NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14155 | 1wft | 10008 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.651 2.909 -29.368 2 HA2 GLY 1 1HA GLY 1 13.515 3.528 -28.734 3 HA3 GLY 1 2HA GLY 1 13.091 2.055 -29.594 4 H SER 2 H SER 2 12.858 3.655 -26.697 5 HA SER 2 HA SER 2 12.885 1.340 -24.969 6 HB2 SER 2 1HB SER 2 12.124 4.229 -24.505 7 HB3 SER 2 2HB SER 2 12.047 2.992 -23.251 8 HG SER 2 HG SER 2 14.390 2.658 -24.075 9 H SER 3 H SER 3 11.258 0.294 -26.484 10 HA SER 3 HA SER 3 8.564 0.821 -25.438 11 HB2 SER 3 1HB SER 3 7.637 0.309 -27.701 12 HB3 SER 3 2HB SER 3 8.588 1.793 -27.656 13 HG SER 3 HG SER 3 9.076 0.410 -29.457 14 H GLY 4 H GLY 4 7.153 -1.009 -25.418 15 HA2 GLY 4 1HA GLY 4 6.660 -3.305 -25.607 16 HA3 GLY 4 2HA GLY 4 8.342 -3.610 -26.016 17 H SER 5 H SER 5 9.912 -3.631 -24.313 18 HA SER 5 HA SER 5 8.870 -4.819 -21.909 19 HB2 SER 5 1HB SER 5 10.959 -5.599 -23.083 20 HB3 SER 5 2HB SER 5 11.747 -4.121 -22.531 21 HG SER 5 HG SER 5 12.209 -5.503 -20.945 22 H SER 6 H SER 6 11.339 -2.276 -22.254 23 HA SER 6 HA SER 6 11.370 -1.211 -19.795 24 HB2 SER 6 1HB SER 6 11.292 0.400 -22.358 25 HB3 SER 6 2HB SER 6 11.879 0.991 -20.803 26 HG SER 6 HG SER 6 13.436 0.055 -22.441 27 H GLY 7 H GLY 7 9.745 -0.822 -18.441 28 HA2 GLY 7 1HA GLY 7 7.182 0.126 -19.444 29 HA3 GLY 7 2HA GLY 7 7.537 -0.379 -17.798 30 HA PRO 8 HA PRO 8 7.218 4.277 -17.995 31 HB2 PRO 8 1HB PRO 8 5.356 4.497 -16.031 32 HB3 PRO 8 2HB PRO 8 4.935 4.267 -17.732 33 HG2 PRO 8 1HG PRO 8 5.068 2.250 -15.523 34 HG3 PRO 8 2HG PRO 8 3.845 2.440 -16.793 35 HD2 PRO 8 1HD PRO 8 5.808 0.580 -16.927 36 HD3 PRO 8 2HD PRO 8 5.134 1.364 -18.371 37 H GLY 9 H GLY 9 8.591 5.457 -16.806 38 HA2 GLY 9 1HA GLY 9 10.249 4.462 -14.855 39 HA3 GLY 9 2HA GLY 9 9.880 6.170 -15.039 40 H ALA 10 H ALA 10 10.408 4.769 -12.585 41 HA ALA 10 HA ALA 10 7.986 4.243 -11.195 42 HB1 ALA 10 1HB ALA 10 9.651 4.704 -9.177 43 HB2 ALA 10 2HB ALA 10 9.711 3.217 -10.125 44 HB3 ALA 10 3HB ALA 10 10.846 4.525 -10.462 45 HA PRO 11 HA PRO 11 6.603 8.283 -10.157 46 HB2 PRO 11 1HB PRO 11 5.358 7.774 -7.799 47 HB3 PRO 11 2HB PRO 11 4.696 7.278 -9.361 48 HG2 PRO 11 1HG PRO 11 6.226 5.668 -7.354 49 HG3 PRO 11 2HG PRO 11 4.786 5.218 -8.286 50 HD2 PRO 11 1HD PRO 11 7.278 4.416 -8.978 51 HD3 PRO 11 2HD PRO 11 6.008 4.731 -10.179 52 H SER 12 H SER 12 7.196 10.064 -8.977 53 HA SER 12 HA SER 12 9.169 9.623 -6.831 54 HB2 SER 12 1HB SER 12 9.117 11.975 -8.733 55 HB3 SER 12 2HB SER 12 10.369 11.583 -7.554 56 HG SER 12 HG SER 12 10.237 9.458 -8.968 57 H THR 13 H THR 13 9.399 11.612 -5.399 58 HA THR 13 HA THR 13 8.487 12.994 -3.838 59 HB THR 13 HB THR 13 6.227 13.708 -5.660 60 HG1 THR 13 1HG THR 13 7.538 14.711 -7.063 61 HG21 THR 13 1HG2 THR 13 6.452 14.827 -3.493 62 HG22 THR 13 2HG2 THR 13 6.709 15.959 -4.820 63 HG23 THR 13 3HG2 THR 13 8.088 15.330 -3.918 64 H VAL 14 H VAL 14 7.824 10.426 -3.421 65 HA VAL 14 HA VAL 14 4.932 10.302 -2.986 66 HB VAL 14 HB VAL 14 7.053 8.177 -2.651 67 HG11 VAL 14 1HG1 VAL 14 4.264 7.330 -2.798 68 HG12 VAL 14 2HG1 VAL 14 5.550 6.817 -1.704 69 HG13 VAL 14 3HG1 VAL 14 4.635 8.286 -1.363 70 HG21 VAL 14 1HG2 VAL 14 4.927 7.800 -4.626 71 HG22 VAL 14 2HG2 VAL 14 6.003 9.152 -4.977 72 HG23 VAL 14 3HG2 VAL 14 6.664 7.531 -4.764 73 H ARG 15 H ARG 15 4.226 11.138 -1.138 74 HA ARG 15 HA ARG 15 5.807 10.663 1.304 75 HB2 ARG 15 1HB ARG 15 4.667 12.795 2.144 76 HB3 ARG 15 2HB ARG 15 5.951 12.982 0.958 77 HG2 ARG 15 1HG ARG 15 4.376 13.363 -0.795 78 HG3 ARG 15 2HG ARG 15 3.025 12.948 0.263 79 HD2 ARG 15 1HD ARG 15 3.999 14.901 1.728 80 HD3 ARG 15 2HD ARG 15 4.706 15.408 0.195 81 HE ARG 15 HE ARG 15 1.950 14.861 -0.124 82 HH11 ARG 15 2HH1 ARG 15 4.139 17.212 1.218 83 HH12 ARG 15 1HH1 ARG 15 3.033 18.535 1.040 84 HH21 ARG 15 2HH2 ARG 15 0.486 16.594 -0.363 85 HH22 ARG 15 1HH2 ARG 15 0.956 18.182 0.142 86 H ILE 16 H ILE 16 4.550 10.534 3.296 87 HA ILE 16 HA ILE 16 1.778 9.641 2.856 88 HB ILE 16 HB ILE 16 3.738 8.342 4.751 89 HG12 ILE 16 1HG1 ILE 16 2.602 7.268 2.161 90 HG13 ILE 16 2HG1 ILE 16 4.231 7.909 2.344 91 HG21 ILE 16 1HG2 ILE 16 1.103 7.193 3.943 92 HG22 ILE 16 2HG2 ILE 16 2.057 6.902 5.397 93 HG23 ILE 16 3HG2 ILE 16 1.176 8.418 5.210 94 HD11 ILE 16 1HD1 ILE 16 3.747 5.909 4.332 95 HD12 ILE 16 2HD1 ILE 16 3.369 5.279 2.729 96 HD13 ILE 16 3HD1 ILE 16 4.965 5.953 3.058 97 H SER 17 H SER 17 0.418 10.876 3.952 98 HA SER 17 HA SER 17 1.337 12.106 6.465 99 HB2 SER 17 1HB SER 17 -0.740 13.040 4.474 100 HB3 SER 17 2HB SER 17 -0.473 13.798 6.044 101 HG SER 17 HG SER 17 0.673 14.730 4.178 102 H LYS 18 H LYS 18 -0.053 12.143 8.254 103 HA LYS 18 HA LYS 18 -1.694 9.829 8.536 104 HB2 LYS 18 1HB LYS 18 -0.282 11.142 10.312 105 HB3 LYS 18 2HB LYS 18 -1.746 12.099 10.489 106 HG2 LYS 18 1HG LYS 18 -2.027 10.513 12.122 107 HG3 LYS 18 2HG LYS 18 -2.901 9.785 10.772 108 HD2 LYS 18 1HD LYS 18 -1.034 8.361 10.260 109 HD3 LYS 18 2HD LYS 18 -0.027 9.178 11.458 110 HE2 LYS 18 1HE LYS 18 -2.592 7.861 12.264 111 HE3 LYS 18 2HE LYS 18 -1.125 6.906 12.055 112 HZ1 LYS 18 1HZ LYS 18 -1.623 9.092 13.985 113 HZ2 LYS 18 2HZ LYS 18 -0.059 8.564 13.619 114 HZ3 LYS 18 3HZ LYS 18 -1.174 7.493 14.304 115 H ASN 19 H ASN 19 -3.841 9.601 8.346 116 HA ASN 19 HA ASN 19 -5.399 11.995 7.654 117 HB2 ASN 19 1HB ASN 19 -5.205 9.973 6.063 118 HB3 ASN 19 2HB ASN 19 -6.288 9.156 7.186 119 HD21 ASN 19 1HD2 ASN 19 -5.978 12.134 5.301 120 HD22 ASN 19 2HD2 ASN 19 -7.660 12.283 4.935 121 H VAL 20 H VAL 20 -7.783 11.809 8.265 122 HA VAL 20 HA VAL 20 -7.920 11.388 11.120 123 HB VAL 20 HB VAL 20 -10.094 12.299 9.230 124 HG11 VAL 20 1HG1 VAL 20 -9.850 12.311 12.229 125 HG12 VAL 20 2HG1 VAL 20 -11.022 13.297 11.353 126 HG13 VAL 20 3HG1 VAL 20 -11.089 11.537 11.241 127 HG21 VAL 20 1HG2 VAL 20 -8.025 13.831 10.786 128 HG22 VAL 20 2HG2 VAL 20 -8.348 13.883 9.053 129 HG23 VAL 20 3HG2 VAL 20 -9.510 14.571 10.187 130 H ASP 21 H ASP 21 -8.539 9.538 8.370 131 HA ASP 21 HA ASP 21 -10.198 7.682 9.945 132 HB2 ASP 21 1HB ASP 21 -11.560 8.709 8.192 133 HB3 ASP 21 2HB ASP 21 -10.380 8.230 6.975 134 H GLY 22 H GLY 22 -7.210 8.078 9.003 135 HA2 GLY 22 1HA GLY 22 -6.180 5.640 9.336 136 HA3 GLY 22 2HA GLY 22 -6.758 5.525 7.681 137 H ILE 23 H ILE 23 -5.167 5.775 6.275 138 HA ILE 23 HA ILE 23 -3.114 7.813 6.836 139 HB ILE 23 HB ILE 23 -2.685 5.187 5.407 140 HG12 ILE 23 1HG1 ILE 23 -1.684 6.114 8.108 141 HG13 ILE 23 2HG1 ILE 23 -2.983 4.952 7.856 142 HG21 ILE 23 1HG2 ILE 23 -0.986 6.284 4.460 143 HG22 ILE 23 2HG2 ILE 23 -1.149 7.655 5.556 144 HG23 ILE 23 3HG2 ILE 23 -0.227 6.235 6.051 145 HD11 ILE 23 1HD1 ILE 23 -1.160 3.673 6.490 146 HD12 ILE 23 2HD1 ILE 23 -0.053 4.638 7.466 147 HD13 ILE 23 3HD1 ILE 23 -1.213 3.565 8.249 148 H HIS 24 H HIS 24 -2.551 9.168 5.197 149 HA HIS 24 HA HIS 24 -4.114 8.926 2.717 150 HB2 HIS 24 1HB HIS 24 -4.373 10.975 4.229 151 HB3 HIS 24 2HB HIS 24 -2.755 11.429 3.705 152 HD1 HIS 24 1HD HIS 24 -6.289 11.262 2.554 153 HD2 HIS 24 2HD HIS 24 -2.562 12.270 1.018 154 HE1 HIS 24 1HE HIS 24 -6.754 12.443 0.384 155 HE2 HIS 24 2HE HIS 24 -4.482 12.968 -0.569 156 H LEU 25 H LEU 25 -2.843 7.775 1.354 157 HA LEU 25 HA LEU 25 -0.009 8.344 1.135 158 HB2 LEU 25 1HB LEU 25 -1.279 6.052 0.925 159 HB3 LEU 25 2HB LEU 25 -1.463 6.555 -0.754 160 HG LEU 25 HG LEU 25 1.157 6.890 -0.561 161 HD11 LEU 25 1HD1 LEU 25 0.822 6.081 1.936 162 HD12 LEU 25 2HD1 LEU 25 2.258 5.658 1.004 163 HD13 LEU 25 3HD1 LEU 25 0.945 4.493 1.176 164 HD21 LEU 25 1HD2 LEU 25 -0.476 4.460 -1.129 165 HD22 LEU 25 2HD2 LEU 25 1.284 4.345 -1.164 166 HD23 LEU 25 3HD2 LEU 25 0.453 5.478 -2.231 167 H SER 26 H SER 26 0.834 9.779 -0.214 168 HA SER 26 HA SER 26 -0.643 10.467 -2.662 169 HB2 SER 26 1HB SER 26 -0.137 12.823 -2.360 170 HB3 SER 26 2HB SER 26 -0.985 12.228 -0.934 171 HG SER 26 HG SER 26 1.026 12.082 0.120 172 H TRP 27 H TRP 27 0.615 11.043 -4.443 173 HA TRP 27 HA TRP 27 3.494 11.139 -4.223 174 HB2 TRP 27 1HB TRP 27 3.899 9.249 -5.738 175 HB3 TRP 27 2HB TRP 27 3.096 8.720 -4.262 176 HD1 TRP 27 HD TRP 27 2.581 8.991 -8.018 177 HE1 TRP 27 1HE TRP 27 0.432 7.728 -8.661 178 HE3 TRP 27 3HE TRP 27 0.760 8.047 -3.335 179 HZ2 TRP 27 2HZ TRP 27 -1.747 6.496 -7.357 180 HZ3 TRP 27 3HZ TRP 27 -1.362 6.821 -3.119 181 HH2 TRP 27 HH TRP 27 -2.589 6.063 -5.090 182 H GLU 28 H GLU 28 4.373 11.028 -6.676 183 HA GLU 28 HA GLU 28 2.584 12.696 -8.312 184 HB2 GLU 28 1HB GLU 28 5.485 13.146 -7.646 185 HB3 GLU 28 2HB GLU 28 4.740 13.866 -9.066 186 HG2 GLU 28 1HG GLU 28 4.024 14.330 -6.185 187 HG3 GLU 28 2HG GLU 28 4.714 15.482 -7.326 188 HA PRO 29 HA PRO 29 3.483 9.998 -11.655 189 HB2 PRO 29 1HB PRO 29 3.324 11.706 -13.760 190 HB3 PRO 29 2HB PRO 29 1.906 11.160 -12.857 191 HG2 PRO 29 1HG PRO 29 3.428 13.727 -12.623 192 HG3 PRO 29 2HG PRO 29 1.675 13.462 -12.622 193 HD2 PRO 29 1HD PRO 29 3.089 13.863 -10.348 194 HD3 PRO 29 2HD PRO 29 1.645 12.832 -10.405 195 HA PRO 30 HA PRO 30 7.723 10.175 -12.809 196 HB2 PRO 30 1HB PRO 30 7.686 9.023 -15.267 197 HB3 PRO 30 2HB PRO 30 7.439 8.110 -13.774 198 HG2 PRO 30 1HG PRO 30 5.412 9.149 -15.715 199 HG3 PRO 30 2HG PRO 30 5.480 7.573 -14.906 200 HD2 PRO 30 1HD PRO 30 3.866 9.576 -14.060 201 HD3 PRO 30 2HD PRO 30 4.593 8.399 -12.946 202 H THR 31 H THR 31 9.215 11.385 -13.943 203 HA THR 31 HA THR 31 8.363 13.807 -15.080 204 HB THR 31 HB THR 31 10.541 13.688 -14.068 205 HG1 THR 31 1HG THR 31 10.106 14.897 -16.222 206 HG21 THR 31 1HG2 THR 31 10.789 11.214 -15.010 207 HG22 THR 31 2HG2 THR 31 12.192 12.191 -14.577 208 HG23 THR 31 3HG2 THR 31 11.699 12.055 -16.265 209 H SER 32 H SER 32 9.438 10.778 -16.547 210 HA SER 32 HA SER 32 9.356 11.801 -19.225 211 HB2 SER 32 1HB SER 32 9.487 8.957 -18.193 212 HB3 SER 32 2HB SER 32 9.682 9.428 -19.882 213 HG SER 32 HG SER 32 11.290 10.693 -17.985 214 HA PRO 33 HA PRO 33 5.052 11.354 -20.030 215 HB2 PRO 33 1HB PRO 33 5.144 11.133 -22.734 216 HB3 PRO 33 2HB PRO 33 5.419 12.658 -21.885 217 HG2 PRO 33 1HG PRO 33 7.413 10.730 -23.008 218 HG3 PRO 33 2HG PRO 33 7.402 12.501 -23.089 219 HD2 PRO 33 1HD PRO 33 8.934 11.133 -21.324 220 HD3 PRO 33 2HD PRO 33 8.249 12.729 -20.957 221 H SER 34 H SER 34 7.360 8.996 -21.208 222 HA SER 34 HA SER 34 7.142 6.814 -21.875 223 HB2 SER 34 1HB SER 34 6.873 6.744 -19.382 224 HB3 SER 34 2HB SER 34 5.125 6.759 -19.618 225 HG SER 34 HG SER 34 5.212 4.770 -20.504 226 H GLY 35 H GLY 35 5.394 8.659 -23.269 227 HA2 GLY 35 1HA GLY 35 3.817 8.427 -24.940 228 HA3 GLY 35 2HA GLY 35 3.667 6.732 -24.502 229 H ASN 36 H ASN 36 1.780 6.131 -23.686 230 HA ASN 36 HA ASN 36 -0.018 8.213 -22.663 231 HB2 ASN 36 1HB ASN 36 -0.825 5.399 -23.374 232 HB3 ASN 36 2HB ASN 36 -1.839 6.835 -23.269 233 HD21 ASN 36 1HD2 ASN 36 -1.722 8.392 -24.926 234 HD22 ASN 36 2HD2 ASN 36 -1.127 7.982 -26.496 235 H ILE 37 H ILE 37 0.028 8.420 -20.525 236 HA ILE 37 HA ILE 37 0.733 6.188 -18.819 237 HB ILE 37 HB ILE 37 -0.089 8.971 -17.991 238 HG12 ILE 37 1HG1 ILE 37 1.982 8.624 -19.578 239 HG13 ILE 37 2HG1 ILE 37 2.094 9.702 -18.191 240 HG21 ILE 37 1HG2 ILE 37 -0.226 7.593 -16.110 241 HG22 ILE 37 2HG2 ILE 37 1.195 6.661 -16.576 242 HG23 ILE 37 3HG2 ILE 37 1.378 8.315 -15.995 243 HD11 ILE 37 1HD1 ILE 37 3.040 6.847 -18.258 244 HD12 ILE 37 2HD1 ILE 37 4.062 8.276 -18.417 245 HD13 ILE 37 3HD1 ILE 37 3.200 7.971 -16.909 246 H LEU 38 H LEU 38 -0.803 4.734 -18.409 247 HA LEU 38 HA LEU 38 -3.596 5.419 -18.372 248 HB2 LEU 38 1HB LEU 38 -2.284 2.840 -17.533 249 HB3 LEU 38 2HB LEU 38 -3.981 3.083 -17.940 250 HG LEU 38 HG LEU 38 -1.686 3.334 -19.883 251 HD11 LEU 38 1HD1 LEU 38 -2.472 1.218 -20.796 252 HD12 LEU 38 2HD1 LEU 38 -3.688 1.108 -19.524 253 HD13 LEU 38 3HD1 LEU 38 -1.974 1.032 -19.115 254 HD21 LEU 38 1HD2 LEU 38 -4.294 2.885 -21.011 255 HD22 LEU 38 2HD2 LEU 38 -3.142 4.182 -21.330 256 HD23 LEU 38 3HD2 LEU 38 -4.295 4.333 -20.003 257 H GLU 39 H GLU 39 -4.953 4.539 -16.483 258 HA GLU 39 HA GLU 39 -4.624 6.069 -14.250 259 HB2 GLU 39 1HB GLU 39 -5.857 3.309 -14.279 260 HB3 GLU 39 2HB GLU 39 -6.173 4.577 -13.104 261 HG2 GLU 39 1HG GLU 39 -7.199 5.951 -14.801 262 HG3 GLU 39 2HG GLU 39 -6.796 4.765 -16.042 263 H TYR 40 H TYR 40 -4.006 5.583 -12.054 264 HA TYR 40 HA TYR 40 -1.603 3.917 -11.969 265 HB2 TYR 40 1HB TYR 40 -2.641 6.096 -10.157 266 HB3 TYR 40 2HB TYR 40 -1.240 5.108 -9.758 267 HD1 TYR 40 1HD TYR 40 0.621 5.028 -11.630 268 HD2 TYR 40 2HD TYR 40 -2.304 8.096 -11.265 269 HE1 TYR 40 1HE TYR 40 2.064 6.549 -12.916 270 HE2 TYR 40 2HE TYR 40 -0.870 9.625 -12.551 271 HH TYR 40 HH TYR 40 2.128 8.522 -14.032 272 H SER 41 H SER 41 -1.186 2.756 -9.871 273 HA SER 41 HA SER 41 -3.570 1.823 -8.489 274 HB2 SER 41 1HB SER 41 -3.404 0.304 -10.412 275 HB3 SER 41 2HB SER 41 -1.736 -0.072 -9.980 276 HG SER 41 HG SER 41 -2.454 -1.070 -8.129 277 H ALA 42 H ALA 42 -3.180 1.285 -6.410 278 HA ALA 42 HA ALA 42 -0.362 1.219 -5.548 279 HB1 ALA 42 1HB ALA 42 -1.210 3.175 -4.623 280 HB2 ALA 42 2HB ALA 42 -2.779 2.448 -4.277 281 HB3 ALA 42 3HB ALA 42 -1.371 2.007 -3.312 282 H TYR 43 H TYR 43 0.326 -0.530 -4.483 283 HA TYR 43 HA TYR 43 -1.694 -2.490 -3.615 284 HB2 TYR 43 1HB TYR 43 1.171 -3.025 -4.423 285 HB3 TYR 43 2HB TYR 43 -0.051 -4.230 -4.031 286 HD1 TYR 43 2HD TYR 43 0.419 -1.349 -6.371 287 HD2 TYR 43 1HD TYR 43 -1.098 -5.282 -5.794 288 HE1 TYR 43 2HE TYR 43 -0.246 -1.433 -8.737 289 HE2 TYR 43 1HE TYR 43 -1.766 -5.377 -8.159 290 HH TYR 43 HH TYR 43 -2.217 -2.943 -10.043 291 H LEU 44 H LEU 44 -1.161 -3.791 -1.736 292 HA LEU 44 HA LEU 44 0.813 -2.603 0.075 293 HB2 LEU 44 1HB LEU 44 -1.199 -1.527 0.728 294 HB3 LEU 44 2HB LEU 44 -2.107 -3.036 0.650 295 HG LEU 44 HG LEU 44 -0.575 -3.802 2.578 296 HD11 LEU 44 1HD1 LEU 44 -0.325 -1.212 3.708 297 HD12 LEU 44 2HD1 LEU 44 0.456 -1.200 2.127 298 HD13 LEU 44 3HD1 LEU 44 0.942 -2.383 3.342 299 HD21 LEU 44 1HD2 LEU 44 -3.064 -2.982 2.555 300 HD22 LEU 44 2HD2 LEU 44 -2.395 -1.592 3.410 301 HD23 LEU 44 3HD2 LEU 44 -2.208 -3.213 4.080 302 H ALA 45 H ALA 45 2.014 -4.095 1.055 303 HA ALA 45 HA ALA 45 1.861 -6.808 0.504 304 HB1 ALA 45 1HB ALA 45 3.930 -6.326 1.275 305 HB2 ALA 45 2HB ALA 45 3.340 -5.142 2.442 306 HB3 ALA 45 3HB ALA 45 3.236 -6.864 2.804 307 H ILE 46 H ILE 46 0.899 -8.542 1.431 308 HA ILE 46 HA ILE 46 -0.621 -8.137 3.911 309 HB ILE 46 HB ILE 46 -2.469 -9.531 2.933 310 HG12 ILE 46 1HG1 ILE 46 -1.457 -8.735 0.228 311 HG13 ILE 46 2HG1 ILE 46 -0.862 -10.215 0.973 312 HG21 ILE 46 1HG2 ILE 46 -2.802 -7.183 3.210 313 HG22 ILE 46 2HG2 ILE 46 -1.883 -6.826 1.749 314 HG23 ILE 46 3HG2 ILE 46 -3.445 -7.636 1.632 315 HD11 ILE 46 1HD1 ILE 46 -2.689 -11.302 0.373 316 HD12 ILE 46 2HD1 ILE 46 -3.719 -10.102 1.156 317 HD13 ILE 46 3HD1 ILE 46 -3.200 -9.865 -0.513 318 H ARG 47 H ARG 47 -1.474 -10.318 4.730 319 HA ARG 47 HA ARG 47 0.221 -12.576 4.020 320 HB2 ARG 47 1HB ARG 47 0.171 -11.332 6.772 321 HB3 ARG 47 2HB ARG 47 0.786 -12.947 6.446 322 HG2 ARG 47 1HG ARG 47 1.856 -10.422 5.204 323 HG3 ARG 47 2HG ARG 47 2.555 -11.237 6.604 324 HD2 ARG 47 1HD ARG 47 2.522 -13.314 4.983 325 HD3 ARG 47 2HD ARG 47 2.514 -12.061 3.743 326 HE ARG 47 HE ARG 47 4.536 -11.542 5.649 327 HH11 ARG 47 2HH1 ARG 47 3.757 -13.655 2.995 328 HH12 ARG 47 1HH1 ARG 47 5.411 -13.945 2.569 329 HH21 ARG 47 2HH2 ARG 47 6.718 -11.915 5.098 330 HH22 ARG 47 1HH2 ARG 47 7.095 -12.955 3.767 331 H THR 48 H THR 48 -1.001 -14.332 3.913 332 HA THR 48 HA THR 48 -3.699 -14.323 4.883 333 HB THR 48 HB THR 48 -3.077 -15.443 2.767 334 HG1 THR 48 1HG THR 48 -4.160 -17.127 4.799 335 HG21 THR 48 1HG2 THR 48 -0.889 -16.333 3.606 336 HG22 THR 48 2HG2 THR 48 -1.874 -17.515 2.745 337 HG23 THR 48 3HG2 THR 48 -1.795 -17.549 4.506 338 H ALA 49 H ALA 49 -0.734 -16.082 5.722 339 HA ALA 49 HA ALA 49 -1.768 -16.501 8.408 340 HB1 ALA 49 1HB ALA 49 -0.650 -18.910 7.050 341 HB2 ALA 49 2HB ALA 49 -1.740 -18.801 8.433 342 HB3 ALA 49 3HB ALA 49 -2.344 -18.484 6.807 343 H GLN 50 H GLN 50 -0.022 -17.672 9.763 344 HA GLN 50 HA GLN 50 2.248 -16.109 9.884 345 HB2 GLN 50 1HB GLN 50 1.662 -18.871 10.919 346 HB3 GLN 50 2HB GLN 50 3.218 -18.103 11.203 347 HG2 GLN 50 1HG GLN 50 2.019 -16.201 12.260 348 HG3 GLN 50 2HG GLN 50 0.521 -17.117 12.094 349 HE21 GLN 50 1HE2 GLN 50 0.700 -19.410 12.999 350 HE22 GLN 50 2HE2 GLN 50 1.455 -19.552 14.547 351 H MET 51 H MET 51 3.878 -15.891 8.514 352 HA MET 51 HA MET 51 4.378 -17.479 6.300 353 HB2 MET 51 1HB MET 51 6.498 -16.314 6.104 354 HB3 MET 51 2HB MET 51 5.244 -15.185 6.599 355 HG2 MET 51 1HG MET 51 6.938 -16.496 8.670 356 HG3 MET 51 2HG MET 51 7.586 -15.151 7.735 357 HE1 MET 51 1HE MET 51 5.916 -13.168 7.183 358 HE2 MET 51 2HE MET 51 5.169 -12.271 8.505 359 HE3 MET 51 3HE MET 51 6.921 -12.469 8.453 360 H GLN 52 H GLN 52 6.060 -18.969 5.806 361 HA GLN 52 HA GLN 52 6.850 -20.589 8.126 362 HB2 GLN 52 1HB GLN 52 5.479 -21.509 6.111 363 HB3 GLN 52 2HB GLN 52 7.029 -21.523 5.281 364 HG2 GLN 52 1HG GLN 52 6.865 -22.799 7.955 365 HG3 GLN 52 2HG GLN 52 6.122 -23.625 6.586 366 HE21 GLN 52 1HE2 GLN 52 9.083 -22.569 8.037 367 HE22 GLN 52 2HE2 GLN 52 10.148 -23.446 6.998 368 H ASP 53 H ASP 53 8.116 -19.404 5.019 369 HA ASP 53 HA ASP 53 10.834 -20.030 5.820 370 HB2 ASP 53 1HB ASP 53 11.473 -19.390 3.601 371 HB3 ASP 53 2HB ASP 53 9.998 -20.345 3.469 372 H ASN 54 H ASN 54 12.543 -18.383 5.676 373 HA ASN 54 HA ASN 54 12.299 -16.334 7.431 374 HB2 ASN 54 1HB ASN 54 14.204 -15.220 6.129 375 HB3 ASN 54 2HB ASN 54 14.480 -16.863 6.699 376 HD21 ASN 54 1HD2 ASN 54 14.380 -14.796 4.024 377 HD22 ASN 54 2HD2 ASN 54 14.633 -15.981 2.792 378 HA PRO 55 HA PRO 55 9.720 -13.252 5.631 379 HB2 PRO 55 1HB PRO 55 10.554 -11.106 7.069 380 HB3 PRO 55 2HB PRO 55 9.539 -12.383 7.750 381 HG2 PRO 55 1HG PRO 55 12.497 -11.988 7.982 382 HG3 PRO 55 2HG PRO 55 11.329 -12.454 9.233 383 HD2 PRO 55 1HD PRO 55 12.922 -14.253 7.985 384 HD3 PRO 55 2HD PRO 55 11.289 -14.656 8.553 385 H SER 56 H SER 56 10.717 -13.320 3.524 386 HA SER 56 HA SER 56 12.497 -11.022 3.048 387 HB2 SER 56 1HB SER 56 13.620 -12.275 1.280 388 HB3 SER 56 2HB SER 56 13.731 -13.157 2.803 389 HG SER 56 HG SER 56 12.692 -14.737 1.905 390 H GLN 57 H GLN 57 10.447 -13.333 1.258 391 HA GLN 57 HA GLN 57 9.741 -11.317 -0.678 392 HB2 GLN 57 1HB GLN 57 8.915 -14.190 -0.291 393 HB3 GLN 57 2HB GLN 57 8.228 -13.170 -1.548 394 HG2 GLN 57 1HG GLN 57 10.636 -12.765 -2.289 395 HG3 GLN 57 2HG GLN 57 11.050 -14.131 -1.254 396 HE21 GLN 57 1HE2 GLN 57 9.533 -16.074 -1.630 397 HE22 GLN 57 2HE2 GLN 57 9.275 -16.499 -3.284 398 H LEU 58 H LEU 58 7.704 -10.422 -1.017 399 HA LEU 58 HA LEU 58 5.744 -10.799 1.144 400 HB2 LEU 58 1HB LEU 58 6.094 -8.114 -0.098 401 HB3 LEU 58 2HB LEU 58 5.465 -8.543 1.491 402 HG LEU 58 HG LEU 58 8.354 -9.008 0.939 403 HD11 LEU 58 1HD1 LEU 58 8.888 -6.713 1.568 404 HD12 LEU 58 2HD1 LEU 58 7.173 -6.307 1.571 405 HD13 LEU 58 3HD1 LEU 58 7.968 -6.764 0.065 406 HD21 LEU 58 1HD2 LEU 58 8.120 -7.916 3.404 407 HD22 LEU 58 2HD2 LEU 58 8.027 -9.646 3.071 408 HD23 LEU 58 3HD2 LEU 58 6.548 -8.698 3.238 409 H VAL 59 H VAL 59 3.548 -10.109 0.565 410 HA VAL 59 HA VAL 59 3.052 -10.371 -2.330 411 HB VAL 59 HB VAL 59 1.329 -11.388 -0.065 412 HG11 VAL 59 1HG1 VAL 59 0.089 -12.478 -2.010 413 HG12 VAL 59 2HG1 VAL 59 -0.153 -10.746 -1.770 414 HG13 VAL 59 3HG1 VAL 59 0.927 -11.319 -3.041 415 HG21 VAL 59 1HG2 VAL 59 2.006 -13.482 -1.765 416 HG22 VAL 59 2HG2 VAL 59 3.502 -12.569 -1.564 417 HG23 VAL 59 3HG2 VAL 59 2.646 -13.182 -0.149 418 H PHE 60 H PHE 60 2.603 -8.357 -2.999 419 HA PHE 60 HA PHE 60 0.969 -6.598 -1.347 420 HB2 PHE 60 1HB PHE 60 2.311 -6.064 -4.006 421 HB3 PHE 60 2HB PHE 60 1.536 -4.862 -2.978 422 HD1 PHE 60 1HD PHE 60 4.256 -7.403 -2.930 423 HD2 PHE 60 2HD PHE 60 2.805 -3.684 -1.452 424 HE1 PHE 60 1HE PHE 60 6.389 -7.040 -1.759 425 HE2 PHE 60 2HE PHE 60 4.936 -3.315 -0.279 426 HZ PHE 60 HZ PHE 60 6.731 -4.993 -0.432 427 H MET 61 H MET 61 -1.132 -6.246 -1.673 428 HA MET 61 HA MET 61 -2.326 -7.232 -4.180 429 HB2 MET 61 1HB MET 61 -4.400 -7.610 -2.866 430 HB3 MET 61 2HB MET 61 -3.050 -8.599 -2.327 431 HG2 MET 61 1HG MET 61 -3.818 -7.906 -0.314 432 HG3 MET 61 2HG MET 61 -2.705 -6.584 -0.658 433 HE1 MET 61 1HE MET 61 -5.704 -4.822 1.165 434 HE2 MET 61 2HE MET 61 -5.332 -6.526 1.433 435 HE3 MET 61 3HE MET 61 -4.025 -5.351 1.280 436 H ARG 62 H ARG 62 -3.557 -5.869 -5.347 437 HA ARG 62 HA ARG 62 -3.406 -3.135 -5.077 438 HB2 ARG 62 1HB ARG 62 -4.170 -4.447 -7.100 439 HB3 ARG 62 2HB ARG 62 -5.747 -4.569 -6.331 440 HG2 ARG 62 1HG ARG 62 -4.552 -1.869 -6.637 441 HG3 ARG 62 2HG ARG 62 -5.186 -2.672 -8.075 442 HD2 ARG 62 1HD ARG 62 -6.802 -2.478 -5.555 443 HD3 ARG 62 2HD ARG 62 -6.763 -1.155 -6.720 444 HE ARG 62 HE ARG 62 -7.370 -3.330 -8.229 445 HH11 ARG 62 2HH1 ARG 62 -8.730 -1.913 -5.355 446 HH12 ARG 62 1HH1 ARG 62 -10.343 -2.443 -5.699 447 HH21 ARG 62 2HH2 ARG 62 -9.490 -4.034 -8.693 448 HH22 ARG 62 1HH2 ARG 62 -10.774 -3.651 -7.597 449 H ILE 63 H ILE 63 -4.359 -1.649 -3.841 450 HA ILE 63 HA ILE 63 -6.713 -2.464 -2.263 451 HB ILE 63 HB ILE 63 -5.998 -1.036 -0.475 452 HG12 ILE 63 1HG1 ILE 63 -3.611 -0.295 -2.180 453 HG13 ILE 63 2HG1 ILE 63 -5.013 0.738 -1.927 454 HG21 ILE 63 1HG2 ILE 63 -4.506 -3.266 -1.387 455 HG22 ILE 63 2HG2 ILE 63 -3.378 -2.114 -0.675 456 HG23 ILE 63 3HG2 ILE 63 -4.744 -2.707 0.268 457 HD11 ILE 63 1HD1 ILE 63 -4.325 0.221 0.624 458 HD12 ILE 63 2HD1 ILE 63 -2.746 0.156 -0.158 459 HD13 ILE 63 3HD1 ILE 63 -3.741 1.605 -0.300 460 H TYR 64 H TYR 64 -5.229 0.017 -4.220 461 HA TYR 64 HA TYR 64 -7.798 1.456 -4.244 462 HB2 TYR 64 1HB TYR 64 -6.559 3.028 -3.118 463 HB3 TYR 64 2HB TYR 64 -5.040 2.503 -3.835 464 HD1 TYR 64 1HD TYR 64 -8.259 4.110 -4.853 465 HD2 TYR 64 2HD TYR 64 -4.044 3.889 -5.390 466 HE1 TYR 64 1HE TYR 64 -8.369 5.987 -6.440 467 HE2 TYR 64 2HE TYR 64 -4.142 5.765 -6.977 468 HH TYR 64 HH TYR 64 -7.190 7.440 -7.657 469 H CYS 65 H CYS 65 -8.662 1.672 -6.199 470 HA CYS 65 HA CYS 65 -6.905 1.357 -8.544 471 HB2 CYS 65 1HB CYS 65 -8.303 -0.585 -8.394 472 HB3 CYS 65 2HB CYS 65 -9.736 0.397 -8.116 473 HG CYS 65 HG CYS 65 -8.019 0.690 -11.040 474 H GLY 66 H GLY 66 -6.620 3.339 -9.363 475 HA2 GLY 66 1HA GLY 66 -8.753 4.737 -10.574 476 HA3 GLY 66 2HA GLY 66 -8.336 5.524 -9.059 477 H LEU 67 H LEU 67 -7.883 7.313 -10.621 478 HA LEU 67 HA LEU 67 -5.196 7.043 -11.794 479 HB2 LEU 67 1HB LEU 67 -5.787 8.911 -13.247 480 HB3 LEU 67 2HB LEU 67 -6.903 7.560 -13.434 481 HG LEU 67 HG LEU 67 -7.540 9.957 -11.730 482 HD11 LEU 67 1HD1 LEU 67 -9.030 10.392 -13.889 483 HD12 LEU 67 2HD1 LEU 67 -7.646 9.628 -14.671 484 HD13 LEU 67 3HD1 LEU 67 -7.417 11.080 -13.697 485 HD21 LEU 67 1HD2 LEU 67 -9.216 8.591 -11.164 486 HD22 LEU 67 2HD2 LEU 67 -8.880 7.479 -12.492 487 HD23 LEU 67 3HD2 LEU 67 -9.854 8.923 -12.775 488 H LYS 68 H LYS 68 -7.186 8.811 -9.568 489 HA LYS 68 HA LYS 68 -5.853 11.164 -9.178 490 HB2 LYS 68 1HB LYS 68 -7.883 10.022 -7.913 491 HB3 LYS 68 2HB LYS 68 -6.630 9.613 -6.748 492 HG2 LYS 68 1HG LYS 68 -7.305 11.595 -5.879 493 HG3 LYS 68 2HG LYS 68 -6.071 12.187 -6.994 494 HD2 LYS 68 1HD LYS 68 -8.856 11.878 -7.999 495 HD3 LYS 68 2HD LYS 68 -8.498 13.235 -6.930 496 HE2 LYS 68 1HE LYS 68 -6.587 13.798 -8.469 497 HE3 LYS 68 2HE LYS 68 -7.223 12.586 -9.580 498 HZ1 LYS 68 1HZ LYS 68 -8.028 15.251 -9.269 499 HZ2 LYS 68 2HZ LYS 68 -9.328 14.262 -8.832 500 HZ3 LYS 68 3HZ LYS 68 -8.617 14.098 -10.358 501 H THR 69 H THR 69 -4.092 11.868 -7.985 502 HA THR 69 HA THR 69 -2.023 9.853 -7.570 503 HB THR 69 HB THR 69 -0.468 11.735 -7.378 504 HG1 THR 69 1HG THR 69 -2.865 13.176 -7.272 505 HG21 THR 69 1HG2 THR 69 -1.330 10.811 -9.629 506 HG22 THR 69 2HG2 THR 69 -0.451 12.341 -9.635 507 HG23 THR 69 3HG2 THR 69 -2.211 12.334 -9.747 508 H SER 70 H SER 70 -4.134 9.840 -5.692 509 HA SER 70 HA SER 70 -2.669 9.895 -3.272 510 HB2 SER 70 1HB SER 70 -3.618 11.722 -2.113 511 HB3 SER 70 2HB SER 70 -3.187 12.376 -3.693 512 HG SER 70 HG SER 70 -5.201 12.936 -3.810 513 H CYS 71 H CYS 71 -3.518 8.374 -2.014 514 HA CYS 71 HA CYS 71 -6.402 7.827 -2.206 515 HB2 CYS 71 1HB CYS 71 -6.069 5.498 -2.328 516 HB3 CYS 71 2HB CYS 71 -4.904 6.169 -3.463 517 HG CYS 71 HG CYS 71 -4.296 4.807 -0.396 518 H THR 72 H THR 72 -7.160 6.434 -0.340 519 HA THR 72 HA THR 72 -5.696 7.137 2.120 520 HB THR 72 HB THR 72 -8.704 7.090 1.811 521 HG1 THR 72 1HG THR 72 -8.565 9.163 1.387 522 HG21 THR 72 1HG2 THR 72 -7.047 6.900 4.096 523 HG22 THR 72 2HG2 THR 72 -8.799 7.098 4.036 524 HG23 THR 72 3HG2 THR 72 -7.752 8.516 4.097 525 H VAL 73 H VAL 73 -5.435 5.555 3.601 526 HA VAL 73 HA VAL 73 -6.650 2.941 2.993 527 HB VAL 73 HB VAL 73 -4.120 3.462 4.557 528 HG11 VAL 73 1HG1 VAL 73 -4.532 0.834 3.363 529 HG12 VAL 73 2HG1 VAL 73 -4.037 1.272 5.000 530 HG13 VAL 73 3HG1 VAL 73 -5.748 1.251 4.570 531 HG21 VAL 73 1HG2 VAL 73 -3.448 2.128 2.228 532 HG22 VAL 73 2HG2 VAL 73 -4.608 3.347 1.698 533 HG23 VAL 73 3HG2 VAL 73 -3.159 3.832 2.578 534 H THR 74 H THR 74 -8.194 2.322 4.338 535 HA THR 74 HA THR 74 -8.620 3.635 6.857 536 HB THR 74 HB THR 74 -10.539 2.084 7.098 537 HG1 THR 74 1HG THR 74 -9.737 1.094 4.548 538 HG21 THR 74 1HG2 THR 74 -10.284 4.197 5.382 539 HG22 THR 74 2HG2 THR 74 -11.801 3.381 5.762 540 HG23 THR 74 3HG2 THR 74 -10.897 2.933 4.316 541 H ALA 75 H ALA 75 -8.759 2.566 8.914 542 HA ALA 75 HA ALA 75 -6.529 1.157 9.680 543 HB1 ALA 75 1HB ALA 75 -8.755 0.394 11.336 544 HB2 ALA 75 2HB ALA 75 -7.394 1.453 11.704 545 HB3 ALA 75 3HB ALA 75 -8.837 2.109 10.932 546 H GLY 76 H GLY 76 -9.786 -0.276 9.325 547 HA2 GLY 76 1HA GLY 76 -9.312 -2.896 9.714 548 HA3 GLY 76 2HA GLY 76 -10.381 -2.334 8.437 549 H GLN 77 H GLN 77 -8.373 -1.103 6.824 550 HA GLN 77 HA GLN 77 -7.467 -3.415 5.408 551 HB2 GLN 77 1HB GLN 77 -6.978 -0.467 4.976 552 HB3 GLN 77 2HB GLN 77 -6.407 -1.722 3.885 553 HG2 GLN 77 1HG GLN 77 -9.304 -1.376 4.594 554 HG3 GLN 77 2HG GLN 77 -8.541 -0.555 3.234 555 HE21 GLN 77 1HE2 GLN 77 -7.453 -1.962 1.645 556 HE22 GLN 77 2HE2 GLN 77 -8.171 -3.492 1.287 557 H LEU 78 H LEU 78 -5.908 -0.898 7.340 558 HA LEU 78 HA LEU 78 -3.247 -1.570 6.862 559 HB2 LEU 78 1HB LEU 78 -4.711 -0.215 9.064 560 HB3 LEU 78 2HB LEU 78 -3.044 -0.706 9.358 561 HG LEU 78 HG LEU 78 -3.772 0.978 6.983 562 HD11 LEU 78 1HD1 LEU 78 -2.720 2.329 9.380 563 HD12 LEU 78 2HD1 LEU 78 -4.409 1.826 9.455 564 HD13 LEU 78 3HD1 LEU 78 -3.864 2.895 8.163 565 HD21 LEU 78 1HD2 LEU 78 -1.229 1.111 8.531 566 HD22 LEU 78 2HD2 LEU 78 -1.523 1.400 6.816 567 HD23 LEU 78 3HD2 LEU 78 -1.500 -0.250 7.442 568 H ALA 79 H ALA 79 -5.609 -2.994 9.028 569 HA ALA 79 HA ALA 79 -3.937 -4.508 10.660 570 HB1 ALA 79 1HB ALA 79 -6.652 -5.359 9.667 571 HB2 ALA 79 2HB ALA 79 -5.849 -5.859 11.156 572 HB3 ALA 79 3HB ALA 79 -6.391 -4.192 10.963 573 H ASN 80 H ASN 80 -4.424 -4.752 7.326 574 HA ASN 80 HA ASN 80 -3.683 -7.581 7.229 575 HB2 ASN 80 1HB ASN 80 -4.173 -5.890 4.799 576 HB3 ASN 80 2HB ASN 80 -4.432 -7.618 5.020 577 HD21 ASN 80 1HD2 ASN 80 -6.306 -5.823 3.933 578 HD22 ASN 80 2HD2 ASN 80 -7.673 -5.773 4.989 579 H ALA 81 H ALA 81 -2.359 -4.431 6.842 580 HA ALA 81 HA ALA 81 -0.209 -4.985 5.117 581 HB1 ALA 81 1HB ALA 81 -0.855 -2.714 5.605 582 HB2 ALA 81 2HB ALA 81 -0.450 -2.928 7.308 583 HB3 ALA 81 3HB ALA 81 0.823 -2.960 6.088 584 H HIS 82 H HIS 82 1.741 -5.898 5.415 585 HA HIS 82 HA HIS 82 2.283 -7.091 8.029 586 HB2 HIS 82 1HB HIS 82 2.529 -8.778 6.481 587 HB3 HIS 82 2HB HIS 82 3.112 -7.688 5.227 588 HD1 HIS 82 1HD HIS 82 4.263 -9.819 8.050 589 HD2 HIS 82 2HD HIS 82 5.887 -7.175 5.287 590 HE1 HIS 82 1HE HIS 82 6.751 -10.161 8.174 591 HE2 HIS 82 2HE HIS 82 7.717 -8.490 6.556 592 H ILE 83 H ILE 83 3.342 -5.732 9.339 593 HA ILE 83 HA ILE 83 5.288 -3.855 8.328 594 HB ILE 83 HB ILE 83 4.486 -4.504 11.166 595 HG12 ILE 83 1HG1 ILE 83 3.771 -2.115 9.455 596 HG13 ILE 83 2HG1 ILE 83 2.717 -3.504 9.695 597 HG21 ILE 83 1HG2 ILE 83 6.752 -3.593 11.038 598 HG22 ILE 83 2HG2 ILE 83 6.148 -2.221 10.110 599 HG23 ILE 83 3HG2 ILE 83 5.638 -2.446 11.783 600 HD11 ILE 83 1HD1 ILE 83 3.609 -2.462 12.220 601 HD12 ILE 83 2HD1 ILE 83 2.858 -1.199 11.243 602 HD13 ILE 83 3HD1 ILE 83 1.970 -2.680 11.605 603 H ASP 84 H ASP 84 7.461 -4.003 8.413 604 HA ASP 84 HA ASP 84 8.610 -6.585 9.020 605 HB2 ASP 84 1HB ASP 84 9.474 -5.589 7.059 606 HB3 ASP 84 2HB ASP 84 9.703 -4.033 7.852 607 H TYR 85 H TYR 85 9.043 -7.071 11.068 608 HA TYR 85 HA TYR 85 9.900 -4.959 12.905 609 HB2 TYR 85 1HB TYR 85 8.870 -7.760 13.324 610 HB3 TYR 85 2HB TYR 85 9.603 -6.832 14.628 611 HD1 TYR 85 1HD TYR 85 8.589 -4.231 14.540 612 HD2 TYR 85 2HD TYR 85 6.576 -7.821 13.459 613 HE1 TYR 85 1HE TYR 85 6.427 -3.147 14.988 614 HE2 TYR 85 2HE TYR 85 4.409 -6.746 13.903 615 HH TYR 85 HH TYR 85 4.126 -3.349 14.483 616 H THR 86 H THR 86 11.705 -5.906 10.878 617 HA THR 86 HA THR 86 13.602 -7.653 12.190 618 HB THR 86 HB THR 86 13.818 -6.150 9.574 619 HG1 THR 86 1HG THR 86 13.274 -8.133 8.664 620 HG21 THR 86 1HG2 THR 86 15.622 -7.929 9.174 621 HG22 THR 86 2HG2 THR 86 15.615 -8.145 10.924 622 HG23 THR 86 3HG2 THR 86 16.031 -6.578 10.231 623 H SER 87 H SER 87 13.808 -4.354 10.837 624 HA SER 87 HA SER 87 15.871 -3.765 12.856 625 HB2 SER 87 1HB SER 87 15.547 -2.917 10.004 626 HB3 SER 87 2HB SER 87 16.368 -1.834 11.128 627 HG SER 87 HG SER 87 17.609 -3.871 11.668 628 H ARG 88 H ARG 88 13.219 -2.284 11.003 629 HA ARG 88 HA ARG 88 12.485 -0.743 13.371 630 HB2 ARG 88 1HB ARG 88 13.417 0.395 10.779 631 HB3 ARG 88 2HB ARG 88 12.101 1.210 11.612 632 HG2 ARG 88 1HG ARG 88 13.437 1.682 13.487 633 HG3 ARG 88 2HG ARG 88 14.686 0.543 12.980 634 HD2 ARG 88 1HD ARG 88 14.816 2.087 10.873 635 HD3 ARG 88 2HD ARG 88 14.063 3.272 11.940 636 HE ARG 88 HE ARG 88 16.084 3.538 12.951 637 HH11 ARG 88 2HH1 ARG 88 16.034 0.422 11.400 638 HH12 ARG 88 1HH1 ARG 88 17.684 0.059 11.784 639 HH21 ARG 88 2HH2 ARG 88 18.258 3.071 13.463 640 HH22 ARG 88 1HH2 ARG 88 18.948 1.566 12.959 641 HA PRO 89 HA PRO 89 8.493 -2.094 12.027 642 HB2 PRO 89 1HB PRO 89 7.023 -0.596 13.749 643 HB3 PRO 89 2HB PRO 89 7.908 -2.042 14.248 644 HG2 PRO 89 1HG PRO 89 8.679 0.838 14.519 645 HG3 PRO 89 2HG PRO 89 8.837 -0.478 15.697 646 HD2 PRO 89 1HD PRO 89 10.918 0.395 14.200 647 HD3 PRO 89 2HD PRO 89 10.754 -1.297 14.714 648 H ALA 90 H ALA 90 8.390 -1.216 9.942 649 HA ALA 90 HA ALA 90 6.915 1.314 9.778 650 HB1 ALA 90 1HB ALA 90 9.391 0.617 8.215 651 HB2 ALA 90 2HB ALA 90 8.270 1.892 7.734 652 HB3 ALA 90 3HB ALA 90 9.126 2.004 9.272 653 H ILE 91 H ILE 91 5.631 1.546 7.872 654 HA ILE 91 HA ILE 91 4.685 -1.011 6.866 655 HB ILE 91 HB ILE 91 3.610 1.777 6.426 656 HG12 ILE 91 1HG1 ILE 91 2.623 -0.462 8.207 657 HG13 ILE 91 2HG1 ILE 91 3.456 0.986 8.762 658 HG21 ILE 91 1HG2 ILE 91 1.924 0.930 5.159 659 HG22 ILE 91 2HG2 ILE 91 3.180 -0.237 4.748 660 HG23 ILE 91 3HG2 ILE 91 1.962 -0.642 5.958 661 HD11 ILE 91 1HD1 ILE 91 1.518 2.234 7.572 662 HD12 ILE 91 2HD1 ILE 91 0.688 0.683 7.704 663 HD13 ILE 91 3HD1 ILE 91 1.256 1.506 9.156 664 H VAL 92 H VAL 92 5.090 -1.802 4.901 665 HA VAL 92 HA VAL 92 6.691 -0.185 3.062 666 HB VAL 92 HB VAL 92 6.092 -3.146 3.035 667 HG11 VAL 92 1HG1 VAL 92 8.011 -1.564 1.328 668 HG12 VAL 92 2HG1 VAL 92 7.758 -3.310 1.281 669 HG13 VAL 92 3HG1 VAL 92 6.465 -2.217 0.786 670 HG21 VAL 92 1HG2 VAL 92 8.762 -2.920 3.398 671 HG22 VAL 92 2HG2 VAL 92 8.193 -1.500 4.275 672 HG23 VAL 92 3HG2 VAL 92 7.599 -3.102 4.711 673 H PHE 93 H PHE 93 5.693 0.856 1.480 674 HA PHE 93 HA PHE 93 3.180 -0.254 0.422 675 HB2 PHE 93 1HB PHE 93 4.173 2.567 0.719 676 HB3 PHE 93 2HB PHE 93 2.914 2.176 -0.448 677 HD1 PHE 93 2HD PHE 93 0.911 0.774 0.531 678 HD2 PHE 93 1HD PHE 93 3.554 3.180 2.841 679 HE1 PHE 93 2HE PHE 93 -0.783 0.921 2.310 680 HE2 PHE 93 1HE PHE 93 1.865 3.331 4.624 681 HZ PHE 93 HZ PHE 93 -0.307 2.201 4.359 682 H ARG 94 H ARG 94 2.846 -0.343 -1.805 683 HA ARG 94 HA ARG 94 5.247 0.067 -3.463 684 HB2 ARG 94 1HB ARG 94 4.408 -2.375 -2.867 685 HB3 ARG 94 2HB ARG 94 3.273 -2.055 -4.171 686 HG2 ARG 94 1HG ARG 94 5.407 -1.369 -5.494 687 HG3 ARG 94 2HG ARG 94 6.239 -2.328 -4.268 688 HD2 ARG 94 1HD ARG 94 3.856 -3.507 -5.597 689 HD3 ARG 94 2HD ARG 94 5.353 -3.398 -6.522 690 HE ARG 94 HE ARG 94 5.866 -4.524 -3.986 691 HH11 ARG 94 2HH1 ARG 94 4.390 -5.274 -7.048 692 HH12 ARG 94 1HH1 ARG 94 4.679 -6.977 -6.919 693 HH21 ARG 94 2HH2 ARG 94 6.253 -6.765 -3.804 694 HH22 ARG 94 1HH2 ARG 94 5.738 -7.824 -5.072 695 H ILE 95 H ILE 95 4.976 1.105 -5.366 696 HA ILE 95 HA ILE 95 2.273 1.515 -6.403 697 HB ILE 95 HB ILE 95 4.170 3.822 -5.966 698 HG12 ILE 95 1HG1 ILE 95 1.570 3.366 -4.513 699 HG13 ILE 95 2HG1 ILE 95 3.102 2.775 -3.878 700 HG21 ILE 95 1HG2 ILE 95 2.433 5.218 -6.763 701 HG22 ILE 95 2HG2 ILE 95 2.571 3.892 -7.916 702 HG23 ILE 95 3HG2 ILE 95 1.263 3.900 -6.733 703 HD11 ILE 95 1HD1 ILE 95 3.933 4.944 -3.579 704 HD12 ILE 95 2HD1 ILE 95 2.675 5.655 -4.591 705 HD13 ILE 95 3HD1 ILE 95 2.267 4.999 -3.006 706 H SER 96 H SER 96 2.171 1.943 -8.609 707 HA SER 96 HA SER 96 4.584 2.307 -10.150 708 HB2 SER 96 1HB SER 96 4.313 -0.218 -9.637 709 HB3 SER 96 2HB SER 96 2.977 -0.156 -10.786 710 HG SER 96 HG SER 96 5.648 0.644 -11.322 711 H ALA 97 H ALA 97 3.935 2.033 -12.614 712 HA ALA 97 HA ALA 97 1.265 3.222 -12.986 713 HB1 ALA 97 1HB ALA 97 2.053 4.977 -14.177 714 HB2 ALA 97 2HB ALA 97 3.490 4.693 -13.194 715 HB3 ALA 97 3HB ALA 97 3.408 4.063 -14.839 716 H LYS 98 H LYS 98 0.059 2.392 -14.593 717 HA LYS 98 HA LYS 98 1.072 0.075 -15.996 718 HB2 LYS 98 1HB LYS 98 -1.312 0.500 -14.948 719 HB3 LYS 98 2HB LYS 98 -1.637 1.228 -16.516 720 HG2 LYS 98 1HG LYS 98 -0.861 -0.917 -17.561 721 HG3 LYS 98 2HG LYS 98 -0.834 -1.611 -15.938 722 HD2 LYS 98 1HD LYS 98 -3.126 -1.553 -15.731 723 HD3 LYS 98 2HD LYS 98 -3.302 -0.224 -16.880 724 HE2 LYS 98 1HE LYS 98 -2.720 -1.754 -18.712 725 HE3 LYS 98 2HE LYS 98 -2.582 -3.076 -17.554 726 HZ1 LYS 98 1HZ LYS 98 -4.990 -2.420 -16.959 727 HZ2 LYS 98 2HZ LYS 98 -4.710 -3.327 -18.359 728 HZ3 LYS 98 3HZ LYS 98 -4.996 -1.664 -18.473 729 H ASN 99 H ASN 99 1.565 -0.076 -18.118 730 HA ASN 99 HA ASN 99 1.584 2.421 -19.650 731 HB2 ASN 99 1HB ASN 99 3.041 0.830 -21.199 732 HB3 ASN 99 2HB ASN 99 3.733 1.621 -19.786 733 HD21 ASN 99 1HD2 ASN 99 3.632 -1.191 -21.381 734 HD22 ASN 99 2HD2 ASN 99 3.921 -2.296 -20.085 735 H GLU 100 H GLU 100 0.991 -1.046 -20.260 736 HA GLU 100 HA GLU 100 -1.190 -0.266 -22.068 737 HB2 GLU 100 1HB GLU 100 1.128 -2.077 -22.636 738 HB3 GLU 100 2HB GLU 100 -0.419 -2.370 -23.419 739 HG2 GLU 100 1HG GLU 100 -0.338 0.024 -24.203 740 HG3 GLU 100 2HG GLU 100 1.332 0.059 -23.639 741 H LYS 101 H LYS 101 0.310 -3.256 -20.826 742 HA LYS 101 HA LYS 101 -2.350 -4.068 -19.850 743 HB2 LYS 101 1HB LYS 101 -0.289 -5.619 -21.375 744 HB3 LYS 101 2HB LYS 101 -1.359 -6.459 -20.260 745 HG2 LYS 101 1HG LYS 101 -2.556 -4.624 -22.271 746 HG3 LYS 101 2HG LYS 101 -1.965 -6.201 -22.798 747 HD2 LYS 101 1HD LYS 101 -3.344 -7.014 -20.689 748 HD3 LYS 101 2HD LYS 101 -4.230 -5.518 -20.994 749 HE2 LYS 101 1HE LYS 101 -5.405 -7.070 -22.250 750 HE3 LYS 101 2HE LYS 101 -4.319 -6.354 -23.441 751 HZ1 LYS 101 1HZ LYS 101 -3.758 -8.449 -23.890 752 HZ2 LYS 101 2HZ LYS 101 -4.439 -9.053 -22.464 753 HZ3 LYS 101 3HZ LYS 101 -2.872 -8.415 -22.448 754 H GLY 102 H GLY 102 0.842 -3.381 -19.072 755 HA2 GLY 102 1HA GLY 102 0.470 -4.592 -16.419 756 HA3 GLY 102 2HA GLY 102 1.964 -4.896 -17.293 757 H TYR 103 H TYR 103 2.531 -3.879 -15.034 758 HA TYR 103 HA TYR 103 2.735 -0.960 -15.382 759 HB2 TYR 103 1HB TYR 103 2.875 -2.567 -12.822 760 HB3 TYR 103 2HB TYR 103 2.994 -0.815 -12.945 761 HD1 TYR 103 1HD TYR 103 0.683 -3.611 -13.835 762 HD2 TYR 103 2HD TYR 103 1.082 0.455 -12.646 763 HE1 TYR 103 1HE TYR 103 -1.762 -3.438 -13.629 764 HE2 TYR 103 2HE TYR 103 -1.361 0.639 -12.435 765 HH TYR 103 HH TYR 103 -3.480 -1.393 -13.768 766 H GLY 104 H GLY 104 4.725 0.012 -14.404 767 HA2 GLY 104 1HA GLY 104 7.036 -1.466 -15.360 768 HA3 GLY 104 2HA GLY 104 7.009 0.215 -14.845 769 HA PRO 105 HA PRO 105 9.255 -2.038 -11.549 770 HB2 PRO 105 1HB PRO 105 10.939 0.020 -11.003 771 HB3 PRO 105 2HB PRO 105 11.233 -1.143 -12.302 772 HG2 PRO 105 1HG PRO 105 10.078 1.615 -12.454 773 HG3 PRO 105 2HG PRO 105 11.267 0.840 -13.517 774 HD2 PRO 105 1HD PRO 105 8.648 1.054 -14.170 775 HD3 PRO 105 2HD PRO 105 9.652 -0.316 -14.688 776 H ALA 106 H ALA 106 8.350 -2.097 -9.599 777 HA ALA 106 HA ALA 106 6.823 0.139 -8.597 778 HB1 ALA 106 1HB ALA 106 7.095 -1.926 -6.650 779 HB2 ALA 106 2HB ALA 106 5.674 -1.466 -7.587 780 HB3 ALA 106 3HB ALA 106 6.803 -2.660 -8.226 781 H THR 107 H THR 107 7.190 1.244 -6.652 782 HA THR 107 HA THR 107 10.009 1.280 -5.824 783 HB THR 107 HB THR 107 7.867 3.391 -5.508 784 HG1 THR 107 1HG THR 107 10.265 3.665 -6.972 785 HG21 THR 107 1HG2 THR 107 10.584 3.103 -4.356 786 HG22 THR 107 2HG2 THR 107 9.162 3.924 -3.713 787 HG23 THR 107 3HG2 THR 107 10.136 4.695 -4.964 788 H GLN 108 H GLN 108 10.599 0.799 -3.790 789 HA GLN 108 HA GLN 108 8.489 -0.014 -1.931 790 HB2 GLN 108 1HB GLN 108 10.144 -1.708 -2.338 791 HB3 GLN 108 2HB GLN 108 11.453 -0.584 -2.000 792 HG2 GLN 108 1HG GLN 108 10.527 -0.407 0.341 793 HG3 GLN 108 2HG GLN 108 9.491 -1.774 -0.065 794 HE21 GLN 108 1HE2 GLN 108 11.143 -2.083 2.000 795 HE22 GLN 108 2HE2 GLN 108 12.462 -3.123 1.598 796 H ILE 109 H ILE 109 7.849 1.459 -0.512 797 HA ILE 109 HA ILE 109 9.836 3.367 0.532 798 HB ILE 109 HB ILE 109 7.971 4.411 -0.706 799 HG12 ILE 109 1HG1 ILE 109 7.634 5.060 2.212 800 HG13 ILE 109 2HG1 ILE 109 9.139 5.414 1.371 801 HG21 ILE 109 1HG2 ILE 109 6.397 2.502 0.352 802 HG22 ILE 109 2HG2 ILE 109 6.024 3.844 1.432 803 HG23 ILE 109 3HG2 ILE 109 5.785 4.019 -0.306 804 HD11 ILE 109 1HD1 ILE 109 8.276 7.199 0.359 805 HD12 ILE 109 2HD1 ILE 109 6.771 6.366 -0.033 806 HD13 ILE 109 3HD1 ILE 109 6.992 7.082 1.563 807 H ARG 110 H ARG 110 9.841 3.852 2.752 808 HA ARG 110 HA ARG 110 8.448 1.878 4.441 809 HB2 ARG 110 1HB ARG 110 11.252 2.951 4.594 810 HB3 ARG 110 2HB ARG 110 10.456 2.299 6.020 811 HG2 ARG 110 1HG ARG 110 10.001 0.267 4.386 812 HG3 ARG 110 2HG ARG 110 11.436 0.915 3.590 813 HD2 ARG 110 1HD ARG 110 12.449 0.933 5.973 814 HD3 ARG 110 2HD ARG 110 11.141 -0.185 6.359 815 HE ARG 110 HE ARG 110 12.439 -1.104 4.058 816 HH11 ARG 110 2HH1 ARG 110 13.057 -0.662 7.455 817 HH12 ARG 110 1HH1 ARG 110 14.197 -1.963 7.550 818 HH21 ARG 110 2HH2 ARG 110 13.938 -2.820 4.170 819 HH22 ARG 110 1HH2 ARG 110 14.698 -3.189 5.681 820 H TRP 111 H TRP 111 6.960 2.789 5.679 821 HA TRP 111 HA TRP 111 7.230 5.621 6.392 822 HB2 TRP 111 1HB TRP 111 5.140 4.806 5.253 823 HB3 TRP 111 2HB TRP 111 4.796 3.854 6.695 824 HD1 TRP 111 HD TRP 111 5.796 7.587 6.219 825 HE1 TRP 111 1HE TRP 111 4.150 9.017 7.587 826 HE3 TRP 111 3HE TRP 111 2.822 3.861 8.065 827 HZ2 TRP 111 2HZ TRP 111 1.891 8.618 9.232 828 HZ3 TRP 111 3HZ TRP 111 0.940 4.469 9.528 829 HH2 TRP 111 HH TRP 111 0.486 6.800 10.099 830 H LEU 112 H LEU 112 8.164 5.989 8.290 831 HA LEU 112 HA LEU 112 8.111 4.012 10.399 832 HB2 LEU 112 1HB LEU 112 9.487 6.616 9.946 833 HB3 LEU 112 2HB LEU 112 9.354 5.997 11.591 834 HG LEU 112 HG LEU 112 10.582 4.418 9.340 835 HD11 LEU 112 1HD1 LEU 112 12.141 6.059 9.385 836 HD12 LEU 112 2HD1 LEU 112 12.703 5.144 10.783 837 HD13 LEU 112 3HD1 LEU 112 11.709 6.582 11.013 838 HD21 LEU 112 1HD2 LEU 112 11.726 3.418 11.455 839 HD22 LEU 112 2HD2 LEU 112 10.089 2.921 11.025 840 HD23 LEU 112 3HD2 LEU 112 10.343 4.112 12.303 841 H GLN 113 H GLN 113 6.476 3.870 11.773 842 HA GLN 113 HA GLN 113 4.267 5.349 12.047 843 HB2 GLN 113 1HB GLN 113 5.826 4.118 14.324 844 HB3 GLN 113 2HB GLN 113 4.154 4.652 14.437 845 HG2 GLN 113 1HG GLN 113 3.395 2.970 13.011 846 HG3 GLN 113 2HG GLN 113 5.012 2.640 12.393 847 HE21 GLN 113 1HE2 GLN 113 5.159 0.522 12.891 848 HE22 GLN 113 2HE2 GLN 113 5.121 -0.104 14.501 849 H GLY 114 H GLY 114 7.093 5.916 14.161 850 HA2 GLY 114 1HA GLY 114 7.948 8.207 14.349 851 HA3 GLY 114 2HA GLY 114 6.280 8.754 14.274 852 H ASN 115 H ASN 115 7.469 9.821 16.279 853 HA ASN 115 HA ASN 115 6.820 8.157 18.624 854 HB2 ASN 115 1HB ASN 115 8.586 9.114 19.838 855 HB3 ASN 115 2HB ASN 115 9.275 8.854 18.238 856 HD21 ASN 115 1HD2 ASN 115 8.558 11.107 20.662 857 HD22 ASN 115 2HD2 ASN 115 9.049 12.532 19.819 858 H SER 116 H SER 116 6.867 11.461 17.338 859 HA SER 116 HA SER 116 5.089 12.368 19.457 860 HB2 SER 116 1HB SER 116 7.022 13.761 18.622 861 HB3 SER 116 2HB SER 116 6.137 13.960 17.109 862 HG SER 116 HG SER 116 5.704 15.696 18.475 863 H LYS 117 H LYS 117 3.168 13.690 18.840 864 HA LYS 117 HA LYS 117 1.923 12.917 16.315 865 HB2 LYS 117 1HB LYS 117 1.187 11.179 17.829 866 HB3 LYS 117 2HB LYS 117 0.717 12.372 19.032 867 HG2 LYS 117 1HG LYS 117 -1.187 12.963 17.907 868 HG3 LYS 117 2HG LYS 117 -0.537 12.488 16.336 869 HD2 LYS 117 1HD LYS 117 -2.194 10.887 16.882 870 HD3 LYS 117 2HD LYS 117 -0.638 10.100 17.158 871 HE2 LYS 117 1HE LYS 117 -1.728 9.515 19.081 872 HE3 LYS 117 2HE LYS 117 -0.986 11.028 19.598 873 HZ1 LYS 117 1HZ LYS 117 -3.010 12.170 19.342 874 HZ2 LYS 117 2HZ LYS 117 -3.404 10.739 20.152 875 HZ3 LYS 117 3HZ LYS 117 -3.733 10.893 18.500 876 H SER 118 H SER 118 0.301 14.317 15.611 877 HA SER 118 HA SER 118 0.534 17.000 16.509 878 HB2 SER 118 1HB SER 118 -1.285 15.633 14.531 879 HB3 SER 118 2HB SER 118 -1.434 17.352 14.897 880 HG SER 118 HG SER 118 -0.070 17.172 13.163 881 H GLY 119 H GLY 119 -2.108 14.622 16.701 882 HA2 GLY 119 1HA GLY 119 -2.949 15.464 19.257 883 HA3 GLY 119 2HA GLY 119 -3.958 16.235 18.042 884 HA PRO 120 HA PRO 120 -5.828 12.125 19.111 885 HB2 PRO 120 1HB PRO 120 -8.352 13.082 19.402 886 HB3 PRO 120 2HB PRO 120 -7.173 13.065 20.719 887 HG2 PRO 120 1HG PRO 120 -7.971 15.321 18.920 888 HG3 PRO 120 2HG PRO 120 -7.696 15.330 20.672 889 HD2 PRO 120 1HD PRO 120 -5.848 16.218 18.902 890 HD3 PRO 120 2HD PRO 120 -5.406 15.446 20.439 891 H SER 121 H SER 121 -7.155 10.838 17.807 892 HA SER 121 HA SER 121 -8.269 12.039 15.384 893 HB2 SER 121 1HB SER 121 -6.156 9.894 15.466 894 HB3 SER 121 2HB SER 121 -7.251 10.051 14.093 895 HG SER 121 HG SER 121 -5.949 12.351 14.987 896 H SER 122 H SER 122 -9.663 10.503 14.183 897 HA SER 122 HA SER 122 -11.139 8.838 16.084 898 HB2 SER 122 1HB SER 122 -12.244 10.668 14.659 899 HB3 SER 122 2HB SER 122 -12.044 9.562 13.300 900 HG SER 122 HG SER 122 -13.239 8.012 14.548 901 H GLY 123 H GLY 123 -11.211 6.680 15.950 902 HA2 GLY 123 1HA GLY 123 -9.600 5.378 13.911 903 HA3 GLY 123 2HA GLY 123 -10.306 4.616 15.328 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.221 -13.965 -16.679 2 HA2 GLY 1 1HA GLY 1 12.512 -11.814 -17.659 3 HA3 GLY 1 2HA GLY 1 12.329 -12.246 -15.965 4 H SER 2 H SER 2 13.735 -10.081 -17.928 5 HA SER 2 HA SER 2 16.101 -9.755 -16.204 6 HB2 SER 2 1HB SER 2 16.585 -10.074 -18.621 7 HB3 SER 2 2HB SER 2 15.643 -8.626 -18.977 8 HG SER 2 HG SER 2 17.173 -7.591 -17.413 9 H SER 3 H SER 3 16.476 -7.828 -15.188 10 HA SER 3 HA SER 3 14.194 -6.014 -15.039 11 HB2 SER 3 1HB SER 3 15.254 -5.141 -13.020 12 HB3 SER 3 2HB SER 3 15.173 -6.901 -12.942 13 HG SER 3 HG SER 3 17.293 -7.022 -13.088 14 H GLY 4 H GLY 4 14.171 -4.346 -16.391 15 HA2 GLY 4 1HA GLY 4 15.499 -2.133 -16.546 16 HA3 GLY 4 2HA GLY 4 16.731 -3.174 -17.243 17 H SER 5 H SER 5 13.489 -1.881 -17.685 18 HA SER 5 HA SER 5 13.875 -2.021 -20.572 19 HB2 SER 5 1HB SER 5 12.581 -4.085 -19.673 20 HB3 SER 5 2HB SER 5 11.249 -2.954 -19.440 21 HG SER 5 HG SER 5 11.787 -2.390 -21.770 22 H SER 6 H SER 6 12.572 -0.559 -21.754 23 HA SER 6 HA SER 6 12.028 1.869 -20.389 24 HB2 SER 6 1HB SER 6 11.324 1.007 -23.205 25 HB3 SER 6 2HB SER 6 11.195 2.656 -22.592 26 HG SER 6 HG SER 6 13.640 1.343 -22.300 27 H GLY 7 H GLY 7 10.494 1.217 -18.784 28 HA2 GLY 7 1HA GLY 7 7.846 0.423 -19.736 29 HA3 GLY 7 2HA GLY 7 8.376 0.471 -18.061 30 HA PRO 8 HA PRO 8 5.635 4.136 -18.878 31 HB2 PRO 8 1HB PRO 8 4.058 3.752 -16.702 32 HB3 PRO 8 2HB PRO 8 3.745 2.983 -18.262 33 HG2 PRO 8 1HG PRO 8 5.070 1.854 -15.826 34 HG3 PRO 8 2HG PRO 8 3.879 1.101 -16.902 35 HD2 PRO 8 1HD PRO 8 6.529 0.571 -17.064 36 HD3 PRO 8 2HD PRO 8 5.465 0.560 -18.485 37 H GLY 9 H GLY 9 7.782 3.051 -16.487 38 HA2 GLY 9 1HA GLY 9 9.221 4.395 -15.227 39 HA3 GLY 9 2HA GLY 9 8.189 5.777 -15.564 40 H ALA 10 H ALA 10 9.318 5.032 -13.025 41 HA ALA 10 HA ALA 10 6.930 4.230 -11.509 42 HB1 ALA 10 1HB ALA 10 9.492 3.302 -11.315 43 HB2 ALA 10 2HB ALA 10 9.430 4.496 -10.017 44 HB3 ALA 10 3HB ALA 10 8.264 3.173 -10.055 45 HA PRO 11 HA PRO 11 6.344 8.284 -9.921 46 HB2 PRO 11 1HB PRO 11 5.290 7.713 -7.484 47 HB3 PRO 11 2HB PRO 11 4.395 7.496 -8.993 48 HG2 PRO 11 1HG PRO 11 5.848 5.464 -7.343 49 HG3 PRO 11 2HG PRO 11 4.263 5.341 -8.129 50 HD2 PRO 11 1HD PRO 11 6.505 4.254 -9.190 51 HD3 PRO 11 2HD PRO 11 5.182 4.885 -10.193 52 H SER 12 H SER 12 7.047 9.780 -8.294 53 HA SER 12 HA SER 12 9.173 8.835 -6.512 54 HB2 SER 12 1HB SER 12 9.461 11.174 -8.413 55 HB3 SER 12 2HB SER 12 10.640 10.692 -7.193 56 HG SER 12 HG SER 12 10.366 8.535 -8.443 57 H THR 13 H THR 13 9.872 10.633 -4.994 58 HA THR 13 HA THR 13 9.311 12.010 -3.268 59 HB THR 13 HB THR 13 7.345 13.425 -5.035 60 HG1 THR 13 1HG THR 13 9.176 14.505 -5.979 61 HG21 THR 13 1HG2 THR 13 9.388 14.954 -3.627 62 HG22 THR 13 2HG2 THR 13 8.420 13.950 -2.547 63 HG23 THR 13 3HG2 THR 13 7.633 15.123 -3.602 64 H VAL 14 H VAL 14 7.976 9.655 -3.130 65 HA VAL 14 HA VAL 14 5.142 10.017 -2.878 66 HB VAL 14 HB VAL 14 6.910 7.772 -1.894 67 HG11 VAL 14 1HG1 VAL 14 5.125 6.779 -0.999 68 HG12 VAL 14 2HG1 VAL 14 4.316 8.342 -1.126 69 HG13 VAL 14 3HG1 VAL 14 4.123 7.141 -2.404 70 HG21 VAL 14 1HG2 VAL 14 5.069 7.441 -4.186 71 HG22 VAL 14 2HG2 VAL 14 6.516 8.410 -4.461 72 HG23 VAL 14 3HG2 VAL 14 6.664 6.745 -3.902 73 H ARG 15 H ARG 15 4.308 11.228 -1.311 74 HA ARG 15 HA ARG 15 5.586 11.199 1.338 75 HB2 ARG 15 1HB ARG 15 3.588 13.194 0.261 76 HB3 ARG 15 2HB ARG 15 4.503 13.319 1.758 77 HG2 ARG 15 1HG ARG 15 5.894 13.141 -0.886 78 HG3 ARG 15 2HG ARG 15 5.276 14.678 -0.276 79 HD2 ARG 15 1HD ARG 15 7.512 14.604 0.429 80 HD3 ARG 15 2HD ARG 15 6.571 14.167 1.855 81 HE ARG 15 HE ARG 15 7.336 11.850 0.418 82 HH11 ARG 15 2HH1 ARG 15 8.598 14.315 2.528 83 HH12 ARG 15 1HH1 ARG 15 9.853 13.308 3.169 84 HH21 ARG 15 2HH2 ARG 15 8.984 10.514 1.255 85 HH22 ARG 15 1HH2 ARG 15 10.072 11.146 2.444 86 H ILE 16 H ILE 16 4.283 11.029 3.219 87 HA ILE 16 HA ILE 16 1.560 10.012 2.798 88 HB ILE 16 HB ILE 16 3.594 8.712 4.613 89 HG12 ILE 16 1HG1 ILE 16 2.298 7.524 2.162 90 HG13 ILE 16 2HG1 ILE 16 3.849 8.352 2.100 91 HG21 ILE 16 1HG2 ILE 16 1.955 7.372 5.439 92 HG22 ILE 16 2HG2 ILE 16 0.979 8.798 5.090 93 HG23 ILE 16 3HG2 ILE 16 0.997 7.444 3.960 94 HD11 ILE 16 1HD1 ILE 16 4.481 6.155 2.295 95 HD12 ILE 16 2HD1 ILE 16 4.505 6.682 3.978 96 HD13 ILE 16 3HD1 ILE 16 3.139 5.751 3.365 97 H SER 17 H SER 17 0.152 11.072 4.013 98 HA SER 17 HA SER 17 1.106 12.315 6.511 99 HB2 SER 17 1HB SER 17 -0.714 13.321 4.363 100 HB3 SER 17 2HB SER 17 -0.993 13.848 6.022 101 HG SER 17 HG SER 17 1.152 14.609 6.068 102 H LYS 18 H LYS 18 -0.249 12.271 8.316 103 HA LYS 18 HA LYS 18 -1.879 9.948 8.549 104 HB2 LYS 18 1HB LYS 18 -0.467 11.239 10.346 105 HB3 LYS 18 2HB LYS 18 -1.946 12.167 10.559 106 HG2 LYS 18 1HG LYS 18 -2.173 10.530 12.155 107 HG3 LYS 18 2HG LYS 18 -3.066 9.838 10.799 108 HD2 LYS 18 1HD LYS 18 -1.253 8.404 10.232 109 HD3 LYS 18 2HD LYS 18 -0.164 9.239 11.342 110 HE2 LYS 18 1HE LYS 18 -2.642 7.785 12.241 111 HE3 LYS 18 2HE LYS 18 -1.059 7.017 12.136 112 HZ1 LYS 18 1HZ LYS 18 -1.203 9.524 13.613 113 HZ2 LYS 18 2HZ LYS 18 -0.297 8.131 13.930 114 HZ3 LYS 18 3HZ LYS 18 -1.940 8.181 14.334 115 H ASN 19 H ASN 19 -4.024 9.705 8.364 116 HA ASN 19 HA ASN 19 -5.608 12.097 7.733 117 HB2 ASN 19 1HB ASN 19 -5.393 10.044 6.140 118 HB3 ASN 19 2HB ASN 19 -6.543 9.287 7.238 119 HD21 ASN 19 1HD2 ASN 19 -8.395 9.261 6.165 120 HD22 ASN 19 2HD2 ASN 19 -9.147 10.631 5.427 121 H VAL 20 H VAL 20 -7.595 12.471 8.718 122 HA VAL 20 HA VAL 20 -7.809 11.793 11.432 123 HB VAL 20 HB VAL 20 -10.049 12.801 11.351 124 HG11 VAL 20 1HG1 VAL 20 -8.354 14.383 11.630 125 HG12 VAL 20 2HG1 VAL 20 -7.782 14.200 9.971 126 HG13 VAL 20 3HG1 VAL 20 -9.311 15.020 10.293 127 HG21 VAL 20 1HG2 VAL 20 -9.595 12.912 8.371 128 HG22 VAL 20 2HG2 VAL 20 -10.783 11.911 9.205 129 HG23 VAL 20 3HG2 VAL 20 -10.934 13.668 9.236 130 H ASP 21 H ASP 21 -8.806 10.126 8.604 131 HA ASP 21 HA ASP 21 -10.428 8.281 10.232 132 HB2 ASP 21 1HB ASP 21 -10.603 9.000 7.307 133 HB3 ASP 21 2HB ASP 21 -11.401 7.583 7.982 134 H GLY 22 H GLY 22 -7.433 8.598 9.041 135 HA2 GLY 22 1HA GLY 22 -6.499 6.094 9.483 136 HA3 GLY 22 2HA GLY 22 -7.092 5.998 7.832 137 H ILE 23 H ILE 23 -5.550 6.245 6.375 138 HA ILE 23 HA ILE 23 -3.435 8.225 6.887 139 HB ILE 23 HB ILE 23 -2.931 5.582 5.526 140 HG12 ILE 23 1HG1 ILE 23 -2.028 6.288 8.310 141 HG13 ILE 23 2HG1 ILE 23 -3.564 5.478 8.022 142 HG21 ILE 23 1HG2 ILE 23 -0.546 6.477 6.444 143 HG22 ILE 23 2HG2 ILE 23 -1.165 6.781 4.822 144 HG23 ILE 23 3HG2 ILE 23 -1.358 8.000 6.082 145 HD11 ILE 23 1HD1 ILE 23 -1.615 4.000 8.602 146 HD12 ILE 23 2HD1 ILE 23 -2.495 3.573 7.135 147 HD13 ILE 23 3HD1 ILE 23 -0.945 4.406 7.022 148 H HIS 24 H HIS 24 -2.866 9.488 5.188 149 HA HIS 24 HA HIS 24 -4.340 9.053 2.678 150 HB2 HIS 24 1HB HIS 24 -4.584 11.209 4.169 151 HB3 HIS 24 2HB HIS 24 -3.083 11.679 3.376 152 HD1 HIS 24 1HD HIS 24 -6.125 12.853 3.039 153 HD2 HIS 24 2HD HIS 24 -3.915 10.593 0.343 154 HE1 HIS 24 1HE HIS 24 -7.107 13.354 0.779 155 HE2 HIS 24 2HE HIS 24 -5.810 11.910 -0.826 156 H LEU 25 H LEU 25 -2.979 7.876 1.430 157 HA LEU 25 HA LEU 25 -0.155 8.428 1.321 158 HB2 LEU 25 1HB LEU 25 -1.494 6.183 0.963 159 HB3 LEU 25 2HB LEU 25 -1.529 6.738 -0.709 160 HG LEU 25 HG LEU 25 1.080 6.975 -0.297 161 HD11 LEU 25 1HD1 LEU 25 0.459 6.042 2.132 162 HD12 LEU 25 2HD1 LEU 25 1.998 5.712 1.337 163 HD13 LEU 25 3HD1 LEU 25 0.707 4.512 1.290 164 HD21 LEU 25 1HD2 LEU 25 -0.125 4.258 -0.758 165 HD22 LEU 25 2HD2 LEU 25 1.366 4.922 -1.428 166 HD23 LEU 25 3HD2 LEU 25 -0.196 5.552 -1.955 167 H SER 26 H SER 26 0.954 9.528 -0.209 168 HA SER 26 HA SER 26 -0.488 10.515 -2.562 169 HB2 SER 26 1HB SER 26 -0.385 12.198 -0.573 170 HB3 SER 26 2HB SER 26 1.305 12.385 -1.040 171 HG SER 26 HG SER 26 0.579 12.966 -3.130 172 H TRP 27 H TRP 27 0.979 11.413 -4.218 173 HA TRP 27 HA TRP 27 3.783 10.961 -4.072 174 HB2 TRP 27 1HB TRP 27 3.958 9.118 -5.667 175 HB3 TRP 27 2HB TRP 27 3.043 8.617 -4.247 176 HD1 TRP 27 HD TRP 27 2.518 9.546 -7.949 177 HE1 TRP 27 1HE TRP 27 0.307 8.491 -8.739 178 HE3 TRP 27 3HE TRP 27 0.849 7.713 -3.477 179 HZ2 TRP 27 2HZ TRP 27 -1.858 7.071 -7.615 180 HZ3 TRP 27 3HZ TRP 27 -1.302 6.519 -3.421 181 HH2 TRP 27 HH TRP 27 -2.626 6.206 -5.448 182 H GLU 28 H GLU 28 4.600 10.829 -6.573 183 HA GLU 28 HA GLU 28 3.071 12.866 -8.051 184 HB2 GLU 28 1HB GLU 28 6.036 12.754 -7.522 185 HB3 GLU 28 2HB GLU 28 5.350 13.713 -8.826 186 HG2 GLU 28 1HG GLU 28 4.363 14.050 -6.028 187 HG3 GLU 28 2HG GLU 28 5.856 14.827 -6.551 188 HA PRO 29 HA PRO 29 3.383 10.287 -11.586 189 HB2 PRO 29 1HB PRO 29 3.549 12.122 -13.580 190 HB3 PRO 29 2HB PRO 29 2.061 11.816 -12.677 191 HG2 PRO 29 1HG PRO 29 4.074 14.003 -12.326 192 HG3 PRO 29 2HG PRO 29 2.304 14.098 -12.299 193 HD2 PRO 29 1HD PRO 29 3.796 14.059 -10.040 194 HD3 PRO 29 2HD PRO 29 2.173 13.347 -10.123 195 HA PRO 30 HA PRO 30 7.632 9.702 -12.606 196 HB2 PRO 30 1HB PRO 30 7.356 8.252 -14.885 197 HB3 PRO 30 2HB PRO 30 7.031 7.588 -13.279 198 HG2 PRO 30 1HG PRO 30 5.109 8.642 -15.318 199 HG3 PRO 30 2HG PRO 30 4.982 7.193 -14.303 200 HD2 PRO 30 1HD PRO 30 3.692 9.500 -13.716 201 HD3 PRO 30 2HD PRO 30 4.281 8.390 -12.462 202 H THR 31 H THR 31 8.629 11.564 -13.190 203 HA THR 31 HA THR 31 7.925 13.092 -15.487 204 HB THR 31 HB THR 31 8.982 14.141 -13.541 205 HG1 THR 31 1HG THR 31 10.974 14.559 -15.406 206 HG21 THR 31 1HG2 THR 31 11.646 13.040 -14.295 207 HG22 THR 31 2HG2 THR 31 10.573 12.042 -13.314 208 HG23 THR 31 3HG2 THR 31 11.070 13.633 -12.738 209 H SER 32 H SER 32 8.014 11.134 -16.942 210 HA SER 32 HA SER 32 10.620 11.098 -18.269 211 HB2 SER 32 1HB SER 32 9.219 8.743 -17.092 212 HB3 SER 32 2HB SER 32 10.047 8.524 -18.633 213 HG SER 32 HG SER 32 11.954 8.996 -17.693 214 HA PRO 33 HA PRO 33 8.313 11.364 -21.990 215 HB2 PRO 33 1HB PRO 33 9.832 9.909 -23.706 216 HB3 PRO 33 2HB PRO 33 10.318 11.498 -23.103 217 HG2 PRO 33 1HG PRO 33 11.164 8.780 -22.176 218 HG3 PRO 33 2HG PRO 33 12.150 10.231 -22.432 219 HD2 PRO 33 1HD PRO 33 11.323 9.446 -19.976 220 HD3 PRO 33 2HD PRO 33 11.542 11.154 -20.409 221 H SER 34 H SER 34 8.413 8.584 -20.234 222 HA SER 34 HA SER 34 7.742 6.413 -21.621 223 HB2 SER 34 1HB SER 34 6.101 5.822 -19.859 224 HB3 SER 34 2HB SER 34 7.592 6.482 -19.186 225 HG SER 34 HG SER 34 5.112 7.815 -19.528 226 H GLY 35 H GLY 35 6.106 5.597 -22.860 227 HA2 GLY 35 1HA GLY 35 4.701 7.026 -24.627 228 HA3 GLY 35 2HA GLY 35 4.055 5.534 -23.959 229 H ASN 36 H ASN 36 2.485 5.618 -22.342 230 HA ASN 36 HA ASN 36 1.493 8.255 -21.559 231 HB2 ASN 36 1HB ASN 36 -0.883 7.227 -22.027 232 HB3 ASN 36 2HB ASN 36 0.026 7.991 -23.328 233 HD21 ASN 36 1HD2 ASN 36 1.160 6.632 -24.810 234 HD22 ASN 36 2HD2 ASN 36 0.614 5.019 -25.101 235 H ILE 37 H ILE 37 -0.433 7.930 -19.976 236 HA ILE 37 HA ILE 37 0.020 5.567 -18.291 237 HB ILE 37 HB ILE 37 -0.144 8.403 -17.266 238 HG12 ILE 37 1HG1 ILE 37 2.038 7.811 -18.282 239 HG13 ILE 37 2HG1 ILE 37 2.158 8.085 -16.548 240 HG21 ILE 37 1HG2 ILE 37 -0.346 7.620 -15.153 241 HG22 ILE 37 2HG2 ILE 37 -1.104 6.261 -15.980 242 HG23 ILE 37 3HG2 ILE 37 0.586 6.161 -15.487 243 HD11 ILE 37 1HD1 ILE 37 3.016 6.072 -16.247 244 HD12 ILE 37 2HD1 ILE 37 1.648 5.316 -17.065 245 HD13 ILE 37 3HD1 ILE 37 3.039 5.867 -17.999 246 H LEU 38 H LEU 38 -1.922 4.627 -18.796 247 HA LEU 38 HA LEU 38 -4.384 5.887 -19.076 248 HB2 LEU 38 1HB LEU 38 -3.848 3.113 -18.027 249 HB3 LEU 38 2HB LEU 38 -5.382 3.696 -18.670 250 HG LEU 38 HG LEU 38 -2.907 3.671 -20.365 251 HD11 LEU 38 1HD1 LEU 38 -3.979 1.380 -19.205 252 HD12 LEU 38 2HD1 LEU 38 -2.904 1.463 -20.600 253 HD13 LEU 38 3HD1 LEU 38 -4.652 1.423 -20.835 254 HD21 LEU 38 1HD2 LEU 38 -4.886 3.175 -22.035 255 HD22 LEU 38 2HD2 LEU 38 -4.511 4.820 -21.519 256 HD23 LEU 38 3HD2 LEU 38 -5.842 3.940 -20.765 257 H GLU 39 H GLU 39 -3.458 3.924 -16.245 258 HA GLU 39 HA GLU 39 -4.536 5.959 -14.466 259 HB2 GLU 39 1HB GLU 39 -5.792 3.304 -14.951 260 HB3 GLU 39 2HB GLU 39 -5.745 3.891 -13.295 261 HG2 GLU 39 1HG GLU 39 -7.168 5.633 -13.721 262 HG3 GLU 39 2HG GLU 39 -6.739 5.708 -15.429 263 H TYR 40 H TYR 40 -4.265 5.215 -12.114 264 HA TYR 40 HA TYR 40 -1.653 3.879 -11.892 265 HB2 TYR 40 1HB TYR 40 -2.970 6.025 -10.241 266 HB3 TYR 40 2HB TYR 40 -1.607 5.095 -9.628 267 HD1 TYR 40 1HD TYR 40 0.587 5.199 -10.855 268 HD2 TYR 40 2HD TYR 40 -2.644 7.820 -11.743 269 HE1 TYR 40 1HE TYR 40 2.146 6.725 -11.990 270 HE2 TYR 40 2HE TYR 40 -1.095 9.354 -12.882 271 HH TYR 40 HH TYR 40 1.358 9.880 -12.810 272 H SER 41 H SER 41 -1.276 2.673 -9.860 273 HA SER 41 HA SER 41 -3.639 1.634 -8.527 274 HB2 SER 41 1HB SER 41 -3.351 0.208 -10.557 275 HB3 SER 41 2HB SER 41 -1.747 -0.235 -9.973 276 HG SER 41 HG SER 41 -3.140 -0.776 -7.955 277 H ALA 42 H ALA 42 -3.190 1.589 -6.437 278 HA ALA 42 HA ALA 42 -0.388 1.345 -5.590 279 HB1 ALA 42 1HB ALA 42 -0.926 3.126 -4.365 280 HB2 ALA 42 2HB ALA 42 -2.651 2.905 -4.661 281 HB3 ALA 42 3HB ALA 42 -1.861 2.026 -3.352 282 H TYR 43 H TYR 43 0.251 -0.143 -4.046 283 HA TYR 43 HA TYR 43 -1.743 -2.150 -3.242 284 HB2 TYR 43 1HB TYR 43 1.063 -2.776 -4.179 285 HB3 TYR 43 2HB TYR 43 -0.154 -3.941 -3.672 286 HD1 TYR 43 2HD TYR 43 0.130 -1.120 -6.117 287 HD2 TYR 43 1HD TYR 43 -1.218 -5.084 -5.361 288 HE1 TYR 43 2HE TYR 43 -0.670 -1.284 -8.436 289 HE2 TYR 43 1HE TYR 43 -2.021 -5.259 -7.679 290 HH TYR 43 HH TYR 43 -2.020 -4.296 -9.706 291 H LEU 44 H LEU 44 -1.149 -3.394 -1.345 292 HA LEU 44 HA LEU 44 0.825 -2.039 0.369 293 HB2 LEU 44 1HB LEU 44 -1.335 -1.327 1.104 294 HB3 LEU 44 2HB LEU 44 -1.945 -2.980 1.080 295 HG LEU 44 HG LEU 44 -0.294 -3.477 2.934 296 HD11 LEU 44 1HD1 LEU 44 0.429 -1.512 4.255 297 HD12 LEU 44 2HD1 LEU 44 -0.117 -0.469 2.943 298 HD13 LEU 44 3HD1 LEU 44 1.198 -1.611 2.671 299 HD21 LEU 44 1HD2 LEU 44 -2.198 -1.382 3.859 300 HD22 LEU 44 2HD2 LEU 44 -1.862 -2.979 4.529 301 HD23 LEU 44 3HD2 LEU 44 -2.836 -2.823 3.066 302 H ALA 45 H ALA 45 2.383 -3.381 0.959 303 HA ALA 45 HA ALA 45 2.492 -6.094 0.445 304 HB1 ALA 45 1HB ALA 45 4.178 -4.184 1.596 305 HB2 ALA 45 2HB ALA 45 4.043 -5.477 2.788 306 HB3 ALA 45 3HB ALA 45 4.583 -5.842 1.149 307 H ILE 46 H ILE 46 1.561 -7.821 1.317 308 HA ILE 46 HA ILE 46 0.638 -7.682 4.107 309 HB ILE 46 HB ILE 46 -1.359 -9.013 3.471 310 HG12 ILE 46 1HG1 ILE 46 -0.895 -8.198 0.622 311 HG13 ILE 46 2HG1 ILE 46 -0.189 -9.692 1.230 312 HG21 ILE 46 1HG2 ILE 46 -0.863 -6.222 2.665 313 HG22 ILE 46 2HG2 ILE 46 -2.323 -6.966 2.014 314 HG23 ILE 46 3HG2 ILE 46 -2.074 -6.892 3.758 315 HD11 ILE 46 1HD1 ILE 46 -2.286 -10.142 0.135 316 HD12 ILE 46 2HD1 ILE 46 -2.434 -10.462 1.864 317 HD13 ILE 46 3HD1 ILE 46 -3.113 -8.985 1.179 318 H ARG 47 H ARG 47 0.278 -9.816 5.088 319 HA ARG 47 HA ARG 47 1.939 -11.914 3.858 320 HB2 ARG 47 1HB ARG 47 2.790 -12.506 6.066 321 HB3 ARG 47 2HB ARG 47 3.167 -10.831 5.687 322 HG2 ARG 47 1HG ARG 47 2.450 -10.572 7.823 323 HG3 ARG 47 2HG ARG 47 0.903 -10.408 6.989 324 HD2 ARG 47 1HD ARG 47 0.329 -11.940 8.585 325 HD3 ARG 47 2HD ARG 47 0.852 -13.025 7.297 326 HE ARG 47 HE ARG 47 2.561 -13.708 8.642 327 HH11 ARG 47 2HH1 ARG 47 1.395 -10.638 9.796 328 HH12 ARG 47 1HH1 ARG 47 2.398 -10.640 11.209 329 HH21 ARG 47 2HH2 ARG 47 3.887 -13.723 10.499 330 HH22 ARG 47 1HH2 ARG 47 3.816 -12.395 11.607 331 H THR 48 H THR 48 1.371 -14.077 4.363 332 HA THR 48 HA THR 48 -0.975 -14.651 5.922 333 HB THR 48 HB THR 48 -2.064 -13.879 3.879 334 HG1 THR 48 1HG THR 48 -3.142 -15.560 4.852 335 HG21 THR 48 1HG2 THR 48 -0.025 -14.555 2.440 336 HG22 THR 48 2HG2 THR 48 -1.638 -14.718 1.744 337 HG23 THR 48 3HG2 THR 48 -0.798 -16.138 2.366 338 H ALA 49 H ALA 49 -0.434 -16.460 6.933 339 HA ALA 49 HA ALA 49 0.380 -18.538 7.378 340 HB1 ALA 49 1HB ALA 49 -0.355 -20.088 5.954 341 HB2 ALA 49 2HB ALA 49 -0.919 -18.746 4.957 342 HB3 ALA 49 3HB ALA 49 0.653 -19.479 4.641 343 H GLN 50 H GLN 50 2.229 -16.369 6.950 344 HA GLN 50 HA GLN 50 4.538 -17.759 5.779 345 HB2 GLN 50 1HB GLN 50 4.051 -14.836 6.353 346 HB3 GLN 50 2HB GLN 50 5.607 -15.477 5.841 347 HG2 GLN 50 1HG GLN 50 3.198 -16.065 4.198 348 HG3 GLN 50 2HG GLN 50 3.925 -14.462 4.113 349 HE21 GLN 50 1HE2 GLN 50 6.283 -14.421 3.685 350 HE22 GLN 50 2HE2 GLN 50 6.921 -15.584 2.578 351 H MET 51 H MET 51 4.847 -19.094 7.637 352 HA MET 51 HA MET 51 5.802 -17.673 10.028 353 HB2 MET 51 1HB MET 51 4.812 -20.502 9.661 354 HB3 MET 51 2HB MET 51 5.552 -19.917 11.145 355 HG2 MET 51 1HG MET 51 3.312 -19.706 11.605 356 HG3 MET 51 2HG MET 51 3.728 -18.088 11.046 357 HE1 MET 51 1HE MET 51 0.496 -18.561 10.805 358 HE2 MET 51 2HE MET 51 1.656 -17.250 10.587 359 HE3 MET 51 3HE MET 51 0.560 -17.686 9.275 360 H GLN 52 H GLN 52 7.933 -17.382 9.990 361 HA GLN 52 HA GLN 52 10.163 -17.734 9.696 362 HB2 GLN 52 1HB GLN 52 9.363 -19.623 11.335 363 HB3 GLN 52 2HB GLN 52 9.719 -20.680 9.976 364 HG2 GLN 52 1HG GLN 52 11.653 -20.677 11.295 365 HG3 GLN 52 2HG GLN 52 12.015 -19.624 9.928 366 HE21 GLN 52 1HE2 GLN 52 12.138 -19.931 13.225 367 HE22 GLN 52 2HE2 GLN 52 12.360 -18.271 13.649 368 H ASP 53 H ASP 53 8.858 -17.474 7.318 369 HA ASP 53 HA ASP 53 9.836 -19.616 5.579 370 HB2 ASP 53 1HB ASP 53 7.657 -19.123 4.944 371 HB3 ASP 53 2HB ASP 53 7.848 -17.400 5.256 372 H ASN 54 H ASN 54 10.961 -19.026 3.576 373 HA ASN 54 HA ASN 54 13.221 -17.424 4.088 374 HB2 ASN 54 1HB ASN 54 13.793 -17.823 1.723 375 HB3 ASN 54 2HB ASN 54 13.294 -19.306 2.529 376 HD21 ASN 54 1HD2 ASN 54 11.898 -20.518 1.484 377 HD22 ASN 54 2HD2 ASN 54 10.817 -19.989 0.245 378 HA PRO 55 HA PRO 55 11.835 -13.382 3.035 379 HB2 PRO 55 1HB PRO 55 14.219 -12.261 2.381 380 HB3 PRO 55 2HB PRO 55 13.753 -12.623 4.047 381 HG2 PRO 55 1HG PRO 55 15.507 -14.183 2.188 382 HG3 PRO 55 2HG PRO 55 15.738 -13.827 3.910 383 HD2 PRO 55 1HD PRO 55 14.802 -16.210 3.028 384 HD3 PRO 55 2HD PRO 55 14.303 -15.503 4.578 385 H SER 56 H SER 56 10.694 -13.066 1.226 386 HA SER 56 HA SER 56 12.129 -13.059 -1.337 387 HB2 SER 56 1HB SER 56 10.739 -15.175 -0.974 388 HB3 SER 56 2HB SER 56 9.320 -14.133 -1.079 389 HG SER 56 HG SER 56 10.578 -13.430 -3.141 390 H GLN 57 H GLN 57 11.272 -11.654 -2.927 391 HA GLN 57 HA GLN 57 10.635 -9.147 -2.290 392 HB2 GLN 57 1HB GLN 57 10.887 -10.239 -4.622 393 HB3 GLN 57 2HB GLN 57 9.138 -10.411 -4.568 394 HG2 GLN 57 1HG GLN 57 8.790 -8.106 -4.576 395 HG3 GLN 57 2HG GLN 57 10.454 -7.762 -4.104 396 HE21 GLN 57 1HE2 GLN 57 10.016 -6.271 -6.015 397 HE22 GLN 57 2HE2 GLN 57 10.477 -6.873 -7.568 398 H LEU 58 H LEU 58 9.318 -8.787 -0.551 399 HA LEU 58 HA LEU 58 7.051 -9.880 0.315 400 HB2 LEU 58 1HB LEU 58 7.944 -7.060 0.168 401 HB3 LEU 58 2HB LEU 58 6.262 -7.345 0.611 402 HG LEU 58 HG LEU 58 8.475 -8.731 2.078 403 HD11 LEU 58 1HD1 LEU 58 8.775 -6.169 1.934 404 HD12 LEU 58 2HD1 LEU 58 8.836 -6.950 3.513 405 HD13 LEU 58 3HD1 LEU 58 7.373 -6.108 3.002 406 HD21 LEU 58 1HD2 LEU 58 6.740 -9.553 3.189 407 HD22 LEU 58 2HD2 LEU 58 5.622 -8.556 2.258 408 HD23 LEU 58 3HD2 LEU 58 6.353 -7.920 3.732 409 H VAL 59 H VAL 59 4.961 -10.134 -0.254 410 HA VAL 59 HA VAL 59 4.218 -9.421 -2.968 411 HB VAL 59 HB VAL 59 2.717 -11.012 -0.882 412 HG11 VAL 59 1HG1 VAL 59 1.810 -11.654 -3.448 413 HG12 VAL 59 2HG1 VAL 59 0.937 -10.772 -2.193 414 HG13 VAL 59 3HG1 VAL 59 1.879 -9.893 -3.398 415 HG21 VAL 59 1HG2 VAL 59 3.857 -12.221 -3.343 416 HG22 VAL 59 2HG2 VAL 59 4.966 -11.818 -2.032 417 HG23 VAL 59 3HG2 VAL 59 3.622 -12.922 -1.742 418 H PHE 60 H PHE 60 2.682 -7.974 -3.560 419 HA PHE 60 HA PHE 60 1.452 -6.393 -1.400 420 HB2 PHE 60 1HB PHE 60 1.887 -5.374 -4.196 421 HB3 PHE 60 2HB PHE 60 1.630 -4.453 -2.718 422 HD1 PHE 60 2HD PHE 60 3.484 -4.765 -0.884 423 HD2 PHE 60 1HD PHE 60 4.018 -5.562 -5.031 424 HE1 PHE 60 2HE PHE 60 5.917 -4.521 -0.614 425 HE2 PHE 60 1HE PHE 60 6.453 -5.320 -4.767 426 HZ PHE 60 HZ PHE 60 7.405 -4.798 -2.557 427 H MET 61 H MET 61 -0.687 -5.602 -1.725 428 HA MET 61 HA MET 61 -2.221 -7.059 -3.774 429 HB2 MET 61 1HB MET 61 -3.926 -7.592 -2.250 430 HB3 MET 61 2HB MET 61 -2.439 -7.937 -1.377 431 HG2 MET 61 1HG MET 61 -2.630 -5.957 -0.091 432 HG3 MET 61 2HG MET 61 -3.934 -5.347 -1.107 433 HE1 MET 61 1HE MET 61 -4.085 -5.053 1.619 434 HE2 MET 61 2HE MET 61 -5.832 -5.167 1.410 435 HE3 MET 61 3HE MET 61 -5.021 -6.167 2.616 436 H ARG 62 H ARG 62 -3.761 -5.923 -4.853 437 HA ARG 62 HA ARG 62 -3.603 -3.130 -4.947 438 HB2 ARG 62 1HB ARG 62 -4.428 -4.626 -6.781 439 HB3 ARG 62 2HB ARG 62 -5.923 -4.826 -5.877 440 HG2 ARG 62 1HG ARG 62 -6.448 -2.504 -6.101 441 HG3 ARG 62 2HG ARG 62 -4.869 -2.170 -6.816 442 HD2 ARG 62 1HD ARG 62 -6.192 -2.282 -8.693 443 HD3 ARG 62 2HD ARG 62 -5.620 -3.946 -8.579 444 HE ARG 62 HE ARG 62 -8.086 -3.553 -7.195 445 HH11 ARG 62 2HH1 ARG 62 -6.675 -4.068 -10.336 446 HH12 ARG 62 1HH1 ARG 62 -8.102 -4.790 -11.003 447 HH21 ARG 62 2HH2 ARG 62 -9.970 -4.502 -8.062 448 HH22 ARG 62 1HH2 ARG 62 -9.976 -5.035 -9.708 449 H ILE 63 H ILE 63 -4.335 -1.661 -3.573 450 HA ILE 63 HA ILE 63 -6.681 -2.326 -1.918 451 HB ILE 63 HB ILE 63 -5.829 -0.829 -0.208 452 HG12 ILE 63 1HG1 ILE 63 -3.332 -0.503 -1.875 453 HG13 ILE 63 2HG1 ILE 63 -4.641 0.674 -1.879 454 HG21 ILE 63 1HG2 ILE 63 -3.374 -2.174 -0.252 455 HG22 ILE 63 2HG2 ILE 63 -4.855 -2.668 0.567 456 HG23 ILE 63 3HG2 ILE 63 -4.520 -3.237 -1.068 457 HD11 ILE 63 1HD1 