 HB3 LEU 73 HB1 LEU 73 19.218 -5.690 -5.609 570 HG LEU 73 HG LEU 73 20.793 -3.926 -7.481 571 HD11 LEU 73 HD11 LEU 73 21.363 -6.676 -6.390 572 HD12 LEU 73 HD12 LEU 73 22.220 -5.193 -5.975 573 HD13 LEU 73 HD13 LEU 73 22.318 -5.838 -7.612 574 HD21 LEU 73 HD21 LEU 73 20.397 -5.736 -9.110 575 HD22 LEU 73 HD22 LEU 73 18.911 -4.926 -8.622 576 HD23 LEU 73 HD23 LEU 73 19.311 -6.509 -7.955 577 H ALA 74 HN ALA 74 16.711 -2.150 -5.254 578 HA ALA 74 HA ALA 74 15.506 -4.045 -3.351 579 HB1 ALA 74 HB1 ALA 74 16.827 -2.446 -2.132 580 HB2 ALA 74 HB2 ALA 74 15.117 -2.094 -1.871 581 HB3 ALA 74 HB3 ALA 74 16.061 -1.107 -2.986 582 H ARG 75 HN ARG 75 13.463 -4.450 -3.779 583 HA ARG 75 HA ARG 75 11.793 -2.297 -4.888 584 HB2 ARG 75 HB2 ARG 75 11.696 -5.219 -5.672 585 HB3 ARG 75 HB1 ARG 75 10.531 -4.005 -6.174 586 HG2 ARG 75 HG2 ARG 75 13.457 -4.045 -6.869 587 HG3 ARG 75 HG1 ARG 75 12.126 -4.485 -7.937 588 HD2 ARG 75 HD2 ARG 75 12.649 -1.764 -6.744 589 HD3 ARG 75 HD1 ARG 75 12.915 -2.237 -8.420 590 HE ARG 75 HE ARG 75 10.203 -2.624 -7.567 591 HH11 ARG 75 HH11 ARG 75 12.495 -0.353 -8.900 592 HH12 ARG 75 HH12 ARG 75 11.277 0.748 -9.479 593 HH21 ARG 75 HH21 ARG 75 8.589 -1.188 -8.331 594 HH22 ARG 75 HH22 ARG 75 9.054 0.275 -9.149 595 H ALA 76 HN ALA 76 9.413 -2.886 -4.586 596 HA ALA 76 HA ALA 76 8.996 -4.397 -2.103 597 HB1 ALA 76 HB1 ALA 76 7.803 -1.690 -2.698 598 HB2 ALA 76 HB2 ALA 76 9.065 -2.020 -1.513 599 HB3 ALA 76 HB3 ALA 76 7.448 -2.689 -1.289 600 H PHE 77 HN PHE 77 7.270 -5.730 -2.177 601 HA PHE 77 HA PHE 77 5.361 -5.340 -4.379 602 HB2 PHE 77 HB2 PHE 77 5.316 -7.767 -4.772 603 HB3 PHE 77 HB1 PHE 77 6.921 -7.105 -5.050 604 HD1 PHE 77 HD1 PHE 77 8.739 -7.560 -3.468 605 HD2 PHE 77 HD2 PHE 77 4.901 -9.349 -3.031 606 HE1 PHE 77 HE1 PHE 77 9.694 -9.221 -1.928 607 HE2 PHE 77 HE2 PHE 77 5.850 -11.013 -1.489 608 HZ PHE 77 HZ PHE 77 8.235 -10.961 -0.941 609 H LEU 78 HN LEU 78 3.248 -5.870 -3.938 610 HA LEU 78 HA LEU 78 2.648 -6.224 -1.108 611 HB2 LEU 78 HB2 LEU 78 1.607 -4.403 -2.582 612 HB3 LEU 78 HB1 LEU 78 0.672 -5.688 -3.319 613 HG LEU 78 HG LEU 78 0.580 -5.306 -0.348 614 HD11 LEU 78 HD11 LEU 78 0.137 -3.102 -1.271 615 HD12 LEU 78 HD12 LEU 78 -1.349 -3.823 -0.651 616 HD13 LEU 78 HD13 LEU 78 -1.041 -3.789 -2.388 617 HD21 LEU 78 HD21 LEU 78 -0.416 -7.299 -1.359 618 HD22 LEU 78 HD22 LEU 78 -1.426 -6.271 -2.377 619 HD23 LEU 78 HD23 LEU 78 -1.632 -6.257 -0.624 620 HA PRO 79 HA PRO 79 2.448 -10.609 -2.053 621 HB2 PRO 79 HB2 PRO 79 1.457 -11.263 0.458 622 HB3 PRO 79 HB1 PRO 79 3.166 -11.129 0.037 623 HG2 PRO 79 HG2 PRO 79 1.378 -9.120 1.351 624 HG3 PRO 79 HG1 PRO 79 3.069 -9.518 1.701 625 HD2 PRO 79 HD2 PRO 79 2.418 -7.329 0.341 626 HD3 PRO 79 HD1 PRO 79 3.851 -8.280 -0.103 627 H ALA 80 HN ALA 80 -0.138 -8.808 -0.520 628 HA ALA 80 HA ALA 80 -2.378 -8.802 -0.742 629 HB1 ALA 80 HB1 ALA 80 -1.847 -10.369 -3.264 630 HB2 ALA 80 HB2 ALA 80 -1.939 -8.614 -3.126 631 HB3 ALA 80 HB3 ALA 80 -3.374 -9.596 -2.832 632 H GLN 81 HN GLN 81 -2.375 -11.866 -2.375 633 HA GLN 81 HA GLN 81 -3.116 -13.932 -1.838 634 HB2 GLN 81 HB2 GLN 81 -2.546 -13.185 1.035 635 HB3 GLN 81 HB1 GLN 81 -2.812 -14.807 0.414 636 HG2 GLN 81 HG2 GLN 81 -0.490 -12.994 -0.203 637 HG3 GLN 81 HG1 GLN 81 -0.465 -14.446 0.791 638 HE21 GLN 81 HE21 GLN 81 -0.455 -13.165 -2.410 639 HE22 GLN 81 HE22 GLN 81 -0.186 -14.663 -3.236 640 H GLU 82 HN GLU 82 -4.198 -11.919 0.884 641 HA GLU 82 HA GLU 82 -6.972 -12.256 0.006 642 HB2 GLU 82 HB2 GLU 82 -6.510 -13.997 1.718 643 HB3 GLU 82 HB1 GLU 82 -6.041 -12.734 2.844 644 HG2 GLU 82 HG2 GLU 82 -8.326 -11.785 2.635 645 HG3 GLU 82 HG1 GLU 82 -8.765 -13.188 1.661 646 H ILE 83 HN ILE 83 -4.796 -10.782 2.387 647 HA ILE 83 HA ILE 83 -4.473 -8.633 3.022 648 HB ILE 83 HB ILE 83 -6.490 -7.941 0.900 649 HG12 ILE 83 HG12 ILE 83 -3.474 -7.832 1.005 650 HG13 ILE 83 HG11 ILE 83 -4.456 -8.881 -0.010 651 HG21 ILE 83 HG21 ILE 83 -6.476 -6.214 2.615 652 HG22 ILE 83 HG22 ILE 83 -5.695 -5.625 1.147 653 HG23 ILE 83 HG23 ILE 83 -4.718 -6.121 2.530 654 HD11 ILE 83 HD11 ILE 83 -5.273 -6.924 -1.221 655 HD12 ILE 83 HD12 ILE 83 -3.515 -7.055 -1.289 656 HD13 ILE 83 HD13 ILE 83 -4.272 -5.888 -0.205 657 H GLN 84 HN GLN 84 -5.254 -7.310 4.596 658 HA GLN 84 HA GLN 84 -7.600 -8.332 5.966 659 HB2 GLN 84 HB2 GLN 84 -5.669 -6.193 6.862 660 HB3 GLN 84 HB1 GLN 84 -6.758 -7.137 7.868 661 HG2 GLN 84 HG2 GLN 84 -5.485 -9.120 7.518 662 HG3 GLN 84 HG1 GLN 84 -4.495 -8.330 6.293 663 HE21 GLN 84 HE21 GLN 84 -2.948 -6.825 6.928 664 HE22 GLN 84 HE22 GLN 84 -2.373 -6.740 8.555 665 H ASP 85 HN ASP 85 -9.225 -6.900 6.844 666 HA ASP 85 HA ASP 85 -10.036 -4.866 5.006 667 HB2 ASP 85 HB2 ASP 85 -11.715 -6.261 6.007 668 HB3 ASP 85 HB1 ASP 85 -11.204 -5.743 7.595 669 H GLY 86 HN GLY 86 -8.306 -3.381 5.153 670 HA2 GLY 86 HA2 GLY 86 -8.465 -1.034 6.071 671 HA3 GLY 86 HA1 GLY 86 -8.330 -1.802 7.643 672 H THR 87 HN THR 87 -6.351 -3.473 7.580 673 HA THR 87 HA THR 87 -4.050 -1.801 6.958 674 HB THR 87 HB THR 87 -4.073 -4.473 8.353 675 HG1 THR 87 HG1 THR 87 -5.205 -2.289 9.224 676 HG21 THR 87 HG21 THR 87 -1.886 -3.774 7.551 677 HG22 THR 87 HG22 THR 87 -1.949 -3.662 9.310 678 HG23 THR 87 HG23 THR 87 -2.081 -2.203 8.329 679 H VAL 88 HN VAL 88 -3.017 -2.054 5.103 680 HA VAL 88 HA VAL 88 -3.017 -4.713 3.845 681 HB VAL 88 HB VAL 88 -2.436 -3.597 1.747 682 HG11 VAL 88 HG11 VAL 88 -4.549 -2.380 1.388 683 HG12 VAL 88 HG12 VAL 88 -4.822 -2.381 3.133 684 HG13 VAL 88 HG13 VAL 88 -4.784 -3.904 2.244 685 HG21 VAL 88 HG21 VAL 88 -2.379 -1.186 1.542 686 HG22 VAL 88 HG22 VAL 88 -1.183 -1.713 2.731 687 HG23 VAL 88 HG23 VAL 88 -2.709 -1.006 3.266 688 H ARG 89 HN ARG 89 -1.107 -5.771 3.588 689 HA ARG 89 HA ARG 89 1.237 -4.391 4.710 690 HB2 ARG 89 HB2 ARG 89 0.185 -6.552 5.773 691 HB3 ARG 89 HB1 ARG 89 1.108 -7.362 4.512 692 HG2 ARG 89 HG2 ARG 89 3.150 -6.345 5.309 693 HG3 ARG 89 HG1 ARG 89 2.248 -5.479 6.554 694 HD2 ARG 89 HD2 ARG 89 2.407 -8.468 6.281 695 HD3 ARG 89 HD1 ARG 89 3.357 -7.496 7.400 696 HE ARG 89 HE ARG 89 1.222 -6.867 8.462 697 HH11 ARG 89 HH11 ARG 89 1.324 -9.758 6.484 698 HH12 ARG 89 HH12 ARG 89 0.002 -10.518 7.305 699 HH21 ARG 89 HH21 ARG 89 -0.523 -7.874 9.545 700 HH22 ARG 89 HH22 ARG 89 -1.042 -9.454 9.054 701 H ILE 90 HN ILE 90 2.935 -4.069 3.505 702 HA ILE 90 HA ILE 90 3.127 -5.466 0.913 703 HB ILE 90 HB ILE 90 4.235 -2.755 1.693 704 HG12 ILE 90 HG12 ILE 90 1.927 -3.485 -0.123 705 HG13 ILE 90 HG11 ILE 90 1.793 -2.735 1.463 706 HG21 ILE 90 HG21 ILE 90 5.653 -3.862 0.063 707 HG22 ILE 90 HG22 ILE 90 4.788 -2.523 -0.691 708 HG23 ILE 90 HG23 ILE 90 4.255 -4.182 -0.965 709 HD11 ILE 90 HD11 ILE 90 1.505 -1.111 -0.318 710 HD12 ILE 90 HD12 ILE 90 3.100 -1.515 -0.955 711 HD13 ILE 90 HD13 ILE 90 2.948 -0.760 0.632 712 H GLU 91 HN GLU 91 4.992 -6.567 0.469 713 HA GLU 91 HA GLU 91 6.937 -6.712 2.643 714 HB2 GLU 91 HB2 GLU 91 6.461 -8.504 0.261 715 HB3 GLU 91 HB1 GLU 91 7.798 -8.713 1.384 716 HG2 GLU 91 HG2 GLU 91 6.145 -8.938 3.220 717 HG3 GLU 91 HG1 GLU 91 4.865 -8.884 2.013 718 H VAL 92 HN VAL 92 8.788 -5.730 2.532 719 HA VAL 92 HA VAL 92 9.602 -4.543 -0.017 720 HB VAL 92 HB VAL 92 10.597 -3.941 2.777 721 HG11 VAL 92 HG11 VAL 92 11.110 -2.540 0.153 722 HG12 VAL 92 HG12 VAL 92 12.282 -3.466 1.092 723 HG13 VAL 92 HG13 VAL 92 11.627 -1.961 1.737 724 HG21 VAL 92 HG21 VAL 92 8.293 -3.254 2.554 725 HG22 VAL 92 HG22 VAL 92 8.642 -2.463 1.017 726 HG23 VAL 92 HG23 VAL 92 9.328 -1.824 2.512 727 H LEU 93 HN LEU 93 11.204 -5.393 -1.123 728 HA LEU 93 HA LEU 93 13.050 -7.227 0.245 729 HB2 LEU 93 HB2 LEU 93 11.682 -8.227 -1.551 730 HB3 LEU 93 HB1 LEU 93 12.327 -7.057 -2.684 731 HG LEU 93 HG LEU 93 14.567 -8.013 -2.419 732 HD11 LEU 93 HD11 LEU 93 13.213 -10.001 -0.601 733 HD12 LEU 93 HD12 LEU 93 14.389 -8.780 -0.117 734 HD13 LEU 93 HD13 LEU 93 14.876 -10.099 -1.181 735 HD21 LEU 93 HD21 LEU 93 12.443 -10.060 -3.045 736 HD22 LEU 93 HD22 LEU 93 14.136 -10.150 -3.526 737 HD23 LEU 93 HD23 LEU 93 13.105 -8.872 -4.168 738 H GLU 94 HN GLU 94 14.602 -5.861 0.917 739 HA GLU 94 HA GLU 94 15.500 -3.650 -0.670 740 HB2 GLU 94 HB2 GLU 94 16.722 -4.754 1.861 741 HB3 GLU 94 HB1 GLU 94 16.936 -3.141 1.194 742 HG2 GLU 94 HG2 GLU 94 14.560 -2.675 1.563 743 HG3 GLU 94 HG1 GLU 94 14.360 -4.285 2.252 744 H GLY 95 HN GLY 95 16.058 -6.816 -0.988 745 HA2 GLY 95 HA2 GLY 95 17.490 -7.555 -2.766 746 HA3 GLY 95 HA1 GLY 95 18.656 -6.334 -2.276 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -16.803 0.935 17.008 2 H2 MET 1 HT2 MET 1 -16.979 2.599 17.233 3 H3 MET 1 HT3 MET 1 -16.558 1.613 18.537 4 HA MET 1 HA MET 1 -14.653 2.832 17.726 5 HB2 MET 1 HB2 MET 1 -14.607 -0.146 17.200 6 HB3 MET 1 HB1 MET 1 -13.170 0.859 17.292 7 HG2 MET 1 HG2 MET 1 -13.675 1.409 19.601 8 HG3 MET 1 HG1 MET 1 -15.156 0.458 19.516 9 HE1 MET 1 HE1 MET 1 -11.243 0.343 19.269 10 HE2 MET 1 HE2 MET 1 -11.726 -0.547 17.826 11 HE3 MET 1 HE3 MET 1 -10.935 -1.390 19.157 12 H ALA 2 HN ALA 2 -15.707 3.969 15.833 13 HA ALA 2 HA ALA 2 -15.624 2.794 13.247 14 HB1 ALA 2 HB1 ALA 2 -16.048 5.049 12.419 15 HB2 ALA 2 HB2 ALA 2 -15.696 5.710 14.016 16 HB3 ALA 2 HB3 ALA 2 -17.100 4.670 13.783 17 H HIS 3 HN HIS 3 -13.803 2.187 12.298 18 HA HIS 3 HA HIS 3 -11.300 3.492 12.986 19 HB2 HIS 3 HB2 HIS 3 -11.923 1.007 11.386 20 HB3 HIS 3 HB1 HIS 3 -10.295 1.644 11.584 21 HD1 HIS 3 HD1 HIS 3 -12.777 -0.505 13.200 22 HD2 HIS 3 HD2 HIS 3 -9.400 1.635 14.345 23 HE1 HIS 3 HE1 HIS 3 -12.101 -1.446 15.432 24 HE2 HIS 3 HE2 HIS 3 -9.986 -0.220 16.044 25 H HIS 4 HN HIS 4 -13.230 4.938 11.384 26 HA HIS 4 HA HIS 4 -11.396 5.707 9.290 27 HB2 HIS 4 HB2 HIS 4 -12.991 5.640 7.477 28 HB3 HIS 4 HB1 HIS 4 -12.881 4.037 8.186 29 HD1 HIS 4 HD1 HIS 4 -15.276 6.472 7.074 30 HD2 HIS 4 HD2 HIS 4 -15.187 3.554 10.038 31 HE1 HIS 4 HE1 HIS 4 -17.678 6.041 7.677 32 HE2 HIS 4 HE2 HIS 4 -17.593 4.376 9.563 33 H HIS 5 HN HIS 5 -11.107 7.779 9.614 34 HA HIS 5 HA HIS 5 -13.200 9.400 10.808 35 HB2 HIS 5 HB2 HIS 5 -10.356 10.027 9.996 36 HB3 HIS 5 HB1 HIS 5 -11.458 11.226 10.665 37 HD1 HIS 5 HD1 HIS 5 -9.119 8.570 11.628 38 HD2 HIS 5 HD2 HIS 5 -12.251 10.660 13.394 39 HE1 HIS 5 HE1 HIS 5 -8.900 8.158 14.098 40 HE2 HIS 5 HE2 HIS 5 -10.900 9.294 15.123 41 H HIS 6 HN HIS 6 -12.107 8.535 7.740 42 HA HIS 6 HA HIS 6 -13.185 10.872 6.403 43 HB2 HIS 6 HB2 HIS 6 -12.020 8.278 5.374 44 HB3 HIS 6 HB1 HIS 6 -12.689 9.514 4.317 45 HD1 HIS 6 HD1 HIS 6 -10.935 10.957 3.358 46 HD2 HIS 6 HD2 HIS 6 -9.912 9.614 7.151 47 HE1 HIS 6 HE1 HIS 6 -8.652 11.902 3.813 48 HE2 HIS 6 HE2 HIS 6 -8.155 11.250 6.196 49 H HIS 7 HN HIS 7 -15.246 11.089 5.872 50 HA HIS 7 HA HIS 7 -16.992 8.739 6.086 51 HB2 HIS 7 HB2 HIS 7 -17.592 11.698 6.169 52 HB3 HIS 7 HB1 HIS 7 -18.842 10.461 6.121 53 HD1 HIS 7 HD1 HIS 7 -16.219 11.922 8.368 54 HD2 HIS 7 HD2 HIS 7 -19.269 9.103 8.510 55 HE1 HIS 7 HE1 HIS 7 -16.492 11.339 10.800 56 HE2 HIS 7 HE2 HIS 7 -18.267 9.554 10.848 57 H HIS 8 HN HIS 8 -15.355 10.390 3.788 58 HA HIS 8 HA HIS 8 -17.406 9.927 1.733 59 HB2 HIS 8 HB2 HIS 8 -14.877 11.582 1.669 60 HB3 HIS 8 HB1 HIS 8 -15.847 11.245 0.245 61 HD1 HIS 8 HD1 HIS 8 -15.930 13.973 0.275 62 HD2 HIS 8 HD2 HIS 8 -18.121 11.981 3.191 63 HE1 HIS 8 HE1 HIS 8 -17.599 15.649 1.131 64 HE2 HIS 8 HE2 HIS 8 -19.029 14.362 2.754 65 H VAL 9 HN VAL 9 -16.158 7.715 2.882 66 HA VAL 9 HA VAL 9 -13.933 6.808 1.391 67 HB VAL 9 HB VAL 9 -16.020 5.283 2.951 68 HG11 VAL 9 HG11 VAL 9 -15.053 3.869 1.169 69 HG12 VAL 9 HG12 VAL 9 -14.609 3.328 2.788 70 HG13 VAL 9 HG13 VAL 9 -13.445 4.215 1.803 71 HG21 VAL 9 HG21 VAL 9 -14.152 5.009 4.552 72 HG22 VAL 9 HG22 VAL 9 -14.615 6.694 4.311 73 HG23 VAL 9 HG23 VAL 9 -13.165 6.057 3.528 74 H ASP 10 HN ASP 10 -13.822 6.161 -0.619 75 HA ASP 10 HA ASP 10 -16.332 5.668 -2.070 76 HB2 ASP 10 HB2 ASP 10 -13.658 6.600 -3.144 77 HB3 ASP 10 HB1 ASP 10 -15.123 6.373 -4.090 78 H ASP 11 HN ASP 11 -16.508 3.947 -3.437 79 HA ASP 11 HA ASP 11 -14.682 1.734 -3.149 80 HB2 ASP 11 HB2 ASP 11 -17.145 1.424 -3.362 81 HB3 ASP 11 HB1 ASP 11 -17.069 2.087 -4.987 82 H ASP 12 HN ASP 12 -15.058 4.450 -5.093 83 HA ASP 12 HA ASP 12 -13.853 5.394 -6.745 84 HB2 ASP 12 HB2 ASP 12 -11.900 4.516 -5.449 85 HB3 ASP 12 HB1 ASP 12 -11.923 3.083 -6.468 86 H ASP 13 HN ASP 13 -13.025 2.050 -7.554 87 HA ASP 13 HA ASP 13 -15.053 1.723 -9.494 88 HB2 ASP 13 HB2 ASP 13 -13.549 3.425 -10.635 89 HB3 ASP 13 HB1 ASP 13 -12.319 2.166 -10.695 90 H LYS 14 HN LYS 14 -15.251 -0.241 -8.479 91 HA LYS 14 HA LYS 14 -13.048 -2.033 -8.153 92 HB2 LYS 14 HB2 LYS 14 -15.147 -1.908 -6.718 93 HB3 LYS 14 HB1 LYS 14 -15.984 -2.722 -8.025 94 HG2 LYS 14 HG2 LYS 14 -13.522 -3.961 -6.885 95 HG3 LYS 14 HG1 LYS 14 -15.034 -4.062 -5.988 96 HD2 LYS 14 HD2 LYS 14 -14.587 -5.014 -8.818 97 HD3 LYS 14 HD1 LYS 14 -14.672 -6.046 -7.387 98 HE2 LYS 14 HE2 LYS 14 -16.882 -4.324 -8.523 99 HE3 LYS 14 HE1 LYS 14 -16.792 -6.079 -8.556 100 HZ1 LYS 14 HZ1 LYS 14 -16.967 -6.117 -6.162 101 HZ2 LYS 14 HZ2 LYS 14 -18.271 -5.269 -6.818 102 HZ3 LYS 14 HZ3 LYS 14 -16.997 -4.428 -6.097 103 H MET 15 HN MET 15 -12.253 -2.064 -10.315 104 HA MET 15 HA MET 15 -13.567 -4.156 -11.892 105 HB2 MET 15 HB2 MET 15 -12.516 -1.531 -12.939 106 HB3 MET 15 HB1 MET 15 -12.712 -2.940 -13.972 107 HG2 MET 15 HG2 MET 15 -14.880 -1.515 -12.448 108 HG3 MET 15 HG1 MET 15 -14.609 -1.475 -14.188 109 HE1 MET 15 HE1 MET 15 -14.891 -3.609 -15.769 110 HE2 MET 15 HE2 MET 15 -15.408 -5.191 -15.190 111 HE3 MET 15 HE3 MET 15 -13.830 -4.557 -14.728 112 H GLY 16 HN GLY 16 -12.190 -5.672 -12.687 113 HA2 GLY 16 HA2 GLY 16 -10.146 -6.675 -13.182 114 HA3 GLY 16 HA1 GLY 16 -9.327 -5.202 -12.679 115 H GLY 17 HN GLY 17 -11.415 -5.777 -10.276 116 HA2 GLY 17 HA2 GLY 17 -10.726 -7.951 -8.827 117 HA3 GLY 17 HA1 GLY 17 -9.380 -6.856 -8.548 118 HA PRO 18 HA PRO 18 -13.400 -5.988 -5.847 119 HB2 PRO 18 HB2 PRO 18 -12.335 -7.297 -3.619 120 HB3 PRO 18 HB1 PRO 18 -13.654 -7.883 -4.633 121 HG2 PRO 18 HG2 PRO 18 -10.752 -8.567 -4.711 122 HG3 PRO 18 HG1 PRO 18 -12.163 -9.614 -4.963 123 HD2 PRO 18 HD2 PRO 18 -10.718 -8.770 -7.032 124 HD3 PRO 18 HD1 PRO 18 -12.493 -8.845 -7.143 125 H THR 19 HN THR 19 -13.346 -4.553 -4.073 126 HA THR 19 HA THR 19 -10.823 -3.095 -3.902 127 HB THR 19 HB THR 19 -12.276 -1.292 -2.900 128 HG1 THR 19 HG1 THR 19 -14.602 -1.665 -3.559 129 HG21 THR 19 HG21 THR 19 -11.596 -1.208 -5.232 130 HG22 THR 19 HG22 THR 19 -13.255 -0.636 -5.065 131 HG23 THR 19 HG23 THR 19 -12.939 -2.257 -5.682 132 H VAL 20 HN VAL 20 -9.781 -2.699 -2.033 133 HA VAL 20 HA VAL 20 -10.874 -3.875 0.430 134 HB VAL 20 HB VAL 20 -7.992 -3.513 -0.275 135 HG11 VAL 20 HG11 VAL 20 -8.395 -3.355 2.113 136 HG12 VAL 20 HG12 VAL 20 -7.550 -4.855 1.729 137 HG13 VAL 20 HG13 VAL 20 -9.279 -4.882 2.074 138 HG21 VAL 20 HG21 VAL 20 -8.968 -5.259 -1.649 139 HG22 VAL 20 HG22 VAL 20 -9.637 -6.031 -0.211 140 HG23 VAL 20 HG23 VAL 20 -7.890 -5.962 -0.442 141 H LEU 21 HN LEU 21 -11.414 -2.401 1.908 142 HA LEU 21 HA LEU 21 -10.760 0.336 1.665 143 HB2 LEU 21 HB2 LEU 21 -12.767 -0.369 2.845 144 HB3 LEU 21 HB1 LEU 21 -11.805 -1.229 4.027 145 HG LEU 21 HG LEU 21 -10.897 0.886 4.862 146 HD11 LEU 21 HD11 LEU 21 -12.727 2.185 2.846 147 HD12 LEU 21 HD12 LEU 21 -10.964 2.174 2.790 148 HD13 LEU 21 HD13 LEU 21 -11.798 3.022 4.091 149 HD21 LEU 21 HD21 LEU 21 -12.937 1.742 5.876 150 HD22 LEU 21 HD22 LEU 21 -12.937 -0.021 5.844 151 HD23 LEU 21 HD23 LEU 21 -13.904 0.883 4.678 152 H VAL 22 HN VAL 22 -8.871 1.216 1.977 153 HA VAL 22 HA VAL 22 -6.953 -0.101 3.742 154 HB VAL 22 HB VAL 22 -6.531 2.231 1.871 155 HG11 VAL 22 HG11 VAL 22 -4.176 1.868 2.218 156 HG12 VAL 22 HG12 VAL 22 -4.499 0.458 3.227 157 HG13 VAL 22 HG13 VAL 22 -4.948 2.067 3.792 158 HG21 VAL 22 HG21 VAL 22 -7.115 0.233 0.633 159 HG22 VAL 22 HG22 VAL 22 -5.897 -0.691 1.511 160 HG23 VAL 22 HG23 VAL 22 -5.405 0.604 0.421 161 H LYS 23 HN LYS 23 -6.723 0.549 5.732 162 HA LYS 23 HA LYS 23 -7.493 3.290 6.467 163 HB2 LYS 23 HB2 LYS 23 -7.215 0.787 8.148 164 HB3 LYS 23 HB1 LYS 23 -7.607 2.379 8.788 165 HG2 LYS 23 HG2 LYS 23 -9.706 2.404 7.770 166 HG3 LYS 23 HG1 LYS 23 -9.279 1.110 6.652 167 HD2 LYS 23 HD2 LYS 23 -9.232 -0.482 8.498 168 HD3 LYS 23 HD1 LYS 23 -9.617 0.811 9.636 169 HE2 LYS 23 HE2 LYS 23 -11.773 1.109 8.710 170 HE3 LYS 23 HE1 LYS 23 -11.381 0.128 7.300 171 HZ1 LYS 23 HZ1 LYS 23 -11.359 -1.823 8.631 172 HZ2 LYS 23 HZ2 LYS 23 -12.796 -0.999 8.973 173 HZ3 LYS 23 HZ3 LYS 23 -11.508 -0.940 10.064 174 H ARG 24 HN ARG 24 -4.918 0.961 6.376 175 HA ARG 24 HA ARG 24 -2.972 3.040 6.712 176 HB2 ARG 24 HB2 ARG 24 -1.802 2.033 8.622 177 HB3 ARG 24 HB1 ARG 24 -3.422 2.549 9.067 178 HG2 ARG 24 HG2 ARG 24 -4.221 0.273 8.962 179 HG3 ARG 24 HG1 ARG 24 -2.646 -0.280 8.388 180 HD2 ARG 24 HD2 ARG 24 -2.919 -0.732 10.766 181 HD3 ARG 24 HD1 ARG 24 -1.625 0.432 10.487 182 HE ARG 24 HE ARG 24 -3.829 1.973 10.941 183 HH11 ARG 24 HH11 ARG 24 -2.214 -0.582 12.705 184 HH12 ARG 24 HH12 ARG 24 -2.685 0.019 14.264 185 HH21 ARG 24 HH21 ARG 24 -4.427 2.789 12.989 186 HH22 ARG 24 HH22 ARG 24 -3.929 1.948 14.424 187 H PHE 25 HN PHE 25 -0.782 2.259 6.379 188 HA PHE 25 HA PHE 25 -0.710 -0.240 4.820 189 HB2 PHE 25 HB2 PHE 25 0.981 2.265 4.626 190 HB3 PHE 25 HB1 PHE 25 1.367 0.769 3.785 191 HD1 PHE 25 HD1 PHE 25 -1.400 3.227 4.193 192 HD2 PHE 25 HD2 PHE 25 0.563 0.439 1.656 193 HE1 PHE 25 HE1 PHE 25 -2.840 3.919 2.327 194 HE2 PHE 25 HE2 PHE 25 -0.864 1.128 -0.214 195 HZ PHE 25 HZ PHE 25 -2.616 2.836 0.134 196 H GLN 26 HN GLN 26 0.698 -1.795 5.383 197 HA GLN 26 HA GLN 26 2.540 -1.242 7.620 198 HB2 GLN 26 HB2 GLN 26 0.629 -2.760 8.178 199 HB3 GLN 26 HB1 GLN 26 1.197 -3.866 6.936 200 HG2 GLN 26 HG2 GLN 26 2.027 -4.766 8.895 201 HG3 GLN 26 HG1 GLN 26 3.403 -3.886 8.234 202 HE21 GLN 26 HE21 GLN 26 4.106 -1.991 9.260 203 HE22 GLN 26 HE22 GLN 26 3.606 -1.598 10.869 204 H LEU 27 HN LEU 27 4.651 -1.613 7.205 205 HA LEU 27 HA LEU 27 5.286 -2.913 4.651 206 HB2 LEU 27 HB2 LEU 27 6.814 -0.974 6.380 207 HB3 LEU 27 HB1 LEU 27 7.582 -1.869 5.085 208 HG LEU 27 HG LEU 27 7.051 0.362 4.336 209 HD11 LEU 27 HD11 LEU 27 6.948 -1.282 2.636 210 HD12 LEU 27 HD12 LEU 27 5.587 -0.187 2.395 211 HD13 LEU 27 HD13 LEU 27 5.328 -1.768 3.122 212 HD21 LEU 27 HD21 LEU 27 4.185 -0.278 5.001 213 HD22 LEU 27 HD22 LEU 27 4.751 1.164 4.157 214 HD23 LEU 27 HD23 LEU 27 5.215 0.883 5.836 215 H SER 28 HN SER 28 6.375 -4.736 4.558 216 HA SER 28 HA SER 28 7.477 -5.837 7.057 217 HB2 SER 28 HB2 SER 28 5.416 -7.006 6.409 218 HB3 SER 28 HB1 SER 28 6.074 -7.303 4.803 219 HG SER 28 HG SER 28 6.255 -9.083 6.322 220 H GLY 29 HN GLY 29 9.611 -6.146 6.953 221 HA2 GLY 29 HA2 GLY 29 11.490 -7.239 5.934 222 HA3 GLY 29 HA1 GLY 29 10.784 -6.899 4.361 223 H ASN 30 HN ASN 30 10.166 -4.120 5.598 224 HA ASN 30 HA ASN 30 12.417 -2.800 4.473 225 HB2 ASN 30 HB2 ASN 30 11.347 -0.725 5.295 226 HB3 ASN 30 HB1 ASN 30 10.222 -1.744 4.408 227 HD21 ASN 30 HD21 ASN 30 9.875 0.351 6.505 228 HD22 ASN 30 HD22 ASN 30 8.885 -0.396 7.712 229 H ARG 31 HN ARG 31 14.280 -2.266 5.376 230 HA ARG 31 HA ARG 31 14.416 -2.173 8.324 231 HB2 ARG 31 HB2 ARG 31 16.457 -3.335 6.424 232 HB3 ARG 31 HB1 ARG 31 16.738 -3.071 8.138 233 HG2 ARG 31 HG2 ARG 31 14.514 -4.806 7.101 234 HG3 ARG 31 HG1 ARG 31 16.131 -5.418 7.445 235 HD2 ARG 31 HD2 ARG 31 14.650 -5.812 9.330 236 HD3 ARG 31 HD1 ARG 31 15.917 -4.670 9.764 237 HE ARG 31 HE ARG 31 13.352 -3.561 8.918 238 HH11 ARG 31 HH11 ARG 31 15.497 -4.422 11.545 239 HH12 ARG 31 HH12 ARG 31 14.734 -3.363 12.686 240 HH21 ARG 31 HH21 ARG 31 12.359 -2.142 10.408 241 HH22 ARG 31 HH22 ARG 31 12.947 -2.061 12.040 242 H GLN 32 HN GLN 32 15.580 -0.959 5.248 243 HA GLN 32 HA GLN 32 17.368 0.955 6.404 244 HB2 GLN 32 HB2 GLN 32 17.619 0.039 4.105 245 HB3 GLN 32 HB1 GLN 32 16.162 0.902 3.633 246 HG2 GLN 32 HG2 GLN 32 18.149 2.102 2.950 247 HG3 GLN 32 HG1 GLN 32 17.229 3.019 4.144 248 HE21 GLN 32 HE21 GLN 32 18.986 4.230 4.774 249 HE22 GLN 32 HE22 GLN 32 20.288 3.577 5.703 250 H PHE 33 HN PHE 33 14.051 1.004 5.225 251 HA PHE 33 HA PHE 33 13.758 3.674 6.419 252 HB2 PHE 33 HB2 PHE 33 12.310 2.617 3.980 253 HB3 PHE 33 HB1 PHE 33 12.036 4.179 4.739 254 HD1 PHE 33 HD2 PHE 33 13.779 5.926 4.642 255 HD2 PHE 33 HD1 PHE 33 14.149 2.261 2.510 256 HE1 PHE 33 HE2 PHE 33 15.529 6.927 3.232 257 HE2 PHE 33 HE1 PHE 33 15.900 3.256 1.098 258 HZ PHE 33 HZ PHE 33 16.594 5.590 1.459 259 H ASP 34 HN ASP 34 11.829 4.070 7.530 260 HA ASP 34 HA ASP 34 10.659 1.635 8.623 261 HB2 ASP 34 HB2 ASP 34 9.764 3.128 10.387 262 HB3 ASP 34 HB1 ASP 34 11.515 3.238 10.232 263 H ASP 35 HN ASP 35 8.267 1.843 9.283 264 HA ASP 35 HA ASP 35 6.742 1.835 6.953 265 HB2 ASP 35 HB2 ASP 35 5.786 2.170 9.801 266 HB3 ASP 35 HB1 ASP 35 4.746 1.808 8.433 267 H ARG 36 HN ARG 36 6.849 4.285 9.524 268 HA ARG 36 HA ARG 36 4.965 6.048 8.518 269 HB2 ARG 36 HB2 ARG 36 5.988 6.239 10.746 270 HB3 ARG 36 HB1 ARG 36 7.501 6.744 10.003 271 HG2 ARG 36 HG2 ARG 36 6.375 8.725 9.092 272 HG3 ARG 36 HG1 ARG 36 4.882 8.225 9.891 273 HD2 ARG 36 HD2 ARG 36 5.981 9.883 11.237 274 HD3 ARG 36 HD1 ARG 36 6.052 8.326 12.056 275 HE ARG 36 HE ARG 36 8.390 8.697 10.521 276 HH11 ARG 36 HH11 ARG 36 6.834 9.853 13.431 277 HH12 ARG 36 HH12 ARG 36 8.323 10.293 14.207 278 HH21 ARG 36 HH21 ARG 36 10.358 9.282 11.534 279 HH22 ARG 36 HH22 ARG 36 10.323 9.963 13.132 280 H ARG 37 HN ARG 37 8.391 5.776 7.750 281 HA ARG 37 HA ARG 37 8.601 8.040 6.090 282 HB2 ARG 37 HB2 ARG 37 10.541 6.819 6.983 283 HB3 ARG 37 HB1 ARG 37 10.136 5.437 5.975 284 HG2 ARG 37 HG2 ARG 37 11.912 6.610 4.922 285 HG3 ARG 37 HG1 ARG 37 10.449 6.897 3.978 286 HD2 ARG 37 HD2 ARG 37 10.168 9.068 5.048 287 HD3 ARG 37 HD1 ARG 37 11.603 8.784 6.028 288 HE ARG 37 HE ARG 37 11.532 9.358 3.162 289 HH11 ARG 37 HH11 ARG 37 13.389 8.765 6.069 290 HH12 ARG 37 HH12 ARG 37 14.872 9.363 5.399 291 HH21 ARG 37 HH21 ARG 37 13.478 10.147 2.270 292 HH22 ARG 37 HH22 ARG 37 14.926 10.138 3.227 293 H LEU 38 HN LEU 38 7.961 4.624 5.292 294 HA LEU 38 HA LEU 38 7.762 5.163 2.492 295 HB2 LEU 38 HB2 LEU 38 7.153 2.752 4.177 296 HB3 LEU 38 HB1 LEU 38 6.762 2.788 2.472 297 HG LEU 38 HG LEU 38 8.820 2.110 1.977 298 HD11 LEU 38 HD11 LEU 38 9.791 4.524 3.479 299 HD12 LEU 38 HD12 LEU 38 9.511 4.378 1.741 300 HD13 LEU 38 HD13 LEU 38 10.815 3.469 2.506 301 HD21 LEU 38 HD21 LEU 38 10.444 1.572 3.787 302 HD22 LEU 38 HD22 LEU 38 8.850 0.855 3.987 303 HD23 LEU 38 HD23 LEU 38 9.305 2.271 4.938 304 H LEU 39 HN LEU 39 5.538 5.122 5.134 305 HA LEU 39 HA LEU 39 3.098 4.776 3.811 306 HB2 LEU 39 HB2 LEU 39 4.010 5.882 6.376 307 HB3 LEU 39 HB1 LEU 39 2.474 6.508 5.816 308 HG LEU 39 HG LEU 39 1.429 4.411 5.957 309 HD11 LEU 39 HD11 LEU 39 3.101 3.063 4.819 310 HD12 LEU 39 HD12 LEU 39 2.636 2.310 6.343 311 HD13 LEU 39 HD13 LEU 39 4.166 3.177 6.219 312 HD21 LEU 39 HD21 LEU 39 