ILE 63 -2.466 0.481 -0.102 458 HD12 ILE 63 2HD1 ILE 63 -3.805 1.630 -0.074 459 HD13 ILE 63 3HD1 ILE 63 -3.925 0.112 0.817 460 H TYR 64 H TYR 64 -5.437 -0.270 -4.308 461 HA TYR 64 HA TYR 64 -7.860 1.332 -4.241 462 HB2 TYR 64 1HB TYR 64 -6.557 2.794 -2.944 463 HB3 TYR 64 2HB TYR 64 -5.099 2.468 -3.874 464 HD1 TYR 64 1HD TYR 64 -8.349 4.223 -3.918 465 HD2 TYR 64 2HD TYR 64 -4.581 3.723 -5.829 466 HE1 TYR 64 1HE TYR 64 -8.785 6.219 -5.287 467 HE2 TYR 64 2HE TYR 64 -5.006 5.718 -7.203 468 HH TYR 64 HH TYR 64 -6.361 7.731 -7.157 469 H CYS 65 H CYS 65 -8.590 1.749 -6.237 470 HA CYS 65 HA CYS 65 -6.727 1.390 -8.491 471 HB2 CYS 65 1HB CYS 65 -8.316 -0.518 -8.223 472 HB3 CYS 65 2HB CYS 65 -9.648 0.608 -8.458 473 HG CYS 65 HG CYS 65 -9.452 -0.689 -10.845 474 H GLY 66 H GLY 66 -6.356 3.518 -8.950 475 HA2 GLY 66 1HA GLY 66 -8.513 4.941 -10.248 476 HA3 GLY 66 2HA GLY 66 -7.931 5.706 -8.777 477 H LEU 67 H LEU 67 -7.407 7.487 -10.251 478 HA LEU 67 HA LEU 67 -4.796 7.051 -11.543 479 HB2 LEU 67 1HB LEU 67 -5.456 8.942 -13.073 480 HB3 LEU 67 2HB LEU 67 -6.298 7.413 -13.314 481 HG LEU 67 HG LEU 67 -7.516 9.623 -11.688 482 HD11 LEU 67 1HD1 LEU 67 -7.036 10.686 -13.762 483 HD12 LEU 67 2HD1 LEU 67 -8.742 10.244 -13.780 484 HD13 LEU 67 3HD1 LEU 67 -7.572 9.278 -14.678 485 HD21 LEU 67 1HD2 LEU 67 -9.495 8.306 -13.010 486 HD22 LEU 67 2HD2 LEU 67 -8.953 7.931 -11.374 487 HD23 LEU 67 3HD2 LEU 67 -8.326 7.012 -12.744 488 H LYS 68 H LYS 68 -6.673 8.844 -9.321 489 HA LYS 68 HA LYS 68 -5.395 11.297 -9.209 490 HB2 LYS 68 1HB LYS 68 -7.392 10.232 -7.817 491 HB3 LYS 68 2HB LYS 68 -6.111 9.954 -6.644 492 HG2 LYS 68 1HG LYS 68 -6.367 12.668 -7.822 493 HG3 LYS 68 2HG LYS 68 -7.558 12.154 -6.625 494 HD2 LYS 68 1HD LYS 68 -5.908 11.840 -4.970 495 HD3 LYS 68 2HD LYS 68 -4.598 11.906 -6.152 496 HE2 LYS 68 1HE LYS 68 -6.423 14.232 -5.584 497 HE3 LYS 68 2HE LYS 68 -4.910 13.966 -4.720 498 HZ1 LYS 68 1HZ LYS 68 -5.347 14.998 -7.361 499 HZ2 LYS 68 2HZ LYS 68 -4.190 13.764 -7.327 500 HZ3 LYS 68 3HZ LYS 68 -3.992 15.137 -6.358 501 H THR 69 H THR 69 -3.642 12.112 -8.053 502 HA THR 69 HA THR 69 -1.473 10.233 -7.686 503 HB THR 69 HB THR 69 -0.095 12.248 -7.243 504 HG1 THR 69 1HG THR 69 -1.324 14.286 -7.810 505 HG21 THR 69 1HG2 THR 69 -1.751 12.735 -9.704 506 HG22 THR 69 2HG2 THR 69 -0.672 11.346 -9.576 507 HG23 THR 69 3HG2 THR 69 -0.021 12.982 -9.471 508 H SER 70 H SER 70 -3.774 10.232 -5.814 509 HA SER 70 HA SER 70 -2.300 9.937 -3.399 510 HB2 SER 70 1HB SER 70 -2.958 11.755 -2.139 511 HB3 SER 70 2HB SER 70 -2.826 12.512 -3.726 512 HG SER 70 HG SER 70 -4.813 12.962 -2.568 513 H CYS 71 H CYS 71 -3.283 8.467 -2.152 514 HA CYS 71 HA CYS 71 -6.171 8.032 -2.513 515 HB2 CYS 71 1HB CYS 71 -5.877 5.654 -2.552 516 HB3 CYS 71 2HB CYS 71 -4.795 6.339 -3.758 517 HG CYS 71 HG CYS 71 -4.090 4.386 -1.219 518 H THR 72 H THR 72 -7.076 6.621 -0.724 519 HA THR 72 HA THR 72 -5.784 7.332 1.830 520 HB THR 72 HB THR 72 -8.752 6.996 1.370 521 HG1 THR 72 1HG THR 72 -7.250 9.401 1.682 522 HG21 THR 72 1HG2 THR 72 -8.946 8.052 3.577 523 HG22 THR 72 2HG2 THR 72 -7.188 8.099 3.708 524 HG23 THR 72 3HG2 THR 72 -8.028 6.549 3.661 525 H VAL 73 H VAL 73 -5.549 5.777 3.360 526 HA VAL 73 HA VAL 73 -6.494 3.074 2.658 527 HB VAL 73 HB VAL 73 -4.053 3.806 4.281 528 HG11 VAL 73 1HG1 VAL 73 -3.752 1.624 4.749 529 HG12 VAL 73 2HG1 VAL 73 -5.493 1.523 4.474 530 HG13 VAL 73 3HG1 VAL 73 -4.368 1.095 3.184 531 HG21 VAL 73 1HG2 VAL 73 -2.907 3.945 2.384 532 HG22 VAL 73 2HG2 VAL 73 -3.480 2.353 1.885 533 HG23 VAL 73 3HG2 VAL 73 -4.418 3.793 1.486 534 H THR 74 H THR 74 -7.703 1.987 4.093 535 HA THR 74 HA THR 74 -8.459 3.355 6.549 536 HB THR 74 HB THR 74 -10.176 1.537 6.733 537 HG1 THR 74 1HG THR 74 -9.303 -0.124 5.560 538 HG21 THR 74 1HG2 THR 74 -11.234 3.294 5.782 539 HG22 THR 74 2HG2 THR 74 -11.206 2.277 4.341 540 HG23 THR 74 3HG2 THR 74 -9.979 3.523 4.565 541 H ALA 75 H ALA 75 -8.678 2.112 8.567 542 HA ALA 75 HA ALA 75 -6.251 0.887 9.298 543 HB1 ALA 75 1HB ALA 75 -7.885 0.143 11.306 544 HB2 ALA 75 2HB ALA 75 -7.177 1.753 11.163 545 HB3 ALA 75 3HB ALA 75 -8.826 1.462 10.609 546 H GLY 76 H GLY 76 -9.481 -0.482 8.701 547 HA2 GLY 76 1HA GLY 76 -9.151 -3.095 9.365 548 HA3 GLY 76 2HA GLY 76 -10.058 -2.588 7.948 549 H GLN 77 H GLN 77 -7.887 -1.535 6.457 550 HA GLN 77 HA GLN 77 -6.836 -4.000 5.403 551 HB2 GLN 77 1HB GLN 77 -6.532 -1.114 4.579 552 HB3 GLN 77 2HB GLN 77 -5.719 -2.433 3.747 553 HG2 GLN 77 1HG GLN 77 -7.710 -3.321 2.943 554 HG3 GLN 77 2HG GLN 77 -8.685 -2.456 4.130 555 HE21 GLN 77 1HE2 GLN 77 -7.554 -2.489 0.982 556 HE22 GLN 77 2HE2 GLN 77 -7.985 -0.878 0.532 557 H LEU 78 H LEU 78 -5.581 -1.201 7.136 558 HA LEU 78 HA LEU 78 -2.857 -1.647 6.891 559 HB2 LEU 78 1HB LEU 78 -4.502 -0.485 9.117 560 HB3 LEU 78 2HB LEU 78 -2.744 -0.564 9.202 561 HG LEU 78 HG LEU 78 -4.266 0.877 7.035 562 HD11 LEU 78 1HD1 LEU 78 -4.266 2.787 8.240 563 HD12 LEU 78 2HD1 LEU 78 -2.782 2.377 9.099 564 HD13 LEU 78 3HD1 LEU 78 -4.314 1.659 9.596 565 HD21 LEU 78 1HD2 LEU 78 -2.280 1.426 6.138 566 HD22 LEU 78 2HD2 LEU 78 -1.701 -0.001 6.997 567 HD23 LEU 78 3HD2 LEU 78 -1.500 1.600 7.710 568 H ALA 79 H ALA 79 -5.201 -3.173 9.017 569 HA ALA 79 HA ALA 79 -3.486 -4.463 10.789 570 HB1 ALA 79 1HB ALA 79 -5.332 -5.505 11.549 571 HB2 ALA 79 2HB ALA 79 -6.165 -4.366 10.492 572 HB3 ALA 79 3HB ALA 79 -5.843 -6.009 9.938 573 H ASN 80 H ASN 80 -4.295 -5.209 7.478 574 HA ASN 80 HA ASN 80 -3.087 -7.840 7.585 575 HB2 ASN 80 1HB ASN 80 -4.084 -6.268 5.198 576 HB3 ASN 80 2HB ASN 80 -3.657 -7.977 5.212 577 HD21 ASN 80 1HD2 ASN 80 -5.964 -5.587 6.252 578 HD22 ASN 80 2HD2 ASN 80 -7.232 -6.694 6.643 579 H ALA 81 H ALA 81 -2.063 -4.643 7.094 580 HA ALA 81 HA ALA 81 0.006 -4.938 5.236 581 HB1 ALA 81 1HB ALA 81 0.614 -2.815 5.787 582 HB2 ALA 81 2HB ALA 81 -1.003 -2.831 6.492 583 HB3 ALA 81 3HB ALA 81 0.409 -3.085 7.518 584 H HIS 82 H HIS 82 1.937 -5.891 5.311 585 HA HIS 82 HA HIS 82 2.715 -7.388 7.624 586 HB2 HIS 82 1HB HIS 82 3.254 -8.445 5.608 587 HB3 HIS 82 2HB HIS 82 3.888 -6.966 4.891 588 HD1 HIS 82 1HD HIS 82 4.879 -9.933 6.831 589 HD2 HIS 82 2HD HIS 82 6.513 -6.251 5.814 590 HE1 HIS 82 1HE HIS 82 7.336 -10.126 7.332 591 HE2 HIS 82 2HE HIS 82 8.289 -7.859 6.789 592 H ILE 83 H ILE 83 3.959 -6.751 9.254 593 HA ILE 83 HA ILE 83 5.366 -4.191 9.027 594 HB ILE 83 HB ILE 83 4.655 -5.828 11.463 595 HG12 ILE 83 1HG1 ILE 83 2.677 -4.818 10.667 596 HG13 ILE 83 2HG1 ILE 83 3.255 -3.730 11.924 597 HG21 ILE 83 1HG2 ILE 83 6.173 -4.678 12.599 598 HG22 ILE 83 2HG2 ILE 83 6.667 -3.852 11.123 599 HG23 ILE 83 3HG2 ILE 83 5.386 -3.173 12.126 600 HD11 ILE 83 1HD1 ILE 83 3.375 -3.371 8.951 601 HD12 ILE 83 2HD1 ILE 83 2.577 -2.357 10.154 602 HD13 ILE 83 3HD1 ILE 83 4.337 -2.397 10.062 603 H ASP 84 H ASP 84 7.506 -4.093 8.880 604 HA ASP 84 HA ASP 84 9.049 -6.556 9.250 605 HB2 ASP 84 1HB ASP 84 9.403 -5.575 7.103 606 HB3 ASP 84 2HB ASP 84 9.646 -3.976 7.802 607 H TYR 85 H TYR 85 9.397 -6.654 11.437 608 HA TYR 85 HA TYR 85 10.338 -4.355 12.904 609 HB2 TYR 85 1HB TYR 85 9.649 -7.182 13.576 610 HB3 TYR 85 2HB TYR 85 10.671 -6.279 14.688 611 HD1 TYR 85 1HD TYR 85 9.786 -4.050 15.572 612 HD2 TYR 85 2HD TYR 85 7.323 -6.911 13.609 613 HE1 TYR 85 1HE TYR 85 7.792 -3.004 16.561 614 HE2 TYR 85 2HE TYR 85 5.323 -5.872 14.592 615 HH TYR 85 HH TYR 85 5.530 -2.898 16.468 616 H THR 86 H THR 86 11.706 -7.169 11.370 617 HA THR 86 HA THR 86 14.093 -7.624 12.493 618 HB THR 86 HB THR 86 13.683 -7.167 9.531 619 HG1 THR 86 1HG THR 86 12.490 -8.880 10.933 620 HG21 THR 86 1HG2 THR 86 15.686 -8.285 9.118 621 HG22 THR 86 2HG2 THR 86 15.758 -8.959 10.746 622 HG23 THR 86 3HG2 THR 86 16.087 -7.247 10.485 623 H SER 87 H SER 87 13.782 -5.104 9.982 624 HA SER 87 HA SER 87 16.192 -3.822 11.004 625 HB2 SER 87 1HB SER 87 14.565 -3.537 8.494 626 HB3 SER 87 2HB SER 87 15.717 -2.285 8.957 627 HG SER 87 HG SER 87 17.331 -3.588 8.511 628 H ARG 88 H ARG 88 13.052 -2.567 9.868 629 HA ARG 88 HA ARG 88 12.786 -0.987 12.296 630 HB2 ARG 88 1HB ARG 88 14.095 0.252 10.360 631 HB3 ARG 88 2HB ARG 88 12.474 0.502 9.727 632 HG2 ARG 88 1HG ARG 88 11.831 1.569 11.846 633 HG3 ARG 88 2HG ARG 88 13.484 1.363 12.429 634 HD2 ARG 88 1HD ARG 88 13.010 2.751 9.831 635 HD3 ARG 88 2HD ARG 88 12.720 3.620 11.338 636 HE ARG 88 HE ARG 88 14.993 3.639 11.745 637 HH11 ARG 88 2HH1 ARG 88 14.272 1.612 9.008 638 HH12 ARG 88 1HH1 ARG 88 15.926 1.468 8.513 639 HH21 ARG 88 2HH2 ARG 88 17.175 3.457 11.103 640 HH22 ARG 88 1HH2 ARG 88 17.577 2.517 9.706 641 HA PRO 89 HA PRO 89 8.582 -2.152 11.580 642 HB2 PRO 89 1HB PRO 89 7.452 -0.586 13.489 643 HB3 PRO 89 2HB PRO 89 8.341 -2.067 13.864 644 HG2 PRO 89 1HG PRO 89 9.264 0.778 13.987 645 HG3 PRO 89 2HG PRO 89 9.543 -0.540 15.141 646 HD2 PRO 89 1HD PRO 89 11.408 0.238 13.340 647 HD3 PRO 89 2HD PRO 89 11.254 -1.443 13.889 648 H ALA 90 H ALA 90 8.305 -1.235 9.501 649 HA ALA 90 HA ALA 90 6.797 1.273 9.537 650 HB1 ALA 90 1HB ALA 90 9.254 0.736 7.912 651 HB2 ALA 90 2HB ALA 90 8.013 1.849 7.335 652 HB3 ALA 90 3HB ALA 90 8.834 2.160 8.864 653 H ILE 91 H ILE 91 5.516 1.598 7.566 654 HA ILE 91 HA ILE 91 4.410 -0.928 6.663 655 HB ILE 91 HB ILE 91 3.530 1.916 6.162 656 HG12 ILE 91 1HG1 ILE 91 2.350 -0.267 7.895 657 HG13 ILE 91 2HG1 ILE 91 3.262 1.119 8.484 658 HG21 ILE 91 1HG2 ILE 91 2.974 0.291 4.326 659 HG22 ILE 91 2HG2 ILE 91 2.008 -0.594 5.505 660 HG23 ILE 91 3HG2 ILE 91 1.588 1.068 5.091 661 HD11 ILE 91 1HD1 ILE 91 0.469 0.910 7.693 662 HD12 ILE 91 2HD1 ILE 91 1.271 2.078 8.744 663 HD13 ILE 91 3HD1 ILE 91 1.299 2.300 6.995 664 H VAL 92 H VAL 92 4.814 -1.852 4.764 665 HA VAL 92 HA VAL 92 6.571 -0.512 2.880 666 HB VAL 92 HB VAL 92 5.468 -3.323 2.923 667 HG11 VAL 92 1HG1 VAL 92 7.515 -2.130 1.056 668 HG12 VAL 92 2HG1 VAL 92 6.978 -3.811 1.088 669 HG13 VAL 92 3HG1 VAL 92 5.854 -2.533 0.625 670 HG21 VAL 92 1HG2 VAL 92 7.040 -3.267 4.609 671 HG22 VAL 92 2HG2 VAL 92 8.030 -3.729 3.225 672 HG23 VAL 92 3HG2 VAL 92 8.031 -2.059 3.792 673 H PHE 93 H PHE 93 5.546 0.917 1.604 674 HA PHE 93 HA PHE 93 2.977 0.169 0.408 675 HB2 PHE 93 1HB PHE 93 4.334 2.751 0.998 676 HB3 PHE 93 2HB PHE 93 3.269 2.697 -0.403 677 HD1 PHE 93 2HD PHE 93 1.021 1.185 0.281 678 HD2 PHE 93 1HD PHE 93 3.330 3.711 2.811 679 HE1 PHE 93 2HE PHE 93 -0.929 1.490 1.751 680 HE2 PHE 93 1HE PHE 93 1.385 4.019 4.286 681 HZ PHE 93 HZ PHE 93 -0.749 2.909 3.755 682 H ARG 94 H ARG 94 2.743 -0.221 -1.717 683 HA ARG 94 HA ARG 94 5.111 0.149 -3.432 684 HB2 ARG 94 1HB ARG 94 4.390 -2.243 -2.835 685 HB3 ARG 94 2HB ARG 94 3.003 -1.953 -3.877 686 HG2 ARG 94 1HG ARG 94 5.794 -1.524 -4.870 687 HG3 ARG 94 2HG ARG 94 5.057 -3.127 -4.865 688 HD2 ARG 94 1HD ARG 94 3.074 -1.797 -6.024 689 HD3 ARG 94 2HD ARG 94 4.399 -0.730 -6.489 690 HE ARG 94 HE ARG 94 5.202 -2.371 -7.893 691 HH11 ARG 94 2HH1 ARG 94 2.687 -3.666 -5.864 692 HH12 ARG 94 1HH1 ARG 94 2.550 -5.146 -6.755 693 HH21 ARG 94 2HH2 ARG 94 5.031 -4.315 -9.074 694 HH22 ARG 94 1HH2 ARG 94 3.885 -5.514 -8.580 695 H ILE 95 H ILE 95 4.861 1.217 -5.310 696 HA ILE 95 HA ILE 95 2.151 1.718 -6.310 697 HB ILE 95 HB ILE 95 4.210 3.904 -6.001 698 HG12 ILE 95 1HG1 ILE 95 1.606 3.795 -4.515 699 HG13 ILE 95 2HG1 ILE 95 3.012 2.942 -3.887 700 HG21 ILE 95 1HG2 ILE 95 2.644 4.078 -7.931 701 HG22 ILE 95 2HG2 ILE 95 1.307 4.093 -6.783 702 HG23 ILE 95 3HG2 ILE 95 2.498 5.394 -6.766 703 HD11 ILE 95 1HD1 ILE 95 3.995 4.828 -3.202 704 HD12 ILE 95 2HD1 ILE 95 3.518 5.722 -4.646 705 HD13 ILE 95 3HD1 ILE 95 2.373 5.511 -3.321 706 H SER 96 H SER 96 1.975 1.769 -8.495 707 HA SER 96 HA SER 96 4.326 2.082 -10.164 708 HB2 SER 96 1HB SER 96 4.285 -0.345 -9.561 709 HB3 SER 96 2HB SER 96 2.696 -0.464 -10.317 710 HG SER 96 HG SER 96 5.120 0.291 -11.590 711 H ALA 97 H ALA 97 3.654 1.800 -12.554 712 HA ALA 97 HA ALA 97 0.994 3.023 -12.896 713 HB1 ALA 97 1HB ALA 97 3.124 3.370 -14.946 714 HB2 ALA 97 2HB ALA 97 1.811 4.454 -14.484 715 HB3 ALA 97 3HB ALA 97 3.229 4.295 -13.448 716 H LYS 98 H LYS 98 -0.245 2.435 -14.719 717 HA LYS 98 HA LYS 98 0.499 -0.175 -15.866 718 HB2 LYS 98 1HB LYS 98 -1.601 0.098 -14.364 719 HB3 LYS 98 2HB LYS 98 -2.313 0.878 -15.770 720 HG2 LYS 98 1HG LYS 98 -1.801 -1.174 -17.084 721 HG3 LYS 98 2HG LYS 98 -1.284 -1.943 -15.581 722 HD2 LYS 98 1HD LYS 98 -3.474 -2.638 -15.703 723 HD3 LYS 98 2HD LYS 98 -3.639 -1.173 -14.732 724 HE2 LYS 98 1HE LYS 98 -3.902 -1.123 -17.722 725 HE3 LYS 98 2HE LYS 98 -5.269 -1.519 -16.682 726 HZ1 LYS 98 1HZ LYS 98 -5.599 0.667 -16.598 727 HZ2 LYS 98 2HZ LYS 98 -4.072 1.027 -17.228 728 HZ3 LYS 98 3HZ LYS 98 -4.256 0.742 -15.571 729 H ASN 99 H ASN 99 0.991 -0.177 -17.951 730 HA ASN 99 HA ASN 99 -0.181 1.908 -19.674 731 HB2 ASN 99 1HB ASN 99 1.911 1.728 -21.042 732 HB3 ASN 99 2HB ASN 99 2.166 2.375 -19.424 733 HD21 ASN 99 1HD2 ASN 99 3.508 0.467 -21.622 734 HD22 ASN 99 2HD2 ASN 99 4.342 -0.659 -20.612 735 H GLU 100 H GLU 100 0.054 1.217 -22.084 736 HA GLU 100 HA GLU 100 -1.689 -0.681 -22.772 737 HB2 GLU 100 1HB GLU 100 0.834 0.182 -24.138 738 HB3 GLU 100 2HB GLU 100 -0.145 -1.096 -24.845 739 HG2 GLU 100 1HG GLU 100 -2.087 0.620 -24.535 740 HG3 GLU 100 2HG GLU 100 -0.772 1.792 -24.485 741 H LYS 101 H LYS 101 1.682 -1.298 -21.939 742 HA LYS 101 HA LYS 101 1.511 -4.116 -22.478 743 HB2 LYS 101 1HB LYS 101 3.572 -2.254 -21.406 744 HB3 LYS 101 2HB LYS 101 3.730 -3.959 -21.003 745 HG2 LYS 101 1HG LYS 101 3.372 -3.034 -23.832 746 HG3 LYS 101 2HG LYS 101 4.960 -3.111 -23.064 747 HD2 LYS 101 1HD LYS 101 4.496 -5.513 -22.538 748 HD3 LYS 101 2HD LYS 101 3.030 -5.385 -23.513 749 HE2 LYS 101 1HE LYS 101 4.682 -6.299 -24.932 750 HE3 LYS 101 2HE LYS 101 4.513 -4.610 -25.408 751 HZ1 LYS 101 1HZ LYS 101 6.831 -5.248 -25.278 752 HZ2 LYS 101 2HZ LYS 101 6.647 -5.717 -23.663 753 HZ3 LYS 101 3HZ LYS 101 6.480 -4.090 -24.095 754 H GLY 102 H GLY 102 2.017 -2.262 -19.464 755 HA2 GLY 102 1HA GLY 102 0.088 -3.282 -17.871 756 HA3 GLY 102 2HA GLY 102 1.292 -4.562 -17.866 757 H TYR 103 H TYR 103 2.359 -4.497 -16.007 758 HA TYR 103 HA TYR 103 3.171 -1.866 -14.957 759 HB2 TYR 103 1HB TYR 103 2.500 -4.435 -13.523 760 HB3 TYR 103 2HB TYR 103 3.331 -3.097 -12.736 761 HD1 TYR 103 2HD TYR 103 2.149 -0.825 -12.705 762 HD2 TYR 103 1HD TYR 103 0.165 -4.465 -13.661 763 HE1 TYR 103 2HE TYR 103 -0.015 0.230 -12.204 764 HE2 TYR 103 1HE TYR 103 -2.005 -3.420 -13.163 765 HH TYR 103 HH TYR 103 -2.277 0.009 -12.473 766 H GLY 104 H GLY 104 5.279 -1.443 -14.854 767 HA2 GLY 104 1HA GLY 104 7.151 -3.712 -15.136 768 HA3 GLY 104 2HA GLY 104 7.432 -2.123 -15.832 769 HA PRO 105 HA PRO 105 9.846 -1.162 -12.288 770 HB2 PRO 105 1HB PRO 105 9.777 1.547 -12.441 771 HB3 PRO 105 2HB PRO 105 10.733 0.547 -13.541 772 HG2 PRO 105 1HG PRO 105 8.049 1.802 -13.970 773 HG3 PRO 105 2HG PRO 105 9.431 1.709 -15.077 774 HD2 PRO 105 1HD PRO 105 7.301 0.048 -15.264 775 HD3 PRO 105 2HD PRO 105 8.946 -0.455 -15.703 776 H ALA 106 H ALA 106 9.458 -0.944 -10.164 777 HA ALA 106 HA ALA 106 6.998 0.445 -9.326 778 HB1 ALA 106 1HB ALA 106 8.079 -2.136 -8.199 779 HB2 ALA 106 2HB ALA 106 6.691 -1.244 -7.574 780 HB3 ALA 106 3HB ALA 106 6.629 -1.953 -9.187 781 H THR 107 H THR 107 7.039 1.040 -6.976 782 HA THR 107 HA THR 107 9.770 1.691 -6.083 783 HB THR 107 HB THR 107 7.375 3.518 -5.818 784 HG1 THR 107 1HG THR 107 8.862 4.785 -7.315 785 HG21 THR 107 1HG2 THR 107 8.798 5.079 -4.825 786 HG22 THR 107 2HG2 THR 107 10.252 4.259 -5.395 787 HG23 THR 107 3HG2 THR 107 9.296 3.555 -4.091 788 H GLN 108 H GLN 108 10.212 0.944 -4.122 789 HA GLN 108 HA GLN 108 7.977 0.204 -2.364 790 HB2 GLN 108 1HB GLN 108 9.719 -1.515 -3.110 791 HB3 GLN 108 2HB GLN 108 10.842 -0.673 -2.050 792 HG2 GLN 108 1HG GLN 108 9.355 -1.105 -0.150 793 HG3 GLN 108 2HG GLN 108 8.260 -1.979 -1.220 794 HE21 GLN 108 1HE2 GLN 108 10.113 -2.649 1.145 795 HE22 GLN 108 2HE2 GLN 108 10.920 -4.082 0.618 796 H ILE 109 H ILE 109 7.534 1.575 -0.782 797 HA ILE 109 HA ILE 109 9.744 3.135 0.390 798 HB ILE 109 HB ILE 109 8.050 4.497 -0.832 799 HG12 ILE 109 1HG1 ILE 109 7.805 5.145 2.084 800 HG13 ILE 109 2HG1 ILE 109 9.390 5.168 1.320 801 HG21 ILE 109 1HG2 ILE 109 6.209 3.463 1.319 802 HG22 ILE 109 2HG2 ILE 109 5.839 4.809 0.242 803 HG23 ILE 109 3HG2 ILE 109 6.071 3.190 -0.418 804 HD11 ILE 109 1HD1 ILE 109 8.995 7.199 0.555 805 HD12 ILE 109 2HD1 ILE 109 7.584 6.611 -0.326 806 HD13 ILE 109 3HD1 ILE 109 7.413 7.180 1.334 807 H ARG 110 H ARG 110 9.536 3.668 2.668 808 HA ARG 110 HA ARG 110 7.922 1.710 4.166 809 HB2 ARG 110 1HB ARG 110 10.806 2.476 4.491 810 HB3 ARG 110 2HB ARG 110 9.883 1.893 5.870 811 HG2 ARG 110 1HG ARG 110 9.623 -0.224 4.968 812 HG3 ARG 110 2HG ARG 110 9.947 0.330 3.324 813 HD2 ARG 110 1HD ARG 110 12.296 0.850 4.103 814 HD3 ARG 110 2HD ARG 110 11.904 -0.028 5.581 815 HE ARG 110 HE ARG 110 11.404 -1.504 3.158 816 HH11 ARG 110 2HH1 ARG 110 13.740 -0.688 5.607 817 HH12 ARG 110 1HH1 ARG 110 14.706 -2.102 5.341 818 HH21 ARG 110 2HH2 ARG 110 12.667 -3.369 2.799 819 HH22 ARG 110 1HH2 ARG 110 14.095 -3.625 3.743 820 H TRP 111 H TRP 111 6.503 2.651 5.463 821 HA TRP 111 HA TRP 111 6.959 5.431 6.286 822 HB2 TRP 111 1HB TRP 111 4.845 4.814 5.061 823 HB3 TRP 111 2HB TRP 111 4.390 3.848 6.462 824 HD1 TRP 111 HD TRP 111 5.739 7.489 6.209 825 HE1 TRP 111 1HE TRP 111 4.153 9.007 7.553 826 HE3 TRP 111 3HE TRP 111 2.315 3.988 7.678 827 HZ2 TRP 111 2HZ TRP 111 1.767 8.753 9.040 828 HZ3 TRP 111 3HZ TRP 111 0.411 4.708 9.060 829 HH2 TRP 111 HH TRP 111 0.144 7.041 9.726 830 H LEU 112 H LEU 112 7.438 5.910 8.327 831 HA LEU 112 HA LEU 112 7.606 3.802 10.290 832 HB2 LEU 112 1HB LEU 112 8.382 6.693 10.221 833 HB3 LEU 112 2HB LEU 112 8.377 5.801 11.741 834 HG LEU 112 HG LEU 112 10.014 5.072 9.313 835 HD11 LEU 112 1HD1 LEU 112 10.585 6.737 11.718 836 HD12 LEU 112 2HD1 LEU 112 11.074 6.972 10.041 837 HD13 LEU 112 3HD1 LEU 112 11.870 5.746 11.026 838 HD21 LEU 112 1HD2 LEU 112 10.561 3.182 10.354 839 HD22 LEU 112 2HD2 LEU 112 9.210 3.494 11.444 840 HD23 LEU 112 3HD2 LEU 112 10.837 4.016 11.882 841 H GLN 113 H GLN 113 5.588 3.194 10.938 842 HA GLN 113 HA GLN 113 3.774 5.272 11.935 843 HB2 GLN 113 1HB GLN 113 2.037 3.549 11.873 844 HB3 GLN 113 2HB GLN 113 2.822 3.712 10.308 845 HG2 GLN 113 1HG GLN 113 2.731 1.444 10.496 846 HG3 GLN 113 2HG GLN 113 4.318 1.759 11.194 847 HE21 GLN 113 1HE2 GLN 113 3.432 -0.543 11.895 848 HE22 GLN 113 2HE2 GLN 113 2.758 -0.568 13.485 849 H GLY 114 H GLY 114 2.828 5.114 14.005 850 HA2 GLY 114 1HA GLY 114 4.578 4.306 16.058 851 HA3 GLY 114 2HA GLY 114 2.900 4.782 16.275 852 H ASN 115 H ASN 115 1.256 3.092 15.745 853 HA ASN 115 HA ASN 115 1.979 0.357 15.630 854 HB2 ASN 115 1HB ASN 115 1.313 -0.331 17.890 855 HB3 ASN 115 2HB ASN 115 2.694 0.760 17.945 856 HD21 ASN 115 1HD2 ASN 115 -0.098 0.043 19.419 857 HD22 ASN 115 2HD2 ASN 115 -0.501 1.584 20.088 858 H SER 116 H SER 116 0.300 -0.729 14.822 859 HA SER 116 HA SER 116 -2.246 0.615 14.566 860 HB2 SER 116 1HB SER 116 -1.199 -0.653 12.682 861 HB3 SER 116 2HB SER 116 -1.457 -2.141 13.593 862 HG SER 116 HG SER 116 -3.165 -0.881 12.012 863 H LYS 117 H LYS 117 -3.196 0.635 16.577 864 HA LYS 117 HA LYS 117 -3.404 -1.716 18.201 865 HB2 LYS 117 1HB LYS 117 -3.459 0.801 18.897 866 HB3 LYS 117 2HB LYS 117 -5.174 0.683 18.525 867 HG2 LYS 117 1HG LYS 117 -3.819 -1.222 20.405 868 HG3 LYS 117 2HG LYS 117 -4.475 0.326 20.940 869 HD2 LYS 117 1HD LYS 117 -6.659 -0.405 19.854 870 HD3 LYS 117 2HD LYS 117 -5.944 -2.016 19.754 871 HE2 LYS 117 1HE LYS 117 -7.134 -2.074 21.753 872 HE3 LYS 117 2HE LYS 117 -5.483 -1.736 22.269 873 HZ1 LYS 117 1HZ LYS 117 -6.697 0.713 21.789 874 HZ2 LYS 117 2HZ LYS 117 -6.248 0.060 23.283 875 HZ3 LYS 117 3HZ LYS 117 -7.809 -0.198 22.683 876 H SER 118 H SER 118 -4.510 -3.364 17.287 877 HA SER 118 HA SER 118 -7.344 -3.206 17.155 878 HB2 SER 118 1HB SER 118 -7.657 -3.653 14.776 879 HB3 SER 118 2HB SER 118 -6.799 -2.128 14.991 880 HG SER 118 HG SER 118 -4.919 -3.097 14.373 881 H GLY 119 H GLY 119 -8.269 -5.205 17.297 882 HA2 GLY 119 1HA GLY 119 -6.390 -7.480 17.292 883 HA3 GLY 119 2HA GLY 119 -7.824 -7.371 18.300 884 HA PRO 120 HA PRO 120 -8.572 -9.584 14.129 885 HB2 PRO 120 1HB PRO 120 -8.426 -12.161 14.971 886 HB3 PRO 120 2HB PRO 120 -7.032 -11.276 14.339 887 HG2 PRO 120 1HG PRO 120 -7.809 -11.807 17.181 888 HG3 PRO 120 2HG PRO 120 -6.208 -11.896 16.423 889 HD2 PRO 120 1HD PRO 120 -7.000 -9.776 17.909 890 HD3 PRO 120 2HD PRO 120 -5.890 -9.616 16.533 891 H SER 121 H SER 121 -10.442 -10.967 13.660 892 HA SER 121 HA SER 121 -12.422 -10.963 15.843 893 HB2 SER 121 1HB SER 121 -14.080 -10.687 13.817 894 HB3 SER 121 2HB SER 121 -13.269 -9.277 14.498 895 HG SER 121 HG SER 121 -12.934 -10.508 12.042 896 H SER 122 H SER 122 -10.721 -13.134 15.144 897 HA SER 122 HA SER 122 -12.754 -15.128 14.574 898 HB2 SER 122 1HB SER 122 -11.294 -16.263 12.880 899 HB3 SER 122 2HB SER 122 -11.937 -14.712 12.341 900 HG SER 122 HG SER 122 -9.740 -14.829 11.864 901 H GLY 123 H GLY 123 -12.540 -16.739 15.978 902 HA2 GLY 123 1HA GLY 123 -10.526 -16.870 17.903 903 HA3 GLY 123 2HA GLY 123 -11.626 -18.183 17.509 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.910 -13.686 -10.172 2 HA2 GLY 1 1HA GLY 1 10.630 -12.676 -11.344 3 HA3 GLY 1 2HA GLY 1 11.131 -14.264 -11.904 4 H SER 2 H SER 2 9.511 -11.373 -12.690 5 HA SER 2 HA SER 2 8.462 -12.538 -15.178 6 HB2 SER 2 1HB SER 2 7.664 -10.215 -13.492 7 HB3 SER 2 2HB SER 2 7.418 -10.079 -15.233 8 HG SER 2 HG SER 2 5.980 -11.451 -13.430 9 H SER 3 H SER 3 10.453 -12.609 -16.273 10 HA SER 3 HA SER 3 12.322 -10.587 -16.515 11 HB2 SER 3 1HB SER 3 13.141 -11.719 -18.440 12 HB3 SER 3 2HB SER 3 12.463 -12.972 -17.401 13 HG SER 3 HG SER 3 11.381 -13.476 -19.134 14 H GLY 4 H GLY 4 12.769 -9.481 -18.751 15 HA2 GLY 4 1HA GLY 4 12.033 -8.115 -20.494 16 HA3 GLY 4 2HA GLY 4 10.373 -8.503 -20.066 17 H SER 5 H SER 5 13.105 -6.991 -18.342 18 HA SER 5 HA SER 5 11.507 -5.224 -16.862 19 HB2 SER 5 1HB SER 5 13.622 -4.018 -16.395 20 HB3 SER 5 2HB SER 5 13.789 -5.761 -16.187 21 HG SER 5 HG SER 5 14.409 -4.582 -18.661 22 H SER 6 H SER 6 10.040 -4.207 -18.241 23 HA SER 6 HA SER 6 11.041 -1.808 -19.491 24 HB2 SER 6 1HB SER 6 11.207 -3.639 -21.255 25 HB3 SER 6 2HB SER 6 9.445 -3.701 -21.221 26 HG SER 6 HG SER 6 9.344 -1.676 -22.029 27 H GLY 7 H GLY 7 9.598 -0.192 -19.317 28 HA2 GLY 7 1HA GLY 7 6.880 -0.222 -19.609 29 HA3 GLY 7 2HA GLY 7 7.131 -0.693 -17.935 30 HA PRO 8 HA PRO 8 6.864 3.921 -18.069 31 HB2 PRO 8 1HB PRO 8 5.261 4.118 -15.888 32 HB3 PRO 8 2HB PRO 8 4.634 3.862 -17.521 33 HG2 PRO 8 1HG PRO 8 5.091 1.869 -15.333 34 HG3 PRO 8 2HG PRO 8 3.713 2.020 -16.440 35 HD2 PRO 8 1HD PRO 8 5.687 0.203 -16.809 36 HD3 PRO 8 2HD PRO 8 4.819 0.958 -18.161 37 H GLY 9 H GLY 9 7.150 5.428 -16.050 38 HA2 GLY 9 1HA GLY 9 9.513 4.427 -14.647 39 HA3 GLY 9 2HA GLY 9 9.014 6.107 -14.774 40 H ALA 10 H ALA 10 9.812 5.276 -12.361 41 HA ALA 10 HA ALA 10 7.496 4.439 -10.811 42 HB1 ALA 10 1HB ALA 10 10.378 4.464 -10.424 43 HB2 ALA 10 2HB ALA 10 9.492 5.030 -9.007 44 HB3 ALA 10 3HB ALA 10 9.144 3.441 -9.687 45 HA PRO 11 HA PRO 11 6.227 8.436 -9.508 46 HB2 PRO 11 1HB PRO 11 5.368 7.918 -6.985 47 HB3 PRO 11 2HB PRO 11 4.486 7.398 -8.426 48 HG2 PRO 11 1HG PRO 11 6.338 5.832 -6.672 49 HG3 PRO 11 2HG PRO 11 4.781 5.348 -7.370 50 HD2 PRO 11 1HD PRO 11 7.154 4.591 -8.433 51 HD3 PRO 11 2HD PRO 11 5.709 4.873 -9.426 52 H SER 12 H SER 12 7.061 10.231 -8.566 53 HA SER 12 HA SER 12 9.290 9.846 -6.675 54 HB2 SER 12 1HB SER 12 8.950 12.048 -8.726 55 HB3 SER 12 2HB SER 12 10.301 11.883 -7.604 56 HG SER 12 HG SER 12 9.697 9.709 -9.245 57 H THR 13 H THR 13 9.675 11.687 -5.208 58 HA THR 13 HA THR 13 8.961 13.027 -3.511 59 HB THR 13 HB THR 13 6.904 14.068 -5.459 60 HG1 THR 13 1HG THR 13 8.846 14.207 -6.531 61 HG21 THR 13 1HG2 THR 13 6.626 15.807 -4.053 62 HG22 THR 13 2HG2 THR 13 8.343 15.886 -3.656 63 HG23 THR 13 3HG2 THR 13 7.303 14.716 -2.844 64 H VAL 14 H VAL 14 7.953 10.519 -3.293 65 HA VAL 14 HA VAL 14 5.090 10.579 -2.944 66 HB VAL 14 HB VAL 14 7.129 8.480 -2.193 67 HG11 VAL 14 1HG1 VAL 14 5.022 8.495 -0.808 68 HG12 VAL 14 2HG1 VAL 14 4.139 8.149 -2.296 69 HG13 VAL 14 3HG1 VAL 14 5.341 7.005 -1.696 70 HG21 VAL 14 1HG2 VAL 14 6.416 7.305 -4.141 71 HG22 VAL 14 2HG2 VAL 14 5.113 8.457 -4.432 72 HG23 VAL 14 3HG2 VAL 14 6.792 8.957 -4.632 73 H ARG 15 H ARG 15 4.172 11.529 -1.256 74 HA ARG 15 HA ARG 15 5.604 11.528 1.318 75 HB2 ARG 15 1HB ARG 15 3.830 13.523 -0.015 76 HB3 ARG 15 2HB ARG 15 3.815 13.437 1.742 77 HG2 ARG 15 1HG ARG 15 6.278 13.754 1.722 78 HG3 ARG 15 2HG ARG 15 6.186 13.993 -0.024 79 HD2 ARG 15 1HD ARG 15 4.528 15.628 1.866 80 HD3 ARG 15 2HD ARG 15 6.195 16.067 1.497 81 HE ARG 15 HE ARG 15 3.920 16.434 -0.177 82 HH11 ARG 15 2HH1 ARG 15 7.339 15.777 -0.213 83 HH12 ARG 15 1HH1 ARG 15 7.584 16.452 -1.790 84 HH21 ARG 15 2HH2 ARG 15 4.230 17.324 -2.254 85 HH22 ARG 15 1HH2 ARG 15 5.815 17.332 -2.949 86 H ILE 16 H ILE 16 4.498 11.001 3.203 87 HA ILE 16 HA ILE 16 1.850 9.765 2.816 88 HB ILE 16 HB ILE 16 4.085 8.797 4.601 89 HG12 ILE 16 1HG1 ILE 16 2.813 7.676 2.100 90 HG13 ILE 16 2HG1 ILE 16 4.491 8.159 2.323 91 HG21 ILE 16 1HG2 ILE 16 1.328 8.559 4.986 92 HG22 ILE 16 2HG2 ILE 16 1.851 7.002 4.347 93 HG23 ILE 16 3HG2 ILE 16 2.604 7.655 5.801 94 HD11 ILE 16 1HD1 ILE 16 5.023 6.122 2.987 95 HD12 ILE 16 2HD1 ILE 16 3.802 6.175 4.260 96 HD13 ILE 16 3HD1 ILE 16 3.370 5.614 2.645 97 H SER 17 H SER 17 0.414 11.053 3.772 98 HA SER 17 HA SER 17 1.117 12.280 6.353 99 HB2 SER 17 1HB SER 17 0.541 14.011 4.853 100 HB3 SER 17 2HB SER 17 -0.811 13.096 4.184 101 HG SER 17 HG SER 17 -1.095 14.885 5.915 102 H LYS 18 H LYS 18 0.200 11.488 8.117 103 HA LYS 18 HA LYS 18 -1.697 9.386 8.035 104 HB2 LYS 18 1HB LYS 18 -0.112 9.530 9.855 105 HB3 LYS 18 2HB LYS 18 -0.731 11.108 10.323 106 HG2 LYS 18 1HG LYS 18 -2.595 10.240 11.318 107 HG3 LYS 18 2HG LYS 18 -2.613 8.807 10.286 108 HD2 LYS 18 1HD LYS 18 -2.000 8.107 12.484 109 HD3 LYS 18 2HD LYS 18 -0.552 8.029 11.478 110 HE2 LYS 18 1HE LYS 18 -1.152 10.489 13.072 111 HE3 LYS 18 2HE LYS 18 -0.419 9.086 13.849 112 HZ1 LYS 18 1HZ LYS 18 0.813 11.052 12.264 113 HZ2 LYS 18 2HZ LYS 18 0.975 9.560 11.485 114 HZ3 LYS 18 3HZ LYS 18 1.529 9.749 13.072 115 H ASN 19 H ASN 19 -3.870 9.369 8.273 116 HA ASN 19 HA ASN 19 -5.205 11.986 8.383 117 HB2 ASN 19 1HB ASN 19 -5.499 10.336 6.396 118 HB3 ASN 19 2HB ASN 19 -6.542 9.444 7.499 119 HD21 ASN 19 1HD2 ASN 19 -7.868 10.144 5.461 120 HD22 ASN 19 2HD2 ASN 19 -8.819 11.569 5.687 121 H VAL 20 H VAL 20 -7.508 11.817 9.319 122 HA VAL 20 HA VAL 20 -7.260 10.953 12.035 123 HB VAL 20 HB VAL 20 -9.601 12.110 10.520 124 HG11 VAL 20 1HG1 VAL 20 -10.591 12.487 12.772 125 HG12 VAL 20 2HG1 VAL 20 -10.487 10.785 12.315 126 HG13 VAL 20 3HG1 VAL 20 -9.323 11.467 13.452 127 HG21 VAL 20 1HG2 VAL 20 -7.381 13.226 12.141 128 HG22 VAL 20 2HG2 VAL 20 -8.183 13.883 10.715 129 HG23 VAL 20 3HG2 VAL 20 -8.966 13.985 12.292 130 H ASP 21 H ASP 21 -8.992 9.809 9.189 131 HA ASP 21 HA ASP 21 -10.208 7.642 10.719 132 HB2 ASP 21 1HB ASP 21 -10.636 8.828 8.020 133 HB3 ASP 21 2HB ASP 21 -11.058 7.133 8.246 134 H GLY 22 H GLY 22 -7.521 8.250 8.669 135 HA2 GLY 22 1HA GLY 22 -6.439 5.660 9.094 136 HA3 GLY 22 2HA GLY 22 -7.080 5.789 7.463 137 H ILE 23 H ILE 23 -5.444 6.056 6.101 138 HA ILE 23 HA ILE 23 -3.421 8.093 6.757 139 HB ILE 23 HB ILE 23 -2.921 5.451 5.380 140 HG12 ILE 23 1HG1 ILE 23 -1.667 6.445 7.932 141 HG13 ILE 23 2HG1 ILE 23 -3.185 5.553 7.940 142 HG21 ILE 23 1HG2 ILE 23 -1.048 7.744 5.952 143 HG22 ILE 23 2HG2 ILE 23 -0.561 6.161 5.349 144 HG23 ILE 23 3HG2 ILE 23 -1.591 7.200 4.365 145 HD11 ILE 23 1HD1 ILE 23 -2.129 3.634 6.980 146 HD12 ILE 23 2HD1 ILE 23 -0.624 4.525 6.747 147 HD13 ILE 23 3HD1 ILE 23 -1.189 4.160 8.377 148 H HIS 24 H HIS 24 -2.490 9.194 4.963 149 HA HIS 24 HA HIS 24 -4.129 9.055 2.516 150 HB2 HIS 24 1HB HIS 24 -4.335 11.136 4.012 151 HB3 HIS 24 2HB HIS 24 -2.711 11.538 3.465 152 HD1 HIS 24 1HD HIS 24 -2.731 11.150 0.553 153 HD2 HIS 24 2HD HIS 24 -6.066 12.602 2.562 154 HE1 HIS 24 1HE HIS 24 -4.084 12.368 -1.182 155 HE2 HIS 24 2HE HIS 24 -6.053 13.310 0.074 156 H LEU 25 H LEU 25 -2.846 7.813 1.232 157 HA LEU 25 HA LEU 25 -0.001 8.356 1.033 158 HB2 LEU 25 1HB LEU 25 -1.291 6.058 0.923 159 HB3 LEU 25 2HB LEU 25 -1.415 6.470 -0.786 160 HG LEU 25 HG LEU 25 1.207 6.808 -0.497 161 HD11 LEU 25 1HD1 LEU 25 0.642 4.597 1.461 162 HD12 LEU 25 2HD1 LEU 25 1.023 6.248 1.951 163 HD13 LEU 25 3HD1 LEU 25 2.201 5.306 1.037 164 HD21 LEU 25 1HD2 LEU 25 0.175 5.336 -2.112 165 HD22 LEU 25 2HD2 LEU 25 -0.198 4.162 -0.850 166 HD23 LEU 25 3HD2 LEU 25 1.481 4.487 -1.285 167 H SER 26 H SER 26 0.752 9.874 -0.272 168 HA SER 26 HA SER 26 -0.683 10.406 -2.791 169 HB2 SER 26 1HB SER 26 0.089 12.773 -2.582 170 HB3 SER 26 2HB SER 26 -1.028 12.288 -1.306 171 HG SER 26 HG SER 26 0.690 12.102 0.102 172 H TRP 27 H TRP 27 0.622 11.119 -4.570 173 HA TRP 27 HA TRP 27 3.488 11.007 -4.387 174 HB2 TRP 27 1HB TRP 27 3.756 9.118 -5.966 175 HB3 TRP 27 2HB TRP 27 3.026 8.620 -4.442 176 HD1 TRP 27 HD TRP 27 2.235 9.008 -8.156 177 HE1 TRP 27 1HE TRP 27 0.029 7.784 -8.664 178 HE3 TRP 27 3HE TRP 27 0.806 7.892 -3.376 179 HZ2 TRP 27 2HZ TRP 27 -2.044 6.514 -7.229 180 HZ3 TRP 27 3HZ TRP 27 -1.302 6.671 -3.030 181 HH2 TRP 27 HH TRP 27 -2.696 5.998 -4.918 182 H GLU 28 H GLU 28 4.399 10.983 -6.778 183 HA GLU 28 HA GLU 28 2.662 12.716 -8.409 184 HB2 GLU 28 1HB GLU 28 5.579 13.011 -7.734 185 HB3 GLU 28 2HB GLU 28 4.891 13.766 -9.165 186 HG2 GLU 28 1HG GLU 28 4.274 14.312 -6.285 187 HG3 GLU 28 2HG GLU 28 4.867 15.424 -7.517 188 HA PRO 29 HA PRO 29 3.401 10.030 -11.800 189 HB2 PRO 29 1HB PRO 29 3.340 11.776 -13.878 190 HB3 PRO 29 2HB PRO 29 1.893 11.301 -12.980 191 HG2 PRO 29 1HG PRO 29 3.564 13.770 -12.709 192 HG3 PRO 29 2HG PRO 29 1.798 13.608 -12.708 193 HD2 PRO 29 1HD PRO 29 3.237 13.890 -10.431 194 HD3 PRO 29 2HD PRO 29 1.734 12.946 -10.501 195 HA PRO 30 HA PRO 30 7.608 9.972 -13.078 196 HB2 PRO 30 1HB PRO 30 7.466 9.126 -15.653 197 HB3 PRO 30 2HB PRO 30 7.140 8.068 -14.275 198 HG2 PRO 30 1HG PRO 30 5.211 9.505 -16.058 199 HG3 PRO 30 2HG PRO 30 5.140 7.844 -15.440 200 HD2 PRO 30 1HD PRO 30 3.712 9.868 -14.346 201 HD3 PRO 30 2HD PRO 30 4.331 8.509 -13.386 202 H THR 31 H THR 31 8.742 11.795 -13.304 203 HA THR 31 HA THR 31 8.032 14.083 -14.662 204 HB THR 31 HB THR 31 9.854 14.086 -13.059 205 HG1 THR 31 1HG THR 31 11.308 14.798 -15.299 206 HG21 THR 31 1HG2 THR 31 11.877 12.972 -13.316 207 HG22 THR 31 2HG2 THR 31 11.673 12.796 -15.059 208 HG23 THR 31 3HG2 THR 31 10.720 11.805 -13.956 209 H SER 32 H SER 32 9.984 11.365 -15.839 210 HA SER 32 HA SER 32 10.348 12.552 -18.436 211 HB2 SER 32 1HB SER 32 12.061 11.067 -17.480 212 HB3 SER 32 2HB SER 32 10.909 9.733 -17.479 213 HG SER 32 HG SER 32 12.518 10.322 -19.397 214 HA PRO 33 HA PRO 33 6.625 11.144 -20.315 215 HB2 PRO 33 1HB PRO 33 7.427 11.156 -22.909 216 HB3 PRO 33 2HB PRO 33 7.093 12.634 -22.000 217 HG2 PRO 33 1HG PRO 33 9.721 11.334 -22.600 218 HG3 PRO 33 2HG PRO 33 9.283 13.051 -22.659 219 HD2 PRO 33 1HD PRO 33 10.632 11.963 -20.579 220 HD3 PRO 33 2HD PRO 33 9.498 13.315 -20.380 221 H SER 34 H SER 34 5.936 9.108 -20.164 222 HA SER 34 HA SER 34 7.671 6.920 -21.027 223 HB2 SER 34 1HB SER 34 6.056 5.465 -19.846 224 HB3 SER 34 2HB SER 34 6.688 6.732 -18.796 225 HG SER 34 HG SER 34 4.778 7.820 -18.957 226 H GLY 35 H GLY 35 4.318 8.036 -21.472 227 HA2 GLY 35 1HA GLY 35 4.155 7.729 -24.193 228 HA3 GLY 35 2HA GLY 35 3.780 6.137 -23.549 229 H ASN 36 H ASN 36 1.766 5.732 -22.834 230 HA ASN 36 HA ASN 36 -0.070 8.024 -22.592 231 HB2 ASN 36 1HB ASN 36 -0.650 5.293 -23.760 232 HB3 ASN 36 2HB ASN 36 -1.855 6.549 -23.489 233 HD21 ASN 36 1HD2 ASN 36 0.812 5.502 -25.427 234 HD22 ASN 36 2HD2 ASN 36 0.630 6.675 -26.683 235 H ILE 37 H ILE 37 0.146 8.098 -20.343 236 HA ILE 37 HA ILE 37 -0.111 5.867 -18.637 237 HB ILE 37 HB ILE 37 -0.684 8.771 -18.038 238 HG12 ILE 37 1HG1 ILE 37 1.602 8.399 -18.846 239 HG13 ILE 37 2HG1 ILE 37 1.600 8.808 -17.134 240 HG21 ILE 37 1HG2 ILE 37 -0.923 6.366 -16.446 241 HG22 ILE 37 2HG2 ILE 37 0.208 7.515 -15.733 242 HG23 ILE 37 3HG2 ILE 37 -1.447 8.011 -16.089 243 HD11 ILE 37 1HD1 ILE 37 1.451 5.986 -17.370 244 HD12 ILE 37 2HD1 ILE 37 2.752 6.569 -18.409 245 HD13 ILE 37 3HD1 ILE 37 2.745 6.975 -16.693 246 H LEU 38 H LEU 38 -1.878 4.605 -18.975 247 HA LEU 38 HA LEU 38 -4.486 5.594 -19.469 248 HB2 LEU 38 1HB LEU 38 -3.635 2.903 -18.411 249 HB3 LEU 38 2HB LEU 38 -5.220 3.296 -19.074 250 HG LEU 38 HG LEU 38 -2.795 3.655 -20.779 251 HD11 LEU 38 1HD1 LEU 38 -3.435 1.199 -19.556 252 HD12 LEU 38 2HD1 LEU 38 -2.289 1.500 -20.862 253 HD13 LEU 38 3HD1 LEU 38 -3.963 1.091 -21.236 254 HD21 LEU 38 1HD2 LEU 38 -4.935 4.454 -21.595 255 HD22 LEU 38 2HD2 LEU 38 -5.658 2.869 -21.316 256 HD23 LEU 38 3HD2 LEU 38 -4.403 3.063 -22.541 257 H GLU 39 H GLU 39 -3.163 3.974 -16.575 258 HA GLU 39 HA GLU 39 -4.484 5.804 -14.812 259 HB2 GLU 39 1HB GLU 39 -5.569 3.019 -15.176 260 HB3 GLU 39 2HB GLU 39 -5.788 3.905 -13.673 261 HG2 GLU 39 1HG GLU 39 -6.746 5.766 -15.188 262 HG3 GLU 39 2HG GLU 39 -6.907 4.479 -16.382 263 H TYR 40 H TYR 40 -4.258 4.999 -12.467 264 HA TYR 40 HA TYR 40 -1.662 3.628 -12.214 265 HB2 TYR 40 1HB TYR 40 -2.857 5.810 -10.495 266 HB3 TYR 40 2HB TYR 40 -1.366 4.952 -10.120 267 HD1 TYR 40 2HD TYR 40 -2.944 7.056 -12.759 268 HD2 TYR 40 1HD TYR 40 0.667 5.752 -10.926 269 HE1 TYR 40 2HE TYR 40 -1.680 8.675 -14.111 270 HE2 TYR 40 1HE TYR 40 1.941 7.368 -12.272 271 HH TYR 40 HH TYR 40 1.852 8.809 -13.991 272 H SER 41 H SER 41 -1.343 2.639 -9.993 273 HA SER 41 HA SER 41 -3.758 1.723 -8.678 274 HB2 SER 41 1HB SER 41 -2.111 -0.013 -10.454 275 HB3 SER 41 2HB SER 41 -2.708 -0.716 -8.951 276 HG SER 41 HG SER 41 -4.457 0.705 -10.630 277 H ALA 42 H ALA 42 -3.410 1.525 -6.561 278 HA ALA 42 HA ALA 42 -0.654 1.653 -5.592 279 HB1 ALA 42 1HB ALA 42 -2.749 3.127 -4.855 280 HB2 ALA 42 2HB ALA 42 -2.925 1.806 -3.700 281 HB3 ALA 42 3HB ALA 42 -1.427 2.735 -3.755 282 H TYR 43 H TYR 43 -0.009 0.339 -3.750 283 HA TYR 43 HA TYR 43 -1.525 -2.120 -3.335 284 HB2 TYR 43 1HB TYR 43 1.369 -2.125 -4.216 285 HB3 TYR 43 2HB TYR 43 0.425 -3.541 -3.765 286 HD1 TYR 43 2HD TYR 43 0.620 -0.785 -6.249 287 HD2 TYR 43 1HD TYR 43 -0.870 -4.670 -5.361 288 HE1 TYR 43 2HE TYR 43 -0.116 -1.030 -8.583 289 HE2 TYR 43 1HE TYR 43 -1.609 -4.927 -7.693 290 HH TYR 43 HH TYR 43 -2.054 -2.539 -9.753 291 H LEU 44 H LEU 44 -0.785 -3.355 -1.487 292 HA LEU 44 HA LEU 44 1.092 -2.042 0.308 293 HB2 LEU 44 1HB LEU 44 -0.834 -0.937 1.036 294 HB3 LEU 44 2HB LEU 44 -1.837 -2.375 0.849 295 HG LEU 44 HG LEU 44 -0.257 -3.276 2.779 296 HD11 LEU 44 1HD1 LEU 44 0.331 -1.538 4.354 297 HD12 LEU 44 2HD1 LEU 44 -0.288 -0.300 3.261 298 HD13 LEU 44 3HD1 LEU 44 1.131 -1.244 2.810 299 HD21 LEU 44 1HD2 LEU 44 -2.231 -1.431 3.892 300 HD22 LEU 44 2HD2 LEU 44 -2.126 -3.188 4.006 301 HD23 LEU 44 3HD2 LEU 44 -2.853 -2.437 2.584 302 H ALA 45 H ALA 45 2.378 -3.552 1.112 303 HA ALA 45 HA ALA 45 2.049 -6.292 0.733 304 HB1 ALA 45 1HB ALA 45 3.834 -4.628 2.442 305 HB2 ALA 45 2HB ALA 45 3.791 -6.373 2.696 306 HB3 ALA 45 3HB ALA 45 4.236 -5.723 1.118 307 H ILE 46 H ILE 46 0.944 -7.826 1.768 308 HA ILE 46 HA ILE 46 -0.156 -7.194 4.429 309 HB ILE 46 HB ILE 46 -2.133 -8.513 3.892 310 HG12 ILE 46 1HG1 ILE 46 -1.199 -8.652 1.033 311 HG13 ILE 46 2HG1 ILE 46 -0.831 -9.935 2.180 312 HG21 ILE 46 1HG2 ILE 46 -2.585 -6.302 3.472 313 HG22 ILE 46 2HG2 ILE 46 -1.391 -6.190 2.180 314 HG23 ILE 46 3HG2 ILE 46 -2.925 -7.012 1.894 315 HD11 ILE 46 1HD1 ILE 46 -2.773 -10.537 0.920 316 HD12 ILE 46 2HD1 ILE 46 -3.259 -10.197 2.581 317 HD13 ILE 46 3HD1 ILE 46 -3.557 -9.008 1.314 318 H ARG 47 H ARG 47 -0.336 -8.899 5.916 319 HA ARG 47 HA ARG 47 1.709 -10.891 5.676 320 HB2 ARG 47 1HB ARG 47 1.306 -9.893 7.834 321 HB3 ARG 47 2HB ARG 47 -0.382 -10.384 7.795 322 HG2 ARG 47 1HG ARG 47 0.423 -12.766 7.765 323 HG3 ARG 47 2HG ARG 47 2.040 -12.137 8.089 324 HD2 ARG 47 1HD ARG 47 1.516 -11.506 10.221 325 HD3 ARG 47 2HD ARG 47 -0.182 -11.227 9.836 326 HE ARG 47 HE ARG 47 -0.616 -13.369 10.479 327 HH11 ARG 47 2HH1 ARG 47 2.772 -13.105 9.723 328 HH12 ARG 47 1HH1 ARG 47 3.146 -14.717 10.236 329 HH21 ARG 47 2HH2 ARG 47 -0.137 -15.494 11.158 330 HH22 ARG 47 1HH2 ARG 47 1.490 -16.075 11.051 331 H THR 48 H THR 48 1.454 -13.148 5.686 332 HA THR 48 HA THR 48 -1.199 -14.260 5.262 333 HB THR 48 HB THR 48 -0.449 -15.469 3.192 334 HG1 THR 48 1HG THR 48 1.735 -13.699 3.532 335 HG21 THR 48 1HG2 THR 48 -1.954 -13.623 2.940 336 HG22 THR 48 2HG2 THR 48 -0.717 -13.477 1.690 337 HG23 THR 48 3HG2 THR 48 -0.643 -12.459 3.128 338 H ALA 49 H ALA 49 -1.344 -16.099 6.356 339 HA ALA 49 HA ALA 49 0.707 -17.254 7.810 340 HB1 ALA 49 1HB ALA 49 -1.722 -17.614 8.187 341 HB2 ALA 49 2HB ALA 49 -1.736 -18.700 6.797 342 HB3 ALA 49 3HB ALA 49 -0.772 -19.100 8.218 343 H GLN 50 H GLN 50 2.129 -18.918 7.498 344 HA GLN 50 HA GLN 50 2.221 -20.113 4.809 345 HB2 GLN 50 1HB GLN 50 4.427 -18.845 6.400 346 HB3 GLN 50 2HB GLN 50 4.788 -20.106 5.229 347 HG2 GLN 50 1HG GLN 50 3.190 -17.691 4.471 348 HG3 GLN 50 2HG GLN 50 4.952 -17.666 4.481 349 HE21 GLN 50 1HE2 GLN 50 5.524 -17.672 2.416 350 HE22 GLN 50 2HE2 GLN 50 4.987 -18.805 1.228 351 H MET 51 H MET 51 3.660 -22.099 4.770 352 HA MET 51 HA MET 51 3.513 -23.569 7.312 353 HB2 MET 51 1HB MET 51 2.607 -24.519 4.593 354 HB3 MET 51 2HB MET 51 2.883 -25.603 5.951 355 HG2 MET 51 1HG MET 51 0.985 -23.285 6.103 356 HG3 MET 51 2HG MET 51 0.499 -24.876 5.522 357 HE1 MET 51 1HE MET 51 -0.068 -26.979 7.332 358 HE2 MET 51 2HE MET 51 1.643 -26.947 6.905 359 HE3 MET 51 3HE MET 51 1.157 -27.141 8.590 360 H GLN 52 H GLN 52 4.671 -24.027 3.965 361 HA GLN 52 HA GLN 52 6.894 -25.604 4.758 362 HB2 GLN 52 1HB GLN 52 7.626 -25.379 2.424 363 HB3 GLN 52 2HB GLN 52 5.922 -25.801 2.530 364 HG2 GLN 52 1HG GLN 52 5.481 -23.292 2.297 365 HG3 GLN 52 2HG GLN 52 7.160 -23.184 1.772 366 HE21 GLN 52 1HE2 GLN 52 4.299 -23.036 0.534 367 HE22 GLN 52 2HE2 GLN 52 4.488 -23.916 -0.941 368 H ASP 53 H ASP 53 9.132 -24.803 3.661 369 HA ASP 53 HA ASP 53 9.802 -22.371 5.147 370 HB2 ASP 53 1HB ASP 53 12.202 -23.202 4.541 371 HB3 ASP 53 2HB ASP 53 11.288 -24.035 5.795 372 H ASN 54 H ASN 54 9.539 -20.589 3.951 373 HA ASN 54 HA ASN 54 10.661 -20.584 1.225 374 HB2 ASN 54 1HB ASN 54 8.458 -18.761 2.192 375 HB3 ASN 54 2HB ASN 54 8.980 -19.043 0.534 376 HD21 ASN 54 1HD2 ASN 54 8.458 -21.024 -0.465 377 HD22 ASN 54 2HD2 ASN 54 7.140 -21.987 0.101 378 HA PRO 55 HA PRO 55 13.453 -17.463 2.579 379 HB2 PRO 55 1HB PRO 55 14.015 -16.317 0.183 380 HB3 PRO 55 2HB PRO 55 14.637 -17.901 0.659 381 HG2 PRO 55 1HG PRO 55 12.302 -17.231 -1.090 382 HG3 PRO 55 2HG PRO 55 13.551 -18.469 -1.316 383 HD2 PRO 55 1HD PRO 55 11.082 -19.046 -0.365 384 HD3 PRO 55 2HD PRO 55 12.531 -19.942 0.135 385 H SER 56 H SER 56 13.844 -15.047 2.272 386 HA SER 56 HA SER 56 11.762 -13.555 3.196 387 HB2 SER 56 1HB SER 56 14.025 -12.690 3.206 388 HB3 SER 56 2HB SER 56 14.052 -12.632 1.444 389 HG SER 56 HG SER 56 12.268 -11.151 3.083 390 H GLN 57 H GLN 57 9.793 -13.807 2.235 391 HA GLN 57 HA GLN 57 9.531 -12.692 -0.474 392 HB2 GLN 57 1HB GLN 57 8.421 -15.240 0.631 393 HB3 GLN 57 2HB GLN 57 7.497 -14.357 -0.577 394 HG2 GLN 57 1HG GLN 57 9.595 -14.400 -2.000 395 HG3 GLN 57 2HG GLN 57 10.223 -15.578 -0.849 396 HE21 GLN 57 1HE2 GLN 57 7.696 -16.828 -0.337 397 HE22 GLN 57 2HE2 GLN 57 7.291 -17.747 -1.743 398 H LEU 58 H LEU 58 7.806 -11.351 -0.826 399 HA LEU 58 HA LEU 58 5.932 -10.936 1.399 400 HB2 LEU 58 1HB LEU 58 7.760 -8.983 0.121 401 HB3 LEU 58 2HB LEU 58 6.137 -8.427 0.522 402 HG LEU 58 HG LEU 58 8.048 -9.644 2.512 403 HD11 LEU 58 1HD1 LEU 58 7.541 -6.868 2.939 404 HD12 LEU 58 2HD1 LEU 58 8.165 -7.101 1.306 405 HD13 LEU 58 3HD1 LEU 58 9.081 -7.693 2.692 406 HD21 LEU 58 1HD2 LEU 58 5.353 -9.425 2.687 407 HD22 LEU 58 2HD2 LEU 58 5.860 -7.876 3.362 408 HD23 LEU 58 3HD2 LEU 58 6.448 -9.382 4.069 409 H VAL 59 H VAL 59 3.851 -10.610 0.820 410 HA VAL 59 HA VAL 59 3.264 -10.601 -2.063 411 HB VAL 59 HB VAL 59 2.373 -12.534 -0.861 412 HG11 VAL 59 1HG1 VAL 59 2.143 -11.607 1.352 413 HG12 VAL 59 2HG1 VAL 59 0.902 -10.484 0.790 414 HG13 VAL 59 3HG1 VAL 59 0.579 -12.218 0.814 415 HG21 VAL 59 1HG2 VAL 59 0.791 -12.415 -2.418 416 HG22 VAL 59 2HG2 VAL 59 -0.213 -11.541 -1.260 417 HG23 VAL 59 3HG2 VAL 59 0.817 -10.652 -2.382 418 H PHE 60 H PHE 60 2.080 -9.012 -2.968 419 HA PHE 60 HA PHE 60 0.989 -6.942 -1.175 420 HB2 PHE 60 1HB PHE 60 2.292 -6.556 -3.878 421 HB3 PHE 60 2HB PHE 60 1.546 -5.281 -2.921 422 HD1 PHE 60 1HD PHE 60 4.178 -7.905 -2.672 423 HD2 PHE 60 2HD PHE 60 2.864 -4.027 -1.511 424 HE1 PHE 60 1HE PHE 60 6.318 -7.530 -1.516 425 HE2 PHE 60 2HE PHE 60 5.001 -3.645 -0.354 426 HZ PHE 60 HZ PHE 60 6.732 -5.397 -0.356 427 H MET 61 H MET 61 -0.991 -6.061 -1.679 428 HA MET 61 HA MET 61 -2.387 -7.177 -4.015 429 HB2 MET 61 1HB MET 61 -4.425 -7.410 -2.667 430 HB3 MET 61 2HB MET 61 -3.120 -8.406 -2.038 431 HG2 MET 61 1HG MET 61 -2.771 -6.988 -0.206 432 HG3 MET 61 2HG MET 61 -3.707 -5.684 -0.932 433 HE1 MET 61 1HE MET 61 -6.334 -5.906 1.502 434 HE2 MET 61 2HE MET 61 -4.810 -6.423 2.224 435 HE3 MET 61 3HE MET 61 -4.817 -5.170 0.982 436 H ARG 62 H ARG 62 -3.820 -5.824 -5.051 437 HA ARG 62 HA ARG 62 -3.374 -3.039 -4.785 438 HB2 ARG 62 1HB ARG 62 -4.108 -4.436 -6.858 439 HB3 ARG 62 2HB ARG 62 -5.735 -4.181 -6.242 440 HG2 ARG 62 1HG ARG 62 -4.990 -1.671 -6.187 441 HG3 ARG 62 2HG ARG 62 -3.808 -2.220 -7.377 442 HD2 ARG 62 1HD ARG 62 -6.770 -2.721 -7.604 443 HD3 ARG 62 2HD ARG 62 -5.954 -1.338 -8.333 444 HE ARG 62 HE ARG 62 -4.653 -3.695 -9.130 445 HH11 ARG 62 2HH1 ARG 62 -7.661 -2.004 -9.594 446 HH12 ARG 62 1HH1 ARG 62 -7.928 -2.647 -11.180 447 HH21 ARG 62 2HH2 ARG 62 -4.994 -4.548 -11.218 448 HH22 ARG 62 1HH2 ARG 62 -6.411 -4.094 -12.103 449 H ILE 63 H ILE 63 -4.195 -1.734 -3.301 450 HA ILE 63 HA ILE 63 -6.730 -2.462 -2.008 451 HB ILE 63 HB ILE 63 -6.090 -0.877 -0.235 452 HG12 ILE 63 1HG1 ILE 63 -3.466 -0.646 -1.723 453 HG13 ILE 63 2HG1 ILE 63 -4.706 0.603 -1.692 454 HG21 ILE 63 1HG2 ILE 63 -4.841 -2.417 0.854 455 HG22 ILE 63 2HG2 ILE 63 -5.229 -3.392 -0.562 456 HG23 ILE 63 3HG2 ILE 63 -3.676 -2.563 -0.462 457 HD11 ILE 63 1HD1 ILE 63 -2.719 0.817 -0.098 458 HD12 ILE 63 2HD1 ILE 63 -4.338 1.076 0.553 459 HD13 ILE 63 3HD1 ILE 63 -3.507 -0.454 0.837 460 H TYR 64 H TYR 64 -5.217 -0.089 -4.015 461 HA TYR 64 HA TYR 64 -7.736 1.432 -4.058 462 HB2 TYR 64 1HB TYR 64 -6.242 2.837 -2.854 463 HB3 TYR 64 2HB TYR 64 -4.918 2.506 -3.965 464 HD1 TYR 64 2HD TYR 64 -4.816 3.604 -6.141 465 HD2 TYR 64 1HD TYR 64 -7.968 4.444 -3.409 466 HE1 TYR 64 2HE TYR 64 -5.402 5.608 -7.442 467 HE2 TYR 64 1HE TYR 64 -8.563 6.449 -4.703 468 HH TYR 64 HH TYR 64 -8.299 7.291 -7.019 469 H CYS 65 H CYS 65 -8.549 1.825 -6.028 470 HA CYS 65 HA CYS 65 -6.820 1.332 -8.361 471 HB2 CYS 65 1HB CYS 65 -8.746 0.329 -9.514 472 HB3 CYS 65 2HB CYS 65 -8.337 -0.563 -8.054 473 HG CYS 65 HG CYS 65 -11.149 1.058 -8.846 474 H GLY 66 H GLY 66 -6.530 3.205 -9.374 475 HA2 GLY 66 1HA GLY 66 -8.587 4.650 -10.583 476 HA3 GLY 66 2HA GLY 66 -8.210 5.459 -9.069 477 H LEU 67 H LEU 67 -7.865 6.899 -11.287 478 HA LEU 67 HA LEU 67 -5.117 6.674 -12.198 479 HB2 LEU 67 1HB LEU 67 -5.649 8.473 -13.704 480 HB3 LEU 67 2HB LEU 67 -6.916 7.250 -13.770 481 HG LEU 67 HG LEU 67 -7.309 9.616 -12.001 482 HD11 LEU 67 1HD1 LEU 67 -6.566 10.036 -14.602 483 HD12 LEU 67 2HD1 LEU 67 -7.546 11.129 -13.625 484 HD13 LEU 67 3HD1 LEU 67 -8.325 9.979 -14.712 485 HD21 LEU 67 1HD2 LEU 67 -9.237 8.522 -11.792 486 HD22 LEU 67 2HD2 LEU 67 -8.870 7.458 -13.151 487 HD23 LEU 67 3HD2 LEU 67 -9.601 9.038 -13.439 488 H LYS 68 H LYS 68 -6.969 8.455 -9.891 489 HA LYS 68 HA LYS 68 -5.482 10.771 -9.575 490 HB2 LYS 68 1HB LYS 68 -7.647 9.859 -8.362 491 HB3 LYS 68 2HB LYS 68 -6.483 9.349 -7.146 492 HG2 LYS 68 1HG LYS 68 -5.961 11.491 -6.544 493 HG3 LYS 68 2HG LYS 68 -6.374 12.154 -8.127 494 HD2 LYS 68 1HD LYS 68 -8.113 12.916 -6.799 495 HD3 LYS 68 2HD LYS 68 -8.795 11.450 -7.507 496 HE2 LYS 68 1HE LYS 68 -8.176 10.209 -5.473 497 HE3 LYS 68 2HE LYS 68 -7.551 11.700 -4.769 498 HZ1 LYS 68 1HZ LYS 68 -10.203 10.748 -4.813 499 HZ2 LYS 68 2HZ LYS 68 -10.137 12.231 -5.622 500 HZ3 LYS 68 3HZ LYS 68 -9.581 12.112 -4.029 501 H THR 69 H THR 69 -3.646 11.331 -8.476 502 HA THR 69 HA THR 69 -1.794 9.168 -7.909 503 HB THR 69 HB THR 69 -0.118 10.978 -7.615 504 HG1 THR 69 1HG THR 69 -1.368 12.692 -6.929 505 HG21 THR 69 1HG2 THR 69 -0.539 9.965 -9.830 506 HG22 THR 69 2HG2 THR 69 -0.025 11.648 -9.947 507 HG23 THR 69 3HG2 THR 69 -1.724 11.228 -10.161 508 H SER 70 H SER 70 -3.930 9.302 -6.094 509 HA SER 70 HA SER 70 -2.504 9.377 -3.629 510 HB2 SER 70 1HB SER 70 -4.239 11.683 -4.367 511 HB3 SER 70 2HB SER 70 -4.327 11.096 -2.706 512 HG SER 70 HG SER 70 -1.848 11.624 -3.946 513 H CYS 71 H CYS 71 -3.597 8.329 -1.974 514 HA CYS 71 HA CYS 71 -6.375 7.567 -2.368 515 HB2 CYS 71 1HB CYS 71 -5.962 5.186 -2.207 516 HB3 CYS 71 2HB CYS 71 -5.053 5.838 -3.565 517 HG CYS 71 HG CYS 71 -3.760 5.000 -0.509 518 H THR 72 H THR 72 -7.176 6.259 -0.464 519 HA THR 72 HA THR 72 -5.787 7.109 1.994 520 HB THR 72 HB THR 72 -8.779 6.857 1.638 521 HG1 THR 72 1HG THR 72 -8.577 9.238 1.913 522 HG21 THR 72 1HG2 THR 72 -8.210 6.462 3.914 523 HG22 THR 72 2HG2 THR 72 -8.765 8.134 3.819 524 HG23 THR 72 3HG2 THR 72 -7.040 7.782 3.919 525 H VAL 73 H VAL 73 -5.534 5.632 3.597 526 HA VAL 73 HA VAL 73 -6.665 2.948 3.137 527 HB VAL 73 HB VAL 73 -3.989 3.591 4.383 528 HG11 VAL 73 1HG1 VAL 73 -4.835 1.610 5.374 529 HG12 VAL 73 2HG1 VAL 73 -5.403 0.994 3.821 530 HG13 VAL 73 3HG1 VAL 73 -3.673 1.102 4.149 531 HG21 VAL 73 1HG2 VAL 73 -3.432 3.887 2.213 532 HG22 VAL 73 2HG2 VAL 73 -3.399 2.123 2.209 533 HG23 VAL 73 3HG2 VAL 73 -4.823 2.979 1.619 534 H THR 74 H THR 74 -8.191 2.577 4.600 535 HA THR 74 HA THR 74 -8.252 3.913 7.139 536 HB THR 74 HB THR 74 -10.274 2.555 7.573 537 HG1 THR 74 1HG THR 74 -9.323 1.215 5.307 538 HG21 THR 74 1HG2 THR 74 -9.885 4.416 5.405 539 HG22 THR 74 2HG2 THR 74 -11.254 4.251 6.506 540 HG23 THR 74 3HG2 THR 74 -11.188 3.289 5.030 541 H ALA 75 H ALA 75 -8.665 2.586 9.167 542 HA ALA 75 HA ALA 75 -6.392 1.144 9.851 543 HB1 ALA 75 1HB ALA 75 -7.245 1.201 11.914 544 HB2 ALA 75 2HB ALA 75 -8.559 2.142 11.207 545 HB3 ALA 75 3HB ALA 75 -8.735 0.400 11.417 546 H GLY 76 H GLY 76 -9.616 -0.059 8.951 547 HA2 GLY 76 1HA GLY 76 -9.398 -2.733 9.361 548 HA3 GLY 76 2HA GLY 76 -10.200 -2.057 7.950 549 H GLN 77 H GLN 77 -8.171 -1.048 6.473 550 HA GLN 77 HA GLN 77 -7.049 -3.388 5.322 551 HB2 GLN 77 1HB GLN 77 -6.525 -0.457 4.810 552 HB3 GLN 77 2HB GLN 77 -5.835 -1.757 3.848 553 HG2 GLN 77 1HG GLN 77 -8.793 -1.405 4.220 554 HG3 GLN 77 2HG GLN 77 -7.890 -0.633 2.917 555 HE21 GLN 77 1HE2 GLN 77 -7.395 -1.778 1.143 556 HE22 GLN 77 2HE2 GLN 77 -7.764 -3.451 0.918 557 H LEU 78 H LEU 78 -5.644 -0.679 7.141 558 HA LEU 78 HA LEU 78 -2.982 -1.301 7.043 559 HB2 LEU 78 1HB LEU 78 -4.712 -0.074 9.134 560 HB3 LEU 78 2HB LEU 78 -3.040 -0.457 9.537 561 HG LEU 78 HG LEU 78 -3.851 1.308 7.231 562 HD11 LEU 78 1HD1 LEU 78 -2.828 2.175 9.927 563 HD12 LEU 78 2HD1 LEU 78 -4.528 2.211 9.461 564 HD13 LEU 78 3HD1 LEU 78 -3.355 3.200 8.592 565 HD21 LEU 78 1HD2 LEU 78 -1.215 1.618 8.433 566 HD22 LEU 78 2HD2 LEU 78 -1.679 1.467 6.738 567 HD23 LEU 78 3HD2 LEU 78 -1.474 0.022 7.729 568 H ALA 79 H ALA 79 -5.376 -2.606 9.324 569 HA ALA 79 HA ALA 79 -3.782 -4.167 10.915 570 HB1 ALA 79 1HB ALA 79 -6.148 -3.926 11.327 571 HB2 ALA 79 2HB ALA 79 -6.528 -4.827 9.858 572 HB3 ALA 79 3HB ALA 79 -5.742 -5.639 11.212 573 H ASN 80 H ASN 80 -5.061 -4.968 7.709 574 HA ASN 80 HA ASN 80 -3.972 -7.602 7.667 575 HB2 ASN 80 1HB ASN 80 -5.235 -5.790 5.646 576 HB3 ASN 80 2HB ASN 80 -4.375 -7.224 5.092 577 HD21 ASN 80 1HD2 ASN 80 -7.123 -6.016 6.823 578 HD22 ASN 80 2HD2 ASN 80 -7.987 -7.510 6.905 579 H ALA 81 H ALA 81 -2.715 -4.465 7.025 580 HA ALA 81 HA ALA 81 -0.666 -5.051 5.212 581 HB1 ALA 81 1HB ALA 81 -0.461 -3.007 7.409 582 HB2 ALA 81 2HB ALA 81 0.297 -2.977 5.817 583 HB3 ALA 81 3HB ALA 81 -1.448 -2.771 5.967 584 H HIS 82 H HIS 82 1.313 -5.938 5.395 585 HA HIS 82 HA HIS 82 1.971 -7.263 7.889 586 HB2 HIS 82 1HB HIS 82 2.221 -8.568 5.880 587 HB3 HIS 82 2HB HIS 82 3.244 -7.335 5.149 588 HD1 HIS 82 1HD HIS 82 3.469 -10.473 6.820 589 HD2 HIS 82 2HD HIS 82 5.748 -6.999 6.805 590 HE1 HIS 82 1HE HIS 82 5.727 -11.146 7.700 591 HE2 HIS 82 2HE HIS 82 7.062 -9.011 7.763 592 H ILE 83 H ILE 83 3.541 -6.691 9.276 593 HA ILE 83 HA ILE 83 5.099 -4.283 8.623 594 HB ILE 83 HB ILE 83 4.468 -5.448 11.338 595 HG12 ILE 83 1HG1 ILE 83 2.495 -4.489 10.204 596 HG13 ILE 83 2HG1 ILE 83 2.973 -3.535 11.604 597 HG21 ILE 83 1HG2 ILE 83 6.002 -3.016 10.469 598 HG22 ILE 83 2HG2 ILE 83 5.308 -3.164 12.083 599 HG23 ILE 83 3HG2 ILE 83 6.520 -4.321 11.535 600 HD11 ILE 83 1HD1 ILE 83 3.609 -2.876 8.739 601 HD12 ILE 83 2HD1 ILE 83 2.346 -2.129 9.719 602 HD13 ILE 83 3HD1 ILE 83 4.042 -1.912 10.150 603 H ASP 84 H ASP 84 7.178 -4.544 8.194 604 HA ASP 84 HA ASP 84 8.501 -7.048 8.594 605 HB2 ASP 84 1HB ASP 84 8.893 -5.376 6.695 606 HB3 ASP 84 2HB ASP 84 9.845 -4.453 7.854 607 H TYR 85 H TYR 85 8.975 -7.633 10.624 608 HA TYR 85 HA TYR 85 10.154 -5.637 12.429 609 HB2 TYR 85 1HB TYR 85 8.828 -8.295 12.979 610 HB3 TYR 85 2HB TYR 85 9.651 -7.347 14.213 611 HD1 TYR 85 1HD TYR 85 8.841 -4.783 14.267 612 HD2 TYR 85 2HD TYR 85 6.542 -8.066 12.839 613 HE1 TYR 85 1HE TYR 85 6.778 -3.504 14.666 614 HE2 TYR 85 2HE TYR 85 4.473 -6.796 13.232 615 HH TYR 85 HH TYR 85 4.220 -4.240 15.139 616 H THR 86 H THR 86 11.800 -6.599 10.422 617 HA THR 86 HA THR 86 13.588 -8.454 11.853 618 HB THR 86 HB THR 86 12.794 -9.330 9.692 619 HG1 THR 86 1HG THR 86 14.799 -9.998 9.071 620 HG21 THR 86 1HG2 THR 86 12.913 -6.781 8.787 621 HG22 THR 86 2HG2 THR 86 12.866 -8.198 7.738 622 HG23 THR 86 3HG2 THR 86 14.408 -7.433 8.119 623 H SER 87 H SER 87 13.362 -5.414 10.119 624 HA SER 87 HA SER 87 16.080 -4.755 11.048 625 HB2 SER 87 1HB SER 87 14.769 -3.901 8.455 626 HB3 SER 87 2HB SER 87 16.335 -3.334 9.033 627 HG SER 87 HG SER 87 15.806 -6.087 8.730 628 H ARG 88 H ARG 88 12.873 -3.522 10.209 629 HA ARG 88 HA ARG 88 12.886 -1.702 12.406 630 HB2 ARG 88 1HB ARG 88 14.252 -0.624 10.427 631 HB3 ARG 88 2HB ARG 88 12.651 -0.294 9.780 632 HG2 ARG 88 1HG ARG 88 12.070 0.967 11.758 633 HG3 ARG 88 2HG ARG 88 13.622 0.568 12.495 634 HD2 ARG 88 1HD ARG 88 13.605 2.830 11.539 635 HD3 ARG 88 2HD ARG 88 14.793 1.787 10.759 636 HE ARG 88 HE ARG 88 12.422 1.658 9.287 637 HH11 ARG 88 2HH1 ARG 88 14.911 3.955 10.095 638 HH12 ARG 88 1HH1 ARG 88 14.731 4.862 8.630 639 HH21 ARG 88 2HH2 ARG 88 12.176 2.844 7.355 640 HH22 ARG 88 1HH2 ARG 88 13.174 4.230 7.072 641 HA PRO 89 HA PRO 89 8.598 -2.610 11.785 642 HB2 PRO 89 1HB PRO 89 7.627 -0.989 13.734 643 HB3 PRO 89 2HB PRO 89 8.419 -2.532 14.074 644 HG2 PRO 89 1HG PRO 89 9.541 0.240 14.199 645 HG3 PRO 89 2HG PRO 89 9.754 -1.106 15.334 646 HD2 PRO 89 1HD PRO 89 11.626 -0.440 13.494 647 HD3 PRO 89 2HD PRO 89 11.368 -2.112 14.032 648 H ALA 90 H ALA 90 8.400 -1.631 9.706 649 HA ALA 90 HA ALA 90 7.018 0.946 9.801 650 HB1 ALA 90 1HB ALA 90 9.184 1.661 9.195 651 HB2 ALA 90 2HB ALA 90 9.389 0.326 8.060 652 HB3 ALA 90 3HB ALA 90 8.251 1.623 7.698 653 H ILE 91 H ILE 91 5.917 1.414 7.674 654 HA ILE 91 HA ILE 91 4.630 -1.037 6.758 655 HB ILE 91 HB ILE 91 3.930 1.865 6.311 656 HG12 ILE 91 1HG1 ILE 91 2.621 -0.308 7.960 657 HG13 ILE 91 2HG1 ILE 91 3.524 1.065 8.590 658 HG21 ILE 91 1HG2 ILE 91 3.257 0.609 4.370 659 HG22 ILE 91 2HG2 ILE 91 2.516 -0.629 5.384 660 HG23 ILE 91 3HG2 ILE 91 1.829 0.994 5.331 661 HD11 ILE 91 1HD1 ILE 91 0.759 0.886 7.712 662 HD12 ILE 91 2HD1 ILE 91 1.541 2.050 8.782 663 HD13 ILE 91 3HD1 ILE 91 1.621 2.266 7.034 664 H VAL 92 H VAL 92 5.100 -1.974 4.888 665 HA VAL 92 HA VAL 92 6.830 -0.574 2.993 666 HB VAL 92 HB VAL 92 6.006 -3.479 3.110 667 HG11 VAL 92 1HG1 VAL 92 7.889 -2.016 1.270 668 HG12 VAL 92 2HG1 VAL 92 7.860 -3.771 1.449 669 HG13 VAL 92 3HG1 VAL 92 6.442 -2.923 0.833 670 HG21 VAL 92 1HG2 VAL 92 8.820 -2.749 3.468 671 HG22 VAL 92 2HG2 VAL 92 7.753 -2.178 4.751 672 HG23 VAL 92 3HG2 VAL 92 7.821 -3.897 4.362 673 H PHE 93 H PHE 93 5.810 0.582 1.493 674 HA PHE 93 HA PHE 93 3.273 -0.416 0.403 675 HB2 PHE 93 1HB PHE 93 4.467 2.293 0.736 676 HB3 PHE 93 2HB PHE 93 3.400 2.035 -0.640 677 HD1 PHE 93 2HD PHE 93 1.063 1.178 -0.205 678 HD2 PHE 93 1HD PHE 93 3.607 2.637 2.880 679 HE1 PHE 93 2HE PHE 93 -0.893 1.500 1.251 680 HE2 PHE 93 1HE PHE 93 1.655 2.960 4.341 681 HZ PHE 93 HZ PHE 93 -0.599 2.393 3.527 682 H ARG 94 H ARG 94 2.975 0.354 -1.992 683 HA ARG 94 HA ARG 94 5.343 0.291 -3.619 684 HB2 ARG 94 1HB ARG 94 3.685 -2.147 -3.217 685 HB3 ARG 94 2HB ARG 94 4.245 -1.807 -4.849 686 HG2 ARG 94 1HG ARG 94 6.558 -1.505 -3.607 687 HG3 ARG 94 2HG ARG 94 5.784 -2.571 -2.433 688 HD2 ARG 94 1HD ARG 94 5.478 -4.277 -4.041 689 HD3 ARG 94 2HD ARG 94 5.866 -3.189 -5.374 690 HE ARG 94 HE ARG 94 8.148 -3.168 -3.985 691 HH11 ARG 94 2HH1 ARG 94 6.107 -5.794 -5.013 692 HH12 ARG 94 1HH1 ARG 94 7.411 -6.927 -5.150 693 HH21 ARG 94 2HH2 ARG 94 9.873 -4.650 -4.162 694 HH22 ARG 94 1HH2 ARG 94 9.553 -6.275 -4.665 695 H ILE 95 H ILE 95 4.923 1.648 -5.221 696 HA ILE 95 HA ILE 95 2.194 1.721 -6.330 697 HB ILE 95 HB ILE 95 4.033 4.093 -5.996 698 HG12 ILE 95 1HG1 ILE 95 1.390 3.855 -4.627 699 HG13 ILE 95 2HG1 ILE 95 2.759 2.977 -3.954 700 HG21 ILE 95 1HG2 ILE 95 1.928 5.344 -6.638 701 HG22 ILE 95 2HG2 ILE 95 2.720 4.439 -7.927 702 HG23 ILE 95 3HG2 ILE 95 1.275 3.790 -7.153 703 HD11 ILE 95 1HD1 ILE 95 2.347 5.920 -4.212 704 HD12 ILE 95 2HD1 ILE 95 2.802 4.970 -2.798 705 HD13 ILE 95 3HD1 ILE 95 3.974 5.251 -4.086 706 H SER 96 H SER 96 1.995 2.065 -8.547 707 HA SER 96 HA SER 96 4.270 2.528 -10.223 708 HB2 SER 96 1HB SER 96 4.362 0.034 -9.504 709 HB3 SER 96 2HB SER 96 3.000 -0.171 -10.605 710 HG SER 96 HG SER 96 5.534 -0.141 -11.233 711 H ALA 97 H ALA 97 3.686 2.506 -12.534 712 HA ALA 97 HA ALA 97 0.843 3.179 -12.876 713 HB1 ALA 97 1HB ALA 97 3.025 4.711 -13.429 714 HB2 ALA 97 2HB ALA 97 2.688 3.987 -15.002 715 HB3 ALA 97 3HB ALA 97 1.436 4.910 -14.170 716 H LYS 98 H LYS 98 -0.166 2.633 -14.925 717 HA LYS 98 HA LYS 98 0.970 0.188 -16.118 718 HB2 LYS 98 1HB LYS 98 -1.129 -0.049 -14.671 719 HB3 LYS 98 2HB LYS 98 -1.975 0.802 -15.956 720 HG2 LYS 98 1HG LYS 98 -1.066 -1.000 -17.515 721 HG3 LYS 98 2HG LYS 98 -0.664 -1.892 -16.046 722 HD2 LYS 98 1HD LYS 98 -2.758 -2.721 -16.458 723 HD3 LYS 98 2HD LYS 98 -3.170 -1.343 -15.435 724 HE2 LYS 98 1HE LYS 98 -3.336 -0.042 -17.662 725 HE3 LYS 98 2HE LYS 98 -3.425 -1.637 -18.407 726 HZ1 LYS 98 1HZ LYS 98 -5.521 -0.234 -17.398 727 HZ2 LYS 98 2HZ LYS 98 -5.194 -1.352 -16.171 728 HZ3 LYS 98 3HZ LYS 98 -5.519 -1.891 -17.741 729 H ASN 99 H ASN 99 1.422 0.316 -18.211 730 HA ASN 99 HA ASN 99 -0.038 2.281 -19.848 731 HB2 ASN 99 1HB ASN 99 1.942 2.900 -20.989 732 HB3 ASN 99 2HB ASN 99 2.372 2.899 -19.281 733 HD21 ASN 99 1HD2 ASN 99 3.940 2.519 -21.799 734 HD22 ASN 99 2HD2 ASN 99 4.814 1.050 -21.551 735 H GLU 100 H GLU 100 0.682 1.739 -22.314 736 HA GLU 100 HA GLU 100 -0.769 -0.358 -23.193 737 HB2 GLU 100 1HB GLU 100 1.722 0.877 -24.332 738 HB3 GLU 100 2HB GLU 100 0.914 -0.445 -25.164 739 HG2 GLU 100 1HG GLU 100 0.112 1.543 -26.133 740 HG3 GLU 100 2HG GLU 100 -1.183 0.939 -25.101 741 H LYS 101 H LYS 101 2.668 -0.500 -22.323 742 HA LYS 101 HA LYS 101 3.006 -3.245 -22.925 743 HB2 LYS 101 1HB LYS 101 4.556 -1.454 -21.045 744 HB3 LYS 101 2HB LYS 101 5.069 -3.057 -21.554 745 HG2 LYS 101 1HG LYS 101 4.536 -0.830 -23.498 746 HG3 LYS 101 2HG LYS 101 6.116 -1.104 -22.759 747 HD2 LYS 101 1HD LYS 101 6.273 -3.280 -23.742 748 HD3 LYS 101 2HD LYS 101 4.601 -3.204 -24.304 749 HE2 LYS 101 1HE LYS 101 6.099 -2.782 -26.151 750 HE3 LYS 101 2HE LYS 101 5.211 -1.309 -25.761 751 HZ1 LYS 101 1HZ LYS 101 8.053 -1.926 -25.360 752 HZ2 LYS 101 2HZ LYS 101 7.299 -0.842 -24.304 753 HZ3 LYS 101 3HZ LYS 101 7.333 -0.519 -25.964 754 H GLY 102 H GLY 102 2.874 -1.663 -19.722 755 HA2 GLY 102 1HA GLY 102 0.932 -3.213 -18.549 756 HA3 GLY 102 2HA GLY 102 2.411 -4.147 -18.377 757 H TYR 103 H TYR 103 2.824 -3.992 -16.246 758 HA TYR 103 HA TYR 103 2.783 -1.336 -15.001 759 HB2 TYR 103 1HB TYR 103 2.644 -4.131 -13.913 760 HB3 TYR 103 2HB TYR 103 3.124 -2.794 -12.873 761 HD1 TYR 103 2HD TYR 103 1.517 -0.845 -12.607 762 HD2 TYR 103 1HD TYR 103 0.378 -4.543 -14.377 763 HE1 TYR 103 2HE TYR 103 -0.848 -0.299 -12.212 764 HE2 TYR 103 1HE TYR 103 -1.991 -4.006 -13.988 765 HH TYR 103 HH TYR 103 -3.441 -2.460 -13.304 766 H GLY 104 H GLY 104 4.634 -0.280 -14.779 767 HA2 GLY 104 1HA GLY 104 7.153 -1.542 -15.318 768 HA3 GLY 104 2HA GLY 104 6.905 0.135 -14.854 769 HA PRO 105 HA PRO 105 9.033 -1.871 -11.312 770 HB2 PRO 105 1HB PRO 105 10.550 0.302 -10.720 771 HB3 PRO 105 2HB PRO 105 11.015 -0.891 -11.939 772 HG2 PRO 105 1HG PRO 105 9.728 1.786 -12.304 773 HG3 PRO 105 2HG PRO 105 11.042 1.041 -13.232 774 HD2 PRO 105 1HD PRO 105 8.479 1.076 -14.106 775 HD3 PRO 105 2HD PRO 105 9.597 -0.252 -14.479 776 H ALA 106 H ALA 106 8.594 -1.634 -9.152 777 HA ALA 106 HA ALA 106 6.763 0.559 -8.435 778 HB1 ALA 106 1HB ALA 106 5.429 -1.165 -7.910 779 HB2 ALA 106 2HB ALA 106 6.768 -2.312 -7.847 780 HB3 ALA 106 3HB ALA 106 6.426 -1.279 -6.459 781 H THR 107 H THR 107 7.282 1.913 -6.823 782 HA THR 107 HA THR 107 9.919 1.711 -5.655 783 HB THR 107 HB THR 107 7.775 3.820 -5.349 784 HG1 THR 107 1HG THR 107 9.075 4.975 -6.779 785 HG21 THR 107 1HG2 THR 107 10.361 3.416 -3.992 786 HG22 THR 107 2HG2 THR 107 8.943 4.333 -3.482 787 HG23 THR 107 3HG2 THR 107 10.083 5.036 -4.629 788 H GLN 108 H GLN 108 10.386 0.936 -3.702 789 HA GLN 108 HA GLN 108 8.173 0.219 -1.923 790 HB2 GLN 108 1HB GLN 108 9.831 -1.522 -2.612 791 HB3 GLN 108 2HB GLN 108 11.072 -0.617 -1.757 792 HG2 GLN 108 1HG GLN 108 9.718 -0.878 0.323 793 HG3 GLN 108 2HG GLN 108 8.650 -1.951 -0.579 794 HE21 GLN 108 1HE2 GLN 108 9.747 -3.806 -1.660 795 HE22 GLN 108 2HE2 GLN 108 11.022 -4.589 -0.796 796 H ILE 109 H ILE 109 7.685 1.627 -0.385 797 HA ILE 109 HA ILE 109 9.851 3.242 0.790 798 HB ILE 109 HB ILE 109 8.130 4.586 -0.320 799 HG12 ILE 109 1HG1 ILE 109 7.717 4.945 2.637 800 HG13 ILE 109 2HG1 ILE 109 9.294 5.229 1.908 801 HG21 ILE 109 1HG2 ILE 109 5.842 4.642 0.529 802 HG22 ILE 109 2HG2 ILE 109 6.257 3.039 -0.076 803 HG23 ILE 109 3HG2 ILE 109 6.224 3.345 1.660 804 HD11 ILE 109 1HD1 ILE 109 8.552 7.318 1.662 805 HD12 ILE 109 2HD1 ILE 109 7.677 6.672 0.274 806 HD13 ILE 109 3HD1 ILE 109 6.862 6.844 1.828 807 H ARG 110 H ARG 110 9.751 3.685 3.071 808 HA ARG 110 HA ARG 110 8.252 1.661 4.600 809 HB2 ARG 110 1HB ARG 110 11.095 2.598 5.009 810 HB3 ARG 110 2HB ARG 110 10.202 1.649 6.190 811 HG2 ARG 110 1HG ARG 110 9.933 -0.128 4.478 812 HG3 ARG 110 2HG ARG 110 10.973 0.811 3.405 813 HD2 ARG 110 1HD ARG 110 12.853 0.439 4.681 814 HD3 ARG 110 2HD ARG 110 11.926 0.164 6.155 815 HE ARG 110 HE ARG 110 11.842 -2.055 5.630 816 HH11 ARG 110 2HH1 ARG 110 12.631 -0.253 2.757 817 HH12 ARG 110 1HH1 ARG 110 12.917 -1.663 1.793 818 HH21 ARG 110 2HH2 ARG 110 12.217 -3.920 4.371 819 HH22 ARG 110 1HH2 ARG 110 12.681 -3.749 2.712 820 H TRP 111 H TRP 111 6.655 2.863 5.468 821 HA TRP 111 HA TRP 111 7.216 5.501 6.549 822 HB2 TRP 111 1HB TRP 111 5.138 5.046 5.246 823 HB3 TRP 111 2HB TRP 111 4.611 3.964 6.533 824 HD1 TRP 111 HD TRP 111 5.904 7.639 6.503 825 HE1 TRP 111 1HE TRP 111 4.320 9.036 7.974 826 HE3 TRP 111 3HE TRP 111 2.635 3.963 7.895 827 HZ2 TRP 111 2HZ TRP 111 1.993 8.633 9.520 828 HZ3 TRP 111 3HZ TRP 111 0.758 4.552 9.372 829 HH2 TRP 111 HH TRP 111 0.445 6.839 10.167 830 H LEU 112 H LEU 112 8.069 5.630 8.516 831 HA LEU 112 HA LEU 112 7.807 3.530 10.449 832 HB2 LEU 112 1HB LEU 112 9.094 6.235 10.439 833 HB3 LEU 112 2HB LEU 112 8.956 5.306 11.930 834 HG LEU 112 HG LEU 112 10.344 4.293 9.454 835 HD11 LEU 112 1HD1 LEU 112 11.738 5.318 11.897 836 HD12 LEU 112 2HD1 LEU 112 11.324 6.396 10.565 837 HD13 LEU 112 3HD1 LEU 112 12.389 5.018 10.286 838 HD21 LEU 112 1HD2 LEU 112 10.553 3.372 12.314 839 HD22 LEU 112 2HD2 LEU 112 11.222 2.597 10.877 840 HD23 LEU 112 3HD2 LEU 112 9.476 2.639 11.124 841 H GLN 113 H GLN 113 6.373 3.334 12.052 842 HA GLN 113 HA GLN 113 4.630 5.635 12.639 843 HB2 GLN 113 1HB GLN 113 2.784 4.108 12.994 844 HB3 GLN 113 2HB GLN 113 3.454 3.854 11.388 845 HG2 GLN 113 1HG GLN 113 4.389 1.814 11.958 846 HG3 GLN 113 2HG GLN 113 4.349 2.167 13.685 847 HE21 GLN 113 1HE2 GLN 113 3.036 0.781 14.625 848 HE22 GLN 113 2HE2 GLN 113 1.467 0.324 14.065 849 H GLY 114 H GLY 114 3.339 5.001 14.811 850 HA2 GLY 114 1HA GLY 114 5.457 4.696 16.804 851 HA3 GLY 114 2HA GLY 114 3.843 5.329 17.092 852 H ASN 115 H ASN 115 3.409 4.017 18.846 853 HA ASN 115 HA ASN 115 3.326 1.123 18.319 854 HB2 ASN 115 1HB ASN 115 4.677 2.107 20.296 855 HB3 ASN 115 2HB ASN 115 3.107 2.360 21.052 856 HD21 ASN 115 1HD2 ASN 115 4.619 0.825 22.457 857 HD22 ASN 115 2HD2 ASN 115 4.234 -0.851 22.290 858 H SER 116 H SER 116 1.384 0.392 17.790 859 HA SER 116 HA SER 116 -0.984 1.699 18.958 860 HB2 SER 116 1HB SER 116 -2.222 0.792 16.989 861 HB3 SER 116 2HB SER 116 -0.949 1.929 16.546 862 HG SER 116 HG SER 116 0.094 0.380 15.563 863 H LYS 117 H LYS 117 -1.682 0.554 20.641 864 HA LYS 117 HA LYS 117 -2.305 -2.261 20.257 865 HB2 LYS 117 1HB LYS 117 -0.105 -2.434 21.203 866 HB3 LYS 117 2HB LYS 117 -0.487 -1.248 22.445 867 HG2 LYS 117 1HG LYS 117 -0.571 -3.297 23.549 868 HG3 LYS 117 2HG LYS 117 -2.263 -2.903 23.234 869 HD2 LYS 117 1HD LYS 117 -2.332 -4.409 21.370 870 HD3 LYS 117 2HD LYS 117 -0.590 -4.682 21.465 871 HE2 LYS 117 1HE LYS 117 -1.034 -5.554 23.823 872 HE3 LYS 117 2HE LYS 117 -2.736 -5.586 23.365 873 HZ1 LYS 117 1HZ LYS 117 -0.503 -7.184 22.288 874 HZ2 LYS 117 2HZ LYS 117 -1.904 -6.941 21.371 875 HZ3 LYS 117 3HZ LYS 117 -2.000 -7.710 22.875 876 H SER 118 H SER 118 -4.138 -2.863 21.280 877 HA SER 118 HA SER 118 -5.763 -0.841 22.466 878 HB2 SER 118 1HB SER 118 -6.756 -2.624 21.117 879 HB3 SER 118 2HB SER 118 -6.191 -3.833 22.271 880 HG SER 118 HG SER 118 -7.854 -3.409 23.474 881 H GLY 119 H GLY 119 -5.860 -0.237 24.523 882 HA2 GLY 119 1HA GLY 119 -4.330 -1.675 26.517 883 HA3 GLY 119 2HA GLY 119 -5.162 -0.143 26.741 884 HA PRO 120 HA PRO 120 -8.196 -2.276 29.094 885 HB2 PRO 120 1HB PRO 120 -10.259 -0.528 28.853 886 HB3 PRO 120 2HB PRO 120 -8.843 -0.210 29.862 887 HG2 PRO 120 1HG PRO 120 -9.460 0.769 27.101 888 HG3 PRO 120 2HG PRO 120 -8.783 1.658 28.478 889 HD2 PRO 120 1HD PRO 120 -7.249 0.715 26.456 890 HD3 PRO 120 2HD PRO 120 -6.659 0.834 28.126 891 H SER 121 H SER 121 -10.301 -3.290 28.935 892 HA SER 121 HA SER 121 -11.697 -3.351 26.432 893 HB2 SER 121 1HB SER 121 -9.735 -4.812 25.945 894 HB3 SER 121 2HB SER 121 -10.232 -5.865 27.269 895 HG SER 121 HG SER 121 -11.152 -6.755 25.511 896 H SER 122 H SER 122 -13.771 -3.819 26.800 897 HA SER 122 HA SER 122 -14.828 -4.144 29.335 898 HB2 SER 122 1HB SER 122 -16.941 -4.629 28.260 899 HB3 SER 122 2HB SER 122 -16.096 -3.408 27.309 900 HG SER 122 HG SER 122 -17.081 -5.541 26.350 901 H GLY 123 H GLY 123 -15.917 -5.940 30.338 902 HA2 GLY 123 1HA GLY 123 -16.384 -8.372 30.215 903 HA3 GLY 123 2HA GLY 123 -14.765 -8.548 29.555 Start of MODEL 4 1 H1 GLY 1 H GLY 1 24.022 -13.289 -17.089 2 HA2 GLY 1 1HA GLY 1 21.234 -13.791 -17.655 3 HA3 GLY 1 2HA GLY 1 21.887 -13.018 -16.218 4 H SER 2 H SER 2 