1.927 5.452 8.121 313 HD22 LEU 39 HD22 LEU 39 3.417 4.510 8.215 314 HD23 LEU 39 HD23 LEU 39 1.852 3.693 8.228 315 H ALA 40 HN ALA 40 5.117 7.604 4.173 316 HA ALA 40 HA ALA 40 3.283 9.576 3.373 317 HB1 ALA 40 HB1 ALA 40 6.266 9.528 2.902 318 HB2 ALA 40 HB2 ALA 40 5.467 10.078 4.375 319 HB3 ALA 40 HB3 ALA 40 5.224 10.950 2.863 320 H LEU 41 HN LEU 41 5.012 7.197 1.509 321 HA LEU 41 HA LEU 41 4.658 8.417 -1.040 322 HB2 LEU 41 HB2 LEU 41 5.164 5.576 -0.176 323 HB3 LEU 41 HB1 LEU 41 4.979 6.023 -1.862 324 HG LEU 41 HG LEU 41 6.964 7.656 -0.469 325 HD11 LEU 41 HD11 LEU 41 7.564 4.734 -0.860 326 HD12 LEU 41 HD12 LEU 41 7.201 5.458 0.704 327 HD13 LEU 41 HD13 LEU 41 8.629 5.972 -0.196 328 HD21 LEU 41 HD21 LEU 41 6.565 7.550 -2.923 329 HD22 LEU 41 HD22 LEU 41 7.150 5.882 -2.900 330 HD23 LEU 41 HD23 LEU 41 8.230 7.205 -2.457 331 H LEU 42 HN LEU 42 2.644 6.567 1.073 332 HA LEU 42 HA LEU 42 0.634 6.205 -1.049 333 HB2 LEU 42 HB2 LEU 42 0.748 4.870 1.653 334 HB3 LEU 42 HB1 LEU 42 -0.402 4.533 0.381 335 HG LEU 42 HG LEU 42 0.951 2.782 0.009 336 HD11 LEU 42 HD11 LEU 42 1.204 4.095 -2.009 337 HD12 LEU 42 HD12 LEU 42 2.670 3.176 -1.669 338 HD13 LEU 42 HD13 LEU 42 2.612 4.906 -1.323 339 HD21 LEU 42 HD21 LEU 42 3.286 2.646 0.646 340 HD22 LEU 42 HD22 LEU 42 2.280 3.180 1.991 341 HD23 LEU 42 HD23 LEU 42 3.271 4.346 1.111 342 H HIS 43 HN HIS 43 1.337 8.534 0.831 343 HA HIS 43 HA HIS 43 -0.487 8.898 2.856 344 HB2 HIS 43 HB2 HIS 43 0.161 11.166 2.867 345 HB3 HIS 43 HB1 HIS 43 1.541 10.319 2.192 346 HD1 HIS 43 HD1 HIS 43 -0.812 13.031 1.474 347 HD2 HIS 43 HD2 HIS 43 1.755 10.588 -0.698 348 HE1 HIS 43 HE1 HIS 43 -0.551 14.143 -0.760 349 HE2 HIS 43 HE2 HIS 43 0.855 12.553 -2.116 350 H ASP 44 HN ASP 44 -1.099 9.043 -0.533 351 HA ASP 44 HA ASP 44 -3.536 10.637 -0.193 352 HB2 ASP 44 HB2 ASP 44 -3.462 10.780 -2.687 353 HB3 ASP 44 HB1 ASP 44 -2.036 11.447 -1.898 354 H LEU 45 HN LEU 45 -2.883 7.478 0.039 355 HA LEU 45 HA LEU 45 -4.885 6.564 -1.875 356 HB2 LEU 45 HB2 LEU 45 -2.874 5.046 -0.242 357 HB3 LEU 45 HB1 LEU 45 -4.073 4.280 -1.266 358 HG LEU 45 HG LEU 45 -1.894 6.147 -2.203 359 HD11 LEU 45 HD11 LEU 45 -2.237 3.177 -2.571 360 HD12 LEU 45 HD12 LEU 45 -1.081 3.948 -1.486 361 HD13 LEU 45 HD13 LEU 45 -0.938 4.169 -3.231 362 HD21 LEU 45 HD21 LEU 45 -2.625 5.468 -4.457 363 HD22 LEU 45 HD22 LEU 45 -3.865 6.369 -3.590 364 HD23 LEU 45 HD23 LEU 45 -3.992 4.617 -3.738 365 HA PRO 46 HA PRO 46 -6.553 4.330 1.929 366 HB2 PRO 46 HB2 PRO 46 -5.856 4.976 4.430 367 HB3 PRO 46 HB1 PRO 46 -4.867 3.920 3.429 368 HG2 PRO 46 HG2 PRO 46 -4.498 6.823 4.030 369 HG3 PRO 46 HG1 PRO 46 -3.290 5.525 3.958 370 HD2 PRO 46 HD2 PRO 46 -3.759 7.301 1.919 371 HD3 PRO 46 HD1 PRO 46 -3.092 5.676 1.684 372 H GLY 47 HN GLY 47 -8.315 4.685 3.479 373 HA2 GLY 47 HA2 GLY 47 -10.003 6.140 4.349 374 HA3 GLY 47 HA1 GLY 47 -9.335 7.449 3.377 375 H GLN 48 HN GLN 48 -9.290 4.748 1.558 376 HA GLN 48 HA GLN 48 -12.037 4.881 0.599 377 HB2 GLN 48 HB2 GLN 48 -9.578 5.524 -1.001 378 HB3 GLN 48 HB1 GLN 48 -10.990 4.830 -1.784 379 HG2 GLN 48 HG2 GLN 48 -12.335 6.695 -1.185 380 HG3 GLN 48 HG1 GLN 48 -11.074 7.341 -0.136 381 HE21 GLN 48 HE21 GLN 48 -12.478 8.488 -2.485 382 HE22 GLN 48 HE22 GLN 48 -11.217 8.950 -3.581 383 H GLU 49 HN GLU 49 -12.354 3.100 -1.102 384 HA GLU 49 HA GLU 49 -10.935 0.727 -0.144 385 HB2 GLU 49 HB2 GLU 49 -13.473 0.917 -1.787 386 HB3 GLU 49 HB1 GLU 49 -12.774 -0.560 -1.137 387 HG2 GLU 49 HG2 GLU 49 -13.072 0.379 1.140 388 HG3 GLU 49 HG1 GLU 49 -13.927 1.738 0.420 389 H LEU 50 HN LEU 50 -9.105 0.665 -1.231 390 HA LEU 50 HA LEU 50 -8.955 1.205 -4.074 391 HB2 LEU 50 HB2 LEU 50 -6.900 0.338 -2.039 392 HB3 LEU 50 HB1 LEU 50 -6.532 0.658 -3.723 393 HG LEU 50 HG LEU 50 -5.854 2.596 -2.622 394 HD11 LEU 50 HD11 LEU 50 -7.368 4.363 -3.297 395 HD12 LEU 50 HD12 LEU 50 -8.671 3.194 -3.499 396 HD13 LEU 50 HD13 LEU 50 -7.252 3.122 -4.545 397 HD21 LEU 50 HD21 LEU 50 -8.404 2.507 -1.018 398 HD22 LEU 50 HD22 LEU 50 -7.182 3.777 -0.931 399 HD23 LEU 50 HD23 LEU 50 -6.781 2.131 -0.440 400 H ASN 51 HN ASN 51 -8.627 -0.345 -5.668 401 HA ASN 51 HA ASN 51 -9.233 -3.083 -4.856 402 HB2 ASN 51 HB2 ASN 51 -9.661 -3.591 -7.147 403 HB3 ASN 51 HB1 ASN 51 -10.394 -2.023 -6.838 404 HD21 ASN 51 HD21 ASN 51 -9.603 -0.226 -7.853 405 HD22 ASN 51 HD22 ASN 51 -8.446 -0.302 -9.137 406 H LEU 52 HN LEU 52 -7.953 -4.874 -5.898 407 HA LEU 52 HA LEU 52 -5.465 -4.936 -4.799 408 HB2 LEU 52 HB2 LEU 52 -6.779 -6.526 -6.928 409 HB3 LEU 52 HB1 LEU 52 -5.054 -6.743 -6.715 410 HG LEU 52 HG LEU 52 -6.270 -8.434 -5.479 411 HD11 LEU 52 HD11 LEU 52 -5.231 -8.169 -3.338 412 HD12 LEU 52 HD12 LEU 52 -5.112 -6.425 -3.557 413 HD13 LEU 52 HD13 LEU 52 -4.155 -7.508 -4.569 414 HD21 LEU 52 HD21 LEU 52 -8.366 -7.259 -5.127 415 HD22 LEU 52 HD22 LEU 52 -7.572 -6.131 -4.028 416 HD23 LEU 52 HD23 LEU 52 -7.719 -7.833 -3.589 417 H SER 53 HN SER 53 -6.131 -4.054 -8.192 418 HA SER 53 HA SER 53 -3.476 -3.877 -9.043 419 HB2 SER 53 HB2 SER 53 -5.852 -2.244 -9.962 420 HB3 SER 53 HB1 SER 53 -4.329 -2.413 -10.833 421 HG SER 53 HG SER 53 -4.795 -4.466 -11.311 422 H GLN 54 HN GLN 54 -5.502 -1.584 -7.348 423 HA GLN 54 HA GLN 54 -3.693 0.620 -7.497 424 HB2 GLN 54 HB2 GLN 54 -6.078 0.015 -5.740 425 HB3 GLN 54 HB1 GLN 54 -5.212 1.543 -5.683 426 HG2 GLN 54 HG2 GLN 54 -5.738 1.999 -7.993 427 HG3 GLN 54 HG1 GLN 54 -6.500 0.423 -8.162 428 HE21 GLN 54 HE21 GLN 54 -7.549 3.136 -8.571 429 HE22 GLN 54 HE22 GLN 54 -8.948 3.253 -7.563 430 H LEU 55 HN LEU 55 -4.356 -1.921 -5.140 431 HA LEU 55 HA LEU 55 -2.794 -1.014 -3.060 432 HB2 LEU 55 HB2 LEU 55 -3.730 -3.703 -3.910 433 HB3 LEU 55 HB1 LEU 55 -2.578 -3.586 -2.604 434 HG LEU 55 HG LEU 55 -4.179 -1.946 -1.535 435 HD11 LEU 55 HD11 LEU 55 -6.043 -3.098 -3.549 436 HD12 LEU 55 HD12 LEU 55 -5.475 -1.429 -3.453 437 HD13 LEU 55 HD13 LEU 55 -6.494 -2.093 -2.171 438 HD21 LEU 55 HD21 LEU 55 -3.890 -4.208 -0.691 439 HD22 LEU 55 HD22 LEU 55 -5.041 -4.809 -1.885 440 HD23 LEU 55 HD23 LEU 55 -5.585 -3.731 -0.601 441 H HIS 56 HN HIS 56 -1.796 -3.336 -5.625 442 HA HIS 56 HA HIS 56 0.870 -3.381 -4.590 443 HB2 HIS 56 HB2 HIS 56 1.481 -4.694 -6.564 444 HB3 HIS 56 HB1 HIS 56 0.064 -5.338 -5.757 445 HD1 HIS 56 HD1 HIS 56 1.007 -3.357 -8.848 446 HD2 HIS 56 HD2 HIS 56 -2.102 -5.678 -7.354 447 HE1 HIS 56 HE1 HIS 56 -0.569 -3.696 -10.776 448 HE2 HIS 56 HE2 HIS 56 -2.331 -5.269 -9.901 449 H ALA 57 HN ALA 57 -0.778 -1.399 -6.890 450 HA ALA 57 HA ALA 57 1.442 -0.247 -8.180 451 HB1 ALA 57 HB1 ALA 57 -0.874 0.126 -8.911 452 HB2 ALA 57 HB2 ALA 57 -0.013 1.645 -8.662 453 HB3 ALA 57 HB3 ALA 57 -1.172 1.080 -7.458 454 H ALA 58 HN ALA 58 -0.048 0.305 -5.068 455 HA ALA 58 HA ALA 58 1.375 2.597 -4.273 456 HB1 ALA 58 HB1 ALA 58 0.774 1.938 -2.001 457 HB2 ALA 58 HB2 ALA 58 0.317 0.336 -2.577 458 HB3 ALA 58 HB3 ALA 58 -0.598 1.753 -3.093 459 H ALA 59 HN ALA 59 2.118 -0.834 -4.136 460 HA ALA 59 HA ALA 59 4.460 -0.643 -2.565 461 HB1 ALA 59 HB1 ALA 59 3.689 -2.741 -4.590 462 HB2 ALA 59 HB2 ALA 59 3.260 -2.746 -2.880 463 HB3 ALA 59 HB3 ALA 59 4.949 -2.899 -3.366 464 H ALA 60 HN ALA 60 3.824 -0.367 -5.998 465 HA ALA 60 HA ALA 60 6.471 -0.448 -6.926 466 HB1 ALA 60 HB1 ALA 60 4.501 -0.635 -8.383 467 HB2 ALA 60 HB2 ALA 60 5.625 0.603 -8.941 468 HB3 ALA 60 HB3 ALA 60 4.146 1.068 -8.100 469 H ARG 61 HN ARG 61 4.525 2.160 -5.608 470 HA ARG 61 HA ARG 61 6.190 4.333 -6.196 471 HB2 ARG 61 HB2 ARG 61 4.521 3.907 -3.707 472 HB3 ARG 61 HB1 ARG 61 5.155 5.447 -4.266 473 HG2 ARG 61 HG2 ARG 61 3.746 5.336 -6.240 474 HG3 ARG 61 HG1 ARG 61 3.142 3.757 -5.732 475 HD2 ARG 61 HD2 ARG 61 2.238 4.759 -3.696 476 HD3 ARG 61 HD1 ARG 61 2.840 6.333 -4.199 477 HE ARG 61 HE ARG 61 1.054 5.080 -6.086 478 HH11 ARG 61 HH11 ARG 61 1.331 7.186 -3.304 479 HH12 ARG 61 HH12 ARG 61 -0.202 7.965 -3.568 480 HH21 ARG 61 HH21 ARG 61 -0.995 6.077 -6.420 481 HH22 ARG 61 HH22 ARG 61 -1.522 7.324 -5.332 482 H ILE 62 HN ILE 62 6.218 2.009 -3.563 483 HA ILE 62 HA ILE 62 8.351 3.308 -2.138 484 HB ILE 62 HB ILE 62 7.132 0.564 -1.799 485 HG12 ILE 62 HG12 ILE 62 6.690 3.108 -0.230 486 HG13 ILE 62 HG11 ILE 62 5.580 2.462 -1.434 487 HG21 ILE 62 HG21 ILE 62 8.169 0.604 0.443 488 HG22 ILE 62 HG22 ILE 62 9.014 2.090 -0.003 489 HG23 ILE 62 HG23 ILE 62 9.356 0.587 -0.863 490 HD11 ILE 62 HD11 ILE 62 4.978 1.986 0.929 491 HD12 ILE 62 HD12 ILE 62 6.418 0.977 1.031 492 HD13 ILE 62 HD13 ILE 62 5.126 0.559 -0.095 493 H GLY 63 HN GLY 63 7.974 0.544 -4.280 494 HA2 GLY 63 HA2 GLY 63 10.550 -0.514 -4.155 495 HA3 GLY 63 HA1 GLY 63 9.497 -0.579 -5.563 496 H ASP 64 HN ASP 64 9.260 2.033 -6.265 497 HA ASP 64 HA ASP 64 11.741 2.569 -7.543 498 HB2 ASP 64 HB2 ASP 64 9.517 3.197 -8.481 499 HB3 ASP 64 HB1 ASP 64 9.362 4.415 -7.219 500 H PHE 65 HN PHE 65 10.157 3.781 -4.663 501 HA PHE 65 HA PHE 65 11.691 6.013 -4.075 502 HB2 PHE 65 HB2 PHE 65 9.696 5.343 -2.792 503 HB3 PHE 65 HB1 PHE 65 10.572 3.961 -2.142 504 HD1 PHE 65 HD1 PHE 65 10.292 7.626 -2.102 505 HD2 PHE 65 HD2 PHE 65 12.096 4.206 -0.328 506 HE1 PHE 65 HE1 PHE 65 11.047 9.008 -0.215 507 HE2 PHE 65 HE2 PHE 65 12.858 5.583 1.562 508 HZ PHE 65 HZ PHE 65 12.333 7.988 1.620 509 H TYR 66 HN TYR 66 12.276 2.630 -3.160 510 HA TYR 66 HA TYR 66 14.736 3.049 -1.867 511 HB2 TYR 66 HB2 TYR 66 13.296 0.712 -3.006 512 HB3 TYR 66 HB1 TYR 66 15.021 0.524 -2.725 513 HD1 TYR 66 HD2 TYR 66 11.974 1.761 -0.986 514 HD2 TYR 66 HD1 TYR 66 15.695 -0.268 -0.636 515 HE1 TYR 66 HE2 TYR 66 11.501 1.321 1.379 516 HE2 TYR 66 HE1 TYR 66 15.235 -0.710 1.737 517 HH TYR 66 HH TYR 66 12.176 0.349 3.242 518 H GLN 67 HN GLN 67 14.015 2.134 -5.227 519 HA GLN 67 HA GLN 67 16.634 1.865 -6.157 520 HB2 GLN 67 HB2 GLN 67 14.314 2.983 -7.735 521 HB3 GLN 67 HB1 GLN 67 15.735 2.172 -8.378 522 HG2 GLN 67 HG2 GLN 67 15.035 0.088 -7.388 523 HG3 GLN 67 HG1 GLN 67 13.662 0.882 -6.623 524 HE21 GLN 67 HE21 GLN 67 13.277 2.562 -9.051 525 HE22 GLN 67 HE22 GLN 67 12.490 1.525 -10.188 526 H GLU 68 HN GLU 68 14.547 4.686 -5.941 527 HA GLU 68 HA GLU 68 16.174 6.593 -7.153 528 HB2 GLU 68 HB2 GLU 68 13.817 6.943 -6.501 529 HB3 GLU 68 HB1 GLU 68 14.298 6.949 -4.810 530 HG2 GLU 68 HG2 GLU 68 15.727 8.921 -5.292 531 HG3 GLU 68 HG1 GLU 68 15.048 8.952 -6.919 532 H LYS 69 HN LYS 69 16.162 5.330 -3.874 533 HA LYS 69 HA LYS 69 18.100 7.254 -2.947 534 HB2 LYS 69 HB2 LYS 69 17.068 4.776 -1.566 535 HB3 LYS 69 HB1 LYS 69 17.951 6.092 -0.813 536 HG2 LYS 69 HG2 LYS 69 15.171 6.148 -1.941 537 HG3 LYS 69 HG1 LYS 69 15.666 6.366 -0.263 538 HD2 LYS 69 HD2 LYS 69 16.763 8.460 -0.840 539 HD3 LYS 69 HD1 LYS 69 16.337 8.232 -2.539 540 HE2 LYS 69 HE2 LYS 69 13.936 8.173 -1.812 541 HE3 LYS 69 HE1 LYS 69 14.477 8.687 -0.217 542 HZ1 LYS 69 HZ1 LYS 69 13.817 10.608 -1.392 543 HZ2 LYS 69 HZ2 LYS 69 14.697 10.179 -2.772 544 HZ3 LYS 69 HZ3 LYS 69 15.508 10.642 -1.358 545 H GLY 70 HN GLY 70 18.395 4.679 -4.903 546 HA2 GLY 70 HA2 GLY 70 20.643 4.207 -5.690 547 HA3 GLY 70 HA1 GLY 70 21.173 4.228 -4.017 548 H TYR 71 HN TYR 71 18.464 2.706 -3.588 549 HA TYR 71 HA TYR 71 19.757 0.120 -3.604 550 HB2 TYR 71 HB2 TYR 71 16.978 0.851 -2.659 551 HB3 TYR 71 HB1 TYR 71 17.858 -0.630 -2.289 552 HD1 TYR 71 HD1 TYR 71 19.876 -0.513 -0.853 553 HD2 TYR 71 HD2 TYR 71 17.324 2.830 -1.418 554 HE1 TYR 71 HE1 TYR 71 20.810 0.525 1.160 555 HE2 TYR 71 HE2 TYR 71 18.250 3.885 0.594 556 HH TYR 71 HH TYR 71 19.393 3.292 2.616 557 H VAL 72 HN VAL 72 19.807 0.214 -6.015 558 HA VAL 72 HA VAL 72 17.407 -0.006 -7.521 559 HB VAL 72 HB VAL 72 20.193 -0.865 -8.322 560 HG11 VAL 72 HG11 VAL 72 19.411 -0.476 -10.611 561 HG12 VAL 72 HG12 VAL 72 17.802 -0.104 -9.995 562 HG13 VAL 72 HG13 VAL 72 18.464 -1.727 -9.805 563 HG21 VAL 72 HG21 VAL 72 20.440 1.360 -9.284 564 HG22 VAL 72 HG22 VAL 72 20.149 1.461 -7.547 565 HG23 VAL 72 HG23 VAL 72 18.845 1.810 -8.682 566 H LEU 73 HN LEU 73 19.358 -2.266 -5.776 567 HA LEU 73 HA LEU 73 18.254 -4.595 -7.082 568 HB2 LEU 73 HB2 LEU 73 19.970 -4.274 -4.631 569 HB3 LEU 73 HB1 LEU 73 19.457 -5.825 -5.261 570 HG LEU 73 HG LEU 73 21.116 -3.842 -6.815 571 HD11 LEU 73 HD11 LEU 73 22.362 -4.641 -4.884 572 HD12 LEU 73 HD12 LEU 73 22.997 -5.352 -6.368 573 HD13 LEU 73 HD13 LEU 73 21.968 -6.308 -5.302 574 HD21 LEU 73 HD21 LEU 73 19.841 -5.330 -8.231 575 HD22 LEU 73 HD22 LEU 73 20.398 -6.727 -7.312 576 HD23 LEU 73 HD23 LEU 73 21.543 -5.786 -8.267 577 H ALA 74 HN ALA 74 17.029 -2.411 -4.985 578 HA ALA 74 HA ALA 74 15.530 -4.352 -3.378 579 HB1 ALA 74 HB1 ALA 74 14.887 -2.402 -2.016 580 HB2 ALA 74 HB2 ALA 74 15.848 -1.369 -3.075 581 HB3 ALA 74 HB3 ALA 74 16.636 -2.616 -2.109 582 H ARG 75 HN ARG 75 13.321 -4.437 -3.402 583 HA ARG 75 HA ARG 75 11.786 -2.527 -4.936 584 HB2 ARG 75 HB2 ARG 75 12.601 -4.225 -6.611 585 HB3 ARG 75 HB1 ARG 75 11.706 -5.446 -5.720 586 HG2 ARG 75 HG2 ARG 75 10.417 -4.753 -7.617 587 HG3 ARG 75 HG1 ARG 75 9.625 -4.183 -6.147 588 HD2 ARG 75 HD2 ARG 75 10.648 -1.966 -6.490 589 HD3 ARG 75 HD1 ARG 75 11.368 -2.546 -7.987 590 HE ARG 75 HE ARG 75 8.524 -2.890 -7.920 591 HH11 ARG 75 HH11 ARG 75 11.110 -0.639 -8.636 592 HH12 ARG 75 HH12 ARG 75 10.127 0.364 -9.653 593 HH21 ARG 75 HH21 ARG 75 7.232 -1.586 -9.282 594 HH22 ARG 75 HH22 ARG 75 7.922 -0.174 -10.022 595 H ALA 76 HN ALA 76 9.746 -2.353 -4.160 596 HA ALA 76 HA ALA 76 8.985 -4.188 -2.008 597 HB1 ALA 76 HB1 ALA 76 9.095 -1.824 -1.399 598 HB2 ALA 76 HB2 ALA 76 7.445 -2.434 -1.284 599 HB3 ALA 76 HB3 ALA 76 7.925 -1.439 -2.659 600 H PHE 77 HN PHE 77 7.193 -5.420 -2.147 601 HA PHE 77 HA PHE 77 5.346 -4.949 -4.378 602 HB2 PHE 77 HB2 PHE 77 5.311 -7.305 -4.959 603 HB3 PHE 77 HB1 PHE 77 6.961 -6.711 -5.064 604 HD1 PHE 77 HD1 PHE 77 8.619 -7.364 -3.361 605 HD2 PHE 77 HD2 PHE 77 4.682 -8.982 -3.400 606 HE1 PHE 77 HE1 PHE 77 9.356 -9.188 -1.882 607 HE2 PHE 77 HE2 PHE 77 5.407 -10.803 -1.921 608 HZ PHE 77 HZ PHE 77 7.750 -10.909 -1.157 609 H LEU 78 HN LEU 78 3.223 -5.772 -4.018 610 HA LEU 78 HA LEU 78 2.677 -6.193 -1.160 611 HB2 LEU 78 HB2 LEU 78 1.721 -4.153 -2.376 612 HB3 LEU 78 HB1 LEU 78 0.688 -5.280 -3.232 613 HG LEU 78 HG LEU 78 0.691 -5.176 -0.228 614 HD11 LEU 78 HD11 LEU 78 -0.812 -3.424 -2.155 615 HD12 LEU 78 HD12 LEU 78 0.233 -2.925 -0.826 616 HD13 LEU 78 HD13 LEU 78 -1.320 -3.688 -0.489 617 HD21 LEU 78 HD21 LEU 78 -0.392 -7.087 -1.289 618 HD22 LEU 78 HD22 LEU 78 -1.367 -5.998 -2.276 619 HD23 LEU 78 HD23 LEU 78 -1.582 -6.033 -0.525 620 HA PRO 79 HA PRO 79 1.674 -10.305 -2.672 621 HB2 PRO 79 HB2 PRO 79 1.498 -11.452 -0.228 622 HB3 PRO 79 HB1 PRO 79 3.047 -11.105 -1.006 623 HG2 PRO 79 HG2 PRO 79 1.605 -9.565 1.115 624 HG3 PRO 79 HG1 PRO 79 3.333 -9.936 0.981 625 HD2 PRO 79 HD2 PRO 79 2.268 -7.534 0.283 626 HD3 PRO 79 HD1 PRO 79 3.719 -8.211 -0.481 627 H ALA 80 HN ALA 80 -0.351 -10.553 -3.399 628 HA ALA 80 HA ALA 80 -2.643 -9.720 -1.841 629 HB1 ALA 80 HB1 ALA 80 -3.952 -10.391 -3.788 630 HB2 ALA 80 HB2 ALA 80 -2.517 -11.112 -4.517 631 HB3 ALA 80 HB3 ALA 80 -2.597 -9.367 -4.267 632 H GLN 81 HN GLN 81 -1.564 -11.436 -0.259 633 HA GLN 81 HA GLN 81 -2.432 -14.161 -0.836 634 HB2 GLN 81 HB2 GLN 81 -0.150 -13.759 0.012 635 HB3 GLN 81 HB1 GLN 81 -0.827 -13.043 1.467 636 HG2 GLN 81 HG2 GLN 81 -1.885 -15.197 2.002 637 HG3 GLN 81 HG1 GLN 81 -1.112 -15.901 0.583 638 HE21 GLN 81 HE21 GLN 81 0.081 -17.364 1.753 639 HE22 GLN 81 HE22 GLN 81 1.406 -16.904 2.763 640 H GLU 82 HN GLU 82 -2.801 -11.707 1.706 641 HA GLU 82 HA GLU 82 -5.316 -13.008 2.490 642 HB2 GLU 82 HB2 GLU 82 -3.267 -13.502 3.998 643 HB3 GLU 82 HB1 GLU 82 -3.414 -11.831 4.510 644 HG2 GLU 82 HG2 GLU 82 -5.686 -13.778 4.710 645 HG3 GLU 82 HG1 GLU 82 -4.478 -13.597 5.976 646 H ILE 83 HN ILE 83 -3.409 -10.206 3.538 647 HA ILE 83 HA ILE 83 -3.883 -8.010 3.764 648 HB ILE 83 HB ILE 83 -5.775 -8.396 1.459 649 HG12 ILE 83 HG12 ILE 83 -2.823 -7.725 1.486 650 HG13 ILE 83 HG11 ILE 83 -3.538 -9.224 0.900 651 HG21 ILE 83 HG21 ILE 83 -6.076 -6.282 2.643 652 HG22 ILE 83 HG22 ILE 83 -5.366 -6.012 1.051 653 HG23 ILE 83 HG23 ILE 83 -4.350 -5.943 2.491 654 HD11 ILE 83 HD11 ILE 83 -4.659 -8.003 -0.878 655 HD12 ILE 83 HD12 ILE 83 -2.913 -7.741 -0.924 656 HD13 ILE 83 HD13 ILE 83 -3.977 -6.493 -0.275 657 H GLN 84 HN GLN 84 -4.853 -8.568 5.799 658 HA GLN 84 HA GLN 84 -7.578 -8.857 6.258 659 HB2 GLN 84 HB2 GLN 84 -7.128 -7.918 8.505 660 HB3 GLN 84 HB1 GLN 84 -5.984 -9.163 8.047 661 HG2 GLN 84 HG2 GLN 84 -5.327 -6.274 7.663 662 HG3 GLN 84 HG1 GLN 84 -5.135 -7.044 9.235 663 HE21 GLN 84 HE21 GLN 84 -3.912 -6.746 6.018 664 HE22 GLN 84 HE22 GLN 84 -2.486 -7.706 6.245 665 H ASP 85 HN ASP 85 -9.270 -7.531 6.161 666 HA ASP 85 HA ASP 85 -9.219 -5.207 4.669 667 HB2 ASP 85 HB2 ASP 85 -11.509 -4.840 5.355 668 HB3 ASP 85 HB1 ASP 85 -11.256 -6.564 5.122 669 H GLY 86 HN GLY 86 -8.564 -3.223 5.046 670 HA2 GLY 86 HA2 GLY 86 -8.614 -1.240 6.431 671 HA3 GLY 86 HA1 GLY 86 -8.446 -2.285 7.835 672 H THR 87 HN THR 87 -6.363 -3.947 6.872 673 HA THR 87 HA THR 87 -4.162 -1.990 6.835 674 HB THR 87 HB THR 87 -4.102 -4.736 8.093 675 HG1 THR 87 HG1 THR 87 -5.524 -3.418 9.271 676 HG21 THR 87 HG21 THR 87 -2.069 -3.904 9.185 677 HG22 THR 87 HG22 THR 87 -2.229 -2.380 8.314 678 HG23 THR 87 HG23 THR 87 -1.918 -3.872 7.429 679 H VAL 88 HN VAL 88 -3.007 -2.077 5.019 680 HA VAL 88 HA VAL 88 -2.899 -4.609 3.537 681 HB VAL 88 HB VAL 88 -2.088 -3.306 1.628 682 HG11 VAL 88 HG11 VAL 88 -4.610 -2.223 2.873 683 HG12 VAL 88 HG12 VAL 88 -4.471 -3.640 1.832 684 HG13 VAL 88 HG13 VAL 88 -4.152 -2.031 1.181 685 HG21 VAL 88 HG21 VAL 88 -2.036 -0.878 1.684 686 HG22 VAL 88 HG22 VAL 88 -0.930 -1.549 2.887 687 HG23 VAL 88 HG23 VAL 88 -2.489 -0.891 3.390 688 H ARG 89 HN ARG 89 -0.965 -5.649 3.192 689 HA ARG 89 HA ARG 89 1.326 -4.467 4.607 690 HB2 ARG 89 HB2 ARG 89 0.259 -6.619 5.513 691 HB3 ARG 89 HB1 ARG 89 1.012 -7.407 4.129 692 HG2 ARG 89 HG2 ARG 89 3.196 -6.533 4.864 693 HG3 ARG 89 HG1 ARG 89 2.414 -5.862 6.292 694 HD2 ARG 89 HD2 ARG 89 2.407 -8.769 5.539 695 HD3 ARG 89 HD1 ARG 89 3.517 -8.024 6.683 696 HE ARG 89 HE ARG 89 1.249 -7.345 7.810 697 HH11 ARG 89 HH11 ARG 89 2.069 -10.419 6.332 698 HH12 ARG 89 HH12 ARG 89 1.028 -11.335 7.372 699 HH21 ARG 89 HH21 ARG 89 -0.106 -8.549 9.179 700 HH22 ARG 89 HH22 ARG 89 -0.212 -10.272 8.996 701 H ILE 90 HN ILE 90 2.858 -3.792 3.345 702 HA ILE 90 HA ILE 90 3.258 -5.067 0.727 703 HB ILE 90 HB ILE 90 4.238 -2.401 1.761 704 HG12 ILE 90 HG12 ILE 90 2.138 -3.070 -0.307 705 HG13 ILE 90 HG11 ILE 90 1.818 -2.470 1.315 706 HG21 ILE 90 HG21 ILE 90 5.828 -3.364 0.200 707 HG22 ILE 90 HG22 ILE 90 4.994 -1.998 -0.539 708 HG23 ILE 90 HG23 ILE 90 4.537 -3.647 -0.967 709 HD11 ILE 90 HD11 ILE 90 3.283 -0.988 -0.853 710 HD12 ILE 90 HD12 ILE 90 2.950 -0.383 0.769 711 HD13 ILE 90 HD13 ILE 90 1.619 -0.708 -0.343 712 H GLU 91 HN GLU 91 5.060 -6.236 0.364 713 HA GLU 91 HA GLU 91 6.977 -6.428 2.559 714 HB2 GLU 91 HB2 GLU 91 6.558 -8.190 0.143 715 HB3 GLU 91 HB1 GLU 91 7.809 -8.444 1.353 716 HG2 GLU 91 HG2 GLU 91 5.954 -8.557 3.060 717 HG3 GLU 91 HG1 GLU 91 4.833 -8.623 1.701 718 H VAL 92 HN VAL 92 8.867 -5.509 2.472 719 HA VAL 92 HA VAL 92 9.727 -4.326 -0.069 720 HB VAL 92 HB VAL 92 10.716 -3.698 2.718 721 HG11 VAL 92 HG11 VAL 92 12.316 -3.174 0.959 722 HG12 VAL 92 HG12 VAL 92 11.666 -1.701 1.679 723 HG13 VAL 92 HG13 VAL 92 11.085 -2.243 0.103 724 HG21 VAL 92 HG21 VAL 92 9.370 -1.625 2.512 725 HG22 VAL 92 HG22 VAL 92 8.387 -3.089 2.577 726 HG23 VAL 92 HG23 VAL 92 8.656 -2.274 1.034 727 H LEU 93 HN LEU 93 11.035 -5.685 -1.137 728 HA LEU 93 HA LEU 93 13.002 -7.260 0.325 729 HB2 LEU 93 HB2 LEU 93 11.799 -8.318 -1.532 730 HB3 LEU 93 HB1 LEU 93 12.388 -7.084 -2.630 731 HG LEU 93 HG LEU 93 14.710 -7.886 -2.222 732 HD11 LEU 93 HD11 LEU 93 14.395 -8.882 -0.031 733 HD12 LEU 93 HD12 LEU 93 15.025 -10.075 -1.167 734 HD13 LEU 93 HD13 LEU 93 13.319 -10.098 -0.719 735 HD21 LEU 93 HD21 LEU 93 14.504 -9.906 -3.573 736 HD22 LEU 93 HD22 LEU 93 13.434 -8.636 -4.165 737 HD23 LEU 93 HD23 LEU 93 12.778 -9.973 -3.223 738 H GLU 94 HN GLU 94 14.535 -5.877 1.080 739 HA GLU 94 HA GLU 94 15.485 -3.683 -0.500 740 HB2 GLU 94 HB2 GLU 94 16.719 -4.788 2.020 741 HB3 GLU 94 HB1 GLU 94 16.931 -3.178 1.348 742 HG2 GLU 94 HG2 GLU 94 14.531 -2.740 1.751 743 HG3 GLU 94 HG1 GLU 94 14.412 -4.318 2.520 744 H GLY 95 HN GLY 95 16.531 -6.932 0.208 745 HA2 GLY 95 HA2 GLY 95 17.957 -7.406 -2.043 746 HA3 GLY 95 HA1 GLY 95 19.125 -6.604 -0.999 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -23.291 5.451 16.383 2 H2 MET 1 HT2 MET 1 -22.521 5.063 14.930 3 H3 MET 1 HT3 MET 1 -24.205 5.169 14.991 4 HA MET 1 HA MET 1 -23.271 7.099 13.928 5 HB2 MET 1 HB2 MET 1 -24.368 8.814 15.283 6 HB3 MET 1 HB1 MET 1 -25.342 7.354 15.208 7 HG2 MET 1 HG2 MET 1 -24.623 6.726 17.433 8 HG3 MET 1 HG1 MET 1 -23.565 8.134 17.510 9 HE1 MET 1 HE1 MET 1 -27.192 8.025 15.940 10 HE2 MET 1 HE2 MET 1 -28.175 8.404 17.354 11 HE3 MET 1 HE3 MET 1 -27.276 6.888 17.285 12 H ALA 2 HN ALA 2 -21.566 6.057 16.687 13 HA ALA 2 HA ALA 2 -20.100 8.437 17.226 14 HB1 ALA 2 HB1 ALA 2 -19.392 5.562 17.814 15 HB2 ALA 2 HB2 ALA 2 -20.280 6.651 18.880 16 HB3 ALA 2 HB3 ALA 2 -18.592 6.979 18.492 17 H HIS 3 HN HIS 3 -19.671 5.692 15.095 18 HA HIS 3 HA HIS 3 -17.082 6.583 14.179 19 HB2 HIS 3 HB2 HIS 3 -17.793 4.156 14.286 20 HB3 HIS 3 HB1 HIS 3 -18.870 4.486 12.934 21 HD1 HIS 3 HD1 HIS 3 -17.840 3.462 10.936 22 HD2 HIS 3 HD2 HIS 3 -15.021 5.363 13.328 23 HE1 HIS 3 HE1 HIS 3 -15.654 3.227 9.722 24 HE2 HIS 3 HE2 HIS 3 -13.940 4.270 11.249 25 H HIS 4 HN HIS 4 -17.474 8.640 13.434 26 HA HIS 4 HA HIS 4 -19.660 9.313 11.755 27 HB2 HIS 4 HB2 HIS 4 -17.118 10.831 12.357 28 HB3 HIS 4 HB1 HIS 4 -18.528 11.502 11.545 29 HD1 HIS 4 HD1 HIS 4 -17.061 11.101 14.824 30 HD2 HIS 4 HD2 HIS 4 -20.915 11.438 13.300 31 HE1 HIS 4 HE1 HIS 4 -18.505 11.758 16.772 32 HE2 HIS 4 HE2 HIS 4 -20.821 12.015 15.817 33 H HIS 5 HN HIS 5 -19.879 8.923 9.680 34 HA HIS 5 HA HIS 5 -17.504 8.381 8.077 35 HB2 HIS 5 HB2 HIS 5 -19.134 7.638 6.321 36 HB3 HIS 5 HB1 HIS 5 -19.190 6.711 7.810 37 HD1 HIS 5 HD1 HIS 5 -21.344 6.903 9.249 38 HD2 HIS 5 HD2 HIS 5 -21.470 9.034 5.681 39 HE1 HIS 5 HE1 HIS 5 -23.761 7.486 8.892 40 HE2 HIS 5 HE2 HIS 5 -23.796 8.879 6.795 41 H HIS 6 HN HIS 6 -16.576 10.243 7.561 42 HA HIS 6 HA HIS 6 -18.146 12.512 6.667 43 HB2 HIS 6 HB2 HIS 6 -16.183 12.843 8.129 44 HB3 HIS 6 HB1 HIS 6 -15.150 12.153 6.887 45 HD1 HIS 6 HD1 HIS 6 -14.068 13.801 5.393 46 HD2 HIS 6 HD2 HIS 6 -17.520 15.325 7.137 47 HE1 HIS 6 HE1 HIS 6 -14.183 16.203 4.671 48 HE2 HIS 6 HE2 HIS 6 -16.236 17.128 5.793 49 H HIS 7 HN HIS 7 -16.246 9.936 5.327 50 HA HIS 7 HA HIS 7 -16.965 10.843 2.662 51 HB2 HIS 7 HB2 HIS 7 -14.673 10.465 1.785 52 HB3 HIS 7 HB1 HIS 7 -14.774 11.816 2.902 53 HD1 HIS 7 HD1 HIS 7 -12.637 9.134 2.112 54 HD2 HIS 7 HD2 HIS 7 -13.964 10.792 5.684 55 HE1 HIS 7 HE1 HIS 7 -10.963 8.432 3.848 56 HE2 HIS 7 HE2 HIS 7 -11.876 9.310 6.023 57 H HIS 8 HN HIS 8 -18.431 9.086 2.880 58 HA HIS 8 HA HIS 8 -17.472 6.395 3.056 59 HB2 HIS 8 HB2 HIS 8 -19.774 6.941 3.699 60 HB3 HIS 8 HB1 HIS 8 -20.119 7.478 2.060 61 HD1 HIS 8 HD1 HIS 8 -21.349 5.795 0.737 62 HD2 HIS 8 HD2 HIS 8 -18.913 4.012 3.597 63 HE1 HIS 8 HE1 HIS 8 -21.752 3.324 0.520 64 HE2 HIS 8 HE2 HIS 8 -20.352 2.270 2.330 65 H VAL 9 HN VAL 9 -15.858 6.210 1.519 66 HA VAL 9 HA VAL 9 -16.318 6.816 -1.239 67 HB VAL 9 HB VAL 9 -14.122 5.156 0.006 68 HG11 VAL 9 HG11 VAL 9 -14.360 4.720 -2.374 69 HG12 VAL 9 HG12 VAL 9 -12.892 5.649 -2.067 70 HG13 VAL 9 HG13 VAL 9 -14.325 6.450 -2.712 71 HG21 VAL 9 HG21 VAL 9 -14.167 8.078 -0.747 72 HG22 VAL 9 HG22 VAL 9 -12.775 7.190 -0.127 73 HG23 VAL 9 HG23 VAL 9 -14.192 7.437 0.894 74 H ASP 10 HN ASP 10 -18.186 5.688 -1.721 75 HA ASP 10 HA ASP 10 -18.470 2.875 -1.480 76 HB2 ASP 10 HB2 ASP 10 -20.366 4.460 -1.749 77 HB3 ASP 10 HB1 ASP 10 -19.829 4.792 -3.391 78 H ASP 11 HN ASP 11 -17.623 1.303 -2.700 79 HA ASP 11 HA ASP 11 -15.537 1.788 -4.461 80 HB2 ASP 11 HB2 ASP 11 -15.654 -0.593 -5.072 81 HB3 ASP 11 HB1 ASP 11 -15.764 -0.353 -3.334 82 H ASP 12 HN ASP 12 -15.444 2.503 -6.424 83 HA ASP 12 HA ASP 12 -17.844 2.385 -8.115 84 HB2 ASP 12 HB2 ASP 12 -16.863 4.291 -9.331 85 HB3 ASP 12 HB1 ASP 12 -17.082 4.651 -7.623 86 H ASP 13 HN ASP 13 -15.023 0.796 -7.694 87 HA ASP 13 HA ASP 13 -14.903 0.031 -10.516 88 HB2 ASP 13 HB2 ASP 13 -13.082 1.684 -10.056 89 HB3 ASP 13 HB1 ASP 13 -12.440 0.581 -8.844 90 H LYS 14 HN LYS 14 -14.736 -2.087 -10.820 91 HA LYS 14 HA LYS 14 -13.312 -3.709 -8.886 92 HB2 LYS 14 HB2 LYS 14 -15.962 -3.692 -8.529 93 HB3 LYS 14 HB1 LYS 14 -15.898 -4.858 -9.842 94 HG2 LYS 14 HG2 LYS 14 -14.262 -5.136 -7.336 95 HG3 LYS 14 HG1 LYS 14 -15.884 -5.801 -7.498 96 HD2 LYS 14 HD2 LYS 14 -13.712 -6.439 -9.474 97 HD3 LYS 14 HD1 LYS 14 -13.893 -7.348 -7.967 98 HE2 LYS 14 HE2 LYS 14 -16.059 -6.981 -10.034 99 HE3 LYS 14 HE1 LYS 14 -15.025 -8.403 -9.902 100 HZ1 LYS 14 HZ1 LYS 14 -16.890 -7.423 -7.806 101 HZ2 LYS 14 HZ2 LYS 14 -15.894 -8.784 -7.679 102 HZ3 LYS 14 HZ3 LYS 14 -17.147 -8.757 -8.815 103 H MET 15 HN MET 15 -12.395 -2.822 -11.219 104 HA MET 15 HA MET 15 -12.718 -5.073 -13.092 105 HB2 MET 15 HB2 MET 15 -11.494 -2.336 -13.529 106 HB3 MET 15 HB1 MET 15 -11.609 -3.596 -14.750 107 HG2 MET 15 HG2 MET 15 -14.014 -3.477 -14.711 108 HG3 MET 15 HG1 MET 15 -13.967 -2.321 -13.381 109 HE1 MET 15 HE1 MET 15 -11.600 -2.450 -16.532 110 HE2 MET 15 HE2 MET 15 -12.461 -1.388 -17.644 111 HE3 MET 15 HE3 MET 15 -13.170 -2.932 -17.173 112 H GLY 16 HN GLY 16 -10.527 -3.422 -11.000 113 HA2 GLY 16 HA2 GLY 16 -8.364 -5.249 -11.815 114 HA3 GLY 16 HA1 GLY 16 -8.128 -3.725 -10.967 115 H GLY 17 HN GLY 17 -10.352 -6.430 -10.380 116 HA2 GLY 17 HA2 GLY 17 -10.292 -7.982 -8.627 117 HA3 GLY 17 HA1 GLY 17 -8.943 -7.104 -7.922 118 HA PRO 18 HA PRO 18 -13.134 -6.047 -5.825 119 HB2 PRO 18 HB2 PRO 18 -12.639 -7.413 -3.493 120 HB3 PRO 18 HB1 PRO 18 -13.619 -8.042 -4.819 121 HG2 PRO 18 HG2 PRO 18 -10.762 -8.600 -4.142 122 HG3 PRO 18 HG1 PRO 18 -12.020 -9.716 -4.706 123 HD2 PRO 18 HD2 PRO 18 -10.118 -8.758 -6.353 124 HD3 PRO 18 HD1 PRO 18 -11.773 -9.077 -6.912 125 H THR 19 HN THR 19 -13.070 -4.196 -4.682 126 HA THR 19 HA THR 19 -10.525 -3.084 -4.057 127 HB THR 19 HB THR 19 -11.867 -1.136 -3.218 128 HG1 THR 19 HG1 THR 19 -13.853 -1.770 -2.690 129 HG21 THR 19 HG21 THR 19 -11.050 -1.182 -5.495 130 HG22 THR 19 HG22 THR 19 -12.668 -0.481 -5.457 131 HG23 THR 19 HG23 THR 19 -12.439 -2.143 -6.002 132 H VAL 20 HN VAL 20 -9.644 -2.518 -2.158 133 HA VAL 20 HA VAL 20 -10.863 -3.614 0.280 134 HB VAL 20 HB VAL 20 -7.977 -3.011 -0.193 135 HG11 VAL 20 HG11 VAL 20 -8.724 -2.927 2.152 136 HG12 VAL 20 HG12 VAL 20 -7.565 -4.220 1.849 137 HG13 VAL 20 HG13 VAL 20 -9.281 -4.594 2.000 138 HG21 VAL 20 HG21 VAL 20 -8.641 -4.826 -1.653 139 HG22 VAL 20 HG22 VAL 20 -9.382 -5.668 -0.292 140 HG23 VAL 20 HG23 VAL 20 -7.634 -5.442 -0.340 141 H LEU 21 HN LEU 21 -11.612 -2.098 1.662 142 HA LEU 21 HA LEU 21 -10.995 0.666 1.325 143 HB2 LEU 21 HB2 LEU 21 -13.147 0.030 2.244 144 HB3 LEU 21 HB1 LEU 21 -12.370 -0.784 3.589 145 HG LEU 21 HG LEU 21 -11.436 1.459 4.274 146 HD11 LEU 21 HD11 LEU 21 -13.474 2.496 2.315 147 HD12 LEU 21 HD12 LEU 21 -11.723 2.602 2.131 148 HD13 LEU 21 HD13 LEU 21 -12.524 3.458 3.450 149 HD21 LEU 21 HD21 LEU 21 -14.413 1.042 4.258 150 HD22 LEU 21 HD22 LEU 21 -13.565 2.210 5.271 151 HD23 LEU 21 HD23 LEU 21 -13.258 0.485 5.471 152 H VAL 22 HN VAL 22 -8.845 0.938 1.491 153 HA VAL 22 HA VAL 22 -7.283 -0.143 3.612 154 HB VAL 22 HB VAL 22 -6.604 2.078 1.681 155 HG11 VAL 22 HG11 VAL 22 -5.168 1.965 3.708 156 HG12 VAL 22 HG12 VAL 22 -4.293 1.614 2.219 157 HG13 VAL 22 HG13 VAL 22 -4.770 0.298 3.292 158 HG21 VAL 22 HG21 VAL 22 -7.191 0.041 0.506 159 HG22 VAL 22 HG22 VAL 22 -6.077 -0.884 1.512 160 HG23 VAL 22 HG23 VAL 22 -5.455 0.334 0.397 161 H LYS 23 HN LYS 23 -6.904 0.649 5.541 162 HA LYS 23 HA LYS 23 -7.719 3.415 6.139 163 HB2 LYS 23 HB2 LYS 23 -7.476 1.049 8.012 164 HB3 LYS 23 HB1 LYS 23 -8.014 2.662 8.456 165 HG2 LYS 23 HG2 LYS 23 -9.999 2.439 7.152 166 HG3 LYS 23 HG1 LYS 23 -9.429 0.925 6.450 167 HD2 LYS 23 HD2 LYS 23 -9.479 -0.112 8.673 168 HD3 LYS 23 HD1 LYS 23 -10.080 1.400 9.356 169 HE2 LYS 23 HE2 LYS 23 -11.902 -0.168 8.993 170 HE3 LYS 23 HE1 LYS 23 -12.073 1.241 7.947 171 HZ1 LYS 23 HZ1 LYS 23 -11.129 -0.068 6.131 172 HZ2 LYS 23 HZ2 LYS 23 -12.535 -0.778 6.741 173 HZ3 LYS 23 HZ3 LYS 23 -11.025 -1.422 7.144 174 H ARG 24 HN ARG 24 -5.181 1.072 6.147 175 HA ARG 24 HA ARG 24 -3.197 3.067 6.657 176 HB2 ARG 24 HB2 ARG 24 -2.214 1.962 8.647 177 HB3 ARG 24 HB1 ARG 24 -3.810 2.625 8.971 178 HG2 ARG 24 HG2 ARG 24 -4.806 0.458 8.889 179 HG3 ARG 24 HG1 ARG 24 -3.310 -0.265 8.300 180 HD2 ARG 24 HD2 ARG 24 -3.636 -0.730 10.669 181 HD3 ARG 24 HD1 ARG 24 -2.213 0.273 10.407 182 HE ARG 24 HE ARG 24 -4.423 1.926 10.933 183 HH11 ARG 24 HH11 ARG 24 -2.315 -0.353 12.549 184 HH12 ARG 24 HH12 ARG 24 -2.506 0.380 14.108 185 HH21 ARG 24 HH21 ARG 24 -4.684 2.894 12.982 186 HH22 ARG 24 HH22 ARG 24 -3.857 2.227 14.357 187 H PHE 25 HN PHE 25 -1.045 2.269 6.370 188 HA PHE 25 HA PHE 25 -0.939 -0.276 4.899 189 HB2 PHE 25 HB2 PHE 25 0.753 2.219 4.638 190 HB3 PHE 25 HB1 PHE 25 1.156 0.693 3.863 191 HD1 PHE 25 HD1 PHE 25 -1.661 3.113 4.143 192 HD2 PHE 25 HD2 PHE 25 0.440 0.331 1.711 193 HE1 PHE 25 HE1 PHE 25 -3.067 3.733 2.228 194 HE2 PHE 25 HE2 PHE 25 -0.953 0.949 -0.207 195 HZ PHE 25 HZ PHE 25 -2.733 2.620 0.044 196 H GLN 26 HN GLN 26 0.754 -1.692 5.312 197 HA GLN 26 HA GLN 26 2.502 -1.030 7.585 198 HB2 GLN 26 HB2 GLN 26 0.728 -2.547 8.355 199 HB3 GLN 26 HB1 GLN 26 1.124 -3.681 7.072 200 HG2 GLN 26 HG2 GLN 26 2.109 -4.509 9.054 201 HG3 GLN 26 HG1 GLN 26 3.419 -3.854 8.073 202 HE21 GLN 26 HE21 GLN 26 4.793 -3.465 9.767 203 HE22 GLN 26 HE22 GLN 26 4.502 -2.254 10.961 204 H LEU 27 HN LEU 27 4.633 -1.544 7.278 205 HA LEU 27 HA LEU 27 5.279 -2.779 4.691 206 HB2 LEU 27 HB2 LEU 27 6.853 -0.943 6.492 207 HB3 LEU 27 HB1 LEU 27 7.577 -1.795 5.145 208 HG LEU 27 HG LEU 27 7.120 0.459 4.480 209 HD11 LEU 27 HD11 LEU 27 5.150 -1.452 3.255 210 HD12 LEU 27 HD12 LEU 27 6.822 -1.186 2.755 211 HD13 LEU 27 HD13 LEU 27 5.627 0.095 2.562 212 HD21 LEU 27 HD21 LEU 27 4.878 1.414 4.454 213 HD22 LEU 27 HD22 LEU 27 5.384 1.012 6.095 214 HD23 LEU 27 HD23 LEU 27 4.248 -0.033 5.242 215 H SER 28 HN SER 28 6.674 -4.485 4.554 216 HA SER 28 HA SER 28 7.516 -5.714 7.090 217 HB2 SER 28 HB2 SER 28 5.497 -6.833 6.166 218 HB3 SER 28 HB1 SER 28 6.387 -7.163 4.683 219 HG SER 28 HG SER 28 6.918 -8.149 7.287 220 H GLY 29 HN GLY 29 9.596 -6.407 7.124 221 HA2 GLY 29 HA2 GLY 29 11.621 -7.205 6.286 222 HA3 GLY 29 HA1 GLY 29 10.981 -7.044 4.659 223 H ASN 30 HN ASN 30 10.286 -4.194 6.004 224 HA ASN 30 HA ASN 30 12.427 -2.832 4.683 225 HB2 ASN 30 HB2 ASN 30 11.299 -0.776 5.476 226 HB3 ASN 30 HB1 ASN 30 10.194 -1.871 4.655 227 HD21 ASN 30 HD21 ASN 30 9.799 0.273 6.690 228 HD22 ASN 30 HD22 ASN 30 8.880 -0.480 7.949 229 H ARG 31 HN ARG 31 14.267 -2.081 5.509 230 HA ARG 31 HA ARG 31 14.462 -1.729 8.419 231 HB2 ARG 31 HB2 ARG 31 15.412 -3.939 7.812 232 HB3 ARG 31 HB1 ARG 31 16.541 -3.133 6.736 233 HG2 ARG 31 HG2 ARG 31 17.676 -3.676 8.764 234 HG3 ARG 31 HG1 ARG 31 17.468 -1.926 8.696 235 HD2 ARG 31 HD2 ARG 31 15.591 -3.752 10.180 236 HD3 ARG 31 HD1 ARG 31 17.005 -3.018 10.927 237 HE ARG 31 HE ARG 31 15.892 -0.831 10.148 238 HH11 ARG 31 HH11 ARG 31 14.193 -3.685 11.243 239 HH12 ARG 31 HH12 ARG 31 12.820 -2.803 11.826 240 HH21 ARG 31 HH21 ARG 31 14.085 0.342 10.929 241 HH22 ARG 31 HH22 ARG 31 12.765 -0.514 11.664 242 H GLN 32 HN GLN 32 15.659 -1.019 5.198 243 HA GLN 32 HA GLN 32 17.528 0.970 5.972 244 HB2 GLN 32 HB2 GLN 32 16.043 0.585 3.366 245 HB3 GLN 32 HB1 GLN 32 17.391 1.687 3.592 246 HG2 GLN 32 HG2 GLN 32 17.461 -1.308 3.856 247 HG3 GLN 32 HG1 GLN 32 18.139 -0.351 2.540 248 HE21 GLN 32 HE21 GLN 32 19.162 1.728 4.285 249 HE22 GLN 32 HE22 GLN 32 20.529 1.056 5.100 250 H PHE 33 HN PHE 33 14.102 1.028 5.183 251 HA PHE 33 HA PHE 33 13.980 3.737 6.312 252 HB2 PHE 33 HB2 PHE 33 12.379 2.713 3.956 253 HB3 PHE 33 HB1 PHE 33 12.142 4.267 4.744 254 HD1 PHE 33 HD2 PHE 33 14.126 5.888 4.764 255 HD2 PHE 33 HD1 PHE 33 13.887 2.500 2.203 256 HE1 PHE 33 HE2 PHE 33 15.795 6.903 3.272 257 HE2 PHE 33 HE1 PHE 33 15.561 3.508 0.708 258 HZ PHE 33 HZ PHE 33 16.523 5.710 1.252 259 H ASP 34 HN ASP 34 12.397 4.079 7.784 260 HA ASP 34 HA ASP 34 11.122 1.780 8.913 261 HB2 ASP 34 HB2 ASP 34 10.207 3.355 10.573 262 HB3 ASP 34 HB1 ASP 34 11.941 3.554 10.372 263 H ASP 35 HN ASP 35 8.752 1.806 9.471 264 HA ASP 35 HA ASP 35 7.218 1.602 7.186 265 HB2 ASP 35 HB2 ASP 35 6.342 2.070 10.036 266 HB3 ASP 35 HB1 ASP 35 5.208 1.767 8.732 267 H ARG 36 HN ARG 36 7.091 4.233 9.556 268 HA ARG 36 HA ARG 36 5.313 5.963 8.428 269 HB2 ARG 36 HB2 ARG 36 6.230 6.478 10.521 270 HB3 ARG 36 HB1 ARG 36 7.870 6.457 9.892 271 HG2 ARG 36 HG2 ARG 36 6.994 8.426 8.409 272 HG3 ARG 36 HG1 ARG 36 5.795 8.569 9.703 273 HD2 ARG 36 HD2 ARG 36 7.760 9.966 10.109 274 HD3 ARG 36 HD1 ARG 36 7.550 8.725 11.343 275 HE ARG 36 HE ARG 36 9.243 7.476 9.747 276 HH11 ARG 36 HH11 ARG 36 9.294 10.791 10.859 277 HH12 ARG 36 HH12 ARG 36 11.015 10.944 10.728 278 HH21 ARG 36 HH21 ARG 36 11.509 7.651 9.596 279 HH22 ARG 36 HH22 ARG 36 12.281 9.156 10.013 280 H ARG 37 HN ARG 37 8.769 5.754 7.678 281 HA ARG 37 HA ARG 37 8.902 7.892 5.879 282 HB2 ARG 37 HB2 ARG 37 10.854 6.736 6.897 283 HB3 ARG 37 HB1 ARG 37 10.549 5.355 5.855 284 HG2 ARG 37 HG2 ARG 37 12.347 6.700 4.969 285 HG3 ARG 37 HG1 ARG 37 10.956 6.760 3.888 286 HD2 ARG 37 HD2 ARG 37 10.357 8.936 4.648 287 HD3 ARG 37 HD1 ARG 37 11.518 8.860 5.970 288 HE ARG 37 HE ARG 37 13.287 8.969 4.283 289 HH11 ARG 37 HH11 ARG 37 10.064 9.868 3.254 290 HH12 ARG 37 HH12 ARG 37 10.622 10.968 2.037 291 HH21 ARG 37 HH21 ARG 37 14.026 10.400 2.664 292 HH22 ARG 37 HH22 ARG 37 12.877 11.271 1.697 293 H LEU 38 HN LEU 38 7.976 4.537 5.408 294 HA LEU 38 HA LEU 38 7.796 4.885 2.537 295 HB2 LEU 38 HB2 LEU 38 7.321 2.556 4.373 296 HB3 LEU 38 HB1 LEU 38 6.852 2.493 2.689 297 HG LEU 38 HG LEU 38 8.902 1.819 2.145 298 HD11 LEU 38 HD11 LEU 38 10.882 3.241 2.459 299 HD12 LEU 38 HD12 LEU 38 9.921 4.319 3.470 300 HD13 LEU 38 HD13 LEU 38 9.514 4.109 1.765 301 HD21 LEU 38 HD21 LEU 38 9.560 2.204 5.052 302 HD22 LEU 38 HD22 LEU 38 10.599 1.388 3.885 303 HD23 LEU 38 HD23 LEU 38 9.014 0.722 4.265 304 H LEU 39 HN LEU 39 5.722 4.965 5.311 305 HA LEU 39 HA LEU 39 3.227 4.531 4.079 306 HB2 LEU 39 HB2 LEU 39 3.911 6.219 6.487 307 HB3 LEU 39 HB1 LEU 39 2.285 5.769 6.018 308 HG LEU 39 HG LEU 39 4.462 3.861 6.874 309 HD11 LEU 39 HD11 LEU 39 3.521 5.270 8.678 310 HD12 LEU 39 HD12 LEU 39 3.168 3.554 8.873 311 HD13 LEU 39 HD13 LEU 39 1.918 4.652 8.282 312 HD21 LEU 39 HD21 LEU 39 2.696 2.173 6.828 313 HD22 LEU 39 HD22 LEU 39 2.977 2.859 5.228 314 HD23 LEU 39 HD23 LEU 39 1.574 3.364 6.171 315 H ALA 40 HN ALA 40 5.211 7.392 4.394 316 HA ALA 40 HA ALA 40 3.339 9.311 3.563 317 HB1 ALA 40 HB1 ALA 40 6.321 9.328 3.098 318 HB2 ALA 40 HB2 ALA 40 5.519 9.851 4.578 319 HB3 ALA 40 HB3 ALA 40 5.247 10.726 3.071 320 H LEU 41 HN LEU 41 5.057 6.900 1.769 321 HA LEU 41 HA LEU 41 4.790 8.091 -0.801 322 HB2 LEU 41 HB2 LEU 41 5.268 5.283 0.153 323 HB3 LEU 41 HB1 LEU 41 5.056 5.643 -1.550 324 HG LEU 41 HG LEU 41 7.088 7.255 -0.117 325 HD11 LEU 41 HD11 LEU 41 7.657 4.420 -0.936 326 HD12 LEU 41 HD12 LEU 41 7.354 4.900 0.727 327 HD13 LEU 41 HD13 LEU 41 8.745 5.552 -0.137 328 HD21 LEU 41 HD21 LEU 41 8.238 7.036 -2.225 329 HD22 LEU 41 HD22 LEU 41 6.559 7.484 -2.528 330 HD23 LEU 41 HD23 LEU 41 7.086 5.814 -2.765 331 H LEU 42 HN LEU 42 2.672 6.317 1.281 332 HA LEU 42 HA LEU 42 0.712 6.042 -0.900 333 HB2 LEU 42 HB2 LEU 42 0.708 4.648 1.776 334 HB3 LEU 42 HB1 LEU 42 -0.411 4.371 0.461 335 HG LEU 42 HG LEU 42 0.904 2.582 0.106 336 HD11 LEU 42 HD11 LEU 42 2.693 2.961 -1.515 337 HD12 LEU 42 HD12 LEU 42 2.635 4.690 -1.162 338 HD13 LEU 42 HD13 LEU 42 1.242 3.889 -1.895 339 HD21 LEU 42 HD21 LEU 42 3.170 2.321 0.838 340 HD22 LEU 42 HD22 LEU 42 2.201 2.998 2.144 341 HD23 LEU 42 HD23 LEU 42 3.287 4.038 1.220 342 H HIS 43 HN HIS 43 1.449 8.308 1.063 343 HA HIS 43 HA HIS 43 -0.447 8.701 3.012 344 HB2 HIS 43 HB2 HIS 43 0.255 10.947 3.105 345 HB3 HIS 43 HB1 HIS 43 1.642 10.080 2.473 346 HD1 HIS 43 HD1 HIS 43 -0.796 12.737 1.618 347 HD2 HIS 43 HD2 HIS 43 2.200 10.570 -0.285 348 HE1 HIS 43 HE1 HIS 43 -0.337 13.955 -0.530 349 HE2 HIS 43 HE2 HIS 43 1.403 12.570 -1.716 350 H ASP 44 HN ASP 44 -0.919 8.991 -0.413 351 HA ASP 44 HA ASP 44 -3.393 10.530 -0.029 352 HB2 ASP 44 HB2 ASP 44 -3.229 10.987 -2.464 353 HB3 ASP 44 HB1 ASP 44 -1.819 11.544 -1.569 354 H LEU 45 HN LEU 45 -2.798 7.445 0.098 355 HA LEU 45 HA LEU 45 -4.670 6.598 -1.981 356 HB2 LEU 45 HB2 LEU 45 -2.763 5.003 -0.292 357 HB3 LEU 45 HB1 LEU 45 -3.909 4.288 -1.409 358 HG LEU 45 HG LEU 45 -1.639 6.138 -2.145 359 HD11 LEU 45 HD11 LEU 45 -2.050 3.202 -2.676 360 HD12 LEU 45 HD12 LEU 45 -0.936 3.880 -1.492 361 HD13 LEU 45 HD13 LEU 45 -0.686 4.181 -3.212 362 HD21 LEU 45 HD21 LEU 45 -3.694 4.754 -3.865 363 HD22 LEU 45 HD22 LEU 45 -2.262 5.588 -4.467 364 HD23 LEU 45 HD23 LEU 45 -3.519 6.493 -3.626 365 HA PRO 46 HA PRO 46 -6.540 4.271 1.682 366 HB2 PRO 46 HB2 PRO 46 -5.969 4.861 4.233 367 HB3 PRO 46 HB1 PRO 46 -4.946 3.805 3.262 368 HG2 PRO 46 HG2 PRO 46 -4.560 6.684 3.951 369 HG3 PRO 46 HG1 PRO 46 -3.371 5.369 3.896 370 HD2 PRO 46 HD2 PRO 46 -3.721 7.208 1.887 371 HD3 PRO 46 HD1 PRO 46 -3.064 5.581 1.638 372 H GLY 47 HN GLY 47 -8.304 4.614 3.269 373 HA2 GLY 47 HA2 GLY 47 -10.026 6.005 4.117 374 HA3 GLY 47 HA1 GLY 47 -9.351 7.355 3.205 375 H GLN 48 HN GLN 48 -9.049 5.191 1.029 376 HA GLN 48 HA GLN 48 -11.803 5.308 0.000 377 HB2 GLN 48 HB2 GLN 48 -9.174 5.307 -1.500 378 HB3 GLN 48 HB1 GLN 48 -10.754 5.193 -2.263 379 HG2 GLN 48 HG2 GLN 48 -11.331 7.394 -1.532 380 HG3 GLN 48 HG1 GLN 48 -9.866 7.500 -0.562 381 HE21 GLN 48 HE21 GLN 48 -11.199 7.588 -3.766 382 HE22 GLN 48 HE22 GLN 48 -9.796 8.225 -4.551 383 H GLU 49 HN GLU 49 -12.093 3.527 -1.722 384 HA GLU 49 HA GLU 49 -11.023 1.031 -0.631 385 HB2 GLU 49 HB2 GLU 49 -13.405 1.615 -2.389 386 HB3 GLU 49 HB1 GLU 49 -12.792 -0.013 -2.166 387 HG2 GLU 49 HG2 GLU 49 -13.026 0.548 0.364 388 HG3 GLU 49 HG1 GLU 49 -14.146 1.777 -0.220 389 H LEU 50 HN LEU 50 -9.139 0.626 -1.490 390 HA LEU 50 HA LEU 50 -8.556 1.303 -4.259 391 HB2 LEU 50 HB2 LEU 50 -6.865 0.255 -1.990 392 HB3 LEU 50 HB1 LEU 50 -6.243 0.505 -3.609 393 HG LEU 50 HG LEU 50 -5.539 2.374 -2.374 394 HD11 LEU 50 HD11 LEU 50 -6.468 2.983 -4.540 395 HD12 LEU 50 HD12 LEU 50 -6.687 4.272 -3.356 396 HD13 LEU 50 HD13 LEU 50 -8.047 3.239 -3.795 397 HD21 LEU 50 HD21 LEU 50 -7.011 3.744 -0.984 398 HD22 LEU 50 HD22 LEU 50 -6.931 2.076 -0.415 399 HD23 LEU 50 HD23 LEU 50 -8.344 2.635 -1.310 400 H ASN 51 HN ASN 51 -8.425 -0.166 -5.880 401 HA ASN 51 HA ASN 51 -9.196 -2.890 -5.300 402 HB2 ASN 51 HB2 ASN 51 -9.155 -3.222 -7.753 403 HB3 ASN 51 HB1 ASN 51 -10.168 -1.870 -7.269 404 HD21 ASN 51 HD21 ASN 51 -10.067 -0.938 -9.295 405 HD22 ASN 51 HD22 ASN 51 -8.638 -0.153 -9.878 406 H LEU 52 HN LEU 52 -7.946 -4.676 -6.562 407 HA LEU 52 HA LEU 52 -5.539 -5.078 -5.267 408 HB2 LEU 52 HB2 LEU 52 -6.832 -6.297 -7.654 409 HB3 LEU 52 HB1 LEU 52 -5.140 -6.657 -7.383 410 HG LEU 52 HG LEU 52 -6.634 -8.388 -6.475 411 HD11 LEU 52 HD11 LEU 52 -4.429 -8.001 -5.490 412 HD12 LEU 52 HD12 LEU 52 -5.598 -8.563 -4.293 413 HD13 LEU 52 HD13 LEU 52 -5.144 -6.861 -4.352 414 HD21 LEU 52 HD21 LEU 52 -7.582 -6.212 -4.615 415 HD22 LEU 52 HD22 LEU 52 -7.981 -7.925 -4.491 416 HD23 LEU 52 HD23 LEU 52 -8.537 -6.989 -5.878 417 H SER 53 HN SER 53 -6.084 -3.802 -8.517 418 HA SER 53 HA SER 53 -3.464 -3.575 -9.393 419 HB2 SER 53 HB2 SER 53 -5.677 -1.578 -9.906 420 HB3 SER 53 HB1 SER 53 -4.281 -1.901 -10.933 421 HG SER 53 HG SER 53 -5.264 -4.195 -10.825 422 H GLN 54 HN GLN 54 -5.418 -1.100 -7.743 423 HA GLN 54 HA GLN 54 -3.358 0.794 -7.461 424 HB2 GLN 54 HB2 GLN 54 -5.947 0.363 -5.974 425 HB3 GLN 54 HB1 GLN 54 -4.886 1.729 -5.656 426 HG2 GLN 54 HG2 GLN 54 -5.204 2.601 -7.831 427 HG3 GLN 54 HG1 GLN 54 -5.985 1.121 -8.383 428 HE21 GLN 54 HE21 GLN 54 -6.877 3.940 -8.336 429 HE22 GLN 54 HE22 GLN 54 -8.390 3.933 -7.501 430 H LEU 55 HN LEU 55 -4.370 -1.899 -5.451 431 HA LEU 55 HA LEU 55 -2.981 -1.265 -3.112 432 HB2 LEU 55 HB2 LEU 55 -3.583 -3.982 -4.279 433 HB3 LEU 55 HB1 LEU 55 -3.051 -3.700 -2.640 434 HG LEU 55 HG LEU 55 -5.653 -2.758 -3.837 435 HD11 LEU 55 HD11 LEU 55 -5.512 -5.179 -3.390 436 HD12 LEU 55 HD12 LEU 55 -6.683 -4.358 -2.360 437 HD13 LEU 55 HD13 LEU 55 -5.110 -4.821 -1.713 438 HD21 LEU 55 HD21 LEU 55 -4.836 -1.157 -2.203 439 HD22 LEU 55 HD22 LEU 55 -4.570 -2.456 -1.039 440 HD23 LEU 55 HD23 LEU 55 -6.209 -2.054 -1.555 441 H HIS 56 HN HIS 56 -1.905 -3.426 -5.774 442 HA HIS 56 HA HIS 56 0.711 -3.595 -4.616 443 HB2 HIS 56 HB2 HIS 56 1.361 -4.891 -6.567 444 HB3 HIS 56 HB1 HIS 56 -0.162 -5.470 -5.921 445 HD1 HIS 56 HD1 HIS 56 1.209 -3.479 -8.836 446 HD2 HIS 56 HD2 HIS 56 -2.211 -5.568 -7.708 447 HE1 HIS 56 HE1 HIS 56 -0.218 -3.608 -10.903 448 HE2 HIS 56 HE2 HIS 56 -2.190 -5.031 -10.245 449 H ALA 57 HN ALA 57 -0.814 -1.495 -6.886 450 HA ALA 57 HA ALA 57 1.469 -0.349 -8.073 451 HB1 ALA 57 HB1 ALA 57 -1.146 1.007 -7.428 452 HB2 ALA 57 HB2 ALA 57 -0.823 0.050 -8.874 453 HB3 ALA 57 HB3 ALA 57 0.058 1.552 -8.595 454 H ALA 58 HN ALA 58 -0.090 0.147 -4.982 455 HA ALA 58 HA ALA 58 1.282 2.431 -4.112 456 HB1 ALA 58 HB1 ALA 58 0.346 0.064 -2.488 457 HB2 ALA 58 HB2 ALA 58 -0.630 1.468 -2.923 458 HB3 ALA 58 HB3 ALA 58 0.760 1.655 -1.854 459 H ALA 59 HN ALA 59 2.153 -0.975 -4.100 460 HA ALA 59 HA ALA 59 4.546 -0.717 -2.608 461 HB1 ALA 59 HB1 ALA 59 5.058 -2.957 -3.419 462 HB2 ALA 59 HB2 ALA 59 3.764 -2.833 -4.610 463 HB3 ALA 59 HB3 ALA 59 3.381 -2.849 -2.887 464 H ALA 60 HN ALA 60 3.754 -0.415 -6.003 465 HA ALA 60 HA ALA 60 6.358 -0.446 -7.061 466 HB1 ALA 60 HB1 ALA 60 5.385 0.654 -9.011 467 HB2 ALA 60 HB2 ALA 60 3.926 1.013 -8.089 468 HB3 ALA 60 HB3 ALA 60 4.354 -0.659 -8.445 469 H ARG 61 HN ARG 61 4.456 2.077 -5.556 470 HA ARG 61 HA ARG 61 6.078 4.291 -6.184 471 HB2 ARG 61 HB2 ARG 61 4.401 3.756 -3.725 472 HB3 ARG 61 HB1 ARG 61 5.110 5.312 -4.128 473 HG2 ARG 61 HG2 ARG 61 3.747 5.467 -6.111 474 HG3 ARG 61 HG1 ARG 61 3.101 3.851 -5.818 475 HD2 ARG 61 HD2 ARG 61 2.055 4.573 -3.784 476 HD3 ARG 61 HD1 ARG 61 2.821 6.152 -3.900 477 HE ARG 61 HE ARG 61 1.036 5.374 -6.072 478 HH11 ARG 61 HH11 ARG 61 1.550 7.231 -3.146 479 HH12 ARG 61 HH12 ARG 61 0.174 8.269 -3.406 480 HH21 ARG 61 HH21 ARG 61 -0.775 6.724 -6.413 481 HH22 ARG 61 HH22 ARG 61 -1.150 7.972 -5.264 482 H ILE 62 HN ILE 62 6.238 1.854 -3.678 483 HA ILE 62 HA ILE 62 8.310 3.196 -2.201 484 HB ILE 62 HB ILE 62 7.187 0.408 -1.920 485 HG12 ILE 62 HG12 ILE 62 6.586 2.938 -0.382 486 HG13 ILE 62 HG11 ILE 62 5.530 2.198 -1.580 487 HG21 ILE 62 HG21 ILE 62 9.392 0.533 -0.930 488 HG22 ILE 62 HG22 ILE 62 8.169 0.465 0.344 489 HG23 ILE 62 HG23 ILE 62 8.944 2.000 -0.057 490 HD11 ILE 62 HD11 ILE 62 4.928 1.748 0.782 491 HD12 ILE 62 HD12 ILE 62 6.427 0.832 0.930 492 HD13 ILE 62 HD13 ILE 62 5.177 0.305 -0.198 493 H GLY 63 HN GLY 63 8.067 0.483 -4.437 494 HA2 GLY 63 HA2 GLY 63 10.693 -0.477 -4.224 495 HA3 GLY 63 HA1 GLY 63 9.679 -0.610 -5.654 496 H ASP 64 HN ASP 64 9.336 1.968 -6.412 497 HA ASP 64 HA ASP 64 11.819 2.601 -7.636 498 HB2 ASP 64 HB2 ASP 64 9.617 3.083 -8.672 499 HB3 ASP 64 HB1 ASP 64 9.322 4.305 -7.439 500 H PHE 65 HN PHE 65 10.133 3.771 -4.803 501 HA PHE 65 HA PHE 65 11.578 6.092 -4.254 502 HB2 PHE 65 HB2 PHE 65 9.577 5.464 -2.993 503 HB3 PHE 65 HB1 PHE 65 10.410 4.066 -2.324 504 HD1 PHE 65 HD1 PHE 65 10.357 7.765 -2.363 505 HD2 PHE 65 HD2 PHE 65 11.740 4.254 -0.397 506 HE1 PHE 65 HE1 PHE 65 11.102 9.128 -0.456 507 HE2 PHE 65 HE2 PHE 65 12.489 5.612 1.511 508 HZ PHE 65 HZ PHE 65 12.169 8.052 1.482 509 H TYR 66 HN TYR 66 12.166 2.771 -3.153 510 HA TYR 66 HA TYR 66 14.583 3.209 -1.836 511 HB2 TYR 66 HB2 TYR 66 13.172 0.886 -2.992 512 HB3 TYR 66 HB1 TYR 66 14.908 0.695 -2.802 513 HD1 TYR 66 HD2 TYR 66 11.848 1.656 -0.885 514 HD2 TYR 66 HD1 TYR 66 15.787 0.055 -0.770 515 HE1 TYR 66 HE2 TYR 66 11.539 1.074 1.482 516 HE2 TYR 66 HE1 TYR 66 15.494 -0.527 1.592 517 HH TYR 66 HH TYR 66 14.119 -0.561 3.328 518 H GLN 67 HN GLN 67 13.923 2.498 -5.239 519 HA GLN 67 HA GLN 67 16.581 2.166 -6.076 520 HB2 GLN 67 HB2 GLN 67 14.227 3.186 -7.668 521 HB3 GLN 67 HB1 GLN 67 15.735 2.589 -8.343 522 HG2 GLN 67 HG2 GLN 67 15.272 0.382 -7.372 523 HG3 GLN 67 HG1 GLN 67 13.743 0.995 -6.750 524 HE21 GLN 67 HE21 GLN 67 14.254 -1.165 -8.635 525 HE22 GLN 67 HE22 GLN 67 13.390 -0.756 -10.075 526 H GLU 68 HN GLU 68 14.603 5.062 -5.694 527 HA GLU 68 HA GLU 68 16.440 6.813 -6.993 528 HB2 GLU 68 HB2 GLU 68 14.257 7.403 -4.993 529 HB3 GLU 68 HB1 GLU 68 15.158 8.626 -5.877 530 HG2 GLU 68 HG2 GLU 68 14.330 7.555 -7.991 531 HG3 GLU 68 HG1 GLU 68 13.263 6.578 -6.981 532 H LYS 69 HN LYS 69 16.266 5.416 -3.865 533 HA LYS 69 HA LYS 69 18.105 7.356 -2.713 534 HB2 LYS 69 HB2 LYS 69 16.920 4.866 -1.475 535 HB3 LYS 69 HB1 LYS 69 17.785 6.140 -0.629 536 HG2 LYS 69 HG2 LYS 69 15.135 6.416 -2.031 537 HG3 LYS 69 HG1 LYS 69 15.396 6.352 -0.288 538 HD2 LYS 69 HD2 LYS 69 16.671 8.428 -0.393 539 HD3 LYS 69 HD1 LYS 69 16.462 8.479 -2.145 540 HE2 LYS 69 HE2 LYS 69 14.012 8.559 -1.795 541 HE3 LYS 69 HE1 LYS 69 14.293 8.656 -0.062 542 HZ1 LYS 69 HZ1 LYS 69 15.513 10.721 -0.421 543 HZ2 LYS 69 HZ2 LYS 69 13.929 10.842 -1.003 544 HZ3 LYS 69 