20.712 -12.541 -19.457 5 HA SER 2 HA SER 2 21.271 -9.763 -19.636 6 HB2 SER 2 1HB SER 2 19.531 -11.680 -21.135 7 HB3 SER 2 2HB SER 2 19.296 -9.950 -21.377 8 HG SER 2 HG SER 2 20.988 -9.983 -22.602 9 H SER 3 H SER 3 20.381 -8.184 -18.503 10 HA SER 3 HA SER 3 17.594 -8.493 -17.597 11 HB2 SER 3 1HB SER 3 20.030 -7.677 -16.090 12 HB3 SER 3 2HB SER 3 18.522 -6.848 -15.707 13 HG SER 3 HG SER 3 18.069 -8.541 -14.564 14 H GLY 4 H GLY 4 16.495 -7.208 -18.963 15 HA2 GLY 4 1HA GLY 4 17.599 -4.583 -19.657 16 HA3 GLY 4 2HA GLY 4 16.242 -5.374 -20.444 17 H SER 5 H SER 5 15.472 -3.052 -20.122 18 HA SER 5 HA SER 5 13.784 -3.027 -17.742 19 HB2 SER 5 1HB SER 5 14.364 -0.781 -17.108 20 HB3 SER 5 2HB SER 5 15.863 -1.704 -17.223 21 HG SER 5 HG SER 5 15.629 -0.776 -19.577 22 H SER 6 H SER 6 11.773 -2.355 -18.176 23 HA SER 6 HA SER 6 11.225 -0.524 -20.346 24 HB2 SER 6 1HB SER 6 10.626 -3.444 -20.520 25 HB3 SER 6 2HB SER 6 9.445 -2.311 -21.177 26 HG SER 6 HG SER 6 10.703 -2.133 -22.836 27 H GLY 7 H GLY 7 9.900 0.871 -19.394 28 HA2 GLY 7 1HA GLY 7 7.364 0.065 -18.377 29 HA3 GLY 7 2HA GLY 7 8.455 0.494 -17.068 30 HA PRO 8 HA PRO 8 6.364 4.262 -19.134 31 HB2 PRO 8 1HB PRO 8 4.389 4.705 -17.325 32 HB3 PRO 8 2HB PRO 8 4.168 3.698 -18.760 33 HG2 PRO 8 1HG PRO 8 4.724 2.874 -15.937 34 HG3 PRO 8 2HG PRO 8 3.587 2.174 -17.103 35 HD2 PRO 8 1HD PRO 8 6.005 1.072 -16.586 36 HD3 PRO 8 2HD PRO 8 5.235 0.977 -18.182 37 H GLY 9 H GLY 9 7.803 3.303 -16.243 38 HA2 GLY 9 1HA GLY 9 9.444 4.885 -15.327 39 HA3 GLY 9 2HA GLY 9 8.207 6.126 -15.469 40 H ALA 10 H ALA 10 9.573 5.645 -13.092 41 HA ALA 10 HA ALA 10 7.550 4.314 -11.417 42 HB1 ALA 10 1HB ALA 10 10.391 4.965 -10.654 43 HB2 ALA 10 2HB ALA 10 9.245 3.954 -9.772 44 HB3 ALA 10 3HB ALA 10 9.878 3.417 -11.328 45 HA PRO 11 HA PRO 11 6.385 8.208 -9.727 46 HB2 PRO 11 1HB PRO 11 5.379 7.365 -7.350 47 HB3 PRO 11 2HB PRO 11 4.541 7.122 -8.888 48 HG2 PRO 11 1HG PRO 11 6.222 5.202 -7.323 49 HG3 PRO 11 2HG PRO 11 4.678 4.922 -8.150 50 HD2 PRO 11 1HD PRO 11 7.057 4.197 -9.221 51 HD3 PRO 11 2HD PRO 11 5.679 4.710 -10.215 52 H SER 12 H SER 12 7.462 9.770 -8.692 53 HA SER 12 HA SER 12 9.345 8.995 -6.560 54 HB2 SER 12 1HB SER 12 9.722 10.760 -8.938 55 HB3 SER 12 2HB SER 12 10.547 11.197 -7.441 56 HG SER 12 HG SER 12 11.770 9.797 -8.846 57 H THR 13 H THR 13 9.799 10.663 -4.973 58 HA THR 13 HA THR 13 9.228 12.307 -3.498 59 HB THR 13 HB THR 13 7.233 13.418 -5.452 60 HG1 THR 13 1HG THR 13 9.037 14.580 -6.361 61 HG21 THR 13 1HG2 THR 13 9.025 15.245 -4.081 62 HG22 THR 13 2HG2 THR 13 8.128 14.226 -2.955 63 HG23 THR 13 3HG2 THR 13 7.263 15.219 -4.128 64 H VAL 14 H VAL 14 8.020 9.891 -3.177 65 HA VAL 14 HA VAL 14 5.171 10.117 -2.968 66 HB VAL 14 HB VAL 14 7.002 8.070 -1.709 67 HG11 VAL 14 1HG1 VAL 14 4.731 8.239 -0.721 68 HG12 VAL 14 2HG1 VAL 14 4.053 7.897 -2.314 69 HG13 VAL 14 3HG1 VAL 14 5.046 6.688 -1.499 70 HG21 VAL 14 1HG2 VAL 14 6.901 8.439 -4.318 71 HG22 VAL 14 2HG2 VAL 14 6.925 6.818 -3.624 72 HG23 VAL 14 3HG2 VAL 14 5.401 7.527 -4.158 73 H ARG 15 H ARG 15 4.083 11.114 -1.415 74 HA ARG 15 HA ARG 15 5.400 11.518 1.189 75 HB2 ARG 15 1HB ARG 15 3.586 13.261 -0.435 76 HB3 ARG 15 2HB ARG 15 3.599 13.423 1.316 77 HG2 ARG 15 1HG ARG 15 5.906 14.011 1.323 78 HG3 ARG 15 2HG ARG 15 6.070 13.608 -0.388 79 HD2 ARG 15 1HD ARG 15 4.817 15.472 -1.061 80 HD3 ARG 15 2HD ARG 15 4.153 15.716 0.554 81 HE ARG 15 HE ARG 15 6.574 16.787 -0.461 82 HH11 ARG 15 2HH1 ARG 15 5.129 15.496 2.432 83 HH12 ARG 15 1HH1 ARG 15 6.158 16.390 3.501 84 HH21 ARG 15 2HH2 ARG 15 7.935 17.969 0.937 85 HH22 ARG 15 1HH2 ARG 15 7.753 17.797 2.650 86 H ILE 16 H ILE 16 4.244 11.148 3.067 87 HA ILE 16 HA ILE 16 1.574 9.951 2.756 88 HB ILE 16 HB ILE 16 3.740 8.901 4.580 89 HG12 ILE 16 1HG1 ILE 16 2.551 7.669 2.086 90 HG13 ILE 16 2HG1 ILE 16 4.144 8.411 2.183 91 HG21 ILE 16 1HG2 ILE 16 1.130 7.560 3.979 92 HG22 ILE 16 2HG2 ILE 16 2.235 7.292 5.327 93 HG23 ILE 16 3HG2 ILE 16 1.262 8.761 5.264 94 HD11 ILE 16 1HD1 ILE 16 4.144 5.929 2.294 95 HD12 ILE 16 2HD1 ILE 16 4.914 6.717 3.672 96 HD13 ILE 16 3HD1 ILE 16 3.290 6.048 3.833 97 H SER 17 H SER 17 0.090 10.842 4.026 98 HA SER 17 HA SER 17 0.999 12.358 6.384 99 HB2 SER 17 1HB SER 17 -1.388 12.878 4.596 100 HB3 SER 17 2HB SER 17 -1.007 13.785 6.059 101 HG SER 17 HG SER 17 0.787 13.532 3.881 102 H LYS 18 H LYS 18 -0.274 12.285 8.267 103 HA LYS 18 HA LYS 18 -1.769 9.800 8.555 104 HB2 LYS 18 1HB LYS 18 0.042 10.519 10.173 105 HB3 LYS 18 2HB LYS 18 -1.053 11.784 10.715 106 HG2 LYS 18 1HG LYS 18 -1.451 10.146 12.266 107 HG3 LYS 18 2HG LYS 18 -2.710 9.802 11.078 108 HD2 LYS 18 1HD LYS 18 -1.454 8.006 10.149 109 HD3 LYS 18 2HD LYS 18 -0.014 8.457 11.065 110 HE2 LYS 18 1HE LYS 18 -0.777 6.743 12.366 111 HE3 LYS 18 2HE LYS 18 -1.636 8.087 13.116 112 HZ1 LYS 18 1HZ LYS 18 -2.986 6.042 12.580 113 HZ2 LYS 18 2HZ LYS 18 -2.831 6.463 10.949 114 HZ3 LYS 18 3HZ LYS 18 -3.613 7.511 12.022 115 H ASN 19 H ASN 19 -3.909 9.738 8.478 116 HA ASN 19 HA ASN 19 -5.405 12.218 9.021 117 HB2 ASN 19 1HB ASN 19 -5.829 10.044 6.995 118 HB3 ASN 19 2HB ASN 19 -7.193 11.006 7.555 119 HD21 ASN 19 1HD2 ASN 19 -7.113 11.437 5.150 120 HD22 ASN 19 2HD2 ASN 19 -6.200 12.815 4.645 121 H VAL 20 H VAL 20 -7.474 12.003 10.038 122 HA VAL 20 HA VAL 20 -7.521 10.401 12.293 123 HB VAL 20 HB VAL 20 -8.959 12.227 12.382 124 HG11 VAL 20 1HG1 VAL 20 -9.414 11.607 9.607 125 HG12 VAL 20 2HG1 VAL 20 -10.939 11.922 10.437 126 HG13 VAL 20 3HG1 VAL 20 -9.650 13.126 10.470 127 HG21 VAL 20 1HG2 VAL 20 -9.964 10.203 13.357 128 HG22 VAL 20 2HG2 VAL 20 -11.184 11.331 12.765 129 HG23 VAL 20 3HG2 VAL 20 -10.787 9.890 11.828 130 H ASP 21 H ASP 21 -8.973 9.825 9.122 131 HA ASP 21 HA ASP 21 -10.301 7.419 9.870 132 HB2 ASP 21 1HB ASP 21 -9.465 8.261 7.090 133 HB3 ASP 21 2HB ASP 21 -10.747 7.132 7.521 134 H GLY 22 H GLY 22 -7.060 8.195 9.039 135 HA2 GLY 22 1HA GLY 22 -5.812 5.956 9.833 136 HA3 GLY 22 2HA GLY 22 -6.366 5.495 8.231 137 H ILE 23 H ILE 23 -4.782 5.620 6.801 138 HA ILE 23 HA ILE 23 -2.877 7.860 7.019 139 HB ILE 23 HB ILE 23 -2.303 5.179 5.760 140 HG12 ILE 23 1HG1 ILE 23 -1.175 6.082 8.392 141 HG13 ILE 23 2HG1 ILE 23 -2.739 5.276 8.330 142 HG21 ILE 23 1HG2 ILE 23 -0.894 7.718 5.935 143 HG22 ILE 23 2HG2 ILE 23 0.068 6.358 6.511 144 HG23 ILE 23 3HG2 ILE 23 -0.607 6.333 4.881 145 HD11 ILE 23 1HD1 ILE 23 -1.632 3.381 7.159 146 HD12 ILE 23 2HD1 ILE 23 -0.085 4.177 7.449 147 HD13 ILE 23 3HD1 ILE 23 -1.073 3.648 8.810 148 H HIS 24 H HIS 24 -2.325 8.979 5.175 149 HA HIS 24 HA HIS 24 -3.944 8.375 2.787 150 HB2 HIS 24 1HB HIS 24 -4.433 10.525 4.078 151 HB3 HIS 24 2HB HIS 24 -2.867 11.098 3.511 152 HD1 HIS 24 1HD HIS 24 -3.396 12.770 1.761 153 HD2 HIS 24 2HD HIS 24 -5.704 9.337 1.378 154 HE1 HIS 24 1HE HIS 24 -4.713 13.078 -0.359 155 HE2 HIS 24 2HE HIS 24 -6.165 11.027 -0.525 156 H LEU 25 H LEU 25 -2.672 7.402 1.342 157 HA LEU 25 HA LEU 25 0.147 8.026 1.157 158 HB2 LEU 25 1HB LEU 25 -1.121 5.735 0.829 159 HB3 LEU 25 2HB LEU 25 -1.249 6.308 -0.833 160 HG LEU 25 HG LEU 25 1.350 6.630 -0.580 161 HD11 LEU 25 1HD1 LEU 25 2.430 5.447 1.023 162 HD12 LEU 25 2HD1 LEU 25 1.169 4.220 1.129 163 HD13 LEU 25 3HD1 LEU 25 0.946 5.783 1.913 164 HD21 LEU 25 1HD2 LEU 25 1.247 3.894 -0.973 165 HD22 LEU 25 2HD2 LEU 25 1.074 5.139 -2.211 166 HD23 LEU 25 3HD2 LEU 25 -0.358 4.452 -1.444 167 H SER 26 H SER 26 0.999 9.505 -0.139 168 HA SER 26 HA SER 26 -0.508 10.329 -2.530 169 HB2 SER 26 1HB SER 26 -0.477 11.953 -0.465 170 HB3 SER 26 2HB SER 26 1.155 12.318 -1.025 171 HG SER 26 HG SER 26 -0.960 12.340 -2.866 172 H TRP 27 H TRP 27 0.863 11.424 -4.165 173 HA TRP 27 HA TRP 27 3.684 11.240 -4.091 174 HB2 TRP 27 1HB TRP 27 4.049 9.407 -5.647 175 HB3 TRP 27 2HB TRP 27 3.180 8.821 -4.232 176 HD1 TRP 27 HD TRP 27 2.604 9.651 -7.947 177 HE1 TRP 27 1HE TRP 27 0.516 8.375 -8.745 178 HE3 TRP 27 3HE TRP 27 1.067 7.724 -3.467 179 HZ2 TRP 27 2HZ TRP 27 -1.514 6.765 -7.625 180 HZ3 TRP 27 3HZ TRP 27 -0.957 6.327 -3.417 181 HH2 TRP 27 HH TRP 27 -2.220 5.859 -5.453 182 H GLU 28 H GLU 28 4.540 11.311 -6.514 183 HA GLU 28 HA GLU 28 2.735 13.086 -8.023 184 HB2 GLU 28 1HB GLU 28 5.693 13.359 -7.507 185 HB3 GLU 28 2HB GLU 28 4.879 14.222 -8.804 186 HG2 GLU 28 1HG GLU 28 4.328 14.460 -5.857 187 HG3 GLU 28 2HG GLU 28 5.101 15.658 -6.893 188 HA PRO 29 HA PRO 29 3.370 10.550 -11.548 189 HB2 PRO 29 1HB PRO 29 3.274 12.382 -13.549 190 HB3 PRO 29 2HB PRO 29 1.846 11.883 -12.635 191 HG2 PRO 29 1HG PRO 29 3.547 14.323 -12.305 192 HG3 PRO 29 2HG PRO 29 1.781 14.178 -12.266 193 HD2 PRO 29 1HD PRO 29 3.278 14.351 -10.017 194 HD3 PRO 29 2HD PRO 29 1.765 13.425 -10.088 195 HA PRO 30 HA PRO 30 7.668 10.555 -12.545 196 HB2 PRO 30 1HB PRO 30 7.601 8.973 -14.750 197 HB3 PRO 30 2HB PRO 30 7.386 8.346 -13.111 198 HG2 PRO 30 1HG PRO 30 5.318 9.003 -15.174 199 HG3 PRO 30 2HG PRO 30 5.413 7.601 -14.092 200 HD2 PRO 30 1HD PRO 30 3.796 9.717 -13.598 201 HD3 PRO 30 2HD PRO 30 4.550 8.768 -12.301 202 H THR 31 H THR 31 9.024 11.811 -13.695 203 HA THR 31 HA THR 31 7.889 13.496 -15.779 204 HB THR 31 HB THR 31 9.204 14.577 -14.017 205 HG1 THR 31 1HG THR 31 10.552 14.642 -16.531 206 HG21 THR 31 1HG2 THR 31 11.770 13.527 -15.047 207 HG22 THR 31 2HG2 THR 31 10.815 12.424 -14.056 208 HG23 THR 31 3HG2 THR 31 11.309 13.988 -13.409 209 H SER 32 H SER 32 8.169 10.832 -16.559 210 HA SER 32 HA SER 32 10.342 11.035 -18.540 211 HB2 SER 32 1HB SER 32 9.406 8.659 -16.946 212 HB3 SER 32 2HB SER 32 10.248 8.452 -18.482 213 HG SER 32 HG SER 32 11.323 10.107 -16.474 214 HA PRO 33 HA PRO 33 7.177 10.715 -21.586 215 HB2 PRO 33 1HB PRO 33 8.700 9.895 -23.678 216 HB3 PRO 33 2HB PRO 33 8.728 11.551 -23.060 217 HG2 PRO 33 1HG PRO 33 10.632 9.301 -22.536 218 HG3 PRO 33 2HG PRO 33 10.981 11.008 -22.867 219 HD2 PRO 33 1HD PRO 33 11.018 9.972 -20.366 220 HD3 PRO 33 2HD PRO 33 10.540 11.649 -20.698 221 H SER 34 H SER 34 6.092 8.920 -20.540 222 HA SER 34 HA SER 34 6.892 6.225 -21.173 223 HB2 SER 34 1HB SER 34 4.945 5.543 -19.904 224 HB3 SER 34 2HB SER 34 5.762 6.838 -19.030 225 HG SER 34 HG SER 34 4.208 8.279 -19.794 226 H GLY 35 H GLY 35 4.439 8.513 -22.266 227 HA2 GLY 35 1HA GLY 35 3.922 8.343 -24.690 228 HA3 GLY 35 2HA GLY 35 3.761 6.613 -24.428 229 H ASN 36 H ASN 36 2.059 5.964 -22.822 230 HA ASN 36 HA ASN 36 -0.116 7.835 -22.447 231 HB2 ASN 36 1HB ASN 36 -0.723 5.314 -23.981 232 HB3 ASN 36 2HB ASN 36 -1.746 6.729 -23.750 233 HD21 ASN 36 1HD2 ASN 36 1.013 5.430 -25.439 234 HD22 ASN 36 2HD2 ASN 36 1.054 6.620 -26.691 235 H ILE 37 H ILE 37 -0.597 7.515 -20.382 236 HA ILE 37 HA ILE 37 -0.347 4.843 -19.226 237 HB ILE 37 HB ILE 37 -0.640 7.580 -18.017 238 HG12 ILE 37 1HG1 ILE 37 1.398 5.493 -17.313 239 HG13 ILE 37 2HG1 ILE 37 1.591 6.452 -18.777 240 HG21 ILE 37 1HG2 ILE 37 -0.380 6.053 -15.836 241 HG22 ILE 37 2HG2 ILE 37 -1.944 6.561 -16.472 242 HG23 ILE 37 3HG2 ILE 37 -1.321 4.954 -16.844 243 HD11 ILE 37 1HD1 ILE 37 1.244 8.466 -17.170 244 HD12 ILE 37 2HD1 ILE 37 1.707 7.302 -15.928 245 HD13 ILE 37 3HD1 ILE 37 2.809 7.658 -17.258 246 H LEU 38 H LEU 38 -2.093 3.599 -19.423 247 HA LEU 38 HA LEU 38 -4.699 4.457 -19.914 248 HB2 LEU 38 1HB LEU 38 -3.798 1.903 -18.589 249 HB3 LEU 38 2HB LEU 38 -5.387 2.189 -19.296 250 HG LEU 38 HG LEU 38 -2.834 2.265 -20.894 251 HD11 LEU 38 1HD1 LEU 38 -4.357 -0.038 -21.486 252 HD12 LEU 38 2HD1 LEU 38 -4.121 0.002 -19.739 253 HD13 LEU 38 3HD1 LEU 38 -2.727 0.055 -20.818 254 HD21 LEU 38 1HD2 LEU 38 -5.764 2.243 -21.555 255 HD22 LEU 38 2HD2 LEU 38 -4.538 1.763 -22.729 256 HD23 LEU 38 3HD2 LEU 38 -4.527 3.395 -22.058 257 H GLU 39 H GLU 39 -3.372 3.199 -16.847 258 HA GLU 39 HA GLU 39 -4.792 5.145 -15.304 259 HB2 GLU 39 1HB GLU 39 -6.549 3.402 -15.921 260 HB3 GLU 39 2HB GLU 39 -5.655 2.285 -14.898 261 HG2 GLU 39 1HG GLU 39 -6.055 3.622 -12.965 262 HG3 GLU 39 2HG GLU 39 -6.748 4.917 -13.940 263 H TYR 40 H TYR 40 -4.467 4.793 -12.939 264 HA TYR 40 HA TYR 40 -1.898 3.428 -12.480 265 HB2 TYR 40 1HB TYR 40 -3.079 5.764 -10.965 266 HB3 TYR 40 2HB TYR 40 -1.499 5.040 -10.687 267 HD1 TYR 40 2HD TYR 40 -3.467 6.573 -13.473 268 HD2 TYR 40 1HD TYR 40 0.336 6.070 -11.632 269 HE1 TYR 40 2HE TYR 40 -2.477 8.119 -15.110 270 HE2 TYR 40 1HE TYR 40 1.336 7.616 -13.263 271 HH TYR 40 HH TYR 40 -0.613 9.065 -15.855 272 H SER 41 H SER 41 -1.580 2.783 -10.128 273 HA SER 41 HA SER 41 -3.890 2.171 -8.562 274 HB2 SER 41 1HB SER 41 -3.886 -0.229 -8.759 275 HB3 SER 41 2HB SER 41 -4.022 0.443 -10.384 276 HG SER 41 HG SER 41 -2.083 -0.287 -10.865 277 H ALA 42 H ALA 42 -3.369 1.412 -6.499 278 HA ALA 42 HA ALA 42 -0.502 1.555 -5.856 279 HB1 ALA 42 1HB ALA 42 -1.239 2.105 -3.560 280 HB2 ALA 42 2HB ALA 42 -1.794 3.271 -4.763 281 HB3 ALA 42 3HB ALA 42 -2.912 2.068 -4.119 282 H TYR 43 H TYR 43 0.181 0.223 -3.955 283 HA TYR 43 HA TYR 43 -1.337 -2.246 -3.603 284 HB2 TYR 43 1HB TYR 43 1.464 -2.098 -4.713 285 HB3 TYR 43 2HB TYR 43 0.823 -3.554 -3.960 286 HD1 TYR 43 2HD TYR 43 0.195 -1.145 -6.722 287 HD2 TYR 43 1HD TYR 43 -0.452 -5.068 -5.207 288 HE1 TYR 43 2HE TYR 43 -0.817 -1.800 -8.866 289 HE2 TYR 43 1HE TYR 43 -1.465 -5.734 -7.347 290 HH TYR 43 HH TYR 43 -1.135 -4.690 -9.942 291 H LEU 44 H LEU 44 -0.876 -3.355 -1.696 292 HA LEU 44 HA LEU 44 1.094 -2.145 0.108 293 HB2 LEU 44 1HB LEU 44 -0.891 -1.093 0.806 294 HB3 LEU 44 2HB LEU 44 -1.828 -2.577 0.640 295 HG LEU 44 HG LEU 44 -0.164 -3.373 2.562 296 HD11 LEU 44 1HD1 LEU 44 1.172 -1.542 2.951 297 HD12 LEU 44 2HD1 LEU 44 -0.102 -1.303 4.146 298 HD13 LEU 44 3HD1 LEU 44 -0.127 -0.390 2.638 299 HD21 LEU 44 1HD2 LEU 44 -1.969 -3.264 3.948 300 HD22 LEU 44 2HD2 LEU 44 -2.776 -2.955 2.410 301 HD23 LEU 44 3HD2 LEU 44 -2.372 -1.612 3.481 302 H ALA 45 H ALA 45 2.418 -3.674 0.806 303 HA ALA 45 HA ALA 45 2.082 -6.409 0.389 304 HB1 ALA 45 1HB ALA 45 3.970 -6.687 1.975 305 HB2 ALA 45 2HB ALA 45 4.270 -5.476 0.728 306 HB3 ALA 45 3HB ALA 45 3.847 -4.971 2.364 307 H ILE 46 H ILE 46 0.932 -7.920 1.395 308 HA ILE 46 HA ILE 46 -0.131 -7.309 4.075 309 HB ILE 46 HB ILE 46 -2.055 -8.638 3.597 310 HG12 ILE 46 1HG1 ILE 46 -0.875 -9.266 0.886 311 HG13 ILE 46 2HG1 ILE 46 -0.795 -10.362 2.261 312 HG21 ILE 46 1HG2 ILE 46 -3.102 -7.110 2.321 313 HG22 ILE 46 2HG2 ILE 46 -1.551 -6.274 2.385 314 HG23 ILE 46 3HG2 ILE 46 -1.953 -7.279 0.993 315 HD11 ILE 46 1HD1 ILE 46 -2.598 -10.974 0.769 316 HD12 ILE 46 2HD1 ILE 46 -3.238 -10.442 2.324 317 HD13 ILE 46 3HD1 ILE 46 -3.302 -9.365 0.929 318 H ARG 47 H ARG 47 -0.939 -9.593 5.051 319 HA ARG 47 HA ARG 47 1.503 -11.044 5.527 320 HB2 ARG 47 1HB ARG 47 -1.298 -11.393 6.607 321 HB3 ARG 47 2HB ARG 47 0.082 -12.355 7.120 322 HG2 ARG 47 1HG ARG 47 0.293 -9.395 7.273 323 HG3 ARG 47 2HG ARG 47 -0.700 -10.236 8.466 324 HD2 ARG 47 1HD ARG 47 1.366 -11.775 8.736 325 HD3 ARG 47 2HD ARG 47 2.242 -10.459 7.955 326 HE ARG 47 HE ARG 47 0.655 -9.554 10.150 327 HH11 ARG 47 2HH1 ARG 47 3.674 -11.061 9.293 328 HH12 ARG 47 1HH1 ARG 47 4.497 -10.524 10.719 329 HH21 ARG 47 2HH2 ARG 47 1.727 -8.841 12.033 330 HH22 ARG 47 1HH2 ARG 47 3.389 -9.262 12.278 331 H THR 48 H THR 48 1.404 -13.495 5.606 332 HA THR 48 HA THR 48 -0.216 -14.626 3.441 333 HB THR 48 HB THR 48 1.823 -15.902 2.655 334 HG1 THR 48 1HG THR 48 3.058 -15.236 4.611 335 HG21 THR 48 1HG2 THR 48 2.806 -13.507 1.745 336 HG22 THR 48 2HG2 THR 48 1.150 -13.094 2.191 337 HG23 THR 48 3HG2 THR 48 1.455 -14.391 1.036 338 H ALA 49 H ALA 49 -0.654 -16.822 3.629 339 HA ALA 49 HA ALA 49 -0.679 -17.866 6.265 340 HB1 ALA 49 1HB ALA 49 -1.304 -20.025 4.808 341 HB2 ALA 49 2HB ALA 49 -2.447 -18.723 5.143 342 HB3 ALA 49 3HB ALA 49 -1.589 -18.769 3.602 343 H GLN 50 H GLN 50 0.528 -19.454 7.225 344 HA GLN 50 HA GLN 50 3.212 -19.711 6.578 345 HB2 GLN 50 1HB GLN 50 1.413 -21.483 8.228 346 HB3 GLN 50 2HB GLN 50 3.151 -21.724 8.116 347 HG2 GLN 50 1HG GLN 50 3.633 -19.832 9.319 348 HG3 GLN 50 2HG GLN 50 2.108 -19.051 8.905 349 HE21 GLN 50 1HE2 GLN 50 0.141 -20.246 9.775 350 HE22 GLN 50 2HE2 GLN 50 0.246 -20.794 11.409 351 H MET 51 H MET 51 0.890 -22.412 6.408 352 HA MET 51 HA MET 51 2.438 -24.116 4.886 353 HB2 MET 51 1HB MET 51 0.353 -24.793 5.989 354 HB3 MET 51 2HB MET 51 -0.573 -23.838 4.839 355 HG2 MET 51 1HG MET 51 -0.723 -26.077 4.129 356 HG3 MET 51 2HG MET 51 0.390 -25.276 3.024 357 HE1 MET 51 1HE MET 51 -0.404 -27.587 5.626 358 HE2 MET 51 2HE MET 51 0.433 -28.939 4.863 359 HE3 MET 51 3HE MET 51 1.094 -28.205 6.325 360 H GLN 52 H GLN 52 3.484 -23.390 3.115 361 HA GLN 52 HA GLN 52 1.898 -22.813 0.766 362 HB2 GLN 52 1HB GLN 52 2.460 -20.617 2.076 363 HB3 GLN 52 2HB GLN 52 4.062 -20.837 1.385 364 HG2 GLN 52 1HG GLN 52 3.363 -20.398 -0.738 365 HG3 GLN 52 2HG GLN 52 1.725 -20.977 -0.438 366 HE21 GLN 52 1HE2 GLN 52 0.179 -19.552 0.066 367 HE22 GLN 52 2HE2 GLN 52 0.436 -17.862 0.316 368 H ASP 53 H ASP 53 3.482 -22.375 -1.153 369 HA ASP 53 HA ASP 53 5.646 -24.356 -0.924 370 HB2 ASP 53 1HB ASP 53 4.270 -23.411 -3.445 371 HB3 ASP 53 2HB ASP 53 5.397 -24.757 -3.292 372 H ASN 54 H ASN 54 4.992 -21.661 -3.158 373 HA ASN 54 HA ASN 54 7.478 -20.998 -3.927 374 HB2 ASN 54 1HB ASN 54 6.631 -18.520 -3.768 375 HB3 ASN 54 2HB ASN 54 5.846 -19.650 -4.867 376 HD21 ASN 54 1HD2 ASN 54 5.256 -17.299 -2.725 377 HD22 ASN 54 2HD2 ASN 54 3.682 -17.759 -2.182 378 HA PRO 55 HA PRO 55 9.938 -19.649 -0.553 379 HB2 PRO 55 1HB PRO 55 11.381 -17.641 -1.674 380 HB3 PRO 55 2HB PRO 55 11.649 -19.346 -2.056 381 HG2 PRO 55 1HG PRO 55 10.115 -17.280 -3.586 382 HG3 PRO 55 2HG PRO 55 11.239 -18.512 -4.188 383 HD2 PRO 55 1HD PRO 55 8.551 -18.806 -4.316 384 HD3 PRO 55 2HD PRO 55 9.653 -20.182 -4.104 385 H SER 56 H SER 56 10.675 -17.585 0.622 386 HA SER 56 HA SER 56 8.335 -16.129 1.368 387 HB2 SER 56 1HB SER 56 10.312 -16.809 2.868 388 HB3 SER 56 2HB SER 56 11.145 -15.412 2.188 389 HG SER 56 HG SER 56 9.029 -14.315 2.855 390 H GLN 57 H GLN 57 7.649 -14.945 -0.408 391 HA GLN 57 HA GLN 57 9.390 -12.685 -1.144 392 HB2 GLN 57 1HB GLN 57 7.791 -14.527 -2.844 393 HB3 GLN 57 2HB GLN 57 7.837 -12.833 -3.314 394 HG2 GLN 57 1HG GLN 57 9.545 -14.111 -4.467 395 HG3 GLN 57 2HG GLN 57 10.266 -12.908 -3.399 396 HE21 GLN 57 1HE2 GLN 57 12.181 -14.242 -3.616 397 HE22 GLN 57 2HE2 GLN 57 12.370 -15.621 -2.592 398 H LEU 58 H LEU 58 8.566 -11.038 0.007 399 HA LEU 58 HA LEU 58 6.073 -10.634 0.997 400 HB2 LEU 58 1HB LEU 58 8.221 -8.815 0.078 401 HB3 LEU 58 2HB LEU 58 6.638 -8.097 0.370 402 HG LEU 58 HG LEU 58 8.149 -9.706 2.424 403 HD11 LEU 58 1HD1 LEU 58 8.597 -7.463 3.452 404 HD12 LEU 58 2HD1 LEU 58 8.091 -6.738 1.927 405 HD13 LEU 58 3HD1 LEU 58 9.497 -7.802 1.973 406 HD21 LEU 58 1HD2 LEU 58 5.700 -9.560 2.698 407 HD22 LEU 58 2HD2 LEU 58 5.825 -7.801 2.693 408 HD23 LEU 58 3HD2 LEU 58 6.581 -8.735 3.984 409 H VAL 59 H VAL 59 4.411 -11.347 -0.315 410 HA VAL 59 HA VAL 59 4.047 -10.316 -2.977 411 HB VAL 59 HB VAL 59 3.283 -12.561 -2.495 412 HG11 VAL 59 1HG1 VAL 59 2.258 -11.344 -0.121 413 HG12 VAL 59 2HG1 VAL 59 0.945 -12.161 -0.972 414 HG13 VAL 59 3HG1 VAL 59 2.398 -13.056 -0.520 415 HG21 VAL 59 1HG2 VAL 59 1.457 -12.431 -3.815 416 HG22 VAL 59 2HG2 VAL 59 0.661 -11.245 -2.782 417 HG23 VAL 59 3HG2 VAL 59 1.908 -10.729 -3.917 418 H PHE 60 H PHE 60 2.850 -8.624 -3.613 419 HA PHE 60 HA PHE 60 1.466 -7.087 -1.528 420 HB2 PHE 60 1HB PHE 60 2.365 -6.163 -4.264 421 HB3 PHE 60 2HB PHE 60 1.719 -5.152 -2.976 422 HD1 PHE 60 1HD PHE 60 4.531 -7.464 -3.736 423 HD2 PHE 60 2HD PHE 60 3.160 -4.117 -1.492 424 HE1 PHE 60 1HE PHE 60 6.811 -7.106 -2.883 425 HE2 PHE 60 2HE PHE 60 5.438 -3.754 -0.635 426 HZ PHE 60 HZ PHE 60 7.267 -5.249 -1.331 427 H MET 61 H MET 61 -0.530 -5.964 -2.149 428 HA MET 61 HA MET 61 -2.010 -7.171 -4.357 429 HB2 MET 61 1HB MET 61 -3.903 -7.767 -2.977 430 HB3 MET 61 2HB MET 61 -2.465 -8.568 -2.359 431 HG2 MET 61 1HG MET 61 -3.335 -7.832 -0.405 432 HG3 MET 61 2HG MET 61 -2.366 -6.421 -0.826 433 HE1 MET 61 1HE MET 61 -3.754 -5.106 0.929 434 HE2 MET 61 2HE MET 61 -5.478 -4.756 0.807 435 HE3 MET 61 3HE MET 61 -4.936 -6.369 1.271 436 H ARG 62 H ARG 62 -3.311 -5.754 -5.364 437 HA ARG 62 HA ARG 62 -3.156 -3.031 -4.944 438 HB2 ARG 62 1HB ARG 62 -4.016 -4.244 -6.997 439 HB3 ARG 62 2HB ARG 62 -5.553 -4.405 -6.157 440 HG2 ARG 62 1HG ARG 62 -5.675 -1.945 -5.984 441 HG3 ARG 62 2HG ARG 62 -4.186 -1.835 -6.924 442 HD2 ARG 62 1HD ARG 62 -6.193 -1.509 -8.308 443 HD3 ARG 62 2HD ARG 62 -5.256 -2.917 -8.806 444 HE ARG 62 HE ARG 62 -7.909 -2.906 -7.644 445 HH11 ARG 62 2HH1 ARG 62 -5.086 -4.766 -8.473 446 HH12 ARG 62 1HH1 ARG 62 -5.925 -6.282 -8.477 447 HH21 ARG 62 2HH2 ARG 62 -9.026 -4.895 -7.646 448 HH22 ARG 62 1HH2 ARG 62 -8.167 -6.354 -8.007 449 H ILE 63 H ILE 63 -4.229 -1.552 -3.747 450 HA ILE 63 HA ILE 63 -6.426 -2.523 -2.039 451 HB ILE 63 HB ILE 63 -5.655 -1.012 -0.266 452 HG12 ILE 63 1HG1 ILE 63 -3.071 -0.641 -1.748 453 HG13 ILE 63 2HG1 ILE 63 -4.414 0.462 -2.027 454 HG21 ILE 63 1HG2 ILE 63 -3.302 -2.704 -1.013 455 HG22 ILE 63 2HG2 ILE 63 -4.014 -2.422 0.575 456 HG23 ILE 63 3HG2 ILE 63 -4.848 -3.442 -0.596 457 HD11 ILE 63 1HD1 ILE 63 -3.975 1.572 -0.164 458 HD12 ILE 63 2HD1 ILE 63 -3.944 0.089 0.791 459 HD13 ILE 63 3HD1 ILE 63 -2.487 0.633 -0.042 460 H TYR 64 H TYR 64 -5.358 -0.240 -4.303 461 HA TYR 64 HA TYR 64 -7.858 1.245 -4.012 462 HB2 TYR 64 1HB TYR 64 -6.586 2.819 -2.912 463 HB3 TYR 64 2HB TYR 64 -5.110 2.382 -3.766 464 HD1 TYR 64 2HD TYR 64 -4.813 3.146 -6.146 465 HD2 TYR 64 1HD TYR 64 -7.954 4.591 -3.667 466 HE1 TYR 64 2HE TYR 64 -5.116 5.062 -7.658 467 HE2 TYR 64 1HE TYR 64 -8.267 6.511 -5.173 468 HH TYR 64 HH TYR 64 -7.784 7.298 -7.278 469 H CYS 65 H CYS 65 -8.672 2.071 -5.921 470 HA CYS 65 HA CYS 65 -7.137 1.460 -8.359 471 HB2 CYS 65 1HB CYS 65 -9.276 0.859 -9.456 472 HB3 CYS 65 2HB CYS 65 -8.884 -0.209 -8.115 473 HG CYS 65 HG CYS 65 -11.703 0.489 -8.383 474 H GLY 66 H GLY 66 -6.873 3.123 -9.702 475 HA2 GLY 66 1HA GLY 66 -8.609 4.961 -10.632 476 HA3 GLY 66 2HA GLY 66 -8.147 5.650 -9.083 477 H LEU 67 H LEU 67 -7.617 7.149 -11.212 478 HA LEU 67 HA LEU 67 -4.796 6.687 -11.889 479 HB2 LEU 67 1HB LEU 67 -5.278 8.581 -13.555 480 HB3 LEU 67 2HB LEU 67 -5.945 6.981 -13.876 481 HG LEU 67 HG LEU 67 -7.653 8.965 -12.458 482 HD11 LEU 67 1HD1 LEU 67 -7.639 8.988 -15.432 483 HD12 LEU 67 2HD1 LEU 67 -6.441 9.954 -14.572 484 HD13 LEU 67 3HD1 LEU 67 -8.161 10.229 -14.293 485 HD21 LEU 67 1HD2 LEU 67 -9.235 7.773 -14.217 486 HD22 LEU 67 2HD2 LEU 67 -8.814 7.018 -12.680 487 HD23 LEU 67 3HD2 LEU 67 -7.967 6.549 -14.154 488 H LYS 68 H LYS 68 -6.186 7.976 -9.424 489 HA LYS 68 HA LYS 68 -5.144 10.671 -9.468 490 HB2 LYS 68 1HB LYS 68 -7.230 9.661 -8.182 491 HB3 LYS 68 2HB LYS 68 -6.023 9.343 -6.942 492 HG2 LYS 68 1HG LYS 68 -5.712 11.551 -6.479 493 HG3 LYS 68 2HG LYS 68 -6.126 12.068 -8.115 494 HD2 LYS 68 1HD LYS 68 -7.872 12.775 -6.623 495 HD3 LYS 68 2HD LYS 68 -8.495 11.473 -7.639 496 HE2 LYS 68 1HE LYS 68 -8.128 9.877 -5.831 497 HE3 LYS 68 2HE LYS 68 -7.466 11.160 -4.819 498 HZ1 LYS 68 1HZ LYS 68 -10.223 11.203 -5.912 499 HZ2 LYS 68 2HZ LYS 68 -9.567 12.225 -4.735 500 HZ3 LYS 68 3HZ LYS 68 -9.838 10.593 -4.382 501 H THR 69 H THR 69 -3.495 11.472 -8.108 502 HA THR 69 HA THR 69 -1.404 9.509 -7.568 503 HB THR 69 HB THR 69 0.095 11.436 -7.315 504 HG1 THR 69 1HG THR 69 -1.862 12.801 -6.620 505 HG21 THR 69 1HG2 THR 69 0.303 11.858 -9.562 506 HG22 THR 69 2HG2 THR 69 -1.433 12.064 -9.795 507 HG23 THR 69 3HG2 THR 69 -0.753 10.447 -9.610 508 H SER 70 H SER 70 -3.788 9.837 -5.832 509 HA SER 70 HA SER 70 -2.408 9.808 -3.319 510 HB2 SER 70 1HB SER 70 -3.459 11.666 -2.259 511 HB3 SER 70 2HB SER 70 -2.816 12.275 -3.784 512 HG SER 70 HG SER 70 -4.772 12.847 -4.247 513 H CYS 71 H CYS 71 -3.345 8.306 -2.105 514 HA CYS 71 HA CYS 71 -6.228 7.820 -2.426 515 HB2 CYS 71 1HB CYS 71 -5.937 5.478 -2.492 516 HB3 CYS 71 2HB CYS 71 -4.730 6.116 -3.602 517 HG CYS 71 HG CYS 71 -3.963 5.296 -0.376 518 H THR 72 H THR 72 -7.102 6.463 -0.585 519 HA THR 72 HA THR 72 -5.812 7.294 1.933 520 HB THR 72 HB THR 72 -8.768 6.825 1.518 521 HG1 THR 72 1HG THR 72 -7.637 9.374 1.913 522 HG21 THR 72 1HG2 THR 72 -7.067 7.361 3.831 523 HG22 THR 72 2HG2 THR 72 -8.720 6.750 3.760 524 HG23 THR 72 3HG2 THR 72 -8.416 8.486 3.681 525 H VAL 73 H VAL 73 -5.722 5.844 3.634 526 HA VAL 73 HA VAL 73 -6.565 3.084 3.037 527 HB VAL 73 HB VAL 73 -4.012 3.904 4.429 528 HG11 VAL 73 1HG1 VAL 73 -5.190 1.779 5.195 529 HG12 VAL 73 2HG1 VAL 73 -4.807 1.128 3.600 530 HG13 VAL 73 3HG1 VAL 73 -3.509 1.624 4.687 531 HG21 VAL 73 1HG2 VAL 73 -3.974 2.310 1.940 532 HG22 VAL 73 2HG2 VAL 73 -4.406 4.013 1.780 533 HG23 VAL 73 3HG2 VAL 73 -2.864 3.559 2.506 534 H THR 74 H THR 74 -8.122 2.548 4.411 535 HA THR 74 HA THR 74 -8.378 3.831 6.984 536 HB THR 74 HB THR 74 -10.377 2.322 7.236 537 HG1 THR 74 1HG THR 74 -10.980 1.380 5.075 538 HG21 THR 74 1HG2 THR 74 -11.746 3.591 5.784 539 HG22 THR 74 2HG2 THR 74 -10.433 3.831 4.632 540 HG23 THR 74 3HG2 THR 74 -10.392 4.642 6.197 541 H ALA 75 H ALA 75 -8.504 2.693 9.000 542 HA ALA 75 HA ALA 75 -6.363 1.063 9.586 543 HB1 ALA 75 1HB ALA 75 -7.173 1.854 11.529 544 HB2 ALA 75 2HB ALA 75 -8.844 1.828 10.964 545 HB3 ALA 75 3HB ALA 75 -8.086 0.345 11.543 546 H GLY 76 H GLY 76 -9.751 0.032 9.135 547 HA2 GLY 76 1HA GLY 76 -9.650 -2.627 9.533 548 HA3 GLY 76 2HA GLY 76 -10.547 -1.931 8.192 549 H GLN 77 H GLN 77 -8.195 -0.954 6.806 550 HA GLN 77 HA GLN 77 -7.500 -3.406 5.455 551 HB2 GLN 77 1HB GLN 77 -6.795 -0.517 4.948 552 HB3 GLN 77 2HB GLN 77 -6.200 -1.840 3.954 553 HG2 GLN 77 1HG GLN 77 -8.682 -2.453 3.667 554 HG3 GLN 77 2HG GLN 77 -8.995 -0.821 4.254 555 HE21 GLN 77 1HE2 GLN 77 -7.998 -2.754 1.618 556 HE22 GLN 77 2HE2 GLN 77 -7.764 -1.479 0.476 557 H LEU 78 H LEU 78 -5.705 -0.821 7.119 558 HA LEU 78 HA LEU 78 -3.139 -1.675 6.885 559 HB2 LEU 78 1HB LEU 78 -4.628 -0.370 9.110 560 HB3 LEU 78 2HB LEU 78 -2.971 -0.898 9.395 561 HG LEU 78 HG LEU 78 -3.689 0.921 7.113 562 HD11 LEU 78 1HD1 LEU 78 -3.092 2.810 8.507 563 HD12 LEU 78 2HD1 LEU 78 -2.854 1.743 9.891 564 HD13 LEU 78 3HD1 LEU 78 -4.465 1.949 9.204 565 HD21 LEU 78 1HD2 LEU 78 -1.368 -0.421 7.801 566 HD22 LEU 78 2HD2 LEU 78 -1.109 1.217 8.401 567 HD23 LEU 78 3HD2 LEU 78 -1.501 0.951 6.701 568 H ALA 79 H ALA 79 -5.664 -3.138 8.798 569 HA ALA 79 HA ALA 79 -4.195 -4.735 10.524 570 HB1 ALA 79 1HB ALA 79 -6.253 -5.302 11.117 571 HB2 ALA 79 2HB ALA 79 -6.897 -4.563 9.650 572 HB3 ALA 79 3HB ALA 79 -6.410 -6.258 9.644 573 H ASN 80 H ASN 80 -5.136 -5.347 7.163 574 HA ASN 80 HA ASN 80 -3.993 -7.964 7.083 575 HB2 ASN 80 1HB ASN 80 -4.429 -7.868 4.684 576 HB3 ASN 80 2HB ASN 80 -5.824 -7.269 5.576 577 HD21 ASN 80 1HD2 ASN 80 -6.680 -5.943 4.081 578 HD22 ASN 80 2HD2 ASN 80 -5.880 -4.553 3.438 579 H ALA 81 H ALA 81 -2.783 -4.761 6.669 580 HA ALA 81 HA ALA 81 -0.558 -5.250 5.034 581 HB1 ALA 81 1HB ALA 81 -1.637 -3.044 6.215 582 HB2 ALA 81 2HB ALA 81 -0.141 -3.248 7.128 583 HB3 ALA 81 3HB ALA 81 -0.088 -3.086 5.372 584 H HIS 82 H HIS 82 1.468 -5.987 5.413 585 HA HIS 82 HA HIS 82 1.921 -7.367 7.925 586 HB2 HIS 82 1HB HIS 82 2.599 -8.730 6.187 587 HB3 HIS 82 2HB HIS 82 3.202 -7.383 5.226 588 HD1 HIS 82 1HD HIS 82 4.215 -9.831 7.830 589 HD2 HIS 82 2HD HIS 82 5.833 -6.555 5.853 590 HE1 HIS 82 1HE HIS 82 6.680 -9.896 8.326 591 HE2 HIS 82 2HE HIS 82 7.624 -7.857 7.190 592 H ILE 83 H ILE 83 3.246 -6.721 9.510 593 HA ILE 83 HA ILE 83 4.727 -4.217 9.104 594 HB ILE 83 HB ILE 83 3.819 -5.533 11.665 595 HG12 ILE 83 1HG1 ILE 83 1.993 -4.514 10.389 596 HG13 ILE 83 2HG1 ILE 83 2.325 -3.587 11.848 597 HG21 ILE 83 1HG2 ILE 83 5.754 -4.445 12.309 598 HG22 ILE 83 2HG2 ILE 83 5.545 -3.155 11.125 599 HG23 ILE 83 3HG2 ILE 83 4.529 -3.202 12.566 600 HD11 ILE 83 1HD1 ILE 83 3.606 -1.979 10.503 601 HD12 ILE 83 2HD1 ILE 83 3.190 -2.892 9.052 602 HD13 ILE 83 3HD1 ILE 83 1.923 -2.106 9.994 603 H ASP 84 H ASP 84 6.864 -4.282 8.975 604 HA ASP 84 HA ASP 84 8.275 -6.745 9.572 605 HB2 ASP 84 1HB ASP 84 8.706 -5.374 7.501 606 HB3 ASP 84 2HB ASP 84 9.424 -4.147 8.541 607 H TYR 85 H TYR 85 9.229 -7.147 11.445 608 HA TYR 85 HA TYR 85 9.979 -4.869 13.158 609 HB2 TYR 85 1HB TYR 85 8.901 -7.585 13.915 610 HB3 TYR 85 2HB TYR 85 9.642 -6.490 15.076 611 HD1 TYR 85 1HD TYR 85 8.624 -3.952 14.774 612 HD2 TYR 85 2HD TYR 85 6.604 -7.605 13.952 613 HE1 TYR 85 1HE TYR 85 6.463 -2.821 15.092 614 HE2 TYR 85 2HE TYR 85 4.437 -6.484 14.267 615 HH TYR 85 HH TYR 85 4.104 -3.504 15.724 616 H THR 86 H THR 86 11.584 -6.263 11.126 617 HA THR 86 HA THR 86 13.475 -7.900 12.554 618 HB THR 86 HB THR 86 14.686 -8.071 10.494 619 HG1 THR 86 1HG THR 86 13.048 -5.911 9.609 620 HG21 THR 86 1HG2 THR 86 12.985 -9.528 10.140 621 HG22 THR 86 2HG2 THR 86 12.552 -8.372 8.880 622 HG23 THR 86 3HG2 THR 86 11.742 -8.315 10.445 623 H SER 87 H SER 87 13.574 -4.685 11.022 624 HA SER 87 HA SER 87 15.896 -4.053 12.725 625 HB2 SER 87 1HB SER 87 16.334 -4.136 10.239 626 HB3 SER 87 2HB SER 87 15.242 -2.761 10.070 627 HG SER 87 HG SER 87 17.646 -2.849 11.578 628 H ARG 88 H ARG 88 13.217 -2.473 10.977 629 HA ARG 88 HA ARG 88 12.694 -0.853 13.359 630 HB2 ARG 88 1HB ARG 88 13.408 0.164 10.636 631 HB3 ARG 88 2HB ARG 88 12.284 1.081 11.630 632 HG2 ARG 88 1HG ARG 88 13.881 1.652 13.160 633 HG3 ARG 88 2HG ARG 88 14.860 0.220 12.835 634 HD2 ARG 88 1HD ARG 88 15.431 1.194 10.617 635 HD3 ARG 88 2HD ARG 88 14.571 2.659 11.087 636 HE ARG 88 HE ARG 88 16.444 2.121 13.071 637 HH11 ARG 88 2HH1 ARG 88 16.393 2.948 9.689 638 HH12 ARG 88 1HH1 ARG 88 17.917 3.771 9.734 639 HH21 ARG 88 2HH2 ARG 88 18.451 3.202 13.142 640 HH22 ARG 88 1HH2 ARG 88 19.087 3.915 11.698 641 HA PRO 89 HA PRO 89 8.552 -2.038 12.376 642 HB2 PRO 89 1HB PRO 89 7.284 -0.362 14.094 643 HB3 PRO 89 2HB PRO 89 8.129 -1.821 14.624 644 HG2 PRO 89 1HG PRO 89 9.060 1.024 14.657 645 HG3 PRO 89 2HG PRO 89 9.236 -0.225 15.903 646 HD2 PRO 89 1HD PRO 89 11.245 0.443 14.216 647 HD3 PRO 89 2HD PRO 89 11.035 -1.203 14.846 648 H ALA 90 H ALA 90 8.447 -1.243 10.231 649 HA ALA 90 HA ALA 90 6.989 1.289 10.006 650 HB1 ALA 90 1HB ALA 90 9.550 1.402 9.447 651 HB2 ALA 90 2HB ALA 90 9.030 0.682 7.923 652 HB3 ALA 90 3HB ALA 90 8.367 2.233 8.437 653 H ILE 91 H ILE 91 6.018 1.521 7.767 654 HA ILE 91 HA ILE 91 4.936 -1.086 6.965 655 HB ILE 91 HB ILE 91 3.881 1.706 6.514 656 HG12 ILE 91 1HG1 ILE 91 2.833 -0.611 8.156 657 HG13 ILE 91 2HG1 ILE 91 3.594 0.841 8.797 658 HG21 ILE 91 1HG2 ILE 91 3.466 0.150 4.603 659 HG22 ILE 91 2HG2 ILE 91 2.577 -0.888 5.716 660 HG23 ILE 91 3HG2 ILE 91 2.005 0.747 5.389 661 HD11 ILE 91 1HD1 ILE 91 1.007 0.745 7.264 662 HD12 ILE 91 2HD1 ILE 91 1.175 0.928 9.010 663 HD13 ILE 91 3HD1 ILE 91 1.765 2.191 7.930 664 H VAL 92 H VAL 92 5.115 -1.858 4.924 665 HA VAL 92 HA VAL 92 6.835 -0.336 3.091 666 HB VAL 92 HB VAL 92 6.215 -3.288 3.216 667 HG11 VAL 92 1HG1 VAL 92 7.909 -3.478 1.389 668 HG12 VAL 92 2HG1 VAL 92 6.396 -2.711 0.902 669 HG13 VAL 92 3HG1 VAL 92 7.827 -1.726 1.206 670 HG21 VAL 92 1HG2 VAL 92 7.779 -2.754 4.892 671 HG22 VAL 92 2HG2 VAL 92 8.736 -3.372 3.546 672 HG23 VAL 92 3HG2 VAL 92 8.648 -1.636 3.841 673 H PHE 93 H PHE 93 5.791 0.745 1.562 674 HA PHE 93 HA PHE 93 3.247 -0.314 0.548 675 HB2 PHE 93 1HB PHE 93 4.445 2.457 0.485 676 HB3 PHE 93 2HB PHE 93 2.997 2.017 -0.414 677 HD1 PHE 93 1HD PHE 93 4.416 2.621 2.898 678 HD2 PHE 93 2HD PHE 93 0.907 1.598 0.717 679 HE1 PHE 93 1HE PHE 93 3.047 3.084 4.890 680 HE2 PHE 93 2HE PHE 93 -0.468 2.060 2.705 681 HZ PHE 93 HZ PHE 93 0.602 2.805 4.794 682 H ARG 94 H ARG 94 2.888 0.475 -1.853 683 HA ARG 94 HA ARG 94 5.226 0.391 -3.524 684 HB2 ARG 94 1HB ARG 94 4.545 -2.050 -2.775 685 HB3 ARG 94 2HB ARG 94 3.326 -1.858 -4.028 686 HG2 ARG 94 1HG ARG 94 5.289 -1.184 -5.544 687 HG3 ARG 94 2HG ARG 94 6.305 -1.908 -4.296 688 HD2 ARG 94 1HD ARG 94 4.948 -3.992 -4.508 689 HD3 ARG 94 2HD ARG 94 4.120 -3.252 -5.878 690 HE ARG 94 HE ARG 94 5.943 -3.715 -7.174 691 HH11 ARG 94 2HH1 ARG 94 6.863 -3.914 -3.822 692 HH12 ARG 94 1HH1 ARG 94 8.446 -4.532 -4.159 693 HH21 ARG 94 2HH2 ARG 94 8.025 -4.528 -7.630 694 HH22 ARG 94 1HH2 ARG 94 9.106 -4.880 -6.324 695 H ILE 95 H ILE 95 4.825 1.588 -5.263 696 HA ILE 95 HA ILE 95 2.062 1.756 -6.261 697 HB ILE 95 HB ILE 95 3.956 4.093 -5.985 698 HG12 ILE 95 1HG1 ILE 95 1.308 3.942 -4.616 699 HG13 ILE 95 2HG1 ILE 95 2.653 3.038 -3.928 700 HG21 ILE 95 1HG2 ILE 95 2.667 4.471 -7.913 701 HG22 ILE 95 2HG2 ILE 95 1.209 3.820 -7.166 702 HG23 ILE 95 3HG2 ILE 95 1.854 5.372 -6.633 703 HD11 ILE 95 1HD1 ILE 95 3.690 5.561 -4.441 704 HD12 ILE 95 2HD1 ILE 95 2.072 5.853 -3.803 705 HD13 ILE 95 3HD1 ILE 95 3.226 4.896 -2.875 706 H SER 96 H SER 96 1.826 2.121 -8.484 707 HA SER 96 HA SER 96 4.074 2.488 -10.211 708 HB2 SER 96 1HB SER 96 4.115 0.000 -9.463 709 HB3 SER 96 2HB SER 96 2.727 -0.181 -10.535 710 HG SER 96 HG SER 96 5.227 0.908 -11.319 711 H ALA 97 H ALA 97 3.469 2.706 -12.430 712 HA ALA 97 HA ALA 97 0.596 3.243 -12.765 713 HB1 ALA 97 1HB ALA 97 1.523 4.598 -14.787 714 HB2 ALA 97 2HB ALA 97 1.643 5.258 -13.156 715 HB3 ALA 97 3HB ALA 97 3.049 4.505 -13.907 716 H LYS 98 H LYS 98 -0.559 2.197 -14.274 717 HA LYS 98 HA LYS 98 0.799 0.131 -15.829 718 HB2 LYS 98 1HB LYS 98 -1.239 -0.354 -14.406 719 HB3 LYS 98 2HB LYS 98 -2.174 0.582 -15.565 720 HG2 LYS 98 1HG LYS 98 -1.474 -0.974 -17.344 721 HG3 LYS 98 2HG LYS 98 -0.624 -1.936 -16.132 722 HD2 LYS 98 1HD LYS 98 -2.569 -2.703 -15.180 723 HD3 LYS 98 2HD LYS 98 -3.502 -1.296 -15.696 724 HE2 LYS 98 1HE LYS 98 -2.447 -3.397 -17.580 725 HE3 LYS 98 2HE LYS 98 -4.064 -3.433 -16.880 726 HZ1 LYS 98 1HZ LYS 98 -4.159 -2.450 -19.046 727 HZ2 LYS 98 2HZ LYS 98 -2.951 -1.332 -18.658 728 HZ3 LYS 98 3HZ LYS 98 -4.461 -1.241 -17.901 729 H ASN 99 H ASN 99 1.332 0.491 -17.872 730 HA ASN 99 HA ASN 99 -0.157 2.534 -19.379 731 HB2 ASN 99 1HB ASN 99 1.858 2.722 -20.796 732 HB3 ASN 99 2HB ASN 99 2.206 3.074 -19.105 733 HD21 ASN 99 1HD2 ASN 99 3.941 2.169 -21.306 734 HD22 ASN 99 2HD2 ASN 99 4.698 0.725 -20.733 735 H GLU 100 H GLU 100 0.365 2.014 -21.915 736 HA GLU 100 HA GLU 100 -1.373 0.011 -22.661 737 HB2 GLU 100 1HB GLU 100 0.960 1.147 -24.209 738 HB3 GLU 100 2HB GLU 100 -0.305 0.151 -24.914 739 HG2 GLU 100 1HG GLU 100 -1.948 1.884 -24.091 740 HG3 GLU 100 2HG GLU 100 -0.553 2.903 -23.744 741 H LYS 101 H LYS 101 2.022 -0.205 -21.901 742 HA LYS 101 HA LYS 101 2.321 -2.877 -22.943 743 HB2 LYS 101 1HB LYS 101 4.061 -0.911 -21.542 744 HB3 LYS 101 2HB LYS 101 4.497 -2.611 -21.416 745 HG2 LYS 101 1HG LYS 101 3.934 -1.405 -24.090 746 HG3 LYS 101 2HG LYS 101 5.500 -1.163 -23.313 747 HD2 LYS 101 1HD LYS 101 5.902 -3.519 -23.234 748 HD3 LYS 101 2HD LYS 101 4.254 -3.872 -23.758 749 HE2 LYS 101 1HE LYS 101 6.352 -2.449 -25.393 750 HE3 LYS 101 2HE LYS 101 5.879 -4.137 -25.579 751 HZ1 LYS 101 1HZ LYS 101 4.638 -3.075 -27.185 752 HZ2 LYS 101 2HZ LYS 101 4.353 -1.706 -26.234 753 HZ3 LYS 101 3HZ LYS 101 3.537 -3.150 -25.902 754 H GLY 102 H GLY 102 2.445 -1.464 -19.664 755 HA2 GLY 102 1HA GLY 102 0.753 -3.176 -18.372 756 HA3 GLY 102 2HA GLY 102 2.278 -4.048 -18.418 757 H TYR 103 H TYR 103 2.914 -3.990 -16.336 758 HA TYR 103 HA TYR 103 2.950 -1.389 -14.969 759 HB2 TYR 103 1HB TYR 103 2.891 -4.227 -13.995 760 HB3 TYR 103 2HB TYR 103 3.489 -2.946 -12.946 761 HD1 TYR 103 2HD TYR 103 1.924 -0.930 -12.561 762 HD2 TYR 103 1HD TYR 103 0.605 -4.660 -14.126 763 HE1 TYR 103 2HE TYR 103 -0.383 -0.379 -11.912 764 HE2 TYR 103 1HE TYR 103 -1.707 -4.119 -13.482 765 HH TYR 103 HH TYR 103 -3.088 -2.386 -12.863 766 H GLY 104 H GLY 104 4.814 -0.340 -14.844 767 HA2 GLY 104 1HA GLY 104 7.285 -1.651 -15.585 768 HA3 GLY 104 2HA GLY 104 7.074 0.056 -15.223 769 HA PRO 105 HA PRO 105 9.478 -1.587 -11.706 770 HB2 PRO 105 1HB PRO 105 10.806 0.738 -11.262 771 HB3 PRO 105 2HB PRO 105 11.319 -0.445 -12.472 772 HG2 PRO 105 1HG PRO 105 9.759 2.084 -12.837 773 HG3 PRO 105 2HG PRO 105 11.088 1.437 -13.818 774 HD2 PRO 105 1HD PRO 105 8.490 1.199 -14.545 775 HD3 PRO 105 2HD PRO 105 9.710 -0.027 -14.944 776 H ALA 106 H ALA 106 8.639 -1.619 -9.723 777 HA ALA 106 HA ALA 106 6.852 0.546 -8.899 778 HB1 ALA 106 1HB ALA 106 5.822 -0.949 -7.458 779 HB2 ALA 106 2HB ALA 106 6.264 -1.972 -8.825 780 HB3 ALA 106 3HB ALA 106 7.243 -1.989 -7.358 781 H THR 107 H THR 107 7.359 1.963 -7.351 782 HA THR 107 HA THR 107 9.987 1.815 -6.132 783 HB THR 107 HB THR 107 7.862 3.961 -5.975 784 HG1 THR 107 1HG THR 107 8.743 4.642 -7.767 785 HG21 THR 107 1HG2 THR 107 9.862 3.573 -4.161 786 HG22 THR 107 2HG2 THR 107 9.142 5.137 -4.544 787 HG23 THR 107 3HG2 THR 107 10.642 4.640 -5.327 788 H GLN 108 H GLN 108 10.422 1.405 -4.035 789 HA GLN 108 HA GLN 108 8.152 0.667 -2.325 790 HB2 GLN 108 1HB GLN 108 9.838 -1.084 -2.763 791 HB3 GLN 108 2HB GLN 108 11.075 -0.055 -2.053 792 HG2 GLN 108 1HG GLN 108 10.113 -0.225 0.099 793 HG3 GLN 108 2HG GLN 108 8.643 -0.958 -0.541 794 HE21 GLN 108 1HE2 GLN 108 9.902 -2.179 1.499 795 HE22 GLN 108 2HE2 GLN 108 10.676 -3.626 0.960 796 H ILE 109 H ILE 109 7.831 1.581 -0.351 797 HA ILE 109 HA ILE 109 9.799 3.517 0.634 798 HB ILE 109 HB ILE 109 8.163 4.813 -0.656 799 HG12 ILE 109 1HG1 ILE 109 7.713 5.246 2.299 800 HG13 ILE 109 2HG1 ILE 109 9.212 5.672 1.480 801 HG21 ILE 109 1HG2 ILE 109 6.294 3.158 -0.282 802 HG22 ILE 109 2HG2 ILE 109 6.076 3.894 1.305 803 HG23 ILE 109 3HG2 ILE 109 5.850 4.860 -0.154 804 HD11 ILE 109 1HD1 ILE 109 8.096 7.286 0.131 805 HD12 ILE 109 2HD1 ILE 109 6.517 6.754 0.710 806 HD13 ILE 109 3HD1 ILE 109 7.634 7.561 1.810 807 H ARG 110 H ARG 110 10.121 3.358 2.760 808 HA ARG 110 HA ARG 110 8.312 1.648 4.304 809 HB2 ARG 110 1HB ARG 110 11.158 2.539 4.744 810 HB3 ARG 110 2HB ARG 110 10.223 1.722 5.989 811 HG2 ARG 110 1HG ARG 110 9.958 -0.215 4.544 812 HG3 ARG 110 2HG ARG 110 10.854 0.607 3.264 813 HD2 ARG 110 1HD ARG 110 12.780 0.778 4.873 814 HD3 ARG 110 2HD ARG 110 11.877 -0.283 5.953 815 HE ARG 110 HE ARG 110 12.411 -2.057 4.604 816 HH11 ARG 110 2HH1 ARG 110 13.071 0.913 2.912 817 HH12 ARG 110 1HH1 ARG 110 13.875 0.134 1.590 818 HH21 ARG 110 2HH2 ARG 110 13.467 -3.095 2.869 819 HH22 ARG 110 1HH2 ARG 110 14.099 -2.146 1.566 820 H TRP 111 H TRP 111 6.699 2.823 5.156 821 HA TRP 111 HA TRP 111 7.188 5.499 6.171 822 HB2 TRP 111 1HB TRP 111 5.119 4.908 4.880 823 HB3 TRP 111 2HB TRP 111 4.622 3.901 6.237 824 HD1 TRP 111 HD TRP 111 5.789 7.602 5.896 825 HE1 TRP 111 1HE TRP 111 4.205 9.053 7.314 826 HE3 TRP 111 3HE TRP 111 2.725 3.931 7.706 827 HZ2 TRP 111 2HZ TRP 111 1.954 8.690 8.979 828 HZ3 TRP 111 3HZ TRP 111 0.881 4.567 9.206 829 HH2 TRP 111 HH TRP 111 0.505 6.898 9.828 830 H LEU 112 H LEU 112 7.982 5.755 8.146 831 HA LEU 112 HA LEU 112 7.883 3.704 10.131 832 HB2 LEU 112 1HB LEU 112 8.936 6.489 9.991 833 HB3 LEU 112 2HB LEU 112 8.753 5.723 11.568 834 HG LEU 112 HG LEU 112 10.334 4.448 9.352 835 HD11 LEU 112 1HD1 LEU 112 11.159 6.567 11.300 836 HD12 LEU 112 2HD1 LEU 112 11.485 6.455 9.571 837 HD13 LEU 112 3HD1 LEU 112 12.317 5.382 10.696 838 HD21 LEU 112 1HD2 LEU 112 9.636 3.034 11.233 839 HD22 LEU 112 2HD2 LEU 112 10.413 4.154 12.353 840 HD23 LEU 112 3HD2 LEU 112 11.386 3.255 11.188 841 H GLN 113 H GLN 113 6.358 3.330 11.594 842 HA GLN 113 HA GLN 113 3.995 4.911 11.709 843 HB2 GLN 113 1HB GLN 113 4.922 2.682 13.529 844 HB3 GLN 113 2HB GLN 113 3.296 3.350 13.483 845 HG2 GLN 113 1HG GLN 113 3.292 2.672 11.016 846 HG3 GLN 113 2HG GLN 113 4.701 1.693 11.423 847 HE21 GLN 113 1HE2 GLN 113 4.437 -0.182 12.523 848 HE22 GLN 113 2HE2 GLN 113 2.900 -0.834 12.965 849 H GLY 114 H GLY 114 3.271 6.320 13.256 850 HA2 GLY 114 1HA GLY 114 3.840 6.862 15.762 851 HA3 GLY 114 2HA GLY 114 5.340 7.404 15.023 852 H ASN 115 H ASN 115 2.425 8.424 16.130 853 HA ASN 115 HA ASN 115 2.694 10.968 14.755 854 HB2 ASN 115 1HB ASN 115 0.526 11.064 13.849 855 HB3 ASN 115 2HB ASN 115 1.088 9.447 13.438 856 HD21 ASN 115 1HD2 ASN 115 -1.222 11.309 15.124 857 HD22 ASN 115 2HD2 ASN 115 -2.146 10.000 15.768 858 H SER 116 H SER 116 0.846 12.488 15.631 859 HA SER 116 HA SER 116 0.703 12.055 18.543 860 HB2 SER 116 1HB SER 116 0.881 14.664 17.016 861 HB3 SER 116 2HB SER 116 0.710 14.523 18.765 862 HG SER 116 HG SER 116 2.812 13.181 17.483 863 H LYS 117 H LYS 117 -1.258 11.843 19.378 864 HA LYS 117 HA LYS 117 -3.600 12.123 17.767 865 HB2 LYS 117 1HB LYS 117 -3.441 10.384 19.476 866 HB3 LYS 117 2HB LYS 117 -3.296 11.606 20.731 867 HG2 LYS 117 1HG LYS 117 -5.569 12.429 20.044 868 HG3 LYS 117 2HG LYS 117 -5.694 10.992 19.027 869 HD2 LYS 117 1HD LYS 117 -5.105 10.872 21.978 870 HD3 LYS 117 2HD LYS 117 -6.742 10.818 21.320 871 HE2 LYS 117 1HE LYS 117 -5.684 8.909 19.824 872 HE3 LYS 117 2HE LYS 117 -4.561 8.801 21.178 873 HZ1 LYS 117 1HZ LYS 117 -6.273 7.312 21.674 874 HZ2 LYS 117 2HZ LYS 117 -7.489 8.384 21.193 875 HZ3 LYS 117 3HZ LYS 117 -6.624 8.672 22.618 876 H SER 118 H SER 118 -4.663 13.939 17.380 877 HA SER 118 HA SER 118 -4.756 16.003 19.472 878 HB2 SER 118 1HB SER 118 -3.151 16.405 17.412 879 HB3 SER 118 2HB SER 118 -4.655 16.837 16.600 880 HG SER 118 HG SER 118 -3.225 18.381 18.117 881 H GLY 119 H GLY 119 -6.819 16.046 20.092 882 HA2 GLY 119 1HA GLY 119 -9.092 16.378 19.975 883 HA3 GLY 119 2HA GLY 119 -8.870 16.847 18.295 884 HA PRO 120 HA PRO 120 -9.506 12.031 18.442 885 HB2 PRO 120 1HB PRO 120 -10.633 11.091 20.726 886 HB3 PRO 120 2HB PRO 120 -8.885 11.189 20.488 887 HG2 PRO 120 1HG PRO 120 -10.703 13.058 21.957 888 HG3 PRO 120 2HG PRO 120 -9.101 12.458 22.424 889 HD2 PRO 120 1HD PRO 120 -9.481 14.916 21.353 890 HD3 PRO 120 2HD PRO 120 -8.003 13.973 21.077 891 H SER 121 H SER 121 -11.407 10.912 17.878 892 HA SER 121 HA SER 121 -13.993 11.917 18.647 893 HB2 SER 121 1HB SER 121 -14.724 12.560 16.406 894 HB3 SER 121 2HB SER 121 -13.337 13.535 16.892 895 HG SER 121 HG SER 121 -12.989 12.820 14.810 896 H SER 122 H SER 122 -15.745 10.613 17.822 897 HA SER 122 HA SER 122 -14.862 7.878 17.270 898 HB2 SER 122 1HB SER 122 -17.358 9.078 18.425 899 HB3 SER 122 2HB SER 122 -17.403 7.453 17.742 900 HG SER 122 HG SER 122 -15.979 6.767 19.257 901 H GLY 123 H GLY 123 -14.720 7.378 15.182 902 HA2 GLY 123 1HA GLY 123 -15.200 7.249 12.938 903 HA3 GLY 123 2HA GLY 123 -16.874 7.172 13.469 Start of MODEL 5 1 H1 GLY 1 H GLY 1 22.189 1.664 -15.101 2 HA2 GLY 1 1HA GLY 1 21.684 -1.135 -15.889 3 HA3 GLY 1 2HA GLY 1 20.581 0.202 -16.184 4 H SER 2 H SER 2 20.758 -0.918 -18.375 5 HA SER 2 HA SER 2 23.036 0.199 -19.873 6 HB2 SER 2 1HB SER 2 22.732 -1.579 -21.501 7 HB3 SER 2 2HB SER 2 22.881 -2.287 -19.893 8 HG SER 2 HG SER 2 20.495 -1.865 -21.368 9 H SER 3 H SER 3 22.333 0.363 -22.340 10 HA SER 3 HA SER 3 20.319 2.401 -22.401 11 HB2 SER 3 1HB SER 3 22.515 2.145 -23.829 12 HB3 SER 3 2HB SER 3 21.471 1.205 -24.895 13 HG SER 3 HG SER 3 21.032 3.877 -24.039 14 H GLY 4 H GLY 4 18.241 2.262 -23.003 15 HA2 GLY 4 1HA GLY 4 16.973 0.759 -24.832 16 HA3 GLY 4 2HA GLY 4 17.141 -0.377 -23.501 17 H SER 5 H SER 5 14.807 -0.430 -23.472 18 HA SER 5 HA SER 5 13.505 1.991 -22.469 19 HB2 SER 5 1HB SER 5 11.408 0.890 -22.960 20 HB3 SER 5 2HB SER 5 12.470 0.712 -24.356 21 HG SER 5 HG SER 5 13.038 -1.390 -23.331 22 H SER 6 H SER 6 11.999 1.802 -20.651 23 HA SER 6 HA SER 6 12.846 -0.243 -18.704 24 HB2 SER 6 1HB SER 6 12.512 2.722 -18.361 25 HB3 SER 6 2HB SER 6 12.295 1.641 -16.985 26 HG SER 6 HG SER 6 14.431 0.795 -17.565 27 H GLY 7 H GLY 7 10.275 1.993 -19.685 28 HA2 GLY 7 1HA GLY 7 8.111 0.533 -19.839 29 HA3 GLY 7 2HA GLY 7 8.342 0.460 -18.099 30 HA PRO 8 HA PRO 8 5.592 4.060 -18.914 31 HB2 PRO 8 1HB PRO 8 4.008 3.614 -16.754 32 HB3 PRO 8 2HB PRO 8 3.754 2.820 -18.313 33 HG2 PRO 8 1HG PRO 8 5.100 1.774 -15.852 34 HG3 PRO 8 2HG PRO 8 3.962 0.956 -16.938 35 HD2 PRO 8 1HD PRO 8 6.637 0.556 -17.062 36 HD3 PRO 8 2HD PRO 8 5.593 0.483 -18.496 37 H GLY 9 H GLY 9 7.856 3.167 -16.606 38 HA2 GLY 9 1HA GLY 9 9.196 4.639 -15.374 39 HA3 GLY 9 2HA GLY 9 7.991 5.896 -15.607 40 H ALA 10 H ALA 10 9.259 5.376 -13.152 41 HA ALA 10 HA ALA 10 7.056 4.233 -11.561 42 HB1 ALA 10 1HB ALA 10 8.533 3.320 -10.102 43 HB2 ALA 10 2HB ALA 10 9.566 3.335 -11.531 44 HB3 ALA 10 3HB ALA 10 9.718 4.608 -10.320 45 HA PRO 11 HA PRO 11 6.301 8.163 -9.748 46 HB2 PRO 11 1HB PRO 11 5.421 7.415 -7.291 47 HB3 PRO 11 2HB PRO 11 4.460 7.207 -8.760 48 HG2 PRO 11 1HG PRO 11 6.127 5.204 -7.288 49 HG3 PRO 11 2HG PRO 11 4.513 5.012 -7.997 50 HD2 PRO 11 1HD PRO 11 6.758 4.124 -9.224 51 HD3 PRO 11 2HD PRO 11 5.345 4.712 -10.125 52 H SER 12 H SER 12 7.190 9.691 -8.372 53 HA SER 12 HA SER 12 9.317 8.806 -6.553 54 HB2 SER 12 1HB SER 12 9.570 10.857 -8.752 55 HB3 SER 12 2HB SER 12 10.677 10.803 -7.381 56 HG SER 12 HG SER 12 10.185 8.467 -8.859 57 H THR 13 H THR 13 10.077 10.675 -5.154 58 HA THR 13 HA THR 13 9.558 12.132 -3.479 59 HB THR 13 HB THR 13 7.751 13.467 -5.496 60 HG1 THR 13 1HG THR 13 10.443 14.203 -5.184 61 HG21 THR 13 1HG2 THR 13 9.079 15.409 -4.104 62 HG22 THR 13 2HG2 THR 13 8.853 14.168 -2.871 63 HG23 THR 13 3HG2 THR 13 7.459 14.825 -3.728 64 H VAL 14 H VAL 14 8.162 9.868 -3.156 65 HA VAL 14 HA VAL 14 5.332 10.362 -2.944 66 HB VAL 14 HB VAL 14 7.037 8.063 -1.982 67 HG11 VAL 14 1HG1 VAL 14 4.261 8.766 -1.406 68 HG12 VAL 14 2HG1 VAL 14 4.461 7.141 -2.064 69 HG13 VAL 14 3HG1 VAL 14 5.330 7.616 -0.604 70 HG21 VAL 14 1HG2 VAL 14 6.503 6.967 -3.908 71 HG22 VAL 14 2HG2 VAL 14 4.964 7.808 -4.094 72 HG23 VAL 14 3HG2 VAL 14 6.471 8.623 -4.513 73 H ARG 15 H ARG 15 4.211 11.018 -1.205 74 HA ARG 15 HA ARG 15 5.665 11.300 1.342 75 HB2 ARG 15 1HB ARG 15 3.664 13.198 0.106 76 HB3 ARG 15 2HB ARG 15 4.268 13.333 1.752 77 HG2 ARG 15 1HG ARG 15 6.585 13.469 0.752 78 HG3 ARG 15 2HG ARG 15 5.794 13.658 -0.814 79 HD2 ARG 15 1HD ARG 15 4.756 15.680 -0.147 80 HD3 ARG 15 2HD ARG 15 5.179 15.420 1.545 81 HE ARG 15 HE ARG 15 6.805 16.626 -0.456 82 HH11 ARG 15 2HH1 ARG 15 6.915 14.653 2.411 83 HH12 ARG 15 1HH1 ARG 15 8.520 15.141 2.842 84 HH21 ARG 15 2HH2 ARG 15 8.919 17.275 0.102 85 HH22 ARG 15 1HH2 ARG 15 9.659 16.633 1.529 86 H ILE 16 H ILE 16 4.543 10.867 3.228 87 HA ILE 16 HA ILE 16 1.815 9.806 2.915 88 HB ILE 16 HB ILE 16 3.944 8.587 4.675 89 HG12 ILE 16 1HG1 ILE 16 2.762 7.511 2.106 90 HG13 ILE 16 2HG1 ILE 16 4.355 8.247 2.239 91 HG21 ILE 16 1HG2 ILE 16 1.460 7.147 3.977 92 HG22 ILE 16 2HG2 ILE 16 2.383 7.158 5.478 93 HG23 ILE 16 3HG2 ILE 16 1.304 8.500 5.097 94 HD11 ILE 16 1HD1 ILE 16 4.071 6.164 4.185 95 HD12 ILE 16 2HD1 ILE 16 3.680 5.561 2.574 96 HD13 ILE 16 3HD1 ILE 16 5.240 6.326 2.875 97 H SER 17 H SER 17 0.419 10.834 4.169 98 HA SER 17 HA SER 17 1.375 11.953 6.723 99 HB2 SER 17 1HB SER 17 -0.420 13.181 4.640 100 HB3 SER 17 2HB SER 17 -0.478 13.711 6.321 101 HG SER 17 HG SER 17 1.030 15.003 5.491 102 H LYS 18 H LYS 18 0.226 11.452 8.490 103 HA LYS 18 HA LYS 18 -1.779 9.454 8.364 104 HB2 LYS 18 1HB LYS 18 -0.132 9.934 10.267 105 HB3 LYS 18 2HB LYS 18 -1.239 11.212 10.751 106 HG2 LYS 18 1HG LYS 18 -2.997 9.626 11.129 107 HG3 LYS 18 2HG LYS 18 -2.015 8.317 10.470 108 HD2 LYS 18 1HD LYS 18 -0.939 9.888 12.759 109 HD3 LYS 18 2HD LYS 18 -2.216 8.710 13.073 110 HE2 LYS 18 1HE LYS 18 0.226 7.979 11.492 111 HE3 LYS 18 2HE LYS 18 0.235 7.944 13.255 112 HZ1 LYS 18 1HZ LYS 18 -0.813 6.041 11.454 113 HZ2 LYS 18 2HZ LYS 18 -2.059 6.619 12.441 114 HZ3 LYS 18 3HZ LYS 18 -0.674 5.943 13.137 115 H ASN 19 H ASN 19 -3.945 9.584 8.331 116 HA ASN 19 HA ASN 19 -5.136 12.274 8.388 117 HB2 ASN 19 1HB ASN 19 -5.270 10.621 6.326 118 HB3 ASN 19 2HB ASN 19 -6.591 9.921 7.257 119 HD21 ASN 19 1HD2 ASN 19 -8.357 10.558 6.218 120 HD22 ASN 19 2HD2 ASN 19 -8.761 12.196 5.844 121 H VAL 20 H VAL 20 -7.492 12.265 9.095 122 HA VAL 20 HA VAL 20 -7.623 11.189 11.743 123 HB VAL 20 HB VAL 20 -9.732 12.630 10.129 124 HG11 VAL 20 1HG1 VAL 20 -10.970 12.900 12.128 125 HG12 VAL 20 2HG1 VAL 20 -10.551 11.188 12.037 126 HG13 VAL 20 3HG1 VAL 20 -9.656 12.261 13.114 127 HG21 VAL 20 1HG2 VAL 20 -7.880 14.081 10.440 128 HG22 VAL 20 2HG2 VAL 20 -9.087 14.541 11.640 129 HG23 VAL 20 3HG2 VAL 20 -7.686 13.584 12.121 130 H ASP 21 H ASP 21 -9.161 10.455 8.657 131 HA ASP 21 HA ASP 21 -10.619 8.235 9.901 132 HB2 ASP 21 1HB ASP 21 -10.979 9.843 7.420 133 HB3 ASP 21 2HB ASP 21 -11.515 8.165 7.387 134 H GLY 22 H GLY 22 -7.655 8.438 9.128 135 HA2 GLY 22 1HA GLY 22 -6.862 5.957 8.778 136 HA3 GLY 22 2HA GLY 22 -7.485 6.272 7.165 137 H ILE 23 H ILE 23 -5.509 6.073 6.140 138 HA ILE 23 HA ILE 23 -3.492 8.104 6.838 139 HB ILE 23 HB ILE 23 -3.069 5.515 5.341 140 HG12 ILE 23 1HG1 ILE 23 -2.114 6.236 8.114 141 HG13 ILE 23 2HG1 ILE 23 -3.593 5.329 7.815 142 HG21 ILE 23 1HG2 ILE 23 -0.872 6.072 5.070 143 HG22 ILE 23 2HG2 ILE 23 -1.598 7.676 4.979 144 HG23 ILE 23 3HG2 ILE 23 -0.850 7.131 6.480 145 HD11 ILE 23 1HD1 ILE 23 -2.389 3.514 6.888 146 HD12 ILE 23 2HD1 ILE 23 -0.893 4.447 6.842 147 HD13 ILE 23 3HD1 ILE 23 -1.581 3.961 8.391 148 H HIS 24 H HIS 24 -2.759 9.492 5.300 149 HA HIS 24 HA HIS 24 -4.177 9.444 2.728 150 HB2 HIS 24 1HB HIS 24 -4.167 11.466 4.410 151 HB3 HIS 24 2HB HIS 24 -2.601 11.805 3.680 152 HD1 HIS 24 1HD HIS 24 -2.951 13.660 2.087 153 HD2 HIS 24 2HD HIS 24 -6.014 10.860 1.892 154 HE1 HIS 24 1HE HIS 24 -4.445 14.427 0.215 155 HE2 HIS 24 2HE HIS 24 -6.336 12.764 0.172 156 H LEU 25 H LEU 25 -2.943 8.172 1.425 157 HA LEU 25 HA LEU 25 -0.064 8.538 1.320 158 HB2 LEU 25 1HB LEU 25 -1.416 6.320 1.126 159 HB3 LEU 25 2HB LEU 25 -1.610 6.801 -0.559 160 HG LEU 25 HG LEU 25 1.035 7.020 -0.399 161 HD11 LEU 25 1HD1 LEU 25 0.775 6.282 2.081 162 HD12 LEU 25 2HD1 LEU 25 2.080 5.616 1.100 163 HD13 LEU 25 3HD1 LEU 25 0.623 4.666 1.391 164 HD21 LEU 25 1HD2 LEU 25 0.925 4.396 -0.923 165 HD22 LEU 25 2HD2 LEU 25 0.395 5.631 -2.065 166 HD23 LEU 25 3HD2 LEU 25 -0.789 4.791 -1.062 167 H SER 26 H SER 26 0.820 10.048 0.089 168 HA SER 26 HA SER 26 -0.509 10.757 -2.444 169 HB2 SER 26 1HB SER 26 0.173 13.061 -2.149 170 HB3 SER 26 2HB SER 26 -0.709 12.547 -0.712 171 HG SER 26 HG SER 26 1.173 13.646 -0.118 172 H TRP 27 H TRP 27 0.892 11.468 -4.154 173 HA TRP 27 HA TRP 27 3.738 11.196 -3.896 174 HB2 TRP 27 1HB TRP 27 3.982 9.331 -5.483 175 HB3 TRP 27 2HB TRP 27 3.121 8.832 -4.029 176 HD1 TRP 27 HD TRP 27 2.471 9.636 -7.741 177 HE1 TRP 27 1HE TRP 27 0.292 8.463 -8.450 178 HE3 TRP 27 3HE TRP 27 0.990 7.851 -3.185 179 HZ2 TRP 27 2HZ TRP 27 -1.780 6.978 -7.238 180 HZ3 TRP 27 3HZ TRP 27 -1.102 6.564 -3.046 181 HH2 TRP 27 HH TRP 27 -2.458 6.138 -5.032 182 H GLU 28 H GLU 28 4.849 11.562 -5.996 183 HA GLU 28 HA GLU 28 3.281 13.442 -7.607 184 HB2 GLU 28 1HB GLU 28 6.262 13.066 -7.297 185 HB3 GLU 28 2HB GLU 28 5.532 14.195 -8.429 186 HG2 GLU 28 1HG GLU 28 4.312 15.070 -6.280 187 HG3 GLU 28 2HG GLU 28 5.675 14.308 -5.463 188 HA PRO 29 HA PRO 29 3.215 10.836 -11.141 189 HB2 PRO 29 1HB PRO 29 3.253 12.688 -13.126 190 HB3 PRO 29 2HB PRO 29 1.837 12.401 -12.107 191 HG2 PRO 29 1HG PRO 29 3.915 14.547 -11.904 192 HG3 PRO 29 2HG PRO 29 2.155 14.674 -11.730 193 HD2 PRO 29 1HD PRO 29 3.825 14.585 -9.601 194 HD3 PRO 29 2HD PRO 29 2.187 13.904 -9.558 195 HA PRO 30 HA PRO 30 7.351 10.182 -12.517 196 HB2 PRO 30 1HB PRO 30 6.861 8.775 -14.786 197 HB3 PRO 30 2HB PRO 30 6.653 8.092 -13.169 198 HG2 PRO 30 1HG PRO 30 4.595 9.217 -15.029 199 HG3 PRO 30 2HG PRO 30 4.519 7.755 -14.029 200 HD2 PRO 30 1HD PRO 30 3.331 10.079 -13.306 201 HD3 PRO 30 2HD PRO 30 3.995 8.937 -12.120 202 H THR 31 H THR 31 8.511 11.844 -13.269 203 HA THR 31 HA THR 31 7.605 13.383 -15.558 204 HB THR 31 HB THR 31 8.505 14.661 -13.730 205 HG1 THR 31 1HG THR 31 10.338 15.654 -14.893 206 HG21 THR 31 1HG2 THR 31 10.129 13.848 -12.442 207 HG22 THR 31 2HG2 THR 31 11.267 14.043 -13.775 208 HG23 THR 31 3HG2 THR 31 10.392 12.526 -13.578 209 H SER 32 H SER 32 8.232 10.734 -16.209 210 HA SER 32 HA SER 32 10.802 10.957 -17.621 211 HB2 SER 32 1HB SER 32 10.355 8.412 -17.970 212 HB3 SER 32 2HB SER 32 10.890 8.977 -16.388 213 HG SER 32 HG SER 32 8.618 7.711 -17.046 214 HA PRO 33 HA PRO 33 8.844 11.265 -21.538 215 HB2 PRO 33 1HB PRO 33 10.638 9.967 -23.110 216 HB3 PRO 33 2HB PRO 33 10.944 11.567 -22.423 217 HG2 PRO 33 1HG PRO 33 11.873 8.885 -21.470 218 HG3 PRO 33 2HG PRO 33 12.776 10.407 -21.584 219 HD2 PRO 33 1HD PRO 33 11.748 9.495 -19.251 220 HD3 PRO 33 2HD PRO 33 11.892 11.226 -19.619 221 H SER 34 H SER 34 8.953 8.446 -19.845 222 HA SER 34 HA SER 34 8.588 6.277 -21.346 223 HB2 SER 34 1HB SER 34 6.773 7.214 -19.117 224 HB3 SER 34 2HB SER 34 6.715 5.590 -19.799 225 HG SER 34 HG SER 34 8.685 5.158 -18.983 226 H GLY 35 H GLY 35 6.172 8.856 -21.029 227 HA2 GLY 35 1HA GLY 35 5.127 9.278 -23.336 228 HA3 GLY 35 2HA GLY 35 4.628 7.598 -23.201 229 H ASN 36 H ASN 36 2.544 7.457 -22.738 230 HA ASN 36 HA ASN 36 1.328 9.518 -21.036 231 HB2 ASN 36 1HB ASN 36 0.287 7.737 -23.200 232 HB3 ASN 36 2HB ASN 36 -0.825 8.281 -21.948 233 HD21 ASN 36 1HD2 ASN 36 1.770 9.671 -23.935 234 HD22 ASN 36 2HD2 ASN 36 0.895 11.091 -24.383 235 H ILE 37 H ILE 37 -0.485 8.720 -19.614 236 HA ILE 37 HA ILE 37 0.177 6.095 -18.452 237 HB ILE 37 HB ILE 37 -0.607 8.562 -16.897 238 HG12 ILE 37 1HG1 ILE 37 1.731 8.523 -17.914 239 HG13 ILE 37 2HG1 ILE 37 1.643 8.732 -16.168 240 HG21 ILE 37 1HG2 ILE 37 -1.193 7.116 -15.314 241 HG22 ILE 37 2HG2 ILE 37 -0.595 5.753 -16.258 242 HG23 ILE 37 3HG2 ILE 37 0.502 6.645 -15.205 243 HD11 ILE 37 1HD1 ILE 37 3.044 7.039 -15.955 244 HD12 ILE 37 2HD1 ILE 37 1.803 5.972 -16.614 245 HD13 ILE 37 3HD1 ILE 37 2.984 6.720 -17.688 246 H LEU 38 H LEU 38 -1.487 4.768 -18.690 247 HA LEU 38 HA LEU 38 -4.103 5.595 -19.344 248 HB2 LEU 38 1HB LEU 38 -2.973 2.976 -18.395 249 HB3 LEU 38 2HB LEU 38 -4.678 3.184 -18.790 250 HG LEU 38 HG LEU 38 -2.355 3.497 -20.690 251 HD11 LEU 38 1HD1 LEU 38 -2.710 1.393 -21.385 252 HD12 LEU 38 2HD1 LEU 38 -4.458 1.514 -21.193 253 HD13 LEU 38 3HD1 LEU 38 -3.439 1.179 -19.794 254 HD21 LEU 38 1HD2 LEU 38 -4.520 3.405 -22.264 255 HD22 LEU 38 2HD2 LEU 38 -3.813 4.913 -21.683 256 HD23 LEU 38 3HD2 LEU 38 -5.214 4.223 -20.864 257 H GLU 39 H GLU 39 -3.055 3.856 -16.407 258 HA GLU 39 HA GLU 39 -4.689 5.607 -14.764 259 HB2 GLU 39 1HB GLU 39 -5.273 2.684 -15.164 260 HB3 GLU 39 2HB GLU 39 -5.724 3.507 -13.678 261 HG2 GLU 39 1HG GLU 39 -7.060 5.099 -14.979 262 HG3 GLU 39 2HG GLU 39 -6.632 4.234 -16.454 263 H TYR 40 H TYR 40 -4.562 4.752 -12.381 264 HA TYR 40 HA TYR 40 -1.821 3.788 -11.893 265 HB2 TYR 40 1HB TYR 40 -3.280 6.124 -10.717 266 HB3 TYR 40 2HB TYR 40 -2.080 5.279 -9.746 267 HD1 TYR 40 2HD TYR 40 -2.622 7.415 -12.669 268 HD2 TYR 40 1HD TYR 40 0.279 5.377 -10.317 269 HE1 TYR 40 2HE TYR 40 -0.839 8.716 -13.753 270 HE2 TYR 40 1HE TYR 40 2.071 6.673 -11.394 271 HH TYR 40 HH TYR 40 1.363 8.977 -13.994 272 H SER 41 H SER 41 -1.531 2.940 -9.638 273 HA SER 41 HA SER 41 -3.833 2.047 -8.194 274 HB2 SER 41 1HB SER 41 -2.234 -0.023 -9.718 275 HB3 SER 41 2HB SER 41 -3.499 -0.368 -8.539 276 HG SER 41 HG SER 41 -4.869 0.965 -9.992 277 H ALA 42 H ALA 42 -3.267 0.838 -6.267 278 HA ALA 42 HA ALA 42 -0.414 0.958 -5.565 279 HB1 ALA 42 1HB ALA 42 -2.628 2.429 -4.342 280 HB2 ALA 42 2HB ALA 42 -1.611 1.560 -3.191 281 HB3 ALA 42 3HB ALA 42 -0.892 2.737 -4.291 282 H TYR 43 H TYR 43 0.321 -0.640 -4.203 283 HA TYR 43 HA TYR 43 -1.638 -2.722 -3.483 284 HB2 TYR 43 1HB TYR 43 1.241 -3.083 -4.338 285 HB3 TYR 43 2HB TYR 43 0.171 -4.376 -3.808 286 HD1 TYR 43 2HD TYR 43 0.657 -1.812 -6.444 287 HD2 TYR 43 1HD TYR 43 -1.307 -5.415 -5.320 288 HE1 TYR 43 2HE TYR 43 -0.131 -2.097 -8.756 289 HE2 TYR 43 1HE TYR 43 -2.099 -5.711 -7.630 290 HH TYR 43 HH TYR 43 -1.303 -4.932 -9.962 291 H LEU 44 H LEU 44 -1.591 -3.526 -1.448 292 HA LEU 44 HA LEU 44 0.267 -2.243 0.425 293 HB2 LEU 44 1HB LEU 44 -2.117 -1.943 0.865 294 HB3 LEU 44 2HB LEU 44 -2.330 -3.691 0.927 295 HG LEU 44 HG LEU 44 -0.820 -3.725 2.920 296 HD11 LEU 44 1HD1 LEU 44 0.420 -1.724 2.671 297 HD12 LEU 44 2HD1 LEU 44 -0.585 -1.518 4.104 298 HD13 LEU 44 3HD1 LEU 44 -1.044 -0.744 2.588 299 HD21 LEU 44 1HD2 LEU 44 -3.303 -2.028 3.152 300 HD22 LEU 44 2HD2 LEU 44 -2.511 -2.893 4.469 301 HD23 LEU 44 3HD2 LEU 44 -3.252 -3.791 3.143 302 H ALA 45 H ALA 45 1.771 -3.373 1.487 303 HA ALA 45 HA ALA 45 2.337 -6.056 0.777 304 HB1 ALA 45 1HB ALA 45 3.527 -4.890 3.236 305 HB2 ALA 45 2HB ALA 45 4.288 -5.799 1.930 306 HB3 ALA 45 3HB ALA 45 3.867 -4.103 1.695 307 H ILE 46 H ILE 46 0.805 -7.530 1.325 308 HA ILE 46 HA ILE 46 -0.022 -7.663 4.146 309 HB ILE 46 HB ILE 46 -1.935 -8.943 3.450 310 HG12 ILE 46 1HG1 ILE 46 -1.154 -8.649 0.565 311 HG13 ILE 46 2HG1 ILE 46 -0.573 -10.016 1.510 312 HG21 ILE 46 1HG2 ILE 46 -2.868 -7.248 1.673 313 HG22 ILE 46 2HG2 ILE 46 -2.541 -6.738 3.328 314 HG23 ILE 46 3HG2 ILE 46 -1.382 -6.376 2.049 315 HD11 ILE 46 1HD1 ILE 46 -2.444 -11.048 0.930 316 HD12 ILE 46 2HD1 ILE 46 -3.288 -9.950 2.023 317 HD13 ILE 46 3HD1 ILE 46 -3.157 -9.560 0.308 318 H ARG 47 H ARG 47 -0.594 -10.035 4.781 319 HA ARG 47 HA ARG 47 0.844 -12.175 3.645 320 HB2 ARG 47 1HB ARG 47 2.747 -12.380 4.954 321 HB3 ARG 47 2HB ARG 47 2.670 -10.643 4.690 322 HG2 ARG 47 1HG ARG 47 3.057 -10.658 6.924 323 HG3 ARG 47 2HG ARG 47 1.294 -10.729 6.947 324 HD2 ARG 47 1HD ARG 47 1.290 -13.043 7.384 325 HD3 ARG 47 2HD ARG 47 2.993 -13.205 6.959 326 HE ARG 47 HE ARG 47 3.548 -12.578 9.088 327 HH11 ARG 47 2HH1 ARG 47 0.218 -11.759 8.489 328 HH12 ARG 47 1HH1 ARG 47 -0.104 -11.313 10.132 329 HH21 ARG 47 2HH2 ARG 47 3.137 -11.994 11.254 330 HH22 ARG 47 1HH2 ARG 47 1.558 -11.446 11.704 331 H THR 48 H THR 48 0.351 -14.128 4.616 332 HA THR 48 HA THR 48 -1.483 -13.968 6.919 333 HB THR 48 HB THR 48 -2.795 -14.650 5.067 334 HG1 THR 48 1HG THR 48 -3.177 -15.955 6.873 335 HG21 THR 48 1HG2 THR 48 -0.356 -16.120 4.303 336 HG22 THR 48 2HG2 THR 48 -1.573 -15.339 3.294 337 HG23 THR 48 3HG2 THR 48 -1.877 -16.943 3.962 338 H ALA 49 H ALA 49 -0.914 -15.050 8.690 339 HA ALA 49 HA ALA 49 1.476 -16.694 8.641 340 HB1 ALA 49 1HB ALA 49 1.737 -16.077 10.768 341 HB2 ALA 49 2HB ALA 49 0.409 -14.950 10.486 342 HB3 ALA 49 3HB ALA 49 0.087 -16.534 11.191 343 H GLN 50 H GLN 50 1.372 -18.801 8.265 344 HA GLN 50 HA GLN 50 -0.883 -20.326 9.368 345 HB2 GLN 50 1HB GLN 50 -0.904 -21.717 7.312 346 HB3 GLN 50 2HB GLN 50 -1.382 -20.050 7.024 347 HG2 GLN 50 1HG GLN 50 1.104 -19.704 6.397 348 HG3 GLN 50 2HG GLN 50 1.127 -21.459 6.231 349 HE21 GLN 50 1HE2 GLN 50 1.700 -20.076 4.048 350 HE22 GLN 50 2HE2 GLN 50 0.392 -20.095 2.921 351 H MET 51 H MET 51 1.393 -20.192 10.755 352 HA MET 51 HA MET 51 2.862 -21.557 11.841 353 HB2 MET 51 1HB MET 51 1.093 -23.325 11.177 354 HB3 MET 51 2HB MET 51 2.234 -23.782 9.920 355 HG2 MET 51 1HG MET 51 2.486 -25.208 11.851 356 HG3 MET 51 2HG MET 51 3.930 -24.225 11.619 357 HE1 MET 51 1HE MET 51 2.213 -25.917 13.738 358 HE2 MET 51 2HE MET 51 3.086 -25.352 15.163 359 HE3 MET 51 3HE MET 51 1.374 -24.972 14.969 360 H GLN 52 H GLN 52 3.479 -19.980 9.404 361 HA GLN 52 HA GLN 52 5.418 -21.380 7.873 362 HB2 GLN 52 1HB GLN 52 6.154 -18.908 7.376 363 HB3 GLN 52 2HB GLN 52 4.637 -19.533 6.742 364 HG2 GLN 52 1HG GLN 52 3.359 -18.316 8.229 365 HG3 GLN 52 2HG GLN 52 4.686 -18.126 9.373 366 HE21 GLN 52 1HE2 GLN 52 2.916 -16.675 6.937 367 HE22 GLN 52 2HE2 GLN 52 3.948 -15.323 6.632 368 H ASP 53 H ASP 53 7.134 -22.251 8.860 369 HA ASP 53 HA ASP 53 8.379 -21.098 11.156 370 HB2 ASP 53 1HB ASP 53 9.669 -23.175 9.406 371 HB3 ASP 53 2HB ASP 53 9.800 -22.966 11.150 372 H ASN 54 H ASN 54 8.722 -20.670 7.774 373 HA ASN 54 HA ASN 54 11.058 -18.953 8.243 374 HB2 ASN 54 1HB ASN 54 10.809 -20.617 5.744 375 HB3 ASN 54 2HB ASN 54 12.224 -19.766 6.356 376 HD21 ASN 54 1HD2 ASN 54 12.633 -20.525 8.791 377 HD22 ASN 54 2HD2 ASN 54 12.781 -22.239 8.948 378 HA PRO 55 HA PRO 55 8.685 -15.950 6.068 379 HB2 PRO 55 1HB PRO 55 10.692 -14.283 5.318 380 HB3 PRO 55 2HB PRO 55 10.103 -14.390 6.981 381 HG2 PRO 55 1HG PRO 55 12.512 -15.661 5.738 382 HG3 PRO 55 2HG PRO 55 12.355 -14.867 7.316 383 HD2 PRO 55 1HD PRO 55 12.329 -17.559 7.031 384 HD3 PRO 55 2HD PRO 55 11.406 -16.724 8.297 385 H SER 56 H SER 56 8.647 -14.794 3.925 386 HA SER 56 HA SER 56 10.111 -16.017 1.756 387 HB2 SER 56 1HB SER 56 8.317 -17.046 0.632 388 HB3 SER 56 2HB SER 56 8.095 -17.530 2.313 389 HG SER 56 HG SER 56 6.735 -15.439 2.288 390 H GLN 57 H GLN 57 9.829 -14.917 -0.255 391 HA GLN 57 HA GLN 57 9.916 -12.253 -0.300 392 HB2 GLN 57 1HB GLN 57 8.491 -13.921 -2.380 393 HB3 GLN 57 2HB GLN 57 9.090 -12.286 -2.626 394 HG2 GLN 57 1HG GLN 57 11.359 -13.015 -2.344 395 HG3 GLN 57 2HG GLN 57 10.824 -14.638 -1.910 396 HE21 GLN 57 1HE2 GLN 57 10.334 -12.285 -4.526 397 HE22 GLN 57 2HE2 GLN 57 10.492 -13.428 -5.812 398 H LEU 58 H LEU 58 8.643 -11.000 0.954 399 HA LEU 58 HA LEU 58 6.076 -11.217 1.721 400 HB2 LEU 58 1HB LEU 58 7.786 -8.888 1.074 401 HB3 LEU 58 2HB LEU 58 6.064 -8.580 1.287 402 HG LEU 58 HG LEU 58 7.584 -10.078 3.384 403 HD11 LEU 58 1HD1 LEU 58 7.328 -7.168 3.740 404 HD12 LEU 58 2HD1 LEU 58 8.543 -7.694 2.576 405 HD13 LEU 58 3HD1 LEU 58 8.611 -8.269 4.241 406 HD21 LEU 58 1HD2 LEU 58 5.148 -9.971 3.517 407 HD22 LEU 58 2HD2 LEU 58 5.216 -8.209 3.458 408 HD23 LEU 58 3HD2 LEU 58 5.899 -9.073 4.836 409 H VAL 59 H VAL 59 4.068 -11.061 0.890 410 HA VAL 59 HA VAL 59 3.849 -10.728 -2.010 411 HB VAL 59 HB VAL 59 2.885 -12.765 -0.961 412 HG11 VAL 59 1HG1 VAL 59 1.697 -10.802 0.775 413 HG12 VAL 59 2HG1 VAL 59 0.454 -11.815 0.039 414 HG13 VAL 59 3HG1 VAL 59 1.770 -12.555 0.950 415 HG21 VAL 59 1HG2 VAL 59 1.331 -12.860 -2.574 416 HG22 VAL 59 2HG2 VAL 59 0.466 -11.452 -1.957 417 HG23 VAL 59 3HG2 VAL 59 1.881 -11.236 -2.987 418 H PHE 60 H PHE 60 2.367 -9.320 -2.964 419 HA PHE 60 HA PHE 60 1.265 -7.252 -1.177 420 HB2 PHE 60 1HB PHE 60 2.558 -6.917 -3.887 421 HB3 PHE 60 2HB PHE 60 1.643 -5.648 -3.081 422 HD1 PHE 60 1HD PHE 60 4.453 -7.998 -2.379 423 HD2 PHE 60 2HD PHE 60 2.806 -4.110 -1.840 424 HE1 PHE 60 1HE PHE 60 6.483 -7.310 -1.170 425 HE2 PHE 60 2HE PHE 60 4.834 -3.415 -0.632 426 HZ PHE 60 HZ PHE 60 6.676 -5.015 -0.296 427 H MET 61 H MET 61 -0.614 -6.103 -2.031 428 HA MET 61 HA MET 61 -2.068 -7.384 -4.193 429 HB2 MET 61 1HB MET 61 -4.034 -7.881 -2.872 430 HB3 MET 61 2HB MET 61 -2.647 -8.716 -2.187 431 HG2 MET 61 1HG MET 61 -2.598 -7.393 -0.314 432 HG3 MET 61 2HG MET 61 -3.409 -6.048 -1.112 433 HE1 MET 61 1HE MET 61 -6.139 -6.171 1.128 434 HE2 MET 61 2HE MET 61 -4.888 -7.062 1.996 435 HE3 MET 61 3HE MET 61 -4.446 -5.710 0.953 436 H ARG 62 H ARG 62 -3.604 -6.069 -5.132 437 HA ARG 62 HA ARG 62 -3.286 -3.304 -4.895 438 HB2 ARG 62 1HB ARG 62 -4.289 -4.719 -6.823 439 HB3 ARG 62 2HB ARG 62 -5.809 -4.541 -5.956 440 HG2 ARG 62 1HG ARG 62 -5.720 -2.156 -6.167 441 HG3 ARG 62 2HG ARG 62 -4.098 -2.236 -6.859 442 HD2 ARG 62 1HD ARG 62 -6.632 -3.320 -8.085 443 HD3 ARG 62 2HD ARG 62 -5.745 -1.888 -8.607 444 HE ARG 62 HE ARG 62 -3.950 -3.978 -8.717 445 HH11 ARG 62 2HH1 ARG 62 -7.006 -3.174 -10.178 446 HH12 ARG 62 1HH1 ARG 62 -6.683 -4.042 -11.642 447 HH21 ARG 62 2HH2 ARG 62 -3.513 -5.125 -10.640 448 HH22 ARG 62 1HH2 ARG 62 -4.695 -5.153 -11.903 449 H ILE 63 H ILE 63 -4.182 -1.789 -3.636 450 HA ILE 63 HA ILE 63 -6.451 -2.576 -1.927 451 HB ILE 63 HB ILE 63 -5.554 -1.148 -0.149 452 HG12 ILE 63 1HG1 ILE 63 -2.940 -0.972 -1.603 453 HG13 ILE 63 2HG1 ILE 63 -4.196 0.216 -1.934 454 HG21 ILE 63 1HG2 ILE 63 -3.219 -2.855 -0.685 455 HG22 ILE 63 2HG2 ILE 63 -4.301 -2.812 0.706 456 HG23 ILE 63 3HG2 ILE 63 -4.785 -3.663 -0.761 457 HD11 ILE 63 1HD1 ILE 63 -3.360 -0.344 0.876 458 HD12 ILE 63 2HD1 ILE 63 -2.403 0.724 -0.152 459 HD13 ILE 63 3HD1 ILE 63 -4.090 1.108 0.191 460 H TYR 64 H TYR 64 -5.502 -0.623 -4.388 461 HA TYR 64 HA TYR 64 -7.772 1.123 -4.037 462 HB2 TYR 64 1HB TYR 64 -6.257 2.487 -2.837 463 HB3 TYR 64 2HB TYR 64 -4.947 2.169 -3.969 464 HD1 TYR 64 2HD TYR 64 -4.839 3.334 -6.107 465 HD2 TYR 64 1HD TYR 64 -7.965 4.133 -3.333 466 HE1 TYR 64 2HE TYR 64 -5.402 5.385 -7.342 467 HE2 TYR 64 1HE TYR 64 -8.538 6.186 -4.561 468 HH TYR 64 HH TYR 64 -6.963 7.006 -7.604 469 H CYS 65 H CYS 65 -8.654 1.644 -5.952 470 HA CYS 65 HA CYS 65 -7.029 1.239 -8.374 471 HB2 CYS 65 1HB CYS 65 -9.975 0.620 -8.225 472 HB3 CYS 65 2HB CYS 65 -8.829 0.159 -9.478 473 HG CYS 65 HG CYS 65 -8.239 -2.132 -8.493 474 H GLY 66 H GLY 66 -6.688 3.237 -9.133 475 HA2 GLY 66 1HA GLY 66 -8.892 4.778 -10.103 476 HA3 GLY 66 2HA GLY 66 -8.157 5.521 -8.691 477 H LEU 67 H LEU 67 -7.776 7.272 -10.287 478 HA LEU 67 HA LEU 67 -5.216 6.819 -11.664 479 HB2 LEU 67 1HB LEU 67 -6.043 8.567 -13.326 480 HB3 LEU 67 2HB LEU 67 -6.702 6.937 -13.451 481 HG LEU 67 HG LEU 67 -8.224 8.964 -11.887 482 HD11 LEU 67 1HD1 LEU 67 -7.837 10.300 -13.765 483 HD12 LEU 67 2HD1 LEU 67 -9.386 9.524 -14.094 484 HD13 LEU 67 3HD1 LEU 67 -7.919 8.929 -14.871 485 HD21 LEU 67 1HD2 LEU 67 -8.966 6.664 -13.692 486 HD22 LEU 67 2HD2 LEU 67 -10.118 7.706 -12.857 487 HD23 LEU 67 3HD2 LEU 67 -9.018 6.686 -11.929 488 H LYS 68 H LYS 68 -6.440 8.191 -9.102 489 HA LYS 68 HA LYS 68 -5.572 10.918 -9.384 490 HB2 LYS 68 1HB LYS 68 -6.770 9.251 -7.242 491 HB3 LYS 68 2HB LYS 68 -5.808 10.628 -6.720 492 HG2 LYS 68 1HG LYS 68 -8.043 11.370 -6.836 493 HG3 LYS 68 2HG LYS 68 -7.218 12.052 -8.240 494 HD2 LYS 68 1HD LYS 68 -8.167 10.368 -9.677 495 HD3 LYS 68 2HD LYS 68 -8.873 9.530 -8.293 496 HE2 LYS 68 1HE LYS 68 -10.096 11.751 -7.848 497 HE3 LYS 68 2HE LYS 68 -9.650 12.163 -9.504 498 HZ1 LYS 68 1HZ LYS 68 -11.446 10.029 -8.551 499 HZ2 LYS 68 2HZ LYS 68 -10.699 9.901 -10.063 500 HZ3 LYS 68 3HZ LYS 68 -11.724 11.206 -9.735 501 H THR 69 H THR 69 -4.034 11.792 -7.627 502 HA THR 69 HA THR 69 -1.601 10.151 -7.721 503 HB THR 69 HB THR 69 -0.481 12.363 -7.065 504 HG1 THR 69 1HG THR 69 -2.802 13.216 -6.656 505 HG21 THR 69 1HG2 THR 69 -1.097 11.252 -9.509 506 HG22 THR 69 2HG2 THR 69 0.022 12.588 -9.239 507 HG23 THR 69 3HG2 THR 69 -1.654 12.916 -9.679 508 H SER 70 H SER 70 -4.045 10.716 -5.644 509 HA SER 70 HA SER 70 -2.441 9.965 -3.354 510 HB2 SER 70 1HB SER 70 -4.141 12.468 -3.255 511 HB3 SER 70 2HB SER 70 -3.233 11.769 -1.914 512 HG SER 70 HG SER 70 -1.835 13.213 -2.657 513 H CYS 71 H CYS 71 -3.500 8.497 -2.191 514 HA CYS 71 HA CYS 71 -6.441 8.454 -2.323 515 HB2 CYS 71 1HB CYS 71 -6.465 6.084 -2.543 516 HB3 CYS 71 2HB CYS 71 -5.327 6.680 -3.744 517 HG CYS 71 HG CYS 71 -3.759 6.000 -0.918 518 H THR 72 H THR 72 -7.405 7.110 -0.536 519 HA THR 72 HA THR 72 -5.871 7.536 1.945 520 HB THR 72 HB THR 72 -8.866 7.592 1.532 521 HG1 THR 72 1HG THR 72 -8.127 9.558 0.955 522 HG21 THR 72 1HG2 THR 72 -7.179 7.437 3.972 523 HG22 THR 72 2HG2 THR 72 -8.799 6.805 3.673 524 HG23 THR 72 3HG2 THR 72 -8.570 8.520 4.011 525 H VAL 73 H VAL 73 -5.575 5.868 3.312 526 HA VAL 73 HA VAL 73 -6.711 3.273 2.526 527 HB VAL 73 HB VAL 73 -4.284 3.881 4.220 528 HG11 VAL 73 1HG1 VAL 73 -3.868 1.487 4.199 529 HG12 VAL 73 2HG1 VAL 73 -5.438 1.831 4.929 530 HG13 VAL 73 3HG1 VAL 73 -5.347 1.220 3.276 531 HG21 VAL 73 1HG2 VAL 73 -3.876 2.336 1.802 532 HG22 VAL 73 2HG2 VAL 73 -4.561 3.925 1.462 533 HG23 VAL 73 3HG2 VAL 73 -3.052 3.791 2.364 534 H THR 74 H THR 74 -7.828 2.016 3.954 535 HA THR 74 HA THR 74 -8.724 3.347 6.399 536 HB THR 74 HB THR 74 -10.503 1.641 6.455 537 HG1 THR 74 1HG THR 74 -9.403 0.755 3.977 538 HG21 THR 74 1HG2 THR 74 -10.193 3.719 4.577 539 HG22 THR 74 2HG2 THR 74 -11.696 3.015 5.172 540 HG23 THR 74 3HG2 THR 74 -10.935 2.371 3.718 541 H ALA 75 H ALA 75 -8.823 2.229 8.410 542 HA ALA 75 HA ALA 75 -6.495 0.867 9.124 543 HB1 ALA 75 1HB ALA 75 -9.072 1.474 10.435 544 HB2 ALA 75 2HB ALA 75 -8.120 0.162 11.133 545 HB3 ALA 75 3HB ALA 75 -7.421 1.774 10.978 546 H GLY 76 H GLY 76 -9.762 -0.395 8.496 547 HA2 GLY 76 1HA GLY 76 -9.543 -3.016 9.141 548 HA3 GLY 76 2HA GLY 76 -10.390 -2.472 7.700 549 H GLN 77 H GLN 77 -8.223 -1.531 6.206 550 HA GLN 77 HA GLN 77 -7.195 -4.025 5.218 551 HB2 GLN 77 1HB GLN 77 -6.677 -1.176 4.352 552 HB3 GLN 77 2HB GLN 77 -6.098 -2.600 3.499 553 HG2 GLN 77 1HG GLN 77 -9.014 -2.226 4.043 554 HG3 GLN 77 2HG GLN 77 -8.236 -1.428 2.678 555 HE21 GLN 77 1HE2 GLN 77 -8.440 -2.486 0.853 556 HE22 GLN 77 2HE2 GLN 77 -8.528 -4.201 0.666 557 H LEU 78 H LEU 78 -5.850 -1.174 6.822 558 HA LEU 78 HA LEU 78 -3.156 -1.692 6.656 559 HB2 LEU 78 1HB LEU 78 -4.840 -0.449 8.794 560 HB3 LEU 78 2HB LEU 78 -3.105 -0.645 9.027 561 HG LEU 78 HG LEU 78 -4.212 0.804 6.641 562 HD11 LEU 78 1HD1 LEU 78 -4.353 1.626 9.399 563 HD12 LEU 78 2HD1 LEU 78 -4.976 2.421 7.954 564 HD13 LEU 78 3HD1 LEU 78 -3.313 2.706 8.469 565 HD21 LEU 78 1HD2 LEU 78 -1.720 -0.037 7.127 566 HD22 LEU 78 2HD2 LEU 78 -1.667 1.510 7.973 567 HD23 LEU 78 3HD2 LEU 78 -2.077 1.456 6.258 568 H ALA 79 H ALA 79 -5.509 -3.082 8.894 569 HA ALA 79 HA ALA 79 -3.925 -4.390 10.690 570 HB1 ALA 79 1HB ALA 79 -6.269 -5.798 9.464 571 HB2 ALA 79 2HB ALA 79 -5.721 -5.803 11.141 572 HB3 ALA 79 3HB ALA 79 -6.485 -4.364 10.467 573 H ASN 80 H ASN 80 -4.586 -5.315 7.357 574 HA ASN 80 HA ASN 80 -3.222 -7.836 7.566 575 HB2 ASN 80 1HB ASN 80 -4.128 -6.283 5.131 576 HB3 ASN 80 2HB ASN 80 -3.534 -7.941 5.115 577 HD21 ASN 80 1HD2 ASN 80 -6.221 -6.310 4.780 578 HD22 ASN 80 2HD2 ASN 80 -7.365 -7.365 5.529 579 H ALA 81 H ALA 81 -2.355 -4.570 6.836 580 HA ALA 81 HA ALA 81 -0.045 -4.942 5.314 581 HB1 ALA 81 1HB ALA 81 0.377 -2.723 5.653 582 HB2 ALA 81 2HB ALA 81 -1.331 -2.775 6.091 583 HB3 ALA 81 3HB ALA 81 -0.096 -2.776 7.351 584 H HIS 82 H HIS 82 1.549 -6.297 5.839 585 HA HIS 82 HA HIS 82 2.249 -6.899 8.549 586 HB2 HIS 82 1HB HIS 82 2.612 -8.713 7.150 587 HB3 HIS 82 2HB HIS 82 3.266 -7.715 5.855 588 HD1 HIS 82 1HD HIS 82 4.253 -9.785 8.711 589 HD2 HIS 82 2HD HIS 82 5.995 -6.865 6.323 590 HE1 HIS 82 1HE HIS 82 6.727 -9.966 9.124 591 HE2 HIS 82 2HE HIS 82 7.753 -8.133 7.733 592 H ILE 83 H ILE 83 3.637 -5.867 9.820 593 HA ILE 83 HA ILE 83 5.239 -3.704 8.695 594 HB ILE 83 HB ILE 83 4.669 -4.460 11.562 595 HG12 ILE 83 1HG1 ILE 83 3.736 -2.112 9.896 596 HG13 ILE 83 2HG1 ILE 83 2.757 -3.516 10.307 597 HG21 ILE 83 1HG2 ILE 83 6.694 -2.736 10.409 598 HG22 ILE 83 2HG2 ILE 83 5.634 -1.868 11.517 599 HG23 ILE 83 3HG2 ILE 83 6.502 -3.300 12.069 600 HD11 ILE 83 1HD1 ILE 83 2.276 -2.719 12.329 601 HD12 ILE 83 2HD1 ILE 83 3.936 -2.201 12.624 602 HD13 ILE 83 3HD1 ILE 83 2.843 -1.173 11.698 603 H ASP 84 H ASP 84 7.348 -3.871 8.333 604 HA ASP 84 HA ASP 84 8.748 -6.299 8.929 605 HB2 ASP 84 1HB ASP 84 9.266 -5.213 6.860 606 HB3 ASP 84 2HB ASP 84 9.615 -3.691 7.677 607 H TYR 85 H TYR 85 8.984 -6.547 11.118 608 HA TYR 85 HA TYR 85 10.170 -4.391 12.680 609 HB2 TYR 85 1HB TYR 85 8.934 -7.043 13.373 610 HB3 TYR 85 2HB TYR 85 9.886 -6.153 14.555 611 HD1 TYR 85 1HD TYR 85 9.183 -3.565 14.729 612 HD2 TYR 85 2HD TYR 85 6.654 -6.722 13.408 613 HE1 TYR 85 1HE TYR 85 7.208 -2.219 15.312 614 HE2 TYR 85 2HE TYR 85 4.673 -5.384 13.986 615 HH TYR 85 HH TYR 85 4.744 -2.746 15.942 616 H THR 86 H THR 86 11.728 -5.734 10.613 617 HA THR 86 HA THR 86 13.634 -7.391 12.042 618 HB THR 86 HB THR 86 13.643 -6.411 9.181 619 HG1 THR 86 1HG THR 86 12.986 -8.935 10.338 620 HG21 THR 86 1HG2 THR 86 15.513 -7.741 8.765 621 HG22 THR 86 2HG2 THR 86 15.309 -8.663 10.254 622 HG23 THR 86 3HG2 THR 86 15.889 -6.999 10.320 623 H SER 87 H SER 87 13.999 -4.497 9.984 624 HA SER 87 HA SER 87 16.337 -3.741 11.584 625 HB2 SER 87 1HB SER 87 15.447 -3.151 8.787 626 HB3 SER 87 2HB SER 87 16.525 -2.016 9.599 627 HG SER 87 HG SER 87 17.155 -4.739 9.676 628 H ARG 88 H ARG 88 13.328 -2.399 10.271 629 HA ARG 88 HA ARG 88 13.137 -0.610 12.546 630 HB2 ARG 88 1HB ARG 88 14.446 0.489 10.558 631 HB3 ARG 88 2HB ARG 88 12.846 0.656 9.848 632 HG2 ARG 88 1HG ARG 88 12.104 2.038 11.622 633 HG3 ARG 88 2HG ARG 88 13.534 1.674 12.590 634 HD2 ARG 88 1HD ARG 88 13.883 2.909 9.900 635 HD3 ARG 88 2HD ARG 88 13.344 3.922 11.239 636 HE ARG 88 HE ARG 88 15.574 2.465 12.084 637 HH11 ARG 88 2HH1 ARG 88 14.759 4.984 9.824 638 HH12 ARG 88 1HH1 ARG 88 16.324 5.725 9.886 639 HH21 ARG 88 2HH2 ARG 88 17.638 3.431 12.174 640 HH22 ARG 88 1HH2 ARG 88 17.961 4.841 11.222 641 HA PRO 89 HA PRO 89 8.902 -1.734 11.994 642 HB2 PRO 89 1HB PRO 89 7.817 0.057 13.722 643 HB3 PRO 89 2HB PRO 89 8.684 -1.388 14.255 644 HG2 PRO 89 1HG PRO 89 9.655 1.436 14.049 645 HG3 PRO 89 2HG PRO 89 9.923 0.252 15.342 646 HD2 PRO 89 1HD PRO 89 11.784 0.789 13.451 647 HD3 PRO 89 2HD PRO 89 11.607 -0.817 14.188 648 H ALA 90 H ALA 90 8.638 -1.047 9.822 649 HA ALA 90 HA ALA 90 7.152 1.462 9.586 650 HB1 ALA 90 1HB ALA 90 9.277 2.189 8.874 651 HB2 ALA 90 2HB ALA 90 9.553 0.720 7.938 652 HB3 ALA 90 3HB ALA 90 8.356 1.897 7.398 653 H ILE 91 H ILE 91 5.988 1.598 7.467 654 HA ILE 91 HA ILE 91 4.959 -1.059 6.775 655 HB ILE 91 HB ILE 91 3.778 1.685 6.340 656 HG12 ILE 91 1HG1 ILE 91 2.942 -0.618 8.117 657 HG13 ILE 91 2HG1 ILE 91 3.683 0.884 8.658 658 HG21 ILE 91 1HG2 ILE 91 2.488 -0.963 5.720 659 HG22 ILE 91 2HG2 ILE 91 1.873 0.650 5.363 660 HG23 ILE 91 3HG2 ILE 91 3.290 0.038 4.510 661 HD11 ILE 91 1HD1 ILE 91 0.911 0.304 7.918 662 HD12 ILE 91 2HD1 ILE 91 1.568 1.504 9.031 663 HD13 ILE 91 3HD1 ILE 91 1.545 1.828 7.297 664 H VAL 92 H VAL 92 5.287 -1.936 4.834 665 HA VAL 92 HA VAL 92 6.780 -0.407 2.850 666 HB VAL 92 HB VAL 92 6.083 -3.346 2.937 667 HG11 VAL 92 1HG1 VAL 92 6.456 -3.169 0.719 668 HG12 VAL 92 2HG1 VAL 92 7.331 -1.645 0.878 669 HG13 VAL 92 3HG1 VAL 92 8.148 -3.171 1.218 670 HG21 VAL 92 1HG2 VAL 92 8.781 -3.189 3.132 671 HG22 VAL 92 2HG2 VAL 92 8.297 -1.741 4.015 672 HG23 VAL 92 3HG2 VAL 92 7.691 -3.320 4.513 673 H PHE 93 H PHE 93 5.750 0.610 1.274 674 HA PHE 93 HA PHE 93 3.099 -0.357 0.452 675 HB2 PHE 93 1HB PHE 93 4.370 2.341 0.546 676 HB3 PHE 93 2HB PHE 93 3.153 2.037 -0.689 677 HD1 PHE 93 2HD PHE 93 0.912 1.021 0.153 678 HD2 PHE 93 1HD PHE 93 3.716 3.036 2.642 679 HE1 PHE 93 2HE PHE 93 -0.865 1.453 1.799 680 HE2 PHE 93 1HE PHE 93 1.943 3.471 4.292 681 HZ PHE 93 HZ PHE 93 -0.351 2.681 3.871 682 H ARG 94 H ARG 94 2.615 0.281 -1.936 683 HA ARG 94 HA ARG 94 4.917 -0.073 -3.684 684 HB2 ARG 94 1HB ARG 94 2.790 -2.109 -3.242 685 HB3 ARG 94 2HB ARG 94 3.363 -1.871 -4.887 686 HG2 ARG 94 1HG ARG 94 5.182 -2.443 -2.562 687 HG3 ARG 94 2HG ARG 94 4.507 -3.690 -3.613 688 HD2 ARG 94 1HD ARG 94 5.911 -1.389 -4.869 689 HD3 ARG 94 2HD ARG 94 6.882 -2.623 -4.068 690 HE ARG 94 HE ARG 94 5.484 -2.872 -6.555 691 HH11 ARG 94 2HH1 ARG 94 6.688 -4.612 -3.790 692 HH12 ARG 94 1HH1 ARG 94 6.817 -6.121 -4.632 693 HH21 ARG 94 2HH2 ARG 94 5.651 -4.853 -7.675 694 HH22 ARG 94 1HH2 ARG 94 6.228 -6.256 -6.842 695 H ILE 95 H ILE 95 4.725 1.162 -5.437 696 HA ILE 95 HA ILE 95 2.069 1.784 -6.491 697 HB ILE 95 HB ILE 95 4.093 3.959 -5.967 698 HG12 ILE 95 1HG1 ILE 95 1.499 3.621 -4.480 699 HG13 ILE 95 2HG1 ILE 95 2.978 2.855 -3.911 700 HG21 ILE 95 1HG2 ILE 95 2.391 5.474 -6.644 701 HG22 ILE 95 2HG2 ILE 95 2.484 4.216 -7.875 702 HG23 ILE 95 3HG2 ILE 95 1.180 4.193 -6.688 703 HD11 ILE 95 1HD1 ILE 95 3.989 5.216 -4.049 704 HD12 ILE 95 2HD1 ILE 95 2.311 5.759 -4.095 705 HD13 ILE 95 3HD1 ILE 95 2.900 4.830 -2.716 706 H SER 96 H SER 96 2.005 2.067 -8.675 707 HA SER 96 HA SER 96 4.331 2.630 -10.240 708 HB2 SER 96 1HB SER 96 4.747 0.252 -9.726 709 HB3 SER 96 2HB SER 96 3.174 -0.164 -10.405 710 HG SER 96 HG SER 96 3.888 0.357 -12.407 711 H ALA 97 H ALA 97 3.837 2.549 -12.601 712 HA ALA 97 HA ALA 97 1.033 3.308 -13.026 713 HB1 ALA 97 1HB ALA 97 1.830 5.010 -14.203 714 HB2 ALA 97 2HB ALA 97 3.468 4.489 -13.808 715 HB3 ALA 97 3HB ALA 97 2.688 3.905 -15.278 716 H LYS 98 H LYS 98 -0.210 2.403 -14.629 717 HA LYS 98 HA LYS 98 0.803 -0.119 -15.728 718 HB2 LYS 98 1HB LYS 98 -1.282 -0.176 -14.388 719 HB3 LYS 98 2HB LYS 98 -2.041 0.896 -15.557 720 HG2 LYS 98 1HG LYS 98 -1.628 -0.843 -17.301 721 HG3 LYS 98 2HG LYS 98 -1.088 -1.921 -16.011 722 HD2 LYS 98 1HD LYS 98 -3.201 -2.120 -15.112 723 HD3 LYS 98 2HD LYS 98 -3.742 -0.575 -15.773 724 HE2 LYS 98 1HE LYS 98 -3.876 -1.507 -17.984 725 HE3 LYS 98 2HE LYS 98 -3.148 -3.018 -17.438 726 HZ1 LYS 98 1HZ LYS 98 -5.813 -2.497 -17.595 727 HZ2 LYS 98 2HZ LYS 98 -5.489 -2.315 -15.945 728 HZ3 LYS 98 3HZ LYS 98 -5.104 -3.765 -16.728 729 H ASN 99 H ASN 99 1.262 -0.315 -17.820 730 HA ASN 99 HA ASN 99 0.456 1.853 -19.628 731 HB2 ASN 99 1HB ASN 99 2.932 1.005 -19.225 732 HB3 ASN 99 2HB ASN 99 2.469 -0.211 -20.412 733 HD21 ASN 99 1HD2 ASN 99 4.438 1.236 -21.222 734 HD22 ASN 99 2HD2 ASN 99 3.965 2.463 -22.342 735 H GLU 100 H GLU 100 0.332 0.997 -22.019 736 HA GLU 100 HA GLU 100 -2.000 -0.300 -22.436 737 HB2 GLU 100 1HB GLU 100 0.473 -0.508 -24.161 738 HB3 GLU 100 2HB GLU 100 -1.151 -0.934 -24.682 739 HG2 GLU 100 1HG GLU 100 -0.515 1.804 -23.651 740 HG3 GLU 100 2HG GLU 100 -0.225 1.360 -25.332 741 H LYS 101 H LYS 101 1.093 -1.787 -21.746 742 HA LYS 101 HA LYS 101 0.044 -4.466 -22.168 743 HB2 LYS 101 1HB LYS 101 2.748 -3.382 -21.407 744 HB3 LYS 101 2HB LYS 101 2.387 -5.101 -21.327 745 HG2 LYS 101 1HG LYS 101 2.027 -3.471 -23.826 746 HG3 LYS 101 2HG LYS 101 3.531 -4.303 -23.421 747 HD2 LYS 101 1HD LYS 101 0.987 -5.849 -23.348 748 HD3 LYS 101 2HD LYS 101 1.682 -5.448 -24.920 749 HE2 LYS 101 1HE LYS 101 3.221 -6.785 -22.701 750 HE3 LYS 101 2HE LYS 101 2.377 -7.669 -23.971 751 HZ1 LYS 101 1HZ LYS 101 4.443 -5.621 -24.537 752 HZ2 LYS 101 2HZ LYS 101 3.783 -6.750 -25.609 753 HZ3 LYS 101 3HZ LYS 101 4.803 -7.265 -24.361 754 H GLY 102 H GLY 102 1.435 -2.592 -19.472 755 HA2 GLY 102 1HA GLY 102 -0.384 -3.201 -17.531 756 HA3 GLY 102 2HA GLY 102 0.701 -4.584 -17.532 757 H TYR 103 H TYR 103 1.232 -3.988 -15.346 758 HA TYR 103 HA TYR 103 2.567 -1.489 -14.847 759 HB2 TYR 103 1HB TYR 103 2.293 -3.966 -13.132 760 HB3 TYR 103 2HB TYR 103 2.964 -2.432 -12.588 761 HD1 TYR 103 2HD TYR 103 1.467 -0.406 -12.529 762 HD2 TYR 103 1HD TYR 103 -0.039 -4.335 -13.159 763 HE1 TYR 103 2HE TYR 103 -0.785 0.366 -11.913 764 HE2 TYR 103 1HE TYR 103 -2.296 -3.574 -12.546 765 HH TYR 103 HH TYR 103 -3.442 -0.947 -12.646 766 H GLY 104 H GLY 104 4.746 -1.147 -14.466 767 HA2 GLY 104 1HA GLY 104 6.530 -3.368 -15.255 768 HA3 GLY 104 2HA GLY 104 6.789 -1.713 -15.787 769 HA PRO 105 HA PRO 105 9.515 -1.239 -12.368 770 HB2 PRO 105 1HB PRO 105 9.583 1.473 -12.267 771 HB3 PRO 105 2HB PRO 105 10.406 0.538 -13.521 772 HG2 PRO 105 1HG PRO 105 7.770 1.953 -13.636 773 HG3 PRO 105 2HG PRO 105 9.066 1.901 -14.846 774 HD2 PRO 105 1HD PRO 105 6.841 0.367 -15.026 775 HD3 PRO 105 2HD PRO 105 8.422 -0.169 -15.629 776 H ALA 106 H ALA 106 9.057 -1.514 -10.285 777 HA ALA 106 HA ALA 106 6.771 -0.054 -9.135 778 HB1 ALA 106 1HB ALA 106 6.116 -1.910 -8.071 779 HB2 ALA 106 2HB ALA 106 7.153 -2.757 -9.219 780 HB3 ALA 106 3HB ALA 106 7.763 -2.346 -7.616 781 H THR 107 H THR 107 7.031 1.134 -7.305 782 HA THR 107 HA THR 107 9.788 1.420 -6.317 783 HB THR 107 HB THR 107 7.503 3.391 -6.113 784 HG1 THR 107 1HG THR 107 9.184 4.515 -7.574 785 HG21 THR 107 1HG2 THR 107 9.930 3.189 -4.659 786 HG22 THR 107 2HG2 THR 107 8.739 4.490 -4.623 787 HG23 THR 107 3HG2 THR 107 10.081 4.554 -5.765 788 H GLN 108 H GLN 108 10.256 1.193 -4.185 789 HA GLN 108 HA GLN 108 8.042 0.344 -2.440 790 HB2 GLN 108 1HB GLN 108 10.053 -1.216 -3.057 791 HB3 GLN 108 2HB GLN 108 10.915 -0.268 -1.853 792 HG2 GLN 108 1HG GLN 108 9.474 -0.959 -0.125 793 HG3 GLN 108 2HG GLN 108 8.298 -1.611 -1.265 794 HE21 GLN 108 1HE2 GLN 108 11.044 -2.242 0.622 795 HE22 GLN 108 2HE2 GLN 108 11.326 -3.865 0.102 796 H ILE 109 H ILE 109 7.639 1.426 -0.605 797 HA ILE 109 HA ILE 109 9.628 3.381 0.331 798 HB ILE 109 HB ILE 109 7.943 4.633 -0.886 799 HG12 ILE 109 1HG1 ILE 109 7.329 5.016 2.039 800 HG13 ILE 109 2HG1 ILE 109 8.903 5.423 1.364 801 HG21 ILE 109 1HG2 ILE 109 5.715 4.301 -0.772 802 HG22 ILE 109 2HG2 ILE 109 6.196 2.708 -0.190 803 HG23 ILE 109 3HG2 ILE 109 5.745 3.967 0.959 804 HD11 ILE 109 1HD1 ILE 109 7.931 7.443 1.151 805 HD12 ILE 109 2HD1 ILE 109 7.340 6.740 -0.356 806 HD13 ILE 109 3HD1 ILE 109 6.301 6.774 1.069 807 H ARG 110 H ARG 110 9.482 3.935 2.572 808 HA ARG 110 HA ARG 110 8.031 1.936 4.181 809 HB2 ARG 110 1HB ARG 110 10.815 3.026 4.457 810 HB3 ARG 110 2HB ARG 110 9.959 2.402 5.861 811 HG2 ARG 110 1HG ARG 110 11.242 0.610 5.086 812 HG3 ARG 110 2HG ARG 110 9.608 0.278 4.507 813 HD2 ARG 110 1HD ARG 110 10.176 1.100 2.310 814 HD3 ARG 110 2HD ARG 110 11.773 1.594 2.872 815 HE ARG 110 HE ARG 110 10.944 -1.047 2.116 816 HH11 ARG 110 2HH1 ARG 110 13.179 0.797 4.046 817 HH12 ARG 110 1HH1 ARG 110 14.378 -0.453 4.086 818 HH21 ARG 110 2HH2 ARG 110 12.515 -2.700 2.161 819 HH22 ARG 110 1HH2 ARG 110 14.000 -2.441 3.012 820 H TRP 111 H TRP 111 6.807 2.658 5.832 821 HA TRP 111 HA TRP 111 6.842 5.558 6.356 822 HB2 TRP 111 1HB TRP 111 4.769 4.546 5.274 823 HB3 TRP 111 2HB TRP 111 4.491 3.720 6.804 824 HD1 TRP 111 HD TRP 111 5.484 7.419 6.148 825 HE1 TRP 111 1HE TRP 111 3.771 8.918 7.351 826 HE3 TRP 111 3HE TRP 111 2.367 3.796 7.964 827 HZ2 TRP 111 2HZ TRP 111 1.412 8.606 8.868 828 HZ3 TRP 111 3HZ TRP 111 0.405 4.480 9.282 829 HH2 TRP 111 HH TRP 111 -0.061 6.836 9.724 830 H LEU 112 H LEU 112 7.720 6.041 8.250 831 HA LEU 112 HA LEU 112 7.909 4.081 10.360 832 HB2 LEU 112 1HB LEU 112 8.826 6.937 10.125 833 HB3 LEU 112 2HB LEU 112 9.063 5.962 11.574 834 HG LEU 112 HG LEU 112 10.140 5.141 8.888 835 HD11 LEU 112 1HD1 LEU 112 11.281 7.021 10.916 836 HD12 LEU 112 2HD1 LEU 112 11.232 7.167 9.159 837 HD13 LEU 112 3HD1 LEU 112 12.336 6.020 9.918 838 HD21 LEU 112 1HD2 LEU 112 9.877 3.536 10.875 839 HD22 LEU 112 2HD2 LEU 112 11.195 4.450 11.609 840 HD23 LEU 112 3HD2 LEU 112 11.446 3.616 10.074 841 H GLN 113 H GLN 113 6.055 3.692 11.421 842 HA GLN 113 HA GLN 113 4.044 5.633 11.895 843 HB2 GLN 113 1HB GLN 113 4.557 2.897 13.050 844 HB3 GLN 113 2HB GLN 113 3.178 3.878 13.527 845 HG2 GLN 113 1HG GLN 113 2.703 3.991 10.980 846 HG3 GLN 113 2HG GLN 113 3.757 2.580 10.905 847 HE21 GLN 113 1HE2 GLN 113 0.777 3.094 10.551 848 HE22 GLN 113 2HE2 GLN 113 0.032 1.863 11.506 849 H GLY 114 H GLY 114 3.983 7.194 13.366 850 HA2 GLY 114 1HA GLY 114 4.972 6.800 16.038 851 HA3 GLY 114 2HA GLY 114 5.968 7.901 15.098 852 H ASN 115 H ASN 115 3.935 9.146 13.597 853 HA ASN 115 HA ASN 115 3.277 11.348 14.954 854 HB2 ASN 115 1HB ASN 115 2.697 10.853 12.558 855 HB3 ASN 115 2HB ASN 115 1.280 9.985 13.139 856 HD21 ASN 115 1HD2 ASN 115 2.877 13.126 13.186 857 HD22 ASN 115 2HD2 ASN 115 1.431 14.060 13.326 858 H SER 116 H SER 116 1.500 8.302 15.139 859 HA SER 116 HA SER 116 0.190 9.301 17.573 860 HB2 SER 116 1HB SER 116 -1.887 8.117 16.915 861 HB3 SER 116 2HB SER 116 -1.472 9.410 15.790 862 HG SER 116 HG SER 116 -1.233 6.620 15.450 863 H LYS 117 H LYS 117 -1.093 7.190 18.493 864 HA LYS 117 HA LYS 117 0.473 4.774 18.266 865 HB2 LYS 117 1HB LYS 117 1.807 6.114 19.849 866 HB3 LYS 117 2HB LYS 117 0.396 6.286 20.884 867 HG2 LYS 117 1HG LYS 117 0.390 3.713 20.940 868 HG3 LYS 117 2HG LYS 117 2.044 3.850 20.337 869 HD2 LYS 117 1HD LYS 117 1.053 5.268 22.805 870 HD3 LYS 117 2HD LYS 117 1.815 3.676 22.839 871 HE2 LYS 117 1HE LYS 117 3.163 5.993 21.502 872 HE3 LYS 117 2HE LYS 117 3.266 5.779 23.248 873 HZ1 LYS 117 1HZ LYS 117 4.903 4.352 22.897 874 HZ2 LYS 117 2HZ LYS 117 4.710 4.455 21.220 875 HZ3 LYS 117 3HZ LYS 117 3.826 3.316 22.105 876 H SER 118 H SER 118 -0.850 3.092 18.457 877 HA SER 118 HA SER 118 -3.514 3.082 18.659 878 HB2 SER 118 1HB SER 118 -1.607 1.042 19.814 879 HB3 SER 118 2HB SER 118 -3.345 0.772 19.693 880 HG SER 118 HG SER 118 -2.845 1.475 17.347 881 H GLY 119 H GLY 119 -5.033 3.618 20.086 882 HA2 GLY 119 1HA GLY 119 -4.549 4.866 22.499 883 HA3 GLY 119 2HA GLY 119 -6.075 4.104 22.075 884 HA PRO 120 HA PRO 120 -3.512 1.733 25.403 885 HB2 PRO 120 1HB PRO 120 -4.297 2.977 27.684 886 HB3 PRO 120 2HB PRO 120 -2.847 3.443 26.786 887 HG2 PRO 120 1HG PRO 120 -5.568 4.690 26.769 888 HG3 PRO 120 2HG PRO 120 -3.978 5.474 26.811 889 HD2 PRO 120 1HD PRO 120 -5.431 5.250 24.537 890 HD3 PRO 120 2HD PRO 120 -3.656 5.227 24.542 891 H SER 121 H SER 121 -4.708 -0.078 25.380 892 HA SER 121 HA SER 121 -6.972 -0.325 27.090 893 HB2 SER 121 1HB SER 121 -8.691 -0.789 25.494 894 HB3 SER 121 2HB SER 121 -7.964 0.745 25.017 895 HG SER 121 HG SER 121 -6.901 -0.269 23.373 896 H SER 122 H SER 122 -7.412 -2.445 27.596 897 HA SER 122 HA SER 122 -5.385 -4.342 27.086 898 HB2 SER 122 1HB SER 122 -8.168 -4.797 28.190 899 HB3 SER 122 2HB SER 122 -6.811 -5.916 28.317 900 HG SER 122 HG SER 122 -6.377 -4.873 30.083 901 H GLY 123 H GLY 123 -5.341 -6.173 25.808 902 HA2 GLY 123 1HA GLY 123 -5.681 -7.308 23.833 903 HA3 GLY 123 2HA GLY 123 -7.349 -7.369 24.383 Start of MODEL 6 1 H1 GLY 1 H GLY 1 20.828 -11.721 -26.388 2 HA2 GLY 1 1HA GLY 1 22.554 -10.515 -25.162 3 HA3 GLY 1 2HA GLY 1 22.399 -9.222 -26.342 4 H SER 2 H SER 2 20.941 -7.625 -26.010 5 HA SER 2 HA SER 2 19.813 -7.367 -23.407 6 HB2 SER 2 1HB SER 2 19.735 -5.702 -25.908 7 HB3 SER 2 2HB SER 2 18.712 -5.294 -24.531 8 HG SER 2 HG SER 2 20.921 -5.587 -23.384 9 H SER 3 H SER 3 17.467 -6.672 -23.149 10 HA SER 3 HA SER 3 15.725 -8.389 -24.793 11 HB2 SER 3 1HB SER 3 14.356 -8.713 -22.694 12 HB3 SER 3 2HB SER 3 15.944 -9.478 -22.669 13 HG SER 3 HG SER 3 15.860 -8.433 -20.773 14 H GLY 4 H GLY 4 15.646 -5.686 -22.463 15 HA2 GLY 4 1HA GLY 4 14.722 -3.612 -23.747 16 HA3 GLY 4 2HA GLY 4 13.289 -4.625 -23.854 17 H SER 5 H SER 5 11.957 -4.837 -22.106 18 HA SER 5 HA SER 5 10.977 -4.320 -20.120 19 HB2 SER 5 1HB SER 5 13.855 -4.042 -19.226 20 HB3 SER 5 2HB SER 5 12.467 -4.036 -18.138 21 HG SER 5 HG SER 5 12.715 -6.157 -19.937 22 H SER 6 H SER 6 11.152 -2.286 -22.006 23 HA SER 6 HA SER 6 11.792 0.122 -20.456 24 HB2 SER 6 1HB SER 6 12.582 -0.352 -22.920 25 HB3 SER 6 2HB SER 6 10.960 0.202 -23.334 26 HG SER 6 HG SER 6 11.585 2.051 -21.849 27 H GLY 7 H GLY 7 10.032 0.355 -19.123 28 HA2 GLY 7 1HA GLY 7 7.445 0.779 -20.489 29 HA3 GLY 7 2HA GLY 7 7.570 0.045 -18.897 30 HA PRO 8 HA PRO 8 6.665 4.514 -18.240 31 HB2 PRO 8 1HB PRO 8 4.950 4.086 -16.180 32 HB3 PRO 8 2HB PRO 8 4.447 4.039 -17.874 33 HG2 PRO 8 1HG PRO 8 5.102 1.775 -16.028 34 HG3 PRO 8 2HG PRO 8 3.771 1.921 -17.190 35 HD2 PRO 8 1HD PRO 8 6.016 0.501 -17.716 36 HD3 PRO 8 2HD PRO 8 5.106 1.353 -18.981 37 H GLY 9 H GLY 9 7.737 5.798 -16.835 38 HA2 GLY 9 1HA GLY 9 9.699 4.752 -15.124 39 HA3 GLY 9 2HA GLY 9 9.148 6.421 -15.137 40 H ALA 10 H ALA 10 9.801 5.747 -12.759 41 HA ALA 10 HA ALA 10 7.431 4.687 -11.381 42 HB1 ALA 10 1HB ALA 10 10.136 5.159 -10.154 43 HB2 ALA 10 2HB ALA 10 8.817 4.161 -9.542 44 HB3 ALA 10 3HB ALA 10 9.707 3.661 -10.980 45 HA PRO 11 HA PRO 11 6.351 8.696 -9.917 46 HB2 PRO 11 1HB PRO 11 4.951 7.986 -7.702 47 HB3 PRO 11 2HB PRO 11 4.326 7.776 -9.342 48 HG2 PRO 11 1HG PRO 11 5.606 5.765 -7.531 49 HG3 PRO 11 2HG PRO 11 4.179 5.588 -8.569 50 HD2 PRO 11 1HD PRO 11 6.621 4.657 -9.278 51 HD3 PRO 11 2HD PRO 11 5.445 5.254 -10.466 52 H SER 12 H SER 12 7.381 10.195 -8.746 53 HA SER 12 HA SER 12 8.955 9.300 -6.419 54 HB2 SER 12 1HB SER 12 10.369 10.008 -8.314 55 HB3 SER 12 2HB SER 12 9.572 11.581 -8.315 56 HG SER 12 HG SER 12 10.593 12.123 -6.504 57 H THR 13 H THR 13 9.505 11.257 -4.956 58 HA THR 13 HA THR 13 8.788 12.839 -3.484 59 HB THR 13 HB THR 13 6.731 13.715 -5.502 60 HG1 THR 13 1HG THR 13 8.360 14.077 -6.801 61 HG21 THR 13 1HG2 THR 13 6.550 15.573 -4.256 62 HG22 THR 13 2HG2 THR 13 8.296 15.703 -4.040 63 HG23 THR 13 3HG2 THR 13 7.354 14.643 -2.992 64 H VAL 14 H VAL 14 7.782 10.368 -3.042 65 HA VAL 14 HA VAL 14 4.912 10.423 -2.796 66 HB VAL 14 HB VAL 14 6.883 8.461 -1.615 67 HG11 VAL 14 1HG1 VAL 14 3.976 8.721 -1.505 68 HG12 VAL 14 2HG1 VAL 14 4.526 7.134 -2.046 69 HG13 VAL 14 3HG1 VAL 14 5.070 7.775 -0.495 70 HG21 VAL 14 1HG2 VAL 14 6.608 8.873 -4.237 71 HG22 VAL 14 2HG2 VAL 14 6.875 7.271 -3.549 72 HG23 VAL 14 3HG2 VAL 14 5.245 7.782 -3.987 73 H ARG 15 H ARG 15 3.999 11.690 -1.315 74 HA ARG 15 HA ARG 15 5.306 11.984 1.301 75 HB2 ARG 15 1HB ARG 15 3.320 13.707 -0.173 76 HB3 ARG 15 2HB ARG 15 3.672 13.931 1.536 77 HG2 ARG 15 1HG ARG 15 5.966 14.437 1.059 78 HG3 ARG 15 2HG ARG 15 5.742 14.035 -0.645 79 HD2 ARG 15 1HD ARG 15 5.698 16.405 -0.475 80 HD3 ARG 15 2HD ARG 15 4.040 15.874 -0.754 81 HE ARG 15 HE ARG 15 4.546 16.111 2.018 82 HH11 ARG 15 2HH1 ARG 15 4.006 18.024 -0.840 83 HH12 ARG 15 1HH1 ARG 15 3.335 19.366 0.027 84 HH21 ARG 15 2HH2 ARG 15 3.665 17.871 3.171 85 HH22 ARG 15 1HH2 ARG 15 3.142 19.278 2.308 86 H ILE 16 H ILE 16 4.348 11.277 3.120 87 HA ILE 16 HA ILE 16 1.609 10.211 2.893 88 HB ILE 16 HB ILE 16 3.834 9.106 4.609 89 HG12 ILE 16 1HG1 ILE 16 2.627 8.146 2.012 90 HG13 ILE 16 2HG1 ILE 16 4.307 8.571 2.320 91 HG21 ILE 16 1HG2 ILE 16 2.353 7.689 5.556 92 HG22 ILE 16 2HG2 ILE 16 1.206 8.962 5.144 93 HG23 ILE 16 3HG2 ILE 16 1.379 7.558 4.092 94 HD11 ILE 16 1HD1 ILE 16 4.410 6.289 2.353 95 HD12 ILE 16 2HD1 ILE 16 4.158 6.632 4.065 96 HD13 ILE 16 3HD1 ILE 16 2.803 6.117 3.060 97 H SER 17 H SER 17 0.190 11.197 4.156 98 HA SER 17 HA SER 17 1.134 12.389 6.680 99 HB2 SER 17 1HB SER 17 -0.924 13.526 4.772 100 HB3 SER 17 2HB SER 17 -0.530 14.198 6.354 101 HG SER 17 HG SER 17 1.469 13.784 4.408 102 H LYS 18 H LYS 18 -0.187 12.188 8.458 103 HA LYS 18 HA LYS 18 -1.960 9.974 8.497 104 HB2 LYS 18 1HB LYS 18 -0.516 10.965 10.406 105 HB3 LYS 18 2HB LYS 18 -1.861 12.073 10.646 106 HG2 LYS 18 1HG LYS 18 -3.262 10.430 11.408 107 HG3 LYS 18 2HG LYS 18 -2.414 9.151 10.536 108 HD2 LYS 18 1HD LYS 18 -0.452 9.833 12.176 109 HD3 LYS 18 2HD LYS 18 -1.799 10.398 13.167 110 HE2 LYS 18 1HE LYS 18 -1.656 7.629 11.991 111 HE3 LYS 18 2HE LYS 18 -1.038 8.031 13.592 112 HZ1 LYS 18 1HZ LYS 18 -3.261 7.159 13.757 113 HZ2 LYS 18 2HZ LYS 18 -3.847 8.319 12.675 114 HZ3 LYS 18 3HZ LYS 18 -3.272 8.793 14.193 115 H ASN 19 H ASN 19 -4.121 9.859 8.314 116 HA ASN 19 HA ASN 19 -5.584 12.390 7.958 117 HB2 ASN 19 1HB ASN 19 -5.400 10.864 5.955 118 HB3 ASN 19 2HB ASN 19 -6.365 9.691 6.846 119 HD21 ASN 19 1HD2 ASN 19 -6.375 12.553 4.986 120 HD22 ASN 19 2HD2 ASN 19 -8.081 12.827 4.997 121 H VAL 20 H VAL 20 -7.685 12.573 8.822 122 HA VAL 20 HA VAL 20 -8.048 11.562 11.392 123 HB VAL 20 HB VAL 20 -10.137 12.649 9.499 124 HG11 VAL 20 1HG1 VAL 20 -11.483 11.719 11.084 125 HG12 VAL 20 2HG1 VAL 20 -10.245 11.791 12.339 126 HG13 VAL 20 3HG1 VAL 20 -11.128 13.249 11.885 127 HG21 VAL 20 1HG2 VAL 20 -8.114 14.082 10.135 128 HG22 VAL 20 2HG2 VAL 20 -9.716 14.772 10.394 129 HG23 VAL 20 3HG2 VAL 20 -8.808 14.115 11.756 130 H ASP 21 H ASP 21 -8.934 10.242 8.303 131 HA ASP 21 HA ASP 21 -10.615 8.194 9.536 132 HB2 ASP 21 1HB ASP 21 -11.630 8.966 7.577 133 HB3 ASP 21 2HB ASP 21 -10.101 9.059 6.707 134 H GLY 22 H GLY 22 -7.399 8.677 8.578 135 HA2 GLY 22 1HA GLY 22 -6.357 6.347 9.530 136 HA3 GLY 22 2HA GLY 22 -6.803 5.950 7.877 137 H ILE 23 H ILE 23 -5.388 6.386 6.308 138 HA ILE 23 HA ILE 23 -3.244 8.324 6.864 139 HB ILE 23 HB ILE 23 -2.874 5.656 5.498 140 HG12 ILE 23 1HG1 ILE 23 -1.694 6.568 8.122 141 HG13 ILE 23 2HG1 ILE 23 -3.192 5.651 8.024 142 HG21 ILE 23 1HG2 ILE 23 -0.523 7.183 6.340 143 HG22 ILE 23 2HG2 ILE 23 -0.835 6.312 4.839 144 HG23 ILE 23 3HG2 ILE 23 -1.464 7.945 5.058 145 HD11 ILE 23 1HD1 ILE 23 -0.514 4.735 7.006 146 HD12 ILE 23 2HD1 ILE 23 -1.276 4.227 8.513 147 HD13 ILE 23 3HD1 ILE 23 -2.016 3.812 6.967 148 H HIS 24 H HIS 24 -2.812 9.728 5.266 149 HA HIS 24 HA HIS 24 -4.304 9.413 2.757 150 HB2 HIS 24 1HB HIS 24 -4.619 11.477 4.206 151 HB3 HIS 24 2HB HIS 24 -2.975 11.929 3.764 152 HD1 HIS 24 1HD HIS 24 -3.352 13.876 2.252 153 HD2 HIS 24 2HD HIS 24 -5.754 10.631 1.271 154 HE1 HIS 24 1HE HIS 24 -4.493 14.510 0.102 155 HE2 HIS 24 2HE HIS 24 -6.005 12.567 -0.427 156 H LEU 25 H LEU 25 -3.005 8.232 1.438 157 HA LEU 25 HA LEU 25 -0.177 8.832 1.223 158 HB2 LEU 25 1HB LEU 25 -1.429 6.521 1.057 159 HB3 LEU 25 2HB LEU 25 -1.586 6.980 -0.637 160 HG LEU 25 HG LEU 25 1.030 7.348 -0.394 161 HD11 LEU 25 1HD1 LEU 25 0.458 5.185 1.626 162 HD12 LEU 25 2HD1 LEU 25 1.042 6.805 2.006 163 HD13 LEU 25 3HD1 LEU 25 2.045 5.706 1.060 164 HD21 LEU 25 1HD2 LEU 25 -0.686 5.189 -1.257 165 HD22 LEU 25 2HD2 LEU 25 0.887 4.591 -0.729 166 HD23 LEU 25 3HD2 LEU 25 0.788 5.819 -1.992 167 H SER 26 H SER 26 0.820 9.860 -0.436 168 HA SER 26 HA SER 26 -0.622 10.514 -2.863 169 HB2 SER 26 1HB SER 26 0.488 12.772 -1.190 170 HB3 SER 26 2HB SER 26 -0.478 12.892 -2.661 171 HG SER 26 HG SER 26 -1.373 11.798 -0.198 172 H TRP 27 H TRP 27 0.714 10.952 -4.580 173 HA TRP 27 HA TRP 27 3.554 11.379 -4.127 174 HB2 TRP 27 1HB TRP 27 4.219 9.477 -5.543 175 HB3 TRP 27 2HB TRP 27 3.367 8.941 -4.097 176 HD1 TRP 27 HD TRP 27 2.990 9.142 -7.896 177 HE1 TRP 27 1HE TRP 27 1.033 7.631 -8.611 178 HE3 TRP 27 3HE TRP 27 1.161 7.940 -3.275 179 HZ2 TRP 27 2HZ TRP 27 -1.016 6.129 -7.379 180 HZ3 TRP 27 3HZ TRP 27 -0.800 6.461 -3.131 181 HH2 TRP 27 HH TRP 27 -1.865 5.576 -5.142 182 H GLU 28 H GLU 28 4.704 11.504 -6.351 183 HA GLU 28 HA GLU 28 2.944 13.017 -8.164 184 HB2 GLU 28 1HB GLU 28 5.909 13.295 -7.652 185 HB3 GLU 28 2HB GLU 28 5.031 14.176 -8.894 186 HG2 GLU 28 1HG GLU 28 3.560 15.050 -7.018 187 HG3 GLU 28 2HG GLU 28 4.778 14.411 -5.916 188 HA PRO 29 HA PRO 29 3.711 10.144 -11.397 189 HB2 PRO 29 1HB PRO 29 3.499 11.774 -13.558 190 HB3 PRO 29 2HB PRO 29 2.105 11.269 -12.595 191 HG2 PRO 29 1HG PRO 29 3.645 13.835 -12.499 192 HG3 PRO 29 2HG PRO 29 1.891 13.580 -12.439 193 HD2 PRO 29 1HD PRO 29 3.371 14.056 -10.222 194 HD3 PRO 29 2HD PRO 29 1.921 13.032 -10.200 195 HA PRO 30 HA PRO 30 7.937 10.268 -12.616 196 HB2 PRO 30 1HB PRO 30 7.855 8.898 -14.958 197 HB3 PRO 30 2HB PRO 30 7.657 8.120 -13.383 198 HG2 PRO 30 1HG PRO 30 5.569 8.958 -15.357 199 HG3 PRO 30 2HG PRO 30 5.679 7.462 -14.411 200 HD2 PRO 30 1HD PRO 30 4.059 9.515 -13.708 201 HD3 PRO 30 2HD PRO 30 4.828 8.452 -12.512 202 H THR 31 H THR 31 9.194 11.765 -13.533 203 HA THR 31 HA THR 31 8.056 13.567 -15.500 204 HB THR 31 HB THR 31 9.262 14.654 -13.759 205 HG1 THR 31 1HG THR 31 9.761 15.116 -16.178 206 HG21 THR 31 1HG2 THR 31 11.857 14.106 -13.720 207 HG22 THR 31 2HG2 THR 31 11.283 12.534 -14.276 208 HG23 THR 31 3HG2 THR 31 10.704 13.193 -12.747 209 H SER 32 H SER 32 9.382 10.655 -15.798 210 HA SER 32 HA SER 32 11.236 11.231 -17.962 211 HB2 SER 32 1HB SER 32 12.087 9.424 -16.834 212 HB3 SER 32 2HB SER 32 10.493 8.825 -16.373 213 HG SER 32 HG SER 32 10.326 7.777 -18.234 214 HA PRO 33 HA PRO 33 8.354 10.794 -21.249 215 HB2 PRO 33 1HB PRO 33 9.983 9.827 -23.194 216 HB3 PRO 33 2HB PRO 33 10.040 11.504 -22.640 217 HG2 PRO 33 1HG PRO 33 11.802 9.202 -21.895 218 HG3 PRO 33 2HG PRO 33 12.248 10.877 -22.265 219 HD2 PRO 33 1HD PRO 33 12.065 9.945 -19.730 220 HD3 PRO 33 2HD PRO 33 11.685 11.625 -20.159 221 H SER 34 H SER 34 6.867 9.229 -20.844 222 HA SER 34 HA SER 34 7.628 6.460 -21.508 223 HB2 SER 34 1HB SER 34 5.775 5.789 -19.904 224 HB3 SER 34 2HB SER 34 7.213 6.488 -19.160 225 HG SER 34 HG SER 34 6.090 8.476 -19.045 226 H GLY 35 H GLY 35 5.134 8.943 -21.619 227 HA2 GLY 35 1HA GLY 35 4.024 9.020 -23.877 228 HA3 GLY 35 2HA GLY 35 3.696 7.313 -23.620 229 H ASN 36 H ASN 36 1.640 6.972 -23.141 230 HA ASN 36 HA ASN 36 0.235 8.972 -21.496 231 HB2 ASN 36 1HB ASN 36 -1.855 7.916 -22.537 232 HB3 ASN 36 2HB ASN 36 -0.854 8.911 -23.591 233 HD21 ASN 36 1HD2 ASN 36 0.148 8.004 -25.317 234 HD22 ASN 36 2HD2 ASN 36 -0.066 6.358 -25.795 235 H ILE 37 H ILE 37 -0.002 8.328 -19.466 236 HA ILE 37 HA ILE 37 0.029 5.511 -18.783 237 HB ILE 37 HB ILE 37 -0.303 7.877 -16.938 238 HG12 ILE 37 1HG1 ILE 37 1.834 7.714 -18.425 239 HG13 ILE 37 2HG1 ILE 37 2.008 8.019 -16.700 240 HG21 ILE 37 1HG2 ILE 37 0.922 5.931 -15.506 241 HG22 ILE 37 2HG2 ILE 37 -0.819 6.207 -15.526 242 HG23 ILE 37 3HG2 ILE 37 -0.110 4.971 -16.564 243 HD11 ILE 37 1HD1 ILE 37 3.136 6.131 -16.384 244 HD12 ILE 37 2HD1 ILE 37 2.001 5.188 -17.350 245 HD13 ILE 37 3HD1 ILE 37 3.302 6.080 -18.139 246 H LEU 38 H LEU 38 -1.874 4.578 -19.384 247 HA LEU 38 HA LEU 38 -4.398 5.493 -19.495 248 HB2 LEU 38 1HB LEU 38 -3.565 2.845 -18.320 249 HB3 LEU 38 2HB LEU 38 -5.185 3.236 -18.892 250 HG LEU 38 HG LEU 38 -2.742 3.225 -20.658 251 HD11 LEU 38 1HD1 LEU 38 -4.416 1.033 -19.677 252 HD12 LEU 38 2HD1 LEU 38 -2.814 1.001 -20.412 253 HD13 LEU 38 3HD1 LEU 38 -4.249 1.095 -21.432 254 HD21 LEU 38 1HD2 LEU 38 -5.701 3.320 -21.228 255 HD22 LEU 38 2HD2 LEU 38 -4.447 3.108 -22.450 256 HD23 LEU 38 3HD2 LEU 38 -4.523 4.601 -21.514 257 H GLU 39 H GLU 39 -3.422 3.710 -16.571 258 HA GLU 39 HA GLU 39 -4.641 5.773 -14.904 259 HB2 GLU 39 1HB GLU 39 -5.481 2.869 -14.839 260 HB3 GLU 39 2HB GLU 39 -5.944 4.075 -13.646 261 HG2 GLU 39 1HG GLU 39 -7.782 3.955 -15.049 262 HG3 GLU 39 2HG GLU 39 -6.916 5.380 -15.621 263 H TYR 40 H TYR 40 -4.517 4.739 -12.472 264 HA TYR 40 HA TYR 40 -1.737 3.806 -12.174 265 HB2 TYR 40 1HB TYR 40 -3.274 5.840 -10.565 266 HB3 TYR 40 2HB TYR 40 -1.809 5.074 -9.960 267 HD1 TYR 40 2HD TYR 40 -2.935 6.727 -13.126 268 HD2 TYR 40 1HD TYR 40 0.110 6.320 -10.183 269 HE1 TYR 40 2HE TYR 40 -1.579 8.406 -14.306 270 HE2 TYR 40 1HE TYR 40 1.474 7.998 -11.353 271 HH TYR 40 HH TYR 40 0.817 9.035 -14.495 272 H SER 41 H SER 41 -1.341 2.791 -9.986 273 HA SER 41 HA SER 41 -3.615 1.567 -8.697 274 HB2 SER 41 1HB SER 41 -2.937 0.196 -10.835 275 HB3 SER 41 2HB SER 41 -1.620 -0.373 -9.810 276 HG SER 41 HG SER 41 -3.725 -1.579 -9.829 277 H ALA 42 H ALA 42 -3.184 1.148 -6.613 278 HA ALA 42 HA ALA 42 -0.364 1.266 -5.760 279 HB1 ALA 42 1HB ALA 42 -1.449 3.180 -4.907 280 HB2 ALA 42 2HB ALA 42 -2.861 2.249 -4.402 281 HB3 ALA 42 3HB ALA 42 -1.326 2.052 -3.555 282 H TYR 43 H TYR 43 0.390 -0.213 -4.277 283 HA TYR 43 HA TYR 43 -1.466 -2.356 -3.482 284 HB2 TYR 43 1HB TYR 43 1.385 -2.753 -4.413 285 HB3 TYR 43 2HB TYR 43 0.270 -4.016 -3.904 286 HD1 TYR 43 2HD TYR 43 0.691 -1.338 -6.459 287 HD2 TYR 43 1HD TYR 43 -1.078 -5.082 -5.479 288 HE1 TYR 43 2HE TYR 43 -0.098 -1.565 -8.777 289 HE2 TYR 43 1HE TYR 43 -1.871 -5.320 -7.795 290 HH TYR 43 HH TYR 43 -1.296 -4.477 -10.033 291 H LEU 44 H LEU 44 -0.764 -3.595 -1.605 292 HA LEU 44 HA LEU 44 1.233 -2.294 0.087 293 HB2 LEU 44 1HB LEU 44 -0.682 -1.182 0.847 294 HB3 LEU 44 2HB LEU 44 -1.674 -2.634 0.736 295 HG LEU 44 HG LEU 44 -0.263 -3.554 2.646 296 HD11 LEU 44 1HD1 LEU 44 1.387 -1.519 2.213 297 HD12 LEU 44 2HD1 LEU 44 1.180 -2.242 3.808 298 HD13 LEU 44 3HD1 LEU 44 0.332 -0.750 3.400 299 HD21 LEU 44 1HD2 LEU 44 -2.613 -2.298 2.638 300 HD22 LEU 44 2HD2 LEU 44 -1.703 -1.159 3.630 301 HD23 LEU 44 3HD2 LEU 44 -1.836 -2.847 4.123 302 H ALA 45 H ALA 45 2.555 -3.800 0.838 303 HA ALA 45 HA ALA 45 2.275 -6.527 0.501 304 HB1 ALA 45 1HB ALA 45 4.013 -4.801 2.164 305 HB2 ALA 45 2HB ALA 45 3.945 -6.514 2.580 306 HB3 ALA 45 3HB ALA 45 4.437 -6.019 0.960 307 H ILE 46 H ILE 46 1.102 -8.052 1.460 308 HA ILE 46 HA ILE 46 -0.148 -7.423 4.053 309 HB ILE 46 HB ILE 46 -1.895 -9.068 3.443 310 HG12 ILE 46 1HG1 ILE 46 -0.868 -8.982 0.622 311 HG13 ILE 46 2HG1 ILE 46 -0.274 -10.199 1.747 312 HG21 ILE 46 1HG2 ILE 46 -2.357 -6.749 3.073 313 HG22 ILE 46 2HG2 ILE 46 -1.473 -6.765 1.548 314 HG23 ILE 46 3HG2 ILE 46 -2.985 -7.659 1.700 315 HD11 ILE 46 1HD1 ILE 46 -2.143 -10.950 0.294 316 HD12 ILE 46 2HD1 ILE 46 -2.462 -11.104 2.022 317 HD13 ILE 46 3HD1 ILE 46 -3.181 -9.780 1.107 318 H ARG 47 H ARG 47 -0.951 -9.734 5.006 319 HA ARG 47 HA ARG 47 1.373 -10.957 5.997 320 HB2 ARG 47 1HB ARG 47 -1.035 -10.886 6.967 321 HB3 ARG 47 2HB ARG 47 -1.297 -12.330 5.998 322 HG2 ARG 47 1HG ARG 47 0.127 -13.609 7.267 323 HG3 ARG 47 2HG ARG 47 1.049 -12.214 7.830 324 HD2 ARG 47 1HD ARG 47 -0.763 -11.541 9.271 325 HD3 ARG 47 2HD ARG 47 -1.793 -12.820 8.630 326 HE ARG 47 HE ARG 47 0.313 -14.190 9.603 327 HH11 ARG 47 2HH1 ARG 47 -1.736 -11.726 10.964 328 HH12 ARG 47 1HH1 ARG 47 -1.578 -12.308 12.588 329 HH21 ARG 47 2HH2 ARG 47 0.528 -14.966 11.737 330 HH22 ARG 47 1HH2 ARG 47 -0.290 -14.151 13.026 331 H THR 48 H THR 48 1.580 -13.463 5.929 332 HA THR 48 HA THR 48 1.180 -14.460 3.197 333 HB THR 48 HB THR 48 3.507 -13.558 3.425 334 HG1 THR 48 1HG THR 48 2.866 -15.413 2.052 335 HG21 THR 48 1HG2 THR 48 4.203 -15.926 5.097 336 HG22 THR 48 2HG2 THR 48 3.568 -14.487 5.894 337 HG23 THR 48 3HG2 THR 48 5.038 -14.383 4.926 338 H ALA 49 H ALA 49 0.753 -16.618 3.038 339 HA ALA 49 HA ALA 49 -0.339 -17.994 5.170 340 HB1 ALA 49 1HB ALA 49 0.470 -18.663 2.432 341 HB2 ALA 49 2HB ALA 49 0.411 -20.033 3.540 342 HB3 ALA 49 3HB ALA 49 -1.020 -19.031 3.300 343 H GLN 50 H GLN 50 0.363 -19.660 6.512 344 HA GLN 50 HA GLN 50 3.116 -19.502 7.298 345 HB2 GLN 50 1HB GLN 50 2.265 -21.485 8.827 346 HB3 GLN 50 2HB GLN 50 1.811 -19.818 9.156 347 HG2 GLN 50 1HG GLN 50 -0.348 -20.114 8.374 348 HG3 GLN 50 2HG GLN 50 0.081 -21.547 7.442 349 HE21 GLN 50 1HE2 GLN 50 0.084 -23.525 8.415 350 HE22 GLN 50 2HE2 GLN 50 -0.481 -23.797 10.024 351 H MET 51 H MET 51 4.721 -21.008 7.081 352 HA MET 51 HA MET 51 4.221 -23.615 5.983 353 HB2 MET 51 1HB MET 51 4.292 -21.827 4.049 354 HB3 MET 51 2HB MET 51 6.030 -21.939 4.294 355 HG2 MET 51 1HG MET 51 4.444 -24.435 3.944 356 HG3 MET 51 2HG MET 51 4.828 -23.445 2.538 357 HE1 MET 51 1HE MET 51 5.717 -25.807 1.826 358 HE2 MET 51 2HE MET 51 7.330 -26.399 2.223 359 HE3 MET 51 3HE MET 51 5.986 -26.689 3.329 360 H GLN 52 H GLN 52 5.601 -24.920 6.975 361 HA GLN 52 HA GLN 52 7.558 -24.256 8.729 362 HB2 GLN 52 1HB GLN 52 6.597 -26.588 7.969 363 HB3 GLN 52 2HB GLN 52 8.050 -26.630 6.980 364 HG2 GLN 52 1HG GLN 52 8.287 -25.993 9.878 365 HG3 GLN 52 2HG GLN 52 8.028 -27.663 9.377 366 HE21 GLN 52 1HE2 GLN 52 9.488 -28.061 7.252 367 HE22 GLN 52 2HE2 GLN 52 11.160 -27.726 7.526 368 H ASP 53 H ASP 53 9.192 -22.889 8.445 369 HA ASP 53 HA ASP 53 11.105 -21.950 7.646 370 HB2 ASP 53 1HB ASP 53 11.624 -24.529 7.477 371 HB3 ASP 53 2HB ASP 53 11.532 -24.220 5.745 372 H ASN 54 H ASN 54 8.962 -20.859 6.572 373 HA ASN 54 HA ASN 54 8.847 -21.006 3.723 374 HB2 ASN 54 1HB ASN 54 7.315 -19.109 3.885 375 HB3 ASN 54 2HB ASN 54 6.906 -20.329 5.087 376 HD21 ASN 54 1HD2 ASN 54 6.102 -17.652 5.215 377 HD22 ASN 54 2HD2 ASN 54 6.845 -16.928 6.597 378 HA PRO 55 HA PRO 55 12.281 -18.382 2.799 379 HB2 PRO 55 1HB PRO 55 11.679 -17.911 0.194 380 HB3 PRO 55 2HB PRO 55 12.340 -19.448 0.765 381 HG2 PRO 55 1HG PRO 55 9.502 -18.716 0.153 382 HG3 PRO 55 2HG PRO 55 10.388 -20.198 -0.253 383 HD2 PRO 55 1HD PRO 55 8.667 -20.054 1.833 384 HD3 PRO 55 2HD PRO 55 10.107 -21.092 1.853 385 H SER 56 H SER 56 12.744 -16.196 2.168 386 HA SER 56 HA SER 56 10.952 -14.300 3.196 387 HB2 SER 56 1HB SER 56 13.381 -13.978 1.424 388 HB3 SER 56 2HB SER 56 12.507 -12.619 2.131 389 HG SER 56 HG SER 56 14.334 -14.250 3.265 390 H GLN 57 H GLN 57 8.971 -14.183 2.271 391 HA GLN 57 HA GLN 57 8.884 -13.321 -0.539 392 HB2 GLN 57 1HB GLN 57 7.194 -15.398 0.831 393 HB3 GLN 57 2HB GLN 57 6.611 -14.542 -0.591 394 HG2 GLN 57 1HG GLN 57 9.280 -15.851 -0.699 395 HG3 GLN 57 2HG GLN 57 7.830 -16.849 -0.799 396 HE21 GLN 57 1HE2 GLN 57 7.742 -17.427 -2.868 397 HE22 GLN 57 2HE2 GLN 57 7.747 -16.340 -4.210 398 H LEU 58 H LEU 58 7.208 -11.878 -1.086 399 HA LEU 58 HA LEU 58 5.656 -10.775 1.146 400 HB2 LEU 58 1HB LEU 58 7.648 -9.376 -0.555 401 HB3 LEU 58 2HB LEU 58 6.184 -8.500 -0.116 402 HG LEU 58 HG LEU 58 8.008 -9.761 1.920 403 HD11 LEU 58 1HD1 LEU 58 9.253 -8.109 0.591 404 HD12 LEU 58 2HD1 LEU 58 8.998 -7.579 2.254 405 HD13 LEU 58 3HD1 LEU 58 8.015 -6.906 0.953 406 HD21 LEU 58 1HD2 LEU 58 6.880 -8.284 3.464 407 HD22 LEU 58 2HD2 LEU 58 5.690 -9.263 2.605 408 HD23 LEU 58 3HD2 LEU 58 5.941 -7.577 2.149 409 H VAL 59 H VAL 59 3.584 -10.785 0.616 410 HA VAL 59 HA VAL 59 2.814 -10.844 -2.202 411 HB VAL 59 HB VAL 59 1.146 -11.289 0.278 412 HG11 VAL 59 1HG1 VAL 59 0.380 -10.726 -2.405 413 HG12 VAL 59 2HG1 VAL 59 -0.035 -12.402 -2.041 414 HG13 VAL 59 3HG1 VAL 59 -0.644 -11.100 -1.020 415 HG21 VAL 59 1HG2 VAL 59 2.155 -13.290 -1.740 416 HG22 VAL 59 2HG2 VAL 59 2.874 -13.016 -0.153 417 HG23 VAL 59 3HG2 VAL 59 1.227 -13.631 -0.279 418 H PHE 60 H PHE 60 2.200 -9.055 -3.204 419 HA PHE 60 HA PHE 60 1.253 -6.785 -1.592 420 HB2 PHE 60 1HB PHE 60 2.392 -6.792 -4.396 421 HB3 PHE 60 2HB PHE 60 1.918 -5.365 -3.479 422 HD1 PHE 60 1HD PHE 60 4.394 -8.043 -3.812 423 HD2 PHE 60 2HD PHE 60 3.298 -4.508 -1.711 424 HE1 PHE 60 1HE PHE 60 6.660 -7.909 -2.863 425 HE2 PHE 60 2HE PHE 60 5.562 -4.367 -0.759 426 HZ PHE 60 HZ PHE 60 7.247 -6.068 -1.335 427 H MET 61 H MET 61 -0.814 -6.224 -1.714 428 HA MET 61 HA MET 61 -2.370 -7.111 -4.054 429 HB2 MET 61 1HB MET 61 -4.311 -7.337 -2.590 430 HB3 MET 61 2HB MET 61 -2.989 -8.352 -2.030 431 HG2 MET 61 1HG MET 61 -2.598 -7.056 -0.170 432 HG3 MET 61 2HG MET 61 -3.336 -5.624 -0.884 433 HE1 MET 61 1HE MET 61 -4.106 -5.570 1.695 434 HE2 MET 61 2HE MET 61 -5.349 -4.815 0.697 435 HE3 MET 61 3HE MET 61 -5.808 -5.938 1.978 436 H ARG 62 H ARG 62 -3.873 -5.695 -4.921 437 HA ARG 62 HA ARG 62 -3.286 -2.941 -4.699 438 HB2 ARG 62 1HB ARG 62 -4.176 -3.984 -6.751 439 HB3 ARG 62 2HB ARG 62 -5.705 -4.271 -5.932 440 HG2 ARG 62 1HG ARG 62 -6.006 -1.851 -5.668 441 HG3 ARG 62 2HG ARG 62 -4.489 -1.583 -6.531 442 HD2 ARG 62 1HD ARG 62 -6.189 -1.300 -8.136 443 HD3 ARG 62 2HD ARG 62 -5.509 -2.898 -8.442 444 HE ARG 62 HE ARG 62 -7.605 -3.377 -6.772 445 HH11 ARG 62 2HH1 ARG 62 -7.236 -1.742 -9.823 446 HH12 ARG 62 1HH1 ARG 62 -8.842 -2.109 -10.362 447 HH21 ARG 62 2HH2 ARG 62 -9.720 -3.867 -7.470 448 HH22 ARG 62 1HH2 ARG 62 -10.254 -3.317 -9.022 449 H ILE 63 H ILE 63 -4.080 -1.401 -3.412 450 HA ILE 63 HA ILE 63 -6.348 -2.103 -1.669 451 HB ILE 63 HB ILE 63 -5.461 -0.355 -0.122 452 HG12 ILE 63 1HG1 ILE 63 -3.047 -0.454 -1.944 453 HG13 ILE 63 2HG1 ILE 63 -4.160 0.903 -1.809 454 HG21 ILE 63 1HG2 ILE 63 -4.026 -1.814 0.940 455 HG22 ILE 63 2HG2 ILE 63 -4.916 -2.899 -0.127 456 HG23 ILE 63 3HG2 ILE 63 -3.296 -2.361 -0.569 457 HD11 ILE 63 1HD1 ILE 63 -2.665 1.680 -0.344 458 HD12 ILE 63 2HD1 ILE 63 -3.431 0.555 0.779 459 HD13 ILE 63 3HD1 ILE 63 -1.956 0.089 -0.069 460 H TYR 64 H TYR 64 -5.032 0.274 -3.857 461 HA TYR 64 HA TYR 64 -7.568 1.763 -3.683 462 HB2 TYR 64 1HB TYR 64 -5.983 3.241 -2.755 463 HB3 TYR 64 2HB TYR 64 -4.753 2.802 -3.935 464 HD1 TYR 64 1HD TYR 64 -8.063 4.482 -3.634 465 HD2 TYR 64 2HD TYR 64 -4.449 4.104 -5.847 466 HE1 TYR 64 1HE TYR 64 -8.719 6.403 -5.022 467 HE2 TYR 64 2HE TYR 64 -5.095 6.024 -7.241 468 HH TYR 64 HH TYR 64 -7.829 7.096 -7.742 469 H CYS 65 H CYS 65 -8.582 2.227 -5.565 470 HA CYS 65 HA CYS 65 -7.205 1.487 -8.062 471 HB2 CYS 65 1HB CYS 65 -9.364 0.665 -8.925 472 HB3 CYS 65 2HB CYS 65 -8.847 -0.228 -7.500 473 HG CYS 65 HG CYS 65 -11.350 2.084 -7.710 474 H GLY 66 H GLY 66 -7.081 3.075 -9.503 475 HA2 GLY 66 1HA GLY 66 -9.103 4.767 -10.324 476 HA3 GLY 66 2HA GLY 66 -8.285 5.613 -9.019 477 H LEU 67 H LEU 67 -7.839 7.190 -10.743 478 HA LEU 67 HA LEU 67 -5.433 6.421 -12.259 479 HB2 LEU 67 1HB LEU 67 -6.111 8.041 -13.984 480 HB3 LEU 67 2HB LEU 67 -7.246 6.704 -13.809 481 HG LEU 67 HG LEU 67 -7.814 9.243 -12.360 482 HD11 LEU 67 1HD1 LEU 67 -9.132 9.809 -14.557 483 HD12 LEU 67 2HD1 LEU 67 -7.837 8.883 -15.315 484 HD13 LEU 67 3HD1 LEU 67 -7.453 10.310 -14.353 485 HD21 LEU 67 1HD2 LEU 67 -9.639 8.050 -11.931 486 HD22 LEU 67 2HD2 LEU 67 -9.172 6.803 -13.087 487 HD23 LEU 67 3HD2 LEU 67 -10.070 8.219 -13.633 488 H LYS 68 H LYS 68 -6.228 7.944 -9.627 489 HA LYS 68 HA LYS 68 -4.725 10.411 -10.132 490 HB2 LYS 68 1HB LYS 68 -7.037 10.148 -8.820 491 HB3 LYS 68 2HB LYS 68 -5.943 9.850 -7.475 492 HG2 LYS 68 1HG LYS 68 -5.394 12.217 -9.166 493 HG3 LYS 68 2HG LYS 68 -6.808 12.278 -8.110 494 HD2 LYS 68 1HD LYS 68 -5.389 11.721 -6.190 495 HD3 LYS 68 2HD LYS 68 -3.978 11.669 -7.249 496 HE2 LYS 68 1HE LYS 68 -5.727 14.099 -6.919 497 HE3 LYS 68 2HE LYS 68 -4.282 13.804 -5.954 498 HZ1 LYS 68 1HZ LYS 68 -2.990 13.742 -8.014 499 HZ2 LYS 68 2HZ LYS 68 -3.772 15.228 -7.815 500 HZ3 LYS 68 3HZ LYS 68 -4.383 14.091 -8.909 501 H THR 69 H THR 69 -2.996 11.030 -8.745 502 HA THR 69 HA THR 69 -1.347 8.795 -7.955 503 HB THR 69 HB THR 69 0.397 10.444 -7.536 504 HG1 THR 69 1HG THR 69 -1.147 12.082 -6.743 505 HG21 THR 69 1HG2 THR 69 -0.051 9.711 -9.864 506 HG22 THR 69 2HG2 THR 69 0.635 11.333 -9.774 507 HG23 THR 69 3HG2 THR 69 -1.089 11.120 -10.077 508 H SER 70 H SER 70 -3.840 9.631 -6.432 509 HA SER 70 HA SER 70 -2.563 9.819 -3.783 510 HB2 SER 70 1HB SER 70 -4.110 11.351 -3.033 511 HB3 SER 70 2HB SER 70 -4.030 11.820 -4.731 512 HG SER 70 HG SER 70 -6.193 11.533 -3.872 513 H CYS 71 H CYS 71 -3.106 8.302 -2.332 514 HA CYS 71 HA CYS 71 -5.405 6.565 -2.934 515 HB2 CYS 71 1HB CYS 71 -3.729 5.086 -3.466 516 HB3 CYS 71 2HB CYS 71 -2.570 5.842 -2.380 517 HG CYS 71 HG CYS 71 -3.292 4.565 -0.139 518 H THR 72 H THR 72 -6.238 5.390 -1.047 519 HA THR 72 HA THR 72 -5.696 6.770 1.496 520 HB THR 72 HB THR 72 -8.456 5.980 0.549 521 HG1 THR 72 1HG THR 72 -7.177 7.936 -0.396 522 HG21 THR 72 1HG2 THR 72 -7.531 6.377 3.109 523 HG22 THR 72 2HG2 THR 72 -9.209 6.528 2.590 524 HG23 THR 72 3HG2 THR 72 -8.182 7.958 2.679 525 H VAL 73 H VAL 73 -5.475 5.478 3.228 526 HA VAL 73 HA VAL 73 -6.290 2.658 2.967 527 HB VAL 73 HB VAL 73 -3.778 3.600 4.351 528 HG11 VAL 73 1HG1 VAL 73 -3.294 1.380 4.782 529 HG12 VAL 73 2HG1 VAL 73 -5.042 1.430 5.023 530 HG13 VAL 73 3HG1 VAL 73 -4.375 0.791 3.520 531 HG21 VAL 73 1HG2 VAL 73 -4.311 2.916 1.547 532 HG22 VAL 73 2HG2 VAL 73 -2.994 3.849 2.258 533 HG23 VAL 73 3HG2 VAL 73 -2.929 2.086 2.263 534 H THR 74 H THR 74 -7.776 2.186 4.433 535 HA THR 74 HA THR 74 -8.087 3.809 6.812 536 HB THR 74 HB THR 74 -10.084 2.405 7.246 537 HG1 THR 74 1HG THR 74 -9.970 0.484 6.348 538 HG21 THR 74 1HG2 THR 74 -11.399 3.174 5.331 539 HG22 THR 74 2HG2 THR 74 -9.916 3.471 4.423 540 HG23 THR 74 3HG2 THR 74 -10.273 4.423 5.864 541 H ALA 75 H ALA 75 -8.626 2.580 8.901 542 HA ALA 75 HA ALA 75 -6.334 1.292 9.827 543 HB1 ALA 75 1HB ALA 75 -8.396 2.414 11.059 544 HB2 ALA 75 2HB ALA 75 -8.906 0.731 11.195 545 HB3 ALA 75 3HB ALA 75 -7.354 1.238 11.861 546 H GLY 76 H GLY 76 -9.549 -0.186 9.316 547 HA2 GLY 76 1HA GLY 76 -9.041 -2.797 9.778 548 HA3 GLY 76 2HA GLY 76 -10.081 -2.271 8.463 549 H GLN 77 H GLN 77 -8.231 -1.107 6.762 550 HA GLN 77 HA GLN 77 -7.175 -3.402 5.470 551 HB2 GLN 77 1HB GLN 77 -7.080 -0.455 4.969 552 HB3 GLN 77 2HB GLN 77 -5.996 -1.510 4.072 553 HG2 GLN 77 1HG GLN 77 -8.968 -1.932 4.177 554 HG3 GLN 77 2HG GLN 77 -8.177 -0.937 2.955 555 HE21 GLN 77 1HE2 GLN 77 -8.242 -2.042 1.129 556 HE22 GLN 77 2HE2 GLN 77 -7.771 -3.692 0.927 557 H LEU 78 H LEU 78 -5.684 -0.727 7.257 558 HA LEU 78 HA LEU 78 -3.017 -1.291 6.858 559 HB2 LEU 78 1HB LEU 78 -4.533 -0.125 9.154 560 HB3 LEU 78 2HB LEU 78 -2.801 -0.418 9.306 561 HG LEU 78 HG LEU 78 -3.962 1.254 7.091 562 HD11 LEU 78 1HD1 LEU 78 -3.016 3.134 8.656 563 HD12 LEU 78 2HD1 LEU 78 -3.385 1.965 9.923 564 HD13 LEU 78 3HD1 LEU 78 -4.664 2.537 8.852 565 HD21 LEU 78 1HD2 LEU 78 -1.486 0.203 7.365 566 HD22 LEU 78 2HD2 LEU 78 -1.281 1.742 8.202 567 HD23 LEU 78 3HD2 LEU 78 -1.832 1.715 6.526 568 H ALA 79 H ALA 79 -5.241 -2.738 9.197 569 HA ALA 79 HA ALA 79 -3.520 -4.225 10.737 570 HB1 ALA 79 1HB ALA 79 -5.630 -4.469 11.516 571 HB2 ALA 79 2HB ALA 79 -6.338 -4.527 9.901 572 HB3 ALA 79 3HB ALA 79 -5.554 -5.957 10.571 573 H ASN 80 H ASN 80 -4.739 -4.963 7.506 574 HA ASN 80 HA ASN 80 -3.574 -7.568 7.389 575 HB2 ASN 80 1HB ASN 80 -4.561 -5.754 5.176 576 HB3 ASN 80 2HB ASN 80 -4.126 -7.449 4.975 577 HD21 ASN 80 1HD2 ASN 80 -6.659 -5.490 5.189 578 HD22 ASN 80 2HD2 ASN 80 -7.819 -6.539 5.924 579 H ALA 81 H ALA 81 -2.405 -4.376 6.899 580 HA ALA 81 HA ALA 81 -0.335 -4.802 5.071 581 HB1 ALA 81 1HB ALA 81 -1.263 -2.624 6.243 582 HB2 ALA 81 2HB ALA 81 0.103 -2.911 7.322 583 HB3 ALA 81 3HB ALA 81 0.375 -2.697 5.592 584 H HIS 82 H HIS 82 1.301 -6.178 5.199 585 HA HIS 82 HA HIS 82 2.105 -7.393 7.654 586 HB2 HIS 82 1HB HIS 82 2.264 -8.720 5.678 587 HB3 HIS 82 2HB HIS 82 3.223 -7.496 4.852 588 HD1 HIS 82 1HD HIS 82 3.527 -10.523 6.836 589 HD2 HIS 82 2HD HIS 82 5.907 -7.219 6.007 590 HE1 HIS 82 1HE HIS 82 5.864 -11.201 7.472 591 HE2 HIS 82 2HE HIS 82 7.272 -9.157 7.042 592 H ILE 83 H ILE 83 3.448 -6.586 9.112 593 HA ILE 83 HA ILE 83 5.274 -4.429 8.316 594 HB ILE 83 HB ILE 83 4.373 -5.241 11.083 595 HG12 ILE 83 1HG1 ILE 83 3.619 -2.805 9.456 596 HG13 ILE 83 2HG1 ILE 83 2.603 -4.232 9.631 597 HG21 ILE 83 1HG2 ILE 83 6.333 -4.218 11.583 598 HG22 ILE 83 2HG2 ILE 83 6.368 -3.305 10.075 599 HG23 ILE 83 3HG2 ILE 83 5.338 -2.772 11.404 600 HD11 ILE 83 1HD1 ILE 83 3.510 -3.066 12.158 601 HD12 ILE 83 2HD1 ILE 83 2.458 -2.029 11.192 602 HD13 ILE 83 3HD1 ILE 83 1.914 -3.637 11.672 603 H ASP 84 H ASP 84 7.450 -4.548 8.646 604 HA ASP 84 HA ASP 84 8.506 -7.204 9.281 605 HB2 ASP 84 1HB ASP 84 9.270 -6.315 7.177 606 HB3 ASP 84 2HB ASP 84 9.759 -4.804 7.939 607 H TYR 85 H TYR 85 8.533 -7.276 11.496 608 HA TYR 85 HA TYR 85 9.540 -5.116 13.088 609 HB2 TYR 85 1HB TYR 85 8.667 -7.932 13.667 610 HB3 TYR 85 2HB TYR 85 9.468 -6.970 14.905 611 HD1 TYR 85 1HD TYR 85 8.427 -4.526 15.193 612 HD2 TYR 85 2HD TYR 85 6.363 -7.893 13.610 613 HE1 TYR 85 1HE TYR 85 6.281 -3.473 15.769 614 HE2 TYR 85 2HE TYR 85 4.211 -6.849 14.181 615 HH TYR 85 HH TYR 85 3.892 -4.320 16.272 616 H THR 86 H THR 86 10.840 -8.062 11.728 617 HA THR 86 HA THR 86 13.046 -8.677 13.108 618 HB THR 86 HB THR 86 12.967 -8.253 10.115 619 HG1 THR 86 1HG THR 86 11.606 -9.905 11.488 620 HG21 THR 86 1HG2 THR 86 15.151 -8.708 10.118 621 HG22 THR 86 2HG2 THR 86 14.759 -10.304 10.758 622 HG23 THR 86 3HG2 THR 86 15.143 -8.982 11.859 623 H SER 87 H SER 87 13.174 -6.150 10.588 624 HA SER 87 HA SER 87 15.595 -5.078 11.795 625 HB2 SER 87 1HB SER 87 15.533 -3.529 9.794 626 HB3 SER 87 2HB SER 87 15.663 -5.245 9.409 627 HG SER 87 HG SER 87 14.005 -4.804 8.179 628 H ARG 88 H ARG 88 12.665 -3.510 10.500 629 HA ARG 88 HA ARG 88 12.333 -2.016 12.969 630 HB2 ARG 88 1HB ARG 88 13.955 -0.810 11.305 631 HB3 ARG 88 2HB ARG 88 12.475 -0.416 10.440 632 HG2 ARG 88 1HG ARG 88 11.632 0.838 12.245 633 HG3 ARG 88 2HG ARG 88 12.843 0.195 13.355 634 HD2 ARG 88 1HD ARG 88 13.375 2.484 12.698 635 HD3 ARG 88 2HD ARG 88 14.600 1.353 12.122 636 HE ARG 88 HE ARG 88 12.636 1.779 10.132 637 HH11 ARG 88 2HH1 ARG 88 15.347 3.320 11.679 638 HH12 ARG 88 1HH1 ARG 88 15.739 4.301 10.306 639 HH21 ARG 88 2HH2 ARG 88 13.142 3.066 8.318 640 HH22 ARG 88 1HH2 ARG 88 14.484 4.157 8.395 641 HA PRO 89 HA PRO 89 8.107 -2.597 11.853 642 HB2 PRO 89 1HB PRO 89 6.995 -0.809 13.567 643 HB3 PRO 89 2HB PRO 89 7.649 -2.365 14.092 644 HG2 PRO 89 1HG PRO 89 8.904 0.351 14.202 645 HG3 PRO 89 2HG PRO 89 8.896 -0.929 15.430 646 HD2 PRO 89 1HD PRO 89 11.018 -0.477 13.810 647 HD3 PRO 89 2HD PRO 89 10.599 -2.096 14.405 648 H ALA 90 H ALA 90 8.156 -1.764 9.722 649 HA ALA 90 HA ALA 90 7.038 0.939 9.507 650 HB1 ALA 90 1HB ALA 90 9.266 1.382 8.942 651 HB2 ALA 90 2HB ALA 90 9.426 -0.118 8.027 652 HB3 ALA 90 3HB ALA 90 8.445 1.203 7.391 653 H ILE 91 H ILE 91 5.742 1.293 7.646 654 HA ILE 91 HA ILE 91 4.455 -1.127 6.697 655 HB ILE 91 HB ILE 91 3.786 1.781 6.235 656 HG12 ILE 91 1HG1 ILE 91 2.456 -0.322 7.958 657 HG13 ILE 91 2HG1 ILE 91 3.475 0.985 8.553 658 HG21 ILE 91 1HG2 ILE 91 1.650 0.943 5.337 659 HG22 ILE 91 2HG2 ILE 91 3.032 0.462 4.354 660 HG23 ILE 91 3HG2 ILE 91 2.274 -0.703 5.440 661 HD11 ILE 91 1HD1 ILE 91 1.682 2.426 7.205 662 HD12 ILE 91 2HD1 ILE 91 0.682 1.032 7.613 663 HD13 ILE 91 3HD1 ILE 91 1.471 1.956 8.891 664 H VAL 92 H VAL 92 5.139 -2.126 4.931 665 HA VAL 92 HA VAL 92 6.754 -0.727 2.967 666 HB VAL 92 HB VAL 92 5.899 -3.624 3.032 667 HG11 VAL 92 1HG1 VAL 92 7.122 -2.067 0.998 668 HG12 VAL 92 2HG1 VAL 92 8.326 -3.193 1.627 669 HG13 VAL 92 3HG1 VAL 92 6.789 -3.798 1.008 670 HG21 VAL 92 1HG2 VAL 92 8.039 -2.142 4.394 671 HG22 VAL 92 2HG2 VAL 92 7.288 -3.685 4.802 672 HG23 VAL 92 3HG2 VAL 92 8.555 -3.617 3.577 673 H PHE 93 H PHE 93 5.605 0.515 1.607 674 HA PHE 93 HA PHE 93 3.102 -0.517 0.492 675 HB2 PHE 93 1HB PHE 93 4.335 2.225 0.618 676 HB3 PHE 93 2HB PHE 93 3.000 1.873 -0.474 677 HD1 PHE 93 2HD PHE 93 0.928 0.716 0.651 678 HD2 PHE 93 1HD PHE 93 3.865 2.985 2.733 679 HE1 PHE 93 2HE PHE 93 -0.671 1.100 2.481 680 HE2 PHE 93 1HE PHE 93 2.272 3.373 4.567 681 HZ PHE 93 HZ PHE 93 0.000 2.430 4.442 682 H ARG 94 H ARG 94 2.766 0.266 -1.891 683 HA ARG 94 HA ARG 94 5.169 0.081 -3.509 684 HB2 ARG 94 1HB ARG 94 3.166 -2.107 -3.262 685 HB3 ARG 94 2HB ARG 94 3.799 -1.763 -4.866 686 HG2 ARG 94 1HG ARG 94 6.110 -1.878 -3.602 687 HG3 ARG 94 2HG ARG 94 5.173 -2.863 -2.477 688 HD2 ARG 94 1HD ARG 94 4.734 -4.491 -4.072 689 HD3 ARG 94 2HD ARG 94 5.051 -3.397 -5.418 690 HE ARG 94 HE ARG 94 7.402 -3.783 -3.899 691 HH11 ARG 94 2HH1 ARG 94 5.318 -5.408 -6.166 692 HH12 ARG 94 1HH1 ARG 94 6.577 -6.418 -6.798 693 HH21 ARG 94 2HH2 ARG 94 9.066 -5.107 -4.722 694 HH22 ARG 94 1HH2 ARG 94 8.708 -6.247 -5.975 695 H ILE 95 H ILE 95 4.991 1.314 -5.273 696 HA ILE 95 HA ILE 95 2.307 1.954 -6.287 697 HB ILE 95 HB ILE 95 4.507 3.998 -5.982 698 HG12 ILE 95 1HG1 ILE 95 1.950 3.975 -4.403 699 HG13 ILE 95 2HG1 ILE 95 3.359 3.084 -3.838 700 HG21 ILE 95 1HG2 ILE 95 1.605 4.507 -6.551 701 HG22 ILE 95 2HG2 ILE 95 2.981 5.587 -6.773 702 HG23 ILE 95 3HG2 ILE 95 2.767 4.200 -7.842 703 HD11 ILE 95 1HD1 ILE 95 2.925 5.508 -3.018 704 HD12 ILE 95 2HD1 ILE 95 4.563 4.995 -3.423 705 HD13 ILE 95 3HD1 ILE 95 3.632 5.960 -4.568 706 H SER 96 H SER 96 2.112 1.955 -8.456 707 HA SER 96 HA SER 96 4.404 2.279 -10.183 708 HB2 SER 96 1HB SER 96 4.349 -0.177 -9.435 709 HB3 SER 96 2HB SER 96 2.886 -0.317 -10.410 710 HG SER 96 HG SER 96 4.878 -0.859 -11.517 711 H ALA 97 H ALA 97 3.755 2.122 -12.515 712 HA ALA 97 HA ALA 97 0.949 2.966 -12.846 713 HB1 ALA 97 1HB ALA 97 1.917 4.914 -13.430 714 HB2 ALA 97 2HB ALA 97 3.468 4.158 -13.794 715 HB3 ALA 97 3HB ALA 97 2.160 4.097 -14.974 716 H LYS 98 H LYS 98 -0.233 2.072 -14.466 717 HA LYS 98 HA LYS 98 1.027 -0.136 -15.931 718 HB2 LYS 98 1HB LYS 98 -0.982 -0.579 -14.485 719 HB3 LYS 98 2HB LYS 98 -1.922 0.424 -15.582 720 HG2 LYS 98 1HG LYS 98 -1.045 -1.189 -17.410 721 HG3 LYS 98 2HG LYS 98 -0.705 -2.263 -16.051 722 HD2 LYS 98 1HD LYS 98 -2.993 -2.311 -15.409 723 HD3 LYS 98 2HD LYS 98 -3.397 -0.992 -16.510 724 HE2 LYS 98 1HE LYS 98 -3.038 -2.377 -18.417 725 HE3 LYS 98 2HE LYS 98 -2.340 -3.659 -17.428 726 HZ1 LYS 98 1HZ LYS 98 -5.068 -2.810 -16.813 727 HZ2 LYS 98 2HZ LYS 98 -4.368 -4.347 -16.723 728 HZ3 LYS 98 3HZ LYS 98 -4.836 -3.718 -18.222 729 H ASN 99 H ASN 99 1.585 0.231 -17.966 730 HA ASN 99 HA ASN 99 0.099 2.260 -19.495 731 HB2 ASN 99 1HB ASN 99 2.549 2.654 -19.135 732 HB3 ASN 99 2HB ASN 99 2.870 1.192 -20.062 733 HD21 ASN 99 1HD2 ASN 99 3.954 2.223 -21.693 734 HD22 ASN 99 2HD2 ASN 99 3.178 3.275 -22.823 735 H GLU 100 H GLU 100 0.226 1.808 -21.952 736 HA GLU 100 HA GLU 100 -1.396 -0.206 -22.689 737 HB2 GLU 100 1HB GLU 100 0.842 1.132 -24.162 738 HB3 GLU 100 2HB GLU 100 -0.033 -0.186 -24.928 739 HG2 GLU 100 1HG GLU 100 -1.229 2.375 -23.896 740 HG3 GLU 100 2HG GLU 100 -0.946 1.958 -25.585 741 H LYS 101 H LYS 101 2.065 -0.475 -22.147 742 HA LYS 101 HA LYS 101 2.237 -3.184 -23.080 743 HB2 LYS 101 1HB LYS 101 4.103 -1.313 -21.658 744 HB3 LYS 101 2HB LYS 101 4.500 -3.020 -21.798 745 HG2 LYS 101 1HG LYS 101 5.582 -2.027 -23.603 746 HG3 LYS 101 2HG LYS 101 4.119 -2.720 -24.307 747 HD2 LYS 101 1HD LYS 101 3.034 -0.515 -24.173 748 HD3 LYS 101 2HD LYS 101 4.523 0.165 -23.514 749 HE2 LYS 101 1HE LYS 101 5.652 -0.026 -25.520 750 HE3 LYS 101 2HE LYS 101 4.593 -1.305 -26.113 751 HZ1 LYS 101 1HZ LYS 101 3.116 1.068 -25.673 752 HZ2 LYS 101 2HZ LYS 101 3.323 0.195 -27.106 753 HZ3 LYS 101 3HZ LYS 101 4.436 1.395 -26.680 754 H GLY 102 H GLY 102 2.693 -1.752 -19.836 755 HA2 GLY 102 1HA GLY 102 0.970 -3.460 -18.470 756 HA3 GLY 102 2HA GLY 102 2.545 -4.240 -18.490 757 H TYR 103 H TYR 103 2.257 -3.992 -16.116 758 HA TYR 103 HA TYR 103 2.441 -1.362 -14.986 759 HB2 TYR 103 1HB TYR 103 2.444 -4.152 -13.928 760 HB3 TYR 103 2HB TYR 103 3.087 -2.875 -12.902 761 HD1 TYR 103 2HD TYR 103 1.578 -0.854 -12.445 762 HD2 TYR 103 1HD TYR 103 0.137 -4.515 -14.064 763 HE1 TYR 103 2HE TYR 103 -0.705 -0.255 -11.752 764 HE2 TYR 103 1HE TYR 103 -2.150 -3.926 -13.377 765 HH TYR 103 HH TYR 103 -3.252 -1.181 -12.817 766 H GLY 104 H GLY 104 4.208 -0.219 -14.473 767 HA2 GLY 104 1HA GLY 104 6.786 -1.211 -15.328 768 HA3 GLY 104 2HA GLY 104 6.435 0.399 -14.719 769 HA PRO 105 HA PRO 105 8.892 -1.740 -11.466 770 HB2 PRO 105 1HB PRO 105 10.358 0.453 -10.826 771 HB3 PRO 105 2HB PRO 105 10.792 -0.641 -12.145 772 HG2 PRO 105 1HG PRO 105 9.382 1.997 -12.259 773 HG3 PRO 105 2HG PRO 105 10.664 1.367 -13.310 774 HD2 PRO 105 1HD PRO 105 8.053 1.349 -14.025 775 HD3 PRO 105 2HD PRO 105 9.196 0.095 -14.550 776 H ALA 106 H ALA 106 8.177 -1.867 -9.432 777 HA ALA 106 HA ALA 106 6.387 0.211 -8.435 778 HB1 ALA 106 1HB ALA 106 6.079 -1.529 -6.556 779 HB2 ALA 106 2HB ALA 106 5.416 -1.880 -8.152 780 HB3 ALA 106 3HB ALA 106 6.931 -2.625 -7.643 781 H THR 107 H THR 107 7.051 1.725 -7.073 782 HA THR 107 HA THR 107 9.698 1.646 -5.950 783 HB THR 107 HB THR 107 7.474 3.672 -5.662 784 HG1 THR 107 1HG THR 107 8.248 4.300 -7.521 785 HG21 THR 107 1HG2 THR 107 9.585 5.084 -4.943 786 HG22 THR 107 2HG2 THR 107 10.185 3.505 -4.433 787 HG23 THR 107 3HG2 THR 107 8.680 4.136 -3.763 788 H GLN 108 H GLN 108 10.287 1.100 -3.939 789 HA GLN 108 HA GLN 108 8.193 0.215 -2.099 790 HB2 GLN 108 1HB GLN 108 10.099 -1.305 -2.728 791 HB3 GLN 108 2HB GLN 108 11.173 -0.211 -1.866 792 HG2 GLN 108 1HG GLN 108 10.095 -0.670 0.210 793 HG3 GLN 108 2HG GLN 108 8.819 -1.582 -0.595 794 HE21 GLN 108 1HE2 GLN 108 12.135 -1.587 0.439 795 HE22 GLN 108 2HE2 GLN 108 12.405 -3.282 0.247 796 H ILE 109 H ILE 109 7.594 1.461 -0.465 797 HA ILE 109 HA ILE 109 9.543 3.374 0.640 798 HB ILE 109 HB ILE 109 7.906 4.608 -0.674 799 HG12 ILE 109 1HG1 ILE 109 7.187 5.015 2.224 800 HG13 ILE 109 2HG1 ILE 109 8.782 5.421 1.600 801 HG21 ILE 109 1HG2 ILE 109 6.135 2.713 -0.134 802 HG22 ILE 109 2HG2 ILE 109 5.673 3.853 1.129 803 HG23 ILE 109 3HG2 ILE 109 5.644 4.352 -0.562 804 HD11 ILE 109 1HD1 ILE 109 6.575 7.064 1.656 805 HD12 ILE 109 2HD1 ILE 109 8.047 7.320 0.719 806 HD13 ILE 109 3HD1 ILE 109 6.655 6.531 -0.023 807 H ARG 110 H ARG 110 9.772 3.371 2.797 808 HA ARG 110 HA ARG 110 7.957 1.647 4.345 809 HB2 ARG 110 1HB ARG 110 10.815 2.452 4.923 810 HB3 ARG 110 2HB ARG 110 9.821 1.431 5.954 811 HG2 ARG 110 1HG ARG 110 9.941 -0.364 4.531 812 HG3 ARG 110 2HG ARG 110 10.244 0.643 3.114 813 HD2 ARG 110 1HD ARG 110 12.312 -0.326 3.486 814 HD3 ARG 110 2HD ARG 110 12.467 1.224 4.312 815 HE ARG 110 HE ARG 110 11.549 -0.587 6.192 816 HH11 ARG 110 2HH1 ARG 110 14.357 -0.177 4.176 817 HH12 ARG 110 1HH1 ARG 110 15.430 -0.967 5.284 818 HH21 ARG 110 2HH2 ARG 110 12.951 -1.629 7.659 819 HH22 ARG 110 1HH2 ARG 110 14.629 -1.793 7.264 820 H TRP 111 H TRP 111 6.527 2.720 5.524 821 HA TRP 111 HA TRP 111 7.208 5.406 6.498 822 HB2 TRP 111 1HB TRP 111 5.161 5.173 5.108 823 HB3 TRP 111 2HB TRP 111 4.492 4.084 6.320 824 HD1 TRP 111 HD TRP 111 5.973 7.687 6.383 825 HE1 TRP 111 1HE TRP 111 4.463 9.126 7.891 826 HE3 TRP 111 3HE TRP 111 2.578 4.124 7.769 827 HZ2 TRP 111 2HZ TRP 111 2.140 8.794 9.461 828 HZ3 TRP 111 3HZ TRP 111 0.743 4.767 9.277 829 HH2 TRP 111 HH TRP 111 0.531 7.054 10.104 830 H LEU 112 H LEU 112 8.182 5.205 8.433 831 HA LEU 112 HA LEU 112 7.783 3.189 10.313 832 HB2 LEU 112 1HB LEU 112 8.840 5.982 10.474 833 HB3 LEU 112 2HB LEU 112 8.637 5.027 11.942 834 HG LEU 112 HG LEU 112 10.284 4.078 9.609 835 HD11 LEU 112 1HD1 LEU 112 10.966 5.975 11.795 836 HD12 LEU 112 2HD1 LEU 112 11.514 5.935 10.120 837 HD13 LEU 112 3HD1 LEU 112 12.175 4.794 11.292 838 HD21 LEU 112 1HD2 LEU 112 9.800 3.199 12.416 839 HD22 LEU 112 2HD2 LEU 112 11.374 2.895 11.679 840 HD23 LEU 112 3HD2 LEU 112 9.911 2.244 10.937 841 H GLN 113 H GLN 113 5.928 2.675 11.262 842 HA GLN 113 HA GLN 113 3.744 4.448 11.558 843 HB2 GLN 113 1HB GLN 113 4.377 1.676 12.436 844 HB3 GLN 113 2HB GLN 113 3.068 2.512 13.262 845 HG2 GLN 113 1HG GLN 113 3.149 2.410 10.278 846 HG3 GLN 113 2HG GLN 113 2.545 1.039 11.207 847 HE21 GLN 113 1HE2 GLN 113 0.420 1.044 11.144 848 HE22 GLN 113 2HE2 GLN 113 -0.603 2.421 11.350 849 H GLY 114 H GLY 114 3.707 6.128 12.897 850 HA2 GLY 114 1HA GLY 114 3.911 5.855 15.691 851 HA3 GLY 114 2HA GLY 114 5.424 6.506 15.080 852 H ASN 115 H ASN 115 2.926 7.523 16.653 853 HA ASN 115 HA ASN 115 2.563 9.980 15.067 854 HB2 ASN 115 1HB ASN 115 0.527 8.489 15.601 855 HB3 ASN 115 2HB ASN 115 0.695 9.082 17.251 856 HD21 ASN 115 1HD2 ASN 115 -1.494 9.878 16.795 857 HD22 ASN 115 2HD2 ASN 115 -1.663 11.424 16.042 858 H SER 116 H SER 116 3.862 11.519 15.821 859 HA SER 116 HA SER 116 4.773 11.570 18.542 860 HB2 SER 116 1HB SER 116 5.201 13.322 16.137 861 HB3 SER 116 2HB SER 116 5.732 13.852 17.734 862 HG SER 116 HG SER 116 7.081 12.365 16.140 863 H LYS 117 H LYS 117 2.587 13.547 16.572 864 HA LYS 117 HA LYS 117 1.412 14.581 19.061 865 HB2 LYS 117 1HB LYS 117 2.897 16.291 18.010 866 HB3 LYS 117 2HB LYS 117 1.885 16.233 16.573 867 HG2 LYS 117 1HG LYS 117 0.084 17.237 17.648 868 HG3 LYS 117 2HG LYS 117 0.713 16.862 19.255 869 HD2 LYS 117 1HD LYS 117 1.163 19.127 19.060 870 HD3 LYS 117 2HD LYS 117 2.690 18.396 18.559 871 HE2 LYS 117 1HE LYS 117 2.049 18.653 16.217 872 HE3 LYS 117 2HE LYS 117 0.510 19.358 16.708 873 HZ1 LYS 117 1HZ LYS 117 2.283 20.979 16.057 874 HZ2 LYS 117 2HZ LYS 117 3.128 20.530 17.451 875 HZ3 LYS 117 3HZ LYS 117 1.600 21.243 17.582 876 H SER 118 H SER 118 -0.770 14.599 19.126 877 HA SER 118 HA SER 118 -2.345 13.018 17.601 878 HB2 SER 118 1HB SER 118 -2.913 14.432 19.717 879 HB3 SER 118 2HB SER 118 -3.481 15.630 18.554 880 HG SER 118 HG SER 118 -5.225 14.382 18.970 881 H GLY 119 H GLY 119 -1.664 16.443 16.974 882 HA2 GLY 119 1HA GLY 119 -1.502 16.427 14.281 883 HA3 GLY 119 2HA GLY 119 -3.240 16.429 14.545 884 HA PRO 120 HA PRO 120 -1.139 20.738 15.042 885 HB2 PRO 120 1HB PRO 120 -1.180 21.649 12.485 886 HB3 PRO 120 2HB PRO 120 0.209 20.806 13.182 887 HG2 PRO 120 1HG PRO 120 -1.959 19.743 11.412 888 HG3 PRO 120 2HG PRO 120 -0.212 19.443 11.346 889 HD2 PRO 120 1HD PRO 120 -1.954 17.680 12.438 890 HD3 PRO 120 2HD PRO 120 -0.291 17.873 13.031 891 H SER 121 H SER 121 -2.865 21.677 15.982 892 HA SER 121 HA SER 121 -5.461 21.721 14.769 893 HB2 SER 121 1HB SER 121 -4.372 23.140 17.211 894 HB3 SER 121 2HB SER 121 -6.068 23.147 16.727 895 HG SER 121 HG SER 121 -5.427 21.514 18.318 896 H SER 122 H SER 122 -6.671 23.848 14.596 897 HA SER 122 HA SER 122 -5.130 25.600 12.867 898 HB2 SER 122 1HB SER 122 -8.076 25.400 13.505 899 HB3 SER 122 2HB SER 122 -7.405 26.672 12.484 900 HG SER 122 HG SER 122 -7.750 25.208 10.991 901 H GLY 123 H GLY 123 -3.828 26.814 14.209 902 HA2 GLY 123 1HA GLY 123 -5.062 28.304 16.398 903 HA3 GLY 123 2HA GLY 123 -3.342 28.200 16.052 Start of MODEL 7 1 H1 GLY 1 H GLY 1 4.730 -5.023 -31.849 2 HA2 GLY 1 1HA GLY 1 3.056 -2.621 -31.625 3 HA3 GLY 1 2HA GLY 1 3.259 -3.637 -30.206 4 H SER 2 H SER 2 4.973 -3.304 -28.925 5 HA SER 2 HA SER 2 7.151 -1.612 -29.962 6 HB2 SER 2 1HB SER 2 6.053 -1.520 -27.144 7 HB3 SER 2 2HB SER 2 7.280 -0.462 -27.840 8 HG SER 2 HG SER 2 4.711 -0.645 -28.984 9 H SER 3 H SER 3 9.220 -1.904 -28.947 10 HA SER 3 HA SER 3 9.543 -4.362 -27.389 11 HB2 SER 3 1HB SER 3 9.904 -5.102 -29.660 12 HB3 SER 3 2HB SER 3 10.991 -3.750 -29.975 13 HG SER 3 HG SER 3 