HZ3 LYS 69 15.211 10.627 -2.082 545 H GLY 70 HN GLY 70 18.428 4.814 -4.718 546 HA2 GLY 70 HA2 GLY 70 20.712 4.296 -5.378 547 HA3 GLY 70 HA1 GLY 70 21.130 4.253 -3.674 548 H TYR 71 HN TYR 71 18.355 2.795 -3.466 549 HA TYR 71 HA TYR 71 19.577 0.160 -3.597 550 HB2 TYR 71 HB2 TYR 71 16.811 0.918 -2.640 551 HB3 TYR 71 HB1 TYR 71 17.650 -0.602 -2.347 552 HD1 TYR 71 HD1 TYR 71 19.656 -0.610 -0.849 553 HD2 TYR 71 HD2 TYR 71 17.154 2.796 -1.286 554 HE1 TYR 71 HE1 TYR 71 20.578 0.330 1.222 555 HE2 TYR 71 HE2 TYR 71 18.065 3.743 0.779 556 HH TYR 71 HH TYR 71 20.828 2.398 2.361 557 H VAL 72 HN VAL 72 19.634 0.451 -6.006 558 HA VAL 72 HA VAL 72 17.227 0.515 -7.513 559 HB VAL 72 HB VAL 72 19.930 -0.460 -8.444 560 HG11 VAL 72 HG11 VAL 72 17.589 0.716 -9.941 561 HG12 VAL 72 HG12 VAL 72 18.138 -0.960 -9.999 562 HG13 VAL 72 HG13 VAL 72 19.158 0.327 -10.644 563 HG21 VAL 72 HG21 VAL 72 20.328 1.860 -9.165 564 HG22 VAL 72 HG22 VAL 72 20.188 1.718 -7.412 565 HG23 VAL 72 HG23 VAL 72 18.840 2.352 -8.356 566 H LEU 73 HN LEU 73 19.031 -2.001 -5.998 567 HA LEU 73 HA LEU 73 17.797 -4.119 -7.533 568 HB2 LEU 73 HB2 LEU 73 19.579 -4.194 -5.113 569 HB3 LEU 73 HB1 LEU 73 19.026 -5.610 -5.982 570 HG LEU 73 HG LEU 73 20.753 -3.427 -7.143 571 HD11 LEU 73 HD11 LEU 73 22.518 -5.146 -7.126 572 HD12 LEU 73 HD12 LEU 73 21.438 -6.215 -6.230 573 HD13 LEU 73 HD13 LEU 73 21.984 -4.702 -5.506 574 HD21 LEU 73 HD21 LEU 73 19.821 -6.055 -8.280 575 HD22 LEU 73 HD22 LEU 73 21.033 -5.006 -9.014 576 HD23 LEU 73 HD23 LEU 73 19.371 -4.443 -8.837 577 H ALA 74 HN ALA 74 16.863 -2.184 -4.994 578 HA ALA 74 HA ALA 74 15.392 -4.174 -3.497 579 HB1 ALA 74 HB1 ALA 74 14.576 -2.245 -2.199 580 HB2 ALA 74 HB2 ALA 74 15.419 -1.166 -3.310 581 HB3 ALA 74 HB3 ALA 74 16.335 -2.289 -2.306 582 H ARG 75 HN ARG 75 13.230 -4.535 -3.567 583 HA ARG 75 HA ARG 75 11.558 -2.897 -5.314 584 HB2 ARG 75 HB2 ARG 75 12.517 -4.818 -6.654 585 HB3 ARG 75 HB1 ARG 75 11.651 -5.906 -5.580 586 HG2 ARG 75 HG2 ARG 75 10.334 -5.674 -7.527 587 HG3 ARG 75 HG1 ARG 75 9.537 -4.733 -6.265 588 HD2 ARG 75 HD2 ARG 75 9.587 -3.543 -8.411 589 HD3 ARG 75 HD1 ARG 75 10.479 -2.684 -7.158 590 HE ARG 75 HE ARG 75 12.491 -3.899 -8.250 591 HH11 ARG 75 HH11 ARG 75 9.707 -2.609 -9.939 592 HH12 ARG 75 HH12 ARG 75 10.589 -2.284 -11.394 593 HH21 ARG 75 HH21 ARG 75 13.651 -3.467 -10.164 594 HH22 ARG 75 HH22 ARG 75 12.830 -2.770 -11.527 595 H ALA 76 HN ALA 76 9.589 -2.605 -4.439 596 HA ALA 76 HA ALA 76 8.874 -4.242 -2.112 597 HB1 ALA 76 HB1 ALA 76 7.792 -1.562 -2.984 598 HB2 ALA 76 HB2 ALA 76 8.993 -1.831 -1.719 599 HB3 ALA 76 HB3 ALA 76 7.346 -2.431 -1.515 600 H PHE 77 HN PHE 77 7.061 -5.462 -2.098 601 HA PHE 77 HA PHE 77 5.167 -5.186 -4.315 602 HB2 PHE 77 HB2 PHE 77 5.133 -7.588 -4.713 603 HB3 PHE 77 HB1 PHE 77 6.764 -6.974 -4.941 604 HD1 PHE 77 HD1 PHE 77 8.537 -7.554 -3.402 605 HD2 PHE 77 HD2 PHE 77 4.595 -9.066 -2.875 606 HE1 PHE 77 HE1 PHE 77 9.399 -9.226 -1.823 607 HE2 PHE 77 HE2 PHE 77 5.448 -10.746 -1.291 608 HZ PHE 77 HZ PHE 77 7.831 -10.849 -0.774 609 H LEU 78 HN LEU 78 3.063 -6.031 -3.840 610 HA LEU 78 HA LEU 78 2.605 -6.169 -0.944 611 HB2 LEU 78 HB2 LEU 78 1.565 -4.291 -2.292 612 HB3 LEU 78 HB1 LEU 78 0.566 -5.505 -3.064 613 HG LEU 78 HG LEU 78 0.562 -5.158 -0.073 614 HD11 LEU 78 HD11 LEU 78 0.049 -2.981 -1.012 615 HD12 LEU 78 HD12 LEU 78 -1.406 -3.720 -0.340 616 HD13 LEU 78 HD13 LEU 78 -1.148 -3.706 -2.085 617 HD21 LEU 78 HD21 LEU 78 -1.676 -6.120 -0.277 618 HD22 LEU 78 HD22 LEU 78 -0.449 -7.192 -0.952 619 HD23 LEU 78 HD23 LEU 78 -1.469 -6.234 -2.026 620 HA PRO 79 HA PRO 79 1.646 -10.488 -1.791 621 HB2 PRO 79 HB2 PRO 79 1.118 -11.090 0.825 622 HB3 PRO 79 HB1 PRO 79 2.745 -11.051 0.140 623 HG2 PRO 79 HG2 PRO 79 1.313 -8.967 1.738 624 HG3 PRO 79 HG1 PRO 79 2.998 -9.505 1.854 625 HD2 PRO 79 HD2 PRO 79 2.309 -7.231 0.596 626 HD3 PRO 79 HD1 PRO 79 3.657 -8.242 0.031 627 H ALA 80 HN ALA 80 -0.278 -10.407 -2.861 628 HA ALA 80 HA ALA 80 -2.636 -9.379 -1.481 629 HB1 ALA 80 HB1 ALA 80 -2.125 -8.499 -3.703 630 HB2 ALA 80 HB2 ALA 80 -3.675 -9.341 -3.682 631 HB3 ALA 80 HB3 ALA 80 -2.256 -10.122 -4.377 632 H GLN 81 HN GLN 81 -1.560 -11.963 -0.736 633 HA GLN 81 HA GLN 81 -3.311 -13.956 -1.832 634 HB2 GLN 81 HB2 GLN 81 -1.071 -14.497 -0.893 635 HB3 GLN 81 HB1 GLN 81 -1.661 -14.053 0.701 636 HG2 GLN 81 HG2 GLN 81 -1.660 -16.462 0.390 637 HG3 GLN 81 HG1 GLN 81 -3.297 -15.847 0.617 638 HE21 GLN 81 HE21 GLN 81 -4.224 -17.620 -0.379 639 HE22 GLN 81 HE22 GLN 81 -4.131 -17.880 -2.088 640 H GLU 82 HN GLU 82 -3.038 -12.352 1.327 641 HA GLU 82 HA GLU 82 -5.960 -12.405 1.515 642 HB2 GLU 82 HB2 GLU 82 -5.148 -14.261 2.895 643 HB3 GLU 82 HB1 GLU 82 -4.067 -13.170 3.747 644 HG2 GLU 82 HG2 GLU 82 -6.059 -13.679 5.052 645 HG3 GLU 82 HG1 GLU 82 -5.956 -11.963 4.662 646 H ILE 83 HN ILE 83 -6.662 -10.403 1.766 647 HA ILE 83 HA ILE 83 -4.956 -8.508 3.225 648 HB ILE 83 HB ILE 83 -6.632 -7.838 0.816 649 HG12 ILE 83 HG12 ILE 83 -3.631 -8.026 1.160 650 HG13 ILE 83 HG11 ILE 83 -4.635 -9.092 0.182 651 HG21 ILE 83 HG21 ILE 83 -5.607 -5.622 1.003 652 HG22 ILE 83 HG22 ILE 83 -4.768 -6.133 2.468 653 HG23 ILE 83 HG23 ILE 83 -6.528 -6.029 2.450 654 HD11 ILE 83 HD11 ILE 83 -4.178 -6.161 -0.286 655 HD12 ILE 83 HD12 ILE 83 -5.201 -7.212 -1.268 656 HD13 ILE 83 HD13 ILE 83 -3.461 -7.490 -1.197 657 H GLN 84 HN GLN 84 -5.948 -8.143 5.068 658 HA GLN 84 HA GLN 84 -8.726 -8.229 5.518 659 HB2 GLN 84 HB2 GLN 84 -8.124 -6.881 7.604 660 HB3 GLN 84 HB1 GLN 84 -7.368 -8.457 7.434 661 HG2 GLN 84 HG2 GLN 84 -5.964 -5.982 6.515 662 HG3 GLN 84 HG1 GLN 84 -5.946 -6.459 8.210 663 HE21 GLN 84 HE21 GLN 84 -3.798 -6.295 6.182 664 HE22 GLN 84 HE22 GLN 84 -3.047 -7.857 6.190 665 H ASP 85 HN ASP 85 -10.238 -6.555 5.730 666 HA ASP 85 HA ASP 85 -9.857 -4.484 3.794 667 HB2 ASP 85 HB2 ASP 85 -12.197 -3.861 4.299 668 HB3 ASP 85 HB1 ASP 85 -12.013 -5.565 3.904 669 H GLY 86 HN GLY 86 -8.048 -3.500 4.942 670 HA2 GLY 86 HA2 GLY 86 -8.629 -0.977 5.791 671 HA3 GLY 86 HA1 GLY 86 -8.609 -1.916 7.276 672 H THR 87 HN THR 87 -6.613 -3.554 7.172 673 HA THR 87 HA THR 87 -4.280 -1.825 6.823 674 HB THR 87 HB THR 87 -4.418 -4.543 8.131 675 HG1 THR 87 HG1 THR 87 -5.517 -2.308 8.960 676 HG21 THR 87 HG21 THR 87 -2.377 -2.322 8.342 677 HG22 THR 87 HG22 THR 87 -2.163 -3.828 7.450 678 HG23 THR 87 HG23 THR 87 -2.327 -3.859 9.206 679 H VAL 88 HN VAL 88 -3.118 -1.999 5.026 680 HA VAL 88 HA VAL 88 -2.998 -4.622 3.685 681 HB VAL 88 HB VAL 88 -2.317 -3.418 1.650 682 HG11 VAL 88 HG11 VAL 88 -4.667 -3.889 1.948 683 HG12 VAL 88 HG12 VAL 88 -4.472 -2.318 1.170 684 HG13 VAL 88 HG13 VAL 88 -4.875 -2.409 2.885 685 HG21 VAL 88 HG21 VAL 88 -1.249 -1.491 2.715 686 HG22 VAL 88 HG22 VAL 88 -2.829 -0.909 3.243 687 HG23 VAL 88 HG23 VAL 88 -2.449 -0.988 1.523 688 H ARG 89 HN ARG 89 -1.008 -5.587 3.436 689 HA ARG 89 HA ARG 89 1.227 -4.090 4.619 690 HB2 ARG 89 HB2 ARG 89 0.378 -6.157 5.855 691 HB3 ARG 89 HB1 ARG 89 1.045 -7.097 4.526 692 HG2 ARG 89 HG2 ARG 89 3.261 -6.184 4.982 693 HG3 ARG 89 HG1 ARG 89 2.598 -5.225 6.303 694 HD2 ARG 89 HD2 ARG 89 3.625 -7.164 7.232 695 HD3 ARG 89 HD1 ARG 89 1.880 -7.337 7.393 696 HE ARG 89 HE ARG 89 2.151 -8.727 5.234 697 HH11 ARG 89 HH11 ARG 89 4.439 -8.606 7.884 698 HH12 ARG 89 HH12 ARG 89 5.042 -10.207 7.601 699 HH21 ARG 89 HH21 ARG 89 2.952 -10.837 4.861 700 HH22 ARG 89 HH22 ARG 89 4.203 -11.469 5.887 701 H ILE 90 HN ILE 90 2.975 -3.774 3.478 702 HA ILE 90 HA ILE 90 3.233 -5.122 0.868 703 HB ILE 90 HB ILE 90 4.259 -2.412 1.746 704 HG12 ILE 90 HG12 ILE 90 2.101 -3.149 -0.244 705 HG13 ILE 90 HG11 ILE 90 1.823 -2.489 1.363 706 HG21 ILE 90 HG21 ILE 90 5.795 -3.470 0.185 707 HG22 ILE 90 HG22 ILE 90 4.958 -2.121 -0.584 708 HG23 ILE 90 HG23 ILE 90 4.468 -3.777 -0.935 709 HD11 ILE 90 HD11 ILE 90 2.959 -0.431 0.716 710 HD12 ILE 90 HD12 ILE 90 1.594 -0.782 -0.344 711 HD13 ILE 90 HD13 ILE 90 3.241 -1.094 -0.893 712 H GLU 91 HN GLU 91 5.052 -6.307 0.518 713 HA GLU 91 HA GLU 91 7.001 -6.386 2.691 714 HB2 GLU 91 HB2 GLU 91 6.586 -8.253 0.352 715 HB3 GLU 91 HB1 GLU 91 7.846 -8.441 1.563 716 HG2 GLU 91 HG2 GLU 91 5.984 -8.499 3.279 717 HG3 GLU 91 HG1 GLU 91 4.879 -8.668 1.920 718 H VAL 92 HN VAL 92 8.923 -5.564 2.538 719 HA VAL 92 HA VAL 92 9.673 -4.276 0.019 720 HB VAL 92 HB VAL 92 10.670 -3.779 2.829 721 HG11 VAL 92 HG11 VAL 92 11.215 -2.284 0.269 722 HG12 VAL 92 HG12 VAL 92 12.371 -3.252 1.185 723 HG13 VAL 92 HG13 VAL 92 11.714 -1.771 1.882 724 HG21 VAL 92 HG21 VAL 92 8.727 -2.245 1.110 725 HG22 VAL 92 HG22 VAL 92 9.417 -1.643 2.618 726 HG23 VAL 92 HG23 VAL 92 8.380 -3.071 2.632 727 H LEU 93 HN LEU 93 10.793 -5.767 -1.122 728 HA LEU 93 HA LEU 93 12.897 -7.323 0.117 729 HB2 LEU 93 HB2 LEU 93 11.579 -8.301 -1.699 730 HB3 LEU 93 HB1 LEU 93 12.068 -7.007 -2.774 731 HG LEU 93 HG LEU 93 14.421 -7.801 -2.589 732 HD11 LEU 93 HD11 LEU 93 14.306 -8.913 -0.447 733 HD12 LEU 93 HD12 LEU 93 14.808 -10.059 -1.691 734 HD13 LEU 93 HD13 LEU 93 13.152 -10.084 -1.086 735 HD21 LEU 93 HD21 LEU 93 12.996 -8.457 -4.465 736 HD22 LEU 93 HD22 LEU 93 12.433 -9.857 -3.550 737 HD23 LEU 93 HD23 LEU 93 14.125 -9.740 -4.033 738 H GLU 94 HN GLU 94 14.399 -5.873 0.865 739 HA GLU 94 HA GLU 94 15.186 -3.568 -0.598 740 HB2 GLU 94 HB2 GLU 94 16.598 -4.900 1.716 741 HB3 GLU 94 HB1 GLU 94 16.854 -3.254 1.154 742 HG2 GLU 94 HG2 GLU 94 14.480 -2.767 1.713 743 HG3 GLU 94 HG1 GLU 94 14.366 -4.379 2.415 744 H GLY 95 HN GLY 95 16.144 -6.846 -0.701 745 HA2 GLY 95 HA2 GLY 95 17.246 -7.594 -2.698 746 HA3 GLY 95 HA1 GLY 95 18.148 -6.087 -2.714 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -29.781 0.037 8.873 2 H2 MET 1 HT2 MET 1 -30.481 -0.774 10.180 3 H3 MET 1 HT3 MET 1 -29.245 -1.509 9.293 4 HA MET 1 HA MET 1 -28.942 0.959 10.892 5 HB2 MET 1 HB2 MET 1 -28.188 -1.905 11.480 6 HB3 MET 1 HB1 MET 1 -27.520 -0.536 12.354 7 HG2 MET 1 HG2 MET 1 -29.774 0.087 13.080 8 HG3 MET 1 HG1 MET 1 -30.425 -1.308 12.223 9 HE1 MET 1 HE1 MET 1 -28.156 -3.504 12.793 10 HE2 MET 1 HE2 MET 1 -29.888 -3.826 12.879 11 HE3 MET 1 HE3 MET 1 -28.838 -4.290 14.217 12 H ALA 2 HN ALA 2 -28.182 0.554 8.127 13 HA ALA 2 HA ALA 2 -25.283 0.815 8.429 14 HB1 ALA 2 HB1 ALA 2 -26.636 -0.907 6.352 15 HB2 ALA 2 HB2 ALA 2 -25.648 -1.476 7.698 16 HB3 ALA 2 HB3 ALA 2 -24.915 -0.529 6.404 17 H HIS 3 HN HIS 3 -24.985 2.876 7.867 18 HA HIS 3 HA HIS 3 -26.599 4.011 5.694 19 HB2 HIS 3 HB2 HIS 3 -24.882 5.327 7.805 20 HB3 HIS 3 HB1 HIS 3 -25.681 6.202 6.506 21 HD1 HIS 3 HD1 HIS 3 -26.263 4.725 9.834 22 HD2 HIS 3 HD2 HIS 3 -28.532 6.249 6.702 23 HE1 HIS 3 HE1 HIS 3 -28.555 5.124 10.789 24 HE2 HIS 3 HE2 HIS 3 -29.935 5.959 8.852 25 H HIS 4 HN HIS 4 -23.541 2.725 6.274 26 HA HIS 4 HA HIS 4 -22.272 4.396 4.225 27 HB2 HIS 4 HB2 HIS 4 -21.049 2.523 6.258 28 HB3 HIS 4 HB1 HIS 4 -20.138 3.430 5.056 29 HD1 HIS 4 HD1 HIS 4 -21.563 3.680 8.409 30 HD2 HIS 4 HD2 HIS 4 -20.262 6.303 5.460 31 HE1 HIS 4 HE1 HIS 4 -21.271 5.894 9.558 32 HE2 HIS 4 HE2 HIS 4 -20.644 7.497 7.724 33 H HIS 5 HN HIS 5 -23.777 3.035 2.768 34 HA HIS 5 HA HIS 5 -22.533 0.506 2.025 35 HB2 HIS 5 HB2 HIS 5 -24.818 2.021 0.732 36 HB3 HIS 5 HB1 HIS 5 -24.230 0.451 0.207 37 HD1 HIS 5 HD1 HIS 5 -26.908 1.798 2.005 38 HD2 HIS 5 HD2 HIS 5 -24.351 -1.412 2.673 39 HE1 HIS 5 HE1 HIS 5 -28.116 0.296 3.617 40 HE2 HIS 5 HE2 HIS 5 -26.511 -1.589 4.085 41 H HIS 6 HN HIS 6 -23.349 3.511 0.295 42 HA HIS 6 HA HIS 6 -20.652 3.445 -0.865 43 HB2 HIS 6 HB2 HIS 6 -23.226 3.999 -2.350 44 HB3 HIS 6 HB1 HIS 6 -21.637 4.408 -2.984 45 HD1 HIS 6 HD1 HIS 6 -20.297 1.687 -1.939 46 HD2 HIS 6 HD2 HIS 6 -23.736 2.042 -4.247 47 HE1 HIS 6 HE1 HIS 6 -20.516 -0.493 -3.161 48 HE2 HIS 6 HE2 HIS 6 -22.486 -0.186 -4.698 49 H HIS 7 HN HIS 7 -22.673 5.040 1.103 50 HA HIS 7 HA HIS 7 -22.077 7.736 0.255 51 HB2 HIS 7 HB2 HIS 7 -23.424 6.600 2.705 52 HB3 HIS 7 HB1 HIS 7 -23.050 8.314 2.555 53 HD1 HIS 7 HD1 HIS 7 -25.901 6.533 2.453 54 HD2 HIS 7 HD2 HIS 7 -24.084 8.876 -0.460 55 HE1 HIS 7 HE1 HIS 7 -27.736 7.174 0.857 56 HE2 HIS 7 HE2 HIS 7 -26.581 8.451 -0.980 57 H HIS 8 HN HIS 8 -20.416 8.951 0.876 58 HA HIS 8 HA HIS 8 -18.328 9.447 1.587 59 HB2 HIS 8 HB2 HIS 8 -19.212 9.534 3.837 60 HB3 HIS 8 HB1 HIS 8 -19.158 7.781 3.977 61 HD1 HIS 8 HD1 HIS 8 -16.821 10.760 3.762 62 HD2 HIS 8 HD2 HIS 8 -16.798 6.774 4.942 63 HE1 HIS 8 HE1 HIS 8 -14.587 10.389 4.856 64 HE2 HIS 8 HE2 HIS 8 -14.665 8.022 5.707 65 H VAL 9 HN VAL 9 -17.223 8.478 -0.035 66 HA VAL 9 HA VAL 9 -15.637 7.134 -0.946 67 HB VAL 9 HB VAL 9 -15.711 5.648 1.681 68 HG11 VAL 9 HG11 VAL 9 -13.600 4.659 0.983 69 HG12 VAL 9 HG12 VAL 9 -13.717 5.484 -0.572 70 HG13 VAL 9 HG13 VAL 9 -14.891 4.241 -0.142 71 HG21 VAL 9 HG21 VAL 9 -13.801 7.731 0.620 72 HG22 VAL 9 HG22 VAL 9 -13.627 6.858 2.142 73 HG23 VAL 9 HG23 VAL 9 -14.982 7.962 1.910 74 H ASP 10 HN ASP 10 -16.280 5.981 -2.586 75 HA ASP 10 HA ASP 10 -17.898 3.575 -2.074 76 HB2 ASP 10 HB2 ASP 10 -19.031 3.861 -4.169 77 HB3 ASP 10 HB1 ASP 10 -19.137 5.393 -3.309 78 H ASP 11 HN ASP 11 -17.479 1.789 -3.510 79 HA ASP 11 HA ASP 11 -14.674 1.770 -4.383 80 HB2 ASP 11 HB2 ASP 11 -14.661 -0.586 -3.976 81 HB3 ASP 11 HB1 ASP 11 -15.418 0.173 -2.582 82 H ASP 12 HN ASP 12 -17.231 2.579 -5.856 83 HA ASP 12 HA ASP 12 -18.072 2.506 -7.957 84 HB2 ASP 12 HB2 ASP 12 -15.491 1.054 -8.557 85 HB3 ASP 12 HB1 ASP 12 -16.623 1.610 -9.782 86 H ASP 13 HN ASP 13 -18.473 0.229 -6.026 87 HA ASP 13 HA ASP 13 -19.579 -1.747 -5.909 88 HB2 ASP 13 HB2 ASP 13 -20.457 -0.855 -8.652 89 HB3 ASP 13 HB1 ASP 13 -21.033 -2.350 -7.928 90 H LYS 14 HN LYS 14 -17.094 -2.280 -6.116 91 HA LYS 14 HA LYS 14 -15.471 -3.713 -6.779 92 HB2 LYS 14 HB2 LYS 14 -17.462 -5.253 -6.244 93 HB3 LYS 14 HB1 LYS 14 -17.640 -5.422 -7.981 94 HG2 LYS 14 HG2 LYS 14 -15.016 -6.000 -6.659 95 HG3 LYS 14 HG1 LYS 14 -16.309 -7.197 -6.657 96 HD2 LYS 14 HD2 LYS 14 -15.145 -5.919 -9.133 97 HD3 LYS 14 HD1 LYS 14 -14.684 -7.503 -8.505 98 HE2 LYS 14 HE2 LYS 14 -16.993 -8.276 -8.781 99 HE3 LYS 14 HE1 LYS 14 -17.449 -6.695 -9.409 100 HZ1 LYS 14 HZ1 LYS 14 -15.929 -7.032 -11.257 101 HZ2 LYS 14 HZ2 LYS 14 -17.077 -8.269 -11.187 102 HZ3 LYS 14 HZ3 LYS 14 -15.500 -8.552 -10.655 103 H MET 15 HN MET 15 -14.873 -1.999 -8.293 104 HA MET 15 HA MET 15 -15.128 -2.911 -11.084 105 HB2 MET 15 HB2 MET 15 -16.214 -0.750 -10.779 106 HB3 MET 15 HB1 MET 15 -14.764 -0.101 -10.029 107 HG2 MET 15 HG2 MET 15 -13.553 -0.414 -12.146 108 HG3 MET 15 HG1 MET 15 -15.043 -0.993 -12.888 109 HE1 MET 15 HE1 MET 15 -17.302 2.177 -12.873 110 HE2 MET 15 HE2 MET 15 -17.269 0.871 -11.687 111 HE3 MET 15 HE3 MET 15 -17.133 0.506 -13.406 112 H GLY 16 HN GLY 16 -13.288 -3.458 -12.078 113 HA2 GLY 16 HA2 GLY 16 -11.022 -3.596 -12.527 114 HA3 GLY 16 HA1 GLY 16 -10.745 -2.336 -11.332 115 H GLY 17 HN GLY 17 -12.432 -5.379 -10.840 116 HA2 GLY 17 HA2 GLY 17 -11.685 -7.285 -9.684 117 HA3 GLY 17 HA1 GLY 17 -10.208 -6.424 -9.273 118 HA PRO 18 HA PRO 18 -13.209 -6.584 -5.582 119 HB2 PRO 18 HB2 PRO 18 -11.279 -7.743 -3.964 120 HB3 PRO 18 HB1 PRO 18 -12.597 -8.610 -4.752 121 HG2 PRO 18 HG2 PRO 18 -9.746 -8.329 -5.583 122 HG3 PRO 18 HG1 PRO 18 -10.816 -9.737 -5.698 123 HD2 PRO 18 HD2 PRO 18 -10.238 -8.219 -7.833 124 HD3 PRO 18 HD1 PRO 18 -11.841 -8.951 -7.617 125 H THR 19 HN THR 19 -13.072 -5.119 -3.898 126 HA THR 19 HA THR 19 -10.733 -3.331 -4.002 127 HB THR 19 HB THR 19 -12.382 -1.620 -3.038 128 HG1 THR 19 HG1 THR 19 -14.601 -2.472 -4.071 129 HG21 THR 19 HG21 THR 19 -12.835 -2.682 -5.836 130 HG22 THR 19 HG22 THR 19 -11.576 -1.545 -5.354 131 HG23 THR 19 HG23 THR 19 -13.271 -1.072 -5.266 132 H VAL 20 HN VAL 20 -9.762 -2.667 -2.151 133 HA VAL 20 HA VAL 20 -10.720 -3.871 0.357 134 HB VAL 20 HB VAL 20 -7.888 -3.202 -0.298 135 HG11 VAL 20 HG11 VAL 20 -9.086 -4.789 1.955 136 HG12 VAL 20 HG12 VAL 20 -8.367 -3.183 2.072 137 HG13 VAL 20 HG13 VAL 20 -7.361 -4.574 1.666 138 HG21 VAL 20 HG21 VAL 20 -7.496 -5.611 -0.557 139 HG22 VAL 20 HG22 VAL 20 -8.607 -4.984 -1.776 140 HG23 VAL 20 HG23 VAL 20 -9.230 -5.892 -0.396 141 H LEU 21 HN LEU 21 -11.398 -2.390 1.808 142 HA LEU 21 HA LEU 21 -10.803 0.383 1.513 143 HB2 LEU 21 HB2 LEU 21 -12.880 -0.253 2.582 144 HB3 LEU 21 HB1 LEU 21 -12.016 -1.155 3.813 145 HG LEU 21 HG LEU 21 -11.027 0.986 4.624 146 HD11 LEU 21 HD11 LEU 21 -11.950 3.100 3.915 147 HD12 LEU 21 HD12 LEU 21 -13.011 2.285 2.763 148 HD13 LEU 21 HD13 LEU 21 -11.263 2.257 2.526 149 HD21 LEU 21 HD21 LEU 21 -12.953 0.026 5.726 150 HD22 LEU 21 HD22 LEU 21 -14.034 0.828 4.585 151 HD23 LEU 21 HD23 LEU 21 -13.072 1.786 5.711 152 H VAL 22 HN VAL 22 -8.814 1.039 1.734 153 HA VAL 22 HA VAL 22 -7.075 -0.142 3.747 154 HB VAL 22 HB VAL 22 -6.482 1.992 1.693 155 HG11 VAL 22 HG11 VAL 22 -4.982 2.006 3.653 156 HG12 VAL 22 HG12 VAL 22 -4.145 1.546 2.172 157 HG13 VAL 22 HG13 VAL 22 -4.596 0.312 3.348 158 HG21 VAL 22 HG21 VAL 22 -5.354 0.213 0.443 159 HG22 VAL 22 HG22 VAL 22 -7.082 -0.093 0.616 160 HG23 VAL 22 HG23 VAL 22 -5.928 -0.968 1.621 161 H LYS 23 HN LYS 23 -7.073 0.704 5.721 162 HA LYS 23 HA LYS 23 -7.727 3.540 6.065 163 HB2 LYS 23 HB2 LYS 23 -7.292 1.391 8.153 164 HB3 LYS 23 HB1 LYS 23 -7.880 3.021 8.449 165 HG2 LYS 23 HG2 LYS 23 -9.883 2.536 7.128 166 HG3 LYS 23 HG1 LYS 23 -9.293 0.896 6.852 167 HD2 LYS 23 HD2 LYS 23 -9.283 0.540 9.306 168 HD3 LYS 23 HD1 LYS 23 -10.000 2.138 9.507 169 HE2 LYS 23 HE2 LYS 23 -11.927 1.428 8.165 170 HE3 LYS 23 HE1 LYS 23 -11.212 -0.176 7.999 171 HZ1 LYS 23 HZ1 LYS 23 -12.853 -0.160 9.748 172 HZ2 LYS 23 HZ2 LYS 23 -12.060 1.107 10.538 173 HZ3 LYS 23 HZ3 LYS 23 -11.319 -0.406 10.417 174 H ARG 24 HN ARG 24 -5.155 1.260 6.129 175 HA ARG 24 HA ARG 24 -3.171 3.309 6.368 176 HB2 ARG 24 HB2 ARG 24 -2.079 2.333 8.384 177 HB3 ARG 24 HB1 ARG 24 -3.644 3.058 8.730 178 HG2 ARG 24 HG2 ARG 24 -4.689 0.890 8.800 179 HG3 ARG 24 HG1 ARG 24 -3.184 0.116 8.303 180 HD2 ARG 24 HD2 ARG 24 -3.588 -0.086 10.717 181 HD3 ARG 24 HD1 ARG 24 -2.110 0.803 10.355 182 HE ARG 24 HE ARG 24 -4.233 2.624 10.657 183 HH11 ARG 24 HH11 ARG 24 -2.283 0.419 12.541 184 HH12 ARG 24 HH12 ARG 24 -2.408 1.346 14.002 185 HH21 ARG 24 HH21 ARG 24 -4.418 3.848 12.571 186 HH22 ARG 24 HH22 ARG 24 -3.629 3.307 14.017 187 H PHE 25 HN PHE 25 -0.985 2.426 6.187 188 HA PHE 25 HA PHE 25 -0.966 -0.164 4.783 189 HB2 PHE 25 HB2 PHE 25 0.794 2.277 4.478 190 HB3 PHE 25 HB1 PHE 25 1.182 0.717 3.760 191 HD1 PHE 25 HD1 PHE 25 -1.555 3.238 3.892 192 HD2 PHE 25 HD2 PHE 25 0.445 0.241 1.638 193 HE1 PHE 25 HE1 PHE 25 -2.935 3.789 1.942 194 HE2 PHE 25 HE2 PHE 25 -0.930 0.789 -0.318 195 HZ PHE 25 HZ PHE 25 -2.629 2.566 -0.174 196 H GLN 26 HN GLN 26 0.831 -1.546 5.132 197 HA GLN 26 HA GLN 26 2.506 -0.949 7.466 198 HB2 GLN 26 HB2 GLN 26 0.562 -2.377 8.152 199 HB3 GLN 26 HB1 GLN 26 1.098 -3.589 7.001 200 HG2 GLN 26 HG2 GLN 26 1.825 -4.249 9.165 201 HG3 GLN 26 HG1 GLN 26 3.240 -3.741 8.248 202 HE21 GLN 26 HE21 GLN 26 0.979 -1.447 9.579 203 HE22 GLN 26 HE22 GLN 26 2.034 -0.818 10.792 204 H LEU 27 HN LEU 27 4.605 -1.710 7.263 205 HA LEU 27 HA LEU 27 5.202 -2.979 4.670 206 HB2 LEU 27 HB2 LEU 27 6.808 -1.152 6.439 207 HB3 LEU 27 HB1 LEU 27 7.556 -2.107 5.177 208 HG LEU 27 HG LEU 27 7.219 0.104 4.341 209 HD11 LEU 27 HD11 LEU 27 6.839 -1.701 2.756 210 HD12 LEU 27 HD12 LEU 27 5.823 -0.307 2.396 211 HD13 LEU 27 HD13 LEU 27 5.129 -1.721 3.185 212 HD21 LEU 27 HD21 LEU 27 5.472 0.831 5.880 213 HD22 LEU 27 HD22 LEU 27 4.309 -0.200 5.048 214 HD23 LEU 27 HD23 LEU 27 5.038 1.166 4.204 215 H SER 28 HN SER 28 6.744 -4.638 4.576 216 HA SER 28 HA SER 28 7.465 -5.855 7.146 217 HB2 SER 28 HB2 SER 28 5.499 -7.021 6.143 218 HB3 SER 28 HB1 SER 28 6.485 -7.384 4.728 219 HG SER 28 HG SER 28 7.633 -8.807 5.852 220 H GLY 29 HN GLY 29 9.591 -6.190 7.290 221 HA2 GLY 29 HA2 GLY 29 11.630 -7.133 6.593 222 HA3 GLY 29 HA1 GLY 29 11.054 -7.107 4.935 223 H ASN 30 HN ASN 30 10.335 -4.147 6.077 224 HA ASN 30 HA ASN 30 12.488 -2.898 4.679 225 HB2 ASN 30 HB2 ASN 30 11.405 -0.772 5.427 226 HB3 ASN 30 HB1 ASN 30 10.324 -1.861 4.570 227 HD21 ASN 30 HD21 ASN 30 9.871 0.319 6.546 228 HD22 ASN 30 HD22 ASN 30 8.872 -0.397 7.768 229 H ARG 31 HN ARG 31 14.394 -2.357 5.429 230 HA ARG 31 HA ARG 31 14.718 -1.956 8.336 231 HB2 ARG 31 HB2 ARG 31 16.681 -3.160 6.375 232 HB3 ARG 31 HB1 ARG 31 17.046 -2.785 8.054 233 HG2 ARG 31 HG2 ARG 31 14.992 -4.767 7.095 234 HG3 ARG 31 HG1 ARG 31 16.584 -5.149 7.754 235 HD2 ARG 31 HD2 ARG 31 14.307 -3.797 9.196 236 HD3 ARG 31 HD1 ARG 31 14.899 -5.434 9.465 237 HE ARG 31 HE ARG 31 17.096 -3.975 9.936 238 HH11 ARG 31 HH11 ARG 31 13.808 -3.675 11.084 239 HH12 ARG 31 HH12 ARG 31 14.262 -2.918 12.577 240 HH21 ARG 31 HH21 ARG 31 17.706 -2.974 11.897 241 HH22 ARG 31 HH22 ARG 31 16.482 -2.529 13.045 242 H GLN 32 HN GLN 32 15.564 -0.958 5.090 243 HA GLN 32 HA GLN 32 17.428 1.062 5.852 244 HB2 GLN 32 HB2 GLN 32 15.821 0.765 3.306 245 HB3 GLN 32 HB1 GLN 32 17.192 1.842 3.519 246 HG2 GLN 32 HG2 GLN 32 17.237 -1.163 3.629 247 HG3 GLN 32 HG1 GLN 32 17.859 -0.147 2.330 248 HE21 GLN 32 HE21 GLN 32 18.991 1.824 4.141 249 HE22 GLN 32 HE22 GLN 32 20.399 1.096 4.829 250 H PHE 33 HN PHE 33 13.981 1.050 5.091 251 HA PHE 33 HA PHE 33 13.790 3.718 6.308 252 HB2 PHE 33 HB2 PHE 33 12.215 2.758 3.906 253 HB3 PHE 33 HB1 PHE 33 12.036 4.316 4.703 254 HD1 PHE 33 HD2 PHE 33 13.970 5.926 4.662 255 HD2 PHE 33 HD1 PHE 33 13.837 2.428 2.246 256 HE1 PHE 33 HE2 PHE 33 15.700 6.877 3.195 257 HE2 PHE 33 HE1 PHE 33 15.568 3.371 0.777 258 HZ PHE 33 HZ PHE 33 16.503 5.599 1.254 259 H ASP 34 HN ASP 34 12.153 3.987 7.738 260 HA ASP 34 HA ASP 34 10.911 1.582 8.717 261 HB2 ASP 34 HB2 ASP 34 10.058 3.042 10.522 262 HB3 ASP 34 HB1 ASP 34 11.798 3.184 10.309 263 H ASP 35 HN ASP 35 8.525 1.689 9.390 264 HA ASP 35 HA ASP 35 6.970 1.681 7.093 265 HB2 ASP 35 HB2 ASP 35 6.087 1.928 9.970 266 HB3 ASP 35 HB1 ASP 35 4.986 1.655 8.629 267 H ARG 36 HN ARG 36 6.969 4.092 9.684 268 HA ARG 36 HA ARG 36 5.205 5.962 8.787 269 HB2 ARG 36 HB2 ARG 36 6.243 6.319 10.848 270 HB3 ARG 36 HB1 ARG 36 7.851 6.222 10.149 271 HG2 ARG 36 HG2 ARG 36 7.164 8.346 8.857 272 HG3 ARG 36 HG1 ARG 36 5.904 8.479 10.091 273 HD2 ARG 36 HD2 ARG 36 7.923 9.715 10.704 274 HD3 ARG 36 HD1 ARG 36 7.563 8.409 11.833 275 HE ARG 36 HE ARG 36 9.274 7.168 10.239 276 HH11 ARG 36 HH11 ARG 36 9.451 10.391 11.603 277 HH12 ARG 36 HH12 ARG 36 11.186 10.432 11.601 278 HH21 ARG 36 HH21 ARG 36 11.546 7.199 10.251 279 HH22 ARG 36 HH22 ARG 36 12.384 8.602 10.855 280 H ARG 37 HN ARG 37 8.577 5.612 7.771 281 HA ARG 37 HA ARG 37 8.652 7.872 6.087 282 HB2 ARG 37 HB2 ARG 37 10.659 6.751 6.982 283 HB3 ARG 37 HB1 ARG 37 10.322 5.354 5.970 284 HG2 ARG 37 HG2 ARG 37 12.065 6.734 5.000 285 HG3 ARG 37 HG1 ARG 37 10.630 6.721 3.971 286 HD2 ARG 37 HD2 ARG 37 9.958 8.883 4.830 287 HD3 ARG 37 HD1 