11.745 -6.062 -29.233 14 H GLY 4 H GLY 4 10.451 -3.630 -25.576 15 HA2 GLY 4 1HA GLY 4 13.071 -2.614 -25.518 16 HA3 GLY 4 2HA GLY 4 11.954 -1.271 -25.332 17 H SER 5 H SER 5 13.744 -1.864 -23.343 18 HA SER 5 HA SER 5 12.071 -3.130 -21.274 19 HB2 SER 5 1HB SER 5 14.197 -3.500 -20.030 20 HB3 SER 5 2HB SER 5 14.159 -4.331 -21.584 21 HG SER 5 HG SER 5 15.912 -2.517 -20.705 22 H SER 6 H SER 6 11.609 -0.478 -22.023 23 HA SER 6 HA SER 6 12.672 1.016 -19.716 24 HB2 SER 6 1HB SER 6 11.671 2.115 -22.355 25 HB3 SER 6 2HB SER 6 12.303 3.068 -21.013 26 HG SER 6 HG SER 6 14.063 2.806 -22.207 27 H GLY 7 H GLY 7 11.093 0.518 -18.230 28 HA2 GLY 7 1HA GLY 7 8.327 0.454 -18.741 29 HA3 GLY 7 2HA GLY 7 9.067 0.652 -17.160 30 HA PRO 8 HA PRO 8 6.821 4.566 -18.515 31 HB2 PRO 8 1HB PRO 8 4.968 4.566 -16.531 32 HB3 PRO 8 2HB PRO 8 4.713 3.760 -18.083 33 HG2 PRO 8 1HG PRO 8 5.555 2.593 -15.459 34 HG3 PRO 8 2HG PRO 8 4.387 1.968 -16.638 35 HD2 PRO 8 1HD PRO 8 6.918 1.025 -16.454 36 HD3 PRO 8 2HD PRO 8 6.033 1.091 -17.992 37 H GLY 9 H GLY 9 8.512 3.320 -15.863 38 HA2 GLY 9 1HA GLY 9 9.996 4.510 -14.504 39 HA3 GLY 9 2HA GLY 9 9.215 6.005 -14.999 40 H ALA 10 H ALA 10 9.945 4.707 -12.326 41 HA ALA 10 HA ALA 10 7.459 4.238 -10.996 42 HB1 ALA 10 1HB ALA 10 8.730 3.542 -9.295 43 HB2 ALA 10 2HB ALA 10 10.083 3.716 -10.413 44 HB3 ALA 10 3HB ALA 10 9.694 5.019 -9.290 45 HA PRO 11 HA PRO 11 6.192 8.300 -9.919 46 HB2 PRO 11 1HB PRO 11 5.197 7.928 -7.420 47 HB3 PRO 11 2HB PRO 11 4.382 7.342 -8.876 48 HG2 PRO 11 1HG PRO 11 6.118 5.850 -6.947 49 HG3 PRO 11 2HG PRO 11 4.593 5.348 -7.699 50 HD2 PRO 11 1HD PRO 11 7.006 4.507 -8.596 51 HD3 PRO 11 2HD PRO 11 5.618 4.752 -9.676 52 H SER 12 H SER 12 6.794 10.147 -8.793 53 HA SER 12 HA SER 12 9.089 9.828 -6.970 54 HB2 SER 12 1HB SER 12 9.562 10.865 -9.243 55 HB3 SER 12 2HB SER 12 8.576 12.233 -8.726 56 HG SER 12 HG SER 12 10.639 12.751 -8.184 57 H THR 13 H THR 13 9.400 11.815 -5.547 58 HA THR 13 HA THR 13 8.623 12.956 -3.729 59 HB THR 13 HB THR 13 6.310 13.923 -5.369 60 HG1 THR 13 1HG THR 13 8.064 15.485 -6.159 61 HG21 THR 13 1HG2 THR 13 6.580 15.916 -4.186 62 HG22 THR 13 2HG2 THR 13 8.255 15.554 -3.770 63 HG23 THR 13 3HG2 THR 13 6.942 14.681 -2.981 64 H VAL 14 H VAL 14 7.886 10.413 -3.452 65 HA VAL 14 HA VAL 14 5.015 10.269 -2.975 66 HB VAL 14 HB VAL 14 7.172 8.185 -2.609 67 HG11 VAL 14 1HG1 VAL 14 4.185 7.795 -2.543 68 HG12 VAL 14 2HG1 VAL 14 5.436 6.595 -2.212 69 HG13 VAL 14 3HG1 VAL 14 5.188 7.943 -1.101 70 HG21 VAL 14 1HG2 VAL 14 6.538 9.003 -4.961 71 HG22 VAL 14 2HG2 VAL 14 6.520 7.266 -4.655 72 HG23 VAL 14 3HG2 VAL 14 5.007 8.172 -4.686 73 H ARG 15 H ARG 15 4.322 11.185 -1.151 74 HA ARG 15 HA ARG 15 5.834 10.657 1.323 75 HB2 ARG 15 1HB ARG 15 4.858 12.832 2.156 76 HB3 ARG 15 2HB ARG 15 6.065 12.983 0.886 77 HG2 ARG 15 1HG ARG 15 4.287 13.280 -0.766 78 HG3 ARG 15 2HG ARG 15 3.081 13.137 0.514 79 HD2 ARG 15 1HD ARG 15 4.522 15.076 1.590 80 HD3 ARG 15 2HD ARG 15 4.964 15.358 -0.094 81 HE ARG 15 HE ARG 15 2.151 15.111 0.197 82 HH11 ARG 15 2HH1 ARG 15 4.805 17.304 0.715 83 HH12 ARG 15 1HH1 ARG 15 3.829 18.727 0.568 84 HH21 ARG 15 2HH2 ARG 15 0.854 16.978 0.002 85 HH22 ARG 15 1HH2 ARG 15 1.581 18.541 0.163 86 H ILE 16 H ILE 16 4.572 10.474 3.267 87 HA ILE 16 HA ILE 16 1.773 9.694 2.765 88 HB ILE 16 HB ILE 16 3.746 8.405 4.653 89 HG12 ILE 16 1HG1 ILE 16 2.272 7.313 2.246 90 HG13 ILE 16 2HG1 ILE 16 3.976 7.751 2.284 91 HG21 ILE 16 1HG2 ILE 16 1.526 6.820 4.663 92 HG22 ILE 16 2HG2 ILE 16 1.939 7.996 5.910 93 HG23 ILE 16 3HG2 ILE 16 0.822 8.436 4.618 94 HD11 ILE 16 1HD1 ILE 16 3.615 5.975 4.406 95 HD12 ILE 16 2HD1 ILE 16 2.706 5.302 3.052 96 HD13 ILE 16 3HD1 ILE 16 4.421 5.669 2.867 97 H SER 17 H SER 17 0.352 10.895 3.824 98 HA SER 17 HA SER 17 1.225 12.279 6.273 99 HB2 SER 17 1HB SER 17 0.515 13.650 4.225 100 HB3 SER 17 2HB SER 17 -1.123 13.092 4.562 101 HG SER 17 HG SER 17 -1.063 14.862 5.755 102 H LYS 18 H LYS 18 -0.055 12.232 8.096 103 HA LYS 18 HA LYS 18 -1.826 9.969 8.318 104 HB2 LYS 18 1HB LYS 18 -0.239 10.540 10.115 105 HB3 LYS 18 2HB LYS 18 -1.074 12.068 10.362 106 HG2 LYS 18 1HG LYS 18 -1.975 10.783 12.030 107 HG3 LYS 18 2HG LYS 18 -3.157 10.548 10.741 108 HD2 LYS 18 1HD LYS 18 -2.819 8.376 11.402 109 HD3 LYS 18 2HD LYS 18 -1.604 8.516 10.130 110 HE2 LYS 18 1HE LYS 18 0.146 8.611 11.632 111 HE3 LYS 18 2HE LYS 18 -0.875 9.196 12.944 112 HZ1 LYS 18 1HZ LYS 18 -0.129 6.553 12.353 113 HZ2 LYS 18 2HZ LYS 18 -1.809 6.677 12.213 114 HZ3 LYS 18 3HZ LYS 18 -1.046 7.122 13.655 115 H ASN 19 H ASN 19 -3.897 10.067 7.781 116 HA ASN 19 HA ASN 19 -5.275 12.637 7.757 117 HB2 ASN 19 1HB ASN 19 -5.346 10.870 5.861 118 HB3 ASN 19 2HB ASN 19 -6.488 10.022 6.900 119 HD21 ASN 19 1HD2 ASN 19 -5.873 13.217 5.503 120 HD22 ASN 19 2HD2 ASN 19 -7.534 13.606 5.229 121 H VAL 20 H VAL 20 -7.518 12.739 8.588 122 HA VAL 20 HA VAL 20 -7.609 11.917 11.308 123 HB VAL 20 HB VAL 20 -10.042 12.767 11.113 124 HG11 VAL 20 1HG1 VAL 20 -7.880 13.971 11.907 125 HG12 VAL 20 2HG1 VAL 20 -8.032 14.858 10.390 126 HG13 VAL 20 3HG1 VAL 20 -9.332 14.916 11.581 127 HG21 VAL 20 1HG2 VAL 20 -9.669 12.553 8.472 128 HG22 VAL 20 2HG2 VAL 20 -10.787 13.713 9.191 129 HG23 VAL 20 3HG2 VAL 20 -9.177 14.232 8.693 130 H ASP 21 H ASP 21 -8.487 10.388 8.408 131 HA ASP 21 HA ASP 21 -10.377 8.595 9.758 132 HB2 ASP 21 1HB ASP 21 -9.714 8.881 6.819 133 HB3 ASP 21 2HB ASP 21 -10.920 7.785 7.488 134 H GLY 22 H GLY 22 -7.177 8.757 8.470 135 HA2 GLY 22 1HA GLY 22 -6.234 6.476 9.702 136 HA3 GLY 22 2HA GLY 22 -6.772 5.955 8.112 137 H ILE 23 H ILE 23 -5.480 6.284 6.388 138 HA ILE 23 HA ILE 23 -3.122 8.007 6.754 139 HB ILE 23 HB ILE 23 -3.120 5.294 5.426 140 HG12 ILE 23 1HG1 ILE 23 -1.652 6.129 7.928 141 HG13 ILE 23 2HG1 ILE 23 -3.240 5.369 7.970 142 HG21 ILE 23 1HG2 ILE 23 -0.508 6.117 5.873 143 HG22 ILE 23 2HG2 ILE 23 -1.349 6.070 4.325 144 HG23 ILE 23 3HG2 ILE 23 -1.327 7.558 5.271 145 HD11 ILE 23 1HD1 ILE 23 -1.328 3.821 8.332 146 HD12 ILE 23 2HD1 ILE 23 -2.386 3.373 6.993 147 HD13 ILE 23 3HD1 ILE 23 -0.828 4.134 6.671 148 H HIS 24 H HIS 24 -2.399 9.107 4.951 149 HA HIS 24 HA HIS 24 -4.127 8.928 2.570 150 HB2 HIS 24 1HB HIS 24 -4.268 11.036 4.051 151 HB3 HIS 24 2HB HIS 24 -2.681 11.433 3.400 152 HD1 HIS 24 1HD HIS 24 -3.144 13.291 1.816 153 HD2 HIS 24 2HD HIS 24 -5.811 10.139 1.353 154 HE1 HIS 24 1HE HIS 24 -4.533 13.875 -0.198 155 HE2 HIS 24 2HE HIS 24 -6.195 11.995 -0.407 156 H LEU 25 H LEU 25 -2.900 7.687 1.240 157 HA LEU 25 HA LEU 25 -0.059 8.188 0.954 158 HB2 LEU 25 1HB LEU 25 -1.407 5.920 0.844 159 HB3 LEU 25 2HB LEU 25 -1.553 6.359 -0.856 160 HG LEU 25 HG LEU 25 1.082 6.635 -0.608 161 HD11 LEU 25 1HD1 LEU 25 0.755 4.261 1.137 162 HD12 LEU 25 2HD1 LEU 25 0.638 5.852 1.889 163 HD13 LEU 25 3HD1 LEU 25 2.096 5.399 1.006 164 HD21 LEU 25 1HD2 LEU 25 -0.587 4.211 -1.151 165 HD22 LEU 25 2HD2 LEU 25 1.173 4.122 -1.227 166 HD23 LEU 25 3HD2 LEU 25 0.300 5.236 -2.280 167 H SER 26 H SER 26 0.739 9.635 -0.405 168 HA SER 26 HA SER 26 -0.728 10.206 -2.891 169 HB2 SER 26 1HB SER 26 0.726 12.330 -1.311 170 HB3 SER 26 2HB SER 26 -0.375 12.552 -2.671 171 HG SER 26 HG SER 26 -0.940 11.943 0.004 172 H TRP 27 H TRP 27 0.582 10.992 -4.641 173 HA TRP 27 HA TRP 27 3.451 10.946 -4.401 174 HB2 TRP 27 1HB TRP 27 3.785 9.116 -6.034 175 HB3 TRP 27 2HB TRP 27 3.032 8.554 -4.544 176 HD1 TRP 27 HD TRP 27 2.369 8.964 -8.266 177 HE1 TRP 27 1HE TRP 27 0.176 7.756 -8.863 178 HE3 TRP 27 3HE TRP 27 0.729 7.878 -3.547 179 HZ2 TRP 27 2HZ TRP 27 -1.966 6.508 -7.512 180 HZ3 TRP 27 3HZ TRP 27 -1.402 6.675 -3.286 181 HH2 TRP 27 HH TRP 27 -2.720 6.006 -5.229 182 H GLU 28 H GLU 28 4.358 10.921 -6.840 183 HA GLU 28 HA GLU 28 2.634 12.702 -8.428 184 HB2 GLU 28 1HB GLU 28 5.550 13.040 -7.746 185 HB3 GLU 28 2HB GLU 28 4.797 13.873 -9.098 186 HG2 GLU 28 1HG GLU 28 4.291 14.207 -6.170 187 HG3 GLU 28 2HG GLU 28 4.744 15.420 -7.365 188 HA PRO 29 HA PRO 29 3.508 10.118 -11.867 189 HB2 PRO 29 1HB PRO 29 3.406 11.913 -13.902 190 HB3 PRO 29 2HB PRO 29 1.968 11.361 -13.034 191 HG2 PRO 29 1HG PRO 29 3.542 13.883 -12.682 192 HG3 PRO 29 2HG PRO 29 1.784 13.656 -12.708 193 HD2 PRO 29 1HD PRO 29 3.182 13.934 -10.406 194 HD3 PRO 29 2HD PRO 29 1.717 12.938 -10.519 195 HA PRO 30 HA PRO 30 7.850 10.326 -12.647 196 HB2 PRO 30 1HB PRO 30 7.970 8.608 -14.747 197 HB3 PRO 30 2HB PRO 30 7.724 8.073 -13.080 198 HG2 PRO 30 1HG PRO 30 5.710 8.471 -15.259 199 HG3 PRO 30 2HG PRO 30 5.842 7.148 -14.086 200 HD2 PRO 30 1HD PRO 30 4.083 9.187 -13.793 201 HD3 PRO 30 2HD PRO 30 4.836 8.368 -12.409 202 H THR 31 H THR 31 8.761 12.069 -13.529 203 HA THR 31 HA THR 31 7.747 13.424 -15.798 204 HB THR 31 HB THR 31 8.999 14.651 -14.132 205 HG1 THR 31 1HG THR 31 10.494 15.694 -15.578 206 HG21 THR 31 1HG2 THR 31 10.524 12.872 -13.423 207 HG22 THR 31 2HG2 THR 31 11.413 14.337 -13.841 208 HG23 THR 31 3HG2 THR 31 11.373 12.978 -14.964 209 H SER 32 H SER 32 9.402 10.565 -15.622 210 HA SER 32 HA SER 32 11.237 10.804 -17.768 211 HB2 SER 32 1HB SER 32 11.588 8.511 -17.536 212 HB3 SER 32 2HB SER 32 11.031 8.964 -15.925 213 HG SER 32 HG SER 32 8.845 8.432 -17.048 214 HA PRO 33 HA PRO 33 8.558 10.730 -21.259 215 HB2 PRO 33 1HB PRO 33 10.300 9.780 -23.113 216 HB3 PRO 33 2HB PRO 33 10.377 11.428 -22.478 217 HG2 PRO 33 1HG PRO 33 11.983 9.023 -21.704 218 HG3 PRO 33 2HG PRO 33 12.521 10.693 -21.959 219 HD2 PRO 33 1HD PRO 33 12.098 9.660 -19.493 220 HD3 PRO 33 2HD PRO 33 11.819 11.371 -19.871 221 H SER 34 H SER 34 7.253 8.988 -20.280 222 HA SER 34 HA SER 34 7.898 6.264 -21.009 223 HB2 SER 34 1HB SER 34 5.681 5.760 -19.928 224 HB3 SER 34 2HB SER 34 6.834 6.580 -18.875 225 HG SER 34 HG SER 34 4.610 7.702 -20.226 226 H GLY 35 H GLY 35 5.404 8.657 -21.845 227 HA2 GLY 35 1HA GLY 35 4.809 8.847 -24.217 228 HA3 GLY 35 2HA GLY 35 4.893 7.093 -24.300 229 H ASN 36 H ASN 36 3.350 5.949 -22.749 230 HA ASN 36 HA ASN 36 0.777 7.385 -22.738 231 HB2 ASN 36 1HB ASN 36 1.413 4.515 -23.395 232 HB3 ASN 36 2HB ASN 36 -0.210 5.018 -22.932 233 HD21 ASN 36 1HD2 ASN 36 2.394 6.019 -25.126 234 HD22 ASN 36 2HD2 ASN 36 1.361 6.367 -26.466 235 H ILE 37 H ILE 37 0.283 7.908 -20.713 236 HA ILE 37 HA ILE 37 1.072 6.128 -18.526 237 HB ILE 37 HB ILE 37 0.157 8.993 -18.593 238 HG12 ILE 37 1HG1 ILE 37 2.555 8.440 -19.009 239 HG13 ILE 37 2HG1 ILE 37 2.304 9.435 -17.579 240 HG21 ILE 37 1HG2 ILE 37 -0.838 8.688 -16.622 241 HG22 ILE 37 2HG2 ILE 37 -0.196 7.054 -16.465 242 HG23 ILE 37 3HG2 ILE 37 0.776 8.435 -15.959 243 HD11 ILE 37 1HD1 ILE 37 3.209 6.621 -17.802 244 HD12 ILE 37 2HD1 ILE 37 3.788 7.923 -16.761 245 HD13 ILE 37 3HD1 ILE 37 2.280 7.093 -16.379 246 H LEU 38 H LEU 38 -0.368 4.597 -18.065 247 HA LEU 38 HA LEU 38 -3.215 5.095 -18.432 248 HB2 LEU 38 1HB LEU 38 -1.885 2.564 -17.493 249 HB3 LEU 38 2HB LEU 38 -3.519 2.748 -18.126 250 HG LEU 38 HG LEU 38 -0.997 3.132 -19.737 251 HD11 LEU 38 1HD1 LEU 38 -1.255 0.809 -19.042 252 HD12 LEU 38 2HD1 LEU 38 -1.555 0.993 -20.770 253 HD13 LEU 38 3HD1 LEU 38 -2.908 0.801 -19.655 254 HD21 LEU 38 1HD2 LEU 38 -2.949 2.690 -21.522 255 HD22 LEU 38 2HD2 LEU 38 -2.478 4.302 -20.981 256 HD23 LEU 38 3HD2 LEU 38 -3.879 3.505 -20.264 257 H GLU 39 H GLU 39 -4.688 4.170 -16.685 258 HA GLU 39 HA GLU 39 -4.623 5.650 -14.411 259 HB2 GLU 39 1HB GLU 39 -5.721 2.852 -14.724 260 HB3 GLU 39 2HB GLU 39 -6.088 3.916 -13.373 261 HG2 GLU 39 1HG GLU 39 -6.996 5.558 -15.025 262 HG3 GLU 39 2HG GLU 39 -6.798 4.321 -16.266 263 H TYR 40 H TYR 40 -4.142 5.183 -12.183 264 HA TYR 40 HA TYR 40 -1.685 3.611 -11.919 265 HB2 TYR 40 1HB TYR 40 -2.878 5.883 -10.360 266 HB3 TYR 40 2HB TYR 40 -1.648 4.855 -9.633 267 HD1 TYR 40 2HD TYR 40 -2.246 6.805 -12.766 268 HD2 TYR 40 1HD TYR 40 0.563 5.483 -9.856 269 HE1 TYR 40 2HE TYR 40 -0.494 8.140 -13.859 270 HE2 TYR 40 1HE TYR 40 2.323 6.816 -10.941 271 HH TYR 40 HH TYR 40 2.067 8.055 -14.000 272 H SER 41 H SER 41 -1.366 2.452 -9.829 273 HA SER 41 HA SER 41 -3.777 1.530 -8.502 274 HB2 SER 41 1HB SER 41 -3.437 0.077 -10.562 275 HB3 SER 41 2HB SER 41 -1.958 -0.505 -9.798 276 HG SER 41 HG SER 41 -3.379 -1.917 -9.050 277 H ALA 42 H ALA 42 -3.347 1.472 -6.407 278 HA ALA 42 HA ALA 42 -0.562 1.204 -5.532 279 HB1 ALA 42 1HB ALA 42 -1.738 3.185 -4.752 280 HB2 ALA 42 2HB ALA 42 -2.986 2.175 -4.023 281 HB3 ALA 42 3HB ALA 42 -1.338 2.127 -3.399 282 H TYR 43 H TYR 43 0.065 -0.281 -3.963 283 HA TYR 43 HA TYR 43 -1.906 -2.340 -3.242 284 HB2 TYR 43 1HB TYR 43 0.921 -2.898 -4.164 285 HB3 TYR 43 2HB TYR 43 -0.270 -4.097 -3.670 286 HD1 TYR 43 2HD TYR 43 0.060 -1.292 -6.123 287 HD2 TYR 43 1HD TYR 43 -1.411 -5.206 -5.337 288 HE1 TYR 43 2HE TYR 43 -0.731 -1.455 -8.445 289 HE2 TYR 43 1HE TYR 43 -2.206 -5.380 -7.658 290 HH TYR 43 HH TYR 43 -2.668 -4.168 -9.542 291 H LEU 44 H LEU 44 -1.166 -3.719 -1.420 292 HA LEU 44 HA LEU 44 0.769 -2.397 0.342 293 HB2 LEU 44 1HB LEU 44 -1.317 -1.525 1.082 294 HB3 LEU 44 2HB LEU 44 -2.071 -3.117 1.026 295 HG LEU 44 HG LEU 44 -0.620 -3.816 2.914 296 HD11 LEU 44 1HD1 LEU 44 0.947 -1.719 2.272 297 HD12 LEU 44 2HD1 LEU 44 0.951 -2.505 3.851 298 HD13 LEU 44 3HD1 LEU 44 0.021 -1.028 3.604 299 HD21 LEU 44 1HD2 LEU 44 -2.024 -1.362 3.836 300 HD22 LEU 44 2HD2 LEU 44 -2.059 -3.000 4.489 301 HD23 LEU 44 3HD2 LEU 44 -2.967 -2.614 3.027 302 H ALA 45 H ALA 45 2.090 -3.778 1.354 303 HA ALA 45 HA ALA 45 2.164 -6.497 0.713 304 HB1 ALA 45 1HB ALA 45 3.872 -4.739 1.920 305 HB2 ALA 45 2HB ALA 45 3.450 -5.819 3.249 306 HB3 ALA 45 3HB ALA 45 4.139 -6.476 1.765 307 H ILE 46 H ILE 46 0.867 -8.082 1.339 308 HA ILE 46 HA ILE 46 -0.242 -8.004 4.067 309 HB ILE 46 HB ILE 46 -2.277 -9.125 3.200 310 HG12 ILE 46 1HG1 ILE 46 -1.524 -8.255 0.436 311 HG13 ILE 46 2HG1 ILE 46 -0.939 -9.804 1.035 312 HG21 ILE 46 1HG2 ILE 46 -1.587 -6.402 2.121 313 HG22 ILE 46 2HG2 ILE 46 -3.212 -7.084 2.066 314 HG23 ILE 46 3HG2 ILE 46 -2.430 -6.794 3.619 315 HD11 ILE 46 1HD1 ILE 46 -2.987 -10.754 0.968 316 HD12 ILE 46 2HD1 ILE 46 -3.823 -9.249 1.348 317 HD13 ILE 46 3HD1 ILE 46 -3.226 -9.537 -0.285 318 H ARG 47 H ARG 47 -1.379 -10.372 4.341 319 HA ARG 47 HA ARG 47 0.803 -12.283 3.828 320 HB2 ARG 47 1HB ARG 47 0.050 -11.562 6.242 321 HB3 ARG 47 2HB ARG 47 -1.250 -12.713 5.961 322 HG2 ARG 47 1HG ARG 47 1.630 -13.462 5.592 323 HG3 ARG 47 2HG ARG 47 0.829 -13.552 7.162 324 HD2 ARG 47 1HD ARG 47 -0.871 -15.038 6.186 325 HD3 ARG 47 2HD ARG 47 -0.022 -14.973 4.642 326 HE ARG 47 HE ARG 47 1.800 -15.816 6.571 327 HH11 ARG 47 2HH1 ARG 47 -1.135 -16.940 5.073 328 HH12 ARG 47 1HH1 ARG 47 -0.742 -18.617 5.259 329 HH21 ARG 47 2HH2 ARG 47 2.329 -18.021 6.821 330 HH22 ARG 47 1HH2 ARG 47 1.228 -19.231 6.254 331 H THR 48 H THR 48 0.024 -12.988 1.824 332 HA THR 48 HA THR 48 -2.389 -13.625 0.897 333 HB THR 48 HB THR 48 -0.337 -14.129 -0.346 334 HG1 THR 48 1HG THR 48 -2.392 -15.180 -0.866 335 HG21 THR 48 1HG2 THR 48 0.309 -15.653 1.928 336 HG22 THR 48 2HG2 THR 48 1.262 -15.458 0.456 337 HG23 THR 48 3HG2 THR 48 0.127 -16.800 0.601 338 H ALA 49 H ALA 49 -4.102 -14.727 1.567 339 HA ALA 49 HA ALA 49 -4.260 -16.146 3.940 340 HB1 ALA 49 1HB ALA 49 -5.992 -15.668 1.652 341 HB2 ALA 49 2HB ALA 49 -6.285 -17.228 2.422 342 HB3 ALA 49 3HB ALA 49 -6.380 -15.744 3.371 343 H GLN 50 H GLN 50 -5.003 -18.499 4.091 344 HA GLN 50 HA GLN 50 -2.891 -20.149 3.130 345 HB2 GLN 50 1HB GLN 50 -4.261 -20.355 5.317 346 HB3 GLN 50 2HB GLN 50 -5.439 -21.202 4.323 347 HG2 GLN 50 1HG GLN 50 -2.564 -22.038 4.389 348 HG3 GLN 50 2HG GLN 50 -3.715 -22.585 5.608 349 HE21 GLN 50 1HE2 GLN 50 -5.151 -24.154 5.111 350 HE22 GLN 50 2HE2 GLN 50 -5.217 -24.960 3.584 351 H MET 51 H MET 51 -2.983 -20.124 0.877 352 HA MET 51 HA MET 51 -5.379 -21.264 -0.370 353 HB2 MET 51 1HB MET 51 -3.162 -19.521 -1.313 354 HB3 MET 51 2HB MET 51 -3.878 -20.619 -2.484 355 HG2 MET 51 1HG MET 51 -6.098 -19.667 -1.951 356 HG3 MET 51 2HG MET 51 -5.305 -18.505 -0.890 357 HE1 MET 51 1HE MET 51 -5.271 -19.103 -5.273 358 HE2 MET 51 2HE MET 51 -6.363 -19.704 -4.025 359 HE3 MET 51 3HE MET 51 -6.668 -18.142 -4.787 360 H GLN 52 H GLN 52 -1.838 -21.630 -0.405 361 HA GLN 52 HA GLN 52 -2.197 -24.498 -0.847 362 HB2 GLN 52 1HB GLN 52 -0.270 -24.382 -2.522 363 HB3 GLN 52 2HB GLN 52 -1.845 -23.829 -3.074 364 HG2 GLN 52 1HG GLN 52 -0.945 -21.493 -2.293 365 HG3 GLN 52 2HG GLN 52 0.622 -22.272 -2.506 366 HE21 GLN 52 1HE2 GLN 52 1.056 -20.789 -4.193 367 HE22 GLN 52 2HE2 GLN 52 0.375 -21.009 -5.765 368 H ASP 53 H ASP 53 -0.003 -25.640 -0.669 369 HA ASP 53 HA ASP 53 1.157 -24.888 1.833 370 HB2 ASP 53 1HB ASP 53 0.809 -27.258 1.006 371 HB3 ASP 53 2HB ASP 53 2.180 -26.999 -0.068 372 H ASN 54 H ASN 54 1.871 -22.730 1.067 373 HA ASN 54 HA ASN 54 4.665 -22.859 0.295 374 HB2 ASN 54 1HB ASN 54 2.611 -21.337 -1.321 375 HB3 ASN 54 2HB ASN 54 4.348 -21.073 -1.447 376 HD21 ASN 54 1HD2 ASN 54 5.508 -22.350 -2.739 377 HD22 ASN 54 2HD2 ASN 54 4.902 -23.742 -3.562 378 HA PRO 55 HA PRO 55 4.983 -19.576 3.199 379 HB2 PRO 55 1HB PRO 55 7.256 -18.376 2.324 380 HB3 PRO 55 2HB PRO 55 7.252 -19.937 3.153 381 HG2 PRO 55 1HG PRO 55 7.418 -19.349 0.223 382 HG3 PRO 55 2HG PRO 55 8.333 -20.528 1.181 383 HD2 PRO 55 1HD PRO 55 6.209 -21.226 -0.347 384 HD3 PRO 55 2HD PRO 55 6.613 -22.062 1.166 385 H SER 56 H SER 56 5.805 -17.076 3.033 386 HA SER 56 HA SER 56 4.153 -15.848 0.922 387 HB2 SER 56 1HB SER 56 4.356 -15.273 3.851 388 HB3 SER 56 2HB SER 56 4.010 -13.942 2.748 389 HG SER 56 HG SER 56 2.099 -14.943 3.503 390 H GLN 57 H GLN 57 5.011 -14.206 -0.237 391 HA GLN 57 HA GLN 57 7.706 -13.287 0.521 392 HB2 GLN 57 1HB GLN 57 6.601 -14.143 -2.125 393 HB3 GLN 57 2HB GLN 57 7.871 -12.927 -2.078 394 HG2 GLN 57 1HG GLN 57 9.236 -14.532 -0.729 395 HG3 GLN 57 2HG GLN 57 7.999 -15.747 -1.049 396 HE21 GLN 57 1HE2 GLN 57 7.425 -15.892 -3.461 397 HE22 GLN 57 2HE2 GLN 57 8.769 -15.949 -4.544 398 H LEU 58 H LEU 58 6.284 -11.649 1.654 399 HA LEU 58 HA LEU 58 5.151 -9.643 1.743 400 HB2 LEU 58 1HB LEU 58 7.583 -9.260 0.056 401 HB3 LEU 58 2HB LEU 58 6.488 -7.905 0.320 402 HG LEU 58 HG LEU 58 7.813 -9.451 2.543 403 HD11 LEU 58 1HD1 LEU 58 8.959 -6.978 2.529 404 HD12 LEU 58 2HD1 LEU 58 8.826 -7.328 0.806 405 HD13 LEU 58 3HD1 LEU 58 9.690 -8.440 1.867 406 HD21 LEU 58 1HD2 LEU 58 6.767 -8.079 3.985 407 HD22 LEU 58 2HD2 LEU 58 5.618 -7.870 2.663 408 HD23 LEU 58 3HD2 LEU 58 6.898 -6.683 2.915 409 H VAL 59 H VAL 59 3.733 -11.250 0.062 410 HA VAL 59 HA VAL 59 3.315 -10.271 -2.537 411 HB VAL 59 HB VAL 59 1.366 -11.684 -0.710 412 HG11 VAL 59 1HG1 VAL 59 0.331 -12.355 -2.937 413 HG12 VAL 59 2HG1 VAL 59 0.063 -10.695 -2.400 414 HG13 VAL 59 3HG1 VAL 59 1.268 -11.038 -3.643 415 HG21 VAL 59 1HG2 VAL 59 2.019 -13.657 -2.154 416 HG22 VAL 59 2HG2 VAL 59 3.363 -12.673 -2.733 417 HG23 VAL 59 3HG2 VAL 59 3.245 -13.086 -1.023 418 H PHE 60 H PHE 60 2.598 -8.348 -3.142 419 HA PHE 60 HA PHE 60 1.071 -6.709 -1.282 420 HB2 PHE 60 1HB PHE 60 2.014 -5.938 -4.043 421 HB3 PHE 60 2HB PHE 60 1.552 -4.867 -2.724 422 HD1 PHE 60 1HD PHE 60 4.146 -7.151 -3.972 423 HD2 PHE 60 2HD PHE 60 3.086 -4.304 -0.990 424 HE1 PHE 60 1HE PHE 60 6.495 -7.038 -3.249 425 HE2 PHE 60 2HE PHE 60 5.434 -4.186 -0.264 426 HZ PHE 60 HZ PHE 60 7.142 -5.553 -1.394 427 H MET 61 H MET 61 -0.999 -5.998 -1.610 428 HA MET 61 HA MET 61 -2.418 -7.092 -3.948 429 HB2 MET 61 1HB MET 61 -4.358 -7.525 -2.556 430 HB3 MET 61 2HB MET 61 -2.958 -8.363 -1.900 431 HG2 MET 61 1HG MET 61 -3.865 -7.499 0.004 432 HG3 MET 61 2HG MET 61 -2.736 -6.217 -0.428 433 HE1 MET 61 1HE MET 61 -5.582 -6.310 1.421 434 HE2 MET 61 2HE MET 61 -4.436 -4.971 1.481 435 HE3 MET 61 3HE MET 61 -6.138 -4.661 1.133 436 H ARG 62 H ARG 62 -3.919 -5.785 -4.926 437 HA ARG 62 HA ARG 62 -3.604 -3.035 -4.820 438 HB2 ARG 62 1HB ARG 62 -4.638 -4.288 -6.699 439 HB3 ARG 62 2HB ARG 62 -6.076 -4.525 -5.715 440 HG2 ARG 62 1HG ARG 62 -6.680 -2.290 -5.829 441 HG3 ARG 62 2HG ARG 62 -5.051 -1.772 -6.266 442 HD2 ARG 62 1HD ARG 62 -6.318 -1.595 -8.242 443 HD3 ARG 62 2HD ARG 62 -5.371 -3.071 -8.419 444 HE ARG 62 HE ARG 62 -7.884 -3.685 -7.304 445 HH11 ARG 62 2HH1 ARG 62 -6.422 -2.682 -10.300 446 HH12 ARG 62 1HH1 ARG 62 -7.641 -3.413 -11.291 447 HH21 ARG 62 2HH2 ARG 62 -9.495 -4.652 -8.598 448 HH22 ARG 62 1HH2 ARG 62 -9.389 -4.533 -10.322 449 H ILE 63 H ILE 63 -4.527 -1.394 -3.707 450 HA ILE 63 HA ILE 63 -6.620 -2.082 -1.752 451 HB ILE 63 HB ILE 63 -5.598 -0.371 -0.231 452 HG12 ILE 63 1HG1 ILE 63 -3.137 -0.684 -1.950 453 HG13 ILE 63 2HG1 ILE 63 -4.241 0.677 -2.116 454 HG21 ILE 63 1HG2 ILE 63 -3.857 -2.741 -0.898 455 HG22 ILE 63 2HG2 ILE 63 -3.884 -1.866 0.632 456 HG23 ILE 63 3HG2 ILE 63 -5.301 -2.779 0.113 457 HD11 ILE 63 1HD1 ILE 63 -3.476 0.309 0.633 458 HD12 ILE 63 2HD1 ILE 63 -2.062 0.475 -0.409 459 HD13 ILE 63 3HD1 ILE 63 -3.307 1.724 -0.407 460 H TYR 64 H TYR 64 -5.661 -0.135 -4.318 461 HA TYR 64 HA TYR 64 -8.051 1.473 -4.084 462 HB2 TYR 64 1HB TYR 64 -6.716 2.971 -2.871 463 HB3 TYR 64 2HB TYR 64 -5.296 2.653 -3.862 464 HD1 TYR 64 2HD TYR 64 -5.245 3.540 -6.225 465 HD2 TYR 64 1HD TYR 64 -8.202 4.723 -3.403 466 HE1 TYR 64 2HE TYR 64 -5.757 5.515 -7.598 467 HE2 TYR 64 1HE TYR 64 -8.723 6.701 -4.769 468 HH TYR 64 HH TYR 64 -8.507 7.492 -7.021 469 H CYS 65 H CYS 65 -8.832 2.104 -6.041 470 HA CYS 65 HA CYS 65 -7.128 1.610 -8.391 471 HB2 CYS 65 1HB CYS 65 -9.140 0.791 -9.581 472 HB3 CYS 65 2HB CYS 65 -8.718 -0.217 -8.202 473 HG CYS 65 HG CYS 65 -11.448 1.689 -8.707 474 H GLY 66 H GLY 66 -6.759 3.473 -9.389 475 HA2 GLY 66 1HA GLY 66 -8.764 5.089 -10.477 476 HA3 GLY 66 2HA GLY 66 -8.255 5.829 -8.966 477 H LEU 67 H LEU 67 -7.964 7.089 -11.439 478 HA LEU 67 HA LEU 67 -5.216 6.766 -12.293 479 HB2 LEU 67 1HB LEU 67 -5.725 8.546 -13.884 480 HB3 LEU 67 2HB LEU 67 -6.913 7.246 -13.951 481 HG LEU 67 HG LEU 67 -7.516 9.652 -12.297 482 HD11 LEU 67 1HD1 LEU 67 -7.504 11.078 -13.991 483 HD12 LEU 67 2HD1 LEU 67 -8.584 10.024 -14.903 484 HD13 LEU 67 3HD1 LEU 67 -6.837 9.828 -15.041 485 HD21 LEU 67 1HD2 LEU 67 -8.939 7.414 -13.573 486 HD22 LEU 67 2HD2 LEU 67 -9.755 8.976 -13.651 487 HD23 LEU 67 3HD2 LEU 67 -9.300 8.294 -12.088 488 H LYS 68 H LYS 68 -6.769 8.373 -9.818 489 HA LYS 68 HA LYS 68 -5.339 10.821 -9.753 490 HB2 LYS 68 1HB LYS 68 -7.483 10.217 -8.498 491 HB3 LYS 68 2HB LYS 68 -6.448 9.386 -7.345 492 HG2 LYS 68 1HG LYS 68 -5.513 11.347 -6.567 493 HG3 LYS 68 2HG LYS 68 -5.912 12.241 -8.036 494 HD2 LYS 68 1HD LYS 68 -8.344 11.953 -7.389 495 HD3 LYS 68 2HD LYS 68 -7.764 11.383 -5.822 496 HE2 LYS 68 1HE LYS 68 -6.365 13.611 -5.906 497 HE3 LYS 68 2HE LYS 68 -7.630 14.104 -7.031 498 HZ1 LYS 68 1HZ LYS 68 -8.617 14.739 -5.120 499 HZ2 LYS 68 2HZ LYS 68 -7.779 13.623 -4.164 500 HZ3 LYS 68 3HZ LYS 68 -9.112 13.121 -5.076 501 H THR 69 H THR 69 -3.567 11.435 -8.484 502 HA THR 69 HA THR 69 -1.652 9.293 -8.029 503 HB THR 69 HB THR 69 -0.035 11.154 -7.620 504 HG1 THR 69 1HG THR 69 -1.378 12.802 -6.937 505 HG21 THR 69 1HG2 THR 69 -0.223 10.217 -9.845 506 HG22 THR 69 2HG2 THR 69 -0.005 11.963 -9.963 507 HG23 THR 69 3HG2 THR 69 -1.603 11.256 -10.199 508 H SER 70 H SER 70 -3.856 9.407 -6.223 509 HA SER 70 HA SER 70 -2.436 9.331 -3.749 510 HB2 SER 70 1HB SER 70 -3.116 11.842 -4.263 511 HB3 SER 70 2HB SER 70 -4.680 11.302 -3.653 512 HG SER 70 HG SER 70 -3.779 11.736 -1.792 513 H CYS 71 H CYS 71 -3.734 8.507 -1.998 514 HA CYS 71 HA CYS 71 -6.452 7.697 -2.538 515 HB2 CYS 71 1HB CYS 71 -6.108 5.330 -2.423 516 HB3 CYS 71 2HB CYS 71 -5.028 5.957 -3.663 517 HG CYS 71 HG CYS 71 -3.326 4.249 -2.614 518 H THR 72 H THR 72 -7.259 6.272 -0.654 519 HA THR 72 HA THR 72 -6.008 7.201 1.848 520 HB THR 72 HB THR 72 -8.975 6.784 1.482 521 HG1 THR 72 1HG THR 72 -8.976 9.160 1.477 522 HG21 THR 72 1HG2 THR 72 -8.009 8.639 3.521 523 HG22 THR 72 2HG2 THR 72 -7.455 6.983 3.765 524 HG23 THR 72 3HG2 THR 72 -9.180 7.327 3.648 525 H VAL 73 H VAL 73 -5.560 5.684 3.322 526 HA VAL 73 HA VAL 73 -6.667 2.985 2.896 527 HB VAL 73 HB VAL 73 -4.001 3.751 4.094 528 HG11 VAL 73 1HG1 VAL 73 -3.829 1.706 4.950 529 HG12 VAL 73 2HG1 VAL 73 -5.546 1.490 4.606 530 HG13 VAL 73 3HG1 VAL 73 -4.337 0.962 3.434 531 HG21 VAL 73 1HG2 VAL 73 -3.425 3.870 1.928 532 HG22 VAL 73 2HG2 VAL 73 -3.493 2.108 1.979 533 HG23 VAL 73 3HG2 VAL 73 -4.879 3.028 1.393 534 H THR 74 H THR 74 -8.277 2.730 4.318 535 HA THR 74 HA THR 74 -8.365 4.004 6.863 536 HB THR 74 HB THR 74 -10.305 2.431 7.282 537 HG1 THR 74 1HG THR 74 -10.621 0.849 5.915 538 HG21 THR 74 1HG2 THR 74 -10.803 3.709 4.649 539 HG22 THR 74 2HG2 THR 74 -10.239 4.746 5.959 540 HG23 THR 74 3HG2 THR 74 -11.723 3.812 6.149 541 H ALA 75 H ALA 75 -8.834 2.598 8.872 542 HA ALA 75 HA ALA 75 -6.490 1.265 9.600 543 HB1 ALA 75 1HB ALA 75 -8.711 2.193 10.922 544 HB2 ALA 75 2HB ALA 75 -8.823 0.446 11.141 545 HB3 ALA 75 3HB ALA 75 -7.371 1.307 11.651 546 H GLY 76 H GLY 76 -9.676 -0.059 8.716 547 HA2 GLY 76 1HA GLY 76 -9.336 -2.723 9.118 548 HA3 GLY 76 2HA GLY 76 -10.196 -2.080 7.727 549 H GLN 77 H GLN 77 -8.150 -0.928 6.290 550 HA GLN 77 HA GLN 77 -7.052 -3.169 4.973 551 HB2 GLN 77 1HB GLN 77 -6.605 -0.207 4.763 552 HB3 GLN 77 2HB GLN 77 -5.618 -1.329 3.837 553 HG2 GLN 77 1HG GLN 77 -7.720 -2.274 2.885 554 HG3 GLN 77 2HG GLN 77 -8.600 -0.977 3.691 555 HE21 GLN 77 1HE2 GLN 77 -8.135 -1.682 0.816 556 HE22 GLN 77 2HE2 GLN 77 -7.555 -0.222 0.098 557 H LEU 78 H LEU 78 -5.690 -0.837 7.251 558 HA LEU 78 HA LEU 78 -3.012 -1.614 7.095 559 HB2 LEU 78 1HB LEU 78 -4.688 -0.337 9.212 560 HB3 LEU 78 2HB LEU 78 -3.036 -0.823 9.583 561 HG LEU 78 HG LEU 78 -3.624 0.962 7.247 562 HD11 LEU 78 1HD1 LEU 78 -3.676 1.637 10.138 563 HD12 LEU 78 2HD1 LEU 78 -4.579 2.334 8.794 564 HD13 LEU 78 3HD1 LEU 78 -2.886 2.763 9.034 565 HD21 LEU 78 1HD2 LEU 78 -1.366 1.551 7.401 566 HD22 LEU 78 2HD2 LEU 78 -1.381 -0.191 7.680 567 HD23 LEU 78 3HD2 LEU 78 -1.218 0.920 9.041 568 H ALA 79 H ALA 79 -5.729 -3.091 8.686 569 HA ALA 79 HA ALA 79 -4.390 -4.717 10.533 570 HB1 ALA 79 1HB ALA 79 -6.748 -5.931 9.292 571 HB2 ALA 79 2HB ALA 79 -6.426 -5.540 10.982 572 HB3 ALA 79 3HB ALA 79 -6.999 -4.288 9.881 573 H ASN 80 H ASN 80 -4.799 -4.996 7.089 574 HA ASN 80 HA ASN 80 -3.823 -7.744 7.071 575 HB2 ASN 80 1HB ASN 80 -4.513 -6.008 4.695 576 HB3 ASN 80 2HB ASN 80 -4.348 -7.761 4.728 577 HD21 ASN 80 1HD2 ASN 80 -6.548 -5.497 4.394 578 HD22 ASN 80 2HD2 ASN 80 -7.908 -6.225 5.171 579 H ALA 81 H ALA 81 -2.590 -4.608 6.951 580 HA ALA 81 HA ALA 81 -0.413 -4.957 5.174 581 HB1 ALA 81 1HB ALA 81 -1.476 -2.820 6.415 582 HB2 ALA 81 2HB ALA 81 -0.058 -3.092 7.429 583 HB3 ALA 81 3HB ALA 81 0.135 -2.831 5.696 584 H HIS 82 H HIS 82 1.481 -5.956 5.426 585 HA HIS 82 HA HIS 82 2.035 -7.294 7.941 586 HB2 HIS 82 1HB HIS 82 2.456 -8.756 6.202 587 HB3 HIS 82 2HB HIS 82 3.081 -7.491 5.149 588 HD1 HIS 82 1HD HIS 82 4.138 -10.138 7.424 589 HD2 HIS 82 2HD HIS 82 5.785 -6.660 5.857 590 HE1 HIS 82 1HE HIS 82 6.616 -10.337 7.804 591 HE2 HIS 82 2HE HIS 82 7.582 -8.184 6.925 592 H ILE 83 H ILE 83 3.688 -6.853 9.314 593 HA ILE 83 HA ILE 83 5.259 -4.432 8.734 594 HB ILE 83 HB ILE 83 4.495 -5.632 11.397 595 HG12 ILE 83 1HG1 ILE 83 3.729 -2.980 10.161 596 HG13 ILE 83 2HG1 ILE 83 2.703 -4.410 10.148 597 HG21 ILE 83 1HG2 ILE 83 6.524 -4.719 11.921 598 HG22 ILE 83 2HG2 ILE 83 6.436 -3.511 10.640 599 HG23 ILE 83 3HG2 ILE 83 5.494 -3.301 12.116 600 HD11 ILE 83 1HD1 ILE 83 3.154 -4.262 12.763 601 HD12 ILE 83 2HD1 ILE 83 3.351 -2.557 12.352 602 HD13 ILE 83 3HD1 ILE 83 1.844 -3.390 11.968 603 H ASP 84 H ASP 84 7.442 -4.480 8.813 604 HA ASP 84 HA ASP 84 8.706 -7.088 8.972 605 HB2 ASP 84 1HB ASP 84 9.386 -5.702 7.132 606 HB3 ASP 84 2HB ASP 84 9.748 -4.356 8.209 607 H TYR 85 H TYR 85 8.924 -7.735 11.050 608 HA TYR 85 HA TYR 85 10.041 -5.860 13.004 609 HB2 TYR 85 1HB TYR 85 8.607 -8.494 13.253 610 HB3 TYR 85 2HB TYR 85 9.502 -7.809 14.605 611 HD1 TYR 85 1HD TYR 85 8.924 -5.129 14.865 612 HD2 TYR 85 2HD TYR 85 6.338 -8.144 13.340 613 HE1 TYR 85 1HE TYR 85 6.976 -3.751 15.462 614 HE2 TYR 85 2HE TYR 85 4.383 -6.774 13.931 615 HH TYR 85 HH TYR 85 4.557 -3.542 14.667 616 H THR 86 H THR 86 11.719 -6.888 10.932 617 HA THR 86 HA THR 86 13.404 -8.873 12.257 618 HB THR 86 HB THR 86 14.683 -8.919 10.150 619 HG1 THR 86 1HG THR 86 14.044 -7.647 8.426 620 HG21 THR 86 1HG2 THR 86 12.618 -10.321 10.515 621 HG22 THR 86 2HG2 THR 86 13.051 -10.043 8.828 622 HG23 THR 86 3HG2 THR 86 11.734 -9.129 9.564 623 H SER 87 H SER 87 13.753 -5.656 10.760 624 HA SER 87 HA SER 87 16.083 -5.206 12.509 625 HB2 SER 87 1HB SER 87 15.593 -3.967 9.791 626 HB3 SER 87 2HB SER 87 17.031 -3.771 10.794 627 HG SER 87 HG SER 87 16.729 -5.544 8.967 628 H ARG 88 H ARG 88 13.353 -3.648 10.865 629 HA ARG 88 HA ARG 88 13.013 -1.881 13.149 630 HB2 ARG 88 1HB ARG 88 14.541 -0.837 11.293 631 HB3 ARG 88 2HB ARG 88 13.020 -0.603 10.441 632 HG2 ARG 88 1HG ARG 88 12.162 0.722 12.282 633 HG3 ARG 88 2HG ARG 88 13.646 0.441 13.195 634 HD2 ARG 88 1HD ARG 88 13.617 1.748 10.486 635 HD3 ARG 88 2HD ARG 88 13.468 2.660 11.988 636 HE ARG 88 HE ARG 88 15.746 0.932 11.974 637 HH11 ARG 88 2HH1 ARG 88 14.540 4.024 10.920 638 HH12 ARG 88 1HH1 ARG 88 16.107 4.758 10.852 639 HH21 ARG 88 2HH2 ARG 88 17.815 1.889 11.888 640 HH22 ARG 88 1HH2 ARG 88 17.970 3.543 11.402 641 HA PRO 89 HA PRO 89 8.827 -2.949 12.154 642 HB2 PRO 89 1HB PRO 89 7.643 -1.365 14.015 643 HB3 PRO 89 2HB PRO 89 8.445 -2.888 14.419 644 HG2 PRO 89 1HG PRO 89 9.474 -0.086 14.649 645 HG3 PRO 89 2HG PRO 89 9.624 -1.431 15.795 646 HD2 PRO 89 1HD PRO 89 11.631 -0.705 14.128 647 HD3 PRO 89 2HD PRO 89 11.374 -2.386 14.638 648 H ALA 90 H ALA 90 8.762 -1.975 10.071 649 HA ALA 90 HA ALA 90 7.321 0.572 10.052 650 HB1 ALA 90 1HB ALA 90 9.100 0.512 7.805 651 HB2 ALA 90 2HB ALA 90 8.933 1.734 9.066 652 HB3 ALA 90 3HB ALA 90 10.018 0.365 9.304 653 H ILE 91 H ILE 91 5.904 0.836 8.323 654 HA ILE 91 HA ILE 91 5.115 -1.638 7.031 655 HB ILE 91 HB ILE 91 3.862 1.105 7.085 656 HG12 ILE 91 1HG1 ILE 91 2.525 -1.371 8.063 657 HG13 ILE 91 2HG1 ILE 91 3.838 -0.716 9.036 658 HG21 ILE 91 1HG2 ILE 91 3.534 -0.927 5.131 659 HG22 ILE 91 2HG2 ILE 91 2.062 -0.853 6.099 660 HG23 ILE 91 3HG2 ILE 91 2.660 0.597 5.292 661 HD11 ILE 91 1HD1 ILE 91 2.051 0.339 9.973 662 HD12 ILE 91 2HD1 ILE 91 2.497 1.521 8.742 663 HD13 ILE 91 3HD1 ILE 91 1.155 0.413 8.456 664 H VAL 92 H VAL 92 5.336 -2.128 4.922 665 HA VAL 92 HA VAL 92 6.822 -0.221 3.256 666 HB VAL 92 HB VAL 92 6.448 -3.203 2.953 667 HG11 VAL 92 1HG1 VAL 92 6.598 -1.895 0.800 668 HG12 VAL 92 2HG1 VAL 92 8.225 -1.426 1.297 669 HG13 VAL 92 3HG1 VAL 92 7.837 -3.127 1.036 670 HG21 VAL 92 1HG2 VAL 92 8.723 -1.481 3.888 671 HG22 VAL 92 2HG2 VAL 92 7.973 -2.856 4.700 672 HG23 VAL 92 3HG2 VAL 92 8.984 -3.115 3.278 673 H PHE 93 H PHE 93 6.108 0.412 1.257 674 HA PHE 93 HA PHE 93 3.474 -0.562 0.390 675 HB2 PHE 93 1HB PHE 93 4.347 2.265 0.865 676 HB3 PHE 93 2HB PHE 93 3.154 1.922 -0.384 677 HD1 PHE 93 2HD PHE 93 1.120 0.478 0.362 678 HD2 PHE 93 1HD PHE 93 3.651 2.617 3.032 679 HE1 PHE 93 2HE PHE 93 -0.655 0.444 2.065 680 HE2 PHE 93 1HE PHE 93 1.881 2.586 4.741 681 HZ PHE 93 HZ PHE 93 -0.276 1.499 4.258 682 H ARG 94 H ARG 94 2.999 0.241 -1.911 683 HA ARG 94 HA ARG 94 5.399 0.527 -3.543 684 HB2 ARG 94 1HB ARG 94 3.653 -1.874 -3.467 685 HB3 ARG 94 2HB ARG 94 4.167 -1.317 -5.053 686 HG2 ARG 94 1HG ARG 94 6.533 -1.350 -4.128 687 HG3 ARG 94 2HG ARG 94 5.867 -2.255 -2.767 688 HD2 ARG 94 1HD ARG 94 6.856 -3.504 -4.846 689 HD3 ARG 94 2HD ARG 94 5.402 -4.102 -4.048 690 HE ARG 94 HE ARG 94 5.581 -2.887 -6.678 691 HH11 ARG 94 2HH1 ARG 94 3.545 -3.969 -4.069 692 HH12 ARG 94 1HH1 ARG 94 2.124 -4.088 -5.054 693 HH21 ARG 94 2HH2 ARG 94 3.717 -3.040 -7.985 694 HH22 ARG 94 1HH2 ARG 94 2.224 -3.560 -7.281 695 H ILE 95 H ILE 95 5.065 1.601 -5.449 696 HA ILE 95 HA ILE 95 2.340 2.120 -6.344 697 HB ILE 95 HB ILE 95 4.233 4.398 -5.760 698 HG12 ILE 95 1HG1 ILE 95 1.682 3.703 -4.298 699 HG13 ILE 95 2HG1 ILE 95 3.281 3.251 -3.720 700 HG21 ILE 95 1HG2 ILE 95 2.448 4.463 -7.660 701 HG22 ILE 95 2HG2 ILE 95 1.317 4.679 -6.326 702 HG23 ILE 95 3HG2 ILE 95 2.625 5.836 -6.569 703 HD11 ILE 95 1HD1 ILE 95 2.679 5.204 -2.559 704 HD12 ILE 95 2HD1 ILE 95 3.853 5.706 -3.777 705 HD13 ILE 95 3HD1 ILE 95 2.134 6.004 -4.033 706 H SER 96 H SER 96 2.238 2.022 -8.488 707 HA SER 96 HA SER 96 4.429 2.969 -10.134 708 HB2 SER 96 1HB SER 96 3.505 0.205 -10.778 709 HB3 SER 96 2HB SER 96 5.061 0.972 -11.092 710 HG SER 96 HG SER 96 4.967 -0.695 -9.380 711 H ALA 97 H ALA 97 3.834 2.570 -12.542 712 HA ALA 97 HA ALA 97 0.930 2.940 -12.881 713 HB1 ALA 97 1HB ALA 97 2.898 4.350 -14.638 714 HB2 ALA 97 2HB ALA 97 1.214 4.750 -14.297 715 HB3 ALA 97 3HB ALA 97 2.452 5.028 -13.072 716 H LYS 98 H LYS 98 0.021 2.177 -14.812 717 HA LYS 98 HA LYS 98 1.476 -0.035 -15.998 718 HB2 LYS 98 1HB LYS 98 -1.063 0.107 -15.267 719 HB3 LYS 98 2HB LYS 98 -1.263 0.753 -16.890 720 HG2 LYS 98 1HG LYS 98 -0.046 -1.311 -17.711 721 HG3 LYS 98 2HG LYS 98 -0.254 -1.955 -16.081 722 HD2 LYS 98 1HD LYS 98 -2.625 -0.868 -17.530 723 HD3 LYS 98 2HD LYS 98 -2.013 -2.467 -17.960 724 HE2 LYS 98 1HE LYS 98 -2.282 -3.228 -15.688 725 HE3 LYS 98 2HE LYS 98 -2.743 -1.610 -15.162 726 HZ1 LYS 98 1HZ LYS 98 -4.536 -2.052 -17.083 727 HZ2 LYS 98 2HZ LYS 98 -4.804 -2.413 -15.452 728 HZ3 LYS 98 3HZ LYS 98 -4.315 -3.632 -16.519 729 H ASN 99 H ASN 99 2.208 -0.157 -18.059 730 HA ASN 99 HA ASN 99 2.330 2.330 -19.558 731 HB2 ASN 99 1HB ASN 99 4.402 1.109 -19.319 732 HB3 ASN 99 2HB ASN 99 3.666 -0.351 -19.974 733 HD21 ASN 99 1HD2 ASN 99 5.975 1.333 -20.829 734 HD22 ASN 99 2HD2 ASN 99 5.666 1.694 -22.490 735 H GLU 100 H GLU 100 1.942 -1.007 -20.725 736 HA GLU 100 HA GLU 100 -0.362 -0.105 -22.319 737 HB2 GLU 100 1HB GLU 100 1.783 -0.314 -23.653 738 HB3 GLU 100 2HB GLU 100 1.724 -2.039 -23.323 739 HG2 GLU 100 1HG GLU 100 -0.612 -1.974 -24.352 740 HG3 GLU 100 2HG GLU 100 -0.159 -0.384 -24.961 741 H LYS 101 H LYS 101 1.409 -2.958 -21.146 742 HA LYS 101 HA LYS 101 -1.182 -4.335 -20.861 743 HB2 LYS 101 1HB LYS 101 1.483 -5.284 -21.790 744 HB3 LYS 101 2HB LYS 101 0.500 -6.405 -20.857 745 HG2 LYS 101 1HG LYS 101 -0.771 -4.985 -23.135 746 HG3 LYS 101 2HG LYS 101 0.359 -6.295 -23.482 747 HD2 LYS 101 1HD LYS 101 -1.615 -7.461 -23.349 748 HD3 LYS 101 2HD LYS 101 -1.061 -7.570 -21.676 749 HE2 LYS 101 1HE LYS 101 -2.613 -6.032 -20.926 750 HE3 LYS 101 2HE LYS 101 -2.796 -5.286 -22.513 751 HZ1 LYS 101 1HZ LYS 101 -4.297 -7.388 -21.345 752 HZ2 LYS 101 2HZ LYS 101 -3.621 -7.900 -22.808 753 HZ3 LYS 101 3HZ LYS 101 -4.601 -6.522 -22.767 754 H GLY 102 H GLY 102 1.844 -3.467 -19.364 755 HA2 GLY 102 1HA GLY 102 0.724 -4.184 -16.765 756 HA3 GLY 102 2HA GLY 102 2.232 -4.967 -17.214 757 H TYR 103 H TYR 103 2.731 -3.773 -15.094 758 HA TYR 103 HA TYR 103 3.407 -0.963 -15.564 759 HB2 TYR 103 1HB TYR 103 3.438 -2.607 -13.025 760 HB3 TYR 103 2HB TYR 103 3.860 -0.901 -13.123 761 HD1 TYR 103 1HD TYR 103 1.047 -3.061 -14.326 762 HD2 TYR 103 2HD TYR 103 2.226 0.515 -12.346 763 HE1 TYR 103 1HE TYR 103 -1.318 -2.466 -14.007 764 HE2 TYR 103 2HE TYR 103 -0.136 1.120 -12.020 765 HH TYR 103 HH TYR 103 -2.594 -0.118 -13.667 766 H GLY 104 H GLY 104 5.543 -0.350 -14.291 767 HA2 GLY 104 1HA GLY 104 7.628 -2.206 -15.259 768 HA3 GLY 104 2HA GLY 104 7.796 -0.457 -15.263 769 HA PRO 105 HA PRO 105 10.086 -1.235 -11.526 770 HB2 PRO 105 1HB PRO 105 10.756 1.357 -11.073 771 HB3 PRO 105 2HB PRO 105 11.565 0.353 -12.282 772 HG2 PRO 105 1HG PRO 105 9.398 2.386 -12.649 773 HG3 PRO 105 2HG PRO 105 10.853 2.112 -13.626 774 HD2 PRO 105 1HD PRO 105 8.411 1.203 -14.364 775 HD3 PRO 105 2HD PRO 105 9.911 0.340 -14.760 776 H ALA 106 H ALA 106 9.241 -1.519 -9.567 777 HA ALA 106 HA ALA 106 7.003 0.176 -8.721 778 HB1 ALA 106 1HB ALA 106 6.178 -1.882 -8.347 779 HB2 ALA 106 2HB ALA 106 7.777 -2.620 -8.248 780 HB3 ALA 106 3HB ALA 106 7.107 -1.776 -6.852 781 H THR 107 H THR 107 7.297 1.703 -7.246 782 HA THR 107 HA THR 107 9.830 2.071 -5.969 783 HB THR 107 HB THR 107 8.007 3.842 -6.705 784 HG1 THR 107 1HG THR 107 9.618 4.074 -4.363 785 HG21 THR 107 1HG2 THR 107 7.327 3.337 -3.805 786 HG22 THR 107 2HG2 THR 107 6.267 3.046 -5.184 787 HG23 THR 107 3HG2 THR 107 6.750 4.691 -4.775 788 H GLN 108 H GLN 108 10.263 2.103 -3.724 789 HA GLN 108 HA GLN 108 8.344 0.626 -2.053 790 HB2 GLN 108 1HB GLN 108 10.039 -0.962 -2.687 791 HB3 GLN 108 2HB GLN 108 11.321 0.168 -2.269 792 HG2 GLN 108 1HG GLN 108 10.849 -0.023 0.049 793 HG3 GLN 108 2HG GLN 108 9.362 -0.916 -0.266 794 HE21 GLN 108 1HE2 GLN 108 9.609 -3.025 -1.329 795 HE22 GLN 108 2HE2 GLN 108 10.991 -3.985 -0.938 796 H ILE 109 H ILE 109 7.700 1.987 -0.524 797 HA ILE 109 HA ILE 109 9.688 3.808 0.666 798 HB ILE 109 HB ILE 109 7.762 4.903 -0.486 799 HG12 ILE 109 1HG1 ILE 109 7.640 5.412 2.481 800 HG13 ILE 109 2HG1 ILE 109 9.057 5.838 1.527 801 HG21 ILE 109 1HG2 ILE 109 5.882 4.393 1.677 802 HG22 ILE 109 2HG2 ILE 109 5.630 4.388 -0.068 803 HG23 ILE 109 3HG2 ILE 109 6.261 2.951 0.736 804 HD11 ILE 109 1HD1 ILE 109 7.134 7.567 2.006 805 HD12 ILE 109 2HD1 ILE 109 7.996 7.547 0.467 806 HD13 ILE 109 3HD1 ILE 109 6.408 6.793 0.598 807 H ARG 110 H ARG 110 9.597 4.177 2.941 808 HA ARG 110 HA ARG 110 8.283 2.012 4.447 809 HB2 ARG 110 1HB ARG 110 11.008 3.239 4.887 810 HB3 ARG 110 2HB ARG 110 10.216 2.176 6.042 811 HG2 ARG 110 1HG ARG 110 10.540 0.315 4.769 812 HG3 ARG 110 2HG ARG 110 10.529 1.216 3.252 813 HD2 ARG 110 1HD ARG 110 12.756 0.360 3.737 814 HD3 ARG 110 2HD ARG 110 12.738 2.122 3.774 815 HE ARG 110 HE ARG 110 12.333 0.997 6.362 816 HH11 ARG 110 2HH1 ARG 110 14.762 1.762 3.988 817 HH12 ARG 110 1HH1 ARG 110 16.037 1.915 5.152 818 HH21 ARG 110 2HH2 ARG 110 14.003 1.194 7.903 819 HH22 ARG 110 1HH2 ARG 110 15.604 1.591 7.378 820 H TRP 111 H TRP 111 6.689 2.840 5.619 821 HA TRP 111 HA TRP 111 6.907 5.582 6.619 822 HB2 TRP 111 1HB TRP 111 4.862 4.720 5.339 823 HB3 TRP 111 2HB TRP 111 4.474 3.811 6.796 824 HD1 TRP 111 HD TRP 111 5.602 7.508 6.368 825 HE1 TRP 111 1HE TRP 111 3.905 8.995 7.607 826 HE3 TRP 111 3HE TRP 111 2.354 3.890 7.946 827 HZ2 TRP 111 2HZ TRP 111 1.507 8.676 9.062 828 HZ3 TRP 111 3HZ TRP 111 0.383 4.564 9.256 829 HH2 TRP 111 HH TRP 111 -0.029 6.908 9.802 830 H LEU 112 H LEU 112 8.394 5.136 8.310 831 HA LEU 112 HA LEU 112 8.057 3.197 10.296 832 HB2 LEU 112 1HB LEU 112 9.471 5.836 10.214 833 HB3 LEU 112 2HB LEU 112 9.417 4.887 11.698 834 HG LEU 112 HG LEU 112 10.447 3.693 9.148 835 HD11 LEU 112 1HD1 LEU 112 12.695 4.384 10.523 836 HD12 LEU 112 2HD1 LEU 112 11.677 5.804 10.756 837 HD13 LEU 112 3HD1 LEU 112 12.055 5.249 9.126 838 HD21 LEU 112 1HD2 LEU 112 11.579 2.191 10.603 839 HD22 LEU 112 2HD2 LEU 112 9.910 2.297 11.162 840 HD23 LEU 112 3HD2 LEU 112 11.184 3.165 12.019 841 H GLN 113 H GLN 113 6.032 3.036 11.151 842 HA GLN 113 HA GLN 113 4.527 5.303 12.023 843 HB2 GLN 113 1HB GLN 113 2.867 3.769 12.686 844 HB3 GLN 113 2HB GLN 113 3.607 3.050 11.262 845 HG2 GLN 113 1HG GLN 113 4.216 2.314 14.117 846 HG3 GLN 113 2HG GLN 113 3.192 1.401 13.010 847 HE21 GLN 113 1HE2 GLN 113 4.116 0.145 11.443 848 HE22 GLN 113 2HE2 GLN 113 5.813 -0.169 11.357 849 H GLY 114 H GLY 114 4.298 6.164 14.031 850 HA2 GLY 114 1HA GLY 114 4.684 5.187 16.500 851 HA3 GLY 114 2HA GLY 114 6.338 5.471 15.976 852 H ASN 115 H ASN 115 3.332 7.321 15.505 853 HA ASN 115 HA ASN 115 4.677 9.616 16.774 854 HB2 ASN 115 1HB ASN 115 2.553 9.832 14.642 855 HB3 ASN 115 2HB ASN 115 3.626 11.096 15.235 856 HD21 ASN 115 1HD2 ASN 115 3.057 9.456 12.611 857 HD22 ASN 115 2HD2 ASN 115 4.650 9.216 11.989 858 H SER 116 H SER 116 3.712 10.433 18.512 859 HA SER 116 HA SER 116 1.139 9.385 19.333 860 HB2 SER 116 1HB SER 116 3.052 9.625 20.928 861 HB3 SER 116 2HB SER 116 2.913 11.375 20.766 862 HG SER 116 HG SER 116 0.599 10.928 21.398 863 H LYS 117 H LYS 117 -0.615 10.294 18.482 864 HA LYS 117 HA LYS 117 -0.791 13.232 18.488 865 HB2 LYS 117 1HB LYS 117 -1.667 11.321 16.325 866 HB3 LYS 117 2HB LYS 117 -2.262 12.973 16.430 867 HG2 LYS 117 1HG LYS 117 0.677 12.489 16.412 868 HG3 LYS 117 2HG LYS 117 -0.230 12.376 14.902 869 HD2 LYS 117 1HD LYS 117 -0.515 14.751 16.712 870 HD3 LYS 117 2HD LYS 117 0.805 14.646 15.545 871 HE2 LYS 117 1HE LYS 117 -0.888 14.290 13.758 872 HE3 LYS 117 2HE LYS 117 -2.152 14.565 14.956 873 HZ1 LYS 117 1HZ LYS 117 -0.108 16.616 14.805 874 HZ2 LYS 117 2HZ LYS 117 -1.785 16.767 14.963 875 HZ3 LYS 117 3HZ LYS 117 -1.101 16.488 13.441 876 H SER 118 H SER 118 -2.086 13.526 20.220 877 HA SER 118 HA SER 118 -4.681 12.128 20.205 878 HB2 SER 118 1HB SER 118 -2.991 11.596 22.104 879 HB3 SER 118 2HB SER 118 -3.426 13.188 22.724 880 HG SER 118 HG SER 118 -5.703 12.220 22.321 881 H GLY 119 H GLY 119 -5.883 13.680 19.185 882 HA2 GLY 119 1HA GLY 119 -6.058 16.283 20.575 883 HA3 GLY 119 2HA GLY 119 -6.158 16.143 18.826 884 HA PRO 120 HA PRO 120 -10.464 16.169 20.571 885 HB2 PRO 120 1HB PRO 120 -11.409 18.049 18.856 886 HB3 PRO 120 2HB PRO 120 -10.624 18.453 20.387 887 HG2 PRO 120 1HG PRO 120 -9.484 18.442 17.619 888 HG3 PRO 120 2HG PRO 120 -9.270 19.636 18.913 889 HD2 PRO 120 1HD PRO 120 -7.408 17.752 18.346 890 HD3 PRO 120 2HD PRO 120 -7.673 18.369 19.990 891 H SER 121 H SER 121 -10.594 14.031 19.659 892 HA SER 121 HA SER 121 -11.994 14.019 17.088 893 HB2 SER 121 1HB SER 121 -9.598 13.405 16.693 894 HB3 SER 121 2HB SER 121 -9.821 12.025 17.768 895 HG SER 121 HG SER 121 -11.287 11.163 16.335 896 H SER 122 H SER 122 -13.763 12.770 17.086 897 HA SER 122 HA SER 122 -14.025 10.447 18.749 898 HB2 SER 122 1HB SER 122 -15.415 13.009 19.484 899 HB3 SER 122 2HB SER 122 -16.152 11.451 19.860 900 HG SER 122 HG SER 122 -14.151 10.935 20.951 901 H GLY 123 H GLY 123 -15.773 9.149 18.168 902 HA2 GLY 123 1HA GLY 123 -18.037 9.217 17.027 903 HA3 GLY 123 2HA GLY 123 -17.184 10.051 15.736 Start of MODEL 8 1 H1 GLY 1 H GLY 1 15.519 -7.494 -31.841 2 HA2 GLY 1 1HA GLY 1 13.491 -6.847 -30.906 3 HA3 GLY 1 2HA GLY 1 14.047 -7.944 -29.652 4 H SER 2 H SER 2 15.227 -7.044 -27.844 5 HA SER 2 HA SER 2 14.988 -4.158 -27.474 6 HB2 SER 2 1HB SER 2 13.470 -6.230 -25.957 7 HB3 SER 2 2HB SER 2 14.087 -4.840 -25.064 8 HG SER 2 HG SER 2 12.561 -4.610 -27.440 9 H SER 3 H SER 3 15.824 -3.696 -25.071 10 HA SER 3 HA SER 3 18.435 -5.027 -24.927 11 HB2 SER 3 1HB SER 3 18.019 -2.417 -25.097 12 HB3 SER 3 2HB SER 3 17.809 -2.564 -23.352 13 HG SER 3 HG SER 3 19.936 -2.284 -23.529 14 H GLY 4 H GLY 4 15.999 -3.683 -22.686 15 HA2 GLY 4 1HA GLY 4 16.558 -5.957 -20.892 16 HA3 GLY 4 2HA GLY 4 16.498 -4.317 -20.264 17 H SER 5 H SER 5 14.444 -3.137 -20.546 18 HA SER 5 HA SER 5 12.058 -4.609 -21.134 19 HB2 SER 5 1HB SER 5 12.418 -5.558 -18.949 20 HB3 SER 5 2HB SER 5 12.719 -3.966 -18.253 21 HG SER 5 HG SER 5 10.348 -5.228 -18.784 22 H SER 6 H SER 6 10.320 -3.280 -21.466 23 HA SER 6 HA SER 6 10.811 -0.403 -21.068 24 HB2 SER 6 1HB SER 6 9.324 -1.881 -23.238 25 HB3 SER 6 2HB SER 6 9.131 -0.148 -22.979 26 HG SER 6 HG SER 6 11.029 -1.373 -24.336 27 H GLY 7 H GLY 7 9.658 0.409 -19.450 28 HA2 GLY 7 1HA GLY 7 6.826 -0.341 -19.236 29 HA3 GLY 7 2HA GLY 7 7.845 -0.475 -17.811 30 HA PRO 8 HA PRO 8 5.953 3.837 -18.247 31 HB2 PRO 8 1HB PRO 8 4.331 3.714 -16.073 32 HB3 PRO 8 2HB PRO 8 3.811 3.221 -17.689 33 HG2 PRO 8 1HG PRO 8 4.752 1.531 -15.404 34 HG3 PRO 8 2HG PRO 8 3.395 1.258 -16.512 35 HD2 PRO 8 1HD PRO 8 5.781 0.008 -16.794 36 HD3 PRO 8 2HD PRO 8 4.759 0.439 -18.180 37 H GLY 9 H GLY 9 6.030 5.561 -16.537 38 HA2 GLY 9 1HA GLY 9 8.476 5.243 -15.009 39 HA3 GLY 9 2HA GLY 9 7.573 6.733 -15.239 40 H ALA 10 H ALA 10 8.674 5.059 -12.860 41 HA ALA 10 HA ALA 10 6.340 4.474 -11.299 42 HB1 ALA 10 1HB ALA 10 8.857 3.589 -11.163 43 HB2 ALA 10 2HB ALA 10 8.942 4.866 -9.948 44 HB3 ALA 10 3HB ALA 10 7.759 3.568 -9.783 45 HA PRO 11 HA PRO 11 5.512 8.431 -9.578 46 HB2 PRO 11 1HB PRO 11 4.500 7.711 -7.164 47 HB3 PRO 11 2HB PRO 11 3.616 7.495 -8.679 48 HG2 PRO 11 1HG PRO 11 5.192 5.496 -7.103 49 HG3 PRO 11 2HG PRO 11 3.616 5.306 -7.893 50 HD2 PRO 11 1HD PRO 11 5.916 4.395 -8.993 51 HD3 PRO 11 2HD PRO 11 4.556 4.981 -9.972 52 H SER 12 H SER 12 6.841 9.895 -8.726 53 HA SER 12 HA SER 12 8.758 9.025 -6.668 54 HB2 SER 12 1HB SER 12 9.866 9.769 -8.697 55 HB3 SER 12 2HB SER 12 8.951 11.277 -8.683 56 HG SER 12 HG SER 12 10.091 11.964 -6.946 57 H THR 13 H THR 13 9.503 10.911 -5.243 58 HA THR 13 HA THR 13 8.991 12.340 -3.546 59 HB THR 13 HB THR 13 6.895 13.548 -5.341 60 HG1 THR 13 1HG THR 13 8.540 13.674 -6.712 61 HG21 THR 13 1HG2 THR 13 6.808 14.781 -3.426 62 HG22 THR 13 2HG2 THR 13 8.151 15.613 -4.208 63 HG23 THR 13 3HG2 THR 13 8.467 14.395 -2.973 64 H VAL 14 H VAL 14 7.796 9.934 -3.223 65 HA VAL 14 HA VAL 14 4.966 10.214 -2.763 66 HB VAL 14 HB VAL 14 6.859 8.004 -1.949 67 HG11 VAL 14 1HG1 VAL 14 3.941 8.411 -1.590 68 HG12 VAL 14 2HG1 VAL 14 4.501 6.790 -2.004 69 HG13 VAL 14 3HG1 VAL 14 5.106 7.590 -0.553 70 HG21 VAL 14 1HG2 VAL 14 4.877 7.524 -4.055 71 HG22 VAL 14 2HG2 VAL 14 6.128 8.691 -4.481 72 HG23 VAL 14 3HG2 VAL 14 6.577 7.064 -3.970 73 H ARG 15 H ARG 15 4.089 11.123 -1.035 74 HA ARG 15 HA ARG 15 5.606 11.104 1.492 75 HB2 ARG 15 1HB ARG 15 4.140 13.253 1.907 76 HB3 ARG 15 2HB ARG 15 5.647 13.350 1.006 77 HG2 ARG 15 1HG ARG 15 4.352 13.203 -1.096 78 HG3 ARG 15 2HG ARG 15 2.868 13.236 -0.142 79 HD2 ARG 15 1HD ARG 15 3.175 15.456 -0.801 80 HD3 ARG 15 2HD ARG 15 3.779 15.409 0.855 81 HE ARG 15 HE ARG 15 5.781 15.003 -1.190 82 HH11 ARG 15 2HH1 ARG 15 4.117 17.293 0.836 83 HH12 ARG 15 1HH1 ARG 15 5.367 18.489 0.735 84 HH21 ARG 15 2HH2 ARG 15 7.433 16.569 -1.331 85 HH22 ARG 15 1HH2 ARG 15 7.253 18.076 -0.499 86 H ILE 16 H ILE 16 4.500 10.655 3.366 87 HA ILE 16 HA ILE 16 1.692 9.820 3.036 88 HB ILE 16 HB ILE 16 3.633 8.643 5.020 89 HG12 ILE 16 1HG1 ILE 16 2.890 7.722 2.243 90 HG13 ILE 16 2HG1 ILE 16 4.499 8.060 2.871 91 HG21 ILE 16 1HG2 ILE 16 0.894 8.569 4.945 92 HG22 ILE 16 2HG2 ILE 16 1.343 7.069 4.135 93 HG23 ILE 16 3HG2 ILE 16 1.930 7.401 5.765 94 HD11 ILE 16 1HD1 ILE 16 3.200 5.596 2.744 95 HD12 ILE 16 2HD1 ILE 16 4.730 5.967 3.540 96 HD13 ILE 16 3HD1 ILE 16 3.222 6.036 4.451 97 H SER 17 H SER 17 0.304 11.013 4.144 98 HA SER 17 HA SER 17 1.247 12.380 6.577 99 HB2 SER 17 1HB SER 17 0.485 13.770 4.550 100 HB3 SER 17 2HB SER 17 -1.146 13.232 4.953 101 HG SER 17 HG SER 17 0.581 14.496 6.810 102 H LYS 18 H LYS 18 0.131 12.159 8.451 103 HA LYS 18 HA LYS 18 -1.709 9.965 8.649 104 HB2 LYS 18 1HB LYS 18 -0.042 10.406 10.400 105 HB3 LYS 18 2HB LYS 18 -0.803 11.954 10.739 106 HG2 LYS 18 1HG LYS 18 -2.561 11.012 11.836 107 HG3 LYS 18 2HG LYS 18 -2.489 9.518 10.899 108 HD2 LYS 18 1HD LYS 18 -1.776 8.932 13.066 109 HD3 LYS 18 2HD LYS 18 -0.300 9.047 12.105 110 HE2 LYS 18 1HE LYS 18 0.028 11.344 12.962 111 HE3 LYS 18 2HE LYS 18 -1.396 11.140 13.982 112 HZ1 LYS 18 1HZ LYS 18 1.184 10.498 14.637 113 HZ2 LYS 18 2HZ LYS 18 0.461 9.003 14.318 114 HZ3 LYS 18 3HZ LYS 18 -0.209 10.035 15.479 115 H ASN 19 H ASN 19 -3.806 10.115 8.244 116 HA ASN 19 HA ASN 19 -5.130 12.719 8.510 117 HB2 ASN 19 1HB ASN 19 -5.232 11.366 6.345 118 HB3 ASN 19 2HB ASN 19 -6.283 10.251 7.213 119 HD21 ASN 19 1HD2 ASN 19 -8.019 10.683 5.868 120 HD22 ASN 19 2HD2 ASN 19 -8.896 12.170 5.940 121 H VAL 20 H VAL 20 -7.269 12.817 9.454 122 HA VAL 20 HA VAL 20 -7.418 11.594 11.977 123 HB VAL 20 HB VAL 20 -9.664 12.882 10.420 124 HG11 VAL 20 1HG1 VAL 20 -10.712 11.791 12.176 125 HG12 VAL 20 2HG1 VAL 20 -9.354 12.040 13.275 126 HG13 VAL 20 3HG1 VAL 20 -10.404 13.392 12.849 127 HG21 VAL 20 1HG2 VAL 20 -9.075 14.940 11.482 128 HG22 VAL 20 2HG2 VAL 20 -7.842 14.146 12.461 129 HG23 VAL 20 3HG2 VAL 20 -7.622 14.295 10.718 130 H ASP 21 H ASP 21 -8.555 10.595 8.863 131 HA ASP 21 HA ASP 21 -10.315 8.561 9.977 132 HB2 ASP 21 1HB ASP 21 -10.796 9.934 7.855 133 HB3 ASP 21 2HB ASP 21 -9.621 8.887 7.065 134 H GLY 22 H GLY 22 -7.073 8.897 8.954 135 HA2 GLY 22 1HA GLY 22 -6.095 6.540 9.858 136 HA3 GLY 22 2HA GLY 22 -6.682 6.121 8.255 137 H ILE 23 H ILE 23 -5.305 6.342 6.622 138 HA ILE 23 HA ILE 23 -3.076 8.242 6.913 139 HB ILE 23 HB ILE 23 -2.868 5.453 5.772 140 HG12 ILE 23 1HG1 ILE 23 -1.477 6.563 8.208 141 HG13 ILE 23 2HG1 ILE 23 -3.014 5.711 8.305 142 HG21 ILE 23 1HG2 ILE 23 -0.323 6.468 6.156 143 HG22 ILE 23 2HG2 ILE 23 -1.159 6.288 4.614 144 HG23 ILE 23 3HG2 ILE 23 -1.226 7.823 5.479 145 HD11 ILE 23 1HD1 ILE 23 -1.179 4.224 8.807 146 HD12 ILE 23 2HD1 ILE 23 -1.962 3.738 7.303 147 HD13 ILE 23 3HD1 ILE 23 -0.423 4.597 7.258 148 H HIS 24 H HIS 24 -2.677 9.494 5.183 149 HA HIS 24 HA HIS 24 -4.247 8.970 2.750 150 HB2 HIS 24 1HB HIS 24 -4.441 11.164 4.213 151 HB3 HIS 24 2HB HIS 24 -3.012 11.635 3.299 152 HD1 HIS 24 1HD HIS 24 -3.313 12.000 0.736 153 HD2 HIS 24 2HD HIS 24 -6.830 11.175 2.790 154 HE1 HIS 24 1HE HIS 24 -5.172 12.594 -0.849 155 HE2 HIS 24 2HE HIS 24 -7.290 12.167 0.446 156 H LEU 25 H LEU 25 -2.921 7.788 1.470 157 HA LEU 25 HA LEU 25 -0.114 8.367 1.232 158 HB2 LEU 25 1HB LEU 25 -1.414 6.105 0.965 159 HB3 LEU 25 2HB LEU 25 -1.589 6.643 -0.705 160 HG LEU 25 HG LEU 25 1.046 6.937 -0.476 161 HD11 LEU 25 1HD1 LEU 25 1.603 6.256 1.620 162 HD12 LEU 25 2HD1 LEU 25 1.669 4.697 0.799 163 HD13 LEU 25 3HD1 LEU 25 0.245 5.137 1.741 164 HD21 LEU 25 1HD2 LEU 25 0.617 5.566 -2.193 165 HD22 LEU 25 2HD2 LEU 25 -0.729 4.787 -1.361 166 HD23 LEU 25 3HD2 LEU 25 0.926 4.267 -1.040 167 H SER 26 H SER 26 0.880 9.601 -0.240 168 HA SER 26 HA SER 26 -0.565 10.420 -2.650 169 HB2 SER 26 1HB SER 26 0.719 12.348 -0.700 170 HB3 SER 26 2HB SER 26 0.117 12.785 -2.298 171 HG SER 26 HG SER 26 -1.402 11.743 -0.138 172 H TRP 27 H TRP 27 0.764 11.059 -4.376 173 HA TRP 27 HA TRP 27 3.635 11.070 -4.061 174 HB2 TRP 27 1HB TRP 27 4.048 9.222 -5.619 175 HB3 TRP 27 2HB TRP 27 3.170 8.664 -4.198 176 HD1 TRP 27 HD TRP 27 2.739 9.225 -7.955 177 HE1 TRP 27 1HE TRP 27 0.617 7.992 -8.734 178 HE3 TRP 27 3HE TRP 27 0.892 7.828 -3.397 179 HZ2 TRP 27 2HZ TRP 27 -1.552 6.611 -7.570 180 HZ3 TRP 27 3HZ TRP 27 -1.212 6.554 -3.317 181 HH2 TRP 27 HH TRP 27 -2.407 5.960 -5.362 182 H GLU 28 H GLU 28 4.712 11.333 -6.273 183 HA GLU 28 HA GLU 28 3.013 13.090 -7.915 184 HB2 GLU 28 1HB GLU 28 6.015 13.127 -7.557 185 HB3 GLU 28 2HB GLU 28 5.100 14.219 -8.586 186 HG2 GLU 28 1HG GLU 28 4.826 14.002 -5.597 187 HG3 GLU 28 2HG GLU 28 5.729 15.247 -6.458 188 HA PRO 29 HA PRO 29 3.492 10.404 -11.360 189 HB2 PRO 29 1HB PRO 29 3.251 12.193 -13.388 190 HB3 PRO 29 2HB PRO 29 1.883 11.675 -12.396 191 HG2 PRO 29 1HG PRO 29 3.533 14.165 -12.196 192 HG3 PRO 29 2HG PRO 29 1.775 13.975 -12.067 193 HD2 PRO 29 1HD PRO 29 3.374 14.232 -9.898 194 HD3 PRO 29 2HD PRO 29 1.885 13.266 -9.877 195 HA PRO 30 HA PRO 30 7.683 10.461 -12.707 196 HB2 PRO 30 1HB PRO 30 7.469 9.125 -15.060 197 HB3 PRO 30 2HB PRO 30 7.326 8.330 -13.488 198 HG2 PRO 30 1HG PRO 30 5.169 9.236 -15.356 199 HG3 PRO 30 2HG PRO 30 5.290 7.726 -14.435 200 HD2 PRO 30 1HD PRO 30 3.746 9.801 -13.634 201 HD3 PRO 30 2HD PRO 30 4.546 8.707 -12.487 202 H THR 31 H THR 31 9.112 11.489 -14.114 203 HA THR 31 HA THR 31 7.914 13.183 -16.200 204 HB THR 31 HB THR 31 8.264 14.766 -14.510 205 HG1 THR 31 1HG THR 31 10.192 15.910 -15.256 206 HG21 THR 31 1HG2 THR 31 9.637 13.124 -13.109 207 HG22 THR 31 2HG2 THR 31 10.056 14.833 -12.986 208 HG23 THR 31 3HG2 THR 31 11.043 13.752 -13.969 209 H SER 32 H SER 32 10.875 11.738 -14.901 210 HA SER 32 HA SER 32 12.446 12.246 -17.219 211 HB2 SER 32 1HB SER 32 12.767 10.724 -14.696 212 HB3 SER 32 2HB SER 32 13.753 10.186 -16.056 213 HG SER 32 HG SER 32 14.875 11.986 -15.971 214 HA PRO 33 HA PRO 33 11.655 7.601 -18.267 215 HB2 PRO 33 1HB PRO 33 9.801 6.279 -16.788 216 HB3 PRO 33 2HB PRO 33 11.511 6.349 -16.346 217 HG2 PRO 33 1HG PRO 33 9.217 7.968 -15.306 218 HG3 PRO 33 2HG PRO 33 10.556 7.223 -14.414 219 HD2 PRO 33 1HD PRO 33 10.511 9.856 -15.041 220 HD3 PRO 33 2HD PRO 33 12.019 8.925 -14.937 221 H SER 34 H SER 34 9.403 6.184 -18.699 222 HA SER 34 HA SER 34 8.079 7.294 -20.732 223 HB2 SER 34 1HB SER 34 7.738 4.984 -19.499 224 HB3 SER 34 2HB SER 34 6.363 5.817 -18.775 225 HG SER 34 HG SER 34 5.484 6.106 -20.780 226 H GLY 35 H GLY 35 6.358 8.646 -21.135 227 HA2 GLY 35 1HA GLY 35 5.590 10.370 -18.879 228 HA3 GLY 35 2HA GLY 35 5.529 10.823 -20.576 229 H ASN 36 H ASN 36 4.221 8.485 -21.534 230 HA ASN 36 HA ASN 36 1.518 9.214 -20.960 231 HB2 ASN 36 1HB ASN 36 2.753 7.042 -22.651 232 HB3 ASN 36 2HB ASN 36 1.010 7.229 -22.479 233 HD21 ASN 36 1HD2 ASN 36 0.316 8.011 -24.341 234 HD22 ASN 36 2HD2 ASN 36 0.961 9.389 -25.159 235 H ILE 37 H ILE 37 0.364 8.539 -19.289 236 HA ILE 37 HA ILE 37 0.827 5.822 -18.254 237 HB ILE 37 HB ILE 37 0.154 8.179 -16.498 238 HG12 ILE 37 1HG1 ILE 37 2.459 8.238 -17.650 239 HG13 ILE 37 2HG1 ILE 37 2.413 8.407 -15.898 240 HG21 ILE 37 1HG2 ILE 37 1.191 6.412 -14.831 241 HG22 ILE 37 2HG2 ILE 37 -0.508 6.358 -15.294 242 HG23 ILE 37 3HG2 ILE 37 0.652 5.282 -16.072 243 HD11 ILE 37 1HD1 ILE 37 2.770 5.697 -17.067 244 HD12 ILE 37 2HD1 ILE 37 4.133 6.818 -17.056 245 HD13 ILE 37 3HD1 ILE 37 3.357 6.358 -15.541 246 H LEU 38 H LEU 38 -0.962 4.949 -19.253 247 HA LEU 38 HA LEU 38 -3.458 5.959 -19.631 248 HB2 LEU 38 1HB LEU 38 -2.774 3.156 -18.757 249 HB3 LEU 38 2HB LEU 38 -4.308 3.649 -19.472 250 HG LEU 38 HG LEU 38 -1.632 3.776 -20.860 251 HD11 LEU 38 1HD1 LEU 38 -2.559 1.471 -20.333 252 HD12 LEU 38 2HD1 LEU 38 -2.219 1.823 -22.027 253 HD13 LEU 38 3HD1 LEU 38 -3.879 1.867 -21.433 254 HD21 LEU 38 1HD2 LEU 38 -2.654 5.070 -22.342 255 HD22 LEU 38 2HD2 LEU 38 -4.151 4.996 -21.413 256 HD23 LEU 38 3HD2 LEU 38 -3.816 3.779 -22.646 257 H GLU 39 H GLU 39 -2.567 4.013 -16.771 258 HA GLU 39 HA GLU 39 -4.194 5.728 -15.086 259 HB2 GLU 39 1HB GLU 39 -4.774 2.775 -15.374 260 HB3 GLU 39 2HB GLU 39 -5.478 3.828 -14.155 261 HG2 GLU 39 1HG GLU 39 -6.608 5.113 -15.842 262 HG3 GLU 39 2HG GLU 39 -5.806 4.204 -17.122 263 H TYR 40 H TYR 40 -4.129 4.803 -12.742 264 HA TYR 40 HA TYR 40 -1.432 3.725 -12.241 265 HB2 TYR 40 1HB TYR 40 -2.891 5.881 -10.702 266 HB3 TYR 40 2HB TYR 40 -1.381 5.138 -10.187 267 HD1 TYR 40 2HD TYR 40 -2.940 7.299 -12.740 268 HD2 TYR 40 1HD TYR 40 0.704 5.789 -11.145 269 HE1 TYR 40 2HE TYR 40 -1.685 8.954 -14.057 270 HE2 TYR 40 1HE TYR 40 1.969 7.441 -12.457 271 HH TYR 40 HH TYR 40 1.376 9.826 -13.476 272 H SER 41 H SER 41 -1.212 2.766 -10.028 273 HA SER 41 HA SER 41 -3.617 1.841 -8.738 274 HB2 SER 41 1HB SER 41 -3.189 0.313 -10.775 275 HB3 SER 41 2HB SER 41 -1.817 -0.301 -9.852 276 HG SER 41 HG SER 41 -4.562 -0.379 -9.155 277 H ALA 42 H ALA 42 -3.262 1.246 -6.649 278 HA ALA 42 HA ALA 42 -0.460 1.296 -5.737 279 HB1 ALA 42 1HB ALA 42 -2.679 2.822 -4.909 280 HB2 ALA 42 2HB ALA 42 -2.294 1.718 -3.588 281 HB3 ALA 42 3HB ALA 42 -1.055 2.801 -4.221 282 H TYR 43 H TYR 43 0.096 -0.064 -3.923 283 HA TYR 43 HA TYR 43 -1.715 -2.286 -3.367 284 HB2 TYR 43 1HB TYR 43 1.136 -2.789 -4.225 285 HB3 TYR 43 2HB TYR 43 -0.122 -3.983 -3.926 286 HD1 TYR 43 2HD TYR 43 0.471 -0.994 -6.097 287 HD2 TYR 43 1HD TYR 43 -1.153 -4.913 -5.765 288 HE1 TYR 43 2HE TYR 43 -0.141 -0.937 -8.479 289 HE2 TYR 43 1HE TYR 43 -1.768 -4.867 -8.146 290 HH TYR 43 HH TYR 43 -0.616 -3.234 -10.311 291 H LEU 44 H LEU 44 -1.215 -3.442 -1.455 292 HA LEU 44 HA LEU 44 0.822 -2.192 0.262 293 HB2 LEU 44 1HB LEU 44 -1.263 -1.302 0.986 294 HB3 LEU 44 2HB LEU 44 -2.023 -2.892 0.947 295 HG LEU 44 HG LEU 44 -0.314 -3.487 2.802 296 HD11 LEU 44 1HD1 LEU 44 0.812 -1.852 3.873 297 HD12 LEU 44 2HD1 LEU 44 -0.448 -0.650 3.599 298 HD13 LEU 44 3HD1 LEU 44 0.688 -1.046 2.310 299 HD21 LEU 44 1HD2 LEU 44 -2.124 -3.423 4.087 300 HD22 LEU 44 2HD2 LEU 44 -2.942 -2.544 2.795 301 HD23 LEU 44 3HD2 LEU 44 -2.131 -1.659 4.088 302 H ALA 45 H ALA 45 2.146 -3.577 1.258 303 HA ALA 45 HA ALA 45 2.092 -6.335 0.675 304 HB1 ALA 45 1HB ALA 45 3.841 -4.494 2.029 305 HB2 ALA 45 2HB ALA 45 3.718 -6.010 2.923 306 HB3 ALA 45 3HB ALA 45 4.219 -6.021 1.232 307 H ILE 46 H ILE 46 1.311 -8.062 1.752 308 HA ILE 46 HA ILE 46 0.236 -7.678 4.454 309 HB ILE 46 HB ILE 46 -1.815 -8.867 3.915 310 HG12 ILE 46 1HG1 ILE 46 -0.620 -10.048 1.904 311 HG13 ILE 46 2HG1 ILE 46 -2.351 -9.733 1.831 312 HG21 ILE 46 1HG2 ILE 46 -1.137 -6.386 2.400 313 HG22 ILE 46 2HG2 ILE 46 -2.723 -7.129 2.194 314 HG23 ILE 46 3HG2 ILE 46 -2.198 -6.599 3.793 315 HD11 ILE 46 1HD1 ILE 46 -0.734 -9.161 -0.171 316 HD12 ILE 46 2HD1 ILE 46 -2.131 -8.155 0.212 317 HD13 ILE 46 3HD1 ILE 46 -0.522 -7.669 0.745 318 H ARG 47 H ARG 47 -0.627 -9.968 5.221 319 HA ARG 47 HA ARG 47 1.554 -11.864 4.673 320 HB2 ARG 47 1HB ARG 47 -0.231 -11.635 7.103 321 HB3 ARG 47 2HB ARG 47 1.054 -12.816 6.891 322 HG2 ARG 47 1HG ARG 47 2.622 -10.830 6.636 323 HG3 ARG 47 2HG ARG 47 1.291 -9.849 7.251 324 HD2 ARG 47 1HD ARG 47 2.388 -12.263 8.680 325 HD3 ARG 47 2HD ARG 47 2.946 -10.617 8.978 326 HE ARG 47 HE ARG 47 0.302 -10.381 9.342 327 HH11 ARG 47 2HH1 ARG 47 2.615 -12.686 10.547 328 HH12 ARG 47 1HH1 ARG 47 1.756 -12.973 12.024 329 HH21 ARG 47 2HH2 ARG 47 -0.838 -10.749 11.283 330 HH22 ARG 47 1HH2 ARG 47 -0.209 -11.871 12.441 331 H THR 48 H THR 48 1.105 -13.746 3.733 332 HA THR 48 HA THR 48 -1.652 -14.764 3.830 333 HB THR 48 HB THR 48 -1.352 -15.529 1.440 334 HG1 THR 48 1HG THR 48 0.794 -15.276 1.044 335 HG21 THR 48 1HG2 THR 48 -2.781 -13.633 1.991 336 HG22 THR 48 2HG2 THR 48 -1.926 -13.336 0.477 337 HG23 THR 48 3HG2 THR 48 -1.387 -12.554 1.963 338 H ALA 49 H ALA 49 -1.840 -17.060 3.392 339 HA ALA 49 HA ALA 49 0.566 -18.513 4.247 340 HB1 ALA 49 1HB ALA 49 -1.956 -18.564 5.293 341 HB2 ALA 49 2HB ALA 49 -1.957 -19.989 4.253 342 HB3 ALA 49 3HB ALA 49 -0.737 -19.819 5.515 343 H GLN 50 H GLN 50 1.669 -19.272 2.553 344 HA GLN 50 HA GLN 50 0.463 -21.185 0.803 345 HB2 GLN 50 1HB GLN 50 -0.092 -18.857 -0.171 346 HB3 GLN 50 2HB GLN 50 1.614 -18.783 -0.590 347 HG2 GLN 50 1HG GLN 50 1.443 -20.593 -2.070 348 HG3 GLN 50 2HG GLN 50 -0.127 -21.074 -1.429 349 HE21 GLN 50 1HE2 GLN 50 -1.956 -20.094 -2.168 350 HE22 GLN 50 2HE2 GLN 50 -1.974 -18.971 -3.480 351 H MET 51 H MET 51 1.943 -22.653 0.227 352 HA MET 51 HA MET 51 4.620 -22.416 1.146 353 HB2 MET 51 1HB MET 51 3.216 -24.546 0.867 354 HB3 MET 51 2HB MET 51 3.653 -24.468 -0.834 355 HG2 MET 51 1HG MET 51 5.888 -24.894 -0.415 356 HG3 MET 51 2HG MET 51 5.770 -24.392 1.269 357 HE1 MET 51 1HE MET 51 5.684 -27.167 3.185 358 HE2 MET 51 2HE MET 51 5.263 -25.462 3.021 359 HE3 MET 51 3HE MET 51 3.990 -26.681 3.105 360 H GLN 52 H GLN 52 6.551 -22.337 -0.050 361 HA GLN 52 HA GLN 52 6.516 -21.933 -2.893 362 HB2 GLN 52 1HB GLN 52 7.298 -19.666 -2.940 363 HB3 GLN 52 2HB GLN 52 5.811 -19.706 -2.001 364 HG2 GLN 52 1HG GLN 52 8.473 -19.870 -0.651 365 HG3 GLN 52 2HG GLN 52 7.801 -18.317 -1.145 366 HE21 GLN 52 1HE2 GLN 52 6.151 -17.434 -0.002 367 HE22 GLN 52 2HE2 GLN 52 5.509 -18.118 1.448 368 H ASP 53 H ASP 53 8.841 -21.090 -3.560 369 HA ASP 53 HA ASP 53 10.824 -22.425 -1.841 370 HB2 ASP 53 1HB ASP 53 10.033 -23.653 -4.020 371 HB3 ASP 53 2HB ASP 53 11.088 -22.496 -4.825 372 H ASN 54 H ASN 54 10.265 -19.665 -1.845 373 HA ASN 54 HA ASN 54 12.652 -18.564 -3.176 374 HB2 ASN 54 1HB ASN 54 10.003 -17.297 -2.490 375 HB3 ASN 54 2HB ASN 54 11.430 -16.333 -2.861 376 HD21 ASN 54 1HD2 ASN 54 11.640 -15.746 -4.888 377 HD22 ASN 54 2HD2 ASN 54 10.966 -16.553 -6.259 378 HA PRO 55 HA PRO 55 14.418 -17.640 0.737 379 HB2 PRO 55 1HB PRO 55 15.852 -15.418 0.126 380 HB3 PRO 55 2HB PRO 55 16.317 -17.037 -0.407 381 HG2 PRO 55 1HG PRO 55 14.883 -14.886 -1.915 382 HG3 PRO 55 2HG PRO 55 16.186 -15.956 -2.462 383 HD2 PRO 55 1HD PRO 55 13.586 -16.395 -3.078 384 HD3 PRO 55 2HD PRO 55 14.750 -17.717 -2.848 385 H SER 56 H SER 56 13.143 -14.768 -0.948 386 HA SER 56 HA SER 56 11.633 -14.031 1.413 387 HB2 SER 56 1HB SER 56 14.032 -13.017 1.523 388 HB3 SER 56 2HB SER 56 13.443 -11.918 0.277 389 HG SER 56 HG SER 56 12.669 -10.836 1.900 390 H GLN 57 H GLN 57 9.681 -13.793 0.546 391 HA GLN 57 HA GLN 57 9.425 -12.108 -1.854 392 HB2 GLN 57 1HB GLN 57 8.140 -14.752 -1.248 393 HB3 GLN 57 2HB GLN 57 7.343 -13.598 -2.309 394 HG2 GLN 57 1HG GLN 57 10.044 -14.860 -2.707 395 HG3 GLN 57 2HG GLN 57 8.575 -15.167 -3.632 396 HE21 GLN 57 1HE2 GLN 57 11.275 -13.096 -3.161 397 HE22 GLN 57 2HE2 GLN 57 10.976 -12.037 -4.492 398 H LEU 58 H LEU 58 7.534 -10.842 -1.999 399 HA LEU 58 HA LEU 58 5.837 -10.732 0.385 400 HB2 LEU 58 1HB LEU 58 7.610 -8.588 -0.660 401 HB3 LEU 58 2HB LEU 58 6.035 -8.123 -0.023 402 HG LEU 58 HG LEU 58 8.051 -9.712 1.553 403 HD11 LEU 58 1HD1 LEU 58 7.550 -6.755 1.768 404 HD12 LEU 58 2HD1 LEU 58 8.884 -7.445 0.844 405 HD13 LEU 58 3HD1 LEU 58 8.785 -7.713 2.585 406 HD21 LEU 58 1HD2 LEU 58 5.399 -9.393 1.995 407 HD22 LEU 58 2HD2 LEU 58 6.050 -8.001 2.860 408 HD23 LEU 58 3HD2 LEU 58 6.598 -9.628 3.267 409 H VAL 59 H VAL 59 3.877 -11.126 -0.410 410 HA VAL 59 HA VAL 59 3.129 -10.348 -3.084 411 HB VAL 59 HB VAL 59 2.312 -12.461 -2.210 412 HG11 VAL 59 1HG1 VAL 59 0.342 -11.360 -0.365 413 HG12 VAL 59 2HG1 VAL 59 1.417 -12.748 -0.182 414 HG13 VAL 59 3HG1 VAL 59 2.005 -11.122 0.168 415 HG21 VAL 59 1HG2 VAL 59 0.782 -11.868 -3.770 416 HG22 VAL 59 2HG2 VAL 59 -0.279 -11.780 -2.364 417 HG23 VAL 59 3HG2 VAL 59 0.450 -10.310 -3.011 418 H PHE 60 H PHE 60 2.361 -8.422 -3.611 419 HA PHE 60 HA PHE 60 1.144 -6.758 -1.518 420 HB2 PHE 60 1HB PHE 60 2.301 -5.955 -4.196 421 HB3 PHE 60 2HB PHE 60 1.633 -4.850 -2.999 422 HD1 PHE 60 1HD PHE 60 4.335 -7.316 -3.574 423 HD2 PHE 60 2HD PHE 60 2.956 -4.019 -1.263 424 HE1 PHE 60 1HE PHE 60 6.547 -7.141 -2.510 425 HE2 PHE 60 2HE PHE 60 5.166 -3.837 -0.196 426 HZ PHE 60 HZ PHE 60 6.966 -5.399 -0.820 427 H MET 61 H MET 61 -0.998 -6.727 -1.497 428 HA MET 61 HA MET 61 -2.481 -7.327 -3.940 429 HB2 MET 61 1HB MET 61 -4.314 -7.848 -2.586 430 HB3 MET 61 2HB MET 61 -2.936 -8.407 -1.647 431 HG2 MET 61 1HG MET 61 -3.019 -6.293 -0.360 432 HG3 MET 61 2HG MET 61 -4.481 -5.859 -1.242 433 HE1 MET 61 1HE MET 61 -6.324 -6.623 1.945 434 HE2 MET 61 2HE MET 61 -4.687 -5.976 2.050 435 HE3 MET 61 3HE MET 61 -5.767 -5.439 0.762 436 H ARG 62 H ARG 62 -3.803 -5.908 -4.968 437 HA ARG 62 HA ARG 62 -3.344 -3.149 -4.676 438 HB2 ARG 62 1HB ARG 62 -4.066 -4.251 -6.784 439 HB3 ARG 62 2HB ARG 62 -5.656 -4.502 -6.076 440 HG2 ARG 62 1HG ARG 62 -5.697 -1.956 -5.760 441 HG3 ARG 62 2HG ARG 62 -4.353 -1.938 -6.903 442 HD2 ARG 62 1HD ARG 62 -6.248 -1.638 -8.238 443 HD3 ARG 62 2HD ARG 62 -5.859 -3.349 -8.413 444 HE ARG 62 HE ARG 62 -7.688 -3.056 -6.312 445 HH11 ARG 62 2HH1 ARG 62 -7.530 -2.723 -9.773 446 HH12 ARG 62 1HH1 ARG 62 -9.205 -3.093 -10.016 447 HH21 ARG 62 2HH2 ARG 62 -9.895 -3.544 -6.618 448 HH22 ARG 62 1HH2 ARG 62 -10.549 -3.558 -8.221 449 H ILE 63 H ILE 63 -4.397 -1.562 -3.608 450 HA ILE 63 HA ILE 63 -6.810 -2.309 -2.090 451 HB ILE 63 HB ILE 63 -6.074 -0.871 -0.255 452 HG12 ILE 63 1HG1 ILE 63 -3.399 -0.671 -1.634 453 HG13 ILE 63 2HG1 ILE 63 -4.629 0.579 -1.780 454 HG21 ILE 63 1HG2 ILE 63 -3.692 -2.399 -0.187 455 HG22 ILE 63 2HG2 ILE 63 -5.230 -2.732 0.607 456 HG23 ILE 63 3HG2 ILE 63 -4.921 -3.357 -1.013 457 HD11 ILE 63 1HD1 ILE 63 -3.180 1.303 -0.090 458 HD12 ILE 63 2HD1 ILE 63 -4.604 0.688 0.750 459 HD13 ILE 63 3HD1 ILE 63 -3.137 -0.288 0.670 460 H TYR 64 H TYR 64 -5.563 -0.368 -4.451 461 HA TYR 64 HA TYR 64 -7.833 1.440 -4.281 462 HB2 TYR 64 1HB TYR 64 -6.230 2.754 -3.099 463 HB3 TYR 64 2HB TYR 64 -4.964 2.377 -4.262 464 HD1 TYR 64 1HD TYR 64 -8.087 4.284 -3.750 465 HD2 TYR 64 2HD TYR 64 -4.706 3.652 -6.255 466 HE1 TYR 64 1HE TYR 64 -8.640 6.328 -5.002 467 HE2 TYR 64 2HE TYR 64 -5.249 5.694 -7.513 468 HH TYR 64 HH TYR 64 -7.521 7.976 -6.422 469 H CYS 65 H CYS 65 -8.653 1.898 -6.238 470 HA CYS 65 HA CYS 65 -7.000 1.301 -8.601 471 HB2 CYS 65 1HB CYS 65 -9.032 0.444 -9.718 472 HB3 CYS 65 2HB CYS 65 -8.603 -0.503 -8.298 473 HG CYS 65 HG CYS 65 -10.887 -0.318 -7.154 474 H GLY 66 H GLY 66 -6.590 3.191 -9.550 475 HA2 GLY 66 1HA GLY 66 -8.596 4.752 -10.735 476 HA3 GLY 66 2HA GLY 66 -8.117 5.532 -9.235 477 H LEU 67 H LEU 67 -7.664 7.117 -11.176 478 HA LEU 67 HA LEU 67 -4.927 6.680 -12.150 479 HB2 LEU 67 1HB LEU 67 -5.414 8.459 -13.770 480 HB3 LEU 67 2HB LEU 67 -6.524 7.096 -13.903 481 HG LEU 67 HG LEU 67 -7.311 9.517 -12.331 482 HD11 LEU 67 1HD1 LEU 67 -6.442 9.956 -14.794 483 HD12 LEU 67 2HD1 LEU 67 -7.868 10.767 -14.148 484 HD13 LEU 67 3HD1 LEU 67 -8.053 9.364 -15.200 485 HD21 LEU 67 1HD2 LEU 67 -9.332 8.313 -13.962 486 HD22 LEU 67 2HD2 LEU 67 -9.250 8.446 -12.205 487 HD23 LEU 67 3HD2 LEU 67 -8.509 7.068 -13.022 488 H LYS 68 H LYS 68 -6.620 8.275 -9.765 489 HA LYS 68 HA LYS 68 -5.253 10.758 -9.671 490 HB2 LYS 68 1HB LYS 68 -7.436 9.898 -8.450 491 HB3 LYS 68 2HB LYS 68 -6.292 9.469 -7.185 492 HG2 LYS 68 1HG LYS 68 -7.117 11.610 -6.646 493 HG3 LYS 68 2HG LYS 68 -5.482 11.851 -7.264 494 HD2 LYS 68 1HD LYS 68 -6.233 12.771 -9.254 495 HD3 LYS 68 2HD LYS 68 -7.824 12.019 -9.118 496 HE2 LYS 68 1HE LYS 68 -8.266 13.514 -7.161 497 HE3 LYS 68 2HE LYS 68 -6.751 14.340 -7.522 498 HZ1 LYS 68 1HZ LYS 68 -7.685 15.454 -9.191 499 HZ2 LYS 68 2HZ LYS 68 -9.175 14.983 -8.545 500 HZ3 LYS 68 3HZ LYS 68 -8.478 14.091 -9.802 501 H THR 69 H THR 69 -3.533 11.425 -8.375 502 HA THR 69 HA THR 69 -1.650 9.294 -7.706 503 HB THR 69 HB THR 69 -0.021 11.199 -7.419 504 HG1 THR 69 1HG THR 69 -1.945 12.730 -7.209 505 HG21 THR 69 1HG2 THR 69 -0.217 11.809 -9.991 506 HG22 THR 69 2HG2 THR 69 -1.383 10.486 -9.967 507 HG23 THR 69 3HG2 THR 69 0.281 10.203 -9.459 508 H SER 70 H SER 70 -3.896 9.655 -5.982 509 HA SER 70 HA SER 70 -2.526 9.848 -3.478 510 HB2 SER 70 1HB SER 70 -3.858 11.689 -2.535 511 HB3 SER 70 2HB SER 70 -2.893 12.242 -3.903 512 HG SER 70 HG SER 70 -5.619 12.111 -3.611 513 H CYS 71 H CYS 71 -3.409 8.385 -2.182 514 HA CYS 71 HA CYS 71 -6.284 7.828 -2.412 515 HB2 CYS 71 1HB CYS 71 -5.912 5.450 -2.315 516 HB3 CYS 71 2HB CYS 71 -4.961 6.104 -3.643 517 HG CYS 71 HG CYS 71 -3.964 4.461 -0.932 518 H THR 72 H THR 72 -7.006 6.395 -0.512 519 HA THR 72 HA THR 72 -5.598 7.236 1.937 520 HB THR 72 HB THR 72 -8.596 7.058 1.575 521 HG1 THR 72 1HG THR 72 -8.233 9.434 2.099 522 HG21 THR 72 1HG2 THR 72 -8.465 8.290 3.845 523 HG22 THR 72 2HG2 THR 72 -6.831 7.631 3.933 524 HG23 THR 72 3HG2 THR 72 -8.216 6.545 3.818 525 H VAL 73 H VAL 73 -5.146 5.668 3.356 526 HA VAL 73 HA VAL 73 -6.237 2.990 2.830 527 HB VAL 73 HB VAL 73 -3.808 3.714 4.472 528 HG11 VAL 73 1HG1 VAL 73 -5.264 1.421 4.551 529 HG12 VAL 73 2HG1 VAL 73 -4.071 1.033 3.310 530 HG13 VAL 73 3HG1 VAL 73 -3.543 1.529 4.918 531 HG21 VAL 73 1HG2 VAL 73 -3.936 2.671 1.644 532 HG22 VAL 73 2HG2 VAL 73 -3.530 4.325 2.102 533 HG23 VAL 73 3HG2 VAL 73 -2.474 2.994 2.576 534 H THR 74 H THR 74 -7.802 2.319 4.125 535 HA THR 74 HA THR 74 -8.398 3.646 6.599 536 HB THR 74 HB THR 74 -10.255 2.062 6.796 537 HG1 THR 74 1HG THR 74 -10.450 0.606 4.842 538 HG21 THR 74 1HG2 THR 74 -11.162 2.473 4.331 539 HG22 THR 74 2HG2 THR 74 -9.765 3.548 4.269 540 HG23 THR 74 3HG2 THR 74 -11.007 3.785 5.498 541 H ALA 75 H ALA 75 -8.773 2.393 8.625 542 HA ALA 75 HA ALA 75 -6.404 1.165 9.493 543 HB1 ALA 75 1HB ALA 75 -8.065 2.341 10.941 544 HB2 ALA 75 2HB ALA 75 -9.105 0.922 10.805 545 HB3 ALA 75 3HB ALA 75 -7.522 0.785 11.569 546 H GLY 76 H GLY 76 -9.535 -0.217 8.552 547 HA2 GLY 76 1HA GLY 76 -9.170 -2.857 9.232 548 HA3 GLY 76 2HA GLY 76 -10.069 -2.330 7.817 549 H GLN 77 H GLN 77 -7.844 -1.148 6.448 550 HA GLN 77 HA GLN 77 -6.751 -3.547 5.286 551 HB2 GLN 77 1HB GLN 77 -6.268 -0.637 4.625 552 HB3 GLN 77 2HB GLN 77 -5.696 -2.000 3.671 553 HG2 GLN 77 1HG GLN 77 -8.608 -1.598 4.252 554 HG3 GLN 77 2HG GLN 77 -7.808 -0.799 2.900 555 HE21 GLN 77 1HE2 GLN 77 -7.682 -1.860 1.047 556 HE22 GLN 77 2HE2 GLN 77 -7.970 -3.550 0.831 557 H LEU 78 H LEU 78 -5.556 -0.829 7.188 558 HA LEU 78 HA LEU 78 -2.822 -1.295 7.006 559 HB2 LEU 78 1HB LEU 78 -4.552 -0.120 9.151 560 HB3 LEU 78 2HB LEU 78 -2.813 -0.289 9.383 561 HG LEU 78 HG LEU 78 -4.030 1.240 7.090 562 HD11 LEU 78 1HD1 LEU 78 -4.023 3.183 8.299 563 HD12 LEU 78 2HD1 LEU 78 -2.837 2.589 9.461 564 HD13 LEU 78 3HD1 LEU 78 -4.509 2.034 9.545 565 HD21 LEU 78 1HD2 LEU 78 -1.920 1.840 6.526 566 HD22 LEU 78 2HD2 LEU 78 -1.537 0.298 7.292 567 HD23 LEU 78 3HD2 LEU 78 -1.344 1.803 8.193 568 H ALA 79 H ALA 79 -5.235 -2.761 9.123 569 HA ALA 79 HA ALA 79 -3.609 -4.124 10.893 570 HB1 ALA 79 1HB ALA 79 -6.343 -4.165 10.158 571 HB2 ALA 79 2HB ALA 79 -5.774 -5.834 10.206 572 HB3 ALA 79 3HB ALA 79 -5.590 -4.799 11.622 573 H ASN 80 H ASN 80 -4.516 -4.985 7.596 574 HA ASN 80 HA ASN 80 -3.209 -7.550 7.718 575 HB2 ASN 80 1HB ASN 80 -4.487 -5.978 5.482 576 HB3 ASN 80 2HB ASN 80 -3.668 -7.513 5.206 577 HD21 ASN 80 1HD2 ASN 80 -6.568 -6.409 5.237 578 HD22 ASN 80 2HD2 ASN 80 -7.438 -7.655 6.057 579 H ALA 81 H ALA 81 -2.243 -4.345 7.168 580 HA ALA 81 HA ALA 81 -0.171 -4.663 5.305 581 HB1 ALA 81 1HB ALA 81 -1.142 -2.496 6.138 582 HB2 ALA 81 2HB ALA 81 -0.156 -2.700 7.586 583 HB3 ALA 81 3HB ALA 81 0.617 -2.540 6.009 584 H HIS 82 H HIS 82 1.520 -5.973 5.461 585 HA HIS 82 HA HIS 82 2.457 -6.952 7.998 586 HB2 HIS 82 1HB HIS 82 2.558 -8.555 6.287 587 HB3 HIS 82 2HB HIS 82 3.252 -7.417 5.136 588 HD1 HIS 82 1HD HIS 82 4.153 -9.934 7.656 589 HD2 HIS 82 2HD HIS 82 6.047 -6.874 5.581 590 HE1 HIS 82 1HE HIS 82 6.616 -10.357 7.936 591 HE2 HIS 82 2HE HIS 82 7.742 -8.445 6.743 592 H ILE 83 H ILE 83 3.862 -5.939 9.255 593 HA ILE 83 HA ILE 83 5.484 -3.777 8.170 594 HB ILE 83 HB ILE 83 4.973 -4.695 10.997 595 HG12 ILE 83 1HG1 ILE 83 4.387 -1.960 9.950 596 HG13 ILE 83 2HG1 ILE 83 3.321 -3.280 9.480 597 HG21 ILE 83 1HG2 ILE 83 7.180 -3.930 11.098 598 HG22 ILE 83 2HG2 ILE 83 6.881 -2.638 9.937 599 HG23 ILE 83 3HG2 ILE 83 6.216 -2.530 11.567 600 HD11 ILE 83 1HD1 ILE 83 2.875 -1.804 11.621 601 HD12 ILE 83 2HD1 ILE 83 2.477 -3.522 11.573 602 HD13 ILE 83 3HD1 ILE 83 3.961 -2.982 12.357 603 H ASP 84 H ASP 84 7.589 -3.929 7.750 604 HA ASP 84 HA ASP 84 8.937 -6.437 7.993 605 HB2 ASP 84 1HB ASP 84 9.752 -3.708 7.023 606 HB3 ASP 84 2HB ASP 84 10.929 -5.009 7.177 607 H TYR 85 H TYR 85 9.751 -7.168 9.835 608 HA TYR 85 HA TYR 85 10.817 -5.237 11.781 609 HB2 TYR 85 1HB TYR 85 9.712 -8.024 12.113 610 HB3 TYR 85 2HB TYR 85 10.606 -7.203 13.388 611 HD1 TYR 85 1HD TYR 85 9.708 -4.747 13.915 612 HD2 TYR 85 2HD TYR 85 7.412 -7.859 12.138 613 HE1 TYR 85 1HE TYR 85 7.641 -3.637 14.655 614 HE2 TYR 85 2HE TYR 85 5.340 -6.756 12.872 615 HH TYR 85 HH TYR 85 5.338 -4.142 15.097 616 H THR 86 H THR 86 12.276 -6.171 9.447 617 HA THR 86 HA THR 86 14.349 -7.866 10.649 618 HB THR 86 HB THR 86 13.287 -8.349 8.330 619 HG1 THR 86 1HG THR 86 14.992 -9.588 8.205 620 HG21 THR 86 1HG2 THR 86 13.912 -7.121 6.508 621 HG22 THR 86 2HG2 THR 86 15.436 -6.613 7.236 622 HG23 THR 86 3HG2 THR 86 13.927 -5.841 7.720 623 H SER 87 H SER 87 13.735 -4.676 9.399 624 HA SER 87 HA SER 87 16.453 -3.891 10.199 625 HB2 SER 87 1HB SER 87 15.027 -3.268 7.627 626 HB3 SER 87 2HB SER 87 16.248 -2.166 8.263 627 HG SER 87 HG SER 87 16.699 -4.253 6.813 628 H ARG 88 H ARG 88 13.199 -2.722 9.374 629 HA ARG 88 HA ARG 88 13.204 -1.033 11.729 630 HB2 ARG 88 1HB ARG 88 13.390 0.027 8.956 631 HB3 ARG 88 2HB ARG 88 12.302 0.854 10.064 632 HG2 ARG 88 1HG ARG 88 14.041 1.458 11.505 633 HG3 ARG 88 2HG ARG 88 15.150 0.281 10.800 634 HD2 ARG 88 1HD ARG 88 14.045 2.408 9.040 635 HD3 ARG 88 2HD ARG 88 15.287 2.856 10.210 636 HE ARG 88 HE ARG 88 15.621 1.226 7.847 637 HH11 ARG 88 2HH1 ARG 88 16.934 2.187 10.925 638 HH12 ARG 88 1HH1 ARG 88 18.559 1.750 10.515 639 HH21 ARG 88 2HH2 ARG 88 17.758 0.647 7.296 640 HH22 ARG 88 1HH2 ARG 88 19.027 0.875 8.450 641 HA PRO 89 HA PRO 89 9.023 -2.501 11.566 642 HB2 PRO 89 1HB PRO 89 8.119 -1.119 13.721 643 HB3 PRO 89 2HB PRO 89 9.128 -2.563 13.861 644 HG2 PRO 89 1HG PRO 89 9.914 0.320 14.034 645 HG3 PRO 89 2HG PRO 89 10.431 -1.043 15.044 646 HD2 PRO 89 1HD PRO 89 11.960 -0.052 13.041 647 HD3 PRO 89 2HD PRO 89 11.975 -1.768 13.494 648 H ALA 90 H ALA 90 8.702 -1.295 9.529 649 HA ALA 90 HA ALA 90 6.903 0.981 9.972 650 HB1 ALA 90 1HB ALA 90 7.864 2.015 7.866 651 HB2 ALA 90 2HB ALA 90 8.880 2.081 9.307 652 HB3 ALA 90 3HB ALA 90 9.211 0.891 8.048 653 H ILE 91 H ILE 91 5.571 1.449 7.993 654 HA ILE 91 HA ILE 91 4.535 -1.059 6.970 655 HB ILE 91 HB ILE 91 3.555 1.777 6.630 656 HG12 ILE 91 1HG1 ILE 91 2.480 -0.521 8.280 657 HG13 ILE 91 2HG1 ILE 91 3.366 0.860 8.917 658 HG21 ILE 91 1HG2 ILE 91 3.013 0.207 4.734 659 HG22 ILE 91 2HG2 ILE 91 2.086 -0.742 5.894 660 HG23 ILE 91 3HG2 ILE 91 1.625 0.925 5.551 661 HD11 ILE 91 1HD1 ILE 91 1.251 1.555 9.326 662 HD12 ILE 91 2HD1 ILE 91 1.432 2.185 7.689 663 HD13 ILE 91 3HD1 ILE 91 0.574 0.669 7.960 664 H VAL 92 H VAL 92 5.156 -1.909 5.107 665 HA VAL 92 HA VAL 92 6.597 -0.264 3.176 666 HB VAL 92 HB VAL 92 6.162 -3.252 3.274 667 HG11 VAL 92 1HG1 VAL 92 8.199 -3.010 1.595 668 HG12 VAL 92 2HG1 VAL 92 6.524 -2.973 1.039 669 HG13 VAL 92 3HG1 VAL 92 7.415 -1.466 1.259 670 HG21 VAL 92 1HG2 VAL 92 8.843 -2.036 3.558 671 HG22 VAL 92 2HG2 VAL 92 7.739 -1.851 4.921 672 HG23 VAL 92 3HG2 VAL 92 8.155 -3.462 4.336 673 H PHE 93 H PHE 93 5.674 0.522 1.407 674 HA PHE 93 HA PHE 93 3.130 -0.664 0.510 675 HB2 PHE 93 1HB PHE 93 4.089 2.178 0.598 676 HB3 PHE 93 2HB PHE 93 2.860 1.697 -0.567 677 HD1 PHE 93 2HD PHE 93 0.759 0.557 0.344 678 HD2 PHE 93 1HD PHE 93 3.503 2.719 2.776 679 HE1 PHE 93 2HE PHE 93 -0.975 0.810 2.070 680 HE2 PHE 93 1HE PHE 93 1.773 2.975 4.506 681 HZ PHE 93 HZ PHE 93 -0.470 2.021 4.154 682 H ARG 94 H ARG 94 2.683 -0.311 -1.853 683 HA ARG 94 HA ARG 94 5.091 -0.223 -3.507 684 HB2 ARG 94 1HB ARG 94 3.308 -2.579 -3.129 685 HB3 ARG 94 2HB ARG 94 3.911 -2.262 -4.750 686 HG2 ARG 94 1HG ARG 94 5.681 -2.520 -2.332 687 HG3 ARG 94 2HG ARG 94 5.280 -3.858 -3.411 688 HD2 ARG 94 1HD ARG 94 6.203 -2.513 -5.299 689 HD3 ARG 94 2HD ARG 94 6.737 -1.316 -4.120 690 HE ARG 94 HE ARG 94 7.751 -3.781 -3.324 691 HH11 ARG 94 2HH1 ARG 94 8.074 -1.564 -5.989 692 HH12 ARG 94 1HH1 ARG 94 9.710 -2.015 -6.336 693 HH21 ARG 94 2HH2 ARG 94 9.905 -4.385 -3.772 694 HH22 ARG 94 1HH2 ARG 94 10.750 -3.621 -5.076 695 H ILE 95 H ILE 95 4.739 1.161 -5.102 696 HA ILE 95 HA ILE 95 2.038 1.326 -6.263 697 HB ILE 95 HB ILE 95 3.861 3.702 -5.896 698 HG12 ILE 95 1HG1 ILE 95 1.349 3.209 -4.317 699 HG13 ILE 95 2HG1 ILE 95 2.902 2.599 -3.758 700 HG21 ILE 95 1HG2 ILE 95 1.899 4.999 -6.496 701 HG22 ILE 95 2HG2 ILE 95 2.269 3.828 -7.761 702 HG23 ILE 95 3HG2 ILE 95 0.944 3.524 -6.639 703 HD11 ILE 95 1HD1 ILE 95 3.786 4.869 -3.731 704 HD12 ILE 95 2HD1 ILE 95 2.231 5.481 -4.297 705 HD13 ILE 95 3HD1 ILE 95 2.354 4.718 -2.712 706 H SER 96 H SER 96 1.911 1.648 -8.467 707 HA SER 96 HA SER 96 4.288 2.131 -10.035 708 HB2 SER 96 1HB SER 96 4.356 -0.332 -9.541 709 HB3 SER 96 2HB SER 96 2.825 -0.493 -10.402 710 HG SER 96 HG SER 96 4.869 -0.851 -11.618 711 H ALA 97 H ALA 97 3.686 1.870 -12.469 712 HA ALA 97 HA ALA 97 1.004 3.037 -12.825 713 HB1 ALA 97 1HB ALA 97 2.049 4.720 -13.824 714 HB2 ALA 97 2HB ALA 97 3.598 3.883 -13.718 715 HB3 ALA 97 3HB ALA 97 2.538 3.603 -15.099 716 H LYS 98 H LYS 98 -0.089 2.573 -14.856 717 HA LYS 98 HA LYS 98 0.538 -0.136 -15.825 718 HB2 LYS 98 1HB LYS 98 -1.693 0.425 -14.598 719 HB3 LYS 98 2HB LYS 98 -2.152 1.158 -16.130 720 HG2 LYS 98 1HG LYS 98 -1.562 -1.069 -17.198 721 HG3 LYS 98 2HG LYS 98 -1.517 -1.718 -15.557 722 HD2 LYS 98 1HD LYS 98 -3.784 -1.442 -15.244 723 HD3 LYS 98 2HD LYS 98 -3.898 -0.150 -16.441 724 HE2 LYS 98 1HE LYS 98 -4.940 -2.334 -17.115 725 HE3 LYS 98 2HE LYS 98 -3.745 -1.692 -18.241 726 HZ1 LYS 98 1HZ LYS 98 -2.759 -3.516 -16.197 727 HZ2 LYS 98 2HZ LYS 98 -2.315 -3.369 -17.822 728 HZ3 LYS 98 3HZ LYS 98 -3.729 -4.198 -17.404 729 H ASN 99 H ASN 99 0.926 -0.457 -17.935 730 HA ASN 99 HA ASN 99 0.423 1.784 -19.780 731 HB2 ASN 99 1HB ASN 99 2.857 0.107 -19.371 732 HB3 ASN 99 2HB ASN 99 2.483 0.640 -21.008 733 HD21 ASN 99 1HD2 ASN 99 4.777 1.483 -19.986 734 HD22 ASN 99 2HD2 ASN 99 4.699 3.153 -19.547 735 H GLU 100 H GLU 100 0.362 1.075 -22.105 736 HA GLU 100 HA GLU 100 -1.705 -0.502 -22.731 737 HB2 GLU 100 1HB GLU 100 -0.103 0.824 -24.279 738 HB3 GLU 100 2HB GLU 100 0.761 -0.699 -24.437 739 HG2 GLU 100 1HG GLU 100 -1.290 -1.762 -25.263 740 HG3 GLU 100 2HG GLU 100 -2.124 -0.214 -25.143 741 H LYS 101 H LYS 101 1.559 -1.654 -22.069 742 HA LYS 101 HA LYS 101 0.836 -4.411 -22.588 743 HB2 LYS 101 1HB LYS 101 3.031 -4.252 -23.139 744 HB3 LYS 101 2HB LYS 101 3.317 -2.912 -22.037 745 HG2 LYS 101 1HG LYS 101 4.616 -4.747 -21.284 746 HG3 LYS 101 2HG LYS 101 3.271 -4.559 -20.156 747 HD2 LYS 101 1HD LYS 101 3.357 -6.859 -20.529 748 HD3 LYS 101 2HD LYS 101 2.078 -6.312 -21.615 749 HE2 LYS 101 1HE LYS 101 4.040 -6.103 -23.332 750 HE3 LYS 101 2HE LYS 101 4.848 -7.233 -22.247 751 HZ1 LYS 101 1HZ LYS 101 2.817 -8.662 -22.476 752 HZ2 LYS 101 2HZ LYS 101 3.755 -8.515 -23.876 753 HZ3 LYS 101 3HZ LYS 101 2.314 -7.641 -23.728 754 H GLY 102 H GLY 102 1.923 -2.528 -19.759 755 HA2 GLY 102 1HA GLY 102 0.123 -3.379 -17.910 756 HA3 GLY 102 2HA GLY 102 1.300 -4.683 -17.949 757 H TYR 103 H TYR 103 1.695 -4.150 -15.706 758 HA TYR 103 HA TYR 103 2.945 -1.605 -15.121 759 HB2 TYR 103 1HB TYR 103 2.491 -4.043 -13.389 760 HB3 TYR 103 2HB TYR 103 3.136 -2.508 -12.818 761 HD1 TYR 103 1HD TYR 103 0.136 -4.190 -14.154 762 HD2 TYR 103 2HD TYR 103 1.699 -0.652 -12.380 763 HE1 TYR 103 1HE TYR 103 -2.154 -3.386 -13.753 764 HE2 TYR 103 2HE TYR 103 -0.586 0.160 -11.973 765 HH TYR 103 HH TYR 103 -3.413 -1.681 -13.067 766 H GLY 104 H GLY 104 5.072 -1.450 -14.135 767 HA2 GLY 104 1HA GLY 104 6.892 -3.669 -14.744 768 HA3 GLY 104 2HA GLY 104 7.212 -2.104 -15.478 769 HA PRO 105 HA PRO 105 9.648 -1.107 -11.961 770 HB2 PRO 105 1HB PRO 105 9.616 1.600 -12.158 771 HB3 PRO 105 2HB PRO 105 10.552 0.569 -13.246 772 HG2 PRO 105 1HG PRO 105 7.884 1.853 -13.683 773 HG3 PRO 105 2HG PRO 105 9.259 1.723 -14.795 774 HD2 PRO 105 1HD PRO 105 7.105 0.089 -14.944 775 HD3 PRO 105 2HD PRO 105 8.741 -0.445 -15.382 776 H ALA 106 H ALA 106 9.068 -1.163 -9.890 777 HA ALA 106 HA ALA 106 6.676 0.343 -9.052 778 HB1 ALA 106 1HB ALA 106 6.269 -1.992 -8.803 779 HB2 ALA 106 2HB ALA 106 7.814 -2.234 -7.986 780 HB3 ALA 106 3HB ALA 106 6.529 -1.323 -7.192 781 H THR 107 H THR 107 6.696 1.206 -6.868 782 HA THR 107 HA THR 107 9.417 1.903 -5.969 783 HB THR 107 HB THR 107 6.919 3.601 -5.813 784 HG1 THR 107 1HG THR 107 9.322 4.169 -7.215 785 HG21 THR 107 1HG2 THR 107 8.084 4.249 -3.925 786 HG22 THR 107 2HG2 THR 107 8.764 5.331 -5.141 787 HG23 THR 107 3HG2 THR 107 9.654 3.892 -4.643 788 H GLN 108 H GLN 108 9.928 1.528 -3.893 789 HA GLN 108 HA GLN 108 7.772 0.609 -2.110 790 HB2 GLN 108 1HB GLN 108 9.378 -1.152 -2.664 791 HB3 GLN 108 2HB GLN 108 10.702 -0.138 -2.107 792 HG2 GLN 108 1HG GLN 108 9.561 -0.131 0.153 793 HG3 GLN 108 2HG GLN 108 8.532 -1.416 -0.478 794 HE21 GLN 108 1HE2 GLN 108 9.921 -2.038 1.672 795 HE22 GLN 108 2HE2 GLN 108 11.264 -3.059 1.299 796 H ILE 109 H ILE 109 7.432 1.668 -0.258 797 HA ILE 109 HA ILE 109 9.454 3.634 0.600 798 HB ILE 109 HB ILE 109 7.462 4.738 -0.328 799 HG12 ILE 109 1HG1 ILE 109 7.421 5.114 2.659 800 HG13 ILE 109 2HG1 ILE 109 8.810 5.601 1.693 801 HG21 ILE 109 1HG2 ILE 109 6.023 2.712 0.669 802 HG22 ILE 109 2HG2 ILE 109 5.758 3.908 1.937 803 HG23 ILE 109 3HG2 ILE 109 5.327 4.283 0.268 804 HD11 ILE 109 1HD1 ILE 109 7.391 7.494 2.074 805 HD12 ILE 109 2HD1 ILE 109 7.320 7.055 0.367 806 HD13 ILE 109 3HD1 ILE 109 5.993 6.623 1.445 807 H ARG 110 H ARG 110 9.336 4.198 2.923 808 HA ARG 110 HA ARG 110 8.344 1.974 4.573 809 HB2 ARG 110 1HB ARG 110 11.067 3.259 4.612 810 HB3 ARG 110 2HB ARG 110 10.432 2.395 6.005 811 HG2 ARG 110 1HG ARG 110 10.503 0.348 4.935 812 HG3 ARG 110 2HG ARG 110 10.497 1.075 3.327 813 HD2 ARG 110 1HD ARG 110 12.749 1.662 3.453 814 HD3 ARG 110 2HD ARG 110 12.783 1.522 5.211 815 HE ARG 110 HE ARG 110 12.225 -0.970 3.933 816 HH11 ARG 110 2HH1 ARG 110 14.773 1.230 4.819 817 HH12 ARG 110 1HH1 ARG 110 15.992 0.000 4.878 818 HH21 ARG 110 2HH2 ARG 110 13.821 -2.598 4.006 819 HH22 ARG 110 1HH2 ARG 110 15.449 -2.177 4.414 820 H TRP 111 H TRP 111 6.705 2.900 5.647 821 HA TRP 111 HA TRP 111 7.076 5.587 6.764 822 HB2 TRP 111 1HB TRP 111 5.039 5.004 5.352 823 HB3 TRP 111 2HB TRP 111 4.510 4.000 6.699 824 HD1 TRP 111 HD TRP 111 5.727 7.687 6.376 825 HE1 TRP 111 1HE TRP 111 4.147 9.156 7.779 826 HE3 TRP 111 3HE TRP 111 2.602 4.052 8.153 827 HZ2 TRP 111 2HZ TRP 111 1.877 8.819 9.423 828 HZ3 TRP 111 3HZ TRP 111 0.751 4.709 9.635 829 HH2 TRP 111 HH TRP 111 0.398 7.044 10.256 830 H LEU 112 H LEU 112 8.059 5.461 8.694 831 HA LEU 112 HA LEU 112 7.718 3.281 10.498 832 HB2 LEU 112 1HB LEU 112 8.959 6.005 10.808 833 HB3 LEU 112 2HB LEU 112 8.947 4.796 12.091 834 HG LEU 112 HG LEU 112 10.103 4.051 9.449 835 HD11 LEU 112 1HD1 LEU 112 11.404 5.899 9.539 836 HD12 LEU 112 2HD1 LEU 112 12.311 4.911 10.683 837 HD13 LEU 112 3HD1 LEU 112 11.169 6.118 11.274 838 HD21 LEU 112 1HD2 LEU 112 11.738 3.093 11.362 839 HD22 LEU 112 2HD2 LEU 112 10.313 2.238 10.772 840 HD23 LEU 112 3HD2 LEU 112 10.223 3.179 12.261 841 H GLN 113 H GLN 113 6.122 2.947 11.889 842 HA GLN 113 HA GLN 113 3.860 4.490 12.145 843 HB2 GLN 113 1HB GLN 113 5.096 2.547 14.094 844 HB3 GLN 113 2HB GLN 113 3.501 3.251 14.321 845 HG2 GLN 113 1HG GLN 113 2.878 2.299 12.082 846 HG3 GLN 113 2HG GLN 113 4.408 1.424 12.117 847 HE21 GLN 113 1HE2 GLN 113 1.775 0.308 12.028 848 HE22 GLN 113 2HE2 GLN 113 1.576 -0.643 13.456 849 H GLY 114 H GLY 114 3.196 6.168 13.392 850 HA2 GLY 114 1HA GLY 114 5.290 7.559 14.901 851 HA3 GLY 114 2HA GLY 114 3.789 8.268 14.322 852 H ASN 115 H ASN 115 5.378 6.692 16.920 853 HA ASN 115 HA ASN 115 3.218 5.771 18.430 854 HB2 ASN 115 1HB ASN 115 5.795 5.549 18.811 855 HB3 ASN 115 2HB ASN 115 5.603 7.030 19.745 856 HD21 ASN 115 1HD2 ASN 115 6.413 4.463 20.707 857 HD22 ASN 115 2HD2 ASN 115 5.243 3.965 21.876 858 H SER 116 H SER 116 1.462 7.049 18.650 859 HA SER 116 HA SER 116 1.568 9.218 20.492 860 HB2 SER 116 1HB SER 116 0.743 10.985 18.974 861 HB3 SER 116 2HB SER 116 2.358 10.438 18.524 862 HG SER 116 HG SER 116 1.463 10.194 16.632 863 H LYS 117 H LYS 117 -0.430 9.691 21.339 864 HA LYS 117 HA LYS 117 -2.581 7.890 20.540 865 HB2 LYS 117 1HB LYS 117 -1.701 8.395 22.979 866 HB3 LYS 117 2HB LYS 117 -2.804 9.760 22.861 867 HG2 LYS 117 1HG LYS 117 -4.509 7.924 22.102 868 HG3 LYS 117 2HG LYS 117 -3.395 6.844 22.943 869 HD2 LYS 117 1HD LYS 117 -3.576 8.445 24.912 870 HD3 LYS 117 2HD LYS 117 -4.941 9.171 24.060 871 HE2 LYS 117 1HE LYS 117 -5.924 7.611 25.495 872 HE3 LYS 117 2HE LYS 117 -5.883 6.794 23.934 873 HZ1 LYS 117 1HZ LYS 117 -3.636 6.420 25.783 874 HZ2 LYS 117 2HZ LYS 117 -4.261 5.360 24.622 875 HZ3 LYS 117 3HZ LYS 117 -5.080 5.590 26.085 876 H SER 118 H SER 118 -3.742 8.679 18.885 877 HA SER 118 HA SER 118 -4.113 11.262 18.081 878 HB2 SER 118 1HB SER 118 -6.296 10.465 17.086 879 HB3 SER 118 2HB SER 118 -4.893 9.473 16.691 880 HG SER 118 HG SER 118 -5.570 8.123 18.510 881 H GLY 119 H GLY 119 -5.897 9.521 20.577 882 HA2 GLY 119 1HA GLY 119 -7.097 10.363 22.363 883 HA3 GLY 119 2HA GLY 119 -6.666 11.983 21.835 884 HA PRO 120 HA PRO 120 -11.193 10.859 20.896 885 HB2 PRO 120 1HB PRO 120 -12.372 12.340 22.842 886 HB3 PRO 120 2HB PRO 120 -11.914 10.648 23.068 887 HG2 PRO 120 1HG PRO 120 -10.476 13.130 23.924 888 HG3 PRO 120 2HG PRO 120 -10.739 11.624 24.822 889 HD2 PRO 120 1HD PRO 120 -8.399 12.192 23.583 890 HD3 PRO 120 2HD PRO 120 -9.015 10.535 23.746 891 H SER 121 H SER 121 -12.875 12.424 20.247 892 HA SER 121 HA SER 121 -11.832 15.132 19.777 893 HB2 SER 121 1HB SER 121 -12.650 15.087 17.476 894 HB3 SER 121 2HB SER 121 -11.498 13.777 17.731 895 HG SER 121 HG SER 121 -13.151 12.325 17.768 896 H SER 122 H SER 122 -13.848 13.875 21.615 897 HA SER 122 HA SER 122 -15.867 15.893 21.313 898 HB2 SER 122 1HB SER 122 -16.429 13.053 20.600 899 HB3 SER 122 2HB SER 122 -17.668 13.936 21.492 900 HG SER 122 HG SER 122 -18.014 15.189 19.806 901 H GLY 123 H GLY 123 -16.683 16.457 23.252 902 HA2 GLY 123 1HA GLY 123 -17.421 15.024 25.405 903 HA3 GLY 123 2HA GLY 123 -15.673 15.063 25.586 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.883 -16.002 -12.667 2 HA2 GLY 1 1HA GLY 1 7.151 -15.544 -12.456 3 HA3 GLY 1 2HA GLY 1 7.202 -15.156 -14.169 4 H SER 2 H SER 2 8.179 -13.211 -14.184 5 HA SER 2 HA SER 2 6.895 -11.063 -12.626 6 HB2 SER 2 1HB SER 2 9.806 -11.606 -13.149 7 HB3 SER 2 2HB SER 2 9.247 -9.970 -12.804 8 HG SER 2 HG SER 2 9.646 -10.732 -10.832 9 H SER 3 H SER 3 6.568 -9.100 -13.635 10 HA SER 3 HA SER 3 7.269 -8.937 -16.487 11 HB2 SER 3 1HB SER 3 4.985 -9.564 -16.561 12 HB3 SER 3 2HB SER 3 4.566 -8.498 -15.221 13 HG SER 3 HG SER 3 4.182 -7.027 -16.655 14 H GLY 4 H GLY 4 7.578 -6.847 -17.312 15 HA2 GLY 4 1HA GLY 4 7.162 -4.393 -16.665 16 HA3 GLY 4 2HA GLY 4 8.068 -4.830 -15.223 17 H SER 5 H SER 5 8.277 -4.631 -18.750 18 HA SER 5 HA SER 5 11.098 -3.892 -18.464 19 HB2 SER 5 1HB SER 5 11.208 -6.225 -19.048 20 HB3 SER 5 2HB SER 5 10.023 -6.011 -20.336 21 HG SER 5 HG SER 5 11.506 -4.972 -21.549 22 H SER 6 H SER 6 11.795 -2.346 -19.869 23 HA SER 6 HA SER 6 11.587 -0.517 -21.217 24 HB2 SER 6 1HB SER 6 10.042 -2.459 -22.951 25 HB3 SER 6 2HB SER 6 10.827 -0.975 -23.490 26 HG SER 6 HG SER 6 11.892 -3.441 -23.045 27 H GLY 7 H GLY 7 9.708 -0.544 -19.172 28 HA2 GLY 7 1HA GLY 7 7.272 0.477 -20.494 29 HA3 GLY 7 2HA GLY 7 7.314 -0.193 -18.869 30 HA PRO 8 HA PRO 8 7.360 4.385 -18.404 31 HB2 PRO 8 1HB PRO 8 5.726 4.396 -16.236 32 HB3 PRO 8 2HB PRO 8 5.119 4.375 -17.896 33 HG2 PRO 8 1HG PRO 8 5.434 2.109 -15.965 34 HG3 PRO 8 2HG PRO 8 4.087 2.465 -17.062 35 HD2 PRO 8 1HD PRO 8 5.974 0.607 -17.627 36 HD3 PRO 8 2HD PRO 8 5.171 1.566 -18.887 37 H GLY 9 H GLY 9 7.668 5.611 -16.199 38 HA2 GLY 9 1HA GLY 9 9.971 4.348 -14.920 39 HA3 GLY 9 2HA GLY 9 9.520 6.043 -14.810 40 H ALA 10 H ALA 10 10.050 5.577 -12.497 41 HA ALA 10 HA ALA 10 7.847 4.240 -11.087 42 HB1 ALA 10 1HB ALA 10 9.817 3.322 -10.292 43 HB2 ALA 10 2HB ALA 10 10.678 4.861 -10.349 44 HB3 ALA 10 3HB ALA 10 9.473 4.571 -9.095 45 HA PRO 11 HA PRO 11 6.156 7.994 -9.566 46 HB2 PRO 11 1HB PRO 11 5.342 7.253 -7.084 47 HB3 PRO 11 2HB PRO 11 4.529 6.720 -8.560 48 HG2 PRO 11 1HG PRO 11 6.528 5.269 -6.868 49 HG3 PRO 11 2HG PRO 11 5.037 4.659 -7.609 50 HD2 PRO 11 1HD PRO 11 7.483 4.218 -8.682 51 HD3 PRO 11 2HD PRO 11 6.023 4.397 -9.676 52 H SER 12 H SER 12 7.214 9.760 -8.946 53 HA SER 12 HA SER 12 9.206 9.533 -6.790 54 HB2 SER 12 1HB SER 12 10.366 11.401 -7.772 55 HB3 SER 12 2HB SER 12 10.032 10.240 -9.057 56 HG SER 12 HG SER 12 8.660 12.656 -8.497 57 H THR 13 H THR 13 9.450 11.413 -5.376 58 HA THR 13 HA THR 13 8.646 12.956 -3.908 59 HB THR 13 HB THR 13 6.496 13.634 -5.909 60 HG1 THR 13 1HG THR 13 8.139 15.173 -6.685 61 HG21 THR 13 1HG2 THR 13 7.947 15.686 -4.352 62 HG22 THR 13 2HG2 THR 13 6.890 14.614 -3.433 63 HG23 THR 13 3HG2 THR 13 6.235 15.573 -4.761 64 H VAL 14 H VAL 14 7.807 10.369 -3.515 65 HA VAL 14 HA VAL 14 4.946 10.321 -3.102 66 HB VAL 14 HB VAL 14 7.092 8.335 -2.348 67 HG11 VAL 14 1HG1 VAL 14 4.394 7.301 -2.464 68 HG12 VAL 14 2HG1 VAL 14 5.603 7.154 -1.187 69 HG13 VAL 14 3HG1 VAL 14 4.551 8.568 -1.248 70 HG21 VAL 14 1HG2 VAL 14 4.996 8.190 -4.510 71 HG22 VAL 14 2HG2 VAL 14 6.674 8.664 -4.778 72 HG23 VAL 14 3HG2 VAL 14 6.297 7.038 -4.208 73 H ARG 15 H ARG 15 4.200 11.575 -1.500 74 HA ARG 15 HA ARG 15 5.639 11.581 1.065 75 HB2 ARG 15 1HB ARG 15 3.653 13.525 -0.117 76 HB3 ARG 15 2HB ARG 15 4.209 13.605 1.550 77 HG2 ARG 15 1HG ARG 15 6.578 13.634 0.466 78 HG3 ARG 15 2HG ARG 15 5.698 14.157 -0.972 79 HD2 ARG 15 1HD ARG 15 5.359 15.487 1.702 80 HD3 ARG 15 2HD ARG 15 6.604 15.979 0.555 81 HE ARG 15 HE ARG 15 4.213 15.970 -0.835 82 HH11 ARG 15 2HH1 ARG 15 5.583 17.626 1.904 83 HH12 ARG 15 1HH1 ARG 15 4.663 19.073 1.655 84 HH21 ARG 15 2HH2 ARG 15 2.996 17.869 -1.174 85 HH22 ARG 15 1HH2 ARG 15 3.191 19.210 -0.096 86 H ILE 16 H ILE 16 4.496 11.285 3.013 87 HA ILE 16 HA ILE 16 1.790 10.163 2.749 88 HB ILE 16 HB ILE 16 3.955 8.981 4.491 89 HG12 ILE 16 1HG1 ILE 16 2.737 7.864 1.957 90 HG13 ILE 16 2HG1 ILE 16 4.328 8.610 2.055 91 HG21 ILE 16 1HG2 ILE 16 1.440 7.552 3.845 92 HG22 ILE 16 2HG2 ILE 16 2.418 7.521 5.311 93 HG23 ILE 16 3HG2 ILE 16 1.347 8.885 4.995 94 HD11 ILE 16 1HD1 ILE 16 5.037 6.512 2.335 95 HD12 ILE 16 2HD1 ILE 16 4.500 6.729 4.001 96 HD13 ILE 16 3HD1 ILE 16 3.447 5.933 2.832 97 H SER 17 H SER 17 0.367 10.813 4.257 98 HA SER 17 HA SER 17 1.381 12.132 6.678 99 HB2 SER 17 1HB SER 17 0.602 13.694 4.695 100 HB3 SER 17 2HB SER 17 -1.006 13.295 5.298 101 HG SER 17 HG SER 17 0.021 13.915 7.438 102 H LYS 18 H LYS 18 0.471 11.337 8.447 103 HA LYS 18 HA LYS 18 -1.604 9.403 8.333 104 HB2 LYS 18 1HB LYS 18 0.182 9.419 10.055 105 HB3 LYS 18 2HB LYS 18 -0.522 10.877 10.742 106 HG2 LYS 18 1HG LYS 18 -2.302 9.761 11.644 107 HG3 LYS 18 2HG LYS 18 -2.248 8.474 10.437 108 HD2 LYS 18 1HD LYS 18 -1.417 7.340 12.236 109 HD3 LYS 18 2HD LYS 18 0.089 7.993 11.587 110 HE2 LYS 18 1HE LYS 18 0.282 9.565 13.256 111 HE3 LYS 18 2HE LYS 18 -1.452 9.598 13.572 112 HZ1 LYS 18 1HZ LYS 18 -0.389 7.030 14.120 113 HZ2 LYS 18 2HZ LYS 18 -1.208 8.087 15.155 114 HZ3 LYS 18 3HZ LYS 18 0.470 8.208 14.979 115 H ASN 19 H ASN 19 -3.738 9.663 8.356 116 HA ASN 19 HA ASN 19 -4.808 12.317 9.035 117 HB2 ASN 19 1HB ASN 19 -5.193 11.469 6.709 118 HB3 ASN 19 2HB ASN 19 -6.137 10.150 7.397 119 HD21 ASN 19 1HD2 ASN 19 -8.168 10.558 6.871 120 HD22 ASN 19 2HD2 ASN 19 -8.997 12.050 7.139 121 H VAL 20 H VAL 20 -7.036 12.305 9.972 122 HA VAL 20 HA VAL 20 -7.086 10.863 12.381 123 HB VAL 20 HB VAL 20 -9.359 12.274 10.977 124 HG11 VAL 20 1HG1 VAL 20 -10.493 11.031 12.530 125 HG12 VAL 20 2HG1 VAL 20 -9.125 10.969 13.643 126 HG13 VAL 20 3HG1 VAL 20 -10.083 12.444 13.501 127 HG21 VAL 20 1HG2 VAL 20 -8.766 13.986 12.846 128 HG22 VAL 20 2HG2 VAL 20 -7.200 13.174 12.839 129 HG23 VAL 20 3HG2 VAL 20 -7.804 13.939 11.369 130 H ASP 21 H ASP 21 -8.781 10.355 9.317 131 HA ASP 21 HA ASP 21 -10.331 8.151 10.243 132 HB2 ASP 21 1HB ASP 21 -11.191 9.301 8.363 133 HB3 ASP 21 2HB ASP 21 -9.656 9.206 7.503 134 H GLY 22 H GLY 22 -7.136 8.508 8.902 135 HA2 GLY 22 1HA GLY 22 -6.197 6.046 9.772 136 HA3 GLY 22 2HA GLY 22 -6.751 5.803 8.122 137 H ILE 23 H ILE 23 -5.227 5.993 6.636 138 HA ILE 23 HA ILE 23 -3.020 7.883 7.124 139 HB ILE 23 HB ILE 23 -2.800 5.178 5.799 140 HG12 ILE 23 1HG1 ILE 23 -1.487 6.099 8.355 141 HG13 ILE 23 2HG1 ILE 23 -3.037 5.264 8.337 142 HG21 ILE 23 1HG2 ILE 23 -0.885 7.453 6.128 143 HG22 ILE 23 2HG2 ILE 23 -0.297 5.794 6.016 144 HG23 ILE 23 3HG2 ILE 23 -1.238 6.487 4.695 145 HD11 ILE 23 1HD1 ILE 23 -1.949 3.364 7.196 146 HD12 ILE 23 2HD1 ILE 23 -0.402 4.196 7.360 147 HD13 ILE 23 3HD1 ILE 23 -1.290 3.694 8.798 148 H HIS 24 H HIS 24 -2.291 9.069 5.390 149 HA HIS 24 HA HIS 24 -3.921 8.875 2.945 150 HB2 HIS 24 1HB HIS 24 -4.280 10.976 4.087 151 HB3 HIS 24 2HB HIS 24 -2.545 11.263 4.189 152 HD1 HIS 24 1HD HIS 24 -4.981 10.577 1.333 153 HD2 HIS 24 2HD HIS 24 -1.803 13.061 2.329 154 HE1 HIS 24 1HE HIS 24 -4.653 12.080 -0.657 155 HE2 HIS 24 2HE HIS 24 -2.670 13.516 -0.065 156 H LEU 25 H LEU 25 -2.869 7.976 1.309 157 HA LEU 25 HA LEU 25 0.045 8.305 1.135 158 HB2 LEU 25 1HB LEU 25 -1.270 6.016 1.127 159 HB3 LEU 25 2HB LEU 25 -1.454 6.393 -0.585 160 HG LEU 25 HG LEU 25 1.184 6.717 -0.388 161 HD11 LEU 25 1HD1 LEU 25 1.980 4.765 1.057 162 HD12 LEU 25 2HD1 LEU 25 0.422 4.897 1.871 163 HD13 LEU 25 3HD1 LEU 25 1.537 6.263 1.876 164 HD21 LEU 25 1HD2 LEU 25 0.164 5.254 -1.977 165 HD22 LEU 25 2HD2 LEU 25 -0.322 4.126 -0.711 166 HD23 LEU 25 3HD2 LEU 25 1.387 4.331 -1.102 167 H SER 26 H SER 26 0.869 9.597 -0.365 168 HA SER 26 HA SER 26 -0.698 10.135 -2.795 169 HB2 SER 26 1HB SER 26 0.089 12.510 -2.684 170 HB3 SER 26 2HB SER 26 -1.010 12.068 -1.377 171 HG SER 26 HG SER 26 0.531 12.834 -0.164 172 H TRP 27 H TRP 27 0.486 10.511 -4.670 173 HA TRP 27 HA TRP 27 3.393 10.427 -4.534 174 HB2 TRP 27 1HB TRP 27 3.514 8.563 -6.169 175 HB3 TRP 27 2HB TRP 27 2.823 8.071 -4.626 176 HD1 TRP 27 HD TRP 27 1.870 8.635 -8.290 177 HE1 TRP 27 1HE TRP 27 -0.398 7.502 -8.733 178 HE3 TRP 27 3HE TRP 27 0.662 7.335 -3.496 179 HZ2 TRP 27 2HZ TRP 27 -2.430 6.226 -7.247 180 HZ3 TRP 27 3HZ TRP 27 -1.462 6.161 -3.092 181 HH2 TRP 27 HH TRP 27 -2.975 5.619 -4.930 182 H GLU 28 H GLU 28 4.132 10.235 -7.060 183 HA GLU 28 HA GLU 28 2.425 11.894 -8.736 184 HB2 GLU 28 1HB GLU 28 5.161 12.739 -7.786 185 HB3 GLU 28 2HB GLU 28 4.387 13.432 -9.204 186 HG2 GLU 28 1HG GLU 28 3.196 13.468 -6.443 187 HG3 GLU 28 2HG GLU 28 4.142 14.783 -7.138 188 HA PRO 29 HA PRO 29 4.113 9.484 -11.991 189 HB2 PRO 29 1HB PRO 29 4.006 11.235 -14.063 190 HB3 PRO 29 2HB PRO 29 2.567 10.477 -13.370 191 HG2 PRO 29 1HG PRO 29 3.690 13.208 -12.881 192 HG3 PRO 29 2HG PRO 29 2.003 12.719 -13.122 193 HD2 PRO 29 1HD PRO 29 3.041 13.213 -10.670 194 HD3 PRO 29 2HD PRO 29 1.767 12.007 -10.942 195 HA PRO 30 HA PRO 30 8.422 10.273 -12.433 196 HB2 PRO 30 1HB PRO 30 8.935 8.969 -14.758 197 HB3 PRO 30 2HB PRO 30 8.602 8.129 -13.239 198 HG2 PRO 30 1HG PRO 30 6.764 8.697 -15.533 199 HG3 PRO 30 2HG PRO 30 6.942 7.210 -14.584 200 HD2 PRO 30 1HD PRO 30 4.936 8.979 -14.157 201 HD3 PRO 30 2HD PRO 30 5.650 8.011 -12.851 202 H THR 31 H THR 31 6.670 10.620 -15.524 203 HA THR 31 HA THR 31 7.969 13.217 -15.909 204 HB THR 31 HB THR 31 8.058 12.436 -18.450 205 HG1 THR 31 1HG THR 31 8.986 10.041 -17.436 206 HG21 THR 31 1HG2 THR 31 9.985 13.297 -17.336 207 HG22 THR 31 2HG2 THR 31 10.447 11.748 -18.042 208 HG23 THR 31 3HG2 THR 31 10.109 11.864 -16.316 209 H SER 32 H SER 32 6.910 14.550 -17.541 210 HA SER 32 HA SER 32 4.070 14.398 -17.320 211 HB2 SER 32 1HB SER 32 6.040 16.291 -18.468 212 HB3 SER 32 2HB SER 32 4.427 16.324 -19.180 213 HG SER 32 HG SER 32 5.104 16.668 -16.446 214 HA PRO 33 HA PRO 33 4.198 13.579 -22.074 215 HB2 PRO 33 1HB PRO 33 6.621 13.098 -23.200 216 HB3 PRO 33 2HB PRO 33 5.938 14.721 -23.047 217 HG2 PRO 33 1HG PRO 33 7.971 13.351 -21.329 218 HG3 PRO 33 2HG PRO 33 7.952 15.021 -21.925 219 HD2 PRO 33 1HD PRO 33 7.208 14.366 -19.406 220 HD3 PRO 33 2HD PRO 33 6.482 15.721 -20.294 221 H SER 34 H SER 34 5.502 11.853 -19.594 222 HA SER 34 HA SER 34 6.556 9.526 -20.343 223 HB2 SER 34 1HB SER 34 5.165 8.379 -18.609 224 HB3 SER 34 2HB SER 34 5.886 9.888 -18.047 225 HG SER 34 HG SER 34 3.653 10.679 -18.962 226 H GLY 35 H GLY 35 3.269 10.526 -21.057 227 HA2 GLY 35 1HA GLY 35 2.592 9.538 -23.315 228 HA3 GLY 35 2HA GLY 35 2.841 7.996 -22.509 229 H ASN 36 H ASN 36 0.746 7.275 -22.670 230 HA ASN 36 HA ASN 36 -1.318 8.898 -21.344 231 HB2 ASN 36 1HB ASN 36 -1.670 6.566 -23.241 232 HB3 ASN 36 2HB ASN 36 -2.958 7.561 -22.570 233 HD21 ASN 36 1HD2 ASN 36 -0.139 7.587 -24.663 234 HD22 ASN 36 2HD2 ASN 36 -0.632 8.939 -25.619 235 H ILE 37 H ILE 37 -0.785 8.297 -19.222 236 HA ILE 37 HA ILE 37 -0.688 5.524 -18.455 237 HB ILE 37 HB ILE 37 -0.805 8.022 -16.760 238 HG12 ILE 37 1HG1 ILE 37 1.524 6.213 -17.440 239 HG13 ILE 37 2HG1 ILE 37 1.223 7.784 -18.175 240 HG21 ILE 37 1HG2 ILE 37 -0.861 6.770 -14.910 241 HG22 ILE 37 2HG2 ILE 37 -1.421 5.471 -15.962 242 HG23 ILE 37 3HG2 ILE 37 0.291 5.603 -15.558 243 HD11 ILE 37 1HD1 ILE 37 1.904 8.926 -16.338 244 HD12 ILE 37 2HD1 ILE 37 1.402 7.656 -15.222 245 HD13 ILE 37 3HD1 ILE 37 2.888 7.474 -16.154 246 H LEU 38 H LEU 38 -2.701 4.692 -19.083 247 HA LEU 38 HA LEU 38 -5.211 5.541 -18.822 248 HB2 LEU 38 1HB LEU 38 -4.236 2.845 -17.892 249 HB3 LEU 38 2HB LEU 38 -5.912 3.244 -18.263 250 HG LEU 38 HG LEU 38 -3.660 3.325 -20.268 251 HD11 LEU 38 1HD1 LEU 38 -4.656 1.059 -19.143 252 HD12 LEU 38 2HD1 LEU 38 -3.987 1.167 -20.770 253 HD13 LEU 38 3HD1 LEU 38 -5.731 1.270 -20.525 254 HD21 LEU 38 1HD2 LEU 38 -6.026 3.028 -21.609 255 HD22 LEU 38 2HD2 LEU 38 -5.160 4.549 -21.389 256 HD23 LEU 38 3HD2 LEU 38 -6.473 4.114 -20.293 257 H GLU 39 H GLU 39 -3.987 3.564 -16.133 258 HA GLU 39 HA GLU 39 -4.927 5.545 -14.213 259 HB2 GLU 39 1HB GLU 39 -6.180 2.887 -14.672 260 HB3 GLU 39 2HB GLU 39 -5.989 3.412 -13.005 261 HG2 GLU 39 1HG GLU 39 -7.255 5.426 -13.466 262 HG3 GLU 39 2HG GLU 39 -7.398 4.968 -15.162 263 H TYR 40 H TYR 40 -4.185 5.138 -12.037 264 HA TYR 40 HA TYR 40 -1.647 3.681 -12.035 265 HB2 TYR 40 1HB TYR 40 -2.743 5.687 -10.052 266 HB3 TYR 40 2HB TYR 40 -1.135 4.972 -10.004 267 HD1 TYR 40 2HD TYR 40 -3.321 6.855 -12.385 268 HD2 TYR 40 1HD TYR 40 0.604 6.208 -10.876 269 HE1 TYR 40 2HE TYR 40 -2.479 8.670 -13.815 270 HE2 TYR 40 1HE TYR 40 1.457 8.022 -12.301 271 HH TYR 40 HH TYR 40 0.938 9.309 -14.152 272 H SER 41 H SER 41 -1.054 2.662 -9.876 273 HA SER 41 HA SER 41 -3.339 1.475 -8.496 274 HB2 SER 41 1HB SER 41 -2.897 -0.141 -10.235 275 HB3 SER 41 2HB SER 41 -1.171 -0.120 -9.878 276 HG SER 41 HG SER 41 -1.823 -0.885 -7.722 277 H ALA 42 H ALA 42 -2.987 1.124 -6.370 278 HA ALA 42 HA ALA 42 -0.237 1.500 -5.377 279 HB1 ALA 42 1HB ALA 42 -2.833 2.565 -4.318 280 HB2 ALA 42 2HB ALA 42 -1.408 2.412 -3.290 281 HB3 ALA 42 3HB ALA 42 -1.357 3.442 -4.720 282 H TYR 43 H TYR 43 0.496 -0.403 -4.691 283 HA TYR 43 HA TYR 43 -1.356 -2.323 -3.491 284 HB2 TYR 43 1HB TYR 43 1.548 -2.702 -4.246 285 HB3 TYR 43 2HB TYR 43 0.410 -3.963 -3.784 286 HD1 TYR 43 2HD TYR 43 1.061 -1.383 -6.380 287 HD2 TYR 43 1HD TYR 43 -0.900 -5.030 -5.406 288 HE1 TYR 43 2HE TYR 43 0.431 -1.668 -8.741 289 HE2 TYR 43 1HE TYR 43 -1.535 -5.326 -7.763 290 HH TYR 43 HH TYR 43 -1.869 -3.924 -9.770 291 H LEU 44 H LEU 44 -0.896 -3.346 -1.487 292 HA LEU 44 HA LEU 44 1.034 -1.956 0.236 293 HB2 LEU 44 1HB LEU 44 -0.914 -0.902 0.915 294 HB3 LEU 44 2HB LEU 44 -1.895 -2.347 0.680 295 HG LEU 44 HG LEU 44 -0.597 -3.301 2.687 296 HD11 LEU 44 1HD1 LEU 44 1.081 -1.987 3.365 297 HD12 LEU 44 2HD1 LEU 44 -0.180 -1.038 4.151 298 HD13 LEU 44 3HD1 LEU 44 0.419 -0.562 2.563 299 HD21 LEU 44 1HD2 LEU 44 -2.296 -2.640 4.096 300 HD22 LEU 44 2HD2 LEU 44 -3.012 -2.333 2.514 301 HD23 LEU 44 3HD2 LEU 44 -2.339 -0.999 3.451 302 H ALA 45 H ALA 45 2.463 -3.520 0.658 303 HA ALA 45 HA ALA 45 2.339 -6.188 0.539 304 HB1 ALA 45 1HB ALA 45 4.377 -5.956 1.379 305 HB2 ALA 45 2HB ALA 45 3.984 -4.323 1.921 306 HB3 ALA 45 3HB ALA 45 3.684 -5.700 2.981 307 H ILE 46 H ILE 46 1.352 -7.854 1.511 308 HA ILE 46 HA ILE 46 -0.105 -7.334 4.018 309 HB ILE 46 HB ILE 46 -1.872 -8.878 3.246 310 HG12 ILE 46 1HG1 ILE 46 -0.634 -8.645 0.503 311 HG13 ILE 46 2HG1 ILE 46 -0.340 -10.021 1.561 312 HG21 ILE 46 1HG2 ILE 46 -1.666 -6.757 1.157 313 HG22 ILE 46 2HG2 ILE 46 -3.057 -7.260 2.115 314 HG23 ILE 46 3HG2 ILE 46 -1.778 -6.298 2.856 315 HD11 ILE 46 1HD1 ILE 46 -2.097 -10.924 0.535 316 HD12 ILE 46 2HD1 ILE 46 -3.060 -9.870 1.571 317 HD13 ILE 46 3HD1 ILE 46 -2.663 -9.367 -0.072 318 H ARG 47 H ARG 47 -0.007 -8.887 5.571 319 HA ARG 47 HA ARG 47 2.112 -10.736 5.518 320 HB2 ARG 47 1HB ARG 47 0.776 -9.637 7.512 321 HB3 ARG 47 2HB ARG 47 -0.186 -11.104 7.391 322 HG2 ARG 47 1HG ARG 47 2.782 -11.319 7.542 323 HG3 ARG 47 2HG ARG 47 1.856 -10.984 9.006 324 HD2 ARG 47 1HD ARG 47 1.220 -13.270 7.157 325 HD3 ARG 47 2HD ARG 47 2.340 -13.420 8.511 326 HE ARG 47 HE ARG 47 -0.541 -13.208 8.643 327 HH11 ARG 47 2HH1 ARG 47 2.479 -12.954 10.358 328 HH12 ARG 47 1HH1 ARG 47 1.763 -13.187 11.918 329 HH21 ARG 47 2HH2 ARG 47 -1.495 -13.517 10.692 330 HH22 ARG 47 1HH2 ARG 47 -0.498 -13.508 12.107 331 H THR 48 H THR 48 2.205 -12.908 5.160 332 HA THR 48 HA THR 48 0.377 -14.071 3.379 333 HB THR 48 HB THR 48 2.720 -14.802 3.544 334 HG1 THR 48 1HG THR 48 2.204 -16.830 2.997 335 HG21 THR 48 1HG2 THR 48 3.437 -14.947 5.695 336 HG22 THR 48 2HG2 THR 48 2.943 -16.629 5.498 337 HG23 THR 48 3HG2 THR 48 1.868 -15.481 6.296 338 H ALA 49 H ALA 49 -1.156 -15.708 3.636 339 HA ALA 49 HA ALA 49 -2.220 -15.960 6.371 340 HB1 ALA 49 1HB ALA 49 -3.607 -14.842 4.527 341 HB2 ALA 49 2HB ALA 49 -3.816 -16.471 3.883 342 HB3 ALA 49 3HB ALA 49 -4.385 -16.085 5.507 343 H GLN 50 H GLN 50 -0.124 -17.626 5.593 344 HA GLN 50 HA GLN 50 -1.280 -20.186 6.083 345 HB2 GLN 50 1HB GLN 50 -1.432 -19.659 3.492 346 HB3 GLN 50 2HB GLN 50 0.256 -20.153 3.524 347 HG2 GLN 50 1HG GLN 50 -0.576 -22.249 4.731 348 HG3 GLN 50 2HG GLN 50 -2.180 -21.762 4.187 349 HE21 GLN 50 1HE2 GLN 50 -1.798 -23.999 3.205 350 HE22 GLN 50 2HE2 GLN 50 -1.164 -24.015 1.598 351 H MET 51 H MET 51 0.290 -21.795 6.572 352 HA MET 51 HA MET 51 2.925 -20.649 7.183 353 HB2 MET 51 1HB MET 51 1.382 -22.938 8.394 354 HB3 MET 51 2HB MET 51 3.083 -22.660 8.741 355 HG2 MET 51 1HG MET 51 2.457 -20.364 9.513 356 HG3 MET 51 2HG MET 51 0.769 -20.844 9.353 357 HE1 MET 51 1HE MET 51 3.685 -21.427 12.593 358 HE2 MET 51 2HE MET 51 4.047 -22.731 11.462 359 HE3 MET 51 3HE MET 51 4.022 -21.058 10.902 360 H GLN 52 H GLN 52 4.599 -21.253 5.989 361 HA GLN 52 HA GLN 52 5.080 -23.943 5.222 362 HB2 GLN 52 1HB GLN 52 4.855 -23.790 2.842 363 HB3 GLN 52 2HB GLN 52 3.327 -23.293 3.557 364 HG2 GLN 52 1HG GLN 52 5.455 -21.509 2.403 365 HG3 GLN 52 2HG GLN 52 3.854 -21.832 1.739 366 HE21 GLN 52 1HE2 GLN 52 2.128 -20.710 2.477 367 HE22 GLN 52 2HE2 GLN 52 2.226 -19.445 3.649 368 H ASP 53 H ASP 53 7.211 -24.157 5.258 369 HA ASP 53 HA ASP 53 9.024 -22.125 5.648 370 HB2 ASP 53 1HB ASP 53 10.713 -23.858 4.663 371 HB3 ASP 53 2HB ASP 53 9.852 -24.235 6.153 372 H ASN 54 H ASN 54 9.122 -20.392 4.340 373 HA ASN 54 HA ASN 54 9.917 -20.860 1.557 374 HB2 ASN 54 1HB ASN 54 8.435 -19.117 0.745 375 HB3 ASN 54 2HB ASN 54 7.490 -20.334 1.598 376 HD21 ASN 54 1HD2 ASN 54 5.806 -18.982 2.079 377 HD22 ASN 54 2HD2 ASN 54 5.934 -17.680 3.208 378 HA PRO 55 HA PRO 55 13.029 -17.865 2.353 379 HB2 PRO 55 1HB PRO 55 13.391 -16.843 -0.136 380 HB3 PRO 55 2HB PRO 55 13.937 -18.459 0.328 381 HG2 PRO 55 1HG PRO 55 11.472 -17.648 -1.164 382 HG3 PRO 55 2HG PRO 55 12.582 -18.994 -1.484 383 HD2 PRO 55 1HD PRO 55 10.206 -19.332 -0.231 384 HD3 PRO 55 2HD PRO 55 11.628 -20.331 0.133 385 H SER 56 H SER 56 13.565 -15.511 1.982 386 HA SER 56 HA SER 56 11.578 -13.863 2.973 387 HB2 SER 56 1HB SER 56 14.155 -13.314 1.534 388 HB3 SER 56 2HB SER 56 13.081 -11.982 1.960 389 HG SER 56 HG SER 56 13.694 -13.854 3.939 390 H GLN 57 H GLN 57 9.647 -13.734 1.970 391 HA GLN 57 HA GLN 57 9.582 -12.400 -0.620 392 HB2 GLN 57 1HB GLN 57 8.148 -15.004 -0.072 393 HB3 GLN 57 2HB GLN 57 7.879 -13.989 -1.483 394 HG2 GLN 57 1HG GLN 57 10.002 -14.437 -2.355 395 HG3 GLN 57 2HG GLN 57 10.593 -15.069 -0.819 396 HE21 GLN 57 1HE2 GLN 57 9.824 -15.979 -3.797 397 HE22 GLN 57 2HE2 GLN 57 9.261 -17.587 -3.513 398 H LEU 58 H LEU 58 7.831 -11.076 -0.902 399 HA LEU 58 HA LEU 58 5.759 -11.109 1.182 400 HB2 LEU 58 1HB LEU 58 7.584 -8.908 0.403 401 HB3 LEU 58 2HB LEU 58 5.906 -8.483 0.739 402 HG LEU 58 HG LEU 58 7.716 -9.928 2.672 403 HD11 LEU 58 1HD1 LEU 58 7.799 -7.777 3.869 404 HD12 LEU 58 2HD1 LEU 58 6.970 -7.012 2.514 405 HD13 LEU 58 3HD1 LEU 58 8.576 -7.704 2.287 406 HD21 LEU 58 1HD2 LEU 58 5.453 -8.476 3.742 407 HD22 LEU 58 2HD2 LEU 58 5.940 -10.152 3.993 408 HD23 LEU 58 3HD2 LEU 58 4.951 -9.720 2.597 409 H VAL 59 H VAL 59 3.811 -11.270 0.310 410 HA VAL 59 HA VAL 59 3.424 -10.758 -2.516 411 HB VAL 59 HB VAL 59 1.484 -11.761 -0.428 412 HG11 VAL 59 1HG1 VAL 59 0.919 -12.361 -3.223 413 HG12 VAL 59 2HG1 VAL 59 -0.148 -11.754 -1.956 414 HG13 VAL 59 3HG1 VAL 59 0.873 -10.636 -2.861 415 HG21 VAL 59 1HG2 VAL 59 1.857 -13.885 -1.937 416 HG22 VAL 59 2HG2 VAL 59 3.397 -13.097 -2.279 417 HG23 VAL 59 3HG2 VAL 59 2.964 -13.502 -0.618 418 H PHE 60 H PHE 60 2.327 -9.100 -3.407 419 HA PHE 60 HA PHE 60 1.178 -7.104 -1.568 420 HB2 PHE 60 1HB PHE 60 2.689 -6.758 -4.153 421 HB3 PHE 60 2HB PHE 60 1.689 -5.475 -3.479 422 HD1 PHE 60 1HD PHE 60 4.547 -7.705 -2.680 423 HD2 PHE 60 2HD PHE 60 2.549 -4.035 -1.871 424 HE1 PHE 60 1HE PHE 60 6.424 -7.001 -1.254 425 HE2 PHE 60 2HE PHE 60 4.423 -3.325 -0.445 426 HZ PHE 60 HZ PHE 60 6.365 -4.808 -0.135 427 H MET 61 H MET 61 -0.808 -6.238 -2.023 428 HA MET 61 HA MET 61 -2.195 -7.255 -4.411 429 HB2 MET 61 1HB MET 61 -4.231 -7.551 -3.092 430 HB3 MET 61 2HB MET 61 -2.923 -8.538 -2.453 431 HG2 MET 61 1HG MET 61 -2.760 -7.332 -0.529 432 HG3 MET 61 2HG MET 61 -3.330 -5.844 -1.283 433 HE1 MET 61 1HE MET 61 -5.840 -6.336 1.542 434 HE2 MET 61 2HE MET 61 -4.228 -5.771 1.104 435 HE3 MET 61 3HE MET 61 -5.650 -5.066 0.333 436 H ARG 62 H ARG 62 -3.903 -5.928 -5.209 437 HA ARG 62 HA ARG 62 -3.357 -3.127 -4.935 438 HB2 ARG 62 1HB ARG 62 -3.932 -3.901 -7.114 439 HB3 ARG 62 2HB ARG 62 -5.391 -4.685 -6.523 440 HG2 ARG 62 1HG ARG 62 -6.434 -2.563 -6.112 441 HG3 ARG 62 2HG ARG 62 -4.941 -1.710 -6.512 442 HD2 ARG 62 1HD ARG 62 -6.309 -1.549 -8.428 443 HD3 ARG 62 2HD ARG 62 -5.102 -2.780 -8.799 444 HE ARG 62 HE ARG 62 -7.949 -3.173 -8.450 445 HH11 ARG 62 2HH1 ARG 62 -4.797 -4.639 -8.634 446 HH12 ARG 62 1HH1 ARG 62 -5.407 -6.208 -9.047 447 HH21 ARG 62 2HH2 ARG 62 -8.765 -5.233 -8.994 448 HH22 ARG 62 1HH2 ARG 62 -7.664 -6.544 -9.252 449 H ILE 63 H ILE 63 -4.307 -1.709 -3.626 450 HA ILE 63 HA ILE 63 -6.749 -2.550 -2.209 451 HB ILE 63 HB ILE 63 -6.099 -0.963 -0.434 452 HG12 ILE 63 1HG1 ILE 63 -3.465 -0.733 -1.898 453 HG13 ILE 63 2HG1 ILE 63 -4.722 0.497 -1.961 454 HG21 ILE 63 1HG2 ILE 63 -4.854 -3.442 -1.087 455 HG22 ILE 63 2HG2 ILE 63 -3.678 -2.407 -0.279 456 HG23 ILE 63 3HG2 ILE 63 -5.216 -2.770 0.502 457 HD11 ILE 63 1HD1 ILE 63 -2.887 -0.234 0.243 458 HD12 ILE 63 2HD1 ILE 63 -3.441 1.350 -0.299 459 HD13 ILE 63 3HD1 ILE 63 -4.504 0.328 0.667 460 H TYR 64 H TYR 64 -5.169 0.090 -3.914 461 HA TYR 64 HA TYR 64 -7.780 1.444 -4.089 462 HB2 TYR 64 1HB TYR 64 -6.599 2.935 -2.759 463 HB3 TYR 64 2HB TYR 64 -5.061 2.568 -3.531 464 HD1 TYR 64 1HD TYR 64 -8.332 4.236 -4.134 465 HD2 TYR 64 2HD TYR 64 -4.225 3.962 -5.211 466 HE1 TYR 64 1HE TYR 64 -8.576 6.233 -5.549 467 HE2 TYR 64 2HE TYR 64 -4.458 5.959 -6.628 468 HH TYR 64 HH TYR 64 -7.094 7.091 -7.791 469 H CYS 65 H CYS 65 -8.454 2.023 -6.077 470 HA CYS 65 HA CYS 65 -6.550 1.767 -8.307 471 HB2 CYS 65 1HB CYS 65 -8.367 0.793 -9.672 472 HB3 CYS 65 2HB CYS 65 -7.959 -0.216 -8.290 473 HG CYS 65 HG CYS 65 -10.254 1.494 -7.028 474 H GLY 66 H GLY 66 -6.381 3.579 -9.441 475 HA2 GLY 66 1HA GLY 66 -8.414 5.057 -10.561 476 HA3 GLY 66 2HA GLY 66 -8.133 5.793 -8.990 477 H LEU 67 H LEU 67 -7.660 7.623 -10.560 478 HA LEU 67 HA LEU 67 -4.793 7.566 -11.234 479 HB2 LEU 67 1HB LEU 67 -5.374 9.236 -13.028 480 HB3 LEU 67 2HB LEU 67 -5.903 7.579 -13.307 481 HG LEU 67 HG LEU 67 -7.834 9.494 -12.093 482 HD11 LEU 67 1HD1 LEU 67 -8.515 10.056 -14.487 483 HD12 LEU 67 2HD1 LEU 67 -6.892 9.539 -14.942 484 HD13 LEU 67 3HD1 LEU 67 -7.107 10.888 -13.826 485 HD21 LEU 67 1HD2 LEU 67 -8.323 7.474 -14.249 486 HD22 LEU 67 2HD2 LEU 67 -9.437 8.102 -13.034 487 HD23 LEU 67 3HD2 LEU 67 -8.161 6.977 -12.565 488 H LYS 68 H LYS 68 -6.506 8.545 -8.888 489 HA LYS 68 HA LYS 68 -6.190 11.399 -8.898 490 HB2 LYS 68 1HB LYS 68 -7.918 9.977 -7.597 491 HB3 LYS 68 2HB LYS 68 -6.622 9.732 -6.434 492 HG2 LYS 68 1HG LYS 68 -7.604 11.550 -5.503 493 HG3 LYS 68 2HG LYS 68 -6.483 12.372 -6.590 494 HD2 LYS 68 1HD LYS 68 -8.361 12.377 -8.294 495 HD3 LYS 68 2HD LYS 68 -9.426 11.876 -6.979 496 HE2 LYS 68 1HE LYS 68 -8.611 13.899 -5.711 497 HE3 LYS 68 2HE LYS 68 -7.835 14.422 -7.205 498 HZ1 LYS 68 1HZ LYS 68 -10.644 13.705 -7.407 499 HZ2 LYS 68 2HZ LYS 68 -9.795 14.974 -8.135 500 HZ3 LYS 68 3HZ LYS 68 -10.304 15.110 -6.528 501 H THR 69 H THR 69 -3.905 9.197 -8.937 502 HA THR 69 HA THR 69 -1.810 8.913 -8.038 503 HB THR 69 HB THR 69 -0.615 11.202 -7.764 504 HG1 THR 69 1HG THR 69 -2.949 12.074 -9.140 505 HG21 THR 69 1HG2 THR 69 -0.305 11.375 -10.131 506 HG22 THR 69 2HG2 THR 69 -1.847 10.579 -10.447 507 HG23 THR 69 3HG2 THR 69 -0.510 9.667 -9.745 508 H SER 70 H SER 70 -4.046 9.171 -6.069 509 HA SER 70 HA SER 70 -2.483 9.144 -3.712 510 HB2 SER 70 1HB SER 70 -3.323 11.115 -2.580 511 HB3 SER 70 2HB SER 70 -2.574 11.610 -4.098 512 HG SER 70 HG SER 70 -4.651 11.754 -5.005 513 H CYS 71 H CYS 71 -3.595 8.286 -1.972 514 HA CYS 71 HA CYS 71 -6.480 7.996 -2.109 515 HB2 CYS 71 1HB CYS 71 -6.528 5.618 -2.105 516 HB3 CYS 71 2HB CYS 71 -5.466 6.085 -3.428 517 HG CYS 71 HG CYS 71 -3.127 5.669 -1.786 518 H THR 72 H THR 72 -7.247 6.660 -0.145 519 HA THR 72 HA THR 72 -5.530 7.276 2.170 520 HB THR 72 HB THR 72 -8.539 7.552 2.035 521 HG1 THR 72 1HG THR 72 -8.164 9.608 1.673 522 HG21 THR 72 1HG2 THR 72 -7.636 6.770 4.232 523 HG22 THR 72 2HG2 THR 72 -8.434 8.341 4.300 524 HG23 THR 72 3HG2 THR 72 -6.674 8.245 4.303 525 H VAL 73 H VAL 73 -5.207 5.665 3.580 526 HA VAL 73 HA VAL 73 -6.725 3.177 3.176 527 HB VAL 73 HB VAL 73 -4.003 3.581 4.423 528 HG11 VAL 73 1HG1 VAL 73 -3.874 1.293 4.817 529 HG12 VAL 73 2HG1 VAL 73 -5.526 1.689 5.295 530 HG13 VAL 73 3HG1 VAL 73 -5.217 0.931 3.733 531 HG21 VAL 73 1HG2 VAL 73 -3.906 1.854 2.204 532 HG22 VAL 73 2HG2 VAL 73 -4.853 3.256 1.708 533 HG23 VAL 73 3HG2 VAL 73 -3.223 3.474 2.345 534 H THR 74 H THR 74 -7.850 2.267 4.807 535 HA THR 74 HA THR 74 -8.032 3.785 7.305 536 HB THR 74 HB THR 74 -10.108 2.521 7.712 537 HG1 THR 74 1HG THR 74 -9.107 0.973 5.728 538 HG21 THR 74 1HG2 THR 74 -10.757 3.340 5.020 539 HG22 THR 74 2HG2 THR 74 -9.680 4.505 5.791 540 HG23 THR 74 3HG2 THR 74 -11.211 4.078 6.556 541 H ALA 75 H ALA 75 -8.570 2.361 9.278 542 HA ALA 75 HA ALA 75 -6.324 0.820 9.913 543 HB1 ALA 75 1HB ALA 75 -7.220 0.621 12.001 544 HB2 ALA 75 2HB ALA 75 -8.175 1.978 11.402 545 HB3 ALA 75 3HB ALA 75 -8.855 0.350 11.397 546 H GLY 76 H GLY 76 -9.670 -0.263 9.288 547 HA2 GLY 76 1HA GLY 76 -9.551 -2.925 9.555 548 HA3 GLY 76 2HA GLY 76 -10.367 -2.187 8.184 549 H GLN 77 H GLN 77 -8.534 -1.350 6.518 550 HA GLN 77 HA GLN 77 -7.467 -3.720 5.401 551 HB2 GLN 77 1HB GLN 77 -6.880 -0.832 4.725 552 HB3 GLN 77 2HB GLN 77 -6.431 -2.215 3.736 553 HG2 GLN 77 1HG GLN 77 -9.028 -2.703 3.901 554 HG3 GLN 77 2HG GLN 77 -9.080 -0.960 4.159 555 HE21 GLN 77 1HE2 GLN 77 -8.458 -3.508 1.917 556 HE22 GLN 77 2HE2 GLN 77 -8.294 -2.519 0.510 557 H LEU 78 H LEU 78 -5.991 -1.005 7.131 558 HA LEU 78 HA LEU 78 -3.325 -1.542 6.837 559 HB2 LEU 78 1HB LEU 78 -4.957 -0.397 9.039 560 HB3 LEU 78 2HB LEU 78 -3.274 -0.791 9.380 561 HG LEU 78 HG LEU 78 -4.171 1.049 7.164 562 HD11 LEU 78 1HD1 LEU 78 -3.361 2.859 8.629 563 HD12 LEU 78 2HD1 LEU 78 -3.164 1.689 9.933 564 HD13 LEU 78 3HD1 LEU 78 -4.770 2.028 9.288 565 HD21 LEU 78 1HD2 LEU 78 -1.991 1.353 6.649 566 HD22 LEU 78 2HD2 LEU 78 -1.842 -0.271 7.321 567 HD23 LEU 78 3HD2 LEU 78 -1.452 1.134 8.314 568 H ALA 79 H ALA 79 -5.557 -3.039 9.151 569 HA ALA 79 HA ALA 79 -3.847 -4.565 10.649 570 HB1 ALA 79 1HB ALA 79 -6.184 -4.514 11.153 571 HB2 ALA 79 2HB ALA 79 -6.584 -5.287 9.618 572 HB3 ALA 79 3HB ALA 79 -5.724 -6.192 10.864 573 H ASN 80 H ASN 80 -5.046 -5.238 7.396 574 HA ASN 80 HA ASN 80 -3.895 -7.838 7.221 575 HB2 ASN 80 1HB ASN 80 -4.596 -6.052 4.891 576 HB3 ASN 80 2HB ASN 80 -4.562 -7.812 4.934 577 HD21 ASN 80 1HD2 ASN 80 -6.723 -6.087 4.134 578 HD22 ASN 80 2HD2 ASN 80 -8.052 -6.436 5.181 579 H ALA 81 H ALA 81 -2.732 -4.617 6.687 580 HA ALA 81 HA ALA 81 -0.598 -5.070 4.960 581 HB1 ALA 81 1HB ALA 81 -0.359 -3.139 7.233 582 HB2 ALA 81 2HB ALA 81 0.191 -2.977 5.565 583 HB3 ALA 81 3HB ALA 81 -1.528 -2.863 5.941 584 H HIS 82 H HIS 82 1.505 -5.709 5.214 585 HA HIS 82 HA HIS 82 2.093 -7.197 7.654 586 HB2 HIS 82 1HB HIS 82 2.452 -8.420 5.617 587 HB3 HIS 82 2HB HIS 82 3.433 -7.120 4.947 588 HD1 HIS 82 1HD HIS 82 3.957 -10.323 6.061 589 HD2 HIS 82 2HD HIS 82 5.696 -6.703 7.124 590 HE1 HIS 82 1HE HIS 82 6.177 -10.917 7.082 591 HE2 HIS 82 2HE HIS 82 7.173 -8.717 7.795 592 H ILE 83 H ILE 83 3.173 -6.232 9.231 593 HA ILE 83 HA ILE 83 4.848 -3.916 8.637 594 HB ILE 83 HB ILE 83 3.972 -5.057 11.293 595 HG12 ILE 83 1HG1 ILE 83 3.074 -2.538 9.881 596 HG13 ILE 83 2HG1 ILE 83 2.172 -4.049 9.874 597 HG21 ILE 83 1HG2 ILE 83 6.010 -3.136 10.604 598 HG22 ILE 83 2HG2 ILE 83 4.762 -2.405 11.611 599 HG23 ILE 83 3HG2 ILE 83 5.616 -3.844 12.170 600 HD11 ILE 83 1HD1 ILE 83 2.582 -2.092 12.065 601 HD12 ILE 83 2HD1 ILE 83 1.122 -2.947 11.565 602 HD13 ILE 83 3HD1 ILE 83 2.370 -3.792 12.480 603 H ASP 84 H ASP 84 6.992 -4.016 8.558 604 HA ASP 84 HA ASP 84 8.327 -6.514 9.178 605 HB2 ASP 84 1HB ASP 84 8.868 -5.299 7.101 606 HB3 ASP 84 2HB ASP 84 9.441 -3.934 8.057 607 H TYR 85 H TYR 85 9.222 -6.933 11.077 608 HA TYR 85 HA TYR 85 9.989 -4.668 12.799 609 HB2 TYR 85 1HB TYR 85 8.905 -7.397 13.473 610 HB3 TYR 85 2HB TYR 85 9.729 -6.403 14.670 611 HD1 TYR 85 1HD TYR 85 8.796 -3.985 14.978 612 HD2 TYR 85 2HD TYR 85 6.615 -7.168 13.184 613 HE1 TYR 85 1HE TYR 85 6.692 -2.801 15.448 614 HE2 TYR 85 2HE TYR 85 4.505 -5.992 13.648 615 HH TYR 85 HH TYR 85 4.027 -3.833 15.746 616 H THR 86 H THR 86 11.745 -5.622 10.840 617 HA THR 86 HA THR 86 13.629 -7.409 12.139 618 HB THR 86 HB THR 86 13.793 -5.989 9.473 619 HG1 THR 86 1HG THR 86 13.082 -7.892 8.633 620 HG21 THR 86 1HG2 THR 86 15.822 -6.931 9.093 621 HG22 THR 86 2HG2 THR 86 15.455 -8.366 10.051 622 HG23 THR 86 3HG2 THR 86 15.928 -6.868 10.852 623 H SER 87 H SER 87 13.831 -4.142 10.709 624 HA SER 87 HA SER 87 15.978 -3.543 12.635 625 HB2 SER 87 1HB SER 87 16.689 -1.792 10.977 626 HB3 SER 87 2HB SER 87 16.837 -3.447 10.386 627 HG SER 87 HG SER 87 15.461 -1.442 9.324 628 H ARG 88 H ARG 88 13.186 -2.162 10.936 629 HA ARG 88 HA ARG 88 12.607 -0.530 13.278 630 HB2 ARG 88 1HB ARG 88 14.062 0.750 11.553 631 HB3 ARG 88 2HB ARG 88 12.595 0.799 10.585 632 HG2 ARG 88 1HG ARG 88 11.486 2.158 12.104 633 HG3 ARG 88 2HG ARG 88 12.580 1.740 13.424 634 HD2 ARG 88 1HD ARG 88 13.468 3.251 10.979 635 HD3 ARG 88 2HD ARG 88 12.853 4.050 12.425 636 HE ARG 88 HE ARG 88 15.022 2.205 12.896 637 HH11 ARG 88 2HH1 ARG 88 14.116 5.487 12.170 638 HH12 ARG 88 1HH1 ARG 88 15.593 6.166 12.772 639 HH21 ARG 88 2HH2 ARG 88 16.970 3.086 13.692 640 HH22 ARG 88 1HH2 ARG 88 17.215 4.799 13.636 641 HA PRO 89 HA PRO 89 8.549 -1.914 12.191 642 HB2 PRO 89 1HB PRO 89 7.174 -0.366 13.948 643 HB3 PRO 89 2HB PRO 89 8.086 -1.799 14.439 644 HG2 PRO 89 1HG PRO 89 8.867 1.087 14.586 645 HG3 PRO 89 2HG PRO 89 9.091 -0.195 15.790 646 HD2 PRO 89 1HD PRO 89 11.086 0.634 14.158 647 HD3 PRO 89 2HD PRO 89 10.953 -1.042 14.728 648 H ALA 90 H ALA 90 8.283 -1.115 10.102 649 HA ALA 90 HA ALA 90 6.779 1.390 9.941 650 HB1 ALA 90 1HB ALA 90 8.083 1.871 7.775 651 HB2 ALA 90 2HB ALA 90 8.856 2.236 9.319 652 HB3 ALA 90 3HB ALA 90 9.296 0.774 8.435 653 H ILE 91 H ILE 91 5.466 1.571 8.034 654 HA ILE 91 HA ILE 91 4.537 -1.024 7.114 655 HB ILE 91 HB ILE 91 3.426 1.740 6.612 656 HG12 ILE 91 1HG1 ILE 91 2.486 -0.463 8.462 657 HG13 ILE 91 2HG1 ILE 91 3.308 1.009 8.968 658 HG21 ILE 91 1HG2 ILE 91 1.887 -0.782 6.196 659 HG22 ILE 91 2HG2 ILE 91 1.655 0.809 5.473 660 HG23 ILE 91 3HG2 ILE 91 2.986 -0.216 4.938 661 HD11 ILE 91 1HD1 ILE 91 0.951 1.223 9.356 662 HD12 ILE 91 2HD1 ILE 91 1.428 2.321 8.061 663 HD13 ILE 91 3HD1 ILE 91 0.599 0.812 7.678 664 H VAL 92 H VAL 92 4.623 -1.771 5.048 665 HA VAL 92 HA VAL 92 6.416 -0.350 3.230 666 HB VAL 92 HB VAL 92 5.336 -3.169 3.105 667 HG11 VAL 92 1HG1 VAL 92 5.737 -2.471 0.874 668 HG12 VAL 92 2HG1 VAL 92 7.252 -1.684 1.320 669 HG13 VAL 92 3HG1 VAL 92 7.127 -3.443 1.355 670 HG21 VAL 92 1HG2 VAL 92 8.158 -3.054 3.343 671 HG22 VAL 92 2HG2 VAL 92 7.469 -2.015 4.590 672 HG23 VAL 92 3HG2 VAL 92 6.987 -3.708 4.489 673 H PHE 93 H PHE 93 5.850 0.324 1.204 674 HA PHE 93 HA PHE 93 3.113 -0.167 0.285 675 HB2 PHE 93 1HB PHE 93 4.371 2.515 0.796 676 HB3 PHE 93 2HB PHE 93 3.107 2.331 -0.415 677 HD1 PHE 93 2HD PHE 93 0.851 1.536 0.281 678 HD2 PHE 93 1HD PHE 93 3.869 2.575 3.097 679 HE1 PHE 93 2HE PHE 93 -0.860 1.731 2.038 680 HE2 PHE 93 1HE PHE 93 2.162 2.770 4.859 681 HZ PHE 93 HZ PHE 93 -0.206 2.349 4.330 682 H ARG 94 H ARG 94 2.829 -0.082 -1.946 683 HA ARG 94 HA ARG 94 5.256 0.327 -3.555 684 HB2 ARG 94 1HB ARG 94 3.482 -2.067 -3.422 685 HB3 ARG 94 2HB ARG 94 4.158 -1.621 -4.983 686 HG2 ARG 94 1HG ARG 94 6.421 -1.606 -3.810 687 HG3 ARG 94 2HG ARG 94 5.602 -2.438 -2.487 688 HD2 ARG 94 1HD ARG 94 4.825 -4.129 -4.189 689 HD3 ARG 94 2HD ARG 94 5.924 -3.360 -5.334 690 HE ARG 94 HE ARG 94 6.636 -5.046 -3.093 691 HH11 ARG 94 2HH1 ARG 94 7.712 -2.729 -5.459 692 HH12 ARG 94 1HH1 ARG 94 9.376 -3.198 -5.353 693 HH21 ARG 94 2HH2 ARG 94 8.824 -5.673 -2.945 694 HH22 ARG 94 1HH2 ARG 94 10.008 -4.873 -3.923 695 H ILE 95 H ILE 95 4.974 1.418 -5.426 696 HA ILE 95 HA ILE 95 2.261 1.808 -6.454 697 HB ILE 95 HB ILE 95 4.158 4.087 -5.881 698 HG12 ILE 95 1HG1 ILE 95 1.403 3.784 -4.733 699 HG13 ILE 95 2HG1 ILE 95 2.763 2.957 -3.981 700 HG21 ILE 95 1HG2 ILE 95 2.156 5.462 -6.602 701 HG22 ILE 95 2HG2 ILE 95 3.023 4.612 -7.879 702 HG23 ILE 95 3HG2 ILE 95 1.497 3.970 -7.272 703 HD11 ILE 95 1HD1 ILE 95 2.521 5.924 -4.421 704 HD12 ILE 95 2HD1 ILE 95 2.314 5.072 -2.890 705 HD13 ILE 95 3HD1 ILE 95 3.892 5.100 -3.678 706 H SER 96 H SER 96 2.135 2.134 -8.649 707 HA SER 96 HA SER 96 4.539 2.579 -10.205 708 HB2 SER 96 1HB SER 96 4.222 0.539 -11.577 709 HB3 SER 96 2HB SER 96 4.615 0.158 -9.901 710 HG SER 96 HG SER 96 2.271 -0.039 -9.605 711 H ALA 97 H ALA 97 3.913 2.410 -12.651 712 HA ALA 97 HA ALA 97 1.207 3.517 -13.013 713 HB1 ALA 97 1HB ALA 97 2.329 5.463 -13.310 714 HB2 ALA 97 2HB ALA 97 3.827 4.659 -13.780 715 HB3 ALA 97 3HB ALA 97 2.511 4.822 -14.943 716 H LYS 98 H LYS 98 0.046 2.641 -14.614 717 HA LYS 98 HA LYS 98 1.423 0.794 -16.449 718 HB2 LYS 98 1HB LYS 98 -0.108 -0.414 -15.061 719 HB3 LYS 98 2HB LYS 98 -1.385 0.762 -15.341 720 HG2 LYS 98 1HG LYS 98 -1.571 0.075 -17.645 721 HG3 LYS 98 2HG LYS 98 -0.204 -1.025 -17.458 722 HD2 LYS 98 1HD LYS 98 -1.458 -2.349 -15.854 723 HD3 LYS 98 2HD LYS 98 -2.810 -1.218 -15.947 724 HE2 LYS 98 1HE LYS 98 -3.074 -1.759 -18.330 725 HE3 LYS 98 2HE LYS 98 -1.746 -2.912 -18.206 726 HZ1 LYS 98 1HZ LYS 98 -3.163 -4.439 -17.503 727 HZ2 LYS 98 2HZ LYS 98 -4.445 -3.350 -17.680 728 HZ3 LYS 98 3HZ LYS 98 -3.633 -3.468 -16.200 729 H ASN 99 H ASN 99 1.296 1.126 -18.586 730 HA ASN 99 HA ASN 99 -0.318 3.396 -19.509 731 HB2 ASN 99 1HB ASN 99 1.930 1.997 -20.971 732 HB3 ASN 99 2HB ASN 99 1.179 3.532 -21.397 733 HD21 ASN 99 1HD2 ASN 99 3.926 3.174 -21.025 734 HD22 ASN 99 2HD2 ASN 99 4.415 4.101 -19.652 735 H GLU 100 H GLU 100 0.842 0.418 -21.084 736 HA GLU 100 HA GLU 100 -1.922 -0.124 -21.930 737 HB2 GLU 100 1HB GLU 100 0.527 0.157 -23.607 738 HB3 GLU 100 2HB GLU 100 -0.658 -1.055 -24.071 739 HG2 GLU 100 1HG GLU 100 -1.571 1.721 -23.503 740 HG3 GLU 100 2HG GLU 100 -0.770 1.369 -25.034 741 H LYS 101 H LYS 101 1.343 -1.561 -22.033 742 HA LYS 101 HA LYS 101 0.425 -4.232 -21.961 743 HB2 LYS 101 1HB LYS 101 3.089 -2.940 -21.430 744 HB3 LYS 101 2HB LYS 101 2.857 -4.670 -21.210 745 HG2 LYS 101 1HG LYS 101 2.100 -3.363 -23.789 746 HG3 LYS 101 2HG LYS 101 3.781 -3.786 -23.454 747 HD2 LYS 101 1HD LYS 101 2.859 -6.116 -22.871 748 HD3 LYS 101 2HD LYS 101 1.398 -5.593 -23.711 749 HE2 LYS 101 1HE LYS 101 2.760 -6.767 -25.280 750 HE3 LYS 101 2HE LYS 101 2.826 -5.053 -25.689 751 HZ1 LYS 101 1HZ LYS 101 4.921 -6.800 -24.658 752 HZ2 LYS 101 2HZ LYS 101 4.923 -5.202 -24.104 753 HZ3 LYS 101 3HZ LYS 101 5.024 -5.522 -25.762 754 H GLY 102 H GLY 102 2.052 -2.322 -19.415 755 HA2 GLY 102 1HA GLY 102 0.273 -3.147 -17.373 756 HA3 GLY 102 2HA GLY 102 1.712 -4.156 -17.344 757 H TYR 103 H TYR 103 2.176 -3.317 -15.247 758 HA TYR 103 HA TYR 103 2.874 -0.489 -15.081 759 HB2 TYR 103 1HB TYR 103 2.844 -2.652 -12.966 760 HB3 TYR 103 2HB TYR 103 3.214 -0.956 -12.670 761 HD1 TYR 103 1HD TYR 103 0.550 -3.322 -13.627 762 HD2 TYR 103 2HD TYR 103 1.478 0.675 -12.502 763 HE1 TYR 103 1HE TYR 103 -1.844 -2.866 -13.297 764 HE2 TYR 103 2HE TYR 103 -0.914 1.142 -12.167 765 HH TYR 103 HH TYR 103 -3.273 -0.394 -13.375 766 H GLY 104 H GLY 104 4.934 0.268 -14.581 767 HA2 GLY 104 1HA GLY 104 7.088 -1.439 -15.509 768 HA3 GLY 104 2HA GLY 104 7.201 0.273 -15.126 769 HA PRO 105 HA PRO 105 9.533 -1.516 -11.715 770 HB2 PRO 105 1HB PRO 105 10.703 0.826 -10.998 771 HB3 PRO 105 2HB PRO 105 11.280 -0.163 -12.345 772 HG2 PRO 105 1HG PRO 105 9.545 2.277 -12.392 773 HG3 PRO 105 2HG PRO 105 10.902 1.848 -13.450 774 HD2 PRO 105 1HD PRO 105 8.317 1.518 -14.189 775 HD3 PRO 105 2HD PRO 105 9.613 0.438 -14.740 776 H ALA 106 H ALA 106 8.869 -1.773 -9.673 777 HA ALA 106 HA ALA 106 6.877 0.099 -8.612 778 HB1 ALA 106 1HB ALA 106 6.102 -2.153 -8.640 779 HB2 ALA 106 2HB ALA 106 7.572 -2.731 -7.854 780 HB3 ALA 106 3HB ALA 106 6.429 -1.729 -6.959 781 H THR 107 H THR 107 7.437 1.523 -7.112 782 HA THR 107 HA THR 107 10.045 1.372 -5.863 783 HB THR 107 HB THR 107 7.876 3.464 -5.596 784 HG1 THR 107 1HG THR 107 9.735 4.561 -6.878 785 HG21 THR 107 1HG2 THR 107 9.994 3.037 -3.893 786 HG22 THR 107 2HG2 THR 107 9.155 4.571 -4.123 787 HG23 THR 107 3HG2 THR 107 10.634 4.231 -5.021 788 H GLN 108 H GLN 108 10.475 0.952 -3.757 789 HA GLN 108 HA GLN 108 8.194 0.149 -2.079 790 HB2 GLN 108 1HB GLN 108 9.941 -1.582 -2.730 791 HB3 GLN 108 2HB GLN 108 11.064 -0.698 -1.705 792 HG2 GLN 108 1HG GLN 108 9.321 -1.003 0.144 793 HG3 GLN 108 2HG GLN 108 8.606 -2.215 -0.918 794 HE21 GLN 108 1HE2 GLN 108 9.053 -3.806 0.649 795 HE22 GLN 108 2HE2 GLN 108 10.646 -4.442 0.850 796 H ILE 109 H ILE 109 7.703 1.492 -0.488 797 HA ILE 109 HA ILE 109 9.861 3.102 0.712 798 HB ILE 109 HB ILE 109 8.249 4.469 -0.574 799 HG12 ILE 109 1HG1 ILE 109 7.797 5.065 2.334 800 HG13 ILE 109 2HG1 ILE 109 9.420 5.150 1.657 801 HG21 ILE 109 1HG2 ILE 109 6.076 4.033 -0.504 802 HG22 ILE 109 2HG2 ILE 109 6.358 2.792 0.716 803 HG23 ILE 109 3HG2 ILE 109 6.042 4.456 1.207 804 HD11 ILE 109 1HD1 ILE 109 7.212 6.605 0.296 805 HD12 ILE 109 2HD1 ILE 109 7.906 7.269 1.775 806 HD13 ILE 109 3HD1 ILE 109 8.934 6.978 0.372 807 H ARG 110 H ARG 110 9.972 3.242 2.917 808 HA ARG 110 HA ARG 110 8.165 1.458 4.406 809 HB2 ARG 110 1HB ARG 110 11.064 2.095 4.648 810 HB3 ARG 110 2HB ARG 110 10.178 1.748 6.127 811 HG2 ARG 110 1HG ARG 110 9.774 -0.438 5.536 812 HG3 ARG 110 2HG ARG 110 9.948 -0.113 3.810 813 HD2 ARG 110 1HD ARG 110 12.387 0.337 4.262 814 HD3 ARG 110 2HD ARG 110 12.121 -0.295 5.886 815 HE ARG 110 HE ARG 110 11.175 -2.179 4.055 816 HH11 ARG 110 2HH1 ARG 110 14.187 -0.748 5.054 817 HH12 ARG 110 1HH1 ARG 110 15.133 -2.143 4.653 818 HH21 ARG 110 2HH2 ARG 110 12.409 -4.022 3.523 819 HH22 ARG 110 1HH2 ARG 110 14.121 -4.005 3.782 820 H TRP 111 H TRP 111 6.547 2.888 4.940 821 HA TRP 111 HA TRP 111 7.095 5.484 6.024 822 HB2 TRP 111 1HB TRP 111 5.027 4.952 4.749 823 HB3 TRP 111 2HB TRP 111 4.511 3.910 6.074 824 HD1 TRP 111 HD TRP 111 5.701 7.614 5.855 825 HE1 TRP 111 1HE TRP 111 4.102 9.033 7.287 826 HE3 TRP 111 3HE TRP 111 2.586 3.911 7.506 827 HZ2 TRP 111 2HZ TRP 111 1.823 8.636 8.904 828 HZ3 TRP 111 3HZ TRP 111 0.721 4.515 8.993 829 HH2 TRP 111 HH TRP 111 0.349 6.829 9.677 830 H LEU 112 H LEU 112 7.764 5.871 8.020 831 HA LEU 112 HA LEU 112 7.714 3.858 10.054 832 HB2 LEU 112 1HB LEU 112 8.501 6.764 10.107 833 HB3 LEU 112 2HB LEU 112 8.669 5.675 11.483 834 HG LEU 112 HG LEU 112 10.027 5.193 8.839 835 HD11 LEU 112 1HD1 LEU 112 12.048 5.988 10.347 836 HD12 LEU 112 2HD1 LEU 112 10.782 6.954 11.106 837 HD13 LEU 112 3HD1 LEU 112 11.106 7.123 9.380 838 HD21 LEU 112 1HD2 LEU 112 11.101 3.467 9.851 839 HD22 LEU 112 2HD2 LEU 112 9.613 3.439 10.798 840 HD23 LEU 112 3HD2 LEU 112 11.056 4.224 11.443 841 H GLN 113 H GLN 113 6.092 3.423 11.381 842 HA GLN 113 HA GLN 113 3.659 4.766 11.422 843 HB2 GLN 113 1HB GLN 113 4.929 2.920 13.442 844 HB3 GLN 113 2HB GLN 113 3.281 3.514 13.596 845 HG2 GLN 113 1HG GLN 113 2.924 2.546 11.249 846 HG3 GLN 113 2HG GLN 113 4.426 1.669 11.537 847 HE21 GLN 113 1HE2 GLN 113 1.159 2.189 12.709 848 HE22 GLN 113 2HE2 GLN 113 1.011 0.676 13.529 849 H GLY 114 H GLY 114 3.129 6.697 12.184 850 HA2 GLY 114 1HA GLY 114 4.901 8.177 13.887 851 HA3 GLY 114 2HA GLY 114 3.335 8.711 13.295 852 H ASN 115 H ASN 115 3.936 9.410 15.794 853 HA ASN 115 HA ASN 115 2.294 7.593 17.430 854 HB2 ASN 115 1HB ASN 115 3.638 8.285 19.398 855 HB3 ASN 115 2HB ASN 115 4.594 7.429 18.192 856 HD21 ASN 115 1HD2 ASN 115 5.152 9.520 20.328 857 HD22 ASN 115 2HD2 ASN 115 6.095 10.709 19.502 858 H SER 116 H SER 116 0.467 8.870 16.841 859 HA SER 116 HA SER 116 -0.002 11.046 18.644 860 HB2 SER 116 1HB SER 116 -0.380 12.800 17.060 861 HB3 SER 116 2HB SER 116 1.214 12.134 16.709 862 HG SER 116 HG SER 116 -0.591 10.768 15.313 863 H LYS 117 H LYS 117 -2.183 11.491 18.914 864 HA LYS 117 HA LYS 117 -4.099 10.127 17.178 865 HB2 LYS 117 1HB LYS 117 -3.755 9.633 20.126 866 HB3 LYS 117 2HB LYS 117 -5.299 9.365 19.329 867 HG2 LYS 117 1HG LYS 117 -4.489 7.600 18.066 868 HG3 LYS 117 2HG LYS 117 -2.808 8.100 18.266 869 HD2 LYS 117 1HD LYS 117 -2.946 6.281 19.689 870 HD3 LYS 117 2HD LYS 117 -3.245 7.630 20.787 871 HE2 LYS 117 1HE LYS 117 -5.542 6.289 19.428 872 HE3 LYS 117 2HE LYS 117 -4.792 5.524 20.828 873 HZ1 LYS 117 1HZ LYS 117 -6.507 7.830 20.698 874 HZ2 LYS 117 2HZ LYS 117 -5.126 8.077 21.644 875 HZ3 LYS 117 3HZ LYS 117 -6.177 6.800 21.999 876 H SER 118 H SER 118 -5.241 11.830 16.493 877 HA SER 118 HA SER 118 -6.479 13.547 18.530 878 HB2 SER 118 1HB SER 118 -4.716 14.915 17.673 879 HB3 SER 118 2HB SER 118 -5.080 14.455 16.010 880 HG SER 118 HG SER 118 -6.009 16.420 16.286 881 H GLY 119 H GLY 119 -8.463 14.576 17.837 882 HA2 GLY 119 1HA GLY 119 -9.803 14.413 15.491 883 HA3 GLY 119 2HA GLY 119 -10.029 12.809 16.173 884 HA PRO 120 HA PRO 120 -12.340 16.219 18.795 885 HB2 PRO 120 1HB PRO 120 -13.446 18.112 17.194 886 HB3 PRO 120 2HB PRO 120 -11.855 18.296 17.941 887 HG2 PRO 120 1HG PRO 120 -12.553 17.458 15.153 888 HG3 PRO 120 2HG PRO 120 -11.286 18.570 15.702 889 HD2 PRO 120 1HD PRO 120 -10.772 16.002 15.014 890 HD3 PRO 120 2HD PRO 120 -9.852 16.856 16.270 891 H SER 121 H SER 121 -14.737 16.746 18.810 892 HA SER 121 HA SER 121 -16.192 14.479 17.953 893 HB2 SER 121 1HB SER 121 -16.816 15.752 19.957 894 HB3 SER 121 2HB SER 121 -17.211 17.150 18.956 895 HG SER 121 HG SER 121 -18.984 16.159 18.236 896 H SER 122 H SER 122 -16.973 14.044 16.010 897 HA SER 122 HA SER 122 -18.361 15.975 14.436 898 HB2 SER 122 1HB SER 122 -15.780 16.329 14.049 899 HB3 SER 122 2HB SER 122 -15.948 14.907 13.019 900 HG SER 122 HG SER 122 -16.974 16.071 11.596 901 H GLY 123 H GLY 123 -19.462 15.045 12.661 902 HA2 GLY 123 1HA GLY 123 -20.799 13.300 11.910 903 HA3 GLY 123 2HA GLY 123 -19.231 12.693 11.400 Start of MODEL 10 1 H1 GLY 1 H GLY 1 14.603 5.515 -33.092 2 HA2 GLY 1 1HA GLY 1 14.584 3.035 -34.299 3 HA3 GLY 1 2HA GLY 1 15.044 3.308 -32.626 4 H SER 2 H SER 2 14.138 1.081 -32.452 5 HA SER 2 HA SER 2 11.236 0.910 -32.524 6 HB2 SER 2 1HB SER 2 13.479 -1.031 -32.254 7 HB3 SER 2 2HB SER 2 11.932 -1.475 -31.533 8 HG SER 2 HG SER 2 11.178 -1.827 -33.456 9 H SER 3 H SER 3 12.136 2.785 -30.689 10 HA SER 3 HA SER 3 12.349 1.709 -28.060 11 HB2 SER 3 1HB SER 3 11.542 4.509 -28.877 12 HB3 SER 3 2HB SER 3 12.150 4.007 -27.299 13 HG SER 3 HG SER 3 13.510 4.459 -29.669 14 H GLY 4 H GLY 4 10.632 0.328 -27.674 15 HA2 GLY 4 1HA GLY 4 7.988 1.639 -27.500 16 HA3 GLY 4 2HA GLY 4 8.185 -0.040 -27.978 17 H SER 5 H SER 5 10.031 -0.922 -26.128 18 HA SER 5 HA SER 5 8.346 -1.196 -23.809 19 HB2 SER 5 1HB SER 5 