ARG 37 11.317 8.891 5.948 288 HE ARG 37 HE ARG 37 12.791 9.103 4.044 289 HH11 ARG 37 HH11 ARG 37 9.389 9.555 3.369 290 HH12 ARG 37 HH12 ARG 37 9.663 10.556 1.980 291 HH21 ARG 37 HH21 ARG 37 13.160 10.439 2.225 292 HH22 ARG 37 HH22 ARG 37 11.807 11.064 1.330 293 H LEU 38 HN LEU 38 7.937 4.457 5.439 294 HA LEU 38 HA LEU 38 7.714 4.924 2.607 295 HB2 LEU 38 HB2 LEU 38 7.276 2.530 4.356 296 HB3 LEU 38 HB1 LEU 38 6.756 2.513 2.686 297 HG LEU 38 HG LEU 38 8.797 1.906 2.041 298 HD11 LEU 38 HD11 LEU 38 10.779 3.332 2.407 299 HD12 LEU 38 HD12 LEU 38 9.809 4.351 3.472 300 HD13 LEU 38 HD13 LEU 38 9.392 4.209 1.763 301 HD21 LEU 38 HD21 LEU 38 9.509 2.129 4.953 302 HD22 LEU 38 HD22 LEU 38 10.548 1.409 3.724 303 HD23 LEU 38 HD23 LEU 38 8.983 0.687 4.085 304 H LEU 39 HN LEU 39 5.584 4.917 5.314 305 HA LEU 39 HA LEU 39 3.110 4.512 4.040 306 HB2 LEU 39 HB2 LEU 39 4.061 5.646 6.588 307 HB3 LEU 39 HB1 LEU 39 2.502 6.234 6.055 308 HG LEU 39 HG LEU 39 1.499 4.126 6.246 309 HD11 LEU 39 HD11 LEU 39 2.765 2.045 6.624 310 HD12 LEU 39 HD12 LEU 39 4.265 2.942 6.387 311 HD13 LEU 39 HD13 LEU 39 3.113 2.780 5.061 312 HD21 LEU 39 HD21 LEU 39 3.550 4.207 8.450 313 HD22 LEU 39 HD22 LEU 39 1.961 3.438 8.504 314 HD23 LEU 39 HD23 LEU 39 2.089 5.194 8.396 315 H ALA 40 HN ALA 40 5.073 7.388 4.455 316 HA ALA 40 HA ALA 40 3.221 9.304 3.572 317 HB1 ALA 40 HB1 ALA 40 5.340 9.875 4.666 318 HB2 ALA 40 HB2 ALA 40 5.151 10.727 3.133 319 HB3 ALA 40 HB3 ALA 40 6.222 9.330 3.240 320 H LEU 41 HN LEU 41 5.126 6.981 1.809 321 HA LEU 41 HA LEU 41 4.900 8.106 -0.769 322 HB2 LEU 41 HB2 LEU 41 5.309 5.317 0.254 323 HB3 LEU 41 HB1 LEU 41 5.099 5.618 -1.460 324 HG LEU 41 HG LEU 41 7.172 7.216 -0.054 325 HD11 LEU 41 HD11 LEU 41 8.790 5.476 -0.106 326 HD12 LEU 41 HD12 LEU 41 7.664 4.376 -0.893 327 HD13 LEU 41 HD13 LEU 41 7.397 4.854 0.778 328 HD21 LEU 41 HD21 LEU 41 7.118 5.789 -2.709 329 HD22 LEU 41 HD22 LEU 41 8.296 6.991 -2.170 330 HD23 LEU 41 HD23 LEU 41 6.621 7.465 -2.460 331 H LEU 42 HN LEU 42 2.702 6.290 1.222 332 HA LEU 42 HA LEU 42 0.823 6.044 -1.030 333 HB2 LEU 42 HB2 LEU 42 0.662 4.711 1.670 334 HB3 LEU 42 HB1 LEU 42 -0.378 4.413 0.298 335 HG LEU 42 HG LEU 42 0.936 2.608 0.059 336 HD11 LEU 42 HD11 LEU 42 1.402 3.879 -1.943 337 HD12 LEU 42 HD12 LEU 42 2.812 2.931 -1.468 338 HD13 LEU 42 HD13 LEU 42 2.766 4.667 -1.149 339 HD21 LEU 42 HD21 LEU 42 3.150 2.342 0.931 340 HD22 LEU 42 HD22 LEU 42 2.112 3.056 2.162 341 HD23 LEU 42 HD23 LEU 42 3.262 4.065 1.281 342 H HIS 43 HN HIS 43 1.511 8.321 0.921 343 HA HIS 43 HA HIS 43 -0.374 8.819 2.818 344 HB2 HIS 43 HB2 HIS 43 0.285 11.086 2.754 345 HB3 HIS 43 HB1 HIS 43 1.682 10.177 2.210 346 HD1 HIS 43 HD1 HIS 43 -0.529 12.914 1.243 347 HD2 HIS 43 HD2 HIS 43 2.062 10.301 -0.692 348 HE1 HIS 43 HE1 HIS 43 -0.090 13.940 -1.009 349 HE2 HIS 43 HE2 HIS 43 1.325 12.247 -2.228 350 H ASP 44 HN ASP 44 -0.916 9.058 -0.636 351 HA ASP 44 HA ASP 44 -3.437 10.498 -0.178 352 HB2 ASP 44 HB2 ASP 44 -3.374 10.973 -2.609 353 HB3 ASP 44 HB1 ASP 44 -1.942 11.566 -1.771 354 H LEU 45 HN LEU 45 -2.714 7.433 -0.089 355 HA LEU 45 HA LEU 45 -4.604 6.515 -2.119 356 HB2 LEU 45 HB2 LEU 45 -2.614 5.018 -0.436 357 HB3 LEU 45 HB1 LEU 45 -3.784 4.224 -1.470 358 HG LEU 45 HG LEU 45 -1.619 6.116 -2.397 359 HD11 LEU 45 HD11 LEU 45 -0.783 3.938 -1.635 360 HD12 LEU 45 HD12 LEU 45 -0.609 4.142 -3.379 361 HD13 LEU 45 HD13 LEU 45 -1.905 3.135 -2.734 362 HD21 LEU 45 HD21 LEU 45 -2.302 5.395 -4.654 363 HD22 LEU 45 HD22 LEU 45 -3.574 6.283 -3.817 364 HD23 LEU 45 HD23 LEU 45 -3.664 4.526 -3.945 365 HA PRO 46 HA PRO 46 -6.414 4.259 1.611 366 HB2 PRO 46 HB2 PRO 46 -5.794 4.876 4.140 367 HB3 PRO 46 HB1 PRO 46 -4.778 3.827 3.154 368 HG2 PRO 46 HG2 PRO 46 -4.407 6.703 3.844 369 HG3 PRO 46 HG1 PRO 46 -3.205 5.403 3.729 370 HD2 PRO 46 HD2 PRO 46 -3.693 7.277 1.756 371 HD3 PRO 46 HD1 PRO 46 -2.943 5.695 1.482 372 H GLY 47 HN GLY 47 -7.987 4.695 3.500 373 HA2 GLY 47 HA2 GLY 47 -9.728 5.997 4.348 374 HA3 GLY 47 HA1 GLY 47 -9.139 7.369 3.406 375 H GLN 48 HN GLN 48 -8.988 5.010 1.300 376 HA GLN 48 HA GLN 48 -11.783 5.200 0.407 377 HB2 GLN 48 HB2 GLN 48 -9.239 5.424 -1.204 378 HB3 GLN 48 HB1 GLN 48 -10.801 5.100 -1.936 379 HG2 GLN 48 HG2 GLN 48 -11.651 7.217 -1.111 380 HG3 GLN 48 HG1 GLN 48 -10.109 7.541 -0.319 381 HE21 GLN 48 HE21 GLN 48 -11.782 7.297 -3.355 382 HE22 GLN 48 HE22 GLN 48 -10.583 8.095 -4.314 383 H GLU 49 HN GLU 49 -12.120 3.456 -1.402 384 HA GLU 49 HA GLU 49 -11.016 0.949 -0.358 385 HB2 GLU 49 HB2 GLU 49 -13.447 1.472 -2.083 386 HB3 GLU 49 HB1 GLU 49 -12.882 -0.131 -1.630 387 HG2 GLU 49 HG2 GLU 49 -13.166 0.488 0.740 388 HG3 GLU 49 HG1 GLU 49 -13.854 2.026 0.224 389 H LEU 50 HN LEU 50 -9.148 0.663 -1.320 390 HA LEU 50 HA LEU 50 -8.722 1.380 -4.091 391 HB2 LEU 50 HB2 LEU 50 -6.903 0.208 -1.985 392 HB3 LEU 50 HB1 LEU 50 -6.381 0.625 -3.603 393 HG LEU 50 HG LEU 50 -5.645 2.405 -2.283 394 HD11 LEU 50 HD11 LEU 50 -6.945 4.342 -2.942 395 HD12 LEU 50 HD12 LEU 50 -8.310 3.305 -3.353 396 HD13 LEU 50 HD13 LEU 50 -6.809 3.191 -4.271 397 HD21 LEU 50 HD21 LEU 50 -8.341 2.477 -0.942 398 HD22 LEU 50 HD22 LEU 50 -6.984 3.553 -0.610 399 HD23 LEU 50 HD23 LEU 50 -6.853 1.833 -0.250 400 H ASN 51 HN ASN 51 -8.602 -0.026 -5.775 401 HA ASN 51 HA ASN 51 -9.283 -2.800 -5.250 402 HB2 ASN 51 HB2 ASN 51 -9.666 -3.048 -7.580 403 HB3 ASN 51 HB1 ASN 51 -10.279 -1.451 -7.170 404 HD21 ASN 51 HD21 ASN 51 -9.249 0.364 -7.982 405 HD22 ASN 51 HD22 ASN 51 -8.049 0.271 -9.228 406 H LEU 52 HN LEU 52 -8.033 -4.454 -6.692 407 HA LEU 52 HA LEU 52 -5.595 -4.876 -5.510 408 HB2 LEU 52 HB2 LEU 52 -6.932 -5.951 -7.925 409 HB3 LEU 52 HB1 LEU 52 -5.217 -6.264 -7.778 410 HG LEU 52 HG LEU 52 -6.644 -8.104 -6.922 411 HD11 LEU 52 HD11 LEU 52 -4.922 -6.728 -4.869 412 HD12 LEU 52 HD12 LEU 52 -4.374 -7.850 -6.111 413 HD13 LEU 52 HD13 LEU 52 -5.430 -8.412 -4.818 414 HD21 LEU 52 HD21 LEU 52 -7.816 -7.830 -4.807 415 HD22 LEU 52 HD22 LEU 52 -8.475 -6.747 -6.033 416 HD23 LEU 52 HD23 LEU 52 -7.403 -6.116 -4.784 417 H SER 53 HN SER 53 -6.135 -3.376 -8.697 418 HA SER 53 HA SER 53 -3.461 -3.121 -9.446 419 HB2 SER 53 HB2 SER 53 -5.815 -1.337 -10.089 420 HB3 SER 53 HB1 SER 53 -4.251 -1.249 -10.898 421 HG SER 53 HG SER 53 -6.145 -3.350 -10.931 422 H GLN 54 HN GLN 54 -5.513 -0.896 -7.598 423 HA GLN 54 HA GLN 54 -3.556 1.124 -7.279 424 HB2 GLN 54 HB2 GLN 54 -5.969 0.470 -5.582 425 HB3 GLN 54 HB1 GLN 54 -5.039 1.957 -5.478 426 HG2 GLN 54 HG2 GLN 54 -5.661 2.534 -7.746 427 HG3 GLN 54 HG1 GLN 54 -6.522 1.006 -7.914 428 HE21 GLN 54 HE21 GLN 54 -6.589 4.203 -6.606 429 HE22 GLN 54 HE22 GLN 54 -8.233 4.173 -6.073 430 H LEU 55 HN LEU 55 -4.334 -1.790 -5.534 431 HA LEU 55 HA LEU 55 -2.961 -1.270 -3.144 432 HB2 LEU 55 HB2 LEU 55 -3.458 -3.924 -4.490 433 HB3 LEU 55 HB1 LEU 55 -3.007 -3.706 -2.818 434 HG LEU 55 HG LEU 55 -5.597 -2.830 -4.089 435 HD11 LEU 55 HD11 LEU 55 -5.338 -5.257 -3.686 436 HD12 LEU 55 HD12 LEU 55 -6.607 -4.523 -2.709 437 HD13 LEU 55 HD13 LEU 55 -5.050 -4.915 -1.981 438 HD21 LEU 55 HD21 LEU 55 -4.905 -1.240 -2.376 439 HD22 LEU 55 HD22 LEU 55 -4.663 -2.561 -1.232 440 HD23 LEU 55 HD23 LEU 55 -6.283 -2.195 -1.831 441 H HIS 56 HN HIS 56 -1.864 -3.161 -5.996 442 HA HIS 56 HA HIS 56 0.762 -3.385 -4.874 443 HB2 HIS 56 HB2 HIS 56 1.425 -4.465 -6.959 444 HB3 HIS 56 HB1 HIS 56 -0.046 -5.164 -6.308 445 HD1 HIS 56 HD1 HIS 56 1.204 -3.039 -9.153 446 HD2 HIS 56 HD2 HIS 56 -2.230 -5.062 -7.968 447 HE1 HIS 56 HE1 HIS 56 -0.302 -3.051 -11.168 448 HE2 HIS 56 HE2 HIS 56 -2.269 -4.477 -10.491 449 H ALA 57 HN ALA 57 -0.805 -1.118 -6.953 450 HA ALA 57 HA ALA 57 1.433 0.171 -8.050 451 HB1 ALA 57 HB1 ALA 57 -0.862 0.689 -8.731 452 HB2 ALA 57 HB2 ALA 57 0.008 2.145 -8.249 453 HB3 ALA 57 HB3 ALA 57 -1.167 1.418 -7.155 454 H ALA 58 HN ALA 58 -0.020 0.303 -4.873 455 HA ALA 58 HA ALA 58 1.412 2.459 -3.790 456 HB1 ALA 58 HB1 ALA 58 -0.509 1.469 -2.671 457 HB2 ALA 58 HB2 ALA 58 0.903 1.431 -1.614 458 HB3 ALA 58 HB3 ALA 58 0.381 -0.035 -2.442 459 H ALA 59 HN ALA 59 2.116 -1.004 -3.913 460 HA ALA 59 HA ALA 59 4.557 -0.929 -2.518 461 HB1 ALA 59 HB1 ALA 59 3.620 -2.875 -4.622 462 HB2 ALA 59 HB2 ALA 59 3.326 -2.995 -2.887 463 HB3 ALA 59 HB3 ALA 59 4.969 -3.128 -3.514 464 H ALA 60 HN ALA 60 3.729 -0.456 -5.888 465 HA ALA 60 HA ALA 60 6.317 -0.513 -6.968 466 HB1 ALA 60 HB1 ALA 60 4.274 -0.607 -8.324 467 HB2 ALA 60 HB2 ALA 60 5.368 0.660 -8.871 468 HB3 ALA 60 HB3 ALA 60 3.940 1.077 -7.925 469 H ARG 61 HN ARG 61 4.399 2.149 -5.639 470 HA ARG 61 HA ARG 61 6.101 4.287 -6.131 471 HB2 ARG 61 HB2 ARG 61 4.389 3.751 -3.696 472 HB3 ARG 61 HB1 ARG 61 5.141 5.297 -4.058 473 HG2 ARG 61 HG2 ARG 61 3.811 5.520 -6.060 474 HG3 ARG 61 HG1 ARG 61 3.115 3.918 -5.800 475 HD2 ARG 61 HD2 ARG 61 2.073 4.643 -3.763 476 HD3 ARG 61 HD1 ARG 61 2.883 6.200 -3.853 477 HE ARG 61 HE ARG 61 1.102 5.513 -6.054 478 HH11 ARG 61 HH11 ARG 61 1.634 7.273 -3.081 479 HH12 ARG 61 HH12 ARG 61 0.282 8.349 -3.320 480 HH21 ARG 61 HH21 ARG 61 -0.677 6.929 -6.378 481 HH22 ARG 61 HH22 ARG 61 -1.034 8.141 -5.182 482 H ILE 62 HN ILE 62 6.182 1.876 -3.581 483 HA ILE 62 HA ILE 62 8.318 3.151 -2.140 484 HB ILE 62 HB ILE 62 7.152 0.380 -1.858 485 HG12 ILE 62 HG12 ILE 62 6.578 2.908 -0.304 486 HG13 ILE 62 HG11 ILE 62 5.513 2.190 -1.508 487 HG21 ILE 62 HG21 ILE 62 9.354 0.470 -0.880 488 HG22 ILE 62 HG22 ILE 62 8.143 0.433 0.404 489 HG23 ILE 62 HG23 ILE 62 8.945 1.951 -0.012 490 HD11 ILE 62 HD11 ILE 62 5.184 0.261 -0.137 491 HD12 ILE 62 HD12 ILE 62 4.876 1.710 0.821 492 HD13 ILE 62 HD13 ILE 62 6.390 0.833 1.014 493 H GLY 63 HN GLY 63 7.950 0.456 -4.368 494 HA2 GLY 63 HA2 GLY 63 10.543 -0.589 -4.216 495 HA3 GLY 63 HA1 GLY 63 9.483 -0.695 -5.613 496 H ASP 64 HN ASP 64 9.220 1.992 -6.260 497 HA ASP 64 HA ASP 64 11.743 2.518 -7.529 498 HB2 ASP 64 HB2 ASP 64 9.126 4.029 -7.432 499 HB3 ASP 64 HB1 ASP 64 10.542 4.663 -8.259 500 H PHE 65 HN PHE 65 10.133 3.590 -4.641 501 HA PHE 65 HA PHE 65 11.522 5.968 -4.138 502 HB2 PHE 65 HB2 PHE 65 9.578 5.315 -2.810 503 HB3 PHE 65 HB1 PHE 65 10.451 3.924 -2.172 504 HD1 PHE 65 HD1 PHE 65 10.503 7.636 -2.288 505 HD2 PHE 65 HD2 PHE 65 11.707 4.115 -0.225 506 HE1 PHE 65 HE1 PHE 65 11.316 9.013 -0.420 507 HE2 PHE 65 HE2 PHE 65 12.522 5.487 1.647 508 HZ PHE 65 HZ PHE 65 12.338 7.932 1.550 509 H TYR 66 HN TYR 66 12.221 2.656 -3.079 510 HA TYR 66 HA TYR 66 14.685 3.155 -1.863 511 HB2 TYR 66 HB2 TYR 66 13.356 0.772 -3.053 512 HB3 TYR 66 HB1 TYR 66 15.080 0.668 -2.733 513 HD1 TYR 66 HD2 TYR 66 11.883 1.605 -1.030 514 HD2 TYR 66 HD1 TYR 66 15.801 -0.007 -0.664 515 HE1 TYR 66 HE2 TYR 66 11.428 1.043 1.319 516 HE2 TYR 66 HE1 TYR 66 15.363 -0.571 1.681 517 HH TYR 66 HH TYR 66 13.891 -0.576 3.332 518 H GLN 67 HN GLN 67 13.897 2.343 -5.215 519 HA GLN 67 HA GLN 67 16.504 2.151 -6.212 520 HB2 GLN 67 HB2 GLN 67 13.960 3.004 -7.602 521 HB3 GLN 67 HB1 GLN 67 15.460 2.608 -8.430 522 HG2 GLN 67 HG2 GLN 67 15.352 0.343 -7.553 523 HG3 GLN 67 HG1 GLN 67 13.870 0.734 -6.696 524 HE21 GLN 67 HE21 GLN 67 12.802 -0.916 -7.791 525 HE22 GLN 67 HE22 GLN 67 12.309 -0.751 -9.445 526 H GLU 68 HN GLU 68 14.386 4.933 -5.792 527 HA GLU 68 HA GLU 68 16.039 6.792 -7.155 528 HB2 GLU 68 HB2 GLU 68 13.600 7.079 -6.659 529 HB3 GLU 68 HB1 GLU 68 14.023 7.350 -4.976 530 HG2 GLU 68 HG2 GLU 68 15.254 9.334 -5.558 531 HG3 GLU 68 HG1 GLU 68 14.989 9.031 -7.274 532 H LYS 69 HN LYS 69 16.029 5.477 -3.952 533 HA LYS 69 HA LYS 69 17.884 7.474 -2.951 534 HB2 LYS 69 HB2 LYS 69 16.703 5.010 -1.663 535 HB3 LYS 69 HB1 LYS 69 17.790 6.128 -0.852 536 HG2 LYS 69 HG2 LYS 69 15.078 6.820 -1.968 537 HG3 LYS 69 HG1 LYS 69 15.455 6.541 -0.267 538 HD2 LYS 69 HD2 LYS 69 17.042 8.430 -0.347 539 HD3 LYS 69 HD1 LYS 69 16.568 8.732 -2.018 540 HE2 LYS 69 HE2 LYS 69 14.253 9.101 -1.264 541 HE3 LYS 69 HE1 LYS 69 14.775 8.861 0.403 542 HZ1 LYS 69 HZ1 LYS 69 16.240 10.775 0.175 543 HZ2 LYS 69 HZ2 LYS 69 14.637 11.207 -0.145 544 HZ3 LYS 69 HZ3 LYS 69 15.725 11.004 -1.418 545 H GLY 70 HN GLY 70 18.232 4.988 -4.976 546 HA2 GLY 70 HA2 GLY 70 20.464 4.518 -5.757 547 HA3 GLY 70 HA1 GLY 70 21.011 4.575 -4.089 548 H TYR 71 HN TYR 71 18.367 2.968 -3.585 549 HA TYR 71 HA TYR 71 19.726 0.415 -3.623 550 HB2 TYR 71 HB2 TYR 71 16.947 1.109 -2.651 551 HB3 TYR 71 HB1 TYR 71 17.804 -0.397 -2.344 552 HD1 TYR 71 HD1 TYR 71 19.846 -0.357 -0.921 553 HD2 TYR 71 HD2 TYR 71 17.296 3.018 -1.312 554 HE1 TYR 71 HE1 TYR 71 20.813 0.598 1.119 555 HE2 TYR 71 HE2 TYR 71 18.254 3.987 0.730 556 HH TYR 71 HH TYR 71 19.436 3.288 2.725 557 H VAL 72 HN VAL 72 19.780 0.438 -6.002 558 HA VAL 72 HA VAL 72 17.424 0.274 -7.568 559 HB VAL 72 HB VAL 72 20.190 -0.731 -8.262 560 HG11 VAL 72 HG11 VAL 72 17.888 0.114 -10.015 561 HG12 VAL 72 HG12 VAL 72 18.480 -1.532 -9.790 562 HG13 VAL 72 HG13 VAL 72 19.499 -0.329 -10.580 563 HG21 VAL 72 HG21 VAL 72 20.560 1.468 -9.265 564 HG22 VAL 72 HG22 VAL 72 20.263 1.598 -7.531 565 HG23 VAL 72 HG23 VAL 72 18.986 2.005 -8.678 566 H LEU 73 HN LEU 73 19.316 -2.060 -5.831 567 HA LEU 73 HA LEU 73 18.213 -4.362 -7.156 568 HB2 LEU 73 HB2 LEU 73 20.465 -4.325 -6.123 569 HB3 LEU 73 HB1 LEU 73 19.715 -4.167 -4.547 570 HG LEU 73 HG LEU 73 18.633 -6.379 -4.882 571 HD11 LEU 73 HD11 LEU 73 18.588 -6.444 -7.300 572 HD12 LEU 73 HD12 LEU 73 19.486 -7.827 -6.676 573 HD13 LEU 73 HD13 LEU 73 20.351 -6.450 -7.357 574 HD21 LEU 73 HD21 LEU 73 21.635 -6.322 -5.113 575 HD22 LEU 73 HD22 LEU 73 20.676 -7.691 -4.557 576 HD23 LEU 73 HD23 LEU 73 20.699 -6.194 -3.625 577 H ALA 74 HN ALA 74 16.990 -2.207 -4.927 578 HA ALA 74 HA ALA 74 15.478 -4.194 -3.419 579 HB1 ALA 74 HB1 ALA 74 15.623 -1.200 -3.125 580 HB2 ALA 74 HB2 ALA 74 16.496 -2.389 -2.159 581 HB3 ALA 74 HB3 ALA 74 14.737 -2.291 -2.059 582 H ARG 75 HN ARG 75 13.311 -4.459 -3.533 583 HA ARG 75 HA ARG 75 11.674 -2.633 -5.084 584 HB2 ARG 75 HB2 ARG 75 12.589 -4.295 -6.735 585 HB3 ARG 75 HB1 ARG 75 11.795 -5.566 -5.820 586 HG2 ARG 75 HG2 ARG 75 10.445 -5.015 -7.716 587 HG3 ARG 75 HG1 ARG 75 9.621 -4.465 -6.257 588 HD2 ARG 75 HD2 ARG 75 10.455 -2.189 -6.661 589 HD3 ARG 75 HD1 ARG 75 11.243 -2.747 -8.135 590 HE ARG 75 HE ARG 75 8.593 -3.453 -8.390 591 HH11 ARG 75 HH11 ARG 75 10.391 -0.473 -8.011 592 HH12 ARG 75 HH12 ARG 75 9.207 0.503 -8.831 593 HH21 ARG 75 HH21 ARG 75 7.056 -2.184 -9.503 594 HH22 ARG 75 HH22 ARG 75 7.328 -0.481 -9.699 595 H ALA 76 HN ALA 76 9.708 -2.470 -4.180 596 HA ALA 76 HA ALA 76 9.030 -4.337 -2.033 597 HB1 ALA 76 HB1 ALA 76 9.054 -1.963 -1.458 598 HB2 ALA 76 HB2 ALA 76 7.427 -2.630 -1.320 599 HB3 ALA 76 HB3 ALA 76 7.859 -1.640 -2.715 600 H PHE 77 HN PHE 77 7.225 -5.589 -2.080 601 HA PHE 77 HA PHE 77 5.367 -5.234 -4.314 602 HB2 PHE 77 HB2 PHE 77 5.344 -7.618 -4.802 603 HB3 PHE 77 HB1 PHE 77 6.981 -6.996 -4.966 604 HD1 PHE 77 HD1 PHE 77 8.690 -7.549 -3.294 605 HD2 PHE 77 HD2 PHE 77 4.793 -9.254 -3.149 606 HE1 PHE 77 HE1 PHE 77 9.513 -9.283 -1.762 607 HE2 PHE 77 HE2 PHE 77 5.609 -10.995 -1.614 608 HZ PHE 77 HZ PHE 77 7.948 -11.031 -0.928 609 H LEU 78 HN LEU 78 3.254 -5.766 -3.859 610 HA LEU 78 HA LEU 78 2.700 -6.171 -1.019 611 HB2 LEU 78 HB2 LEU 78 1.671 -4.271 -2.375 612 HB3 LEU 78 HB1 LEU 78 0.719 -5.493 -3.191 613 HG LEU 78 HG LEU 78 0.622 -5.186 -0.197 614 HD11 LEU 78 HD11 LEU 78 -1.073 -3.754 -2.242 615 HD12 LEU 78 HD12 LEU 78 0.087 -3.009 -1.141 616 HD13 LEU 78 HD13 LEU 78 -1.363 -3.781 -0.502 617 HD21 LEU 78 HD21 LEU 78 -1.344 -6.268 -2.214 618 HD22 LEU 78 HD22 LEU 78 -1.571 -6.214 -0.465 619 HD23 LEU 78 HD23 LEU 78 -0.311 -7.234 -1.160 620 HA PRO 79 HA PRO 79 1.842 -10.434 -2.124 621 HB2 PRO 79 HB2 PRO 79 1.348 -11.283 0.405 622 HB3 PRO 79 HB1 PRO 79 2.982 -11.038 -0.221 623 HG2 PRO 79 HG2 PRO 79 1.325 -9.239 1.502 624 HG3 PRO 79 HG1 PRO 79 3.047 -9.639 1.632 625 HD2 PRO 79 HD2 PRO 79 2.156 -7.331 0.526 626 HD3 PRO 79 HD1 PRO 79 3.648 -8.134 -0.005 627 H ALA 80 HN ALA 80 -0.102 -10.041 -3.232 628 HA ALA 80 HA ALA 80 -2.517 -9.526 -1.701 629 HB1 ALA 80 HB1 ALA 80 -3.606 -9.304 -3.868 630 HB2 ALA 80 HB2 ALA 80 -2.131 -9.839 -4.674 631 HB3 ALA 80 HB3 ALA 80 -2.149 -8.312 -3.792 632 H GLN 81 HN GLN 81 -1.952 -11.739 -0.684 633 HA GLN 81 HA GLN 81 -2.995 -13.967 -2.275 634 HB2 GLN 81 HB2 GLN 81 -1.856 -14.083 0.520 635 HB3 GLN 81 HB1 GLN 81 -2.077 -15.415 -0.604 636 HG2 GLN 81 HG2 GLN 81 -0.365 -14.461 -2.067 637 HG3 GLN 81 HG1 GLN 81 -0.137 -13.137 -0.926 638 HE21 GLN 81 HE21 GLN 81 0.803 -13.574 1.093 639 HE22 GLN 81 HE22 GLN 81 1.748 -14.997 1.360 640 H GLU 82 HN GLU 82 -3.659 -11.988 0.501 641 HA GLU 82 HA GLU 82 -6.387 -12.980 0.649 642 HB2 GLU 82 HB2 GLU 82 -5.150 -14.444 2.179 643 HB3 GLU 82 HB1 GLU 82 -4.474 -13.044 2.995 644 HG2 GLU 82 HG2 GLU 82 -6.737 -12.393 3.701 645 HG3 GLU 82 HG1 GLU 82 -7.371 -13.851 2.936 646 H ILE 83 HN ILE 83 -4.092 -11.037 2.549 647 HA ILE 83 HA ILE 83 -4.036 -8.872 3.181 648 HB ILE 83 HB ILE 83 -6.086 -8.391 1.038 649 HG12 ILE 83 HG12 ILE 83 -3.070 -8.160 1.010 650 HG13 ILE 83 HG11 ILE 83 -4.031 -9.342 0.127 651 HG21 ILE 83 HG21 ILE 83 -5.334 -6.050 1.168 652 HG22 ILE 83 HG22 ILE 83 -4.297 -6.473 2.532 653 HG23 ILE 83 HG23 ILE 83 -6.050 -6.599 2.684 654 HD11 ILE 83 HD11 ILE 83 -4.065 -6.369 -0.297 655 HD12 ILE 83 HD12 ILE 83 -5.023 -7.552 -1.188 656 HD13 ILE 83 HD13 ILE 83 -3.264 -7.559 -1.324 657 H GLN 84 HN GLN 84 -4.779 -8.820 5.205 658 HA GLN 84 HA GLN 84 -7.451 -8.974 6.039 659 HB2 GLN 84 HB2 GLN 84 -6.677 -7.780 8.081 660 HB3 GLN 84 HB1 GLN 84 -5.659 -9.147 7.660 661 HG2 GLN 84 HG2 GLN 84 -4.975 -6.330 6.879 662 HG3 GLN 84 HG1 GLN 84 -4.496 -7.031 8.421 663 HE21 GLN 84 HE21 GLN 84 -2.943 -6.089 6.074 664 HE22 GLN 84 HE22 GLN 84 -1.914 -7.420 5.659 665 H ASP 85 HN ASP 85 -9.038 -7.417 6.318 666 HA ASP 85 HA ASP 85 -8.836 -5.166 4.537 667 HB2 ASP 85 HB2 ASP 85 -11.158 -4.799 4.930 668 HB3 ASP 85 HB1 ASP 85 -10.935 -6.541 4.841 669 H GLY 86 HN GLY 86 -8.766 -3.017 5.053 670 HA2 GLY 86 HA2 GLY 86 -8.843 -1.191 6.587 671 HA3 GLY 86 HA1 GLY 86 -8.522 -2.320 7.897 672 H THR 87 HN THR 87 -6.337 -3.692 6.886 673 HA THR 87 HA THR 87 -4.324 -1.569 6.557 674 HB THR 87 HB THR 87 -3.976 -4.085 8.179 675 HG1 THR 87 HG1 THR 87 -4.411 -2.914 9.961 676 HG21 THR 87 HG21 THR 87 -1.906 -3.246 7.272 677 HG22 THR 87 HG22 THR 87 -1.953 -2.927 9.005 678 HG23 THR 87 HG23 THR 87 -2.265 -1.625 7.859 679 H VAL 88 HN VAL 88 -3.219 -1.859 4.711 680 HA VAL 88 HA VAL 88 -2.977 -4.592 3.659 681 HB VAL 88 HB VAL 88 -2.363 -3.586 1.519 682 HG11 VAL 88 HG11 VAL 88 -4.858 -2.436 2.751 683 HG12 VAL 88 HG12 VAL 88 -4.702 -3.994 1.938 684 HG13 VAL 88 HG13 VAL 88 -4.525 -2.496 1.019 685 HG21 VAL 88 HG21 VAL 88 -1.242 -1.578 2.386 686 HG22 VAL 88 HG22 VAL 88 -2.809 -0.925 2.870 687 HG23 VAL 88 HG23 VAL 88 -2.450 -1.183 1.162 688 H ARG 89 HN ARG 89 -1.023 -5.588 3.566 689 HA ARG 89 HA ARG 89 1.233 -3.997 4.569 690 HB2 ARG 89 HB2 ARG 89 0.340 -5.969 5.958 691 HB3 ARG 89 HB1 ARG 89 1.094 -6.993 4.742 692 HG2 ARG 89 HG2 ARG 89 3.258 -6.018 5.212 693 HG3 ARG 89 HG1 ARG 89 2.530 -4.900 6.361 694 HD2 ARG 89 HD2 ARG 89 1.762 -6.871 7.673 695 HD3 ARG 89 HD1 ARG 89 2.701 -7.890 6.583 696 HE ARG 89 HE ARG 89 4.206 -5.758 7.813 697 HH11 ARG 89 HH11 ARG 89 3.129 -9.076 8.103 698 HH12 ARG 89 HH12 ARG 89 4.384 -9.516 9.217 699 HH21 ARG 89 HH21 ARG 89 5.856 -6.336 9.290 700 HH22 ARG 89 HH22 ARG 89 5.928 -7.963 9.891 701 H ILE 90 HN ILE 90 2.987 -3.803 3.432 702 HA ILE 90 HA ILE 90 3.203 -5.275 0.890 703 HB ILE 90 HB ILE 90 4.349 -2.582 1.653 704 HG12 ILE 90 HG12 ILE 90 2.064 -3.260 -0.210 705 HG13 ILE 90 HG11 ILE 90 1.889 -2.576 1.402 706 HG21 ILE 90 HG21 ILE 90 5.747 -3.763 0.044 707 HG22 ILE 90 HG22 ILE 90 4.950 -2.379 -0.706 708 HG23 ILE 90 HG23 ILE 90 4.348 -4.010 -1.001 709 HD11 ILE 90 HD11 ILE 90 1.644 -0.869 -0.296 710 HD12 ILE 90 HD12 ILE 90 3.235 -1.262 -0.945 711 HD13 ILE 90 HD13 ILE 90 3.090 -0.575 0.672 712 H GLU 91 HN GLU 91 5.033 -6.449 0.505 713 HA GLU 91 HA GLU 91 6.963 -6.588 2.691 714 HB2 GLU 91 HB2 GLU 91 6.479 -8.406 0.330 715 HB3 GLU 91 HB1 GLU 91 7.791 -8.627 1.479 716 HG2 GLU 91 HG2 GLU 91 6.045 -8.741 3.285 717 HG3 GLU 91 HG1 GLU 91 4.839 -8.795 2.003 718 H VAL 92 HN VAL 92 8.865 -5.700 2.575 719 HA VAL 92 HA VAL 92 9.658 -4.448 0.051 720 HB VAL 92 HB VAL 92 10.697 -3.954 2.849 721 HG11 VAL 92 HG11 VAL 92 11.142 -2.424 0.288 722 HG12 VAL 92 HG12 VAL 92 12.336 -3.411 1.133 723 HG13 VAL 92 HG13 VAL 92 11.710 -1.945 1.888 724 HG21 VAL 92 HG21 VAL 92 9.414 -1.843 2.710 725 HG22 VAL 92 HG22 VAL 92 8.383 -3.275 2.692 726 HG23 VAL 92 HG23 VAL 92 8.708 -2.403 1.194 727 H LEU 93 HN LEU 93 10.967 -5.683 -1.135 728 HA LEU 93 HA LEU 93 12.956 -7.366 0.185 729 HB2 LEU 93 HB2 LEU 93 11.603 -8.325 -1.647 730 HB3 LEU 93 HB1 LEU 93 12.241 -7.113 -2.741 731 HG LEU 93 HG LEU 93 14.511 -8.052 -2.418 732 HD11 LEU 93 HD11 LEU 93 14.743 -10.253 -1.356 733 HD12 LEU 93 HD12 LEU 93 13.057 -10.171 -0.841 734 HD13 LEU 93 HD13 LEU 93 14.230 -9.014 -0.210 735 HD21 LEU 93 HD21 LEU 93 12.419 -10.021 -3.335 736 HD22 LEU 93 HD22 LEU 93 14.138 -10.090 -3.723 737 HD23 LEU 93 HD23 LEU 93 13.156 -8.749 -4.311 738 H GLU 94 HN GLU 94 14.507 -5.996 0.898 739 HA GLU 94 HA GLU 94 15.437 -3.785 -0.677 740 HB2 GLU 94 HB2 GLU 94 16.592 -4.924 1.869 741 HB3 GLU 94 HB1 GLU 94 16.907 -3.330 1.196 742 HG2 GLU 94 HG2 GLU 94 14.549 -2.740 1.523 743 HG3 GLU 94 HG1 GLU 94 14.260 -4.329 2.227 744 H GLY 95 HN GLY 95 16.117 -7.065 -0.619 745 HA2 GLY 95 HA2 GLY 95 17.680 -7.423 -2.673 746 HA3 GLY 95 HA1 GLY 95 18.863 -6.731 -1.572 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -12.023 17.071 14.086 2 H2 MET 1 HT2 MET 1 -13.318 17.089 13.001 3 H3 MET 1 HT3 MET 1 -11.732 17.171 12.427 4 HA MET 1 HA MET 1 -12.679 14.981 12.102 5 HB2 MET 1 HB2 MET 1 -10.840 13.706 13.021 6 HB3 MET 1 HB1 MET 1 -10.243 15.264 12.470 7 HG2 MET 1 HG2 MET 1 -10.199 16.083 14.753 8 HG3 MET 1 HG1 MET 1 -10.872 14.560 15.330 9 HE1 MET 1 HE1 MET 1 -8.240 15.873 16.522 10 HE2 MET 1 HE2 MET 1 -7.179 14.471 16.656 11 HE3 MET 1 HE3 MET 1 -8.882 14.333 17.092 12 H ALA 2 HN ALA 2 -13.812 16.422 14.779 13 HA ALA 2 HA ALA 2 -14.321 13.991 16.311 14 HB1 ALA 2 HB1 ALA 2 -15.283 15.482 17.982 15 HB2 ALA 2 HB2 ALA 2 -15.079 16.851 16.890 16 HB3 ALA 2 HB3 ALA 2 -13.664 16.009 17.521 17 H HIS 3 HN HIS 3 -15.815 16.024 14.007 18 HA HIS 3 HA HIS 3 -18.525 15.258 14.633 19 HB2 HIS 3 HB2 HIS 3 -17.959 17.461 13.631 20 HB3 HIS 3 HB1 HIS 3 -17.399 16.638 12.184 21 HD1 HIS 3 HD1 HIS 3 -19.083 17.522 10.552 22 HD2 HIS 3 HD2 HIS 3 -20.850 15.864 13.927 23 HE1 HIS 3 HE1 HIS 3 -21.550 17.488 10.072 24 HE2 HIS 3 HE2 HIS 3 -22.606 16.692 12.215 25 H HIS 4 HN HIS 4 -18.230 12.995 14.614 26 HA HIS 4 HA HIS 4 -18.454 10.917 13.756 27 HB2 HIS 4 HB2 HIS 4 -18.904 12.381 11.153 28 HB3 HIS 4 HB1 