9.862 -2.896 -23.099 20 HB3 SER 5 2HB SER 5 9.724 -3.061 -24.850 21 HG SER 5 HG SER 5 11.742 -2.436 -25.084 22 H SER 6 H SER 6 9.069 1.437 -24.035 23 HA SER 6 HA SER 6 11.375 2.097 -22.500 24 HB2 SER 6 1HB SER 6 10.264 3.619 -24.166 25 HB3 SER 6 2HB SER 6 8.953 3.837 -23.007 26 HG SER 6 HG SER 6 11.680 4.545 -22.692 27 H GLY 7 H GLY 7 7.904 1.944 -21.767 28 HA2 GLY 7 1HA GLY 7 7.025 1.230 -19.692 29 HA3 GLY 7 2HA GLY 7 8.581 1.564 -18.946 30 HA PRO 8 HA PRO 8 5.409 5.192 -18.680 31 HB2 PRO 8 1HB PRO 8 3.979 4.518 -16.473 32 HB3 PRO 8 2HB PRO 8 3.474 4.092 -18.113 33 HG2 PRO 8 1HG PRO 8 4.872 2.415 -16.065 34 HG3 PRO 8 2HG PRO 8 3.535 1.978 -17.145 35 HD2 PRO 8 1HD PRO 8 6.103 1.285 -17.653 36 HD3 PRO 8 2HD PRO 8 4.934 1.632 -18.943 37 H GLY 9 H GLY 9 7.729 3.589 -16.872 38 HA2 GLY 9 1HA GLY 9 9.258 4.345 -15.330 39 HA3 GLY 9 2HA GLY 9 8.626 5.962 -15.602 40 H ALA 10 H ALA 10 9.463 4.764 -13.099 41 HA ALA 10 HA ALA 10 7.006 4.287 -11.624 42 HB1 ALA 10 1HB ALA 10 8.817 2.903 -10.983 43 HB2 ALA 10 2HB ALA 10 9.907 4.281 -10.825 44 HB3 ALA 10 3HB ALA 10 8.588 4.063 -9.674 45 HA PRO 11 HA PRO 11 6.390 8.393 -10.191 46 HB2 PRO 11 1HB PRO 11 5.314 7.918 -7.744 47 HB3 PRO 11 2HB PRO 11 4.435 7.635 -9.251 48 HG2 PRO 11 1HG PRO 11 5.880 5.680 -7.504 49 HG3 PRO 11 2HG PRO 11 4.304 5.516 -8.300 50 HD2 PRO 11 1HD PRO 11 6.561 4.397 -9.294 51 HD3 PRO 11 2HD PRO 11 5.246 4.981 -10.334 52 H SER 12 H SER 12 7.203 9.981 -8.793 53 HA SER 12 HA SER 12 9.231 9.125 -6.851 54 HB2 SER 12 1HB SER 12 9.650 11.301 -8.916 55 HB3 SER 12 2HB SER 12 10.793 10.832 -7.658 56 HG SER 12 HG SER 12 11.484 9.635 -9.289 57 H THR 13 H THR 13 9.806 10.797 -5.295 58 HA THR 13 HA THR 13 9.348 12.482 -3.827 59 HB THR 13 HB THR 13 7.325 13.575 -5.777 60 HG1 THR 13 1HG THR 13 8.995 14.590 -6.831 61 HG21 THR 13 1HG2 THR 13 9.161 15.125 -3.980 62 HG22 THR 13 2HG2 THR 13 7.647 14.458 -3.370 63 HG23 THR 13 3HG2 THR 13 7.628 15.620 -4.696 64 H VAL 14 H VAL 14 8.081 10.074 -3.472 65 HA VAL 14 HA VAL 14 5.260 10.375 -3.111 66 HB VAL 14 HB VAL 14 7.160 8.290 -2.028 67 HG11 VAL 14 1HG1 VAL 14 4.192 8.601 -1.834 68 HG12 VAL 14 2HG1 VAL 14 4.915 6.992 -1.880 69 HG13 VAL 14 3HG1 VAL 14 5.352 8.120 -0.596 70 HG21 VAL 14 1HG2 VAL 14 5.197 7.580 -4.091 71 HG22 VAL 14 2HG2 VAL 14 6.448 8.706 -4.620 72 HG23 VAL 14 3HG2 VAL 14 6.899 7.141 -3.943 73 H ARG 15 H ARG 15 4.164 11.123 -1.405 74 HA ARG 15 HA ARG 15 5.585 11.471 1.145 75 HB2 ARG 15 1HB ARG 15 3.762 13.518 -0.133 76 HB3 ARG 15 2HB ARG 15 4.529 13.661 1.443 77 HG2 ARG 15 1HG ARG 15 6.697 13.798 0.456 78 HG3 ARG 15 2HG ARG 15 6.050 13.407 -1.139 79 HD2 ARG 15 1HD ARG 15 6.207 15.681 -1.319 80 HD3 ARG 15 2HD ARG 15 4.568 15.536 -0.686 81 HE ARG 15 HE ARG 15 6.879 16.609 0.681 82 HH11 ARG 15 2HH1 ARG 15 3.650 15.343 0.976 83 HH12 ARG 15 1HH1 ARG 15 3.354 16.096 2.508 84 HH21 ARG 15 2HH2 ARG 15 6.502 17.606 2.698 85 HH22 ARG 15 1HH2 ARG 15 4.977 17.384 3.486 86 H ILE 16 H ILE 16 4.484 10.800 2.882 87 HA ILE 16 HA ILE 16 1.636 10.131 2.520 88 HB ILE 16 HB ILE 16 3.611 8.830 4.399 89 HG12 ILE 16 1HG1 ILE 16 2.303 7.512 2.036 90 HG13 ILE 16 2HG1 ILE 16 3.796 8.424 1.841 91 HG21 ILE 16 1HG2 ILE 16 1.925 7.594 5.267 92 HG22 ILE 16 2HG2 ILE 16 0.973 9.003 4.803 93 HG23 ILE 16 3HG2 ILE 16 1.011 7.582 3.760 94 HD11 ILE 16 1HD1 ILE 16 3.514 5.752 2.585 95 HD12 ILE 16 2HD1 ILE 16 4.991 6.716 2.573 96 HD13 ILE 16 3HD1 ILE 16 4.025 6.601 4.043 97 H SER 17 H SER 17 0.178 10.978 3.882 98 HA SER 17 HA SER 17 1.179 12.423 6.248 99 HB2 SER 17 1HB SER 17 -1.076 13.245 4.401 100 HB3 SER 17 2HB SER 17 -0.625 14.081 5.887 101 HG SER 17 HG SER 17 1.182 14.803 4.958 102 H LYS 18 H LYS 18 0.306 11.840 8.123 103 HA LYS 18 HA LYS 18 -1.580 9.731 8.286 104 HB2 LYS 18 1HB LYS 18 0.053 9.980 10.030 105 HB3 LYS 18 2HB LYS 18 -0.481 11.620 10.370 106 HG2 LYS 18 1HG LYS 18 -2.486 10.876 11.351 107 HG3 LYS 18 2HG LYS 18 -2.282 9.243 10.712 108 HD2 LYS 18 1HD LYS 18 -1.725 9.159 13.022 109 HD3 LYS 18 2HD LYS 18 -0.207 9.064 12.125 110 HE2 LYS 18 1HE LYS 18 0.252 10.592 13.821 111 HE3 LYS 18 2HE LYS 18 -0.108 11.613 12.429 112 HZ1 LYS 18 1HZ LYS 18 -2.000 12.372 13.360 113 HZ2 LYS 18 2HZ LYS 18 -1.217 11.968 14.804 114 HZ3 LYS 18 3HZ LYS 18 -2.358 10.912 14.136 115 H ASN 19 H ASN 19 -3.730 9.772 8.298 116 HA ASN 19 HA ASN 19 -5.065 12.376 8.629 117 HB2 ASN 19 1HB ASN 19 -5.255 11.204 6.387 118 HB3 ASN 19 2HB ASN 19 -6.194 9.961 7.209 119 HD21 ASN 19 1HD2 ASN 19 -6.530 12.485 5.285 120 HD22 ASN 19 2HD2 ASN 19 -8.059 13.100 5.805 121 H VAL 20 H VAL 20 -6.880 12.539 9.931 122 HA VAL 20 HA VAL 20 -6.976 11.085 12.270 123 HB VAL 20 HB VAL 20 -9.269 12.533 10.938 124 HG11 VAL 20 1HG1 VAL 20 -10.238 11.187 12.602 125 HG12 VAL 20 2HG1 VAL 20 -8.903 11.465 13.722 126 HG13 VAL 20 3HG1 VAL 20 -10.035 12.768 13.356 127 HG21 VAL 20 1HG2 VAL 20 -8.332 14.076 13.020 128 HG22 VAL 20 2HG2 VAL 20 -6.858 13.431 12.297 129 HG23 VAL 20 3HG2 VAL 20 -8.003 14.336 11.307 130 H ASP 21 H ASP 21 -8.775 10.554 9.275 131 HA ASP 21 HA ASP 21 -10.362 8.420 10.311 132 HB2 ASP 21 1HB ASP 21 -10.769 9.938 8.229 133 HB3 ASP 21 2HB ASP 21 -9.764 8.759 7.389 134 H GLY 22 H GLY 22 -7.222 8.659 8.809 135 HA2 GLY 22 1HA GLY 22 -6.303 6.199 9.701 136 HA3 GLY 22 2HA GLY 22 -6.948 5.924 8.090 137 H ILE 23 H ILE 23 -5.439 5.943 6.578 138 HA ILE 23 HA ILE 23 -3.147 7.768 6.911 139 HB ILE 23 HB ILE 23 -3.183 5.085 5.522 140 HG12 ILE 23 1HG1 ILE 23 -1.698 5.920 8.020 141 HG13 ILE 23 2HG1 ILE 23 -3.231 5.055 8.039 142 HG21 ILE 23 1HG2 ILE 23 -1.338 5.707 4.461 143 HG22 ILE 23 2HG2 ILE 23 -1.494 7.322 5.151 144 HG23 ILE 23 3HG2 ILE 23 -0.563 6.088 5.999 145 HD11 ILE 23 1HD1 ILE 23 -1.975 3.220 8.105 146 HD12 ILE 23 2HD1 ILE 23 -1.705 3.504 6.386 147 HD13 ILE 23 3HD1 ILE 23 -0.531 4.077 7.570 148 H HIS 24 H HIS 24 -2.504 8.992 5.185 149 HA HIS 24 HA HIS 24 -4.198 8.844 2.777 150 HB2 HIS 24 1HB HIS 24 -4.652 10.862 4.104 151 HB3 HIS 24 2HB HIS 24 -2.947 11.298 4.031 152 HD1 HIS 24 1HD HIS 24 -2.074 12.308 1.834 153 HD2 HIS 24 2HD HIS 24 -6.108 11.319 1.744 154 HE1 HIS 24 1HE HIS 24 -2.987 13.396 -0.242 155 HE2 HIS 24 2HE HIS 24 -5.447 12.854 -0.230 156 H LEU 25 H LEU 25 -2.962 7.796 1.326 157 HA LEU 25 HA LEU 25 -0.119 8.341 1.129 158 HB2 LEU 25 1HB LEU 25 -1.470 6.079 0.800 159 HB3 LEU 25 2HB LEU 25 -1.536 6.656 -0.863 160 HG LEU 25 HG LEU 25 1.093 6.914 -0.424 161 HD11 LEU 25 1HD1 LEU 25 0.923 6.078 1.881 162 HD12 LEU 25 2HD1 LEU 25 1.927 5.044 0.867 163 HD13 LEU 25 3HD1 LEU 25 0.282 4.554 1.268 164 HD21 LEU 25 1HD2 LEU 25 0.329 5.735 -2.298 165 HD22 LEU 25 2HD2 LEU 25 -0.499 4.528 -1.314 166 HD23 LEU 25 3HD2 LEU 25 1.264 4.552 -1.383 167 H SER 26 H SER 26 0.903 9.357 -0.551 168 HA SER 26 HA SER 26 -0.631 10.297 -2.832 169 HB2 SER 26 1HB SER 26 -0.866 12.011 -0.958 170 HB3 SER 26 2HB SER 26 0.860 12.313 -1.150 171 HG SER 26 HG SER 26 -1.125 13.333 -2.557 172 H TRP 27 H TRP 27 0.753 11.332 -4.470 173 HA TRP 27 HA TRP 27 3.577 11.271 -4.283 174 HB2 TRP 27 1HB TRP 27 4.064 9.385 -5.745 175 HB3 TRP 27 2HB TRP 27 3.176 8.832 -4.328 176 HD1 TRP 27 HD TRP 27 2.776 9.328 -8.105 177 HE1 TRP 27 1HE TRP 27 0.728 7.985 -8.896 178 HE3 TRP 27 3HE TRP 27 0.953 7.874 -3.556 179 HZ2 TRP 27 2HZ TRP 27 -1.382 6.506 -7.744 180 HZ3 TRP 27 3HZ TRP 27 -1.085 6.497 -3.487 181 HH2 TRP 27 HH TRP 27 -2.227 5.829 -5.539 182 H GLU 28 H GLU 28 4.581 11.452 -6.559 183 HA GLU 28 HA GLU 28 2.746 13.016 -8.255 184 HB2 GLU 28 1HB GLU 28 5.705 13.424 -7.787 185 HB3 GLU 28 2HB GLU 28 4.737 14.331 -8.942 186 HG2 GLU 28 1HG GLU 28 4.197 14.267 -5.985 187 HG3 GLU 28 2HG GLU 28 5.166 15.501 -6.788 188 HA PRO 29 HA PRO 29 3.635 10.307 -11.597 189 HB2 PRO 29 1HB PRO 29 3.318 12.001 -13.695 190 HB3 PRO 29 2HB PRO 29 1.962 11.388 -12.741 191 HG2 PRO 29 1HG PRO 29 3.364 14.027 -12.561 192 HG3 PRO 29 2HG PRO 29 1.626 13.676 -12.498 193 HD2 PRO 29 1HD PRO 29 3.099 14.149 -10.276 194 HD3 PRO 29 2HD PRO 29 1.706 13.049 -10.282 195 HA PRO 30 HA PRO 30 7.842 10.703 -12.827 196 HB2 PRO 30 1HB PRO 30 7.820 9.392 -15.204 197 HB3 PRO 30 2HB PRO 30 7.679 8.564 -13.648 198 HG2 PRO 30 1HG PRO 30 5.531 9.331 -15.587 199 HG3 PRO 30 2HG PRO 30 5.733 7.820 -14.681 200 HD2 PRO 30 1HD PRO 30 4.005 9.759 -13.915 201 HD3 PRO 30 2HD PRO 30 4.842 8.711 -12.751 202 H THR 31 H THR 31 9.272 11.684 -14.359 203 HA THR 31 HA THR 31 8.110 13.989 -15.649 204 HB THR 31 HB THR 31 10.196 14.282 -14.445 205 HG1 THR 31 1HG THR 31 11.454 14.806 -16.655 206 HG21 THR 31 1HG2 THR 31 12.022 12.973 -14.648 207 HG22 THR 31 2HG2 THR 31 11.861 12.848 -16.400 208 HG23 THR 31 3HG2 THR 31 10.891 11.816 -15.349 209 H SER 32 H SER 32 9.587 10.953 -16.613 210 HA SER 32 HA SER 32 10.250 11.249 -19.202 211 HB2 SER 32 1HB SER 32 10.411 9.070 -18.304 212 HB3 SER 32 2HB SER 32 8.698 9.024 -17.889 213 HG SER 32 HG SER 32 9.273 7.811 -19.799 214 HA PRO 33 HA PRO 33 6.796 12.770 -21.461 215 HB2 PRO 33 1HB PRO 33 7.448 11.863 -23.935 216 HB3 PRO 33 2HB PRO 33 8.285 13.210 -23.154 217 HG2 PRO 33 1HG PRO 33 9.100 10.337 -23.361 218 HG3 PRO 33 2HG PRO 33 10.086 11.797 -23.566 219 HD2 PRO 33 1HD PRO 33 10.093 10.342 -21.282 220 HD3 PRO 33 2HD PRO 33 10.331 12.101 -21.294 221 H SER 34 H SER 34 7.085 9.685 -20.532 222 HA SER 34 HA SER 34 5.582 8.138 -22.285 223 HB2 SER 34 1HB SER 34 6.831 7.556 -20.025 224 HB3 SER 34 2HB SER 34 5.218 7.761 -19.342 225 HG SER 34 HG SER 34 4.519 6.238 -21.003 226 H GLY 35 H GLY 35 3.941 9.539 -23.105 227 HA2 GLY 35 1HA GLY 35 1.843 10.389 -21.270 228 HA3 GLY 35 2HA GLY 35 1.941 10.759 -22.986 229 H ASN 36 H ASN 36 2.055 7.612 -21.351 230 HA ASN 36 HA ASN 36 -0.496 6.922 -22.641 231 HB2 ASN 36 1HB ASN 36 2.084 5.361 -22.694 232 HB3 ASN 36 2HB ASN 36 0.524 4.598 -22.989 233 HD21 ASN 36 1HD2 ASN 36 3.052 5.433 -24.598 234 HD22 ASN 36 2HD2 ASN 36 2.374 6.086 -26.046 235 H ILE 37 H ILE 37 0.211 7.690 -19.889 236 HA ILE 37 HA ILE 37 -0.033 5.242 -18.351 237 HB ILE 37 HB ILE 37 0.011 8.128 -17.461 238 HG12 ILE 37 1HG1 ILE 37 2.148 6.026 -17.109 239 HG13 ILE 37 2HG1 ILE 37 2.109 7.112 -18.494 240 HG21 ILE 37 1HG2 ILE 37 -1.209 6.835 -15.850 241 HG22 ILE 37 2HG2 ILE 37 0.024 5.574 -15.862 242 HG23 ILE 37 3HG2 ILE 37 0.397 7.165 -15.200 243 HD11 ILE 37 1HD1 ILE 37 2.663 8.946 -17.241 244 HD12 ILE 37 2HD1 ILE 37 2.024 8.256 -15.749 245 HD13 ILE 37 3HD1 ILE 37 3.554 7.675 -16.404 246 H LEU 38 H LEU 38 -2.052 4.422 -18.891 247 HA LEU 38 HA LEU 38 -4.448 5.784 -19.088 248 HB2 LEU 38 1HB LEU 38 -4.142 3.035 -17.902 249 HB3 LEU 38 2HB LEU 38 -5.547 3.691 -18.740 250 HG LEU 38 HG LEU 38 -2.881 3.115 -20.030 251 HD11 LEU 38 1HD1 LEU 38 -5.448 1.568 -20.302 252 HD12 LEU 38 2HD1 LEU 38 -4.133 1.100 -19.225 253 HD13 LEU 38 3HD1 LEU 38 -3.865 1.164 -20.967 254 HD21 LEU 38 1HD2 LEU 38 -5.114 4.678 -20.849 255 HD22 LEU 38 2HD2 LEU 38 -5.037 3.235 -21.861 256 HD23 LEU 38 3HD2 LEU 38 -3.639 4.304 -21.741 257 H GLU 39 H GLU 39 -3.495 3.874 -16.227 258 HA GLU 39 HA GLU 39 -4.447 5.995 -14.479 259 HB2 GLU 39 1HB GLU 39 -5.603 3.203 -14.361 260 HB3 GLU 39 2HB GLU 39 -5.937 4.504 -13.225 261 HG2 GLU 39 1HG GLU 39 -7.777 4.587 -14.589 262 HG3 GLU 39 2HG GLU 39 -6.728 5.793 -15.332 263 H TYR 40 H TYR 40 -4.049 5.421 -12.143 264 HA TYR 40 HA TYR 40 -1.499 3.976 -11.957 265 HB2 TYR 40 1HB TYR 40 -2.715 6.195 -10.327 266 HB3 TYR 40 2HB TYR 40 -1.365 5.244 -9.720 267 HD1 TYR 40 1HD TYR 40 0.735 5.123 -11.242 268 HD2 TYR 40 2HD TYR 40 -2.309 8.069 -11.642 269 HE1 TYR 40 1HE TYR 40 2.307 6.574 -12.455 270 HE2 TYR 40 2HE TYR 40 -0.745 9.528 -12.857 271 HH TYR 40 HH TYR 40 2.423 9.278 -12.801 272 H SER 41 H SER 41 -1.088 2.857 -9.858 273 HA SER 41 HA SER 41 -3.485 1.813 -8.556 274 HB2 SER 41 1HB SER 41 -2.741 0.335 -10.548 275 HB3 SER 41 2HB SER 41 -1.388 -0.122 -9.514 276 HG SER 41 HG SER 41 -4.108 -0.325 -8.740 277 H ALA 42 H ALA 42 -3.125 0.952 -6.490 278 HA ALA 42 HA ALA 42 -0.410 1.329 -5.413 279 HB1 ALA 42 1HB ALA 42 -2.622 1.855 -3.550 280 HB2 ALA 42 2HB ALA 42 -1.090 2.703 -3.767 281 HB3 ALA 42 3HB ALA 42 -2.440 3.029 -4.854 282 H TYR 43 H TYR 43 0.342 -0.554 -4.720 283 HA TYR 43 HA TYR 43 -1.551 -2.579 -3.752 284 HB2 TYR 43 1HB TYR 43 1.339 -2.915 -4.579 285 HB3 TYR 43 2HB TYR 43 0.219 -4.207 -4.164 286 HD1 TYR 43 2HD TYR 43 0.655 -1.401 -6.581 287 HD2 TYR 43 1HD TYR 43 -0.998 -5.252 -5.845 288 HE1 TYR 43 2HE TYR 43 -0.040 -1.546 -8.935 289 HE2 TYR 43 1HE TYR 43 -1.696 -5.409 -8.198 290 HH TYR 43 HH TYR 43 -1.403 -2.687 -10.386 291 H LEU 44 H LEU 44 -1.271 -3.605 -1.780 292 HA LEU 44 HA LEU 44 0.765 -2.468 0.013 293 HB2 LEU 44 1HB LEU 44 -1.282 -1.379 0.579 294 HB3 LEU 44 2HB LEU 44 -2.160 -2.907 0.572 295 HG LEU 44 HG LEU 44 -0.538 -3.517 2.529 296 HD11 LEU 44 1HD1 LEU 44 0.849 -1.489 2.247 297 HD12 LEU 44 2HD1 LEU 44 0.159 -1.640 3.863 298 HD13 LEU 44 3HD1 LEU 44 -0.543 -0.508 2.707 299 HD21 LEU 44 1HD2 LEU 44 -3.120 -2.281 2.362 300 HD22 LEU 44 2HD2 LEU 44 -2.287 -1.742 3.820 301 HD23 LEU 44 3HD2 LEU 44 -2.521 -3.466 3.523 302 H ALA 45 H ALA 45 2.070 -4.038 0.656 303 HA ALA 45 HA ALA 45 1.654 -6.763 0.323 304 HB1 ALA 45 1HB ALA 45 3.764 -5.234 1.065 305 HB2 ALA 45 2HB ALA 45 3.381 -6.041 2.587 306 HB3 ALA 45 3HB ALA 45 3.732 -6.996 1.147 307 H ILE 46 H ILE 46 0.731 -8.347 1.503 308 HA ILE 46 HA ILE 46 -0.408 -7.605 4.119 309 HB ILE 46 HB ILE 46 -2.277 -9.129 3.670 310 HG12 ILE 46 1HG1 ILE 46 -0.820 -10.439 1.939 311 HG13 ILE 46 2HG1 ILE 46 -2.559 -10.320 1.695 312 HG21 ILE 46 1HG2 ILE 46 -1.763 -6.856 1.790 313 HG22 ILE 46 2HG2 ILE 46 -3.272 -7.764 1.721 314 HG23 ILE 46 3HG2 ILE 46 -2.819 -6.918 3.201 315 HD11 ILE 46 1HD1 ILE 46 -2.335 -9.113 -0.177 316 HD12 ILE 46 2HD1 ILE 46 -0.984 -8.176 0.462 317 HD13 ILE 46 3HD1 ILE 46 -0.707 -9.790 -0.191 318 H ARG 47 H ARG 47 -0.550 -9.259 5.698 319 HA ARG 47 HA ARG 47 1.686 -10.972 5.804 320 HB2 ARG 47 1HB ARG 47 0.729 -11.809 7.880 321 HB3 ARG 47 2HB ARG 47 0.586 -10.058 7.807 322 HG2 ARG 47 1HG ARG 47 -1.484 -10.645 8.588 323 HG3 ARG 47 2HG ARG 47 -1.785 -10.577 6.850 324 HD2 ARG 47 1HD ARG 47 -1.705 -12.931 6.649 325 HD3 ARG 47 2HD ARG 47 -1.019 -13.118 8.262 326 HE ARG 47 HE ARG 47 -3.131 -12.907 9.166 327 HH11 ARG 47 2HH1 ARG 47 -3.198 -12.150 5.769 328 HH12 ARG 47 1HH1 ARG 47 -4.927 -12.153 5.669 329 HH21 ARG 47 2HH2 ARG 47 -5.409 -12.914 9.048 330 HH22 ARG 47 1HH2 ARG 47 -6.184 -12.587 7.535 331 H THR 48 H THR 48 1.732 -13.288 5.927 332 HA THR 48 HA THR 48 -0.498 -14.640 4.569 333 HB THR 48 HB THR 48 1.287 -14.201 2.913 334 HG1 THR 48 1HG THR 48 1.397 -16.968 3.395 335 HG21 THR 48 1HG2 THR 48 3.375 -14.231 3.767 336 HG22 THR 48 2HG2 THR 48 3.293 -15.959 3.424 337 HG23 THR 48 3HG2 THR 48 2.943 -15.364 5.047 338 H ALA 49 H ALA 49 -0.817 -16.802 5.118 339 HA ALA 49 HA ALA 49 0.220 -17.548 7.713 340 HB1 ALA 49 1HB ALA 49 -1.928 -18.578 5.916 341 HB2 ALA 49 2HB ALA 49 -1.310 -19.605 7.211 342 HB3 ALA 49 3HB ALA 49 -2.025 -18.038 7.592 343 H GLN 50 H GLN 50 2.413 -17.969 7.270 344 HA GLN 50 HA GLN 50 2.868 -20.604 6.085 345 HB2 GLN 50 1HB GLN 50 4.165 -18.038 5.235 346 HB3 GLN 50 2HB GLN 50 5.047 -19.554 5.110 347 HG2 GLN 50 1HG GLN 50 2.327 -19.179 3.902 348 HG3 GLN 50 2HG GLN 50 3.810 -18.758 3.047 349 HE21 GLN 50 1HE2 GLN 50 5.218 -20.392 2.406 350 HE22 GLN 50 2HE2 GLN 50 4.728 -22.047 2.332 351 H MET 51 H MET 51 4.954 -21.540 6.699 352 HA MET 51 HA MET 51 5.872 -20.496 9.297 353 HB2 MET 51 1HB MET 51 6.425 -22.814 9.895 354 HB3 MET 51 2HB MET 51 4.717 -22.633 9.518 355 HG2 MET 51 1HG MET 51 4.980 -23.679 7.410 356 HG3 MET 51 2HG MET 51 6.738 -23.621 7.530 357 HE1 MET 51 1HE MET 51 8.150 -25.025 9.186 358 HE2 MET 51 2HE MET 51 7.206 -24.553 10.599 359 HE3 MET 51 3HE MET 51 7.512 -26.260 10.272 360 H GLN 52 H GLN 52 6.868 -22.070 6.294 361 HA GLN 52 HA GLN 52 9.634 -22.139 6.858 362 HB2 GLN 52 1HB GLN 52 8.004 -22.299 4.346 363 HB3 GLN 52 2HB GLN 52 9.757 -22.190 4.253 364 HG2 GLN 52 1HG GLN 52 10.010 -24.221 5.499 365 HG3 GLN 52 2HG GLN 52 8.275 -24.297 5.806 366 HE21 GLN 52 1HE2 GLN 52 6.868 -24.685 4.016 367 HE22 GLN 52 2HE2 GLN 52 7.438 -25.545 2.631 368 H ASP 53 H ASP 53 11.102 -20.574 6.892 369 HA ASP 53 HA ASP 53 10.579 -17.889 6.763 370 HB2 ASP 53 1HB ASP 53 12.935 -17.517 6.685 371 HB3 ASP 53 2HB ASP 53 12.688 -19.001 7.601 372 H ASN 54 H ASN 54 9.549 -16.925 5.122 373 HA ASN 54 HA ASN 54 9.676 -17.655 2.426 374 HB2 ASN 54 1HB ASN 54 9.091 -14.860 3.403 375 HB3 ASN 54 2HB ASN 54 8.466 -15.657 1.962 376 HD21 ASN 54 1HD2 ASN 54 7.125 -14.403 4.289 377 HD22 ASN 54 2HD2 ASN 54 6.054 -15.614 4.898 378 HA PRO 55 HA PRO 55 13.497 -16.026 0.986 379 HB2 PRO 55 1HB PRO 55 12.860 -15.565 -1.613 380 HB3 PRO 55 2HB PRO 55 13.099 -17.189 -0.956 381 HG2 PRO 55 1HG PRO 55 10.547 -15.712 -1.472 382 HG3 PRO 55 2HG PRO 55 10.945 -17.408 -1.803 383 HD2 PRO 55 1HD PRO 55 9.495 -16.646 0.353 384 HD3 PRO 55 2HD PRO 55 10.580 -18.050 0.381 385 H SER 56 H SER 56 14.034 -14.157 -0.860 386 HA SER 56 HA SER 56 13.324 -11.717 0.496 387 HB2 SER 56 1HB SER 56 14.987 -12.103 -2.005 388 HB3 SER 56 2HB SER 56 14.913 -10.646 -1.014 389 HG SER 56 HG SER 56 15.505 -12.673 0.582 390 H GLN 57 H GLN 57 11.032 -12.802 -0.518 391 HA GLN 57 HA GLN 57 10.372 -10.947 -2.708 392 HB2 GLN 57 1HB GLN 57 9.717 -13.837 -2.372 393 HB3 GLN 57 2HB GLN 57 8.523 -12.798 -3.139 394 HG2 GLN 57 1HG GLN 57 9.997 -13.941 -4.744 395 HG3 GLN 57 2HG GLN 57 10.076 -12.184 -4.858 396 HE21 GLN 57 1HE2 GLN 57 11.701 -14.982 -3.445 397 HE22 GLN 57 2HE2 GLN 57 13.292 -14.311 -3.499 398 H LEU 58 H LEU 58 8.276 -10.038 -2.680 399 HA LEU 58 HA LEU 58 6.617 -10.501 -0.331 400 HB2 LEU 58 1HB LEU 58 8.097 -7.983 -0.918 401 HB3 LEU 58 2HB LEU 58 6.493 -7.878 -0.195 402 HG LEU 58 HG LEU 58 8.705 -9.506 1.032 403 HD11 LEU 58 1HD1 LEU 58 8.407 -6.611 0.915 404 HD12 LEU 58 2HD1 LEU 58 9.779 -7.592 1.430 405 HD13 LEU 58 3HD1 LEU 58 8.473 -7.240 2.562 406 HD21 LEU 58 1HD2 LEU 58 7.230 -9.960 2.635 407 HD22 LEU 58 2HD2 LEU 58 5.990 -9.307 1.563 408 HD23 LEU 58 3HD2 LEU 58 6.749 -8.268 2.771 409 H VAL 59 H VAL 59 4.724 -10.954 -1.245 410 HA VAL 59 HA VAL 59 3.922 -9.797 -3.759 411 HB VAL 59 HB VAL 59 2.391 -11.581 -1.860 412 HG11 VAL 59 1HG1 VAL 59 1.646 -10.218 -4.341 413 HG12 VAL 59 2HG1 VAL 59 1.312 -11.951 -4.339 414 HG13 VAL 59 3HG1 VAL 59 0.631 -10.919 -3.081 415 HG21 VAL 59 1HG2 VAL 59 2.912 -13.140 -3.965 416 HG22 VAL 59 2HG2 VAL 59 4.325 -12.087 -4.045 417 HG23 VAL 59 3HG2 VAL 59 3.999 -13.014 -2.581 418 H PHE 60 H PHE 60 2.476 -8.200 -4.118 419 HA PHE 60 HA PHE 60 1.259 -6.933 -1.752 420 HB2 PHE 60 1HB PHE 60 2.042 -5.512 -4.300 421 HB3 PHE 60 2HB PHE 60 1.536 -4.785 -2.778 422 HD1 PHE 60 1HD PHE 60 4.257 -6.575 -4.490 423 HD2 PHE 60 2HD PHE 60 3.075 -4.441 -1.003 424 HE1 PHE 60 1HE PHE 60 6.610 -6.428 -3.787 425 HE2 PHE 60 2HE PHE 60 5.426 -4.290 -0.294 426 HZ PHE 60 HZ PHE 60 7.198 -5.283 -1.687 427 H MET 61 H MET 61 -0.868 -6.337 -1.845 428 HA MET 61 HA MET 61 -2.355 -7.286 -4.197 429 HB2 MET 61 1HB MET 61 -4.268 -7.546 -2.744 430 HB3 MET 61 2HB MET 61 -2.886 -8.365 -2.028 431 HG2 MET 61 1HG MET 61 -2.684 -6.833 -0.326 432 HG3 MET 61 2HG MET 61 -3.500 -5.561 -1.232 433 HE1 MET 61 1HE MET 61 -4.433 -4.905 0.732 434 HE2 MET 61 2HE MET 61 -6.184 -5.084 0.627 435 HE3 MET 61 3HE MET 61 -5.290 -5.894 1.915 436 H ARG 62 H ARG 62 -3.928 -6.007 -5.158 437 HA ARG 62 HA ARG 62 -3.472 -3.190 -5.029 438 HB2 ARG 62 1HB ARG 62 -4.018 -4.185 -7.153 439 HB3 ARG 62 2HB ARG 62 -5.519 -4.841 -6.513 440 HG2 ARG 62 1HG ARG 62 -6.296 -2.493 -6.153 441 HG3 ARG 62 2HG ARG 62 -4.855 -1.953 -7.019 442 HD2 ARG 62 1HD ARG 62 -6.889 -3.863 -8.157 443 HD3 ARG 62 2HD ARG 62 -6.924 -2.120 -8.419 444 HE ARG 62 HE ARG 62 -4.458 -2.732 -9.239 445 HH11 ARG 62 2HH1 ARG 62 -7.536 -4.210 -9.917 446 HH12 ARG 62 1HH1 ARG 62 -7.075 -4.751 -11.497 447 HH21 ARG 62 2HH2 ARG 62 -3.839 -3.439 -11.317 448 HH22 ARG 62 1HH2 ARG 62 -4.972 -4.313 -12.292 449 H ILE 63 H ILE 63 -4.344 -1.814 -3.642 450 HA ILE 63 HA ILE 63 -6.840 -2.570 -2.281 451 HB ILE 63 HB ILE 63 -6.203 -0.904 -0.561 452 HG12 ILE 63 1HG1 ILE 63 -3.545 -0.801 -1.997 453 HG13 ILE 63 2HG1 ILE 63 -4.766 0.462 -2.107 454 HG21 ILE 63 1HG2 ILE 63 -3.885 -2.763 -0.849 455 HG22 ILE 63 2HG2 ILE 63 -4.820 -2.349 0.586 456 HG23 ILE 63 3HG2 ILE 63 -5.510 -3.415 -0.637 457 HD11 ILE 63 1HD1 ILE 63 -3.972 1.394 -0.271 458 HD12 ILE 63 2HD1 ILE 63 -4.289 -0.084 0.637 459 HD13 ILE 63 3HD1 ILE 63 -2.739 0.138 -0.173 460 H TYR 64 H TYR 64 -5.218 0.038 -4.007 461 HA TYR 64 HA TYR 64 -7.839 1.325 -4.371 462 HB2 TYR 64 1HB TYR 64 -6.768 2.764 -2.838 463 HB3 TYR 64 2HB TYR 64 -5.212 2.607 -3.646 464 HD1 TYR 64 2HD TYR 64 -5.100 3.532 -6.084 465 HD2 TYR 64 1HD TYR 64 -8.091 4.623 -3.262 466 HE1 TYR 64 2HE TYR 64 -5.555 5.581 -7.367 467 HE2 TYR 64 1HE TYR 64 -8.555 6.674 -4.537 468 HH TYR 64 HH TYR 64 -8.094 7.253 -7.321 469 H CYS 65 H CYS 65 -8.311 1.996 -6.402 470 HA CYS 65 HA CYS 65 -6.187 1.811 -8.431 471 HB2 CYS 65 1HB CYS 65 -7.710 -0.191 -8.444 472 HB3 CYS 65 2HB CYS 65 -9.036 0.892 -8.847 473 HG CYS 65 HG CYS 65 -8.160 1.564 -11.333 474 H GLY 66 H GLY 66 -5.875 3.861 -9.040 475 HA2 GLY 66 1HA GLY 66 -7.774 5.271 -10.541 476 HA3 GLY 66 2HA GLY 66 -7.801 5.912 -8.905 477 H LEU 67 H LEU 67 -7.082 7.410 -11.181 478 HA LEU 67 HA LEU 67 -4.176 7.640 -11.080 479 HB2 LEU 67 1HB LEU 67 -4.566 9.391 -12.847 480 HB3 LEU 67 2HB LEU 67 -5.024 7.743 -13.272 481 HG LEU 67 HG LEU 67 -7.140 9.535 -12.204 482 HD11 LEU 67 1HD1 LEU 67 -5.919 10.953 -13.802 483 HD12 LEU 67 2HD1 LEU 67 -7.534 10.533 -14.371 484 HD13 LEU 67 3HD1 LEU 67 -6.124 9.711 -15.037 485 HD21 LEU 67 1HD2 LEU 67 -7.204 7.019 -13.036 486 HD22 LEU 67 2HD2 LEU 67 -7.407 7.804 -14.602 487 HD23 LEU 67 3HD2 LEU 67 -8.553 8.125 -13.300 488 H LYS 68 H LYS 68 -6.078 8.425 -8.867 489 HA LYS 68 HA LYS 68 -5.955 11.282 -8.697 490 HB2 LYS 68 1HB LYS 68 -7.653 9.720 -7.574 491 HB3 LYS 68 2HB LYS 68 -6.398 9.405 -6.383 492 HG2 LYS 68 1HG LYS 68 -7.461 11.097 -5.323 493 HG3 LYS 68 2HG LYS 68 -6.352 12.060 -6.302 494 HD2 LYS 68 1HD LYS 68 -8.204 12.110 -8.053 495 HD3 LYS 68 2HD LYS 68 -9.267 11.497 -6.784 496 HE2 LYS 68 1HE LYS 68 -8.811 13.431 -5.413 497 HE3 LYS 68 2HE LYS 68 -7.622 14.016 -6.576 498 HZ1 LYS 68 1HZ LYS 68 -10.418 13.568 -7.395 499 HZ2 LYS 68 2HZ LYS 68 -9.257 14.586 -8.087 500 HZ3 LYS 68 3HZ LYS 68 -9.976 15.002 -6.613 501 H THR 69 H THR 69 -3.521 9.228 -8.712 502 HA THR 69 HA THR 69 -1.447 9.064 -7.747 503 HB THR 69 HB THR 69 -0.358 11.311 -7.355 504 HG1 THR 69 1HG THR 69 -2.845 12.305 -8.329 505 HG21 THR 69 1HG2 THR 69 -1.246 10.095 -9.760 506 HG22 THR 69 2HG2 THR 69 0.159 11.132 -9.513 507 HG23 THR 69 3HG2 THR 69 -1.393 11.841 -9.956 508 H SER 70 H SER 70 -3.755 8.942 -5.884 509 HA SER 70 HA SER 70 -2.243 9.123 -3.442 510 HB2 SER 70 1HB SER 70 -4.601 10.946 -3.927 511 HB3 SER 70 2HB SER 70 -4.033 10.534 -2.309 512 HG SER 70 HG SER 70 -2.773 12.196 -2.642 513 H CYS 71 H CYS 71 -3.300 8.088 -1.652 514 HA CYS 71 HA CYS 71 -5.766 6.645 -2.246 515 HB2 CYS 71 1HB CYS 71 -3.219 5.253 -1.391 516 HB3 CYS 71 2HB CYS 71 -4.795 4.491 -1.564 517 HG CYS 71 HG CYS 71 -4.027 6.010 -4.373 518 H THR 72 H THR 72 -6.473 5.358 -0.257 519 HA THR 72 HA THR 72 -5.626 6.672 2.230 520 HB THR 72 HB THR 72 -8.525 6.244 1.483 521 HG1 THR 72 1HG THR 72 -7.453 8.800 1.853 522 HG21 THR 72 1HG2 THR 72 -9.088 6.936 3.563 523 HG22 THR 72 2HG2 THR 72 -7.739 8.067 3.665 524 HG23 THR 72 3HG2 THR 72 -7.476 6.351 3.971 525 H VAL 73 H VAL 73 -5.164 5.230 3.749 526 HA VAL 73 HA VAL 73 -6.503 2.605 3.658 527 HB VAL 73 HB VAL 73 -3.633 3.141 4.437 528 HG11 VAL 73 1HG1 VAL 73 -3.475 1.053 5.254 529 HG12 VAL 73 2HG1 VAL 73 -5.223 1.190 5.448 530 HG13 VAL 73 3HG1 VAL 73 -4.553 0.382 4.030 531 HG21 VAL 73 1HG2 VAL 73 -4.934 2.155 1.952 532 HG22 VAL 73 2HG2 VAL 73 -3.511 3.177 2.154 533 HG23 VAL 73 3HG2 VAL 73 -3.394 1.439 2.430 534 H THR 74 H THR 74 -7.664 2.200 5.409 535 HA THR 74 HA THR 74 -7.106 3.705 7.866 536 HB THR 74 HB THR 74 -9.381 2.979 8.579 537 HG1 THR 74 1HG THR 74 -10.596 2.274 6.477 538 HG21 THR 74 1HG2 THR 74 -9.497 5.106 7.730 539 HG22 THR 74 2HG2 THR 74 -10.551 4.272 6.588 540 HG23 THR 74 3HG2 THR 74 -8.880 4.626 6.150 541 H ALA 75 H ALA 75 -7.840 2.402 9.906 542 HA ALA 75 HA ALA 75 -5.989 0.473 10.482 543 HB1 ALA 75 1HB ALA 75 -8.675 0.245 11.756 544 HB2 ALA 75 2HB ALA 75 -7.070 0.163 12.484 545 HB3 ALA 75 3HB ALA 75 -7.734 1.719 11.986 546 H GLY 76 H GLY 76 -9.389 -0.149 9.580 547 HA2 GLY 76 1HA GLY 76 -9.584 -2.821 9.617 548 HA3 GLY 76 2HA GLY 76 -10.234 -1.880 8.283 549 H GLN 77 H GLN 77 -8.376 -1.192 6.681 550 HA GLN 77 HA GLN 77 -7.424 -3.589 5.518 551 HB2 GLN 77 1HB GLN 77 -6.847 -0.686 4.932 552 HB3 GLN 77 2HB GLN 77 -6.184 -2.005 3.975 553 HG2 GLN 77 1HG GLN 77 -9.132 -1.690 4.419 554 HG3 GLN 77 2HG GLN 77 -8.284 -0.866 3.112 555 HE21 GLN 77 1HE2 GLN 77 -8.513 -1.870 1.260 556 HE22 GLN 77 2HE2 GLN 77 -8.572 -3.580 1.022 557 H LEU 78 H LEU 78 -5.789 -0.952 7.242 558 HA LEU 78 HA LEU 78 -3.167 -1.634 6.982 559 HB2 LEU 78 1HB LEU 78 -4.721 -0.527 9.280 560 HB3 LEU 78 2HB LEU 78 -3.008 -0.890 9.476 561 HG LEU 78 HG LEU 78 -4.109 0.981 7.382 562 HD11 LEU 78 1HD1 LEU 78 -2.611 1.954 9.753 563 HD12 LEU 78 2HD1 LEU 78 -4.313 1.542 9.959 564 HD13 LEU 78 3HD1 LEU 78 -3.839 2.760 8.776 565 HD21 LEU 78 1HD2 LEU 78 -1.349 1.267 8.273 566 HD22 LEU 78 2HD2 LEU 78 -2.015 1.213 6.641 567 HD23 LEU 78 3HD2 LEU 78 -1.677 -0.287 7.506 568 H ALA 79 H ALA 79 -5.480 -3.056 9.266 569 HA ALA 79 HA ALA 79 -3.851 -4.699 10.732 570 HB1 ALA 79 1HB ALA 79 -6.601 -5.354 9.681 571 HB2 ALA 79 2HB ALA 79 -5.789 -6.176 11.013 572 HB3 ALA 79 3HB ALA 79 -6.232 -4.476 11.165 573 H ASN 80 H ASN 80 -5.096 -5.249 7.473 574 HA ASN 80 HA ASN 80 -4.073 -7.901 7.251 575 HB2 ASN 80 1HB ASN 80 -4.911 -5.946 5.098 576 HB3 ASN 80 2HB ASN 80 -4.598 -7.661 4.847 577 HD21 ASN 80 1HD2 ASN 80 -6.658 -5.369 6.541 578 HD22 ASN 80 2HD2 ASN 80 -8.027 -6.415 6.670 579 H ALA 81 H ALA 81 -2.797 -4.717 6.673 580 HA ALA 81 HA ALA 81 -0.598 -5.507 5.043 581 HB1 ALA 81 1HB ALA 81 -0.298 -3.078 6.681 582 HB2 ALA 81 2HB ALA 81 -0.102 -3.311 4.944 583 HB3 ALA 81 3HB ALA 81 -1.715 -3.124 5.631 584 H HIS 82 H HIS 82 1.437 -6.109 5.577 585 HA HIS 82 HA HIS 82 1.899 -6.984 8.286 586 HB2 HIS 82 1HB HIS 82 3.711 -8.192 7.449 587 HB3 HIS 82 2HB HIS 82 2.595 -8.173 6.087 588 HD1 HIS 82 1HD HIS 82 3.135 -5.844 4.498 589 HD2 HIS 82 2HD HIS 82 6.212 -7.678 6.604 590 HE1 HIS 82 1HE HIS 82 5.256 -5.110 3.365 591 HE2 HIS 82 2HE HIS 82 7.099 -6.299 4.603 592 H ILE 83 H ILE 83 3.518 -6.278 9.677 593 HA ILE 83 HA ILE 83 4.551 -3.588 9.079 594 HB ILE 83 HB ILE 83 4.107 -4.895 11.766 595 HG12 ILE 83 1HG1 ILE 83 2.008 -4.290 10.673 596 HG13 ILE 83 2HG1 ILE 83 2.325 -3.207 12.024 597 HG21 ILE 83 1HG2 ILE 83 5.828 -2.791 11.042 598 HG22 ILE 83 2HG2 ILE 83 4.454 -2.059 11.869 599 HG23 ILE 83 3HG2 ILE 83 5.390 -3.324 12.665 600 HD11 ILE 83 1HD1 ILE 83 3.149 -1.518 10.445 601 HD12 ILE 83 2HD1 ILE 83 2.754 -2.601 9.110 602 HD13 ILE 83 3HD1 ILE 83 1.472 -1.970 10.143 603 H ASP 84 H ASP 84 6.565 -3.754 8.314 604 HA ASP 84 HA ASP 84 8.360 -5.848 9.074 605 HB2 ASP 84 1HB ASP 84 8.474 -3.467 7.288 606 HB3 ASP 84 2HB ASP 84 10.003 -4.145 7.842 607 H TYR 85 H TYR 85 8.852 -5.813 11.218 608 HA TYR 85 HA TYR 85 9.621 -3.353 12.530 609 HB2 TYR 85 1HB TYR 85 9.273 -6.201 13.408 610 HB3 TYR 85 2HB TYR 85 10.127 -5.059 14.439 611 HD1 TYR 85 1HD TYR 85 8.838 -2.773 14.829 612 HD2 TYR 85 2HD TYR 85 6.994 -6.434 13.690 613 HE1 TYR 85 1HE TYR 85 6.691 -1.958 15.710 614 HE2 TYR 85 2HE TYR 85 4.842 -5.629 14.567 615 HH TYR 85 HH TYR 85 3.841 -4.036 15.813 616 H THR 86 H THR 86 11.222 -4.629 10.292 617 HA THR 86 HA THR 86 13.626 -5.673 11.260 618 HB THR 86 HB THR 86 13.293 -3.971 8.783 619 HG1 THR 86 1HG THR 86 12.151 -6.284 9.375 620 HG21 THR 86 1HG2 THR 86 15.119 -5.970 8.267 621 HG22 THR 86 2HG2 THR 86 15.500 -5.500 9.925 622 HG23 THR 86 3HG2 THR 86 15.507 -4.291 8.641 623 H SER 87 H SER 87 13.965 -4.335 13.170 624 HA SER 87 HA SER 87 14.974 -2.663 14.343 625 HB2 SER 87 1HB SER 87 16.787 -3.527 12.615 626 HB3 SER 87 2HB SER 87 16.601 -1.903 11.953 627 HG SER 87 HG SER 87 16.827 -1.409 14.419 628 H ARG 88 H ARG 88 12.626 -2.026 12.615 629 HA ARG 88 HA ARG 88 12.433 0.711 13.150 630 HB2 ARG 88 1HB ARG 88 14.070 0.937 11.326 631 HB3 ARG 88 2HB ARG 88 12.979 0.082 10.244 632 HG2 ARG 88 1HG ARG 88 11.317 1.894 10.575 633 HG3 ARG 88 2HG ARG 88 12.523 2.767 11.522 634 HD2 ARG 88 1HD ARG 88 12.676 1.998 8.614 635 HD3 ARG 88 2HD ARG 88 12.564 3.623 9.288 636 HE ARG 88 HE ARG 88 14.840 2.746 10.378 637 HH11 ARG 88 2HH1 ARG 88 13.662 2.626 7.104 638 HH12 ARG 88 1HH1 ARG 88 15.242 2.696 6.396 639 HH21 ARG 88 2HH2 ARG 88 16.924 2.839 9.457 640 HH22 ARG 88 1HH2 ARG 88 17.096 2.816 7.735 641 HA PRO 89 HA PRO 89 8.372 -1.160 12.555 642 HB2 PRO 89 1HB PRO 89 7.071 0.651 14.103 643 HB3 PRO 89 2HB PRO 89 7.966 -0.718 14.773 644 HG2 PRO 89 1HG PRO 89 8.808 2.141 14.493 645 HG3 PRO 89 2HG PRO 89 9.035 1.037 15.862 646 HD2 PRO 89 1HD PRO 89 11.006 1.581 14.087 647 HD3 PRO 89 2HD PRO 89 10.853 0.006 14.891 648 H ALA 90 H ALA 90 8.155 -0.629 10.357 649 HA ALA 90 HA ALA 90 6.630 1.821 9.879 650 HB1 ALA 90 1HB ALA 90 7.921 2.563 8.079 651 HB2 ALA 90 2HB ALA 90 9.108 2.122 9.308 652 HB3 ALA 90 3HB ALA 90 8.794 1.035 7.956 653 H ILE 91 H ILE 91 5.772 1.773 7.522 654 HA ILE 91 HA ILE 91 4.822 -0.964 6.987 655 HB ILE 91 HB ILE 91 3.468 1.675 6.421 656 HG12 ILE 91 1HG1 ILE 91 2.731 -0.595 8.282 657 HG13 ILE 91 2HG1 ILE 91 3.394 0.958 8.778 658 HG21 ILE 91 1HG2 ILE 91 3.153 -0.131 4.679 659 HG22 ILE 91 2HG2 ILE 91 2.337 -1.067 5.930 660 HG23 ILE 91 3HG2 ILE 91 1.681 0.491 5.426 661 HD11 ILE 91 1HD1 ILE 91 1.193 1.352 9.144 662 HD12 ILE 91 2HD1 ILE 91 1.288 1.858 7.457 663 HD13 ILE 91 3HD1 ILE 91 0.668 0.258 7.865 664 H VAL 92 H VAL 92 5.124 -1.842 5.024 665 HA VAL 92 HA VAL 92 6.691 -0.329 3.090 666 HB VAL 92 HB VAL 92 5.907 -3.248 3.077 667 HG11 VAL 92 1HG1 VAL 92 7.109 -1.548 1.083 668 HG12 VAL 92 2HG1 VAL 92 8.207 -2.848 1.550 669 HG13 VAL 92 3HG1 VAL 92 6.588 -3.229 0.961 670 HG21 VAL 92 1HG2 VAL 92 8.319 -1.790 4.101 671 HG22 VAL 92 2HG2 VAL 92 7.332 -3.007 4.910 672 HG23 VAL 92 3HG2 VAL 92 8.414 -3.479 3.600 673 H PHE 93 H PHE 93 5.786 0.662 1.422 674 HA PHE 93 HA PHE 93 3.181 -0.314 0.449 675 HB2 PHE 93 1HB PHE 93 4.252 2.480 0.751 676 HB3 PHE 93 2HB PHE 93 2.951 2.126 -0.380 677 HD1 PHE 93 2HD PHE 93 0.779 1.311 0.449 678 HD2 PHE 93 1HD PHE 93 3.876 2.548 3.094 679 HE1 PHE 93 2HE PHE 93 -0.858 1.487 2.278 680 HE2 PHE 93 1HE PHE 93 2.244 2.725 4.927 681 HZ PHE 93 HZ PHE 93 -0.126 2.196 4.520 682 H ARG 94 H ARG 94 2.763 -0.081 -1.827 683 HA ARG 94 HA ARG 94 5.167 0.206 -3.492 684 HB2 ARG 94 1HB ARG 94 4.283 -2.237 -2.936 685 HB3 ARG 94 2HB ARG 94 3.156 -1.866 -4.234 686 HG2 ARG 94 1HG ARG 94 5.243 -1.228 -5.588 687 HG3 ARG 94 2HG ARG 94 6.137 -2.107 -4.345 688 HD2 ARG 94 1HD ARG 94 4.326 -3.957 -4.839 689 HD3 ARG 94 2HD ARG 94 4.214 -3.114 -6.383 690 HE ARG 94 HE ARG 94 6.910 -3.732 -5.630 691 HH11 ARG 94 2HH1 ARG 94 4.023 -4.966 -7.134 692 HH12 ARG 94 1HH1 ARG 94 4.865 -6.144 -8.085 693 HH21 ARG 94 2HH2 ARG 94 8.030 -5.279 -6.877 694 HH22 ARG 94 1HH2 ARG 94 7.145 -6.322 -7.937 695 H ILE 95 H ILE 95 4.878 1.273 -5.381 696 HA ILE 95 HA ILE 95 2.164 1.754 -6.353 697 HB ILE 95 HB ILE 95 4.116 3.998 -5.827 698 HG12 ILE 95 1HG1 ILE 95 1.415 3.698 -4.549 699 HG13 ILE 95 2HG1 ILE 95 2.819 2.892 -3.859 700 HG21 ILE 95 1HG2 ILE 95 2.395 5.476 -6.621 701 HG22 ILE 95 2HG2 ILE 95 2.709 4.257 -7.855 702 HG23 ILE 95 3HG2 ILE 95 1.278 4.128 -6.833 703 HD11 ILE 95 1HD1 ILE 95 3.696 5.470 -4.241 704 HD12 ILE 95 2HD1 ILE 95 2.019 5.673 -3.732 705 HD13 ILE 95 3HD1 ILE 95 3.144 4.767 -2.720 706 H SER 96 H SER 96 2.027 1.780 -8.522 707 HA SER 96 HA SER 96 4.377 2.352 -10.140 708 HB2 SER 96 1HB SER 96 4.371 -0.132 -9.598 709 HB3 SER 96 2HB SER 96 2.888 -0.245 -10.545 710 HG SER 96 HG SER 96 5.184 0.962 -11.636 711 H ALA 97 H ALA 97 3.824 2.377 -12.495 712 HA ALA 97 HA ALA 97 1.107 3.444 -12.836 713 HB1 ALA 97 1HB ALA 97 3.062 4.929 -13.317 714 HB2 ALA 97 2HB ALA 97 3.467 3.859 -14.659 715 HB3 ALA 97 3HB ALA 97 1.936 4.734 -14.660 716 H LYS 98 H LYS 98 -0.260 2.676 -14.386 717 HA LYS 98 HA LYS 98 0.514 0.145 -15.639 718 HB2 LYS 98 1HB LYS 98 -1.504 0.027 -14.331 719 HB3 LYS 98 2HB LYS 98 -2.181 1.423 -15.159 720 HG2 LYS 98 1HG LYS 98 -2.403 0.186 -17.197 721 HG3 LYS 98 2HG LYS 98 -1.536 -1.189 -16.510 722 HD2 LYS 98 1HD LYS 98 -3.356 -1.370 -14.798 723 HD3 LYS 98 2HD LYS 98 -4.242 -0.135 -15.696 724 HE2 LYS 98 1HE LYS 98 -5.130 -2.116 -16.518 725 HE3 LYS 98 2HE LYS 98 -3.912 -1.700 -17.723 726 HZ1 LYS 98 1HZ LYS 98 -3.454 -3.585 -15.476 727 HZ2 LYS 98 2HZ LYS 98 -2.410 -3.273 -16.769 728 HZ3 LYS 98 3HZ LYS 98 -3.881 -4.062 -17.042 729 H ASN 99 H ASN 99 0.776 -0.069 -17.775 730 HA ASN 99 HA ASN 99 -0.150 2.115 -19.518 731 HB2 ASN 99 1HB ASN 99 1.914 1.756 -20.885 732 HB3 ASN 99 2HB ASN 99 2.234 2.387 -19.272 733 HD21 ASN 99 1HD2 ASN 99 3.663 0.607 -21.351 734 HD22 ASN 99 2HD2 ASN 99 4.301 -0.677 -20.387 735 H GLU 100 H GLU 100 -0.133 1.415 -21.881 736 HA GLU 100 HA GLU 100 -1.969 -0.458 -22.442 737 HB2 GLU 100 1HB GLU 100 0.488 0.052 -24.128 738 HB3 GLU 100 2HB GLU 100 -1.013 -0.666 -24.696 739 HG2 GLU 100 1HG GLU 100 -2.049 1.563 -23.776 740 HG3 GLU 100 2HG GLU 100 -0.404 2.157 -23.995 741 H LYS 101 H LYS 101 1.471 -1.090 -21.968 742 HA LYS 101 HA LYS 101 1.375 -3.843 -22.641 743 HB2 LYS 101 1HB LYS 101 3.323 -2.059 -21.246 744 HB3 LYS 101 2HB LYS 101 3.530 -3.800 -21.108 745 HG2 LYS 101 1HG LYS 101 4.837 -3.351 -22.927 746 HG3 LYS 101 2HG LYS 101 3.303 -3.734 -23.712 747 HD2 LYS 101 1HD LYS 101 2.799 -1.280 -23.728 748 HD3 LYS 101 2HD LYS 101 4.444 -0.999 -23.153 749 HE2 LYS 101 1HE LYS 101 4.014 -2.668 -25.588 750 HE3 LYS 101 2HE LYS 101 3.882 -0.915 -25.714 751 HZ1 LYS 101 1HZ LYS 101 6.219 -1.859 -24.297 752 HZ2 LYS 101 2HZ LYS 101 6.080 -0.653 -25.474 753 HZ3 LYS 101 3HZ LYS 101 6.176 -2.277 -25.936 754 H GLY 102 H GLY 102 1.793 -2.330 -19.430 755 HA2 GLY 102 1HA GLY 102 -0.218 -3.777 -18.136 756 HA3 GLY 102 2HA GLY 102 1.269 -4.702 -17.991 757 H TYR 103 H TYR 103 2.861 -4.025 -16.609 758 HA TYR 103 HA TYR 103 2.505 -1.472 -15.226 759 HB2 TYR 103 1HB TYR 103 2.395 -4.188 -13.977 760 HB3 TYR 103 2HB TYR 103 3.102 -2.857 -13.068 761 HD1 TYR 103 2HD TYR 103 1.666 -0.747 -12.767 762 HD2 TYR 103 1HD TYR 103 0.080 -4.492 -14.017 763 HE1 TYR 103 2HE TYR 103 -0.580 -0.017 -12.081 764 HE2 TYR 103 1HE TYR 103 -2.172 -3.772 -13.335 765 HH TYR 103 HH TYR 103 -2.844 -0.494 -12.388 766 H GLY 104 H GLY 104 4.373 -0.420 -15.179 767 HA2 GLY 104 1HA GLY 104 6.819 -1.704 -15.946 768 HA3 GLY 104 2HA GLY 104 6.625 -0.017 -15.493 769 HA PRO 105 HA PRO 105 9.117 -1.885 -12.140 770 HB2 PRO 105 1HB PRO 105 10.548 0.373 -11.665 771 HB3 PRO 105 2HB PRO 105 10.972 -0.784 -12.932 772 HG2 PRO 105 1HG PRO 105 9.499 1.812 -13.155 773 HG3 PRO 105 2HG PRO 105 10.767 1.151 -14.204 774 HD2 PRO 105 1HD PRO 105 8.139 1.035 -14.845 775 HD3 PRO 105 2HD PRO 105 9.297 -0.221 -15.330 776 H ALA 106 H ALA 106 8.315 -1.966 -10.145 777 HA ALA 106 HA ALA 106 6.568 0.158 -9.198 778 HB1 ALA 106 1HB ALA 106 5.607 -1.380 -7.841 779 HB2 ALA 106 2HB ALA 106 6.312 -2.494 -9.013 780 HB3 ALA 106 3HB ALA 106 7.135 -2.185 -7.484 781 H THR 107 H THR 107 6.807 1.146 -7.128 782 HA THR 107 HA THR 107 9.604 1.242 -6.200 783 HB THR 107 HB THR 107 7.545 3.457 -6.141 784 HG1 THR 107 1HG THR 107 10.003 3.415 -7.560 785 HG21 THR 107 1HG2 THR 107 9.038 4.787 -5.000 786 HG22 THR 107 2HG2 THR 107 10.438 3.855 -5.530 787 HG23 THR 107 3HG2 THR 107 9.380 3.218 -4.272 788 H GLN 108 H GLN 108 10.017 0.951 -4.078 789 HA GLN 108 HA GLN 108 7.708 0.428 -2.334 790 HB2 GLN 108 1HB GLN 108 9.495 -1.373 -2.845 791 HB3 GLN 108 2HB GLN 108 10.521 -0.453 -1.752 792 HG2 GLN 108 1HG GLN 108 7.819 -1.159 -0.781 793 HG3 GLN 108 2HG GLN 108 8.985 -2.471 -0.949 794 HE21 GLN 108 1HE2 GLN 108 11.131 -2.066 0.066 795 HE22 GLN 108 2HE2 GLN 108 11.151 -1.250 1.589 796 H ILE 109 H ILE 109 7.612 1.298 -0.267 797 HA ILE 109 HA ILE 109 9.699 3.163 0.556 798 HB ILE 109 HB ILE 109 8.060 4.487 -0.768 799 HG12 ILE 109 1HG1 ILE 109 7.769 5.327 2.093 800 HG13 ILE 109 2HG1 ILE 109 9.374 5.253 1.373 801 HG21 ILE 109 1HG2 ILE 109 5.848 4.416 -0.437 802 HG22 ILE 109 2HG2 ILE 109 6.172 2.926 0.449 803 HG23 ILE 109 3HG2 ILE 109 6.018 4.453 1.318 804 HD11 ILE 109 1HD1 ILE 109 8.980 7.015 -0.015 805 HD12 ILE 109 2HD1 ILE 109 7.242 6.721 -0.080 806 HD13 ILE 109 3HD1 ILE 109 7.959 7.460 1.352 807 H ARG 110 H ARG 110 9.814 3.498 2.760 808 HA ARG 110 HA ARG 110 8.089 1.747 4.375 809 HB2 ARG 110 1HB ARG 110 10.940 2.589 4.585 810 HB3 ARG 110 2HB ARG 110 10.064 2.270 6.076 811 HG2 ARG 110 1HG ARG 110 10.969 0.214 5.654 812 HG3 ARG 110 2HG ARG 110 9.402 0.052 4.859 813 HD2 ARG 110 1HD ARG 110 11.172 -0.800 3.431 814 HD3 ARG 110 2HD ARG 110 10.440 0.637 2.716 815 HE ARG 110 HE ARG 110 12.811 1.126 4.296 816 HH11 ARG 110 2HH1 ARG 110 11.506 0.459 1.138 817 HH12 ARG 110 1HH1 ARG 110 12.872 1.107 0.293 818 HH21 ARG 110 2HH2 ARG 110 14.616 1.981 3.194 819 HH22 ARG 110 1HH2 ARG 110 14.641 1.972 1.463 820 H TRP 111 H TRP 111 6.554 2.732 5.495 821 HA TRP 111 HA TRP 111 6.967 5.530 6.305 822 HB2 TRP 111 1HB TRP 111 5.024 5.052 4.811 823 HB3 TRP 111 2HB TRP 111 4.355 4.021 6.074 824 HD1 TRP 111 HD TRP 111 5.513 7.723 5.768 825 HE1 TRP 111 1HE TRP 111 3.882 9.170 7.136 826 HE3 TRP 111 3HE TRP 111 2.510 4.026 7.625 827 HZ2 TRP 111 2HZ TRP 111 1.622 8.794 8.784 828 HZ3 TRP 111 3HZ TRP 111 0.635 4.654 9.090 829 HH2 TRP 111 HH TRP 111 0.202 6.989 9.657 830 H LEU 112 H LEU 112 7.932 5.374 8.275 831 HA LEU 112 HA LEU 112 7.668 3.512 10.239 832 HB2 LEU 112 1HB LEU 112 8.226 6.425 10.254 833 HB3 LEU 112 2HB LEU 112 7.891 5.653 11.802 834 HG LEU 112 HG LEU 112 9.962 4.458 10.021 835 HD11 LEU 112 1HD1 LEU 112 10.549 6.796 9.980 836 HD12 LEU 112 2HD1 LEU 112 11.659 5.929 11.041 837 HD13 LEU 112 3HD1 LEU 112 10.364 6.907 11.731 838 HD21 LEU 112 1HD2 LEU 112 10.514 3.319 11.860 839 HD22 LEU 112 2HD2 LEU 112 8.977 3.876 12.520 840 HD23 LEU 112 3HD2 LEU 112 10.462 4.760 12.875 841 H GLN 113 H GLN 113 6.090 2.791 11.507 842 HA GLN 113 HA GLN 113 3.576 4.293 11.597 843 HB2 GLN 113 1HB GLN 113 3.873 1.750 10.948 844 HB3 GLN 113 2HB GLN 113 3.843 1.528 12.692 845 HG2 GLN 113 1HG GLN 113 1.689 3.044 12.485 846 HG3 GLN 113 2HG GLN 113 1.688 2.390 10.848 847 HE21 GLN 113 1HE2 GLN 113 1.584 1.570 14.253 848 HE22 GLN 113 2HE2 GLN 113 0.857 0.016 14.052 849 H GLY 114 H GLY 114 5.766 2.507 13.767 850 HA2 GLY 114 1HA GLY 114 6.434 3.728 15.818 851 HA3 GLY 114 2HA GLY 114 4.744 4.184 15.977 852 H ASN 115 H ASN 115 6.986 2.273 17.287 853 HA ASN 115 HA ASN 115 6.138 -0.292 17.484 854 HB2 ASN 115 1HB ASN 115 6.839 -0.104 19.976 855 HB3 ASN 115 2HB ASN 115 8.045 0.216 18.733 856 HD21 ASN 115 1HD2 ASN 115 8.692 2.348 18.341 857 HD22 ASN 115 2HD2 ASN 115 8.433 3.599 19.504 858 H SER 116 H SER 116 4.830 2.439 19.346 859 HA SER 116 HA SER 116 3.087 1.356 21.049 860 HB2 SER 116 1HB SER 116 2.553 3.633 19.136 861 HB3 SER 116 2HB SER 116 1.468 3.218 20.463 862 HG SER 116 HG SER 116 3.155 3.631 21.907 863 H LYS 117 H LYS 117 2.099 -0.553 20.705 864 HA LYS 117 HA LYS 117 -0.184 -0.604 18.957 865 HB2 LYS 117 1HB LYS 117 1.905 -1.264 17.569 866 HB3 LYS 117 2HB LYS 117 1.845 -2.768 18.478 867 HG2 LYS 117 1HG LYS 117 0.639 -3.335 16.622 868 HG3 LYS 117 2HG LYS 117 -0.651 -2.793 17.698 869 HD2 LYS 117 1HD LYS 117 0.679 -0.864 15.833 870 HD3 LYS 117 2HD LYS 117 -0.594 -1.938 15.248 871 HE2 LYS 117 1HE LYS 117 -1.883 -1.047 17.347 872 HE3 LYS 117 2HE LYS 117 -0.744 0.293 17.226 873 HZ1 LYS 117 1HZ LYS 117 -1.962 1.148 15.608 874 HZ2 LYS 117 2HZ LYS 117 -3.074 -0.118 15.750 875 HZ3 LYS 117 3HZ LYS 117 -1.776 -0.251 14.674 876 H SER 118 H SER 118 -1.564 -2.424 19.336 877 HA SER 118 HA SER 118 -1.056 -3.681 21.945 878 HB2 SER 118 1HB SER 118 -3.632 -3.066 20.489 879 HB3 SER 118 2HB SER 118 -3.559 -4.057 21.946 880 HG SER 118 HG SER 118 -3.858 -2.100 22.773 881 H GLY 119 H GLY 119 -2.275 -4.344 18.681 882 HA2 GLY 119 1HA GLY 119 -2.130 -6.273 17.424 883 HA3 GLY 119 2HA GLY 119 -1.136 -6.969 18.695 884 HA PRO 120 HA PRO 120 -5.731 -8.435 18.718 885 HB2 PRO 120 1HB PRO 120 -5.654 -10.500 16.958 886 HB3 PRO 120 2HB PRO 120 -6.100 -8.855 16.489 887 HG2 PRO 120 1HG PRO 120 -3.477 -10.266 16.187 888 HG3 PRO 120 2HG PRO 120 -4.327 -9.227 15.030 889 HD2 PRO 120 1HD PRO 120 -2.261 -8.341 16.539 890 HD3 PRO 120 2HD PRO 120 -3.604 -7.289 16.047 891 H SER 121 H SER 121 -6.366 -10.904 19.023 892 HA SER 121 HA SER 121 -4.344 -12.682 19.920 893 HB2 SER 121 1HB SER 121 -5.685 -10.921 21.935 894 HB3 SER 121 2HB SER 121 -5.290 -12.582 22.378 895 HG SER 121 HG SER 121 -3.166 -12.159 22.124 896 H SER 122 H SER 122 -5.400 -14.508 21.286 897 HA SER 122 HA SER 122 -8.230 -14.879 20.825 898 HB2 SER 122 1HB SER 122 -7.196 -15.537 18.655 899 HB3 SER 122 2HB SER 122 -6.254 -16.759 19.509 900 HG SER 122 HG SER 122 -8.252 -17.702 20.158 901 H GLY 123 H GLY 123 -9.116 -16.614 22.007 902 HA2 GLY 123 1HA GLY 123 -9.246 -18.139 23.722 903 HA3 GLY 123 2HA GLY 123 -7.548 -18.492 23.441 Start of MODEL 11 1 H1 GLY 1 H GLY 1 10.227 -1.957 -24.883 2 HA2 GLY 1 1HA GLY 1 12.355 -0.718 -24.178 3 HA3 GLY 1 2HA GLY 1 11.570 -1.664 -22.922 4 H SER 2 H SER 2 14.415 -1.164 -24.660 5 HA SER 2 HA SER 2 15.620 -3.667 -24.709 6 HB2 SER 2 1HB SER 2 17.778 -2.422 -24.631 7 HB3 SER 2 2HB SER 2 16.641 -1.753 -25.801 8 HG SER 2 HG SER 2 16.225 -0.565 -23.460 9 H SER 3 H SER 3 15.176 -1.422 -22.058 10 HA SER 3 HA SER 3 16.787 -3.077 -20.272 11 HB2 SER 3 1HB SER 3 16.428 -1.289 -18.623 12 HB3 SER 3 2HB SER 3 17.051 -0.635 -20.138 13 HG SER 3 HG SER 3 14.368 -0.592 -19.218 14 H GLY 4 H GLY 4 15.385 -4.922 -20.312 15 HA2 GLY 4 1HA GLY 4 13.890 -6.257 -19.162 16 HA3 GLY 4 2HA GLY 4 13.438 -4.855 -18.204 17 H SER 5 H SER 5 11.328 -4.524 -18.344 18 HA SER 5 HA SER 5 10.000 -4.987 -20.931 19 HB2 SER 5 1HB SER 5 7.906 -5.188 -19.612 20 HB3 SER 5 2HB SER 5 9.114 -6.384 -19.141 21 HG SER 5 HG SER 5 9.240 -4.020 -17.739 22 H SER 6 H SER 6 8.784 -3.408 -21.871 23 HA SER 6 HA SER 6 9.372 -0.716 -21.218 24 HB2 SER 6 1HB SER 6 7.741 -0.164 -23.012 25 HB3 SER 6 2HB SER 6 8.925 -1.368 -23.519 26 HG SER 6 HG SER 6 6.191 -1.645 -23.029 27 H GLY 7 H GLY 7 8.687 -0.633 -18.988 28 HA2 GLY 7 1HA GLY 7 5.758 -0.450 -18.664 29 HA3 GLY 7 2HA GLY 7 6.882 -0.820 -17.364 30 HA PRO 8 HA PRO 8 5.878 3.827 -17.729 31 HB2 PRO 8 1HB PRO 8 4.129 4.030 -15.662 32 HB3 PRO 8 2HB PRO 8 3.620 3.710 -17.324 33 HG2 PRO 8 1HG PRO 8 3.993 1.794 -15.055 34 HG3 PRO 8 2HG PRO 8 2.687 1.869 -16.252 35 HD2 PRO 8 1HD PRO 8 4.736 0.108 -16.439 36 HD3 PRO 8 2HD PRO 8 3.936 0.797 -17.866 37 H GLY 9 H GLY 9 7.542 4.862 -16.828 38 HA2 GLY 9 1HA GLY 9 9.222 4.075 -14.859 39 HA3 GLY 9 2HA GLY 9 8.857 5.768 -15.154 40 H ALA 10 H ALA 10 9.456 4.325 -12.644 41 HA ALA 10 HA ALA 10 7.037 4.166 -11.132 42 HB1 ALA 10 1HB ALA 10 8.990 4.411 -9.254 43 HB2 ALA 10 2HB ALA 10 8.513 2.895 -10.021 44 HB3 ALA 10 3HB ALA 10 9.901 3.795 -10.634 45 HA PRO 11 HA PRO 11 6.444 8.394 -10.073 46 HB2 PRO 11 1HB PRO 11 5.160 8.098 -7.699 47 HB3 PRO 11 2HB PRO 11 4.395 7.753 -9.255 48 HG2 PRO 11 1HG PRO 11 5.625 5.861 -7.288 49 HG3 PRO 11 2HG PRO 11 4.113 5.700 -8.200 50 HD2 PRO 11 1HD PRO 11 6.401 4.455 -8.941 51 HD3 PRO 11 2HD PRO 11 5.195 5.016 -10.117 52 H SER 12 H SER 12 7.196 10.036 -8.702 53 HA SER 12 HA SER 12 9.132 9.205 -6.646 54 HB2 SER 12 1HB SER 12 10.295 9.924 -8.724 55 HB3 SER 12 2HB SER 12 9.508 11.496 -8.589 56 HG SER 12 HG SER 12 10.537 11.634 -6.475 57 H THR 13 H THR 13 9.598 10.873 -5.035 58 HA THR 13 HA THR 13 9.024 12.504 -3.543 59 HB THR 13 HB THR 13 6.939 13.473 -5.496 60 HG1 THR 13 1HG THR 13 8.671 13.704 -6.742 61 HG21 THR 13 1HG2 THR 13 8.059 15.648 -4.287 62 HG22 THR 13 2HG2 THR 13 8.117 14.451 -2.992 63 HG23 THR 13 3HG2 THR 13 6.579 14.853 -3.754 64 H VAL 14 H VAL 14 7.931 9.992 -3.261 65 HA VAL 14 HA VAL 14 5.094 10.114 -2.866 66 HB VAL 14 HB VAL 14 7.120 8.079 -1.927 67 HG11 VAL 14 1HG1 VAL 14 4.274 8.398 -1.367 68 HG12 VAL 14 2HG1 VAL 14 4.688 6.817 -2.031 69 HG13 VAL 14 3HG1 VAL 14 5.482 7.395 -0.566 70 HG21 VAL 14 1HG2 VAL 14 6.653 8.477 -4.441 71 HG22 VAL 14 2HG2 VAL 14 6.626 6.828 -3.818 72 HG23 VAL 14 3HG2 VAL 14 5.112 7.684 -4.112 73 H ARG 15 H ARG 15 4.284 11.387 -1.326 74 HA ARG 15 HA ARG 15 5.656 11.507 1.273 75 HB2 ARG 15 1HB ARG 15 3.646 13.396 0.036 76 HB3 ARG 15 2HB ARG 15 4.321 13.570 1.650 77 HG2 ARG 15 1HG ARG 15 6.543 13.851 0.720 78 HG3 ARG 15 2HG ARG 15 5.908 13.604 -0.908 79 HD2 ARG 15 1HD ARG 15 5.950 15.891 -0.832 80 HD3 ARG 15 2HD ARG 15 4.320 15.587 -0.234 81 HE ARG 15 HE ARG 15 6.296 15.741 1.845 82 HH11 ARG 15 2HH1 ARG 15 4.137 17.565 -0.189 83 HH12 ARG 15 1HH1 ARG 15 4.034 18.907 0.902 84 HH21 ARG 15 2HH2 ARG 15 6.167 17.501 3.289 85 HH22 ARG 15 1HH2 ARG 15 5.190 18.870 2.880 86 H ILE 16 H ILE 16 4.571 11.065 3.162 87 HA ILE 16 HA ILE 16 1.825 10.033 2.891 88 HB ILE 16 HB ILE 16 4.010 8.869 4.622 89 HG12 ILE 16 1HG1 ILE 16 2.594 7.653 2.243 90 HG13 ILE 16 2HG1 ILE 16 4.189 8.392 2.168 91 HG21 ILE 16 1HG2 ILE 16 1.606 8.852 5.489 92 HG22 ILE 16 2HG2 ILE 16 1.275 7.716 4.183 93 HG23 ILE 16 3HG2 ILE 16 2.459 7.310 5.425 94 HD11 ILE 16 1HD1 ILE 16 3.499 5.734 2.842 95 HD12 ILE 16 2HD1 ILE 16 5.100 6.469 2.752 96 HD13 ILE 16 3HD1 ILE 16 4.203 6.493 4.270 97 H SER 17 H SER 17 0.407 10.467 4.549 98 HA SER 17 HA SER 17 1.349 11.813 6.945 99 HB2 SER 17 1HB SER 17 -0.564 13.151 5.016 100 HB3 SER 17 2HB SER 17 -0.167 13.744 6.628 101 HG SER 17 HG SER 17 1.520 14.639 5.781 102 H LYS 18 H LYS 18 0.317 10.894 8.575 103 HA LYS 18 HA LYS 18 -1.949 9.233 8.247 104 HB2 LYS 18 1HB LYS 18 -0.181 9.074 10.059 105 HB3 LYS 18 2HB LYS 18 -0.986 10.425 10.847 106 HG2 LYS 18 1HG LYS 18 -3.036 9.105 11.019 107 HG3 LYS 18 2HG LYS 18 -2.225 7.749 10.231 108 HD2 LYS 18 1HD LYS 18 -2.128 7.291 12.542 109 HD3 LYS 18 2HD LYS 18 -0.518 7.871 12.108 110 HE2 LYS 18 1HE LYS 18 -1.218 8.894 14.181 111 HE3 LYS 18 2HE LYS 18 -1.143 10.117 12.914 112 HZ1 LYS 18 1HZ LYS 18 -3.710 8.796 13.341 113 HZ2 LYS 18 2HZ LYS 18 -3.375 10.402 12.927 114 HZ3 LYS 18 3HZ LYS 18 -3.204 9.889 14.529 115 H ASN 19 H ASN 19 -4.070 9.647 8.356 116 HA ASN 19 HA ASN 19 -4.891 12.369 9.129 117 HB2 ASN 19 1HB ASN 19 -5.219 11.395 6.693 118 HB3 ASN 19 2HB ASN 19 -6.626 10.630 7.426 119 HD21 ASN 19 1HD2 ASN 19 -7.452 12.129 5.608 120 HD22 ASN 19 2HD2 ASN 19 -7.966 13.694 6.127 121 H VAL 20 H VAL 20 -7.242 12.458 9.862 122 HA VAL 20 HA VAL 20 -7.538 10.916 12.194 123 HB VAL 20 HB VAL 20 -9.832 11.870 12.308 124 HG11 VAL 20 1HG1 VAL 20 -7.941 14.064 11.542 125 HG12 VAL 20 2HG1 VAL 20 -9.121 14.015 12.854 126 HG13 VAL 20 3HG1 VAL 20 -7.638 13.066 12.964 127 HG21 VAL 20 1HG2 VAL 20 -9.754 11.942 9.612 128 HG22 VAL 20 2HG2 VAL 20 -10.857 12.912 10.588 129 HG23 VAL 20 3HG2 VAL 20 -9.359 13.620 9.985 130 H ASP 21 H ASP 21 -8.678 10.463 8.930 131 HA ASP 21 HA ASP 21 -10.536 8.369 9.652 132 HB2 ASP 21 1HB ASP 21 -9.724 9.741 7.139 133 HB3 ASP 21 2HB ASP 21 -10.382 8.113 6.996 134 H GLY 22 H GLY 22 -7.232 8.648 8.594 135 HA2 GLY 22 1HA GLY 22 -6.412 6.156 9.424 136 HA3 GLY 22 2HA GLY 22 -6.928 5.930 7.759 137 H ILE 23 H ILE 23 -5.428 6.188 6.250 138 HA ILE 23 HA ILE 23 -3.086 7.862 6.888 139 HB ILE 23 HB ILE 23 -3.078 5.358 5.200 140 HG12 ILE 23 1HG1 ILE 23 -1.826 5.748 7.920 141 HG13 ILE 23 2HG1 ILE 23 -3.419 5.033 7.695 142 HG21 ILE 23 1HG2 ILE 23 -1.193 7.532 5.576 143 HG22 ILE 23 2HG2 ILE 23 -0.491 5.960 5.955 144 HG23 ILE 23 3HG2 ILE 23 -1.210 6.246 4.370 145 HD11 ILE 23 1HD1 ILE 23 -1.386 3.790 6.036 146 HD12 ILE 23 2HD1 ILE 23 -1.034 3.685 7.761 147 HD13 ILE 23 3HD1 ILE 23 -2.561 3.064 7.133 148 H HIS 24 H HIS 24 -2.359 9.249 5.340 149 HA HIS 24 HA HIS 24 -3.957 9.401 2.870 150 HB2 HIS 24 1HB HIS 24 -4.216 11.324 4.425 151 HB3 HIS 24 2HB HIS 24 -2.491 11.644 4.274 152 HD1 HIS 24 1HD HIS 24 -4.622 13.734 3.449 153 HD2 HIS 24 2HD HIS 24 -2.811 11.055 0.841 154 HE1 HIS 24 1HE HIS 24 -4.822 14.776 1.169 155 HE2 HIS 24 2HE HIS 24 -3.795 13.097 -0.403 156 H LEU 25 H LEU 25 -2.722 8.226 1.470 157 HA LEU 25 HA LEU 25 0.137 8.721 1.287 158 HB2 LEU 25 1HB LEU 25 -1.189 6.455 1.037 159 HB3 LEU 25 2HB LEU 25 -1.327 6.986 -0.638 160 HG LEU 25 HG LEU 25 1.301 7.264 -0.366 161 HD11 LEU 25 1HD1 LEU 25 2.321 5.810 1.118 162 HD12 LEU 25 2HD1 LEU 25 0.853 4.864 1.361 163 HD13 LEU 25 3HD1 LEU 25 0.996 6.470 2.076 164 HD21 LEU 25 1HD2 LEU 25 1.497 4.907 -1.220 165 HD22 LEU 25 2HD2 LEU 25 0.348 5.930 -2.083 166 HD23 LEU 25 3HD2 LEU 25 -0.233 4.734 -0.923 167 H SER 26 H SER 26 1.183 9.421 -0.618 168 HA SER 26 HA SER 26 -0.396 10.454 -2.812 169 HB2 SER 26 1HB SER 26 -0.482 12.281 -1.127 170 HB3 SER 26 2HB SER 26 1.280 12.350 -1.149 171 HG SER 26 HG SER 26 1.116 12.837 -3.407 172 H TRP 27 H TRP 27 0.986 11.346 -4.549 173 HA TRP 27 HA TRP 27 3.805 10.977 -4.489 174 HB2 TRP 27 1HB TRP 27 3.959 9.094 -6.059 175 HB3 TRP 27 2HB TRP 27 3.166 8.612 -4.562 176 HD1 TRP 27 HD TRP 27 2.415 9.258 -8.268 177 HE1 TRP 27 1HE TRP 27 0.172 8.141 -8.853 178 HE3 TRP 27 3HE TRP 27 0.974 7.827 -3.576 179 HZ2 TRP 27 2HZ TRP 27 -1.931 6.826 -7.504 180 HZ3 TRP 27 3HZ TRP 27 -1.168 6.644 -3.310 181 HH2 TRP 27 HH TRP 27 -2.589 6.156 -5.234 182 H GLU 28 H GLU 28 4.791 11.326 -6.652 183 HA GLU 28 HA GLU 28 3.078 13.106 -8.245 184 HB2 GLU 28 1HB GLU 28 6.092 13.005 -8.017 185 HB3 GLU 28 2HB GLU 28 5.192 14.121 -9.034 186 HG2 GLU 28 1HG GLU 28 4.669 14.009 -6.097 187 HG3 GLU 28 2HG GLU 28 6.052 14.902 -6.726 188 HA PRO 29 HA PRO 29 3.256 10.399 -11.702 189 HB2 PRO 29 1HB PRO 29 2.982 12.196 -13.719 190 HB3 PRO 29 2HB PRO 29 1.648 11.737 -12.654 191 HG2 PRO 29 1HG PRO 29 3.411 14.154 -12.548 192 HG3 PRO 29 2HG PRO 29 1.656 14.039 -12.326 193 HD2 PRO 29 1HD PRO 29 3.379 14.227 -10.245 194 HD3 PRO 29 2HD PRO 29 1.853 13.326 -10.143 195 HA PRO 30 HA PRO 30 7.399 10.292 -13.200 196 HB2 PRO 30 1HB PRO 30 7.041 8.811 -15.448 197 HB3 PRO 30 2HB PRO 30 6.970 8.122 -13.821 198 HG2 PRO 30 1HG PRO 30 4.731 8.944 -15.631 199 HG3 PRO 30 2HG PRO 30 4.878 7.495 -14.620 200 HD2 PRO 30 1HD PRO 30 3.409 9.644 -13.878 201 HD3 PRO 30 2HD PRO 30 4.252 8.613 -12.705 202 H THR 31 H THR 31 7.870 12.411 -13.769 203 HA THR 31 HA THR 31 6.881 14.001 -15.729 204 HB THR 31 HB THR 31 8.642 14.748 -14.206 205 HG1 THR 31 1HG THR 31 9.077 16.218 -15.657 206 HG21 THR 31 1HG2 THR 31 9.998 12.628 -14.405 207 HG22 THR 31 2HG2 THR 31 10.929 14.126 -14.446 208 HG23 THR 31 3HG2 THR 31 10.601 13.250 -15.941 209 H SER 32 H SER 32 9.326 11.469 -16.157 210 HA SER 32 HA SER 32 10.021 11.878 -18.790 211 HB2 SER 32 1HB SER 32 10.472 9.423 -18.881 212 HB3 SER 32 2HB SER 32 11.136 10.200 -17.444 213 HG SER 32 HG SER 32 10.115 8.514 -16.592 214 HA PRO 33 HA PRO 33 6.321 11.223 -21.099 215 HB2 PRO 33 1HB PRO 33 7.453 10.812 -23.533 216 HB3 PRO 33 2HB PRO 33 7.350 12.407 -22.778 217 HG2 PRO 33 1HG PRO 33 9.660 10.506 -22.882 218 HG3 PRO 33 2HG PRO 33 9.647 12.264 -23.113 219 HD2 PRO 33 1HD PRO 33 10.406 11.105 -20.786 220 HD3 PRO 33 2HD PRO 33 9.602 12.687 -20.847 221 H SER 34 H SER 34 5.773 9.211 -20.050 222 HA SER 34 HA SER 34 6.736 6.778 -21.363 223 HB2 SER 34 1HB SER 34 6.525 7.159 -18.770 224 HB3 SER 34 2HB SER 34 4.831 6.753 -19.049 225 HG SER 34 HG SER 34 6.969 5.123 -18.925 226 H GLY 35 H GLY 35 5.102 8.391 -22.935 227 HA2 GLY 35 1HA GLY 35 3.291 8.210 -24.335 228 HA3 GLY 35 2HA GLY 35 3.150 6.546 -23.788 229 H ASN 36 H ASN 36 0.974 6.411 -23.532 230 HA ASN 36 HA ASN 36 -0.349 8.417 -21.851 231 HB2 ASN 36 1HB ASN 36 -1.620 6.211 -23.484 232 HB3 ASN 36 2HB ASN 36 -2.440 7.572 -22.723 233 HD21 ASN 36 1HD2 ASN 36 -1.681 9.749 -23.457 234 HD22 ASN 36 2HD2 ASN 36 -1.350 9.940 -25.142 235 H ILE 37 H ILE 37 -0.404 7.965 -19.755 236 HA ILE 37 HA ILE 37 -0.020 5.347 -18.706 237 HB ILE 37 HB ILE 37 -0.990 7.841 -17.304 238 HG12 ILE 37 1HG1 ILE 37 1.225 8.119 -18.328 239 HG13 ILE 37 2HG1 ILE 37 1.342 8.075 -16.573 240 HG21 ILE 37 1HG2 ILE 37 0.354 5.525 -15.970 241 HG22 ILE 37 2HG2 ILE 37 -0.670 6.779 -15.271 242 HG23 ILE 37 3HG2 ILE 37 -1.386 5.505 -16.259 243 HD11 ILE 37 1HD1 ILE 37 2.667 6.459 -18.493 244 HD12 ILE 37 2HD1 ILE 37 2.842 6.465 -16.738 245 HD13 ILE 37 3HD1 ILE 37 1.637 5.427 -17.501 246 H LEU 38 H LEU 38 -1.646 4.013 -19.500 247 HA LEU 38 HA LEU 38 -4.274 4.285 -19.815 248 HB2 LEU 38 1HB LEU 38 -2.832 2.026 -18.454 249 HB3 LEU 38 2HB LEU 38 -4.547 1.949 -18.854 250 HG LEU 38 HG LEU 38 -2.367 2.372 -20.893 251 HD11 LEU 38 1HD1 LEU 38 -2.479 0.127 -19.526 252 HD12 LEU 38 2HD1 LEU 38 -2.224 0.124 -21.270 253 HD13 LEU 38 3HD1 LEU 38 -3.827 -0.204 -20.614 254 HD21 LEU 38 1HD2 LEU 38 -5.009 2.910 -21.114 255 HD22 LEU 38 2HD2 LEU 38 -4.974 1.221 -21.620 256 HD23 LEU 38 3HD2 LEU 38 -3.982 2.414 -22.459 257 H GLU 39 H GLU 39 -2.880 3.486 -16.629 258 HA GLU 39 HA GLU 39 -4.619 5.244 -15.238 259 HB2 GLU 39 1HB GLU 39 -6.027 3.123 -15.944 260 HB3 GLU 39 2HB GLU 39 -5.222 2.399 -14.559 261 HG2 GLU 39 1HG GLU 39 -6.301 3.738 -13.052 262 HG3 GLU 39 2HG GLU 39 -6.548 5.037 -14.217 263 H TYR 40 H TYR 40 -4.568 4.625 -12.768 264 HA TYR 40 HA TYR 40 -1.790 3.854 -12.164 265 HB2 TYR 40 1HB TYR 40 -3.645 5.846 -10.882 266 HB3 TYR 40 2HB TYR 40 -2.254 5.207 -10.014 267 HD1 TYR 40 2HD TYR 40 -3.280 7.132 -13.004 268 HD2 TYR 40 1HD TYR 40 -0.069 6.013 -10.446 269 HE1 TYR 40 2HE TYR 40 -1.846 8.816 -14.078 270 HE2 TYR 40 1HE TYR 40 1.374 7.695 -11.513 271 HH TYR 40 HH TYR 40 1.574 9.119 -13.244 272 H SER 41 H SER 41 -1.511 3.004 -9.884 273 HA SER 41 HA SER 41 -3.764 1.637 -8.719 274 HB2 SER 41 1HB SER 41 -2.833 0.222 -10.714 275 HB3 SER 41 2HB SER 41 -1.526 -0.161 -9.594 276 HG SER 41 HG SER 41 -3.345 -1.643 -9.563 277 H ALA 42 H ALA 42 -3.375 0.933 -6.626 278 HA ALA 42 HA ALA 42 -0.688 1.497 -5.556 279 HB1 ALA 42 1HB ALA 42 -2.715 3.126 -5.048 280 HB2 ALA 42 2HB ALA 42 -3.049 1.917 -3.807 281 HB3 ALA 42 3HB ALA 42 -1.494 2.748 -3.832 282 H TYR 43 H TYR 43 0.196 -0.066 -4.350 283 HA TYR 43 HA TYR 43 -1.531 -2.314 -3.542 284 HB2 TYR 43 1HB TYR 43 1.414 -2.390 -4.227 285 HB3 TYR 43 2HB TYR 43 0.414 -3.771 -3.792 286 HD1 TYR 43 2HD TYR 43 0.686 -1.055 -6.332 287 HD2 TYR 43 1HD TYR 43 -0.628 -5.008 -5.462 288 HE1 TYR 43 2HE TYR 43 0.116 -1.381 -8.702 289 HE2 TYR 43 1HE TYR 43 -1.201 -5.345 -7.830 290 HH TYR 43 HH TYR 43 -0.108 -3.825 -10.220 291 H LEU 44 H LEU 44 -1.234 -3.241 -1.518 292 HA LEU 44 HA LEU 44 0.489 -1.728 0.333 293 HB2 LEU 44 1HB LEU 44 -1.743 -1.115 0.834 294 HB3 LEU 44 2HB LEU 44 -2.298 -2.784 0.725 295 HG LEU 44 HG LEU 44 -0.970 -3.283 2.780 296 HD11 LEU 44 1HD1 LEU 44 0.518 -1.235 2.425 297 HD12 LEU 44 2HD1 LEU 44 0.003 -1.598 4.072 298 HD13 LEU 44 3HD1 LEU 44 -0.793 -0.314 3.163 299 HD21 LEU 44 1HD2 LEU 44 -2.674 -2.647 4.188 300 HD22 LEU 44 2HD2 LEU 44 -3.464 -2.520 2.616 301 HD23 LEU 44 3HD2 LEU 44 -2.865 -1.069 3.422 302 H ALA 45 H ALA 45 2.135 -3.001 0.872 303 HA ALA 45 HA ALA 45 2.366 -5.721 0.602 304 HB1 ALA 45 1HB ALA 45 4.004 -3.746 1.486 305 HB2 ALA 45 2HB ALA 45 3.739 -4.662 2.970 306 HB3 ALA 45 3HB ALA 45 4.390 -5.466 1.542 307 H ILE 46 H ILE 46 1.441 -7.416 1.536 308 HA ILE 46 HA ILE 46 0.315 -7.093 4.241 309 HB ILE 46 HB ILE 46 -1.481 -8.638 3.646 310 HG12 ILE 46 1HG1 ILE 46 -0.490 -8.452 0.798 311 HG13 ILE 46 2HG1 ILE 46 -0.146 -9.817 1.855 312 HG21 ILE 46 1HG2 ILE 46 -1.330 -6.009 3.011 313 HG22 ILE 46 2HG2 ILE 46 -1.755 -6.709 1.450 314 HG23 ILE 46 3HG2 ILE 46 -2.787 -6.989 2.852 315 HD11 ILE 46 1HD1 ILE 46 -2.912 -8.901 1.115 316 HD12 ILE 46 2HD1 ILE 46 -2.031 -10.196 0.303 317 HD13 ILE 46 3HD1 ILE 46 -2.471 -10.360 2.003 318 H ARG 47 H ARG 47 0.675 -8.707 5.694 319 HA ARG 47 HA ARG 47 2.825 -10.505 5.170 320 HB2 ARG 47 1HB ARG 47 2.593 -11.190 7.460 321 HB3 ARG 47 2HB ARG 47 2.375 -9.447 7.386 322 HG2 ARG 47 1HG ARG 47 0.049 -9.619 7.710 323 HG3 ARG 47 2HG ARG 47 0.059 -11.356 7.396 324 HD2 ARG 47 1HD ARG 47 1.574 -10.149 9.690 325 HD3 ARG 47 2HD ARG 47 -0.129 -10.585 9.829 326 HE ARG 47 HE ARG 47 1.001 -12.846 8.880 327 HH11 ARG 47 2HH1 ARG 47 1.746 -10.757 11.563 328 HH12 ARG 47 1HH1 ARG 47 2.404 -12.029 12.539 329 HH21 ARG 47 2HH2 ARG 47 1.866 -14.529 10.154 330 HH22 ARG 47 1HH2 ARG 47 2.473 -14.173 11.736 331 H THR 48 H THR 48 2.655 -12.868 5.725 332 HA THR 48 HA THR 48 0.209 -14.257 5.538 333 HB THR 48 HB THR 48 0.199 -13.472 3.221 334 HG1 THR 48 1HG THR 48 -0.451 -15.392 2.556 335 HG21 THR 48 1HG2 THR 48 2.848 -13.503 3.242 336 HG22 THR 48 2HG2 THR 48 1.937 -13.684 1.743 337 HG23 THR 48 3HG2 THR 48 2.595 -15.106 2.553 338 H ALA 49 H ALA 49 0.618 -16.066 6.609 339 HA ALA 49 HA ALA 49 3.180 -16.985 7.255 340 HB1 ALA 49 1HB ALA 49 2.145 -18.667 8.440 341 HB2 ALA 49 2HB ALA 49 0.859 -17.462 8.345 342 HB3 ALA 49 3HB ALA 49 0.849 -18.850 7.257 343 H GLN 50 H GLN 50 4.573 -17.534 5.674 344 HA GLN 50 HA GLN 50 4.100 -19.959 4.214 345 HB2 GLN 50 1HB GLN 50 3.012 -18.086 2.848 346 HB3 GLN 50 2HB GLN 50 4.647 -17.510 2.549 347 HG2 GLN 50 1HG GLN 50 4.285 -18.794 0.695 348 HG3 GLN 50 2HG GLN 50 5.063 -19.959 1.765 349 HE21 GLN 50 1HE2 GLN 50 3.828 -21.594 2.702 350 HE22 GLN 50 2HE2 GLN 50 2.269 -22.025 2.096 351 H MET 51 H MET 51 5.966 -21.022 3.981 352 HA MET 51 HA MET 51 8.316 -20.383 5.141 353 HB2 MET 51 1HB MET 51 9.401 -22.021 3.754 354 HB3 MET 51 2HB MET 51 7.764 -22.572 4.084 355 HG2 MET 51 1HG MET 51 7.094 -21.662 1.859 356 HG3 MET 51 2HG MET 51 8.798 -21.348 1.542 357 HE1 MET 51 1HE MET 51 7.687 -22.610 -0.534 358 HE2 MET 51 2HE MET 51 9.343 -23.214 -0.591 359 HE3 MET 51 3HE MET 51 7.990 -24.333 -0.765 360 H GLN 52 H GLN 52 9.931 -18.984 4.850 361 HA GLN 52 HA GLN 52 9.790 -17.091 2.687 362 HB2 GLN 52 1HB GLN 52 10.465 -16.614 5.117 363 HB3 GLN 52 2HB GLN 52 12.025 -17.306 4.693 364 HG2 GLN 52 1HG GLN 52 12.374 -15.616 3.018 365 HG3 GLN 52 2HG GLN 52 10.756 -14.968 3.288 366 HE21 GLN 52 1HE2 GLN 52 10.769 -13.166 4.402 367 HE22 GLN 52 2HE2 GLN 52 11.867 -12.751 5.669 368 H ASP 53 H ASP 53 10.281 -18.094 0.777 369 HA ASP 53 HA ASP 53 12.332 -19.951 0.358 370 HB2 ASP 53 1HB ASP 53 12.096 -19.392 -2.038 371 HB3 ASP 53 2HB ASP 53 10.536 -19.632 -1.256 372 H ASN 54 H ASN 54 12.310 -16.453 -0.339 373 HA ASN 54 HA ASN 54 15.167 -16.353 0.233 374 HB2 ASN 54 1HB ASN 54 15.787 -15.345 -1.832 375 HB3 ASN 54 2HB ASN 54 14.848 -16.776 -2.248 376 HD21 ASN 54 1HD2 ASN 54 12.747 -16.525 -3.048 377 HD22 ASN 54 2HD2 ASN 54 12.209 -15.028 -3.721 378 HA PRO 55 HA PRO 55 14.001 -12.563 2.144 379 HB2 PRO 55 1HB PRO 55 16.437 -11.372 2.262 380 HB3 PRO 55 2HB PRO 55 15.974 -12.718 3.310 381 HG2 PRO 55 1HG PRO 55 17.606 -12.746 0.800 382 HG3 PRO 55 2HG PRO 55 17.883 -13.609 2.324 383 HD2 PRO 55 1HD PRO 55 16.795 -14.802 0.150 384 HD3 PRO 55 2HD PRO 55 16.361 -15.263 1.809 385 H SER 56 H SER 56 14.403 -10.132 1.857 386 HA SER 56 HA SER 56 14.145 -8.258 0.593 387 HB2 SER 56 1HB SER 56 16.450 -8.846 -0.143 388 HB3 SER 56 2HB SER 56 15.758 -9.763 -1.481 389 HG SER 56 HG SER 56 15.134 -7.933 -2.440 390 H GLN 57 H GLN 57 12.057 -10.110 0.536 391 HA GLN 57 HA GLN 57 10.815 -9.381 -1.987 392 HB2 GLN 57 1HB GLN 57 11.947 -11.703 -2.162 393 HB3 GLN 57 2HB GLN 57 10.641 -12.253 -1.122 394 HG2 GLN 57 1HG GLN 57 9.044 -11.963 -2.734 395 HG3 GLN 57 2HG GLN 57 9.963 -10.714 -3.574 396 HE21 GLN 57 1HE2 GLN 57 11.108 -11.271 -5.304 397 HE22 GLN 57 2HE2 GLN 57 11.412 -12.890 -5.824 398 H LEU 58 H LEU 58 8.551 -9.363 -1.918 399 HA LEU 58 HA LEU 58 7.224 -10.157 0.545 400 HB2 LEU 58 1HB LEU 58 7.575 -7.338 -0.364 401 HB3 LEU 58 2HB LEU 58 6.082 -7.800 0.450 402 HG LEU 58 HG LEU 58 8.798 -8.249 1.665 403 HD11 LEU 58 1HD1 LEU 58 8.496 -5.856 1.191 404 HD12 LEU 58 2HD1 LEU 58 8.487 -6.204 2.920 405 HD13 LEU 58 3HD1 LEU 58 6.971 -5.887 2.077 406 HD21 LEU 58 1HD2 LEU 58 5.995 -8.171 2.773 407 HD22 LEU 58 2HD2 LEU 58 7.458 -8.276 3.753 408 HD23 LEU 58 3HD2 LEU 58 7.047 -9.580 2.638 409 H VAL 59 H VAL 59 4.792 -9.627 0.355 410 HA VAL 59 HA VAL 59 3.941 -10.101 -2.429 411 HB VAL 59 HB VAL 59 2.703 -11.212 0.094 412 HG11 VAL 59 1HG1 VAL 59 1.067 -10.621 -1.681 413 HG12 VAL 59 2HG1 VAL 59 1.916 -11.718 -2.772 414 HG13 VAL 59 3HG1 VAL 59 1.131 -12.346 -1.323 415 HG21 VAL 59 1HG2 VAL 59 4.072 -12.942 -0.152 416 HG22 VAL 59 2HG2 VAL 59 3.447 -13.213 -1.778 417 HG23 VAL 59 3HG2 VAL 59 4.834 -12.152 -1.533 418 H PHE 60 H PHE 60 3.287 -8.085 -3.007 419 HA PHE 60 HA PHE 60 1.533 -6.582 -1.222 420 HB2 PHE 60 1HB PHE 60 2.673 -5.785 -3.909 421 HB3 PHE 60 2HB PHE 60 1.837 -4.728 -2.775 422 HD1 PHE 60 1HD PHE 60 4.832 -6.909 -3.075 423 HD2 PHE 60 2HD PHE 60 3.042 -3.533 -1.200 424 HE1 PHE 60 1HE PHE 60 6.981 -6.369 -2.005 425 HE2 PHE 60 2HE PHE 60 5.188 -2.987 -0.128 426 HZ PHE 60 HZ PHE 60 7.161 -4.405 -0.530 427 H MET 61 H MET 61 -0.465 -5.655 -2.026 428 HA MET 61 HA MET 61 -1.663 -7.011 -4.321 429 HB2 MET 61 1HB MET 61 -3.706 -7.527 -3.009 430 HB3 MET 61 2HB MET 61 -2.295 -8.428 -2.471 431 HG2 MET 61 1HG MET 61 -2.161 -7.310 -0.483 432 HG3 MET 61 2HG MET 61 -2.942 -5.863 -1.119 433 HE1 MET 61 1HE MET 61 -5.281 -6.609 1.670 434 HE2 MET 61 2HE MET 61 -3.914 -5.697 1.029 435 HE3 MET 61 3HE MET 61 -5.526 -5.463 0.352 436 H ARG 62 H ARG 62 -3.279 -5.853 -5.340 437 HA ARG 62 HA ARG 62 -3.228 -3.048 -5.031 438 HB2 ARG 62 1HB ARG 62 -3.690 -4.067 -7.185 439 HB3 ARG 62 2HB ARG 62 -5.146 -4.821 -6.550 440 HG2 ARG 62 1HG ARG 62 -6.039 -2.516 -6.127 441 HG3 ARG 62 2HG ARG 62 -4.650 -1.894 -7.021 442 HD2 ARG 62 1HD ARG 62 -6.358 -2.019 -8.614 443 HD3 ARG 62 2HD ARG 62 -5.386 -3.462 -8.900 444 HE ARG 62 HE ARG 62 -7.400 -4.178 -7.132 445 HH11 ARG 62 2HH1 ARG 62 -7.119 -3.016 -10.402 446 HH12 ARG 62 1HH1 ARG 62 -8.564 -3.803 -10.944 447 HH21 ARG 62 2HH2 ARG 62 -9.304 -5.219 -7.834 448 HH22 ARG 62 1HH2 ARG 62 -9.807 -5.055 -9.483 449 H ILE 63 H ILE 63 -4.250 -1.815 -3.609 450 HA ILE 63 HA ILE 63 -6.602 -2.910 -2.226 451 HB ILE 63 HB ILE 63 -6.155 -1.197 -0.490 452 HG12 ILE 63 1HG1 ILE 63 -3.522 -0.745 -1.895 453 HG13 ILE 63 2HG1 ILE 63 -4.905 0.323 -2.107 454 HG21 ILE 63 1HG2 ILE 63 -4.456 -2.404 0.584 455 HG22 ILE 63 2HG2 ILE 63 -5.216 -3.568 -0.500 456 HG23 ILE 63 3HG2 ILE 63 -3.676 -2.829 -0.939 457 HD11 ILE 63 1HD1 ILE 63 -3.330 1.190 -0.466 458 HD12 ILE 63 2HD1 ILE 63 -4.892 0.828 0.269 459 HD13 ILE 63 3HD1 ILE 63 -3.531 -0.269 0.503 460 H TYR 64 H TYR 64 -5.389 -0.130 -3.999 461 HA TYR 64 HA TYR 64 -8.151 0.884 -4.161 462 HB2 TYR 64 1HB TYR 64 -7.157 2.546 -2.887 463 HB3 TYR 64 2HB TYR 64 -5.588 2.347 -3.660 464 HD1 TYR 64 2HD TYR 64 -5.310 3.185 -6.042 465 HD2 TYR 64 1HD TYR 64 -8.661 4.194 -3.624 466 HE1 TYR 64 2HE TYR 64 -5.786 5.099 -7.511 467 HE2 TYR 64 1HE TYR 64 -9.147 6.111 -5.086 468 HH TYR 64 HH TYR 64 -7.091 6.850 -7.889 469 H CYS 65 H CYS 65 -8.812 1.744 -6.138 470 HA CYS 65 HA CYS 65 -6.971 1.346 -8.398 471 HB2 CYS 65 1HB CYS 65 -8.852 0.484 -9.735 472 HB3 CYS 65 2HB CYS 65 -8.525 -0.536 -8.339 473 HG CYS 65 HG CYS 65 -10.930 -0.523 -7.465 474 H GLY 66 H GLY 66 -6.723 3.117 -9.585 475 HA2 GLY 66 1HA GLY 66 -8.716 4.748 -10.594 476 HA3 GLY 66 2HA GLY 66 -8.226 5.481 -9.074 477 H LEU 67 H LEU 67 -7.859 