HIS 4 -19.017 10.634 11.319 29 HD1 HIS 4 HD1 HIS 4 -21.009 13.624 11.482 30 HD2 HIS 4 HD2 HIS 4 -21.122 9.878 13.277 31 HE1 HIS 4 HE1 HIS 4 -23.343 13.378 12.387 32 HE2 HIS 4 HE2 HIS 4 -23.396 11.099 13.458 33 H HIS 5 HN HIS 5 -17.413 9.361 12.178 34 HA HIS 5 HA HIS 5 -14.732 10.239 11.390 35 HB2 HIS 5 HB2 HIS 5 -15.377 7.844 13.117 36 HB3 HIS 5 HB1 HIS 5 -13.831 8.063 12.306 37 HD1 HIS 5 HD1 HIS 5 -15.680 8.972 15.335 38 HD2 HIS 5 HD2 HIS 5 -12.346 10.357 13.274 39 HE1 HIS 5 HE1 HIS 5 -14.455 10.452 16.951 40 HE2 HIS 5 HE2 HIS 5 -12.536 11.406 15.629 41 H HIS 6 HN HIS 6 -16.309 10.176 9.461 42 HA HIS 6 HA HIS 6 -16.659 7.441 8.464 43 HB2 HIS 6 HB2 HIS 6 -18.416 8.308 7.023 44 HB3 HIS 6 HB1 HIS 6 -18.729 8.758 8.693 45 HD1 HIS 6 HD1 HIS 6 -17.965 10.182 5.339 46 HD2 HIS 6 HD2 HIS 6 -18.587 11.530 9.218 47 HE1 HIS 6 HE1 HIS 6 -18.307 12.660 5.141 48 HE2 HIS 6 HE2 HIS 6 -18.867 13.421 7.472 49 H HIS 7 HN HIS 7 -14.127 8.915 8.274 50 HA HIS 7 HA HIS 7 -13.817 9.655 5.517 51 HB2 HIS 7 HB2 HIS 7 -11.865 9.155 7.753 52 HB3 HIS 7 HB1 HIS 7 -11.310 9.397 6.101 53 HD1 HIS 7 HD1 HIS 7 -10.855 11.320 8.651 54 HD2 HIS 7 HD2 HIS 7 -13.485 11.904 5.490 55 HE1 HIS 7 HE1 HIS 7 -11.229 13.800 8.534 56 HE2 HIS 7 HE2 HIS 7 -12.670 14.139 6.499 57 H HIS 8 HN HIS 8 -15.006 7.564 4.978 58 HA HIS 8 HA HIS 8 -13.024 5.571 4.168 59 HB2 HIS 8 HB2 HIS 8 -15.612 4.887 5.593 60 HB3 HIS 8 HB1 HIS 8 -14.553 3.717 4.818 61 HD1 HIS 8 HD1 HIS 8 -15.323 4.915 8.039 62 HD2 HIS 8 HD2 HIS 8 -11.770 4.002 6.079 63 HE1 HIS 8 HE1 HIS 8 -13.615 4.588 9.853 64 HE2 HIS 8 HE2 HIS 8 -11.440 4.209 8.637 65 H VAL 9 HN VAL 9 -13.291 6.460 2.100 66 HA VAL 9 HA VAL 9 -15.865 6.924 0.965 67 HB VAL 9 HB VAL 9 -13.210 6.733 -0.453 68 HG11 VAL 9 HG11 VAL 9 -14.301 8.156 -2.144 69 HG12 VAL 9 HG12 VAL 9 -15.818 8.008 -1.259 70 HG13 VAL 9 HG13 VAL 9 -15.077 6.581 -1.983 71 HG21 VAL 9 HG21 VAL 9 -14.595 9.154 0.692 72 HG22 VAL 9 HG22 VAL 9 -13.109 9.166 -0.256 73 HG23 VAL 9 HG23 VAL 9 -13.135 8.401 1.331 74 H ASP 10 HN ASP 10 -17.104 5.147 0.806 75 HA ASP 10 HA ASP 10 -16.079 2.792 -0.596 76 HB2 ASP 10 HB2 ASP 10 -18.128 1.688 0.073 77 HB3 ASP 10 HB1 ASP 10 -17.448 2.501 1.478 78 H ASP 11 HN ASP 11 -16.875 5.594 -1.647 79 HA ASP 11 HA ASP 11 -19.003 4.945 -3.509 80 HB2 ASP 11 HB2 ASP 11 -17.406 7.481 -3.112 81 HB3 ASP 11 HB1 ASP 11 -18.706 7.302 -4.285 82 H ASP 12 HN ASP 12 -15.830 4.255 -3.449 83 HA ASP 12 HA ASP 12 -15.296 4.815 -6.251 84 HB2 ASP 12 HB2 ASP 12 -13.660 3.694 -3.996 85 HB3 ASP 12 HB1 ASP 12 -13.148 3.437 -5.661 86 H ASP 13 HN ASP 13 -16.160 3.553 -7.717 87 HA ASP 13 HA ASP 13 -17.328 1.034 -7.005 88 HB2 ASP 13 HB2 ASP 13 -18.316 1.045 -9.177 89 HB3 ASP 13 HB1 ASP 13 -18.356 2.705 -8.594 90 H LYS 14 HN LYS 14 -17.126 -0.832 -8.561 91 HA LYS 14 HA LYS 14 -14.482 -1.178 -9.691 92 HB2 LYS 14 HB2 LYS 14 -14.246 -3.405 -8.543 93 HB3 LYS 14 HB1 LYS 14 -14.065 -1.998 -7.507 94 HG2 LYS 14 HG2 LYS 14 -15.393 -3.349 -6.222 95 HG3 LYS 14 HG1 LYS 14 -16.577 -2.338 -7.046 96 HD2 LYS 14 HD2 LYS 14 -16.916 -4.127 -8.713 97 HD3 LYS 14 HD1 LYS 14 -15.780 -5.146 -7.821 98 HE2 LYS 14 HE2 LYS 14 -18.142 -5.658 -7.310 99 HE3 LYS 14 HE1 LYS 14 -17.224 -5.150 -5.896 100 HZ1 LYS 14 HZ1 LYS 14 -18.183 -2.951 -6.093 101 HZ2 LYS 14 HZ2 LYS 14 -19.410 -4.108 -5.980 102 HZ3 LYS 14 HZ3 LYS 14 -19.042 -3.411 -7.475 103 H MET 15 HN MET 15 -14.342 -3.003 -11.141 104 HA MET 15 HA MET 15 -16.900 -4.220 -11.875 105 HB2 MET 15 HB2 MET 15 -16.673 -2.298 -13.355 106 HB3 MET 15 HB1 MET 15 -15.056 -2.811 -13.814 107 HG2 MET 15 HG2 MET 15 -16.005 -4.846 -14.808 108 HG3 MET 15 HG1 MET 15 -17.618 -4.280 -14.386 109 HE1 MET 15 HE1 MET 15 -16.739 -5.153 -17.323 110 HE2 MET 15 HE2 MET 15 -17.503 -3.887 -18.284 111 HE3 MET 15 HE3 MET 15 -18.362 -4.596 -16.919 112 H GLY 16 HN GLY 16 -13.428 -4.103 -12.704 113 HA2 GLY 16 HA2 GLY 16 -13.300 -6.768 -13.645 114 HA3 GLY 16 HA1 GLY 16 -11.931 -5.787 -13.142 115 H GLY 17 HN GLY 17 -12.611 -5.333 -10.485 116 HA2 GLY 17 HA2 GLY 17 -13.176 -7.863 -9.210 117 HA3 GLY 17 HA1 GLY 17 -11.498 -7.353 -9.082 118 HA PRO 18 HA PRO 18 -14.631 -5.301 -5.939 119 HB2 PRO 18 HB2 PRO 18 -13.736 -6.821 -3.780 120 HB3 PRO 18 HB1 PRO 18 -15.264 -7.039 -4.634 121 HG2 PRO 18 HG2 PRO 18 -12.685 -8.504 -4.954 122 HG3 PRO 18 HG1 PRO 18 -14.346 -9.120 -5.037 123 HD2 PRO 18 HD2 PRO 18 -12.906 -8.720 -7.254 124 HD3 PRO 18 HD1 PRO 18 -14.647 -8.363 -7.215 125 H THR 19 HN THR 19 -13.924 -3.599 -4.816 126 HA THR 19 HA THR 19 -11.065 -3.120 -4.636 127 HB THR 19 HB THR 19 -11.970 -0.861 -3.715 128 HG1 THR 19 HG1 THR 19 -14.130 -0.452 -4.290 129 HG21 THR 19 HG21 THR 19 -10.992 -0.973 -5.886 130 HG22 THR 19 HG22 THR 19 -12.522 -0.108 -6.049 131 HG23 THR 19 HG23 THR 19 -12.403 -1.796 -6.544 132 H VAL 20 HN VAL 20 -10.035 -2.467 -2.643 133 HA VAL 20 HA VAL 20 -11.389 -3.473 -0.231 134 HB VAL 20 HB VAL 20 -8.449 -3.340 -0.745 135 HG11 VAL 20 HG11 VAL 20 -8.222 -4.605 1.339 136 HG12 VAL 20 HG12 VAL 20 -9.967 -4.502 1.579 137 HG13 VAL 20 HG13 VAL 20 -8.986 -3.037 1.607 138 HG21 VAL 20 HG21 VAL 20 -10.271 -5.731 -0.642 139 HG22 VAL 20 HG22 VAL 20 -8.517 -5.780 -0.820 140 HG23 VAL 20 HG23 VAL 20 -9.513 -5.070 -2.090 141 H LEU 21 HN LEU 21 -11.853 -2.009 1.278 142 HA LEU 21 HA LEU 21 -11.045 0.705 1.054 143 HB2 LEU 21 HB2 LEU 21 -13.169 0.108 2.084 144 HB3 LEU 21 HB1 LEU 21 -12.337 -0.787 3.341 145 HG LEU 21 HG LEU 21 -11.283 1.379 4.066 146 HD11 LEU 21 HD11 LEU 21 -11.593 2.628 1.991 147 HD12 LEU 21 HD12 LEU 21 -12.334 3.459 3.358 148 HD13 LEU 21 HD13 LEU 21 -13.341 2.571 2.214 149 HD21 LEU 21 HD21 LEU 21 -13.177 0.380 5.231 150 HD22 LEU 21 HD22 LEU 21 -14.289 1.227 4.155 151 HD23 LEU 21 HD23 LEU 21 -13.260 2.142 5.256 152 H VAL 22 HN VAL 22 -8.939 1.099 1.224 153 HA VAL 22 HA VAL 22 -7.283 -0.203 3.186 154 HB VAL 22 HB VAL 22 -6.643 2.115 1.355 155 HG11 VAL 22 HG11 VAL 22 -5.165 1.886 3.344 156 HG12 VAL 22 HG12 VAL 22 -4.327 1.635 1.813 157 HG13 VAL 22 HG13 VAL 22 -4.769 0.251 2.813 158 HG21 VAL 22 HG21 VAL 22 -6.129 -0.834 1.017 159 HG22 VAL 22 HG22 VAL 22 -5.532 0.439 -0.045 160 HG23 VAL 22 HG23 VAL 22 -7.264 0.144 0.089 161 H LYS 23 HN LYS 23 -6.918 0.478 5.176 162 HA LYS 23 HA LYS 23 -7.784 3.191 5.913 163 HB2 LYS 23 HB2 LYS 23 -7.431 0.744 7.662 164 HB3 LYS 23 HB1 LYS 23 -8.015 2.315 8.197 165 HG2 LYS 23 HG2 LYS 23 -10.001 2.097 6.869 166 HG3 LYS 23 HG1 LYS 23 -9.392 0.617 6.128 167 HD2 LYS 23 HD2 LYS 23 -9.390 -0.436 8.384 168 HD3 LYS 23 HD1 LYS 23 -10.150 1.024 9.018 169 HE2 LYS 23 HE2 LYS 23 -12.076 0.694 7.609 170 HE3 LYS 23 HE1 LYS 23 -11.300 -0.670 6.805 171 HZ1 LYS 23 HZ1 LYS 23 -12.897 -1.414 8.446 172 HZ2 LYS 23 HZ2 LYS 23 -12.090 -0.569 9.667 173 HZ3 LYS 23 HZ3 LYS 23 -11.335 -1.873 8.901 174 H ARG 24 HN ARG 24 -5.168 0.844 6.111 175 HA ARG 24 HA ARG 24 -3.271 2.980 6.553 176 HB2 ARG 24 HB2 ARG 24 -2.272 2.026 8.558 177 HB3 ARG 24 HB1 ARG 24 -3.961 2.415 8.856 178 HG2 ARG 24 HG2 ARG 24 -4.585 0.109 8.698 179 HG3 ARG 24 HG1 ARG 24 -2.962 -0.341 8.175 180 HD2 ARG 24 HD2 ARG 24 -3.253 -0.886 10.514 181 HD3 ARG 24 HD1 ARG 24 -2.078 0.415 10.341 182 HE ARG 24 HE ARG 24 -4.873 1.059 10.967 183 HH11 ARG 24 HH11 ARG 24 -1.504 0.956 11.935 184 HH12 ARG 24 HH12 ARG 24 -1.727 2.023 13.284 185 HH21 ARG 24 HH21 ARG 24 -5.168 2.445 12.754 186 HH22 ARG 24 HH22 ARG 24 -3.817 2.859 13.760 187 H PHE 25 HN PHE 25 -1.041 2.235 6.400 188 HA PHE 25 HA PHE 25 -0.791 -0.245 4.821 189 HB2 PHE 25 HB2 PHE 25 0.759 2.350 4.644 190 HB3 PHE 25 HB1 PHE 25 1.257 0.868 3.835 191 HD1 PHE 25 HD1 PHE 25 -1.584 3.246 4.099 192 HD2 PHE 25 HD2 PHE 25 0.463 0.380 1.717 193 HE1 PHE 25 HE1 PHE 25 -3.027 3.801 2.197 194 HE2 PHE 25 HE2 PHE 25 -0.978 0.933 -0.195 195 HZ PHE 25 HZ PHE 25 -2.732 2.646 0.046 196 H GLN 26 HN GLN 26 0.796 -1.666 5.341 197 HA GLN 26 HA GLN 26 2.552 -0.999 7.610 198 HB2 GLN 26 HB2 GLN 26 0.665 -2.411 8.356 199 HB3 GLN 26 HB1 GLN 26 1.076 -3.604 7.137 200 HG2 GLN 26 HG2 GLN 26 1.806 -4.215 9.413 201 HG3 GLN 26 HG1 GLN 26 3.131 -4.126 8.254 202 HE21 GLN 26 HE21 GLN 26 4.763 -2.730 8.593 203 HE22 GLN 26 HE22 GLN 26 4.869 -1.658 9.948 204 H LEU 27 HN LEU 27 4.650 -1.380 7.191 205 HA LEU 27 HA LEU 27 5.292 -2.830 4.723 206 HB2 LEU 27 HB2 LEU 27 6.843 -0.820 6.353 207 HB3 LEU 27 HB1 LEU 27 7.559 -1.738 5.047 208 HG LEU 27 HG LEU 27 7.033 0.435 4.223 209 HD11 LEU 27 HD11 LEU 27 6.663 -1.348 2.652 210 HD12 LEU 27 HD12 LEU 27 5.466 -0.076 2.409 211 HD13 LEU 27 HD13 LEU 27 5.014 -1.562 3.241 212 HD21 LEU 27 HD21 LEU 27 4.217 -0.017 5.195 213 HD22 LEU 27 HD22 LEU 27 4.762 1.353 4.228 214 HD23 LEU 27 HD23 LEU 27 5.385 1.123 5.861 215 H SER 28 HN SER 28 6.505 -4.610 4.729 216 HA SER 28 HA SER 28 7.716 -5.467 7.263 217 HB2 SER 28 HB2 SER 28 5.967 -7.117 5.420 218 HB3 SER 28 HB1 SER 28 6.932 -7.791 6.740 219 HG SER 28 HG SER 28 5.692 -5.925 7.919 220 H GLY 29 HN GLY 29 9.743 -6.219 7.085 221 HA2 GLY 29 HA2 GLY 29 11.519 -7.352 5.969 222 HA3 GLY 29 HA1 GLY 29 10.728 -7.023 4.435 223 H ASN 30 HN ASN 30 10.329 -4.218 5.782 224 HA ASN 30 HA ASN 30 12.580 -3.009 4.469 225 HB2 ASN 30 HB2 ASN 30 11.560 -0.864 5.213 226 HB3 ASN 30 HB1 ASN 30 10.444 -1.886 4.318 227 HD21 ASN 30 HD21 ASN 30 10.098 0.285 6.363 228 HD22 ASN 30 HD22 ASN 30 9.031 -0.406 7.540 229 H ARG 31 HN ARG 31 14.409 -2.286 5.336 230 HA ARG 31 HA ARG 31 14.580 -2.161 8.282 231 HB2 ARG 31 HB2 ARG 31 16.734 -3.113 6.385 232 HB3 ARG 31 HB1 ARG 31 16.881 -2.992 8.132 233 HG2 ARG 31 HG2 ARG 31 14.973 -4.807 6.671 234 HG3 ARG 31 HG1 ARG 31 16.518 -5.293 7.368 235 HD2 ARG 31 HD2 ARG 31 14.184 -4.145 8.894 236 HD3 ARG 31 HD1 ARG 31 14.629 -5.850 8.828 237 HE ARG 31 HE ARG 31 16.859 -4.416 9.695 238 HH11 ARG 31 HH11 ARG 31 13.646 -5.221 10.811 239 HH12 ARG 31 HH12 ARG 31 14.076 -5.159 12.489 240 HH21 ARG 31 HH21 ARG 31 17.428 -4.324 11.901 241 HH22 ARG 31 HH22 ARG 31 16.225 -4.636 13.111 242 H GLN 32 HN GLN 32 15.708 -0.967 5.167 243 HA GLN 32 HA GLN 32 17.478 0.991 6.215 244 HB2 GLN 32 HB2 GLN 32 17.438 0.051 3.845 245 HB3 GLN 32 HB1 GLN 32 16.083 1.131 3.545 246 HG2 GLN 32 HG2 GLN 32 18.148 2.116 2.775 247 HG3 GLN 32 HG1 GLN 32 17.480 3.045 4.118 248 HE21 GLN 32 HE21 GLN 32 19.436 3.935 4.693 249 HE22 GLN 32 HE22 GLN 32 20.708 3.014 5.417 250 H PHE 33 HN PHE 33 14.128 1.105 5.096 251 HA PHE 33 HA PHE 33 13.869 3.721 6.428 252 HB2 PHE 33 HB2 PHE 33 12.403 2.803 3.945 253 HB3 PHE 33 HB1 PHE 33 12.202 4.353 4.753 254 HD1 PHE 33 HD2 PHE 33 14.190 5.923 4.851 255 HD2 PHE 33 HD1 PHE 33 14.060 2.504 2.321 256 HE1 PHE 33 HE2 PHE 33 15.988 6.877 3.471 257 HE2 PHE 33 HE1 PHE 33 15.855 3.456 0.938 258 HZ PHE 33 HZ PHE 33 16.821 5.645 1.511 259 H ASP 34 HN ASP 34 12.175 3.965 7.786 260 HA ASP 34 HA ASP 34 10.912 1.523 8.665 261 HB2 ASP 34 HB2 ASP 34 10.162 2.806 10.575 262 HB3 ASP 34 HB1 ASP 34 11.857 3.173 10.269 263 H ASP 35 HN ASP 35 8.525 1.874 9.483 264 HA ASP 35 HA ASP 35 6.904 1.823 7.229 265 HB2 ASP 35 HB2 ASP 35 6.146 2.339 10.105 266 HB3 ASP 35 HB1 ASP 35 4.977 2.058 8.822 267 H ARG 36 HN ARG 36 7.400 4.458 9.542 268 HA ARG 36 HA ARG 36 5.388 6.147 8.529 269 HB2 ARG 36 HB2 ARG 36 7.889 6.835 10.072 270 HB3 ARG 36 HB1 ARG 36 6.526 7.919 9.819 271 HG2 ARG 36 HG2 ARG 36 5.075 6.487 11.077 272 HG3 ARG 36 HG1 ARG 36 6.336 5.259 11.209 273 HD2 ARG 36 HD2 ARG 36 7.702 6.790 12.511 274 HD3 ARG 36 HD1 ARG 36 6.471 8.042 12.355 275 HE ARG 36 HE ARG 36 5.137 5.954 13.463 276 HH11 ARG 36 HH11 ARG 36 8.067 7.664 14.310 277 HH12 ARG 36 HH12 ARG 36 7.865 7.425 16.015 278 HH21 ARG 36 HH21 ARG 36 4.872 5.625 15.709 279 HH22 ARG 36 HH22 ARG 36 6.045 6.269 16.813 280 H ARG 37 HN ARG 37 8.619 5.524 7.508 281 HA ARG 37 HA ARG 37 8.869 7.903 5.911 282 HB2 ARG 37 HB2 ARG 37 10.820 6.746 6.912 283 HB3 ARG 37 HB1 ARG 37 10.504 5.360 5.880 284 HG2 ARG 37 HG2 ARG 37 12.310 6.722 5.000 285 HG3 ARG 37 HG1 ARG 37 10.927 6.722 3.905 286 HD2 ARG 37 HD2 ARG 37 10.265 8.899 4.623 287 HD3 ARG 37 HD1 ARG 37 11.449 8.890 5.928 288 HE ARG 37 HE ARG 37 13.176 8.893 4.138 289 HH11 ARG 37 HH11 ARG 37 9.960 10.102 3.447 290 HH12 ARG 37 HH12 ARG 37 10.499 11.161 2.185 291 HH21 ARG 37 HH21 ARG 37 13.881 10.293 2.488 292 HH22 ARG 37 HH22 ARG 37 12.723 11.266 1.638 293 H LEU 38 HN LEU 38 7.915 4.554 5.417 294 HA LEU 38 HA LEU 38 7.864 4.897 2.539 295 HB2 LEU 38 HB2 LEU 38 7.396 2.565 4.354 296 HB3 LEU 38 HB1 LEU 38 6.896 2.499 2.679 297 HG LEU 38 HG LEU 38 8.943 1.893 2.060 298 HD11 LEU 38 HD11 LEU 38 9.568 4.188 1.785 299 HD12 LEU 38 HD12 LEU 38 10.931 3.299 2.462 300 HD13 LEU 38 HD13 LEU 38 9.951 4.333 3.501 301 HD21 LEU 38 HD21 LEU 38 10.622 1.324 3.752 302 HD22 LEU 38 HD22 LEU 38 9.018 0.720 4.161 303 HD23 LEU 38 HD23 LEU 38 9.652 2.152 4.969 304 H LEU 39 HN LEU 39 5.540 4.695 5.188 305 HA LEU 39 HA LEU 39 3.274 4.348 3.521 306 HB2 LEU 39 HB2 LEU 39 1.929 5.033 5.473 307 HB3 LEU 39 HB1 LEU 39 3.073 3.759 5.828 308 HG LEU 39 HG LEU 39 4.573 5.621 6.777 309 HD11 LEU 39 HD11 LEU 39 3.397 7.540 5.879 310 HD12 LEU 39 HD12 LEU 39 3.372 7.575 7.643 311 HD13 LEU 39 HD13 LEU 39 1.936 7.076 6.751 312 HD21 LEU 39 HD21 LEU 39 1.983 4.897 8.134 313 HD22 LEU 39 HD22 LEU 39 3.423 5.521 8.937 314 HD23 LEU 39 HD23 LEU 39 3.469 3.947 8.144 315 H ALA 40 HN ALA 40 5.233 7.047 4.182 316 HA ALA 40 HA ALA 40 3.376 9.113 3.642 317 HB1 ALA 40 HB1 ALA 40 6.360 9.088 3.190 318 HB2 ALA 40 HB2 ALA 40 5.554 9.526 4.695 319 HB3 ALA 40 HB3 ALA 40 5.329 10.517 3.255 320 H LEU 41 HN LEU 41 5.064 6.853 1.663 321 HA LEU 41 HA LEU 41 4.749 8.193 -0.824 322 HB2 LEU 41 HB2 LEU 41 5.198 5.313 -0.066 323 HB3 LEU 41 HB1 LEU 41 5.012 5.820 -1.735 324 HG LEU 41 HG LEU 41 7.026 7.353 -0.246 325 HD11 LEU 41 HD11 LEU 41 7.594 4.481 -0.925 326 HD12 LEU 41 HD12 LEU 41 7.263 5.046 0.707 327 HD13 LEU 41 HD13 LEU 41 8.679 5.639 -0.163 328 HD21 LEU 41 HD21 LEU 41 8.260 7.026 -2.308 329 HD22 LEU 41 HD22 LEU 41 6.611 7.538 -2.665 330 HD23 LEU 41 HD23 LEU 41 7.070 5.845 -2.858 331 H LEU 42 HN LEU 42 2.661 6.409 1.235 332 HA LEU 42 HA LEU 42 0.631 6.230 -0.890 333 HB2 LEU 42 HB2 LEU 42 0.694 4.769 1.750 334 HB3 LEU 42 HB1 LEU 42 -0.505 4.574 0.491 335 HG LEU 42 HG LEU 42 0.739 2.736 0.068 336 HD11 LEU 42 HD11 LEU 42 0.874 4.044 -1.951 337 HD12 LEU 42 HD12 LEU 42 2.346 3.095 -1.732 338 HD13 LEU 42 HD13 LEU 42 2.349 4.822 -1.372 339 HD21 LEU 42 HD21 LEU 42 3.093 2.472 0.523 340 HD22 LEU 42 HD22 LEU 42 2.251 3.082 1.946 341 HD23 LEU 42 HD23 LEU 42 3.226 4.175 0.960 342 H HIS 43 HN HIS 43 1.485 8.458 1.045 343 HA HIS 43 HA HIS 43 -0.358 8.753 3.101 344 HB2 HIS 43 HB2 HIS 43 0.450 10.936 3.386 345 HB3 HIS 43 HB1 HIS 43 1.796 10.067 2.673 346 HD1 HIS 43 HD1 HIS 43 0.047 13.147 2.395 347 HD2 HIS 43 HD2 HIS 43 1.830 10.551 -0.320 348 HE1 HIS 43 HE1 HIS 43 0.444 14.505 0.317 349 HE2 HIS 43 HE2 HIS 43 1.662 12.958 -1.251 350 H ASP 44 HN ASP 44 -0.827 9.317 -0.287 351 HA ASP 44 HA ASP 44 -3.283 10.848 0.238 352 HB2 ASP 44 HB2 ASP 44 -3.187 11.527 -2.086 353 HB3 ASP 44 HB1 ASP 44 -1.611 11.802 -1.353 354 H LEU 45 HN LEU 45 -2.668 7.764 0.237 355 HA LEU 45 HA LEU 45 -4.376 6.965 -1.975 356 HB2 LEU 45 HB2 LEU 45 -2.010 6.048 -1.428 357 HB3 LEU 45 HB1 LEU 45 -2.859 5.049 -0.264 358 HG LEU 45 HG LEU 45 -4.131 3.983 -2.002 359 HD11 LEU 45 HD11 LEU 45 -4.554 5.808 -3.480 360 HD12 LEU 45 HD12 LEU 45 -3.674 4.584 -4.393 361 HD13 LEU 45 HD13 LEU 45 -2.834 6.019 -3.803 362 HD21 LEU 45 HD21 LEU 45 -1.241 4.219 -2.826 363 HD22 LEU 45 HD22 LEU 45 -2.343 2.909 -3.250 364 HD23 LEU 45 HD23 LEU 45 -1.860 3.149 -1.570 365 HA PRO 46 HA PRO 46 -6.448 4.379 1.395 366 HB2 PRO 46 HB2 PRO 46 -5.966 4.702 4.007 367 HB3 PRO 46 HB1 PRO 46 -4.906 3.744 2.974 368 HG2 PRO 46 HG2 PRO 46 -4.542 6.530 3.978 369 HG3 PRO 46 HG1 PRO 46 -3.352 5.225 3.816 370 HD2 PRO 46 HD2 PRO 46 -3.662 7.284 2.008 371 HD3 PRO 46 HD1 PRO 46 -2.951 5.709 1.622 372 H GLY 47 HN GLY 47 -8.166 4.631 3.153 373 HA2 GLY 47 HA2 GLY 47 -9.870 5.970 4.092 374 HA3 GLY 47 HA1 GLY 47 -9.210 7.368 3.247 375 H GLN 48 HN GLN 48 -9.112 4.967 1.107 376 HA GLN 48 HA GLN 48 -11.861 5.287 0.123 377 HB2 GLN 48 HB2 GLN 48 -9.292 5.513 -1.452 378 HB3 GLN 48 HB1 GLN 48 -10.863 5.276 -2.200 379 HG2 GLN 48 HG2 GLN 48 -11.633 7.388 -1.316 380 HG3 GLN 48 HG1 GLN 48 -10.100 7.616 -0.481 381 HE21 GLN 48 HE21 GLN 48 -11.688 7.494 -3.579 382 HE22 GLN 48 HE22 GLN 48 -10.449 8.319 -4.462 383 H GLU 49 HN GLU 49 -12.209 3.631 -1.713 384 HA GLU 49 HA GLU 49 -11.135 1.073 -0.804 385 HB2 GLU 49 HB2 GLU 49 -13.419 1.710 -2.678 386 HB3 GLU 49 HB1 GLU 49 -12.890 0.080 -2.287 387 HG2 GLU 49 HG2 GLU 49 -13.326 0.681 0.134 388 HG3 GLU 49 HG1 GLU 49 -14.155 2.109 -0.483 389 H LEU 50 HN LEU 50 -9.160 0.942 -1.619 390 HA LEU 50 HA LEU 50 -8.608 1.469 -4.420 391 HB2 LEU 50 HB2 LEU 50 -6.900 0.491 -2.131 392 HB3 LEU 50 HB1 LEU 50 -6.300 0.673 -3.765 393 HG LEU 50 HG LEU 50 -5.571 2.576 -2.586 394 HD11 LEU 50 HD11 LEU 50 -6.626 4.423 -3.719 395 HD12 LEU 50 HD12 LEU 50 -8.038 3.433 -4.078 396 HD13 LEU 50 HD13 LEU 50 -6.482 3.046 -4.814 397 HD21 LEU 50 HD21 LEU 50 -7.030 4.038 -1.289 398 HD22 LEU 50 HD22 LEU 50 -7.034 2.397 -0.645 399 HD23 LEU 50 HD23 LEU 50 -8.396 2.969 -1.609 400 H ASN 51 HN ASN 51 -8.388 -0.072 -5.974 401 HA ASN 51 HA ASN 51 -9.294 -2.747 -5.358 402 HB2 ASN 51 HB2 ASN 51 -9.796 -1.376 -7.487 403 HB3 ASN 51 HB1 ASN 51 -8.186 -1.840 -7.987 404 HD21 ASN 51 HD21 ASN 51 -10.671 -2.453 -9.238 405 HD22 ASN 51 HD22 ASN 51 -10.814 -4.172 -9.271 406 H LEU 52 HN LEU 52 -8.012 -4.684 -5.972 407 HA LEU 52 HA LEU 52 -5.626 -4.779 -4.593 408 HB2 LEU 52 HB2 LEU 52 -6.827 -6.547 -6.678 409 HB3 LEU 52 HB1 LEU 52 -5.207 -6.877 -6.100 410 HG LEU 52 HG LEU 52 -6.897 -8.235 -4.946 411 HD11 LEU 52 HD11 LEU 52 -5.589 -6.186 -3.166 412 HD12 LEU 52 HD12 LEU 52 -4.835 -7.653 -3.787 413 HD13 LEU 52 HD13 LEU 52 -6.189 -7.765 -2.661 414 HD21 LEU 52 HD21 LEU 52 -7.958 -5.590 -3.964 415 HD22 LEU 52 HD22 LEU 52 -8.455 -7.175 -3.375 416 HD23 LEU 52 HD23 LEU 52 -8.784 -6.712 -5.045 417 H SER 53 HN SER 53 -6.055 -4.392 -8.095 418 HA SER 53 HA SER 53 -3.429 -4.332 -8.933 419 HB2 SER 53 HB2 SER 53 -5.580 -2.436 -9.898 420 HB3 SER 53 HB1 SER 53 -4.198 -3.040 -10.814 421 HG SER 53 HG SER 53 -5.119 -5.131 -10.680 422 H GLN 54 HN GLN 54 -5.357 -1.710 -7.551 423 HA GLN 54 HA GLN 54 -3.350 0.284 -7.733 424 HB2 GLN 54 HB2 GLN 54 -5.909 0.049 -6.164 425 HB3 GLN 54 HB1 GLN 54 -4.868 1.456 -6.020 426 HG2 GLN 54 HG2 GLN 54 -5.097 1.889 -8.401 427 HG3 GLN 54 HG1 GLN 54 -6.100 0.451 -8.577 428 HE21 GLN 54 HE21 GLN 54 -6.653 3.277 -9.117 429 HE22 GLN 54 HE22 GLN 54 -8.064 3.666 -8.200 430 H LEU 55 HN LEU 55 -4.371 -1.897 -5.108 431 HA LEU 55 HA LEU 55 -2.650 -1.041 -3.136 432 HB2 LEU 55 HB2 LEU 55 -3.827 -3.698 -3.807 433 HB3 LEU 55 HB1 LEU 55 -2.646 -3.586 -2.527 434 HG LEU 55 HG LEU 55 -4.088 -1.842 -1.467 435 HD11 LEU 55 HD11 LEU 55 -6.084 -2.779 -3.483 436 HD12 LEU 55 HD12 LEU 55 -5.328 -1.186 -3.408 437 HD13 LEU 55 HD13 LEU 55 -6.405 -1.714 -2.113 438 HD21 LEU 55 HD21 LEU 55 -5.285 -4.578 -1.837 439 HD22 LEU 55 HD22 LEU 55 -5.684 -3.450 -0.541 440 HD23 LEU 55 HD23 LEU 55 -4.061 -4.130 -0.651 441 H HIS 56 HN HIS 56 -2.015 -3.409 -5.728 442 HA HIS 56 HA HIS 56 0.661 -3.928 -4.940 443 HB2 HIS 56 HB2 HIS 56 -0.732 -4.280 -7.597 444 HB3 HIS 56 HB1 HIS 56 0.941 -4.739 -7.326 445 HD1 HIS 56 HD1 HIS 56 1.388 -6.898 -6.028 446 HD2 HIS 56 HD2 HIS 56 -2.644 -5.949 -6.352 447 HE1 HIS 56 HE1 HIS 56 0.149 -8.965 -5.327 448 HE2 HIS 56 HE2 HIS 56 -2.272 -8.440 -5.780 449 H ALA 57 HN ALA 57 -0.810 -1.529 -7.040 450 HA ALA 57 HA ALA 57 1.575 -0.480 -8.136 451 HB1 ALA 57 HB1 ALA 57 -1.074 0.891 -7.692 452 HB2 ALA 57 HB2 ALA 57 -0.621 -0.051 -9.112 453 HB3 ALA 57 HB3 ALA 57 0.220 1.456 -8.750 454 H ALA 58 HN ALA 58 -0.078 0.024 -5.111 455 HA ALA 58 HA ALA 58 1.249 2.362 -4.257 456 HB1 ALA 58 HB1 ALA 58 0.602 1.669 -2.000 457 HB2 ALA 58 HB2 ALA 58 0.183 0.067 -2.607 458 HB3 ALA 58 HB3 ALA 58 -0.736 1.476 -3.134 459 H ALA 59 HN ALA 59 2.052 -1.060 -4.070 460 HA ALA 59 HA ALA 59 4.402 -0.803 -2.523 461 HB1 ALA 59 HB1 ALA 59 4.927 -3.057 -3.315 462 HB2 ALA 59 HB2 ALA 59 3.653 -2.929 -4.528 463 HB3 ALA 59 HB3 ALA 59 3.240 -2.932 -2.814 464 H ALA 60 HN ALA 60 3.707 -0.442 -5.922 465 HA ALA 60 HA ALA 60 6.363 -0.534 -6.883 466 HB1 ALA 60 HB1 ALA 60 3.975 0.885 -8.060 467 HB2 ALA 60 HB2 ALA 60 4.430 -0.793 -8.357 468 HB3 ALA 60 HB3 ALA 60 5.479 0.515 -8.903 469 H ARG 61 HN ARG 61 4.338 2.078 -5.653 470 HA ARG 61 HA ARG 61 5.953 4.279 -6.202 471 HB2 ARG 61 HB2 ARG 61 4.278 3.723 -3.743 472 HB3 ARG 61 HB1 ARG 61 4.982 5.284 -4.123 473 HG2 ARG 61 HG2 ARG 61 3.607 5.465 -6.103 474 HG3 ARG 61 HG1 ARG 61 2.961 3.845 -5.826 475 HD2 ARG 61 HD2 ARG 61 1.950 4.549 -3.756 476 HD3 ARG 61 HD1 ARG 61 2.700 6.132 -3.880 477 HE ARG 61 HE ARG 61 0.882 5.372 -6.025 478 HH11 ARG 61 HH11 ARG 61 1.397 7.160 -3.050 479 HH12 ARG 61 HH12 ARG 61 -0.013 8.165 -3.253 480 HH21 ARG 61 HH21 ARG 61 -0.994 6.680 -6.273 481 HH22 ARG 61 HH22 ARG 61 -1.371 7.874 -5.075 482 H ILE 62 HN ILE 62 6.113 1.914 -3.622 483 HA ILE 62 HA ILE 62 8.192 3.266 -2.180 484 HB ILE 62 HB ILE 62 7.062 0.490 -1.866 485 HG12 ILE 62 HG12 ILE 62 6.474 3.053 -0.379 486 HG13 ILE 62 HG11 ILE 62 5.410 2.277 -1.545 487 HG21 ILE 62 HG21 ILE 62 8.040 0.563 0.400 488 HG22 ILE 62 HG22 ILE 62 8.839 2.082 -0.023 489 HG23 ILE 62 HG23 ILE 62 9.262 0.595 -0.875 490 HD11 ILE 62 HD11 ILE 62 5.061 0.430 -0.097 491 HD12 ILE 62 HD12 ILE 62 4.827 1.910 0.838 492 HD13 ILE 62 HD13 ILE 62 6.321 0.991 1.002 493 H GLY 63 HN GLY 63 7.981 0.563 -4.419 494 HA2 GLY 63 HA2 GLY 63 10.600 -0.394 -4.194 495 HA3 GLY 63 HA1 GLY 63 9.616 -0.486 -5.646 496 H ASP 64 HN ASP 64 9.289 2.081 -6.387 497 HA ASP 64 HA ASP 64 11.788 2.755 -7.539 498 HB2 ASP 64 HB2 ASP 64 9.142 4.196 -7.394 499 HB3 ASP 64 HB1 ASP 64 10.546 4.920 -8.169 500 H PHE 65 HN PHE 65 10.152 3.775 -4.634 501 HA PHE 65 HA PHE 65 11.573 6.111 -4.047 502 HB2 PHE 65 HB2 PHE 65 9.604 5.399 -2.765 503 HB3 PHE 65 HB1 PHE 65 10.492 4.011 -2.147 504 HD1 PHE 65 HD1 PHE 65 10.304 7.701 -2.090 505 HD2 PHE 65 HD2 PHE 65 11.894 4.199 -0.267 506 HE1 PHE 65 HE1 PHE 65 11.061 9.045 -0.176 507 HE2 PHE 65 HE2 PHE 65 12.655 5.539 1.650 508 HZ PHE 65 HZ PHE 65 12.239 7.964 1.696 509 H TYR 66 HN TYR 66 12.236 2.753 -3.121 510 HA TYR 66 HA TYR 66 14.695 3.217 -1.847 511 HB2 TYR 66 HB2 TYR 66 13.302 0.856 -2.999 512 HB3 TYR 66 HB1 TYR 66 15.028 0.707 -2.701 513 HD1 TYR 66 HD2 TYR 66 11.907 1.804 -1.009 514 HD2 TYR 66 HD1 TYR 66 15.738 0.008 -0.601 515 HE1 TYR 66 HE2 TYR 66 11.424 1.346 1.344 516 HE2 TYR 66 HE1 TYR 66 15.270 -0.465 1.763 517 HH TYR 66 HH TYR 66 13.799 0.404 3.566 518 H GLN 67 HN GLN 67 13.916 2.403 -5.203 519 HA GLN 67 HA GLN 67 16.546 2.092 -6.122 520 HB2 GLN 67 HB2 GLN 67 14.171 3.079 -7.708 521 HB3 GLN 67 HB1 GLN 67 15.637 2.358 -8.359 522 HG2 GLN 67 HG2 GLN 67 15.078 0.267 -7.151 523 HG3 GLN 67 HG1 GLN 67 13.558 1.005 -6.661 524 HE21 GLN 67 HE21 GLN 67 15.364 -0.379 -9.260 525 HE22 GLN 67 HE22 GLN 67 14.060 -0.463 -10.393 526 H GLU 68 HN GLU 68 14.521 4.948 -5.784 527 HA GLU 68 HA GLU 68 16.213 6.788 -7.089 528 HB2 GLU 68 HB2 GLU 68 13.898 7.320 -6.504 529 HB3 GLU 68 HB1 GLU 68 14.296 7.220 -4.793 530 HG2 GLU 68 HG2 GLU 68 15.924 9.085 -5.159 531 HG3 GLU 68 HG1 GLU 68 15.259 9.254 -6.782 532 H LYS 69 HN LYS 69 16.174 5.481 -3.838 533 HA LYS 69 HA LYS 69 18.091 7.373 -2.837 534 HB2 LYS 69 HB2 LYS 69 17.173 4.786 -1.584 535 HB3 LYS 69 HB1 LYS 69 18.003 6.104 -0.772 536 HG2 LYS 69 HG2 LYS 69 15.210 6.106 -1.887 537 HG3 LYS 69 HG1 LYS 69 15.700 6.220 -0.197 538 HD2 LYS 69 HD2 LYS 69 16.698 8.388 -0.596 539 HD3 LYS 69 HD1 LYS 69 16.329 8.270 -2.320 540 HE2 LYS 69 HE2 LYS 69 13.912 8.087 -1.684 541 HE3 LYS 69 HE1 LYS 69 14.383 8.473 -0.031 542 HZ1 LYS 69 HZ1 LYS 69 14.631 10.186 -2.438 543 HZ2 LYS 69 HZ2 LYS 69 15.399 10.544 -0.969 544 HZ3 LYS 69 HZ3 LYS 69 13.713 10.475 -1.045 545 H GLY 70 HN GLY 70 18.358 4.787 -4.855 546 HA2 GLY 70 HA2 GLY 70 20.579 4.330 -5.730 547 HA3 GLY 70 HA1 GLY 70 21.176 4.384 -4.078 548 H TYR 71 HN TYR 71 18.386 2.863 -3.704 549 HA TYR 71 HA TYR 71 19.648 0.233 -3.796 550 HB2 TYR 71 HB2 TYR 71 16.953 0.983 -2.645 551 HB3 TYR 71 HB1 TYR 71 17.859 -0.495 -2.338 552 HD1 TYR 71 HD1 TYR 71 20.101 -0.268 -1.166 553 HD2 TYR 71 HD2 TYR 71 17.214 2.847 -1.265 554 HE1 TYR 71 HE1 TYR 71 21.146 0.746 0.803 555 HE2 TYR 71 HE2 TYR 71 18.255 3.880 0.705 556 HH TYR 71 HH TYR 71 19.651 3.215 2.604 557 H VAL 72 HN VAL 72 19.500 0.527 -6.213 558 HA VAL 72 HA VAL 72 17.001 0.577 -7.537 559 HB VAL 72 HB VAL 72 19.649 -0.416 -8.604 560 HG11 VAL 72 HG11 VAL 72 17.776 -1.052 -10.018 561 HG12 VAL 72 HG12 VAL 72 18.736 0.205 -10.798 562 HG13 VAL 72 HG13 VAL 72 17.200 0.614 -10.034 563 HG21 VAL 72 HG21 VAL 72 18.468 2.359 -8.603 564 HG22 VAL 72 HG22 VAL 72 19.927 1.875 -9.465 565 HG23 VAL 72 HG23 VAL 72 19.886 1.823 -7.702 566 H LEU 73 HN LEU 73 18.968 -1.966 -6.236 567 HA LEU 73 HA LEU 73 17.664 -4.131 -7.573 568 HB2 LEU 73 HB2 LEU 73 19.929 -4.320 -6.638 569 HB3 LEU 73 HB1 LEU 73 19.282 -4.090 -5.025 570 HG LEU 73 HG LEU 73 17.986 -6.202 -5.297 571 HD11 LEU 73 HD11 LEU 73 17.863 -6.268 -7.719 572 HD12 LEU 73 HD12 LEU 73 18.629 -7.732 -7.101 573 HD13 LEU 73 HD13 LEU 73 19.613 -6.458 -7.821 574 HD21 LEU 73 HD21 LEU 73 20.969 -6.421 -5.644 575 HD22 LEU 73 HD22 LEU 73 19.908 -7.675 -5.003 576 HD23 LEU 73 HD23 LEU 73 20.117 -6.161 -4.123 577 H ALA 74 HN ALA 74 16.972 -2.173 -4.840 578 HA ALA 74 HA ALA 74 15.311 -4.095 -3.487 579 HB1 ALA 74 HB1 ALA 74 15.758 -1.154 -3.020 580 HB2 ALA 74 HB2 ALA 74 16.525 -2.493 -2.165 581 HB3 ALA 74 HB3 ALA 74 14.795 -2.201 -1.981 582 H ARG 75 HN ARG 75 13.211 -4.389 -3.701 583 HA ARG 75 HA ARG 75 11.551 -2.285 -4.865 584 HB2 ARG 75 HB2 ARG 75 11.711 -5.126 -5.870 585 HB3 ARG 75 HB1 ARG 75 10.307 -4.108 -6.153 586 HG2 ARG 75 HG2 ARG 75 13.101 -3.407 -7.004 587 HG3 ARG 75 HG1 ARG 75 11.913 -4.195 -8.040 588 HD2 ARG 75 HD2 ARG 75 11.586 -1.495 -6.736 589 HD3 ARG 75 HD1 ARG 75 12.035 -1.765 -8.418 590 HE ARG 75 HE ARG 75 9.608 -3.099 -7.828 591 HH11 ARG 75 HH11 ARG 75 10.934 0.080 -8.455 592 HH12 ARG 75 HH12 ARG 75 9.419 0.754 -8.983 593 HH21 ARG 75 HH21 ARG 75 7.624 -2.234 -8.572 594 HH22 ARG 75 HH22 ARG 75 7.553 -0.579 -9.093 595 H ALA 76 HN ALA 76 9.323 -2.514 -4.353 596 HA ALA 76 HA ALA 76 8.869 -4.197 -1.983 597 HB1 ALA 76 HB1 ALA 76 7.576 -1.560 -2.679 598 HB2 ALA 76 HB2 ALA 76 8.822 -1.813 -1.455 599 HB3 ALA 76 HB3 ALA 76 7.225 -2.537 -1.253 600 H PHE 77 HN PHE 77 7.174 -5.564 -1.999 601 HA PHE 77 HA PHE 77 5.267 -5.359 -4.225 602 HB2 PHE 77 HB2 PHE 77 5.324 -7.764 -4.559 603 HB3 PHE 77 HB1 PHE 77 6.954 -7.124 -4.725 604 HD1 PHE 77 HD1 PHE 77 8.621 -7.505 -2.958 605 HD2 PHE 77 HD2 PHE 77 4.766 -9.305 -2.829 606 HE1 PHE 77 HE1 PHE 77 9.436 -9.116 -1.289 607 HE2 PHE 77 HE2 PHE 77 5.574 -10.920 -1.158 608 HZ PHE 77 HZ PHE 77 7.887 -10.827 -0.375 609 H LEU 78 HN LEU 78 3.181 -6.194 -3.766 610 HA LEU 78 HA LEU 78 2.669 -6.277 -0.881 611 HB2 LEU 78 HB2 LEU 78 1.669 -4.425 -2.277 612 HB3 LEU 78 HB1 LEU 78 0.690 -5.647 -3.063 613 HG LEU 78 HG LEU 78 0.595 -5.305 -0.081 614 HD11 LEU 78 HD11 LEU 78 0.140 -3.112 -0.858 615 HD12 LEU 78 HD12 LEU 78 -1.421 -3.862 -0.521 616 HD13 LEU 78 HD13 LEU 78 -0.848 -3.717 -2.182 617 HD21 LEU 78 HD21 LEU 78 -0.422 -7.299 -1.052 618 HD22 LEU 78 HD22 LEU 78 -1.391 -6.286 -2.125 619 HD23 LEU 78 HD23 LEU 78 -1.645 -6.220 -0.380 620 HA PRO 79 HA PRO 79 1.844 -10.650 -1.681 621 HB2 PRO 79 HB2 PRO 79 1.231 -11.136 0.966 622 HB3 PRO 79 HB1 PRO 79 2.857 -11.208 0.281 623 HG2 PRO 79 HG2 PRO 79 1.536 -8.988 1.789 624 HG3 PRO 79 HG1 PRO 79 3.197 -9.594 1.908 625 HD2 PRO 79 HD2 PRO 79 2.626 -7.352 0.584 626 HD3 PRO 79 HD1 PRO 79 3.871 -8.472 -0.005 627 H ALA 80 HN ALA 80 -0.038 -10.744 -2.767 628 HA ALA 80 HA ALA 80 -2.484 -9.653 -1.753 629 HB1 ALA 80 HB1 ALA 80 -3.493 -10.575 -3.765 630 HB2 ALA 80 HB2 ALA 80 -2.020 -11.481 -4.104 631 HB3 ALA 80 HB3 ALA 80 -2.001 -9.719 -4.151 632 H GLN 81 HN GLN 81 -4.456 -10.942 -1.487 633 HA GLN 81 HA GLN 81 -5.676 -12.526 -0.433 634 HB2 GLN 81 HB2 GLN 81 -3.465 -14.354 -1.377 635 HB3 GLN 81 HB1 GLN 81 -4.961 -14.909 -0.637 636 HG2 GLN 81 HG2 GLN 81 -6.237 -13.892 -2.457 637 HG3 GLN 81 HG1 GLN 81 -4.735 -13.348 -3.200 638 HE21 GLN 81 HE21 GLN 81 -6.805 -15.118 -4.232 639 HE22 GLN 81 HE22 GLN 81 -6.017 -16.609 -4.616 640 H GLU 82 HN GLU 82 -3.147 -11.213 0.805 641 HA GLU 82 HA GLU 82 -3.365 -12.671 3.344 642 HB2 GLU 82 HB2 GLU 82 -1.197 -13.170 2.122 643 HB3 GLU 82 HB1 GLU 82 -0.792 -11.468 2.296 644 HG2 GLU 82 HG2 GLU 82 -0.756 -11.659 4.683 645 HG3 GLU 82 HG1 GLU 82 -1.350 -13.315 4.601 646 H ILE 83 HN ILE 83 -4.799 -10.462 2.381 647 HA ILE 83 HA ILE 83 -3.646 -8.141 3.764 648 HB ILE 83 HB ILE 83 -5.815 -8.193 1.676 649 HG12 ILE 83 HG12 ILE 83 -2.892 -7.466 1.400 650 HG13 ILE 83 HG11 ILE 83 -3.639 -8.935 0.778 651 HG21 ILE 83 HG21 ILE 83 -4.237 -5.893 2.811 652 HG22 ILE 83 HG22 ILE 83 -5.915 -6.275 3.196 653 HG23 ILE 83 HG23 ILE 83 -5.473 -5.788 1.558 654 HD11 ILE 83 HD11 ILE 83 -3.326 -7.298 -0.977 655 HD12 ILE 83 HD12 ILE 83 -4.283 -6.126 -0.070 656 HD13 ILE 83 HD13 ILE 83 -5.041 -7.590 -0.695 657 H GLN 84 HN GLN 84 -4.953 -6.923 5.156 658 HA GLN 84 HA GLN 84 -7.294 -8.356 6.195 659 HB2 GLN 84 HB2 GLN 84 -5.715 -6.119 7.490 660 HB3 GLN 84 HB1 GLN 84 -6.962 -7.102 8.250 661 HG2 GLN 84 HG2 GLN 84 -5.094 -8.141 9.039 662 HG3 GLN 84 HG1 GLN 84 -5.373 -9.073 7.570 663 HE21 GLN 84 HE21 GLN 84 -3.315 -9.664 7.129 664 HE22 GLN 84 HE22 GLN 84 -2.046 -8.554 6.761 665 H ASP 85 HN ASP 85 -9.112 -6.913 6.946 666 HA ASP 85 HA ASP 85 -9.879 -5.357 4.662 667 HB2 ASP 85 HB2 ASP 85 -12.077 -5.216 5.693 668 HB3 ASP 85 HB1 ASP 85 -11.476 -6.866 5.780 669 H GLY 86 HN GLY 86 -7.974 -3.903 5.206 670 HA2 GLY 86 HA2 GLY 86 -8.566 -1.352 5.469 671 HA3 GLY 86 HA1 GLY 86 -8.622 -1.830 7.160 672 H THR 87 HN THR 87 -6.525 -3.756 6.995 673 HA THR 87 HA THR 87 -4.246 -1.929 6.803 674 HB THR 87 HB THR 87 -4.376 -4.623 8.172 675 HG1 THR 87 HG1 THR 87 -5.281 -2.140 8.924 676 HG21 THR 87 HG21 THR 87 -2.395 -2.353 8.395 677 HG22 THR 87 HG22 THR 87 -2.114 -3.888 7.573 678 HG23 THR 87 HG23 THR 87 -2.353 -3.854 9.321 679 H VAL 88 HN VAL 88 -2.954 -2.117 5.095 680 HA VAL 88 HA VAL 88 -2.858 -4.701 3.698 681 HB VAL 88 HB VAL 88 -2.027 -3.494 1.738 682 HG11 VAL 88 HG11 VAL 88 -4.075 -2.239 1.193 683 HG12 VAL 88 HG12 VAL 88 -4.554 -2.315 2.889 684 HG13 VAL 88 HG13 VAL 88 -4.421 -3.796 1.942 685 HG21 VAL 88 HG21 VAL 88 -0.876 -1.684 2.938 686 HG22 VAL 88 HG22 VAL 88 -2.444 -0.987 3.359 687 HG23 VAL 88 HG23 VAL 88 -1.942 -1.075 1.669 688 H ARG 89 HN ARG 89 -1.016 -5.855 3.766 689 HA ARG 89 HA ARG 89 1.309 -4.540 4.973 690 HB2 ARG 89 HB2 ARG 89 0.123 -6.827 5.766 691 HB3 ARG 89 HB1 ARG 89 1.298 -7.478 4.626 692 HG2 ARG 89 HG2 ARG 89 3.114 -6.555 5.831 693 HG3 ARG 89 HG1 ARG 89 2.030 -5.630 6.875 694 HD2 ARG 89 HD2 ARG 89 1.137 -7.690 7.803 695 HD3 ARG 89 HD1 ARG 89 2.157 -8.633 6.720 696 HE ARG 89 HE ARG 89 4.020 -7.268 7.971 697 HH11 ARG 89 HH11 ARG 89 1.163 -8.782 9.339 698 HH12 ARG 89 HH12 ARG 89 1.900 -9.048 10.887 699 HH21 ARG 89 HH21 ARG 89 4.974 -7.619 10.015 700 HH22 ARG 89 HH22 ARG 89 4.058 -8.399 11.268 701 H ILE 90 HN ILE 90 2.783 -3.869 3.611 702 HA ILE 90 HA ILE 90 3.160 -5.300 1.070 703 HB ILE 90 HB ILE 90 4.133 -2.548 1.866 704 HG12 ILE 90 HG12 ILE 90 1.830 -3.386 0.097 705 HG13 ILE 90 HG11 ILE 90 1.702 -2.598 1.665 706 HG21 ILE 90 HG21 ILE 90 4.182 -3.952 -0.803 707 HG22 ILE 90 HG22 ILE 90 5.578 -3.604 0.219 708 HG23 ILE 90 HG23 ILE 90 4.668 -2.281 -0.512 709 HD11 ILE 90 HD11 ILE 90 1.318 -1.032 -0.153 710 HD12 ILE 90 HD12 ILE 90 2.911 -1.397 -0.817 711 HD13 ILE 90 HD13 ILE 90 2.769 -0.605 0.753 712 H GLU 91 HN GLU 91 5.025 -6.359 0.673 713 HA GLU 91 HA GLU 91 6.991 -6.372 2.836 714 HB2 GLU 91 HB2 GLU 91 6.562 -8.302 0.554 715 HB3 GLU 91 HB1 GLU 91 7.836 -8.446 1.758 716 HG2 GLU 91 HG2 GLU 91 6.044 -8.501 3.506 717 HG3 GLU 91 HG1 GLU 91 4.871 -8.618 2.197 718 H VAL 92 HN VAL 92 8.889 -5.487 2.639 719 HA VAL 92 HA VAL 92 9.621 -4.337 0.047 720 HB VAL 92 HB VAL 92 10.719 -3.730 2.799 721 HG11 VAL 92 HG11 VAL 92 11.748 -1.775 1.712 722 HG12 VAL 92 HG12 VAL 92 11.187 -2.365 0.148 723 HG13 VAL 92 HG13 VAL 92 12.367 -3.299 1.072 724 HG21 VAL 92 HG21 VAL 92 8.735 -2.234 1.087 725 HG22 VAL 92 HG22 VAL 92 9.478 -1.594 2.549 726 HG23 VAL 92 HG23 VAL 92 8.421 -3.003 2.643 727 H LEU 93 HN LEU 93 10.911 -5.574 -1.128 728 HA LEU 93 HA LEU 93 12.850 -7.316 0.194 729 HB2 LEU 93 HB2 LEU 93 11.354 -8.167 -1.643 730 HB3 LEU 93 HB1 LEU 93 12.192 -7.094 -2.747 731 HG LEU 93 HG LEU 93 14.304 -8.306 -2.284 732 HD11 LEU 93 HD11 LEU 93 13.792 -9.126 -0.054 733 HD12 LEU 93 HD12 LEU 93 14.207 -10.460 -1.129 734 HD13 LEU 93 HD13 LEU 93 12.522 -10.157 -0.710 735 HD21 LEU 93 HD21 LEU 93 13.718 -10.329 -3.528 736 HD22 LEU 93 HD22 LEU 93 12.935 -8.901 -4.208 737 HD23 LEU 93 HD23 LEU 93 12.009 -10.028 -3.215 738 H GLU 94 HN GLU 94 14.357 -5.848 0.892 739 HA GLU 94 HA GLU 94 15.264 -3.637 -0.616 740 HB2 GLU 94 HB2 GLU 94 16.612 -4.992 1.713 741 HB3 GLU 94 HB1 GLU 94 16.940 -3.371 1.128 742 HG2 GLU 94 HG2 GLU 94 14.639 -2.725 1.737 743 HG3 GLU 94 HG1 GLU 94 14.387 -4.346 2.387 744 H GLY 95 HN GLY 95 16.092 -6.940 -0.746 745 HA2 GLY 95 HA2 GLY 95 17.358 -7.526 -2.796 746 HA3 GLY 95 HA1 GLY 95 18.499 -6.276 -2.320 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -10.723 11.780 11.249 2 H2 MET 1 HT2 MET 1 -11.993 10.918 10.533 3 H3 MET 1 HT3 MET 1 -10.421 10.300 10.490 4 HA MET 1 HA MET 1 -11.749 9.142 12.115 5 HB2 MET 1 HB2 MET 1 -9.615 10.921 13.308 6 HB3 MET 1 HB1 MET 1 -10.270 9.488 14.083 7 HG2 MET 1 HG2 MET 1 -8.752 9.560 11.486 8 HG3 MET 1 HG1 MET 1 -8.126 9.031 13.046 9 HE1 MET 1 HE1 MET 1 -7.807 7.245 10.530 10 HE2 MET 1 HE2 MET 1 -8.321 5.662 11.111 11 HE3 MET 1 HE3 MET 1 -7.325 6.696 12.135 12 H ALA 2 HN ALA 2 -11.064 12.361 13.510 13 HA ALA 2 HA ALA 2 -13.377 12.159 15.206 14 HB1 ALA 2 HB1 ALA 2 -12.679 14.314 16.085 15 HB2 ALA 2 HB2 ALA 2 -11.503 14.482 14.785 16 HB3 ALA 2 HB3 ALA 2 -11.306 13.211 15.991 17 H HIS 3 HN HIS 3 -12.393 14.728 12.928 18 HA HIS 3 HA HIS 3 -15.002 15.798 12.702 19 HB2 HIS 3 HB2 HIS 3 -12.585 16.096 10.909 20 HB3 HIS 3 HB1 HIS 3 -14.074 17.006 10.703 21 HD1 HIS 3 HD1 HIS 3 -11.366 18.391 11.256 22 HD2 HIS 3 HD2 HIS 3 -14.169 17.429 14.171 23 HE1 HIS 3 HE1 HIS 3 -10.921 19.962 13.167 24 HE2 HIS 3 HE2 HIS 3 -12.525 19.257 14.978 25 H HIS 4 HN HIS 4 -13.091 14.107 10.209 26 HA HIS 4 HA HIS 4 -15.511 13.266 8.867 27 HB2 HIS 4 HB2 HIS 4 -12.591 12.713 8.326 28 HB3 HIS 4 HB1 HIS 4 -13.890 11.991 7.387 29 HD1 HIS 4 HD1 HIS 4 -11.600 14.166 6.528 30 HD2 HIS 4 HD2 HIS 4 -15.682 14.761 7.021 31 HE1 HIS 4 HE1 HIS 4 -12.161 16.186 5.142 32 HE2 HIS 4 HE2 HIS 4 -14.608 16.610 5.573 33 H HIS 5 HN HIS 5 -16.549 11.998 10.342 34 HA HIS 5 HA HIS 5 -15.152 9.566 11.218 35 HB2 HIS 5 HB2 HIS 5 -16.169 11.063 12.961 36 HB3 HIS 5 HB1 HIS 5 -17.749 10.707 12.270 37 HD1 HIS 5 HD1 HIS 5 -14.892 9.025 14.068 38 HD2 HIS 5 HD2 HIS 5 -18.883 8.357 13.122 39 HE1 HIS 5 HE1 HIS 5 -15.552 6.956 15.332 40 HE2 HIS 5 HE2 HIS 5 -17.938 6.506 14.658 41 H HIS 6 HN HIS 6 -18.172 10.749 9.818 42 HA HIS 6 HA HIS 6 -19.160 8.144 9.172 43 HB2 HIS 6 HB2 HIS 6 -19.969 10.929 8.349 44 HB3 HIS 6 HB1 HIS 6 -20.742 9.499 7.676 45 HD1 HIS 6 HD1 HIS 6 -20.519 11.549 10.793 46 HD2 HIS 6 HD2 HIS 6 -22.432 8.115 9.432 47 HE1 HIS 6 HE1 HIS 6 -22.283 11.029 12.506 48 HE2 HIS 6 HE2 HIS 6 -23.475 8.997 11.627 49 H HIS 7 HN HIS 7 -18.110 6.918 7.777 50 HA HIS 7 HA HIS 7 -16.396 7.886 5.749 51 HB2 HIS 7 HB2 HIS 7 -17.664 5.162 6.108 52 HB3 HIS 7 HB1 HIS 7 -16.411 5.526 4.927 53 HD1 HIS 7 HD1 HIS 7 -16.875 4.383 8.323 54 HD2 HIS 7 HD2 HIS 7 -13.919 6.417 6.231 55 HE1 HIS 7 HE1 HIS 7 -14.802 4.197 9.730 56 HE2 HIS 7 HE2 HIS 7 -13.075 5.575 8.525 57 H HIS 8 HN HIS 8 -16.968 8.846 3.940 58 HA HIS 8 HA HIS 8 -19.447 7.980 2.619 59 HB2 HIS 8 HB2 HIS 8 -19.771 10.353 1.865 60 HB3 HIS 8 HB1 HIS 8 -19.973 10.108 3.594 61 HD1 HIS 8 HD1 HIS 8 -18.136 11.115 5.160 62 HD2 HIS 8 HD2 HIS 8 -17.690 12.049 1.128 63 HE1 HIS 8 HE1 HIS 8 -16.484 13.011 5.079 64 HE2 HIS 8 HE2 HIS 8 -16.223 13.555 2.632 65 H VAL 9 HN VAL 9 -17.137 6.808 2.015 66 HA VAL 9 HA VAL 9 -16.356 8.016 -0.555 67 HB VAL 9 HB VAL 9 -14.809 5.999 1.081 68 HG11 VAL 9 HG11 VAL 9 -14.488 5.742 -1.332 69 HG12 VAL 9 HG12 VAL 9 -13.030 6.339 -0.545 70 HG13 VAL 9 HG13 VAL 9 -14.055 7.447 -1.454 71 HG21 VAL 9 HG21 VAL 9 -13.204 7.819 1.442 72 HG22 VAL 9 HG22 VAL 9 -14.784 8.197 2.127 73 HG23 VAL 9 HG23 VAL 9 -14.286 8.931 0.605 74 H ASP 10 HN ASP 10 -16.774 6.903 -2.369 75 HA ASP 10 HA ASP 10 -18.076 4.288 -2.037 76 HB2 ASP 10 HB2 ASP 10 -19.329 4.811 -4.086 77 HB3 ASP 10 HB1 ASP 10 -19.582 6.042 -2.854 78 H ASP 11 HN ASP 11 -17.140 2.577 -2.920 79 HA ASP 11 HA ASP 11 -15.004 2.928 -4.869 80 HB2 ASP 11 HB2 ASP 11 -14.422 0.684 -4.490 81 HB3 ASP 11 HB1 ASP 11 -14.951 1.242 -2.910 82 H ASP 12 HN ASP 12 -18.290 1.941 -4.569 83 HA ASP 12 HA ASP 12 -19.956 1.522 -6.041 84 HB2 ASP 12 HB2 ASP 12 -19.262 3.897 -6.557 85 HB3 ASP 12 HB1 ASP 12 -18.374 3.254 -7.935 86 H ASP 13 HN ASP 13 -19.371 -0.704 -6.218 87 HA ASP 13 HA ASP 13 -19.058 -2.631 -7.357 88 HB2 ASP 13 HB2 ASP 13 -20.496 -1.615 -9.085 89 HB3 ASP 13 HB1 ASP 13 -19.075 -0.894 -9.836 90 H LYS 14 HN LYS 14 -17.148 -3.369 -6.750 91 HA LYS 14 HA LYS 14 -14.682 -2.234 -7.172 92 HB2 LYS 14 HB2 LYS 14 -13.796 -4.605 -6.797 93 HB3 LYS 14 HB1 LYS 14 -14.768 -3.880 -5.526 94 HG2 LYS 14 HG2 LYS 14 -15.806 -5.876 -5.576 95 HG3 LYS 14 HG1 LYS 14 -16.688 -5.124 -6.904 96 HD2 LYS 14 HD2 LYS 14 -15.090 -6.123 -8.494 97 HD3 LYS 14 HD1 LYS 14 -14.280 -6.924 -7.148 98 HE2 LYS 14 HE2 LYS 14 -17.158 -7.323 -7.954 99 HE3 LYS 14 HE1 LYS 14 -15.834 -8.422 -8.324 100 HZ1 LYS 14 HZ1 LYS 14 -17.027 -9.215 -6.426 101 HZ2 LYS 14 HZ2 LYS 14 -16.857 -7.737 -5.624 102 HZ3 LYS 14 HZ3 LYS 14 -15.500 -8.699 -5.917 103 H MET 15 HN MET 15 -13.682 -1.751 -8.969 104 HA MET 15 HA MET 15 -13.784 -3.679 -11.194 105 HB2 MET 15 HB2 MET 15 -14.927 -1.607 -11.803 106 HB3 MET 15 HB1 MET 15 -13.518 -0.668 -11.328 107 HG2 MET 15 HG2 MET 15 -12.216 -1.668 -13.104 108 HG3 MET 15 HG1 MET 15 -13.575 -2.693 -13.552 109 HE1 MET 15 HE1 MET 15 -11.924 -0.757 -15.557 110 HE2 MET 15 HE2 MET 15 -13.256 -0.137 -16.532 111 HE3 MET 15 HE3 MET 15 -13.219 -1.838 -16.067 112 H GLY 16 HN GLY 16 -11.887 -4.507 -11.803 113 HA2 GLY 16 HA2 GLY 16 -9.546 -4.539 -12.129 114 HA3 GLY 16 HA1 GLY 16 -9.404 -3.142 -11.066 115 H GLY 17 HN GLY 17 -11.307 -5.967 -10.341 116 HA2 GLY 17 HA2 GLY 17 -10.718 -7.768 -8.905 117 HA3 GLY 17 HA1 GLY 17 -9.338 -6.831 -8.344 118 HA PRO 18 HA PRO 18 -13.196 -6.464 -5.477 119 HB2 PRO 18 HB2 PRO 18 -11.966 -7.741 -3.354 120 HB3 PRO 18 HB1 PRO 18 -13.133 -8.496 -4.442 121 HG2 PRO 18 HG2 PRO 18 -10.147 -8.626 -4.476 122 HG3 PRO 18 HG1 PRO 18 -11.330 -9.908 -4.797 123 HD2 PRO 18 HD2 PRO 18 -10.036 -8.675 -6.793 124 HD3 PRO 18 HD1 PRO 18 -11.735 -9.165 -6.959 125 H THR 19 HN THR 19 -13.233 -4.639 -4.300 126 HA THR 19 HA THR 19 -10.758 -3.198 -3.981 127 HB THR 19 HB THR 19 -12.340 -1.412 -3.037 128 HG1 THR 19 HG1 THR 19 -14.584 -1.929 -3.989 129 HG21 THR 19 HG21 THR 19 -12.714 -2.403 -5.866 130 HG22 THR 19 HG22 THR 19 -11.448 -1.313 -5.301 131 HG23 THR 19 HG23 THR 19 -13.133 -0.792 -5.285 132 H VAL 20 HN VAL 20 -9.773 -2.632 -2.138 133 HA VAL 20 HA VAL 20 -10.818 -3.787 0.356 134 HB VAL 20 HB VAL 20 -7.943 -3.304 -0.281 135 HG11 VAL 20 HG11 VAL 20 -8.450 -3.302 2.091 136 HG12 VAL 20 HG12 VAL 20 -7.515 -4.734 1.661 137 HG13 VAL 20 HG13 VAL 20 -9.252 -4.864 1.930 138 HG21 VAL 20 HG21 VAL 20 -7.715 -5.726 -0.590 139 HG22 VAL 20 HG22 VAL 20 -8.785 -5.005 -1.794 140 HG23 VAL 20 HG23 VAL 20 -9.464 -5.895 -0.430 141 H LEU 21 HN LEU 21 -11.337 -2.323 1.857 142 HA LEU 21 HA LEU 21 -10.657 0.435 1.567 143 HB2 LEU 21 HB2 LEU 21 -12.720 -0.417 2.686 144 HB3 LEU 21 HB1 LEU 21 -11.724 -0.980 4.001 145 HG LEU 21 HG LEU 21 -12.995 1.271 4.166 146 HD11 LEU 21 HD11 LEU 21 -10.131 1.022 4.981 147 HD12 LEU 21 HD12 LEU 21 -11.518 0.369 5.850 148 HD13 LEU 21 HD13 LEU 21 -11.319 2.115 5.692 149 HD21 LEU 21 HD21 LEU 21 -11.674 3.213 3.543 150 HD22 LEU 21 HD22 LEU 21 -12.162 2.280 2.129 151 HD23 LEU 21 HD23 LEU 21 -10.513 2.157 2.741 152 H VAL 22 HN VAL 22 -8.927 1.466 2.278 153 HA VAL 22 HA VAL 22 -7.016 -0.104 3.863 154 HB VAL 22 HB VAL 22 -6.443 2.171 1.958 155 HG11 VAL 22 HG11 VAL 22 -4.539 0.381 3.467 156 HG12 VAL 22 HG12 VAL 22 -4.870 2.072 3.844 157 HG13 VAL 22 HG13 VAL 22 -4.094 1.644 2.320 158 HG21 VAL 22 HG21 VAL 22 -7.112 0.142 0.791 159 HG22 VAL 22 HG22 VAL 22 -5.920 -0.787 1.700 160 HG23 VAL 22 HG23 VAL 22 -5.390 0.453 0.564 161 H LYS 23 HN LYS 23 -6.869 0.467 5.865 162 HA LYS 23 HA LYS 23 -7.505 3.205 6.669 163 HB2 LYS 23 HB2 LYS 23 -6.946 0.805 8.420 164 HB3 LYS 23 HB1 LYS 23 -7.705 2.319 8.902 165 HG2 LYS 23 HG2 LYS 23 -9.618 1.812 7.468 166 HG3 LYS 23 HG1 LYS 23 -8.853 0.301 6.983 167 HD2 LYS 23 HD2 LYS 23 -8.886 -0.441 9.333 168 HD3 LYS 23 HD1 LYS 23 -9.732 1.044 9.771 169 HE2 LYS 23 HE2 LYS 23 -11.580 0.428 8.296 170 HE3 LYS 23 HE1 LYS 23 -10.728 -1.046 7.838 171 HZ1 LYS 23 HZ1 LYS 23 -10.832 -1.760 10.158 172 HZ2 LYS 23 HZ2 LYS 23 -12.374 -1.516 9.518 173 HZ3 LYS 23 HZ3 LYS 23 -11.701 -0.368 10.561 174 H ARG 24 HN ARG 24 -4.907 0.952 6.320 175 HA ARG 24 HA ARG 24 -2.935 2.970 6.646 176 HB2 ARG 24 HB2 ARG 24 -1.760 1.947 8.585 177 HB3 ARG 24 HB1 ARG 24 -3.320 2.636 9.012 178 HG2 ARG 24 HG2 ARG 24 -4.317 0.408 8.984 179 HG3 ARG 24 HG1 ARG 24 -2.757 -0.284 8.544 180 HD2 ARG 24 HD2 ARG 24 -3.217 -0.516 10.935 181 HD3 ARG 24 HD1 ARG 24 -1.799 0.482 10.634 182 HE ARG 24 HE ARG 24 -3.574 2.378 10.890 183 HH11 ARG 24 HH11 ARG 24 -3.370 -0.582 12.745 184 HH12 ARG 24 HH12 ARG 24 -4.013 0.129 14.188 185 HH21 ARG 24 HH21 ARG 24 -4.434 3.314 12.784 186 HH22 ARG 24 HH22 ARG 24 -4.627 2.346 14.208 187 H PHE 25 HN PHE 25 -0.755 2.122 6.341 188 HA PHE 25 HA PHE 25 -0.761 -0.400 4.820 189 HB2 PHE 25 HB2 PHE 25 0.990 2.061 4.574 190 HB3 PHE 25 HB1 PHE 25 1.325 0.547 3.745 191 HD1 PHE 25 HD1 PHE 25 -1.384 3.070 4.154 192 HD2 PHE 25 HD2 PHE 25 0.518 0.239 1.621 193 HE1 PHE 25 HE1 PHE 25 -2.820 3.775 2.294 194 HE2 PHE 25 HE2 PHE 25 -0.914 0.938 -0.246 195 HZ PHE 25 HZ PHE 25 -2.589 2.710 0.084 196 H GLN 26 HN GLN 26 0.628 -1.976 5.392 197 HA GLN 26 HA GLN 26 2.476 -1.418 7.623 198 HB2 GLN 26 HB2 GLN 26 0.717 -2.960 8.290 199 HB3 GLN 26 HB1 GLN 26 1.030 -3.974 6.889 200 HG2 GLN 26 HG2 GLN 26 1.962 -4.976 8.876 201 HG3 GLN 26 HG1 GLN 26 3.245 -4.508 7.768 202 HE21 GLN 26 HE21 GLN 26 1.562 -2.166 9.723 203 HE22 GLN 26 HE22 GLN 26 2.879 -1.815 10.779 204 H LEU 27 HN LEU 27 4.596 -1.744 7.251 205 HA LEU 27 HA LEU 27 5.297 -2.924 4.652 206 HB2 LEU 27 HB2 LEU 27 6.708 -0.954 6.437 207 HB3 LEU 27 HB1 LEU 27 7.554 -1.802 5.161 208 HG LEU 27 HG LEU 27 6.952 0.402 4.403 209 HD11 LEU 27 HD11 LEU 27 5.630 -0.159 2.407 210 HD12 LEU 27 HD12 LEU 27 5.260 -1.726 3.121 211 HD13 LEU 27 HD13 LEU 27 6.926 -1.310 2.721 212 HD21 LEU 27 HD21 LEU 27 4.642 1.139 4.198 213 HD22 LEU 27 HD22 LEU 27 5.067 0.828 5.882 214 HD23 LEU 27 HD23 LEU 27 4.094 -0.340 4.987 215 H SER 28 HN SER 28 6.325 -4.787 4.561 216 HA SER 28 HA SER 28 7.416 -5.881 7.068 217 HB2 SER 28 HB2 SER 28 5.403 -7.069 6.242 218 HB3 SER 28 HB1 SER 28 6.226 -7.373 4.714 219 HG SER 28 HG SER 28 7.287 -8.955 5.601 220 H GLY 29 HN GLY 29 9.568 -6.044 7.074 221 HA2 GLY 29 HA2 GLY 29 11.572 -7.015 6.227 222 HA3 GLY 29 HA1 GLY 29 10.914 -6.886 4.604 223 H ASN 30 HN ASN 30 10.225 -4.030 6.071 224 HA ASN 30 HA ASN 30 12.324 -2.668 4.653 225 HB2 ASN 30 HB2 ASN 30 11.173 -0.607 5.398 226 HB3 ASN 30 HB1 ASN 30 10.094 -1.729 4.581 227 HD21 ASN 30 HD21 ASN 30 9.611 0.445 6.541 228 HD22 ASN 30 HD22 ASN 30 8.679 -0.289 7.804 229 H ARG 31 HN ARG 31 14.195 -2.081 5.447 230 HA ARG 31 HA ARG 31 14.425 -1.599 8.344 231 HB2 ARG 31 HB2 ARG 31 16.367 -3.057 6.551 232 HB3 ARG 31 HB1 ARG 31 16.787 -2.471 8.153 233 HG2 ARG 31 HG2 ARG 31 14.668 -4.507 7.501 234 HG3 ARG 31 HG1 ARG 31 16.245 -4.827 8.223 235 HD2 ARG 31 HD2 ARG 31 13.972 -3.256 9.425 236 HD3 ARG 31 HD1 ARG 31 14.584 -4.819 9.960 237 HE ARG 31 HE ARG 31 16.704 -3.598 10.488 238 HH11 ARG 31 HH11 ARG 31 13.630 -1.928 10.426 239 HH12 ARG 31 HH12 ARG 31 14.130 -0.691 11.533 240 HH21 ARG 31 HH21 ARG 31 17.373 -1.969 11.941 241 HH22 ARG 31 HH22 ARG 31 16.264 -0.711 12.389 242 H GLN 32 HN GLN 32 15.464 -0.839 5.088 243 HA GLN 32 HA GLN 32 17.326 1.186 5.811 244 HB2 GLN 32 HB2 GLN 32 15.815 0.714 3.238 245 HB3 GLN 32 HB1 GLN 32 17.123 1.871 3.421 246 HG2 GLN 32 HG2 GLN 32 17.320 -1.112 3.760 247 HG3 GLN 32 HG1 GLN 32 17.929 -0.166 2.401 248 HE21 GLN 32 HE21 GLN 32 19.324 -1.925 4.296 249 HE22 GLN 32 HE22 GLN 32 20.567 -0.953 5.004 250 H PHE 33 HN PHE 33 13.885 1.132 5.202 251 HA PHE 33 HA PHE 33 13.716 3.831 6.329 252 HB2 PHE 33 HB2 PHE 33 12.152 2.877 3.914 253 HB3 PHE 33 HB1 PHE 33 11.911 4.407 4.745 254 HD1 PHE 33 HD2 PHE 33 13.806 6.079 4.766 255 HD2 PHE 33 HD1 PHE 33 13.762 2.666 2.223 256 HE1 PHE 33 HE2 PHE 33 15.492 7.137 3.321 257 HE2 PHE 33 HE1 PHE 33 15.449 3.719 0.777 258 HZ PHE 33 HZ PHE 33 16.317 5.956 1.326 259 H ASP 34 HN ASP 34 11.979 4.135 7.691 260 HA ASP 34 HA ASP 34 10.779 1.714 8.699 261 HB2 ASP 34 HB2 ASP 34 9.882 3.112 10.480 262 HB3 ASP 34 HB1 ASP 34 11.588 3.470 10.240 263 H ASP 35 HN ASP 35 8.367 1.861 9.339 264 HA ASP 35 HA ASP 35 6.893 1.685 6.990 265 HB2 ASP 35 HB2 ASP 35 5.944 2.023 9.832 266 HB3 ASP 35 HB1 ASP 35 4.860 1.722 8.486 267 H ARG 36 HN ARG 36 6.753 4.259 9.446 268 HA ARG 36 HA ARG 36 4.786 5.781 8.177 269 HB2 ARG 36 HB2 ARG 36 5.623 6.021 10.559 270 HB3 ARG 36 HB1 ARG 36 6.973 6.937 9.899 271 HG2 ARG 36 HG2 ARG 36 5.441 8.580 8.987 272 HG3 ARG 36 HG1 ARG 36 4.065 7.648 9.575 273 HD2 ARG 36 HD2 ARG 36 4.998 7.930 11.890 274 HD3 ARG 36 HD1 ARG 36 6.166 9.060 11.205 275 HE ARG 36 HE ARG 36 3.457 9.703 10.524 276 HH11 ARG 36 HH11 ARG 36 5.932 10.085 12.974 277 HH12 ARG 36 HH12 ARG 36 5.188 11.486 13.677 278 HH21 ARG 36 HH21 ARG 36 2.494 11.544 11.434 279 HH22 ARG 36 HH22 ARG 36 3.242 12.325 12.795 280 H ARG 37 HN ARG 37 8.259 5.695 7.745 281 HA ARG 37 HA ARG 37 8.508 7.988 6.118 282 HB2 ARG 37 HB2 ARG 37 10.443 6.871 7.131 283 HB3 ARG 37 HB1 ARG 37 10.162 5.455 6.129 284 HG2 ARG 37 HG2 ARG 37 11.982 6.796 5.247 285 HG3 ARG 37 HG1 ARG 37 10.621 6.773 4.126 286 HD2 ARG 37 HD2 ARG 37 9.922 8.966 4.882 287 HD3 ARG 37 HD1 ARG 37 11.207 8.987 6.087 288 HE ARG 37 HE ARG 37 12.735 8.826 4.042 289 HH11 ARG 37 HH11 ARG 37 9.665 10.511 4.098 290 HH12 ARG 37 HH12 ARG 37 10.109 11.624 2.844 291 HH21 ARG 37 HH21 ARG 37 13.328 10.309 2.402 292 HH22 ARG 37 HH22 ARG 37 12.192 11.516 1.885 293 H LEU 38 HN LEU 38 7.859 4.588 5.348 294 HA LEU 38 HA LEU 38 7.735 5.107 2.524 295 HB2 LEU 38 HB2 LEU 38 7.173 2.701 4.223 296 HB3 LEU 38 HB1 LEU 38 6.717 2.722 2.534 297 HG LEU 38 HG LEU 38 8.760 2.058 1.967 298 HD11 LEU 38 HD11 LEU 38 10.756 3.435 2.380 299 HD12 LEU 38 HD12 LEU 38 9.797 4.466 3.441 300 HD13 LEU 38 HD13 LEU 38 9.403 4.356 1.723 301 HD21 LEU 38 HD21 LEU 38 9.411 2.263 4.896 302 HD22 LEU 38 HD22 LEU 38 10.429 1.480 3.687 303 HD23 LEU 38 HD23 LEU 38 8.824 0.841 4.031 304 H LEU 39 HN LEU 39 5.514 5.054 5.167 305 HA LEU 39 HA LEU 39 3.070 4.788 3.831 306 HB2 LEU 39 HB2 LEU 39 3.998 5.877 6.407 307 HB3 LEU 39 HB1 LEU 39 2.463 6.500 5.848 308 HG LEU 39 HG LEU 39 1.400 4.434 6.044 309 HD11 LEU 39 HD11 LEU 39 4.118 3.134 6.134 310 HD12 LEU 39 HD12 LEU 39 2.974 3.075 4.794 311 HD13 LEU 39 HD13 LEU 39 2.578 2.299 6.326 312 HD21 LEU 39 HD21 LEU 39 2.136 5.444 8.213 313 HD22 LEU 39 HD22 LEU 39 3.479 4.295 8.216 314 HD23 LEU 39 HD23 LEU 39 1.816 3.710 8.270 315 H ALA 40 HN ALA 40 5.189 7.527 4.228 316 HA ALA 40 HA ALA 40 3.495 9.577 3.344 317 HB1 ALA 40 HB1 ALA 40 6.476 9.317 2.948 318 HB2 ALA 40 HB2 ALA 40 5.676 9.984 4.371 319 HB3 ALA 40 HB3 ALA 40 5.539 10.805 2.817 320 H LEU 41 HN LEU 41 5.075 7.038 1.589 321 HA LEU 41 HA LEU 41 4.789 8.224 -1.002 322 HB2 LEU 41 HB2 LEU 41 5.308 5.423 -0.038 323 HB3 LEU 41 HB1 LEU 41 5.098 5.790 -1.740 324 HG LEU 41 HG LEU 41 7.101 7.443 -0.336 325 HD11 LEU 41 HD11 LEU 41 7.430 5.193 0.666 326 HD12 LEU 41 HD12 LEU 41 8.790 5.736 -0.314 327 HD13 LEU 41 HD13 LEU 41 7.657 4.552 -0.957 328 HD21 LEU 41 HD21 LEU 41 7.135 5.883 -2.919 329 HD22 LEU 41 HD22 LEU 41 8.294 7.118 -2.415 330 HD23 LEU 41 HD23 LEU 41 6.623 7.565 -2.756 331 H LEU 42 HN LEU 42 2.747 6.503 1.167 332 HA LEU 42 HA LEU 42 0.735 6.110 -0.946 333 HB2 LEU 42 HB2 LEU 42 0.832 4.887 1.812 334 HB3 LEU 42 HB1 LEU 42 -0.380 4.565 0.594 335 HG LEU 42 HG LEU 42 0.854 2.736 0.209 336 HD11 LEU 42 HD11 LEU 42 2.642 4.722 -1.170 337 HD12 LEU 42 HD12 LEU 42 1.182 3.987 -1.837 338 HD13 LEU 42 HD13 LEU 42 2.591 2.986 -1.481 339 HD21 LEU 42 HD21 LEU 42 3.335 4.118 1.192 340 HD22 LEU 42 HD22 LEU 42 3.115 2.394 0.890 341 HD23 LEU 42 HD23 LEU 42 2.232 3.177 2.195 342 H HIS 43 HN HIS 43 1.509 8.525 0.755 343 HA HIS 43 HA HIS 43 -0.261 9.021 2.811 344 HB2 HIS 43 HB2 HIS 43 0.457 11.275 2.720 345 HB3 HIS 43 HB1 HIS 43 1.811 10.324 2.139 346 HD1 HIS 43 HD1 HIS 43 -0.401 13.086 1.191 347 HD2 HIS 43 HD2 HIS 43 2.155 10.445 -0.746 348 HE1 HIS 43 HE1 HIS 43 -0.003 14.076 -1.083 349 HE2 HIS 43 HE2 HIS 43 1.621 12.513 -2.202 350 H ASP 44 HN ASP 44 -0.994 8.984 -0.545 351 HA ASP 44 HA ASP 44 -3.428 10.581 -0.112 352 HB2 ASP 44 HB2 ASP 44 -3.424 10.897 -2.576 353 HB3 ASP 44 HB1 ASP 44 -1.979 11.536 -1.800 354 H LEU 45 HN LEU 45 -2.773 7.507 0.147 355 HA LEU 45 HA LEU 45 -4.736 6.532 -1.793 356 HB2 LEU 45 HB2 LEU 45 -2.679 5.043 -0.187 357 HB3 LEU 45 HB1 LEU 45 -3.863 4.268 -1.218 358 HG LEU 45 HG LEU 45 -1.703 6.172 -2.128 359 HD11 LEU 45 HD11 LEU 45 -0.738 4.221 -3.195 360 HD12 LEU 45 HD12 LEU 45 -2.038 3.211 -2.562 361 HD13 LEU 45 HD13 LEU 45 -0.886 3.959 -1.456 362 HD21 LEU 45 HD21 LEU 45 -3.692 6.409 -3.499 363 HD22 LEU 45 HD22 LEU 45 -3.787 4.660 -3.700 364 HD23 LEU 45 HD23 LEU 45 -2.435 5.555 -4.393 365 HA PRO 46 HA PRO 46 -6.314 4.292 2.087 366 HB2 PRO 46 HB2 PRO 46 -5.674 5.179 4.564 367 HB3 PRO 46 HB1 PRO 46 -4.746 3.961 3.695 368 HG2 PRO 46 HG2 PRO 46 -4.154 6.840 4.108 369 HG3 PRO 46 HG1 PRO 46 -3.052 5.455 4.006 370 HD2 PRO 46 HD2 PRO 46 -3.523 7.250 1.958 371 HD3 PRO 46 HD1 PRO 46 -2.889 5.611 1.742 372 H GLY 47 HN GLY 47 -8.032 4.697 3.704 373 HA2 GLY 47 HA2 GLY 47 -9.773 6.081 4.513 374 HA3 GLY 47 HA1 GLY 47 -9.143 7.407 3.538 375 H GLN 48 HN GLN 48 -8.826 5.556 1.245 376 HA GLN 48 HA GLN 48 -11.638 5.402 0.408 377 HB2 GLN 48 HB2 GLN 48 -9.095 5.686 -1.196 378 HB3 GLN 48 HB1 GLN 48 -10.660 5.346 -1.917 379 HG2 GLN 48 HG2 GLN 48 -11.523 7.454 -1.073 380 HG3 GLN 48 HG1 GLN 48 -9.976 7.783 -0.300 381 HE21 GLN 48 HE21 GLN 48 -9.723 9.688 -1.484 382 HE22 GLN 48 HE22 GLN 48 -9.303 9.668 -3.158 383 H GLU 49 HN GLU 49 -12.012 3.661 -1.253 384 HA GLU 49 HA GLU 49 -10.796 1.179 -0.303 385 HB2 GLU 49 HB2 GLU 49 -13.331 1.729 -1.849 386 HB3 GLU 49 HB1 GLU 49 -12.703 0.105 -1.581 387 HG2 GLU 49 HG2 GLU 49 -12.865 0.422 0.825 388 HG3 GLU 49 HG1 GLU 49 -13.453 2.062 0.579 389 H LEU 50 HN LEU 50 -9.146 0.475 -1.378 390 HA LEU 50 HA LEU 50 -8.707 1.362 -4.133 391 HB2 LEU 50 HB2 LEU 50 -6.880 0.167 -2.049 392 HB3 LEU 50 HB1 LEU 50 -6.375 0.496 -3.696 393 HG LEU 50 HG LEU 50 -5.545 2.292 -2.451 394 HD11 LEU 50 HD11 LEU 50 -6.770 4.249 -3.195 395 HD12 LEU 50 HD12 LEU 50 -8.175 3.247 -3.552 396 HD13 LEU 50 HD13 LEU 50 -6.684 3.031 -4.469 397 HD21 LEU 50 HD21 LEU 50 -6.868 3.598 -0.851 398 HD22 LEU 50 HD22 LEU 50 -6.707 1.908 -0.374 399 HD23 LEU 50 HD23 LEU 50 -8.217 2.486 -1.079 400 H ASN 51 HN ASN 51 -8.443 -0.056 -5.821 401 HA ASN 51 HA ASN 51 -9.357 -2.776 -5.368 402 HB2 ASN 51 HB2 ASN 51 -9.306 -2.996 -7.839 403 HB3 ASN 51 HB1 ASN 51 -10.278 -1.632 -7.307 404 HD21 ASN 51 HD21 ASN 51 -10.091 -0.698 -9.358 405 HD22 ASN 51 HD22 ASN 51 -8.632 0.092 -9.864 406 H LEU 52 HN LEU 52 -8.117 -4.534 -6.705 407 HA LEU 52 HA LEU 52 -5.699 -5.009 -5.468 408 HB2 LEU 52 HB2 LEU 52 -7.078 -6.124 -7.835 409 HB3 LEU 52 HB1 LEU 52 -5.358 -6.441 -7.737 410 HG LEU 52 HG LEU 52 -6.720 -8.269 -6.808 411 HD11 LEU 52 HD11 LEU 52 -5.053 -6.819 -4.760 412 HD12 LEU 52 HD12 LEU 52 -4.453 -7.920 -5.999 413 HD13 LEU 52 HD13 LEU 52 -5.497 -8.525 -4.714 414 HD21 LEU 52 HD21 LEU 52 -8.589 -6.952 -5.958 415 HD22 LEU 52 HD22 LEU 52 -7.540 -6.243 -4.731 416 HD23 LEU 52 HD23 LEU 52 -7.899 -7.969 -4.694 417 H SER 53 HN SER 53 -6.232 -3.590 -8.676 418 HA SER 53 HA SER 53 -3.596 -3.364 -9.506 419 HB2 SER 53 HB2 SER 53 -5.859 -1.424 -10.039 420 HB3 SER 53 HB1 SER 53 -4.400 -1.618 -11.011 421 HG SER 53 HG SER 53 -6.154 -2.777 -11.903 422 H GLN 54 HN GLN 54 -5.551 -0.990 -7.725 423 HA GLN 54 HA GLN 54 -3.468 0.905 -7.427 424 HB2 GLN 54 HB2 GLN 54 -6.099 0.484 -6.021 425 HB3 GLN 54 HB1 GLN 54 -5.022 1.806 -5.600 426 HG2 GLN 54 HG2 GLN 54 -5.161 2.667 -7.865 427 HG3 GLN 54 HG1 GLN 54 -6.184 1.311 -8.331 428 HE21 GLN 54 HE21 GLN 54 -8.316 1.268 -7.680 429 HE22 GLN 54 HE22 GLN 54 -9.117 2.651 -7.023 430 H LEU 55 HN LEU 55 -4.472 -1.871 -5.553 431 HA LEU 55 HA LEU 55 -3.123 -1.324 -3.160 432 HB2 LEU 55 HB2 LEU 55 -3.666 -3.991 -4.463 433 HB3 LEU 55 HB1 LEU 55 -3.150 -3.781 -2.809 434 HG LEU 55 HG LEU 55 -5.771 -2.867 -3.986 435 HD11 LEU 55 HD11 LEU 55 -5.170 -4.963 -1.909 436 HD12 LEU 55 HD12 LEU 55 -5.555 -5.291 -3.595 437 HD13 LEU 55 HD13 LEU 55 -6.756 -4.534 -2.548 438 HD21 LEU 55 HD21 LEU 55 -6.361 -2.234 -1.691 439 HD22 LEU 55 HD22 LEU 55 -5.016 -1.278 -2.311 440 HD23 LEU 55 HD23 LEU 55 -4.712 -2.592 -1.176 441 H HIS 56 HN HIS 56 -2.000 -3.279 -5.951 442 HA HIS 56 HA HIS 56 0.610 -3.505 -4.777 443 HB2 HIS 56 HB2 HIS 56 1.287 -4.685 -6.786 444 HB3 HIS 56 HB1 HIS 56 -0.229 -5.317 -6.174 445 HD1 HIS 56 HD1 HIS 56 1.191 -3.320 -9.032 446 HD2 HIS 56 HD2 HIS 56 -2.330 -5.237 -7.938 447 HE1 HIS 56 HE1 HIS 56 -0.224 -3.364 -11.108 448 HE2 HIS 56 HE2 HIS 56 -2.233 -4.743 -10.479 449 H ALA 57 HN ALA 57 -0.913 -1.290 -6.927 450 HA ALA 57 HA ALA 57 1.337 -0.064 -8.071 451 HB1 ALA 57 HB1 ALA 57 -1.240 1.256 -7.211 452 HB2 ALA 57 HB2 ALA 57 -0.972 0.440 -8.751 453 HB3 ALA 57 HB3 ALA 57 -0.069 1.903 -8.360 454 H ALA 58 HN ALA 58 -0.132 0.226 -4.907 455 HA ALA 58 HA ALA 58 1.288 2.428 -3.917 456 HB1 ALA 58 HB1 ALA 58 0.308 -0.007 -2.426 457 HB2 ALA 58 HB2 ALA 58 -0.637 1.441 -2.775 458 HB3 ALA 58 HB3 ALA 58 0.760 1.536 -1.702 459 H ALA 59 HN ALA 59 2.093 -0.996 -4.080 460 HA ALA 59 HA ALA 59 4.486 -0.853 -2.571 461 HB1 ALA 59 HB1 ALA 59 4.967 -3.060 -3.505 462 HB2 ALA 59 HB2 ALA 59 3.657 -2.859 -4.668 463 HB3 ALA 59 HB3 ALA 59 3.299 -2.954 -2.944 464 H ALA 60 HN ALA 60 3.719 -0.436 -5.964 465 HA ALA 60 HA ALA 60 6.333 -0.472 -6.988 466 HB1 ALA 60 HB1 ALA 60 5.402 0.645 -8.944 467 HB2 ALA 60 HB2 ALA 60 3.937 1.027 -8.040 468 HB3 ALA 60 HB3 ALA 60 4.339 -0.651 -8.400 469 H ARG 61 HN ARG 61 4.355 2.141 -5.683 470 HA ARG 61 HA ARG 61 6.001 4.322 -6.206 471 HB2 ARG 61 HB2 ARG 61 4.305 3.768 -3.763 472 HB3 ARG 61 HB1 ARG 61 5.015 5.327 -4.144 473 HG2 ARG 61 HG2 ARG 61 3.670 5.495 -6.143 474 HG3 ARG 61 HG1 ARG 61 3.018 3.879 -5.864 475 HD2 ARG 61 HD2 ARG 61 1.955 4.590 -3.838 476 HD3 ARG 61 HD1 ARG 61 2.742 6.162 -3.921 477 HE ARG 61 HE ARG 61 0.993 5.484 -6.144 478 HH11 ARG 61 HH11 ARG 61 1.415 7.130 -3.093 479 HH12 ARG 61 HH12 ARG 61 0.038 8.177 -3.309 480 HH21 ARG 61 HH21 ARG 61 -0.855 6.853 -6.424 481 HH22 ARG 61 HH22 ARG 61 -1.251 8.007 -5.185 482 H ILE 62 HN ILE 62 6.123 1.948 -3.616 483 HA ILE 62 HA ILE 62 8.239 3.291 -2.206 484 HB ILE 62 HB ILE 62 7.083 0.527 -1.848 485 HG12 ILE 62 HG12 ILE 62 6.557 3.088 -0.333 486 HG13 ILE 62 HG11 ILE 62 5.467 2.360 -1.510 487 HG21 ILE 62 HG21 ILE 62 9.307 0.628 -0.909 488 HG22 ILE 62 HG22 ILE 62 8.113 0.610 0.394 489 HG23 ILE 62 HG23 ILE 62 8.910 2.121 -0.056 490 HD11 ILE 62 HD11 ILE 62 5.103 0.480 -0.109 491 HD12 ILE 62 HD12 ILE 62 4.891 1.938 0.863 492 HD13 ILE 62 HD13 ILE 62 6.374 0.997 0.997 493 H GLY 63 HN GLY 63 7.923 0.525 -4.356 494 HA2 GLY 63 HA2 GLY 63 10.537 -0.457 -4.193 495 HA3 GLY 63 HA1 GLY 63 9.487 -0.596 -5.596 496 H ASP 64 HN ASP 64 9.148 2.013 -6.315 497 HA ASP 64 HA ASP 64 11.571 2.602 -7.680 498 HB2 ASP 64 HB2 ASP 64 9.303 3.152 -8.542 499 HB3 ASP 64 HB1 ASP 64 9.138 4.361 -7.275 500 H PHE 65 HN PHE 65 10.069 3.794 -4.752 501 HA PHE 65 HA PHE 65 11.587 6.077 -4.273 502 HB2 PHE 65 HB2 PHE 65 9.615 5.460 -2.944 503 HB3 PHE 65 HB1 PHE 65 10.483 4.084 -2.274 504 HD1 PHE 65 HD1 PHE 65 10.486 7.790 -2.442 505 HD2 PHE 65 HD2 PHE 65 11.783 4.316 -0.354 506 HE1 PHE 65 HE1 PHE 65 11.276 9.202 -0.590 507 HE2 PHE 65 HE2 PHE 65 12.578 5.723 1.500 508 HZ PHE 65 HZ PHE 65 12.326 8.167 1.384 509 H TYR 66 HN TYR 66 12.177 2.741 -3.196 510 HA TYR 66 HA TYR 66 14.632 3.190 -1.933 511 HB2 TYR 66 HB2 TYR 66 13.243 0.817 -3.069 512 HB3 TYR 66 HB1 TYR 66 14.957 0.663 -2.712 513 HD1 TYR 66 HD2 TYR 66 11.774 1.799 -1.091 514 HD2 TYR 66 HD1 TYR 66 15.599 0.002 -0.616 515 HE1 TYR 66 HE2 TYR 66 11.255 1.327 1.263 516 HE2 TYR 66 HE1 TYR 66 15.096 -0.472 1.735 517 HH TYR 66 HH TYR 66 13.622 -0.315 3.369 518 H GLN 67 HN GLN 67 13.872 2.421 -5.289 519 HA GLN 67 HA GLN 67 16.458 1.910 -6.212 520 HB2 GLN 67 HB2 GLN 67 14.159 3.152 -7.732 521 HB3 GLN 67 HB1 GLN 67 15.577 2.395 -8.448 522 HG2 GLN 67 HG2 GLN 67 14.937 0.259 -7.489 523 HG3 GLN 67 HG1 GLN 67 13.539 1.009 -6.724 524 HE21 GLN 67 HE21 GLN 67 13.141 2.726 -9.134 525 HE22 GLN 67 HE22 GLN 67 12.394 1.685 -10.295 526 H GLU 68 HN GLU 68 14.655 4.969 -6.041 527 HA GLU 68 HA GLU 68 16.708 6.513 -7.271 528 HB2 GLU 68 HB2 GLU 68 14.474 7.436 -5.460 529 HB3 GLU 68 HB1 GLU 68 15.458 8.467 -6.487 530 HG2 GLU 68 HG2 GLU 68 14.593 7.076 -8.432 531 HG3 GLU 68 HG1 GLU 68 13.401 6.447 -7.294 532 H LYS 69 HN LYS 69 16.337 5.240 -4.131 533 HA LYS 69 HA LYS 69 18.088 7.222 -2.913 534 HB2 LYS 69 HB2 LYS 69 16.794 4.755 -1.738 535 HB3 LYS 69 HB1 LYS 69 17.742 5.926 -0.834 536 HG2 LYS 69 HG2 LYS 69 15.167 6.512 -2.280 537 HG3 LYS 69 HG1 LYS 69 15.333 6.249 -0.544 538 HD2 LYS 69 HD2 LYS 69 16.780 8.208 -0.377 539 HD3 LYS 69 HD1 LYS 69 16.659 8.457 -2.119 540 HE2 LYS 69 HE2 LYS 69 14.222 8.754 -1.875 541 HE3 LYS 69 HE1 LYS 69 14.391 8.574 -0.134 542 HZ1 LYS 69 HZ1 LYS 69 14.282 10.907 -0.882 543 HZ2 LYS 69 HZ2 LYS 69 15.728 10.689 -1.727 544 HZ3 LYS 69 HZ3 LYS 69 15.707 10.553 -0.042 545 H GLY 70 HN GLY 70 18.600 4.744 -4.906 546 HA2 GLY 70 HA2 GLY 70 20.853 4.161 -5.463 547 HA3 GLY 70 HA1 GLY 70 21.273 4.294 -3.763 548 H TYR 71 HN TYR 71 18.519 2.768 -3.487 549 HA TYR 71 HA TYR 71 19.817 0.168 -3.367 550 HB2 TYR 71 HB2 TYR 71 17.034 0.919 -2.447 551 HB3 TYR 71 HB1 TYR 71 17.952 -0.515 -1.998 552 HD1 TYR 71 HD1 TYR 71 20.211 -0.074 -0.792 553 HD2 TYR 71 HD2 TYR 71 17.065 2.774 -1.050 554 HE1 TYR 71 HE1 TYR 71 21.109 1.083 1.171 555 HE2 TYR 71 HE2 TYR 71 17.959 3.945 0.917 556 HH TYR 71 HH TYR 71 19.361 3.528 2.828 557 H VAL 72 HN VAL 72 19.922 0.023 -5.694 558 HA VAL 72 HA VAL 72 17.544 0.084 -7.283 559 HB VAL 72 HB VAL 72 20.271 -0.968 -8.049 560 HG11 VAL 72 HG11 VAL 72 19.596 -0.446 -10.328 561 HG12 VAL 72 HG12 VAL 72 18.022 0.096 -9.749 562 HG13 VAL 72 HG13 VAL 72 18.482 -1.600 -9.593 563 HG21 VAL 72 HG21 VAL 72 20.721 1.267 -8.922 564 HG22 VAL 72 HG22 VAL 72 20.435 1.308 -7.182 565 HG23 VAL 72 HG23 VAL 72 19.171 1.828 -8.295 566 H LEU 73 HN LEU 73 19.337 -2.376 -5.607 567 HA LEU 73 HA LEU 73 18.081 -4.578 -6.967 568 HB2 LEU 73 HB2 LEU 73 20.294 -4.807 -5.921 569 HB3 LEU 73 HB1 LEU 73 19.588 -4.492 -4.349 570 HG LEU 73 HG LEU 73 18.250 -6.570 -4.565 571 HD11 LEU 73 HD11 LEU 73 18.162 -6.703 -6.995 572 HD12 LEU 73 HD12 LEU 73 18.824 -8.183 -6.303 573 HD13 LEU 73 HD13 LEU 73 19.900 -7.001 -7.050 574 HD21 LEU 73 HD21 LEU 73 20.359 -6.592 -3.358 575 HD22 LEU 73 HD22 LEU 73 21.231 -6.903 -4.859 576 HD23 LEU 73 HD23 LEU 73 20.121 -8.115 -4.216 577 H ALA 74 HN ALA 74 17.189 -2.391 -4.547 578 HA ALA 74 HA ALA 74 15.393 -4.154 -3.140 579 HB1 ALA 74 HB1 ALA 74 15.785 -1.174 -2.963 580 HB2 ALA 74 HB2 ALA 74 16.506 -2.392 -1.912 581 HB3 ALA 74 HB3 ALA 74 14.761 -2.130 -1.894 582 H ARG 75 HN ARG 75 13.267 -4.360 -3.395 583 HA ARG 75 HA ARG 75 11.734 -2.419 -4.908 584 HB2 ARG 75 HB2 ARG 75 12.619 -4.062 -6.602 585 HB3 ARG 75 HB1 ARG 75 11.737 -5.325 -5.755 586 HG2 ARG 75 HG2 ARG 75 10.425 -4.673 -7.615 587 HG3 ARG 75 HG1 ARG 75 9.643 -4.016 -6.176 588 HD2 ARG 75 HD2 ARG 75 10.827 -1.855 -6.633 589 HD3 ARG 75 HD1 ARG 75 11.359 -2.542 -8.166 590 HE ARG 75 HE ARG 75 8.542 -2.756 -7.887 591 HH11 ARG 75 HH11 ARG 75 11.096 -0.490 -8.694 592 HH12 ARG 75 HH12 ARG 75 10.041 0.576 -9.566 593 HH21 ARG 75 HH21 ARG 75 7.171 -1.376 -9.049 594 HH22 ARG 75 HH22 ARG 75 7.803 0.074 -9.766 595 H ALA 76 HN ALA 76 9.735 -2.236 -4.047 596 HA ALA 76 HA ALA 76 8.985 -4.135 -1.958 597 HB1 ALA 76 HB1 ALA 76 8.985 -1.745 -1.399 598 HB2 ALA 76 HB2 ALA 76 7.375 -2.450 -1.257 599 HB3 ALA 76 HB3 ALA 76 7.782 -1.458 -2.658 600 H PHE 77 HN PHE 77 7.261 -5.467 -2.112 601 HA PHE 77 HA PHE 77 5.416 -5.081 -4.359 602 HB2 PHE 77 HB2 PHE 77 5.481 -7.445 -4.929 603 HB3 PHE 77 HB1 PHE 77 7.100 -6.768 -5.039 604 HD1 PHE 77 HD1 PHE 77 8.802 -7.350 -3.381 605 HD2 PHE 77 HD2 PHE 77 4.936 -9.129 -3.320 606 HE1 PHE 77 HE1 PHE 77 9.644 -9.115 -1.891 607 HE2 PHE 77 HE2 PHE 77 5.772 -10.898 -1.826 608 HZ PHE 77 HZ PHE 77 8.113 -10.910 -1.126 609 H LEU 78 HN LEU 78 3.333 -5.910 -4.027 610 HA LEU 78 HA LEU 78 2.722 -6.438 -1.207 611 HB2 LEU 78 HB2 LEU 78 1.673 -4.462 -2.441 612 HB3 LEU 78 HB1 LEU 78 0.770 -5.644 -3.366 613 HG LEU 78 HG LEU 78 0.609 -5.532 -0.359 614 HD11 LEU 78 HD11 LEU 78 -1.423 -4.203 -0.621 615 HD12 LEU 78 HD12 LEU 78 -1.132 -4.090 -2.357 616 HD13 LEU 78 HD13 LEU 78 -0.010 -3.336 -1.222 617 HD21 LEU 78 HD21 LEU 78 -0.202 -7.571 -1.448 618 HD22 LEU 78 HD22 LEU 78 -1.264 -6.601 -2.469 619 HD23 LEU 78 HD23 LEU 78 -1.523 -6.653 -0.725 620 HA PRO 79 HA PRO 79 2.039 -10.634 -2.628 621 HB2 PRO 79 HB2 PRO 79 1.314 -11.633 -0.205 622 HB3 PRO 79 HB1 PRO 79 2.995 -11.335 -0.660 623 HG2 PRO 79 HG2 PRO 79 1.155 -9.655 0.994 624 HG3 PRO 79 HG1 PRO 79 2.865 -10.036 1.260 625 HD2 PRO 79 HD2 PRO 79 2.043 -7.682 0.214 626 HD3 PRO 79 HD1 PRO 79 3.584 -8.442 -0.239 627 H ALA 80 HN ALA 80 0.176 -9.775 -3.842 628 HA ALA 80 HA ALA 80 -2.391 -9.527 -2.663 629 HB1 ALA 80 HB1 ALA 80 -1.811 -8.471 -4.790 630 HB2 ALA 80 HB2 ALA 80 -3.222 -9.516 -4.958 631 HB3 ALA 80 HB3 ALA 80 -1.648 -10.061 -5.537 632 H GLN 81 HN GLN 81 -3.644 -11.077 -1.904 633 HA GLN 81 HA GLN 81 -4.183 -13.496 -3.258 634 HB2 GLN 81 HB2 GLN 81 -1.919 -14.045 -2.354 635 HB3 GLN 81 HB1 GLN 81 -2.544 -13.789 -0.731 636 HG2 GLN 81 HG2 GLN 81 -2.476 -16.139 -1.213 637 HG3 GLN 81 HG1 GLN 81 -4.152 -15.610 -1.081 638 HE21 GLN 81 HE21 GLN 81 -2.982 -17.926 -2.425 639 HE22 GLN 81 HE22 GLN 81 -3.487 -17.824 -4.074 640 H GLU 82 HN GLU 82 -3.966 -12.141 0.010 641 HA GLU 82 HA GLU 82 -6.859 -12.573 0.332 642 HB2 GLU 82 HB2 GLU 82 -5.702 -14.311 1.602 643 HB3 GLU 82 HB1 GLU 82 -4.694 -13.104 2.383 644 HG2 GLU 82 HG2 GLU 82 -6.344 -13.754 3.943 645 HG3 GLU 82 HG1 GLU 82 -6.769 -12.139 3.385 646 H ILE 83 HN ILE 83 -4.101 -11.119 2.042 647 HA ILE 83 HA ILE 83 -3.704 -9.063 2.893 648 HB ILE 83 HB ILE 83 -5.939 -8.123 1.109 649 HG12 ILE 83 HG12 ILE 83 -2.940 -8.096 0.703 650 HG13 ILE 83 HG11 ILE 83 -4.068 -9.167 -0.118 651 HG21 ILE 83 HG21 ILE 83 -4.990 -5.897 1.421 652 HG22 ILE 83 HG22 ILE 83 -3.771 -6.560 2.511 653 HG23 ILE 83 HG23 ILE 83 -5.473 -6.592 2.972 654 HD11 ILE 83 HD11 ILE 83 -5.130 -7.233 -1.165 655 HD12 ILE 83 HD12 ILE 83 -3.411 -7.330 -1.550 656 HD13 ILE 83 HD13 ILE 83 -3.984 -6.172 -0.349 657 H GLN 84 HN GLN 84 -4.216 -8.104 4.761 658 HA GLN 84 HA GLN 84 -6.584 -8.880 6.150 659 HB2 GLN 84 HB2 GLN 84 -4.599 -6.716 6.886 660 HB3 GLN 84 HB1 GLN 84 -5.753 -7.484 7.962 661 HG2 GLN 84 HG2 GLN 84 -3.831 -8.577 8.531 662 HG3 GLN 84 HG1 GLN 84 -4.482 -9.662 7.308 663 HE21 GLN 84 HE21 GLN 84 -3.395 -9.934 5.395 664 HE22 GLN 84 HE22 GLN 84 -1.827 -9.266 5.091 665 H ASP 85 HN ASP 85 -8.533 -7.993 5.766 666 HA ASP 85 HA ASP 85 -8.864 -5.686 4.187 667 HB2 ASP 85 HB2 ASP 85 -11.243 -5.856 4.683 668 HB3 ASP 85 HB1 ASP 85 -10.581 -7.445 4.333 669 H GLY 86 HN GLY 86 -8.240 -3.756 4.767 670 HA2 GLY 86 HA2 GLY 86 -8.892 -1.836 6.231 671 HA3 GLY 86 HA1 GLY 86 -8.604 -2.931 7.577 672 H THR 87 HN THR 87 -6.260 -4.175 6.623 673 HA THR 87 HA THR 87 -4.381 -1.919 6.442 674 HB THR 87 HB THR 87 -4.054 -4.391 8.148 675 HG1 THR 87 HG1 THR 87 -5.475 -2.484 8.818 676 HG21 THR 87 HG21 THR 87 -2.238 -2.016 7.735 677 HG22 THR 87 HG22 THR 87 -1.927 -3.681 7.251 678 HG23 THR 87 HG23 THR 87 -2.007 -3.262 8.962 679 H VAL 88 HN VAL 88 -3.199 -2.103 4.656 680 HA VAL 88 HA VAL 88 -2.905 -4.737 3.429 681 HB VAL 88 HB VAL 88 -2.129 -3.562 1.432 682 HG11 VAL 88 HG11 VAL 88 -4.510 -3.913 1.673 683 HG12 VAL 88 HG12 VAL 88 -4.215 -2.358 0.894 684 HG13 VAL 88 HG13 VAL 88 -4.663 -2.421 2.599 685 HG21 VAL 88 HG21 VAL 88 -2.565 -1.032 3.011 686 HG22 VAL 88 HG22 VAL 88 -2.123 -1.134 1.307 687 HG23 VAL 88 HG23 VAL 88 -0.999 -1.697 2.546 688 H ARG 89 HN ARG 89 -0.984 -5.785 3.321 689 HA ARG 89 HA ARG 89 1.269 -4.392 4.590 690 HB2 ARG 89 HB2 ARG 89 0.312 -6.380 5.804 691 HB3 ARG 89 HB1 ARG 89 0.869 -7.376 4.468 692 HG2 ARG 89 HG2 ARG 89 3.118 -6.968 4.945 693 HG3 ARG 89 HG1 ARG 89 2.736 -5.603 5.992 694 HD2 ARG 89 HD2 ARG 89 3.385 -7.580 7.273 695 HD3 ARG 89 HD1 ARG 89 1.727 -7.097 7.612 696 HE ARG 89 HE ARG 89 2.213 -9.220 5.651 697 HH11 ARG 89 HH11 ARG 89 0.988 -8.212 8.770 698 HH12 ARG 89 HH12 ARG 89 0.151 -9.699 9.066 699 HH21 ARG 89 HH21 ARG 89 1.109 -11.191 6.043 700 HH22 ARG 89 HH22 ARG 89 0.215 -11.391 7.516 701 H ILE 90 HN ILE 90 2.817 -3.846 3.317 702 HA ILE 90 HA ILE 90 3.206 -5.248 0.768 703 HB ILE 90 HB ILE 90 4.234 -2.563 1.710 704 HG12 ILE 90 HG12 ILE 90 2.089 -3.247 -0.313 705 HG13 ILE 90 HG11 ILE 90 1.800 -2.624 1.307 706 HG21 ILE 90 HG21 ILE 90 4.936 -2.236 -0.627 707 HG22 ILE 90 HG22 ILE 90 4.477 -3.903 -0.981 708 HG23 ILE 90 HG23 ILE 90 5.788 -3.570 0.151 709 HD11 ILE 90 HD11 ILE 90 1.592 -0.873 -0.352 710 HD12 ILE 90 HD12 ILE 90 3.236 -1.186 -0.910 711 HD13 ILE 90 HD13 ILE 90 2.960 -0.559 0.715 712 H GLU 91 HN GLU 91 5.016 -6.420 0.415 713 HA GLU 91 HA GLU 91 6.925 -6.590 2.614 714 HB2 GLU 91 HB2 GLU 91 6.457 -8.376 0.225 715 HB3 GLU 91 HB1 GLU 91 7.752 -8.619 1.387 716 HG2 GLU 91 HG2 GLU 91 6.018 -8.766 3.174 717 HG3 GLU 91 HG1 GLU 91 4.794 -8.729 1.908 718 H VAL 92 HN VAL 92 8.724 -5.521 2.533 719 HA VAL 92 HA VAL 92 9.570 -4.313 0.019 720 HB VAL 92 HB VAL 92 10.594 -3.829 2.825 721 HG11 VAL 92 HG11 VAL 92 11.624 -1.830 1.889 722 HG12 VAL 92 HG12 VAL 92 11.030 -2.262 0.285 723 HG13 VAL 92 HG13 VAL 92 12.224 -3.281 1.087 724 HG21 VAL 92 HG21 VAL 92 9.311 -1.717 2.678 725 HG22 VAL 92 HG22 VAL 92 8.287 -3.152 2.671 726 HG23 VAL 92 HG23 VAL 92 8.602 -2.287 1.167 727 H LEU 93 HN LEU 93 10.855 -5.563 -1.163 728 HA LEU 93 HA LEU 93 12.813 -7.298 0.108 729 HB2 LEU 93 HB2 LEU 93 11.534 -8.137 -1.811 730 HB3 LEU 93 HB1 LEU 93 12.150 -6.831 -2.804 731 HG LEU 93 HG LEU 93 14.448 -7.753 -2.495 732 HD11 LEU 93 HD11 LEU 93 14.695 -10.024 -1.665 733 HD12 LEU 93 HD12 LEU 93 12.979 -10.075 -1.260 734 HD13 LEU 93 HD13 LEU 93 14.054 -8.962 -0.413 735 HD21 LEU 93 HD21 LEU 93 14.134 -9.630 -4.042 736 HD22 LEU 93 HD22 LEU 93 13.168 -8.230 -4.505 737 HD23 LEU 93 HD23 LEU 93 12.403 -9.605 -3.710 738 H GLU 94 HN GLU 94 14.270 -5.847 1.002 739 HA GLU 94 HA GLU 94 15.380 -3.693 -0.537 740 HB2 GLU 94 HB2 GLU 94 16.345 -4.811 2.099 741 HB3 GLU 94 HB1 GLU 94 16.735 -3.237 1.417 742 HG2 GLU 94 HG2 GLU 94 14.352 -2.613 1.578 743 HG3 GLU 94 HG1 GLU 94 14.027 -4.164 2.348 744 H GLY 95 HN GLY 95 15.966 -6.989 -0.311 745 HA2 GLY 95 HA2 GLY 95 17.892 -7.103 -2.270 746 HA3 GLY 95 HA1 GLY 95 18.774 -7.042 -0.749
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