7.061 -11.113 478 HA LEU 67 HA LEU 67 -5.075 6.732 -11.998 479 HB2 LEU 67 1HB LEU 67 -5.687 8.565 -13.626 480 HB3 LEU 67 2HB LEU 67 -6.458 7.000 -13.873 481 HG LEU 67 HG LEU 67 -7.928 9.067 -12.314 482 HD11 LEU 67 1HD1 LEU 67 -7.551 9.108 -15.301 483 HD12 LEU 67 2HD1 LEU 67 -7.187 10.394 -14.150 484 HD13 LEU 67 3HD1 LEU 67 -8.862 9.937 -14.461 485 HD21 LEU 67 1HD2 LEU 67 -8.503 6.651 -13.926 486 HD22 LEU 67 2HD2 LEU 67 -9.706 7.941 -13.954 487 HD23 LEU 67 3HD2 LEU 67 -9.229 7.211 -12.420 488 H LYS 68 H LYS 68 -6.330 7.876 -9.408 489 HA LYS 68 HA LYS 68 -5.499 10.631 -9.423 490 HB2 LYS 68 1HB LYS 68 -6.717 8.761 -7.467 491 HB3 LYS 68 2HB LYS 68 -5.785 10.097 -6.804 492 HG2 LYS 68 1HG LYS 68 -8.024 10.824 -6.897 493 HG3 LYS 68 2HG LYS 68 -7.186 11.633 -8.224 494 HD2 LYS 68 1HD LYS 68 -8.236 10.360 -9.838 495 HD3 LYS 68 2HD LYS 68 -8.561 9.029 -8.725 496 HE2 LYS 68 1HE LYS 68 -10.642 10.083 -9.178 497 HE3 LYS 68 2HE LYS 68 -10.175 10.545 -7.542 498 HZ1 LYS 68 1HZ LYS 68 -10.799 12.547 -8.419 499 HZ2 LYS 68 2HZ LYS 68 -10.263 12.178 -9.980 500 HZ3 LYS 68 3HZ LYS 68 -9.145 12.576 -8.774 501 H THR 69 H THR 69 -3.882 11.477 -7.904 502 HA THR 69 HA THR 69 -1.535 9.713 -7.824 503 HB THR 69 HB THR 69 -0.196 11.767 -7.601 504 HG1 THR 69 1HG THR 69 -2.411 13.364 -8.220 505 HG21 THR 69 1HG2 THR 69 -1.241 10.787 -9.860 506 HG22 THR 69 2HG2 THR 69 -0.196 12.208 -9.835 507 HG23 THR 69 3HG2 THR 69 -1.948 12.401 -9.908 508 H SER 70 H SER 70 -3.898 10.196 -5.833 509 HA SER 70 HA SER 70 -2.308 9.811 -3.477 510 HB2 SER 70 1HB SER 70 -4.086 12.258 -3.551 511 HB3 SER 70 2HB SER 70 -3.063 11.727 -2.216 512 HG SER 70 HG SER 70 -1.276 11.992 -3.772 513 H CYS 71 H CYS 71 -3.335 8.344 -2.300 514 HA CYS 71 HA CYS 71 -6.278 8.278 -2.384 515 HB2 CYS 71 1HB CYS 71 -6.229 5.864 -2.341 516 HB3 CYS 71 2HB CYS 71 -5.244 6.423 -3.687 517 HG CYS 71 HG CYS 71 -3.038 6.225 -1.481 518 H THR 72 H THR 72 -7.139 6.871 -0.506 519 HA THR 72 HA THR 72 -5.610 7.507 1.933 520 HB THR 72 HB THR 72 -8.623 7.546 1.682 521 HG1 THR 72 1HG THR 72 -6.932 9.796 2.047 522 HG21 THR 72 1HG2 THR 72 -6.903 8.612 3.915 523 HG22 THR 72 2HG2 THR 72 -7.588 6.987 3.924 524 HG23 THR 72 3HG2 THR 72 -8.652 8.393 3.899 525 H VAL 73 H VAL 73 -5.188 5.838 3.224 526 HA VAL 73 HA VAL 73 -6.549 3.291 2.696 527 HB VAL 73 HB VAL 73 -3.968 3.825 4.174 528 HG11 VAL 73 1HG1 VAL 73 -3.741 1.565 4.556 529 HG12 VAL 73 2HG1 VAL 73 -5.480 1.779 4.773 530 HG13 VAL 73 3HG1 VAL 73 -4.852 1.126 3.259 531 HG21 VAL 73 1HG2 VAL 73 -2.838 2.953 2.265 532 HG22 VAL 73 2HG2 VAL 73 -4.359 2.499 1.497 533 HG23 VAL 73 3HG2 VAL 73 -3.944 4.202 1.694 534 H THR 74 H THR 74 -7.712 2.248 4.221 535 HA THR 74 HA THR 74 -8.248 3.701 6.700 536 HB THR 74 HB THR 74 -10.176 2.189 6.952 537 HG1 THR 74 1HG THR 74 -10.347 0.445 5.757 538 HG21 THR 74 1HG2 THR 74 -11.377 2.890 4.810 539 HG22 THR 74 2HG2 THR 74 -9.852 3.640 4.336 540 HG23 THR 74 3HG2 THR 74 -10.685 4.178 5.795 541 H ALA 75 H ALA 75 -8.626 2.354 8.686 542 HA ALA 75 HA ALA 75 -6.279 0.954 9.364 543 HB1 ALA 75 1HB ALA 75 -8.902 1.418 10.709 544 HB2 ALA 75 2HB ALA 75 -7.766 0.254 11.392 545 HB3 ALA 75 3HB ALA 75 -7.285 1.938 11.185 546 H GLY 76 H GLY 76 -9.608 -0.228 8.860 547 HA2 GLY 76 1HA GLY 76 -9.465 -2.854 9.344 548 HA3 GLY 76 2HA GLY 76 -10.274 -2.243 7.909 549 H GLN 77 H GLN 77 -8.052 -1.325 6.476 550 HA GLN 77 HA GLN 77 -7.109 -3.810 5.400 551 HB2 GLN 77 1HB GLN 77 -6.585 -0.925 4.701 552 HB3 GLN 77 2HB GLN 77 -5.796 -2.256 3.864 553 HG2 GLN 77 1HG GLN 77 -8.168 -3.131 3.438 554 HG3 GLN 77 2HG GLN 77 -8.694 -1.511 3.893 555 HE21 GLN 77 1HE2 GLN 77 -8.228 -3.327 1.325 556 HE22 GLN 77 2HE2 GLN 77 -7.682 -2.158 0.176 557 H LEU 78 H LEU 78 -5.617 -1.073 7.093 558 HA LEU 78 HA LEU 78 -2.974 -1.677 6.997 559 HB2 LEU 78 1HB LEU 78 -4.708 -0.528 9.120 560 HB3 LEU 78 2HB LEU 78 -3.046 -0.939 9.539 561 HG LEU 78 HG LEU 78 -3.807 0.916 7.287 562 HD11 LEU 78 1HD1 LEU 78 -2.738 2.565 9.058 563 HD12 LEU 78 2HD1 LEU 78 -3.406 1.389 10.189 564 HD13 LEU 78 3HD1 LEU 78 -4.465 2.208 9.041 565 HD21 LEU 78 1HD2 LEU 78 -1.166 0.978 8.615 566 HD22 LEU 78 2HD2 LEU 78 -1.595 1.232 6.923 567 HD23 LEU 78 3HD2 LEU 78 -1.500 -0.406 7.573 568 H ALA 79 H ALA 79 -5.365 -3.166 9.148 569 HA ALA 79 HA ALA 79 -3.748 -4.731 10.726 570 HB1 ALA 79 1HB ALA 79 -6.259 -4.483 10.840 571 HB2 ALA 79 2HB ALA 79 -6.350 -5.719 9.585 572 HB3 ALA 79 3HB ALA 79 -5.628 -6.100 11.148 573 H ASN 80 H ASN 80 -4.938 -5.441 7.462 574 HA ASN 80 HA ASN 80 -3.737 -8.026 7.335 575 HB2 ASN 80 1HB ASN 80 -4.512 -6.336 4.961 576 HB3 ASN 80 2HB ASN 80 -4.472 -8.093 5.080 577 HD21 ASN 80 1HD2 ASN 80 -6.491 -5.598 4.859 578 HD22 ASN 80 2HD2 ASN 80 -7.860 -6.217 5.711 579 H ALA 81 H ALA 81 -2.662 -4.794 6.700 580 HA ALA 81 HA ALA 81 -0.537 -5.283 4.949 581 HB1 ALA 81 1HB ALA 81 -1.562 -3.053 5.852 582 HB2 ALA 81 2HB ALA 81 -0.288 -3.195 7.063 583 HB3 ALA 81 3HB ALA 81 0.128 -3.121 5.351 584 H HIS 82 H HIS 82 1.636 -5.714 5.253 585 HA HIS 82 HA HIS 82 2.267 -7.215 7.648 586 HB2 HIS 82 1HB HIS 82 3.057 -8.297 5.738 587 HB3 HIS 82 2HB HIS 82 3.608 -6.798 4.997 588 HD1 HIS 82 1HD HIS 82 4.505 -8.587 8.245 589 HD2 HIS 82 2HD HIS 82 6.299 -6.810 4.945 590 HE1 HIS 82 1HE HIS 82 6.981 -8.790 8.635 591 HE2 HIS 82 2HE HIS 82 8.045 -7.633 6.667 592 H ILE 83 H ILE 83 3.894 -6.746 9.113 593 HA ILE 83 HA ILE 83 4.874 -3.968 9.040 594 HB ILE 83 HB ILE 83 4.533 -5.674 11.505 595 HG12 ILE 83 1HG1 ILE 83 2.335 -5.319 10.589 596 HG13 ILE 83 2HG1 ILE 83 2.538 -4.223 11.951 597 HG21 ILE 83 1HG2 ILE 83 6.136 -3.600 11.301 598 HG22 ILE 83 2HG2 ILE 83 4.633 -2.700 11.501 599 HG23 ILE 83 3HG2 ILE 83 5.146 -3.845 12.740 600 HD11 ILE 83 1HD1 ILE 83 2.894 -3.444 9.068 601 HD12 ILE 83 2HD1 ILE 83 1.422 -3.194 10.008 602 HD13 ILE 83 3HD1 ILE 83 2.914 -2.374 10.469 603 H ASP 84 H ASP 84 6.861 -4.150 8.141 604 HA ASP 84 HA ASP 84 8.653 -6.299 8.740 605 HB2 ASP 84 1HB ASP 84 8.498 -4.727 6.626 606 HB3 ASP 84 2HB ASP 84 9.606 -3.723 7.557 607 H TYR 85 H TYR 85 9.196 -6.403 10.866 608 HA TYR 85 HA TYR 85 9.974 -4.036 12.330 609 HB2 TYR 85 1HB TYR 85 9.681 -6.944 13.006 610 HB3 TYR 85 2HB TYR 85 10.551 -5.871 14.097 611 HD1 TYR 85 1HD TYR 85 9.250 -3.631 14.681 612 HD2 TYR 85 2HD TYR 85 7.414 -7.225 13.335 613 HE1 TYR 85 1HE TYR 85 7.120 -2.907 15.675 614 HE2 TYR 85 2HE TYR 85 5.278 -6.510 14.324 615 HH TYR 85 HH TYR 85 5.049 -3.665 16.345 616 H THR 86 H THR 86 11.533 -5.191 9.969 617 HA THR 86 HA THR 86 13.968 -6.253 10.788 618 HB THR 86 HB THR 86 13.504 -4.367 8.469 619 HG1 THR 86 1HG THR 86 12.864 -7.020 8.917 620 HG21 THR 86 1HG2 THR 86 15.632 -4.686 7.870 621 HG22 THR 86 2HG2 THR 86 15.506 -6.429 8.112 622 HG23 THR 86 3HG2 THR 86 15.898 -5.376 9.471 623 H SER 87 H SER 87 14.309 -5.067 12.809 624 HA SER 87 HA SER 87 15.321 -3.488 14.102 625 HB2 SER 87 1HB SER 87 16.892 -2.892 11.585 626 HB3 SER 87 2HB SER 87 17.389 -2.559 13.243 627 HG SER 87 HG SER 87 17.172 -5.032 11.914 628 H ARG 88 H ARG 88 12.970 -2.716 12.433 629 HA ARG 88 HA ARG 88 12.799 -0.021 13.169 630 HB2 ARG 88 1HB ARG 88 14.418 -0.118 11.054 631 HB3 ARG 88 2HB ARG 88 12.883 -0.137 10.195 632 HG2 ARG 88 1HG ARG 88 12.238 1.932 11.390 633 HG3 ARG 88 2HG ARG 88 13.844 1.967 12.121 634 HD2 ARG 88 1HD ARG 88 14.753 1.914 9.746 635 HD3 ARG 88 2HD ARG 88 13.105 2.259 9.221 636 HE ARG 88 HE ARG 88 13.657 4.178 11.088 637 HH11 ARG 88 2HH1 ARG 88 15.124 3.124 8.112 638 HH12 ARG 88 1HH1 ARG 88 15.754 4.689 7.717 639 HH21 ARG 88 2HH2 ARG 88 14.481 6.243 10.579 640 HH22 ARG 88 1HH2 ARG 88 15.389 6.462 9.121 641 HA PRO 89 HA PRO 89 8.720 -1.826 12.499 642 HB2 PRO 89 1HB PRO 89 7.449 -0.119 14.185 643 HB3 PRO 89 2HB PRO 89 8.344 -1.536 14.747 644 HG2 PRO 89 1HG PRO 89 9.200 1.331 14.653 645 HG3 PRO 89 2HG PRO 89 9.437 0.134 15.940 646 HD2 PRO 89 1HD PRO 89 11.389 0.789 14.182 647 HD3 PRO 89 2HD PRO 89 11.237 -0.837 14.877 648 H ALA 90 H ALA 90 8.436 -1.159 10.356 649 HA ALA 90 HA ALA 90 6.967 1.356 10.067 650 HB1 ALA 90 1HB ALA 90 8.733 0.803 7.799 651 HB2 ALA 90 2HB ALA 90 8.372 2.325 8.615 652 HB3 ALA 90 3HB ALA 90 9.576 1.227 9.289 653 H ILE 91 H ILE 91 5.902 1.469 7.858 654 HA ILE 91 HA ILE 91 4.832 -1.191 7.220 655 HB ILE 91 HB ILE 91 3.665 1.541 6.675 656 HG12 ILE 91 1HG1 ILE 91 2.820 -0.632 8.605 657 HG13 ILE 91 2HG1 ILE 91 3.613 0.876 9.048 658 HG21 ILE 91 1HG2 ILE 91 3.187 -0.346 5.010 659 HG22 ILE 91 2HG2 ILE 91 2.252 -1.078 6.312 660 HG23 ILE 91 3HG2 ILE 91 1.809 0.513 5.696 661 HD11 ILE 91 1HD1 ILE 91 0.812 0.337 8.382 662 HD12 ILE 91 2HD1 ILE 91 1.522 1.575 9.418 663 HD13 ILE 91 3HD1 ILE 91 1.481 1.806 7.670 664 H VAL 92 H VAL 92 5.080 -2.071 5.257 665 HA VAL 92 HA VAL 92 6.730 -0.667 3.322 666 HB VAL 92 HB VAL 92 5.661 -3.492 3.269 667 HG11 VAL 92 1HG1 VAL 92 8.025 -3.015 1.697 668 HG12 VAL 92 2HG1 VAL 92 6.475 -3.703 1.211 669 HG13 VAL 92 3HG1 VAL 92 6.712 -1.955 1.187 670 HG21 VAL 92 1HG2 VAL 92 7.205 -3.856 4.839 671 HG22 VAL 92 2HG2 VAL 92 8.403 -3.585 3.573 672 HG23 VAL 92 3HG2 VAL 92 7.916 -2.256 4.625 673 H PHE 93 H PHE 93 6.109 -0.022 1.312 674 HA PHE 93 HA PHE 93 3.357 -0.573 0.462 675 HB2 PHE 93 1HB PHE 93 4.607 2.106 0.930 676 HB3 PHE 93 2HB PHE 93 3.421 1.926 -0.358 677 HD1 PHE 93 2HD PHE 93 1.137 0.992 0.250 678 HD2 PHE 93 1HD PHE 93 3.935 2.379 3.142 679 HE1 PHE 93 2HE PHE 93 -0.681 1.230 1.890 680 HE2 PHE 93 1HE PHE 93 2.121 2.619 4.787 681 HZ PHE 93 HZ PHE 93 -0.191 2.045 4.162 682 H ARG 94 H ARG 94 3.003 0.109 -1.851 683 HA ARG 94 HA ARG 94 5.338 0.345 -3.521 684 HB2 ARG 94 1HB ARG 94 3.898 -2.242 -3.195 685 HB3 ARG 94 2HB ARG 94 4.419 -1.794 -4.813 686 HG2 ARG 94 1HG ARG 94 6.717 -1.379 -3.677 687 HG3 ARG 94 2HG ARG 94 6.062 -2.406 -2.401 688 HD2 ARG 94 1HD ARG 94 5.563 -4.124 -4.135 689 HD3 ARG 94 2HD ARG 94 6.397 -3.110 -5.312 690 HE ARG 94 HE ARG 94 7.598 -4.728 -3.243 691 HH11 ARG 94 2HH1 ARG 94 8.018 -2.095 -5.481 692 HH12 ARG 94 1HH1 ARG 94 9.746 -2.219 -5.505 693 HH21 ARG 94 2HH2 ARG 94 9.872 -4.902 -3.266 694 HH22 ARG 94 1HH2 ARG 94 10.799 -3.816 -4.245 695 H ILE 95 H ILE 95 4.820 1.555 -5.220 696 HA ILE 95 HA ILE 95 2.025 1.545 -6.152 697 HB ILE 95 HB ILE 95 3.832 3.959 -5.974 698 HG12 ILE 95 1HG1 ILE 95 1.239 3.709 -4.511 699 HG13 ILE 95 2HG1 ILE 95 2.651 2.885 -3.859 700 HG21 ILE 95 1HG2 ILE 95 0.932 3.811 -6.781 701 HG22 ILE 95 2HG2 ILE 95 1.969 5.237 -6.780 702 HG23 ILE 95 3HG2 ILE 95 2.278 3.924 -7.915 703 HD11 ILE 95 1HD1 ILE 95 1.932 5.473 -3.359 704 HD12 ILE 95 2HD1 ILE 95 3.534 4.781 -3.104 705 HD13 ILE 95 3HD1 ILE 95 3.176 5.650 -4.596 706 H SER 96 H SER 96 1.702 1.461 -8.314 707 HA SER 96 HA SER 96 3.932 1.936 -10.132 708 HB2 SER 96 1HB SER 96 3.722 -0.571 -9.356 709 HB3 SER 96 2HB SER 96 2.391 -0.604 -10.512 710 HG SER 96 HG SER 96 3.860 0.093 -12.112 711 H ALA 97 H ALA 97 3.216 1.861 -12.436 712 HA ALA 97 HA ALA 97 0.379 2.618 -12.691 713 HB1 ALA 97 1HB ALA 97 1.081 4.659 -13.232 714 HB2 ALA 97 2HB ALA 97 2.762 4.134 -13.334 715 HB3 ALA 97 3HB ALA 97 1.695 3.954 -14.727 716 H LYS 98 H LYS 98 -0.410 2.480 -14.985 717 HA LYS 98 HA LYS 98 0.705 0.069 -16.254 718 HB2 LYS 98 1HB LYS 98 -1.765 0.275 -15.307 719 HB3 LYS 98 2HB LYS 98 -2.051 1.036 -16.867 720 HG2 LYS 98 1HG LYS 98 -1.462 -0.915 -18.043 721 HG3 LYS 98 2HG LYS 98 -0.743 -1.654 -16.610 722 HD2 LYS 98 1HD LYS 98 -3.032 -1.631 -15.574 723 HD3 LYS 98 2HD LYS 98 -3.663 -1.136 -17.146 724 HE2 LYS 98 1HE LYS 98 -2.933 -3.164 -18.162 725 HE3 LYS 98 2HE LYS 98 -2.012 -3.620 -16.729 726 HZ1 LYS 98 1HZ LYS 98 -4.779 -3.163 -16.158 727 HZ2 LYS 98 2HZ LYS 98 -3.809 -4.499 -15.790 728 HZ3 LYS 98 3HZ LYS 98 -4.559 -4.389 -17.303 729 H ASN 99 H ASN 99 1.132 0.040 -18.428 730 HA ASN 99 HA ASN 99 0.887 2.622 -19.828 731 HB2 ASN 99 1HB ASN 99 3.214 2.156 -19.404 732 HB3 ASN 99 2HB ASN 99 3.048 0.518 -20.030 733 HD21 ASN 99 1HD2 ASN 99 4.263 0.463 -21.789 734 HD22 ASN 99 2HD2 ASN 99 4.175 1.577 -23.107 735 H GLU 100 H GLU 100 1.632 -0.713 -20.833 736 HA GLU 100 HA GLU 100 -0.708 -0.644 -22.604 737 HB2 GLU 100 1HB GLU 100 2.146 -1.190 -23.364 738 HB3 GLU 100 2HB GLU 100 0.823 -1.893 -24.285 739 HG2 GLU 100 1HG GLU 100 0.128 0.134 -25.103 740 HG3 GLU 100 2HG GLU 100 0.826 1.037 -23.759 741 H LYS 101 H LYS 101 1.975 -2.788 -21.633 742 HA LYS 101 HA LYS 101 0.268 -5.110 -21.757 743 HB2 LYS 101 1HB LYS 101 3.150 -4.662 -21.015 744 HB3 LYS 101 2HB LYS 101 2.375 -6.221 -20.770 745 HG2 LYS 101 1HG LYS 101 2.374 -4.852 -23.439 746 HG3 LYS 101 2HG LYS 101 3.699 -5.895 -22.914 747 HD2 LYS 101 1HD LYS 101 2.045 -7.713 -22.543 748 HD3 LYS 101 2HD LYS 101 0.796 -6.664 -23.219 749 HE2 LYS 101 1HE LYS 101 2.393 -6.483 -25.249 750 HE3 LYS 101 2HE LYS 101 3.149 -7.928 -24.578 751 HZ1 LYS 101 1HZ LYS 101 1.055 -9.080 -24.715 752 HZ2 LYS 101 2HZ LYS 101 1.437 -8.440 -26.234 753 HZ3 LYS 101 3HZ LYS 101 0.270 -7.687 -25.268 754 H GLY 102 H GLY 102 2.065 -3.431 -19.172 755 HA2 GLY 102 1HA GLY 102 -0.047 -3.808 -17.291 756 HA3 GLY 102 2HA GLY 102 1.262 -4.946 -17.011 757 H TYR 103 H TYR 103 2.378 -4.262 -15.308 758 HA TYR 103 HA TYR 103 3.030 -1.394 -15.132 759 HB2 TYR 103 1HB TYR 103 2.849 -3.435 -12.906 760 HB3 TYR 103 2HB TYR 103 3.279 -1.741 -12.705 761 HD1 TYR 103 1HD TYR 103 0.530 -3.929 -13.947 762 HD2 TYR 103 2HD TYR 103 1.616 -0.167 -12.282 763 HE1 TYR 103 1HE TYR 103 -1.850 -3.364 -13.687 764 HE2 TYR 103 2HE TYR 103 -0.761 0.408 -12.016 765 HH TYR 103 HH TYR 103 -3.115 -0.767 -13.514 766 H GLY 104 H GLY 104 5.136 -0.831 -14.293 767 HA2 GLY 104 1HA GLY 104 7.154 -2.898 -14.919 768 HA3 GLY 104 2HA GLY 104 7.380 -1.181 -15.221 769 HA PRO 105 HA PRO 105 9.634 -1.255 -11.407 770 HB2 PRO 105 1HB PRO 105 10.114 1.414 -11.279 771 HB3 PRO 105 2HB PRO 105 10.993 0.331 -12.365 772 HG2 PRO 105 1HG PRO 105 8.684 2.142 -12.957 773 HG3 PRO 105 2HG PRO 105 10.155 1.856 -13.906 774 HD2 PRO 105 1HD PRO 105 7.785 0.690 -14.505 775 HD3 PRO 105 2HD PRO 105 9.344 -0.104 -14.807 776 H ALA 106 H ALA 106 8.917 -1.252 -9.371 777 HA ALA 106 HA ALA 106 6.550 0.370 -8.726 778 HB1 ALA 106 1HB ALA 106 5.986 -1.861 -8.363 779 HB2 ALA 106 2HB ALA 106 7.560 -2.245 -7.665 780 HB3 ALA 106 3HB ALA 106 6.405 -1.272 -6.754 781 H THR 107 H THR 107 6.638 1.897 -7.189 782 HA THR 107 HA THR 107 9.206 2.550 -6.040 783 HB THR 107 HB THR 107 6.528 3.919 -5.717 784 HG1 THR 107 1HG THR 107 7.892 5.465 -7.128 785 HG21 THR 107 1HG2 THR 107 8.603 5.737 -5.297 786 HG22 THR 107 2HG2 THR 107 9.069 4.297 -4.392 787 HG23 THR 107 3HG2 THR 107 7.516 5.070 -4.080 788 H GLN 108 H GLN 108 9.883 1.590 -4.243 789 HA GLN 108 HA GLN 108 7.937 0.607 -2.299 790 HB2 GLN 108 1HB GLN 108 9.893 -0.786 -3.187 791 HB3 GLN 108 2HB GLN 108 10.922 0.228 -2.184 792 HG2 GLN 108 1HG GLN 108 9.559 -0.451 -0.217 793 HG3 GLN 108 2HG GLN 108 8.703 -1.581 -1.264 794 HE21 GLN 108 1HE2 GLN 108 10.443 -1.992 1.099 795 HE22 GLN 108 2HE2 GLN 108 11.664 -3.096 0.576 796 H ILE 109 H ILE 109 7.999 1.157 -0.105 797 HA ILE 109 HA ILE 109 9.837 3.142 0.872 798 HB ILE 109 HB ILE 109 8.203 4.534 -0.375 799 HG12 ILE 109 1HG1 ILE 109 7.921 4.936 2.605 800 HG13 ILE 109 2HG1 ILE 109 9.411 5.277 1.732 801 HG21 ILE 109 1HG2 ILE 109 6.163 3.773 1.689 802 HG22 ILE 109 2HG2 ILE 109 5.933 4.644 0.174 803 HG23 ILE 109 3HG2 ILE 109 6.289 2.917 0.152 804 HD11 ILE 109 1HD1 ILE 109 7.171 6.947 2.103 805 HD12 ILE 109 2HD1 ILE 109 8.651 7.279 1.202 806 HD13 ILE 109 3HD1 ILE 109 7.263 6.559 0.385 807 H ARG 110 H ARG 110 9.764 3.390 3.123 808 HA ARG 110 HA ARG 110 7.991 1.490 4.514 809 HB2 ARG 110 1HB ARG 110 10.904 2.076 4.845 810 HB3 ARG 110 2HB ARG 110 9.971 1.583 6.251 811 HG2 ARG 110 1HG ARG 110 9.426 -0.503 5.268 812 HG3 ARG 110 2HG ARG 110 10.039 0.006 3.694 813 HD2 ARG 110 1HD ARG 110 11.829 -0.075 6.095 814 HD3 ARG 110 2HD ARG 110 11.499 -1.536 5.164 815 HE ARG 110 HE ARG 110 12.417 0.757 3.644 816 HH11 ARG 110 2HH1 ARG 110 13.246 -2.204 5.278 817 HH12 ARG 110 1HH1 ARG 110 14.741 -2.408 4.426 818 HH21 ARG 110 2HH2 ARG 110 14.383 0.498 2.516 819 HH22 ARG 110 1HH2 ARG 110 15.387 -0.871 2.856 820 H TRP 111 H TRP 111 6.441 2.709 5.410 821 HA TRP 111 HA TRP 111 7.059 5.322 6.515 822 HB2 TRP 111 1HB TRP 111 4.974 4.908 5.204 823 HB3 TRP 111 2HB TRP 111 4.420 3.842 6.492 824 HD1 TRP 111 HD TRP 111 5.837 7.470 6.519 825 HE1 TRP 111 1HE TRP 111 4.266 8.911 7.960 826 HE3 TRP 111 3HE TRP 111 2.385 3.911 7.765 827 HZ2 TRP 111 2HZ TRP 111 1.879 8.583 9.431 828 HZ3 TRP 111 3HZ TRP 111 0.488 4.556 9.193 829 HH2 TRP 111 HH TRP 111 0.242 6.845 10.008 830 H LEU 112 H LEU 112 7.990 5.351 8.458 831 HA LEU 112 HA LEU 112 7.859 3.306 10.371 832 HB2 LEU 112 1HB LEU 112 8.738 6.148 10.373 833 HB3 LEU 112 2HB LEU 112 8.535 5.335 11.923 834 HG LEU 112 HG LEU 112 10.372 4.447 9.700 835 HD11 LEU 112 1HD1 LEU 112 10.923 6.574 11.032 836 HD12 LEU 112 2HD1 LEU 112 12.155 5.318 10.913 837 HD13 LEU 112 3HD1 LEU 112 11.200 5.480 12.387 838 HD21 LEU 112 1HD2 LEU 112 10.447 2.484 10.729 839 HD22 LEU 112 2HD2 LEU 112 9.280 3.043 11.927 840 HD23 LEU 112 3HD2 LEU 112 11.006 3.286 12.197 841 H GLN 113 H GLN 113 6.086 2.653 11.388 842 HA GLN 113 HA GLN 113 4.134 4.681 12.254 843 HB2 GLN 113 1HB GLN 113 2.433 2.974 12.162 844 HB3 GLN 113 2HB GLN 113 3.290 3.002 10.627 845 HG2 GLN 113 1HG GLN 113 3.031 0.742 11.111 846 HG3 GLN 113 2HG GLN 113 4.696 1.100 11.566 847 HE21 GLN 113 1HE2 GLN 113 5.326 0.402 13.474 848 HE22 GLN 113 2HE2 GLN 113 4.298 -0.002 14.802 849 H GLY 114 H GLY 114 2.927 4.104 14.270 850 HA2 GLY 114 1HA GLY 114 4.804 2.918 16.218 851 HA3 GLY 114 2HA GLY 114 3.671 4.209 16.590 852 H ASN 115 H ASN 115 1.478 3.724 16.893 853 HA ASN 115 HA ASN 115 0.888 0.853 17.198 854 HB2 ASN 115 1HB ASN 115 1.202 2.271 19.340 855 HB3 ASN 115 2HB ASN 115 -0.361 2.973 18.929 856 HD21 ASN 115 1HD2 ASN 115 -1.731 2.141 20.347 857 HD22 ASN 115 2HD2 ASN 115 -1.943 0.456 20.668 858 H SER 116 H SER 116 -0.932 0.118 16.275 859 HA SER 116 HA SER 116 -2.600 2.058 14.851 860 HB2 SER 116 1HB SER 116 -1.473 -0.110 13.835 861 HB3 SER 116 2HB SER 116 -2.910 -0.894 14.491 862 HG SER 116 HG SER 116 -2.747 0.329 12.221 863 H LYS 117 H LYS 117 -4.828 2.124 15.052 864 HA LYS 117 HA LYS 117 -5.850 1.230 17.607 865 HB2 LYS 117 1HB LYS 117 -6.313 3.505 16.622 866 HB3 LYS 117 2HB LYS 117 -7.328 2.708 15.427 867 HG2 LYS 117 1HG LYS 117 -7.793 2.368 18.369 868 HG3 LYS 117 2HG LYS 117 -8.470 3.723 17.464 869 HD2 LYS 117 1HD LYS 117 -9.310 1.843 15.851 870 HD3 LYS 117 2HD LYS 117 -9.081 0.805 17.261 871 HE2 LYS 117 1HE LYS 117 -11.247 1.436 17.601 872 HE3 LYS 117 2HE LYS 117 -10.427 2.742 18.455 873 HZ1 LYS 117 1HZ LYS 117 -11.104 3.023 15.600 874 HZ2 LYS 117 2HZ LYS 117 -10.850 4.230 16.758 875 HZ3 LYS 117 3HZ LYS 117 -12.274 3.317 16.786 876 H SER 118 H SER 118 -7.088 -0.500 17.956 877 HA SER 118 HA SER 118 -8.212 -1.891 15.612 878 HB2 SER 118 1HB SER 118 -7.039 -3.029 18.155 879 HB3 SER 118 2HB SER 118 -7.977 -3.987 17.009 880 HG SER 118 HG SER 118 -5.414 -2.924 16.773 881 H GLY 119 H GLY 119 -10.131 -3.245 16.097 882 HA2 GLY 119 1HA GLY 119 -11.808 -3.589 18.010 883 HA3 GLY 119 2HA GLY 119 -11.863 -1.832 18.018 884 HA PRO 120 HA PRO 120 -13.906 -3.490 13.919 885 HB2 PRO 120 1HB PRO 120 -14.893 -6.011 14.125 886 HB3 PRO 120 2HB PRO 120 -13.268 -5.662 13.524 887 HG2 PRO 120 1HG PRO 120 -14.129 -6.549 16.250 888 HG3 PRO 120 2HG PRO 120 -12.752 -7.098 15.279 889 HD2 PRO 120 1HD PRO 120 -12.490 -5.318 17.303 890 HD3 PRO 120 2HD PRO 120 -11.457 -5.281 15.859 891 H SER 121 H SER 121 -14.964 -4.365 17.141 892 HA SER 121 HA SER 121 -16.996 -4.299 18.183 893 HB2 SER 121 1HB SER 121 -18.140 -2.225 18.005 894 HB3 SER 121 2HB SER 121 -16.446 -1.857 17.681 895 HG SER 121 HG SER 121 -17.523 -0.874 16.065 896 H SER 122 H SER 122 -16.954 -6.162 16.133 897 HA SER 122 HA SER 122 -19.321 -5.842 14.506 898 HB2 SER 122 1HB SER 122 -17.503 -8.235 14.884 899 HB3 SER 122 2HB SER 122 -18.776 -8.100 13.671 900 HG SER 122 HG SER 122 -16.723 -7.558 12.821 901 H GLY 123 H GLY 123 -21.275 -6.104 15.355 902 HA2 GLY 123 1HA GLY 123 -22.648 -8.130 16.165 903 HA3 GLY 123 2HA GLY 123 -21.610 -8.005 17.578 Start of MODEL 12 1 H1 GLY 1 H GLY 1 9.288 -2.241 -32.441 2 HA2 GLY 1 1HA GLY 1 8.964 -4.937 -31.273 3 HA3 GLY 1 2HA GLY 1 10.506 -4.318 -31.846 4 H SER 2 H SER 2 7.903 -3.269 -29.642 5 HA SER 2 HA SER 2 9.983 -2.674 -27.645 6 HB2 SER 2 1HB SER 2 8.572 -0.734 -26.915 7 HB3 SER 2 2HB SER 2 9.256 -0.549 -28.530 8 HG SER 2 HG SER 2 6.812 -0.211 -27.988 9 H SER 3 H SER 3 9.610 -4.593 -26.540 10 HA SER 3 HA SER 3 7.445 -4.532 -24.674 11 HB2 SER 3 1HB SER 3 6.132 -5.507 -26.404 12 HB3 SER 3 2HB SER 3 7.435 -6.598 -26.877 13 HG SER 3 HG SER 3 5.752 -6.708 -24.622 14 H GLY 4 H GLY 4 8.312 -5.197 -22.831 15 HA2 GLY 4 1HA GLY 4 9.691 -7.655 -22.540 16 HA3 GLY 4 2HA GLY 4 10.842 -6.328 -22.573 17 H SER 5 H SER 5 11.494 -6.589 -20.449 18 HA SER 5 HA SER 5 9.631 -6.707 -18.284 19 HB2 SER 5 1HB SER 5 11.850 -7.717 -18.080 20 HB3 SER 5 2HB SER 5 12.605 -6.136 -18.286 21 HG SER 5 HG SER 5 11.841 -5.510 -16.323 22 H SER 6 H SER 6 11.953 -4.209 -19.329 23 HA SER 6 HA SER 6 11.044 -2.230 -17.544 24 HB2 SER 6 1HB SER 6 12.590 -2.086 -20.131 25 HB3 SER 6 2HB SER 6 12.200 -0.647 -19.189 26 HG SER 6 HG SER 6 13.186 -2.075 -17.398 27 H GLY 7 H GLY 7 9.727 -0.412 -17.872 28 HA2 GLY 7 1HA GLY 7 8.202 -0.177 -20.329 29 HA3 GLY 7 2HA GLY 7 7.271 -0.684 -18.927 30 HA PRO 8 HA PRO 8 6.654 3.684 -18.402 31 HB2 PRO 8 1HB PRO 8 5.138 3.492 -16.158 32 HB3 PRO 8 2HB PRO 8 4.510 3.148 -17.775 33 HG2 PRO 8 1HG PRO 8 5.462 1.246 -15.668 34 HG3 PRO 8 2HG PRO 8 4.038 1.131 -16.719 35 HD2 PRO 8 1HD PRO 8 6.329 -0.225 -17.216 36 HD3 PRO 8 2HD PRO 8 5.267 0.363 -18.511 37 H GLY 9 H GLY 9 6.540 5.042 -16.147 38 HA2 GLY 9 1HA GLY 9 9.112 4.456 -14.821 39 HA3 GLY 9 2HA GLY 9 8.467 6.072 -15.070 40 H ALA 10 H ALA 10 9.301 4.540 -12.618 41 HA ALA 10 HA ALA 10 6.906 4.089 -11.111 42 HB1 ALA 10 1HB ALA 10 8.284 3.067 -9.699 43 HB2 ALA 10 2HB ALA 10 9.597 3.439 -10.816 44 HB3 ALA 10 3HB ALA 10 9.243 4.530 -9.476 45 HA PRO 11 HA PRO 11 6.048 8.139 -9.644 46 HB2 PRO 11 1HB PRO 11 5.056 7.592 -7.177 47 HB3 PRO 11 2HB PRO 11 4.168 7.251 -8.667 48 HG2 PRO 11 1HG PRO 11 5.775 5.396 -6.953 49 HG3 PRO 11 2HG PRO 11 4.198 5.128 -7.718 50 HD2 PRO 11 1HD PRO 11 6.504 4.163 -8.759 51 HD3 PRO 11 2HD PRO 11 5.132 4.658 -9.772 52 H SER 12 H SER 12 7.186 9.745 -8.735 53 HA SER 12 HA SER 12 9.205 9.030 -6.711 54 HB2 SER 12 1HB SER 12 9.287 11.107 -8.904 55 HB3 SER 12 2HB SER 12 10.447 11.064 -7.576 56 HG SER 12 HG SER 12 9.997 9.089 -9.557 57 H THR 13 H THR 13 9.905 11.060 -5.430 58 HA THR 13 HA THR 13 9.300 12.447 -3.717 59 HB THR 13 HB THR 13 7.409 13.695 -5.707 60 HG1 THR 13 1HG THR 13 9.489 14.974 -6.110 61 HG21 THR 13 1HG2 THR 13 9.067 15.448 -4.102 62 HG22 THR 13 2HG2 THR 13 8.102 14.365 -3.099 63 HG23 THR 13 3HG2 THR 13 7.313 15.410 -4.280 64 H VAL 14 H VAL 14 8.023 10.142 -3.335 65 HA VAL 14 HA VAL 14 5.170 10.482 -3.147 66 HB VAL 14 HB VAL 14 7.010 8.313 -2.143 67 HG11 VAL 14 1HG1 VAL 14 4.364 7.380 -2.193 68 HG12 VAL 14 2HG1 VAL 14 5.392 7.635 -0.781 69 HG13 VAL 14 3HG1 VAL 14 4.324 8.923 -1.341 70 HG21 VAL 14 1HG2 VAL 14 6.379 8.743 -4.664 71 HG22 VAL 14 2HG2 VAL 14 6.443 7.107 -4.007 72 HG23 VAL 14 3HG2 VAL 14 4.890 7.922 -4.196 73 H ARG 15 H ARG 15 4.149 11.500 -1.563 74 HA ARG 15 HA ARG 15 5.536 11.862 1.006 75 HB2 ARG 15 1HB ARG 15 3.450 13.514 -0.406 76 HB3 ARG 15 2HB ARG 15 3.820 13.736 1.299 77 HG2 ARG 15 1HG ARG 15 5.188 15.309 0.389 78 HG3 ARG 15 2HG ARG 15 6.284 13.926 0.396 79 HD2 ARG 15 1HD ARG 15 6.567 14.632 -1.757 80 HD3 ARG 15 2HD ARG 15 5.221 13.516 -1.984 81 HE ARG 15 HE ARG 15 3.965 15.290 -2.654 82 HH11 ARG 15 2HH1 ARG 15 6.563 16.476 -0.662 83 HH12 ARG 15 1HH1 ARG 15 6.151 18.144 -0.890 84 HH21 ARG 15 2HH2 ARG 15 3.412 17.482 -2.961 85 HH22 ARG 15 1HH2 ARG 15 4.358 18.714 -2.197 86 H ILE 16 H ILE 16 4.412 11.553 2.951 87 HA ILE 16 HA ILE 16 1.804 10.214 2.750 88 HB ILE 16 HB ILE 16 4.125 9.226 4.413 89 HG12 ILE 16 1HG1 ILE 16 2.763 8.120 1.952 90 HG13 ILE 16 2HG1 ILE 16 4.448 8.603 2.115 91 HG21 ILE 16 1HG2 ILE 16 2.727 7.895 5.559 92 HG22 ILE 16 2HG2 ILE 16 1.494 9.054 5.065 93 HG23 ILE 16 3HG2 ILE 16 1.723 7.565 4.148 94 HD11 ILE 16 1HD1 ILE 16 3.237 6.065 2.603 95 HD12 ILE 16 2HD1 ILE 16 4.945 6.509 2.603 96 HD13 ILE 16 3HD1 ILE 16 3.995 6.657 4.082 97 H SER 17 H SER 17 0.353 11.050 4.092 98 HA SER 17 HA SER 17 1.251 12.261 6.608 99 HB2 SER 17 1HB SER 17 0.788 13.921 4.604 100 HB3 SER 17 2HB SER 17 -0.895 13.652 5.056 101 HG SER 17 HG SER 17 0.685 15.354 6.149 102 H LYS 18 H LYS 18 0.206 11.297 8.205 103 HA LYS 18 HA LYS 18 -2.066 9.659 7.837 104 HB2 LYS 18 1HB LYS 18 -1.817 9.086 10.038 105 HB3 LYS 18 2HB LYS 18 -0.218 9.754 9.739 106 HG2 LYS 18 1HG LYS 18 -2.524 11.245 10.976 107 HG3 LYS 18 2HG LYS 18 -1.172 10.529 11.856 108 HD2 LYS 18 1HD LYS 18 -0.568 12.423 9.643 109 HD3 LYS 18 2HD LYS 18 -1.183 13.082 11.161 110 HE2 LYS 18 1HE LYS 18 1.198 11.246 10.928 111 HE3 LYS 18 2HE LYS 18 1.298 13.003 11.031 112 HZ1 LYS 18 1HZ LYS 18 -0.005 12.747 13.173 113 HZ2 LYS 18 2HZ LYS 18 1.610 12.246 13.202 114 HZ3 LYS 18 3HZ LYS 18 0.370 11.100 13.094 115 H ASN 19 H ASN 19 -4.200 10.043 8.029 116 HA ASN 19 HA ASN 19 -5.013 12.816 8.561 117 HB2 ASN 19 1HB ASN 19 -5.566 11.578 6.347 118 HB3 ASN 19 2HB ASN 19 -6.784 10.738 7.302 119 HD21 ASN 19 1HD2 ASN 19 -8.666 11.569 6.738 120 HD22 ASN 19 2HD2 ASN 19 -9.048 13.253 6.672 121 H VAL 20 H VAL 20 -7.107 13.123 9.663 122 HA VAL 20 HA VAL 20 -7.163 11.850 12.159 123 HB VAL 20 HB VAL 20 -9.415 13.365 10.830 124 HG11 VAL 20 1HG1 VAL 20 -8.887 12.535 13.667 125 HG12 VAL 20 2HG1 VAL 20 -9.952 13.885 13.271 126 HG13 VAL 20 3HG1 VAL 20 -10.329 12.263 12.688 127 HG21 VAL 20 1HG2 VAL 20 -6.932 14.238 12.223 128 HG22 VAL 20 2HG2 VAL 20 -7.746 14.938 10.824 129 HG23 VAL 20 3HG2 VAL 20 -8.404 15.184 12.442 130 H ASP 21 H ASP 21 -8.208 10.715 9.185 131 HA ASP 21 HA ASP 21 -10.164 8.893 10.414 132 HB2 ASP 21 1HB ASP 21 -11.102 10.150 8.570 133 HB3 ASP 21 2HB ASP 21 -9.763 9.687 7.524 134 H GLY 22 H GLY 22 -6.989 9.010 9.609 135 HA2 GLY 22 1HA GLY 22 -6.124 6.585 10.134 136 HA3 GLY 22 2HA GLY 22 -6.838 6.281 8.558 137 H ILE 23 H ILE 23 -5.411 6.271 6.968 138 HA ILE 23 HA ILE 23 -3.119 8.117 7.132 139 HB ILE 23 HB ILE 23 -3.149 5.290 6.075 140 HG12 ILE 23 1HG1 ILE 23 -1.445 6.534 8.239 141 HG13 ILE 23 2HG1 ILE 23 -2.936 5.654 8.560 142 HG21 ILE 23 1HG2 ILE 23 -1.702 6.152 4.565 143 HG22 ILE 23 2HG2 ILE 23 -1.322 7.553 5.566 144 HG23 ILE 23 3HG2 ILE 23 -0.570 5.994 5.908 145 HD11 ILE 23 1HD1 ILE 23 -0.434 4.556 7.302 146 HD12 ILE 23 2HD1 ILE 23 -1.052 4.213 8.918 147 HD13 ILE 23 3HD1 ILE 23 -1.942 3.663 7.499 148 H HIS 24 H HIS 24 -2.487 9.149 5.261 149 HA HIS 24 HA HIS 24 -4.200 8.734 2.900 150 HB2 HIS 24 1HB HIS 24 -4.470 10.903 4.401 151 HB3 HIS 24 2HB HIS 24 -3.073 11.438 3.472 152 HD1 HIS 24 1HD HIS 24 -3.594 10.796 0.690 153 HD2 HIS 24 2HD HIS 24 -6.703 11.848 3.236 154 HE1 HIS 24 1HE HIS 24 -5.453 11.585 -0.809 155 HE2 HIS 24 2HE HIS 24 -7.292 12.296 0.758 156 H LEU 25 H LEU 25 -2.907 7.743 1.476 157 HA LEU 25 HA LEU 25 -0.094 8.427 1.289 158 HB2 LEU 25 1HB LEU 25 -1.274 6.088 1.040 159 HB3 LEU 25 2HB LEU 25 -1.455 6.604 -0.636 160 HG LEU 25 HG LEU 25 1.140 7.033 -0.427 161 HD11 LEU 25 1HD1 LEU 25 0.615 4.928 1.664 162 HD12 LEU 25 2HD1 LEU 25 1.330 6.518 1.924 163 HD13 LEU 25 3HD1 LEU 25 2.195 5.307 0.979 164 HD21 LEU 25 1HD2 LEU 25 0.521 5.574 -2.085 165 HD22 LEU 25 2HD2 LEU 25 -0.389 4.537 -0.986 166 HD23 LEU 25 3HD2 LEU 25 1.374 4.483 -0.993 167 H SER 26 H SER 26 0.791 9.749 -0.168 168 HA SER 26 HA SER 26 -0.774 10.503 -2.537 169 HB2 SER 26 1HB SER 26 -0.071 12.861 -2.237 170 HB3 SER 26 2HB SER 26 -1.082 12.294 -0.908 171 HG SER 26 HG SER 26 1.684 12.022 -0.652 172 H TRP 27 H TRP 27 0.538 11.483 -4.251 173 HA TRP 27 HA TRP 27 3.372 11.413 -4.175 174 HB2 TRP 27 1HB TRP 27 3.789 9.511 -5.629 175 HB3 TRP 27 2HB TRP 27 2.935 8.975 -4.185 176 HD1 TRP 27 HD TRP 27 2.304 9.643 -7.930 177 HE1 TRP 27 1HE TRP 27 0.268 8.250 -8.664 178 HE3 TRP 27 3HE TRP 27 0.903 7.791 -3.375 179 HZ2 TRP 27 2HZ TRP 27 -1.675 6.586 -7.469 180 HZ3 TRP 27 3HZ TRP 27 -1.055 6.306 -3.257 181 HH2 TRP 27 HH TRP 27 -2.316 5.718 -5.263 182 H GLU 28 H GLU 28 4.243 11.452 -6.562 183 HA GLU 28 HA GLU 28 2.374 13.079 -8.157 184 HB2 GLU 28 1HB GLU 28 5.370 13.399 -7.901 185 HB3 GLU 28 2HB GLU 28 4.335 14.345 -8.961 186 HG2 GLU 28 1HG GLU 28 3.890 14.262 -6.000 187 HG3 GLU 28 2HG GLU 28 5.039 15.377 -6.738 188 HA PRO 29 HA PRO 29 2.984 10.279 -11.487 189 HB2 PRO 29 1HB PRO 29 2.541 11.937 -13.590 190 HB3 PRO 29 2HB PRO 29 1.248 11.360 -12.532 191 HG2 PRO 29 1HG PRO 29 2.691 13.983 -12.503 192 HG3 PRO 29 2HG PRO 29 0.958 13.657 -12.311 193 HD2 PRO 29 1HD PRO 29 2.589 14.152 -10.207 194 HD3 PRO 29 2HD PRO 29 1.185 13.071 -10.094 195 HA PRO 30 HA PRO 30 7.213 10.718 -12.711 196 HB2 PRO 30 1HB PRO 30 7.267 8.759 -14.590 197 HB3 PRO 30 2HB PRO 30 7.244 8.425 -12.854 198 HG2 PRO 30 1HG PRO 30 4.987 8.387 -14.821 199 HG3 PRO 30 2HG PRO 30 5.358 7.240 -13.521 200 HD2 PRO 30 1HD PRO 30 3.465 9.160 -13.274 201 HD3 PRO 30 2HD PRO 30 4.427 8.585 -11.897 202 H THR 31 H THR 31 8.422 11.650 -14.332 203 HA THR 31 HA THR 31 7.045 12.332 -16.838 204 HB THR 31 HB THR 31 6.892 14.300 -15.391 205 HG1 THR 31 1HG THR 31 8.916 14.911 -17.264 206 HG21 THR 31 1HG2 THR 31 8.669 15.297 -14.315 207 HG22 THR 31 2HG2 THR 31 9.859 14.632 -15.435 208 HG23 THR 31 3HG2 THR 31 9.130 13.599 -14.205 209 H SER 32 H SER 32 10.146 12.266 -15.107 210 HA SER 32 HA SER 32 11.880 12.621 -17.223 211 HB2 SER 32 1HB SER 32 12.045 11.294 -14.578 212 HB3 SER 32 2HB SER 32 13.285 10.845 -15.749 213 HG SER 32 HG SER 32 12.658 13.446 -14.810 214 HA PRO 33 HA PRO 33 11.926 7.863 -18.037 215 HB2 PRO 33 1HB PRO 33 10.083 6.351 -16.738 216 HB3 PRO 33 2HB PRO 33 11.681 6.701 -16.070 217 HG2 PRO 33 1HG PRO 33 9.052 8.003 -15.475 218 HG3 PRO 33 2HG PRO 33 10.337 7.515 -14.355 219 HD2 PRO 33 1HD PRO 33 10.009 10.077 -15.169 220 HD3 PRO 33 2HD PRO 33 11.603 9.391 -14.791 221 H SER 34 H SER 34 8.590 8.783 -17.153 222 HA SER 34 HA SER 34 7.778 8.937 -19.892 223 HB2 SER 34 1HB SER 34 7.822 6.405 -19.199 224 HB3 SER 34 2HB SER 34 6.322 6.807 -18.365 225 HG SER 34 HG SER 34 5.805 6.151 -20.428 226 H GLY 35 H GLY 35 5.791 9.952 -20.149 227 HA2 GLY 35 1HA GLY 35 4.623 10.981 -17.641 228 HA3 GLY 35 2HA GLY 35 4.632 11.850 -19.168 229 H ASN 36 H ASN 36 3.813 9.726 -20.847 230 HA ASN 36 HA ASN 36 1.017 9.932 -20.596 231 HB2 ASN 36 1HB ASN 36 2.746 8.101 -22.266 232 HB3 ASN 36 2HB ASN 36 0.991 8.165 -22.404 233 HD21 ASN 36 1HD2 ASN 36 3.897 9.450 -23.455 234 HD22 ASN 36 2HD2 ASN 36 3.282 10.831 -24.293 235 H ILE 37 H ILE 37 0.392 9.192 -18.563 236 HA ILE 37 HA ILE 37 0.674 6.291 -18.124 237 HB ILE 37 HB ILE 37 0.218 8.477 -16.090 238 HG12 ILE 37 1HG1 ILE 37 2.526 8.338 -16.975 239 HG13 ILE 37 2HG1 ILE 37 2.438 7.898 -15.273 240 HG21 ILE 37 1HG2 ILE 37 -0.925 6.706 -15.163 241 HG22 ILE 37 2HG2 ILE 37 0.123 5.501 -15.908 242 HG23 ILE 37 3HG2 ILE 37 0.699 6.438 -14.530 243 HD11 ILE 37 1HD1 ILE 37 3.468 6.003 -15.738 244 HD12 ILE 37 2HD1 ILE 37 2.116 5.528 -16.767 245 HD13 ILE 37 3HD1 ILE 37 3.480 6.409 -17.454 246 H LEU 38 H LEU 38 -1.121 5.431 -19.024 247 HA LEU 38 HA LEU 38 -3.606 6.468 -19.378 248 HB2 LEU 38 1HB LEU 38 -3.162 3.633 -18.476 249 HB3 LEU 38 2HB LEU 38 -4.458 4.247 -19.501 250 HG LEU 38 HG LEU 38 -1.545 4.048 -20.264 251 HD11 LEU 38 1HD1 LEU 38 -2.096 2.193 -21.565 252 HD12 LEU 38 2HD1 LEU 38 -3.827 2.510 -21.454 253 HD13 LEU 38 3HD1 LEU 38 -2.948 1.914 -20.046 254 HD21 LEU 38 1HD2 LEU 38 -1.972 5.336 -22.023 255 HD22 LEU 38 2HD2 LEU 38 -3.507 5.756 -21.261 256 HD23 LEU 38 3HD2 LEU 38 -3.430 4.424 -22.415 257 H GLU 39 H GLU 39 -2.653 4.536 -16.533 258 HA GLU 39 HA GLU 39 -4.323 6.184 -14.834 259 HB2 GLU 39 1HB GLU 39 -4.947 3.312 -15.447 260 HB3 GLU 39 2HB GLU 39 -5.372 4.003 -13.887 261 HG2 GLU 39 1HG GLU 39 -6.651 5.764 -15.081 262 HG3 GLU 39 2HG GLU 39 -6.321 4.917 -16.591 263 H TYR 40 H TYR 40 -4.284 5.085 -12.506 264 HA TYR 40 HA TYR 40 -1.559 4.085 -12.021 265 HB2 TYR 40 1HB TYR 40 -3.018 6.283 -10.553 266 HB3 TYR 40 2HB TYR 40 -1.602 5.470 -9.897 267 HD1 TYR 40 1HD TYR 40 0.603 5.826 -10.873 268 HD2 TYR 40 2HD TYR 40 -2.823 7.826 -12.411 269 HE1 TYR 40 1HE TYR 40 2.066 7.383 -12.092 270 HE2 TYR 40 2HE TYR 40 -1.370 9.387 -13.635 271 HH TYR 40 HH TYR 40 0.883 9.521 -14.490 272 H SER 41 H SER 41 -1.336 3.137 -9.789 273 HA SER 41 HA SER 41 -3.692 2.223 -8.447 274 HB2 SER 41 1HB SER 41 -3.575 -0.110 -8.952 275 HB3 SER 41 2HB SER 41 -3.564 0.737 -10.499 276 HG SER 41 HG SER 41 -1.190 0.559 -10.322 277 H ALA 42 H ALA 42 -3.245 1.250 -6.460 278 HA ALA 42 HA ALA 42 -0.403 1.310 -5.674 279 HB1 ALA 42 1HB ALA 42 -1.276 1.790 -3.364 280 HB2 ALA 42 2HB ALA 42 -1.516 3.077 -4.547 281 HB3 ALA 42 3HB ALA 42 -2.863 2.031 -4.096 282 H TYR 43 H TYR 43 0.162 -0.139 -3.860 283 HA TYR 43 HA TYR 43 -1.560 -2.481 -3.570 284 HB2 TYR 43 1HB TYR 43 1.286 -2.585 -4.582 285 HB3 TYR 43 2HB TYR 43 0.397 -3.990 -4.004 286 HD1 TYR 43 2HD TYR 43 0.362 -1.321 -6.586 287 HD2 TYR 43 1HD TYR 43 -1.043 -5.169 -5.436 288 HE1 TYR 43 2HE TYR 43 -0.579 -1.643 -8.835 289 HE2 TYR 43 1HE TYR 43 -1.987 -5.502 -7.683 290 HH TYR 43 HH TYR 43 -2.807 -3.959 -9.582 291 H LEU 44 H LEU 44 -0.863 -3.914 -1.824 292 HA LEU 44 HA LEU 44 1.063 -2.806 0.060 293 HB2 LEU 44 1HB LEU 44 -1.044 -1.738 0.663 294 HB3 LEU 44 2HB LEU 44 -1.823 -3.315 0.770 295 HG LEU 44 HG LEU 44 -0.024 -3.774 2.601 296 HD11 LEU 44 1HD1 LEU 44 0.788 -1.885 3.771 297 HD12 LEU 44 2HD1 LEU 44 -0.187 -0.777 2.805 298 HD13 LEU 44 3HD1 LEU 44 1.175 -1.623 2.070 299 HD21 LEU 44 1HD2 LEU 44 -2.619 -3.285 2.703 300 HD22 LEU 44 2HD2 LEU 44 -2.067 -1.808 3.493 301 HD23 LEU 44 3HD2 LEU 44 -1.638 -3.382 4.165 302 H ALA 45 H ALA 45 2.095 -4.338 1.229 303 HA ALA 45 HA ALA 45 1.647 -7.091 0.527 304 HB1 ALA 45 1HB ALA 45 3.525 -7.210 2.469 305 HB2 ALA 45 2HB ALA 45 3.874 -6.884 0.771 306 HB3 ALA 45 3HB ALA 45 3.732 -5.548 1.913 307 H ILE 46 H ILE 46 0.483 -8.545 1.603 308 HA ILE 46 HA ILE 46 -0.147 -8.052 4.432 309 HB ILE 46 HB ILE 46 -2.426 -8.610 4.176 310 HG12 ILE 46 1HG1 ILE 46 -2.118 -10.455 2.565 311 HG13 ILE 46 2HG1 ILE 46 -3.421 -9.376 2.081 312 HG21 ILE 46 1HG2 ILE 46 -3.168 -7.005 2.309 313 HG22 ILE 46 2HG2 ILE 46 -2.199 -6.357 3.631 314 HG23 ILE 46 3HG2 ILE 46 -1.445 -6.710 2.077 315 HD11 ILE 46 1HD1 ILE 46 -2.349 -9.678 0.092 316 HD12 ILE 46 2HD1 ILE 46 -1.524 -8.235 0.680 317 HD13 ILE 46 3HD1 ILE 46 -0.759 -9.815 0.841 318 H ARG 47 H ARG 47 -0.427 -9.884 5.713 319 HA ARG 47 HA ARG 47 0.706 -12.328 4.566 320 HB2 ARG 47 1HB ARG 47 1.111 -13.013 6.875 321 HB3 ARG 47 2HB ARG 47 1.789 -11.419 6.572 322 HG2 ARG 47 1HG ARG 47 -0.501 -10.594 7.531 323 HG3 ARG 47 2HG ARG 47 -0.537 -12.203 8.255 324 HD2 ARG 47 1HD ARG 47 1.802 -11.700 9.112 325 HD3 ARG 47 2HD ARG 47 1.501 -10.027 8.644 326 HE ARG 47 HE ARG 47 0.220 -9.800 10.515 327 HH11 ARG 47 2HH1 ARG 47 0.469 -13.187 9.748 328 HH12 ARG 47 1HH1 ARG 47 -0.368 -13.705 11.173 329 HH21 ARG 47 2HH2 ARG 47 -0.884 -10.470 12.395 330 HH22 ARG 47 1HH2 ARG 47 -1.138 -12.158 12.678 331 H THR 48 H THR 48 -0.374 -14.228 4.473 332 HA THR 48 HA THR 48 -3.210 -14.169 5.251 333 HB THR 48 HB THR 48 -3.575 -15.946 3.620 334 HG1 THR 48 1HG THR 48 -0.773 -15.705 3.143 335 HG21 THR 48 1HG2 THR 48 -2.214 -13.430 2.748 336 HG22 THR 48 2HG2 THR 48 -3.904 -13.908 2.581 337 HG23 THR 48 3HG2 THR 48 -2.675 -14.632 1.544 338 H ALA 49 H ALA 49 -4.148 -15.942 6.310 339 HA ALA 49 HA ALA 49 -2.213 -17.654 7.725 340 HB1 ALA 49 1HB ALA 49 -3.985 -15.948 8.840 341 HB2 ALA 49 2HB ALA 49 -4.938 -17.432 8.812 342 HB3 ALA 49 3HB ALA 49 -3.378 -17.401 9.634 343 H GLN 50 H GLN 50 -2.994 -18.418 5.175 344 HA GLN 50 HA GLN 50 -4.893 -20.610 5.678 345 HB2 GLN 50 1HB GLN 50 -5.669 -19.135 3.927 346 HB3 GLN 50 2HB GLN 50 -4.125 -19.248 3.094 347 HG2 GLN 50 1HG GLN 50 -4.510 -21.560 2.576 348 HG3 GLN 50 2HG GLN 50 -5.982 -21.570 3.546 349 HE21 GLN 50 1HE2 GLN 50 -7.763 -20.258 2.822 350 HE22 GLN 50 2HE2 GLN 50 -7.962 -19.940 1.136 351 H MET 51 H MET 51 -4.211 -22.659 5.539 352 HA MET 51 HA MET 51 -1.533 -23.353 5.542 353 HB2 MET 51 1HB MET 51 -3.615 -24.730 6.216 354 HB3 MET 51 2HB MET 51 -3.647 -25.237 4.533 355 HG2 MET 51 1HG MET 51 -1.243 -25.554 6.307 356 HG3 MET 51 2HG MET 51 -2.486 -26.789 6.122 357 HE1 MET 51 1HE MET 51 -1.011 -28.938 3.948 358 HE2 MET 51 2HE MET 51 0.384 -28.269 4.795 359 HE3 MET 51 3HE MET 51 -1.159 -28.440 5.633 360 H GLN 52 H GLN 52 -0.070 -23.149 3.990 361 HA GLN 52 HA GLN 52 -0.497 -24.259 1.385 362 HB2 GLN 52 1HB GLN 52 -1.559 -21.931 1.320 363 HB3 GLN 52 2HB GLN 52 0.078 -21.303 1.452 364 HG2 GLN 52 1HG GLN 52 0.625 -22.688 -0.595 365 HG3 GLN 52 2HG GLN 52 -1.112 -22.925 -0.773 366 HE21 GLN 52 1HE2 GLN 52 0.204 -21.758 -2.792 367 HE22 GLN 52 2HE2 GLN 52 -0.161 -20.071 -2.874 368 H ASP 53 H ASP 53 1.379 -25.013 0.630 369 HA ASP 53 HA ASP 53 3.802 -24.455 2.103 370 HB2 ASP 53 1HB ASP 53 4.780 -26.163 0.498 371 HB3 ASP 53 2HB ASP 53 3.480 -26.740 1.538 372 H ASN 54 H ASN 54 4.190 -22.273 1.557 373 HA ASN 54 HA ASN 54 5.452 -21.954 -1.066 374 HB2 ASN 54 1HB ASN 54 4.451 -19.590 -1.114 375 HB3 ASN 54 2HB ASN 54 3.377 -20.928 -1.510 376 HD21 ASN 54 1HD2 ASN 54 3.554 -18.130 0.124 377 HD22 ASN 54 2HD2 ASN 54 2.365 -18.412 1.345 378 HA PRO 55 HA PRO 55 8.682 -20.173 1.341 379 HB2 PRO 55 1HB PRO 55 9.977 -18.827 -0.629 380 HB3 PRO 55 2HB PRO 55 10.044 -20.585 -0.463 381 HG2 PRO 55 1HG PRO 55 8.354 -18.918 -2.287 382 HG3 PRO 55 2HG PRO 55 9.239 -20.414 -2.638 383 HD2 PRO 55 1HD PRO 55 6.573 -20.375 -2.167 384 HD3 PRO 55 2HD PRO 55 7.603 -21.748 -1.713 385 H SER 56 H SER 56 9.644 -18.059 1.886 386 HA SER 56 HA SER 56 7.676 -16.132 2.443 387 HB2 SER 56 1HB SER 56 9.996 -16.585 3.570 388 HB3 SER 56 2HB SER 56 10.591 -15.421 2.386 389 HG SER 56 HG SER 56 8.866 -15.046 4.552 390 H GLN 57 H GLN 57 6.657 -15.492 0.546 391 HA GLN 57 HA GLN 57 8.275 -13.759 -1.201 392 HB2 GLN 57 1HB GLN 57 7.427 -15.984 -2.195 393 HB3 GLN 57 2HB GLN 57 5.838 -15.231 -2.167 394 HG2 GLN 57 1HG GLN 57 6.634 -14.863 -4.326 395 HG3 GLN 57 2HG GLN 57 6.887 -13.332 -3.489 396 HE21 GLN 57 1HE2 GLN 57 8.278 -15.632 -5.434 397 HE22 GLN 57 2HE2 GLN 57 9.939 -15.207 -5.217 398 H LEU 58 H LEU 58 7.738 -11.860 -0.163 399 HA LEU 58 HA LEU 58 5.410 -10.999 0.912 400 HB2 LEU 58 1HB LEU 58 7.591 -9.640 -0.558 401 HB3 LEU 58 2HB LEU 58 6.113 -8.718 -0.292 402 HG LEU 58 HG LEU 58 7.734 -10.002 1.904 403 HD11 LEU 58 1HD1 LEU 58 8.946 -8.115 2.159 404 HD12 LEU 58 2HD1 LEU 58 7.643 -7.068 1.597 405 HD13 LEU 58 3HD1 LEU 58 8.631 -7.949 0.432 406 HD21 LEU 58 1HD2 LEU 58 5.139 -9.301 1.993 407 HD22 LEU 58 2HD2 LEU 58 5.887 -7.759 2.407 408 HD23 LEU 58 3HD2 LEU 58 6.228 -9.193 3.376 409 H VAL 59 H VAL 59 3.388 -11.020 0.212 410 HA VAL 59 HA VAL 59 2.877 -10.700 -2.668 411 HB VAL 59 HB VAL 59 1.110 -11.902 -0.532 412 HG11 VAL 59 1HG1 VAL 59 -0.604 -11.750 -1.935 413 HG12 VAL 59 2HG1 VAL 59 0.401 -10.763 -2.999 414 HG13 VAL 59 3HG1 VAL 59 0.330 -12.512 -3.222 415 HG21 VAL 59 1HG2 VAL 59 2.520 -13.633 -0.860 416 HG22 VAL 59 2HG2 VAL 59 1.553 -13.879 -2.314 417 HG23 VAL 59 3HG2 VAL 59 3.087 -13.015 -2.412 418 H PHE 60 H PHE 60 2.168 -8.780 -3.291 419 HA PHE 60 HA PHE 60 0.805 -7.060 -1.343 420 HB2 PHE 60 1HB PHE 60 1.928 -6.261 -4.031 421 HB3 PHE 60 2HB PHE 60 1.423 -5.195 -2.725 422 HD1 PHE 60 1HD PHE 60 4.004 -7.547 -3.857 423 HD2 PHE 60 2HD PHE 60 2.853 -4.746 -0.866 424 HE1 PHE 60 1HE PHE 60 6.302 -7.546 -2.978 425 HE2 PHE 60 2HE PHE 60 5.149 -4.740 0.017 426 HZ PHE 60 HZ PHE 60 6.878 -6.141 -1.039 427 H MET 61 H MET 61 -1.249 -6.379 -1.623 428 HA MET 61 HA MET 61 -2.648 -7.318 -4.040 429 HB2 MET 61 1HB MET 61 -4.609 -7.663 -2.751 430 HB3 MET 61 2HB MET 61 -3.290 -8.376 -1.833 431 HG2 MET 61 1HG MET 61 -3.208 -6.410 -0.400 432 HG3 MET 61 2HG MET 61 -4.510 -5.672 -1.331 433 HE1 MET 61 1HE MET 61 -5.376 -6.638 2.322 434 HE2 MET 61 2HE MET 61 -4.808 -5.391 1.212 435 HE3 MET 61 3HE MET 61 -6.527 -5.780 1.297 436 H ARG 62 H ARG 62 -4.223 -5.973 -4.977 437 HA ARG 62 HA ARG 62 -3.615 -3.193 -4.872 438 HB2 ARG 62 1HB ARG 62 -4.423 -4.498 -6.895 439 HB3 ARG 62 2HB ARG 62 -6.028 -4.445 -6.177 440 HG2 ARG 62 1HG ARG 62 -5.698 -1.901 -6.116 441 HG3 ARG 62 2HG ARG 62 -4.374 -2.192 -7.246 442 HD2 ARG 62 1HD ARG 62 -7.160 -3.232 -7.698 443 HD3 ARG 62 2HD ARG 62 -6.633 -1.646 -8.261 444 HE ARG 62 HE ARG 62 -4.780 -3.499 -9.179 445 HH11 ARG 62 2HH1 ARG 62 -8.161 -2.784 -9.596 446 HH12 ARG 62 1HH1 ARG 62 -8.225 -3.401 -11.214 447 HH21 ARG 62 2HH2 ARG 62 -4.852 -4.313 -11.308 448 HH22 ARG 62 1HH2 ARG 62 -6.342 -4.271 -12.187 449 H ILE 63 H ILE 63 -4.234 -1.900 -3.277 450 HA ILE 63 HA ILE 63 -6.765 -2.436 -1.893 451 HB ILE 63 HB ILE 63 -5.941 -0.867 -0.171 452 HG12 ILE 63 1HG1 ILE 63 -3.329 -0.902 -1.689 453 HG13 ILE 63 2HG1 ILE 63 -4.481 0.426 -1.779 454 HG21 ILE 63 1HG2 ILE 63 -4.826 -3.440 -0.845 455 HG22 ILE 63 2HG2 ILE 63 -3.673 -2.465 0.065 456 HG23 ILE 63 3HG2 ILE 63 -5.274 -2.786 0.731 457 HD11 ILE 63 1HD1 ILE 63 -2.420 0.341 -0.066 458 HD12 ILE 63 2HD1 ILE 63 -3.918 1.220 0.245 459 HD13 ILE 63 3HD1 ILE 63 -3.679 -0.388 0.931 460 H TYR 64 H TYR 64 -5.438 -0.419 -4.243 461 HA TYR 64 HA TYR 64 -7.808 1.263 -4.201 462 HB2 TYR 64 1HB TYR 64 -6.366 2.620 -2.866 463 HB3 TYR 64 2HB TYR 64 -5.004 2.353 -3.949 464 HD1 TYR 64 2HD TYR 64 -5.014 3.414 -6.213 465 HD2 TYR 64 1HD TYR 64 -7.934 4.356 -3.266 466 HE1 TYR 64 2HE TYR 64 -5.589 5.463 -7.446 467 HE2 TYR 64 1HE TYR 64 -8.518 6.407 -4.491 468 HH TYR 64 HH TYR 64 -7.148 7.112 -7.650 469 H CYS 65 H CYS 65 -8.515 1.690 -6.203 470 HA CYS 65 HA CYS 65 -6.645 1.333 -8.448 471 HB2 CYS 65 1HB CYS 65 -8.344 -0.587 -7.991 472 HB3 CYS 65 2HB CYS 65 -9.529 0.525 -8.667 473 HG CYS 65 HG CYS 65 -8.952 0.164 -11.157 474 H GLY 66 H GLY 66 -6.377 3.393 -9.103 475 HA2 GLY 66 1HA GLY 66 -8.507 4.709 -10.453 476 HA3 GLY 66 2HA GLY 66 -8.176 5.491 -8.914 477 H LEU 67 H LEU 67 -7.881 6.907 -11.225 478 HA LEU 67 HA LEU 67 -5.115 6.844 -12.065 479 HB2 LEU 67 1HB LEU 67 -5.768 8.830 -13.418 480 HB3 LEU 67 2HB LEU 67 -6.715 7.378 -13.739 481 HG LEU 67 HG LEU 67 -7.783 9.407 -11.830 482 HD11 LEU 67 1HD1 LEU 67 -7.466 9.745 -14.769 483 HD12 LEU 67 2HD1 LEU 67 -7.391 10.944 -13.478 484 HD13 LEU 67 3HD1 LEU 67 -8.951 10.309 -14.001 485 HD21 LEU 67 1HD2 LEU 67 -9.774 8.496 -13.497 486 HD22 LEU 67 2HD2 LEU 67 -9.400 7.871 -11.891 487 HD23 LEU 67 3HD2 LEU 67 -8.722 7.092 -13.321 488 H LYS 68 H LYS 68 -7.103 8.609 -9.825 489 HA LYS 68 HA LYS 68 -5.698 10.940 -9.434 490 HB2 LYS 68 1HB LYS 68 -7.835 9.972 -8.259 491 HB3 LYS 68 2HB LYS 68 -6.683 9.409 -7.055 492 HG2 LYS 68 1HG LYS 68 -7.483 11.475 -6.273 493 HG3 LYS 68 2HG LYS 68 -5.866 11.795 -6.905 494 HD2 LYS 68 1HD LYS 68 -7.138 13.551 -7.756 495 HD3 LYS 68 2HD LYS 68 -7.081 12.403 -9.096 496 HE2 LYS 68 1HE LYS 68 -9.327 12.251 -7.138 497 HE3 LYS 68 2HE LYS 68 -9.345 13.513 -8.368 498 HZ1 LYS 68 1HZ LYS 68 -10.060 12.037 -9.832 499 HZ2 LYS 68 2HZ LYS 68 -10.071 10.834 -8.645 500 HZ3 LYS 68 3HZ LYS 68 -8.690 11.075 -9.590 501 H THR 69 H THR 69 -3.887 11.563 -8.337 502 HA THR 69 HA THR 69 -1.962 9.465 -7.752 503 HB THR 69 HB THR 69 -0.362 11.369 -7.446 504 HG1 THR 69 1HG THR 69 -1.052 13.400 -7.618 505 HG21 THR 69 1HG2 THR 69 -1.897 10.977 -9.991 506 HG22 THR 69 2HG2 THR 69 -0.270 10.437 -9.576 507 HG23 THR 69 3HG2 THR 69 -0.575 12.141 -9.912 508 H SER 70 H SER 70 -4.090 9.537 -5.937 509 HA SER 70 HA SER 70 -2.680 9.681 -3.476 510 HB2 SER 70 1HB SER 70 -3.989 11.445 -2.386 511 HB3 SER 70 2HB SER 70 -3.111 12.092 -3.771 512 HG SER 70 HG SER 70 -4.995 12.121 -4.940 513 H CYS 71 H CYS 71 -3.524 8.194 -2.170 514 HA CYS 71 HA CYS 71 -6.373 7.519 -2.456 515 HB2 CYS 71 1HB CYS 71 -5.894 5.171 -2.320 516 HB3 CYS 71 2HB CYS 71 -4.894 5.848 -3.600 517 HG CYS 71 HG CYS 71 -3.631 5.428 -0.463 518 H THR 72 H THR 72 -7.082 6.075 -0.553 519 HA THR 72 HA THR 72 -5.799 7.015 1.927 520 HB THR 72 HB THR 72 -8.780 6.695 1.545 521 HG1 THR 72 1HG THR 72 -8.814 8.968 1.493 522 HG21 THR 72 1HG2 THR 72 -8.654 8.176 3.689 523 HG22 THR 72 2HG2 THR 72 -7.022 7.521 3.820 524 HG23 THR 72 3HG2 THR 72 -8.410 6.435 3.816 525 H VAL 73 H VAL 73 -5.533 5.538 3.523 526 HA VAL 73 HA VAL 73 -6.495 2.808 2.973 527 HB VAL 73 HB VAL 73 -4.075 3.647 4.576 528 HG11 VAL 73 1HG1 VAL 73 -4.560 0.856 3.666 529 HG12 VAL 73 2HG1 VAL 73 -3.677 1.449 5.074 530 HG13 VAL 73 3HG1 VAL 73 -5.441 1.448 5.074 531 HG21 VAL 73 1HG2 VAL 73 -2.744 3.214 2.771 532 HG22 VAL 73 2HG2 VAL 73 -3.886 2.072 2.062 533 HG23 VAL 73 3HG2 VAL 73 -4.181 3.806 1.937 534 H THR 74 H THR 74 -8.002 2.061 4.296 535 HA THR 74 HA THR 74 -8.646 3.462 6.739 536 HB THR 74 HB THR 74 -10.520 1.878 6.924 537 HG1 THR 74 1HG THR 74 -9.317 0.707 4.622 538 HG21 THR 74 1HG2 THR 74 -11.496 2.384 4.546 539 HG22 THR 74 2HG2 THR 74 -10.033 3.355 4.372 540 HG23 THR 74 3HG2 THR 74 -11.174 3.703 5.671 541 H ALA 75 H ALA 75 -8.758 2.494 8.819 542 HA ALA 75 HA ALA 75 -6.532 1.184 9.711 543 HB1 ALA 75 1HB ALA 75 -9.280 0.916 10.923 544 HB2 ALA 75 2HB ALA 75 -7.735 0.698 11.746 545 HB3 ALA 75 3HB ALA 75 -8.202 2.292 11.154 546 H GLY 76 H GLY 76 -9.682 -0.358 9.034 547 HA2 GLY 76 1HA GLY 76 -9.098 -2.970 9.582 548 HA3 GLY 76 2HA GLY 76 -10.156 -2.479 8.267 549 H GLN 77 H GLN 77 -8.147 -1.160 6.709 550 HA GLN 77 HA GLN 77 -7.123 -3.422 5.309 551 HB2 GLN 77 1HB GLN 77 -6.632 -0.463 4.952 552 HB3 GLN 77 2HB GLN 77 -6.039 -1.701 3.853 553 HG2 GLN 77 1HG GLN 77 -8.953 -1.395 4.493 554 HG3 GLN 77 2HG GLN 77 -8.168 -0.486 3.203 555 HE21 GLN 77 1HE2 GLN 77 -6.985 -1.803 1.586 556 HE22 GLN 77 2HE2 GLN 77 -7.680 -3.313 1.114 557 H LEU 78 H LEU 78 -5.615 -0.823 7.203 558 HA LEU 78 HA LEU 78 -2.957 -1.490 6.873 559 HB2 LEU 78 1HB LEU 78 -4.490 -0.242 9.112 560 HB3 LEU 78 2HB LEU 78 -2.780 -0.609 9.324 561 HG LEU 78 HG LEU 78 -3.791 1.092 7.058 562 HD11 LEU 78 1HD1 LEU 78 -3.905 2.931 8.334 563 HD12 LEU 78 2HD1 LEU 78 -2.540 2.444 9.338 564 HD13 LEU 78 3HD1 LEU 78 -4.147 1.792 9.659 565 HD21 LEU 78 1HD2 LEU 78 -1.376 -0.062 7.419 566 HD22 LEU 78 2HD2 LEU 78 -1.130 1.468 8.261 567 HD23 LEU 78 3HD2 LEU 78 -1.624 1.462 6.567 568 H ALA 79 H ALA 79 -5.283 -2.795 9.206 569 HA ALA 79 HA ALA 79 -3.685 -4.342 10.795 570 HB1 ALA 79 1HB ALA 79 -6.289 -4.044 10.691 571 HB2 ALA 79 2HB ALA 79 -6.212 -5.556 9.785 572 HB3 ALA 79 3HB ALA 79 -5.574 -5.478 11.428 573 H ASN 80 H ASN 80 -4.783 -5.059 7.518 574 HA ASN 80 HA ASN 80 -3.718 -7.707 7.467 575 HB2 ASN 80 1HB ASN 80 -4.426 -5.908 5.138 576 HB3 ASN 80 2HB ASN 80 -4.219 -7.656 5.084 577 HD21 ASN 80 1HD2 ASN 80 -6.475 -5.408 4.945 578 HD22 ASN 80 2HD2 ASN 80 -7.800 -6.216 5.704 579 H ALA 81 H ALA 81 -2.446 -4.541 6.867 580 HA ALA 81 HA ALA 81 -0.231 -5.251 5.265 581 HB1 ALA 81 1HB ALA 81 -1.311 -2.900 6.115 582 HB2 ALA 81 2HB ALA 81 0.173 -2.977 7.066 583 HB3 ALA 81 3HB ALA 81 0.248 -3.062 5.306 584 H HIS 82 H HIS 82 1.876 -5.745 5.777 585 HA HIS 82 HA HIS 82 2.290 -6.795 8.471 586 HB2 HIS 82 1HB HIS 82 3.923 -8.191 7.580 587 HB3 HIS 82 2HB HIS 82 2.781 -8.061 6.246 588 HD1 HIS 82 1HD HIS 82 6.286 -7.576 7.090 589 HD2 HIS 82 2HD HIS 82 3.658 -6.160 4.200 590 HE1 HIS 82 1HE HIS 82 7.737 -6.617 5.274 591 HE2 HIS 82 2HE HIS 82 6.124 -5.689 3.576 592 H ILE 83 H ILE 83 4.033 -6.221 9.772 593 HA ILE 83 HA ILE 83 5.333 -3.682 9.036 594 HB ILE 83 HB ILE 83 4.640 -4.747 11.775 595 HG12 ILE 83 1HG1 ILE 83 3.653 -2.342 10.226 596 HG13 ILE 83 2HG1 ILE 83 2.735 -3.806 10.561 597 HG21 ILE 83 1HG2 ILE 83 6.728 -2.990 11.006 598 HG22 ILE 83 2HG2 ILE 83 5.499 -2.040 11.839 599 HG23 ILE 83 3HG2 ILE 83 6.216 -3.443 12.631 600 HD11 ILE 83 1HD1 ILE 83 2.192 -3.131 12.618 601 HD12 ILE 83 2HD1 ILE 83 3.802 -2.487 12.940 602 HD13 ILE 83 3HD1 ILE 83 2.635 -1.529 12.029 603 H ASP 84 H ASP 84 7.415 -3.864 8.577 604 HA ASP 84 HA ASP 84 8.923 -6.208 9.192 605 HB2 ASP 84 1HB ASP 84 9.455 -5.098 7.155 606 HB3 ASP 84 2HB ASP 84 9.656 -3.549 7.970 607 H TYR 85 H TYR 85 9.743 -6.647 11.120 608 HA TYR 85 HA TYR 85 10.527 -4.420 12.872 609 HB2 TYR 85 1HB TYR 85 9.607 -7.227 13.420 610 HB3 TYR 85 2HB TYR 85 10.515 -6.330 14.632 611 HD1 TYR 85 1HD TYR 85 9.492 -3.661 14.536 612 HD2 TYR 85 2HD TYR 85 7.388 -7.326 14.042 613 HE1 TYR 85 1HE TYR 85 7.421 -2.565 15.282 614 HE2 TYR 85 2HE TYR 85 5.310 -6.240 14.786 615 HH TYR 85 HH TYR 85 4.476 -4.389 15.840 616 H THR 86 H THR 86 12.234 -5.208 10.764 617 HA THR 86 HA THR 86 14.328 -6.836 11.963 618 HB THR 86 HB THR 86 14.211 -5.496 9.253 619 HG1 THR 86 1HG THR 86 14.166 -8.027 8.893 620 HG21 THR 86 1HG2 THR 86 16.098 -7.686 10.068 621 HG22 THR 86 2HG2 THR 86 16.509 -5.987 10.304 622 HG23 THR 86 3HG2 THR 86 16.194 -6.601 8.681 623 H SER 87 H SER 87 14.157 -3.610 10.441 624 HA SER 87 HA SER 87 16.301 -2.749 12.272 625 HB2 SER 87 1HB SER 87 17.134 -2.881 9.974 626 HB3 SER 87 2HB SER 87 15.816 -1.848 9.421 627 HG SER 87 HG SER 87 16.696 -0.251 10.933 628 H ARG 88 H ARG 88 13.540 -1.629 10.333 629 HA ARG 88 HA ARG 88 12.875 0.245 12.484 630 HB2 ARG 88 1HB ARG 88 14.147 1.240 10.377 631 HB3 ARG 88 2HB ARG 88 12.535 1.189 9.676 632 HG2 ARG 88 1HG ARG 88 11.734 2.822 11.044 633 HG3 ARG 88 2HG ARG 88 12.839 2.415 12.360 634 HD2 ARG 88 1HD ARG 88 14.669 3.261 10.708 635 HD3 ARG 88 2HD ARG 88 13.318 4.075 9.921 636 HE ARG 88 HE ARG 88 13.292 5.580 11.636 637 HH11 ARG 88 2HH1 ARG 88 15.020 2.739 12.666 638 HH12 ARG 88 1HH1 ARG 88 15.520 3.431 14.174 639 HH21 ARG 88 2HH2 ARG 88 13.945 6.502 13.618 640 HH22 ARG 88 1HH2 ARG 88 14.908 5.571 14.714 641 HA PRO 89 HA PRO 89 8.946 -1.708 11.772 642 HB2 PRO 89 1HB PRO 89 7.565 -0.266 13.612 643 HB3 PRO 89 2HB PRO 89 8.654 -1.588 14.048 644 HG2 PRO 89 1HG PRO 89 9.148 1.364 14.087 645 HG3 PRO 89 2HG PRO 89 9.596 0.139 15.288 646 HD2 PRO 89 1HD PRO 89 11.360 1.126 13.486 647 HD3 PRO 89 2HD PRO 89 11.443 -0.542 14.090 648 H ALA 90 H ALA 90 8.823 -0.741 9.614 649 HA ALA 90 HA ALA 90 6.943 1.526 9.562 650 HB1 ALA 90 1HB ALA 90 7.996 2.394 7.576 651 HB2 ALA 90 2HB ALA 90 9.205 2.231 8.850 652 HB3 ALA 90 3HB ALA 90 9.133 1.045 7.546 653 H ILE 91 H ILE 91 5.682 1.630 7.506 654 HA ILE 91 HA ILE 91 4.734 -1.040 6.844 655 HB ILE 91 HB ILE 91 3.635 1.690 6.170 656 HG12 ILE 91 1HG1 ILE 91 2.588 -0.474 8.008 657 HG13 ILE 91 2HG1 ILE 91 3.450 0.965 8.541 658 HG21 ILE 91 1HG2 ILE 91 2.325 -0.971 5.654 659 HG22 ILE 91 2HG2 ILE 91 1.751 0.626 5.175 660 HG23 ILE 91 3HG2 ILE 91 3.195 -0.054 4.425 661 HD11 ILE 91 1HD1 ILE 91 1.629 2.237 8.397 662 HD12 ILE 91 2HD1 ILE 91 1.153 1.546 6.845 663 HD13 ILE 91 3HD1 ILE 91 0.743 0.713 8.344 664 H VAL 92 H VAL 92 5.051 -2.045 4.954 665 HA VAL 92 HA VAL 92 6.738 -0.741 2.971 666 HB VAL 92 HB VAL 92 5.754 -3.595 2.994 667 HG11 VAL 92 1HG1 VAL 92 7.513 -4.029 1.429 668 HG12 VAL 92 2HG1 VAL 92 6.569 -2.666 0.826 669 HG13 VAL 92 3HG1 VAL 92 8.132 -2.386 1.593 670 HG21 VAL 92 1HG2 VAL 92 8.000 -2.266 4.411 671 HG22 VAL 92 2HG2 VAL 92 6.993 -3.625 4.910 672 HG23 VAL 92 3HG2 VAL 92 8.284 -3.869 3.733 673 H PHE 93 H PHE 93 5.659 0.504 1.569 674 HA PHE 93 HA PHE 93 3.090 -0.434 0.512 675 HB2 PHE 93 1HB PHE 93 4.408 2.265 0.640 676 HB3 PHE 93 2HB PHE 93 3.076 1.962 -0.472 677 HD1 PHE 93 2HD PHE 93 0.923 0.964 0.575 678 HD2 PHE 93 1HD PHE 93 3.966 2.941 2.799 679 HE1 PHE 93 2HE PHE 93 -0.686 1.396 2.385 680 HE2 PHE 93 1HE PHE 93 2.362 3.375 4.614 681 HZ PHE 93 HZ PHE 93 0.032 2.603 4.408 682 H ARG 94 H ARG 94 2.671 -0.143 -1.805 683 HA ARG 94 HA ARG 94 5.061 -0.193 -3.495 684 HB2 ARG 94 1HB ARG 94 2.993 -2.365 -3.278 685 HB3 ARG 94 2HB ARG 94 3.918 -2.136 -4.756 686 HG2 ARG 94 1HG ARG 94 5.346 -2.392 -2.150 687 HG3 ARG 94 2HG ARG 94 4.719 -3.832 -2.956 688 HD2 ARG 94 1HD ARG 94 5.985 -3.267 -4.964 689 HD3 ARG 94 2HD ARG 94 6.592 -1.809 -4.180 690 HE ARG 94 HE ARG 94 7.314 -3.861 -2.517 691 HH11 ARG 94 2HH1 ARG 94 7.849 -3.063 -5.863 692 HH12 ARG 94 1HH1 ARG 94 9.391 -3.850 -5.939 693 HH21 ARG 94 2HH2 ARG 94 9.342 -4.900 -2.605 694 HH22 ARG 94 1HH2 ARG 94 10.239 -4.895 -4.085 695 H ILE 95 H ILE 95 4.814 1.077 -5.209 696 HA ILE 95 HA ILE 95 2.124 1.488 -6.310 697 HB ILE 95 HB ILE 95 4.065 3.763 -5.935 698 HG12 ILE 95 1HG1 ILE 95 1.583 3.315 -4.287 699 HG13 ILE 95 2HG1 ILE 95 3.156 2.715 -3.773 700 HG21 ILE 95 1HG2 ILE 95 2.297 5.168 -6.612 701 HG22 ILE 95 2HG2 ILE 95 2.302 3.824 -7.753 702 HG23 ILE 95 3HG2 ILE 95 1.108 3.876 -6.457 703 HD11 ILE 95 1HD1 ILE 95 3.938 4.786 -3.287 704 HD12 ILE 95 2HD1 ILE 95 2.955 5.572 -4.522 705 HD13 ILE 95 3HD1 ILE 95 2.219 5.059 -3.004 706 H SER 96 H SER 96 2.024 1.751 -8.506 707 HA SER 96 HA SER 96 4.517 1.987 -10.014 708 HB2 SER 96 1HB SER 96 3.895 -0.474 -9.651 709 HB3 SER 96 2HB SER 96 2.525 -0.166 -10.718 710 HG SER 96 HG SER 96 5.258 -0.236 -11.294 711 H ALA 97 H ALA 97 3.784 1.827 -12.517 712 HA ALA 97 HA ALA 97 1.368 3.472 -12.846 713 HB1 ALA 97 1HB ALA 97 2.457 5.204 -13.738 714 HB2 ALA 97 2HB ALA 97 3.909 4.500 -13.027 715 HB3 ALA 97 3HB ALA 97 3.498 4.162 -14.708 716 H LYS 98 H LYS 98 0.144 3.030 -14.615 717 HA LYS 98 HA LYS 98 0.775 0.609 -16.070 718 HB2 LYS 98 1HB LYS 98 -1.548 1.479 -15.137 719 HB3 LYS 98 2HB LYS 98 -1.620 2.274 -16.704 720 HG2 LYS 98 1HG LYS 98 -1.365 0.127 -17.822 721 HG3 LYS 98 2HG LYS 98 -1.252 -0.682 -16.257 722 HD2 LYS 98 1HD LYS 98 -3.484 -0.436 -15.815 723 HD3 LYS 98 2HD LYS 98 -3.621 1.039 -16.774 724 HE2 LYS 98 1HE LYS 98 -3.245 -0.444 -18.809 725 HE3 LYS 98 2HE LYS 98 -3.523 -1.810 -17.730 726 HZ1 LYS 98 1HZ LYS 98 -5.496 -0.865 -19.028 727 HZ2 LYS 98 2HZ LYS 98 -5.471 0.400 -17.905 728 HZ3 LYS 98 3HZ LYS 98 -5.715 -1.191 -17.383 729 H ASN 99 H ASN 99 1.152 0.429 -18.252 730 HA ASN 99 HA ASN 99 1.716 2.955 -19.657 731 HB2 ASN 99 1HB ASN 99 3.632 1.327 -19.140 732 HB3 ASN 99 2HB ASN 99 2.913 0.280 -20.361 733 HD21 ASN 99 1HD2 ASN 99 5.461 1.916 -20.140 734 HD22 ASN 99 2HD2 ASN 99 5.527 2.781 -21.635 735 H GLU 100 H GLU 100 0.932 -0.437 -20.453 736 HA GLU 100 HA GLU 100 -0.948 0.584 -22.480 737 HB2 GLU 100 1HB GLU 100 1.039 -1.663 -22.652 738 HB3 GLU 100 2HB GLU 100 -0.392 -1.647 -23.672 739 HG2 GLU 100 1HG GLU 100 0.280 0.331 -24.760 740 HG3 GLU 100 2HG GLU 100 1.530 0.654 -23.560 741 H LYS 101 H LYS 101 -0.140 -2.523 -20.921 742 HA LYS 101 HA LYS 101 -2.999 -2.831 -20.279 743 HB2 LYS 101 1HB LYS 101 -1.066 -4.763 -21.489 744 HB3 LYS 101 2HB LYS 101 -2.335 -5.381 -20.441 745 HG2 LYS 101 1HG LYS 101 -3.108 -3.516 -22.617 746 HG3 LYS 101 2HG LYS 101 -2.662 -5.168 -23.048 747 HD2 LYS 101 1HD LYS 101 -4.304 -5.863 -21.185 748 HD3 LYS 101 2HD LYS 101 -4.917 -4.213 -21.315 749 HE2 LYS 101 1HE LYS 101 -6.289 -5.394 -22.766 750 HE3 LYS 101 2HE LYS 101 -5.070 -4.714 -23.843 751 HZ1 LYS 101 1HZ LYS 101 -5.511 -7.490 -23.051 752 HZ2 LYS 101 2HZ LYS 101 -3.911 -7.004 -23.298 753 HZ3 LYS 101 3HZ LYS 101 -5.042 -6.854 -24.547 754 H GLY 102 H GLY 102 0.289 -3.052 -19.242 755 HA2 GLY 102 1HA GLY 102 -0.661 -3.843 -16.560 756 HA3 GLY 102 2HA GLY 102 0.828 -4.487 -17.235 757 H TYR 103 H TYR 103 1.581 -3.556 -15.105 758 HA TYR 103 HA TYR 103 2.230 -0.699 -15.425 759 HB2 TYR 103 1HB TYR 103 1.994 -2.331 -12.890 760 HB3 TYR 103 2HB TYR 103 2.516 -0.652 -12.959 761 HD1 TYR 103 1HD TYR 103 -0.337 -2.742 -14.186 762 HD2 TYR 103 2HD TYR 103 0.927 0.939 -12.468 763 HE1 TYR 103 1HE TYR 103 -2.682 -2.016 -14.034 764 HE2 TYR 103 2HE TYR 103 -1.415 1.676 -12.309 765 HH TYR 103 HH TYR 103 -3.900 0.265 -13.949 766 H GLY 104 H GLY 104 4.337 -0.030 -14.535 767 HA2 GLY 104 1HA GLY 104 6.389 -1.909 -15.367 768 HA3 GLY 104 2HA GLY 104 6.626 -0.217 -14.954 769 HA PRO 105 HA PRO 105 8.543 -2.389 -11.465 770 HB2 PRO 105 1HB PRO 105 10.172 -0.320 -10.804 771 HB3 PRO 105 2HB PRO 105 10.553 -1.469 -12.092 772 HG2 PRO 105 1HG PRO 105 9.383 1.279 -12.291 773 HG3 PRO 105 2HG PRO 105 10.640 0.523 -13.288 774 HD2 PRO 105 1HD PRO 105 8.062 0.718 -14.094 775 HD3 PRO 105 2HD PRO 105 9.109 -0.638 -14.561 776 H ALA 106 H ALA 106 7.993 -2.329 -9.350 777 HA ALA 106 HA ALA 106 6.265 -0.128 -8.478 778 HB1 ALA 106 1HB ALA 106 5.957 -1.894 -6.515 779 HB2 ALA 106 2HB ALA 106 5.053 -1.996 -8.026 780 HB3 ALA 106 3HB ALA 106 6.482 -3.001 -7.784 781 H THR 107 H THR 107 6.967 1.338 -7.076 782 HA THR 107 HA THR 107 9.605 1.126 -5.946 783 HB THR 107 HB THR 107 7.495 3.268 -5.615 784 HG1 THR 107 1HG THR 107 8.714 4.355 -7.163 785 HG21 THR 107 1HG2 THR 107 9.283 3.022 -3.781 786 HG22 THR 107 2HG2 THR 107 9.079 4.607 -4.527 787 HG23 THR 107 3HG2 THR 107 10.421 3.571 -5.011 788 H GLN 108 H GLN 108 10.173 0.747 -3.864 789 HA GLN 108 HA GLN 108 7.999 0.020 -2.018 790 HB2 GLN 108 1HB GLN 108 9.373 -1.881 -2.485 791 HB3 GLN 108 2HB GLN 108 10.846 -0.957 -2.221 792 HG2 GLN 108 1HG GLN 108 9.935 -0.646 0.178 793 HG3 GLN 108 2HG GLN 108 8.898 -2.014 -0.221 794 HE21 GLN 108 1HE2 GLN 108 10.080 -3.006 1.573 795 HE22 GLN 108 2HE2 GLN 108 11.590 -3.777 1.243 796 H ILE 109 H ILE 109 7.636 1.400 -0.424 797 HA ILE 109 HA ILE 109 9.886 3.025 0.571 798 HB ILE 109 HB ILE 109 8.219 4.405 -0.572 799 HG12 ILE 109 1HG1 ILE 109 7.917 4.876 2.389 800 HG13 ILE 109 2HG1 ILE 109 9.450 5.130 1.562 801 HG21 ILE 109 1HG2 ILE 109 6.315 2.821 -0.071 802 HG22 ILE 109 2HG2 ILE 109 6.238 3.562 1.527 803 HG23 ILE 109 3HG2 ILE 109 5.952 4.540 0.087 804 HD11 ILE 109 1HD1 ILE 109 6.875 6.614 1.244 805 HD12 ILE 109 2HD1 ILE 109 8.483 7.236 1.615 806 HD13 ILE 109 3HD1 ILE 109 8.116 6.654 -0.008 807 H ARG 110 H ARG 110 9.893 3.542 2.823 808 HA ARG 110 HA ARG 110 8.322 1.671 4.472 809 HB2 ARG 110 1HB ARG 110 11.198 2.533 4.805 810 HB3 ARG 110 2HB ARG 110 10.291 1.660 6.032 811 HG2 ARG 110 1HG ARG 110 10.284 -0.296 4.836 812 HG3 ARG 110 2HG ARG 110 10.462 0.527 3.285 813 HD2 ARG 110 1HD ARG 110 12.664 0.688 5.292 814 HD3 ARG 110 2HD ARG 110 12.469 -0.785 4.342 815 HE ARG 110 HE ARG 110 12.481 1.581 2.732 816 HH11 ARG 110 2HH1 ARG 110 14.493 -0.749 4.357 817 HH12 ARG 110 1HH1 ARG 110 15.853 -0.497 3.313 818 HH21 ARG 110 2HH2 ARG 110 14.264 1.922 1.351 819 HH22 ARG 110 1HH2 ARG 110 15.722 1.024 1.604 820 H TRP 111 H TRP 111 6.762 3.024 5.215 821 HA TRP 111 HA TRP 111 7.497 5.639 6.270 822 HB2 TRP 111 1HB TRP 111 5.498 5.497 4.872 823 HB3 TRP 111 2HB TRP 111 4.796 4.310 5.968 824 HD1 TRP 111 HD TRP 111 6.180 7.930 6.354 825 HE1 TRP 111 1HE TRP 111 4.568 9.223 7.888 826 HE3 TRP 111 3HE TRP 111 2.823 4.200 7.333 827 HZ2 TRP 111 2HZ TRP 111 2.189 8.728 9.323 828 HZ3 TRP 111 3HZ TRP 111 0.907 4.693 8.796 829 HH2 TRP 111 HH TRP 111 0.599 6.910 9.770 830 H LEU 112 H LEU 112 8.094 5.841 8.316 831 HA LEU 112 HA LEU 112 8.038 3.858 10.246 832 HB2 LEU 112 1HB LEU 112 8.252 6.838 10.383 833 HB3 LEU 112 2HB LEU 112 8.175 5.887 11.864 834 HG LEU 112 HG LEU 112 10.476 6.607 10.806 835 HD11 LEU 112 1HD1 LEU 112 11.503 4.636 11.853 836 HD12 LEU 112 2HD1 LEU 112 9.918 3.869 11.937 837 HD13 LEU 112 3HD1 LEU 112 10.235 5.341 12.856 838 HD21 LEU 112 1HD2 LEU 112 10.177 5.670 8.627 839 HD22 LEU 112 2HD2 LEU 112 9.761 4.095 9.302 840 HD23 LEU 112 3HD2 LEU 112 11.403 4.719 9.465 841 H GLN 113 H GLN 113 6.170 2.829 10.706 842 HA GLN 113 HA GLN 113 3.637 4.052 10.883 843 HB2 GLN 113 1HB GLN 113 3.873 1.665 10.480 844 HB3 GLN 113 2HB GLN 113 4.630 1.447 12.052 845 HG2 GLN 113 1HG GLN 113 2.174 0.811 11.808 846 HG3 GLN 113 2HG GLN 113 2.639 1.789 13.199 847 HE21 GLN 113 1HE2 GLN 113 1.411 3.475 13.602 848 HE22 GLN 113 2HE2 GLN 113 0.407 4.302 12.465 849 H GLY 114 H GLY 114 6.049 3.219 13.339 850 HA2 GLY 114 1HA GLY 114 6.236 3.811 15.550 851 HA3 GLY 114 2HA GLY 114 5.467 5.312 15.056 852 H ASN 115 H ASN 115 4.082 5.682 16.698 853 HA ASN 115 HA ASN 115 2.026 3.629 17.176 854 HB2 ASN 115 1HB ASN 115 3.593 3.744 19.088 855 HB3 ASN 115 2HB ASN 115 3.229 5.458 19.266 856 HD21 ASN 115 1HD2 ASN 115 1.981 2.216 19.565 857 HD22 ASN 115 2HD2 ASN 115 0.641 2.616 20.580 858 H SER 116 H SER 116 -0.055 4.431 17.794 859 HA SER 116 HA SER 116 -0.511 7.214 16.936 860 HB2 SER 116 1HB SER 116 -2.746 6.492 16.194 861 HB3 SER 116 2HB SER 116 -1.477 5.576 15.380 862 HG SER 116 HG SER 116 -3.025 4.719 17.601 863 H LYS 117 H LYS 117 -0.878 8.458 18.645 864 HA LYS 117 HA LYS 117 -2.093 7.364 21.047 865 HB2 LYS 117 1HB LYS 117 -0.106 9.111 20.798 866 HB3 LYS 117 2HB LYS 117 -1.437 10.260 20.781 867 HG2 LYS 117 1HG LYS 117 -1.234 8.192 22.932 868 HG3 LYS 117 2HG LYS 117 -0.307 9.692 23.021 869 HD2 LYS 117 1HD LYS 117 -2.186 10.376 24.111 870 HD3 LYS 117 2HD LYS 117 -2.689 10.735 22.458 871 HE2 LYS 117 1HE LYS 117 -4.513 9.555 23.139 872 HE3 LYS 117 2HE LYS 117 -3.517 8.217 22.568 873 HZ1 LYS 117 1HZ LYS 117 -2.837 7.747 24.790 874 HZ2 LYS 117 2HZ LYS 117 -4.525 7.850 24.782 875 HZ3 LYS 117 3HZ LYS 117 -3.603 9.131 25.390 876 H SER 118 H SER 118 -2.648 10.437 19.331 877 HA SER 118 HA SER 118 -5.472 10.279 20.056 878 HB2 SER 118 1HB SER 118 -3.865 12.373 20.254 879 HB3 SER 118 2HB SER 118 -4.321 12.604 18.567 880 HG SER 118 HG SER 118 -6.188 12.261 20.674 881 H GLY 119 H GLY 119 -7.133 10.170 18.602 882 HA2 GLY 119 1HA GLY 119 -6.420 10.026 15.746 883 HA3 GLY 119 2HA GLY 119 -7.367 8.744 16.485 884 HA PRO 120 HA PRO 120 -10.838 11.088 15.031 885 HB2 PRO 120 1HB PRO 120 -12.755 9.500 16.114 886 HB3 PRO 120 2HB PRO 120 -11.850 9.059 14.661 887 HG2 PRO 120 1HG PRO 120 -11.428 8.185 17.492 888 HG3 PRO 120 2HG PRO 120 -11.379 7.221 16.005 889 HD2 PRO 120 1HD PRO 120 -9.139 8.091 17.251 890 HD3 PRO 120 2HD PRO 120 -9.236 7.895 15.489 891 H SER 121 H SER 121 -12.226 12.609 15.852 892 HA SER 121 HA SER 121 -12.199 12.949 18.779 893 HB2 SER 121 1HB SER 121 -12.379 15.351 18.414 894 HB3 SER 121 2HB SER 121 -10.988 14.722 17.531 895 HG SER 121 HG SER 121 -13.029 16.093 16.570 896 H SER 122 H SER 122 -14.083 12.575 19.718 897 HA SER 122 HA SER 122 -16.465 11.997 18.466 898 HB2 SER 122 1HB SER 122 -17.481 12.045 20.592 899 HB3 SER 122 2HB SER 122 -15.791 11.677 20.934 900 HG SER 122 HG SER 122 -15.949 13.337 22.218 901 H GLY 123 H GLY 123 -18.505 13.170 18.406 902 HA2 GLY 123 1HA GLY 123 -19.766 15.181 18.387 903 HA3 GLY 123 2HA GLY 123 -18.263 16.092 18.400 Start of MODEL 13 1 H1 GLY 1 H GLY 1 13.883 -7.845 -8.944 2 HA2 GLY 1 1HA GLY 1 14.962 -6.617 -10.555 3 HA3 GLY 1 2HA GLY 1 15.865 -8.086 -10.890 4 H SER 2 H SER 2 14.575 -9.748 -12.207 5 HA SER 2 HA SER 2 14.214 -8.996 -14.747 6 HB2 SER 2 1HB SER 2 14.052 -11.317 -14.216 7 HB3 SER 2 2HB SER 2 12.624 -11.057 -13.214 8 HG SER 2 HG SER 2 11.556 -10.379 -15.185 9 H SER 3 H SER 3 13.216 -7.194 -15.409 10 HA SER 3 HA SER 3 10.333 -7.038 -15.134 11 HB2 SER 3 1HB SER 3 11.101 -5.814 -13.153 12 HB3 SER 3 2HB SER 3 12.125 -4.796 -14.165 13 HG SER 3 HG SER 3 10.450 -3.619 -14.605 14 H GLY 4 H GLY 4 9.382 -5.399 -16.552 15 HA2 GLY 4 1HA GLY 4 10.213 -5.497 -19.144 16 HA3 GLY 4 2HA GLY 4 9.258 -4.170 -18.499 17 H SER 5 H SER 5 11.475 -4.323 -20.529 18 HA SER 5 HA SER 5 13.532 -2.683 -19.260 19 HB2 SER 5 1HB SER 5 13.401 -3.720 -22.101 20 HB3 SER 5 2HB SER 5 14.796 -2.978 -21.318 21 HG SER 5 HG SER 5 15.273 -4.932 -20.732 22 H SER 6 H SER 6 11.239 -2.531 -21.968 23 HA SER 6 HA SER 6 11.590 0.394 -22.002 24 HB2 SER 6 1HB SER 6 10.898 -1.572 -24.172 25 HB3 SER 6 2HB SER 6 10.484 0.134 -24.333 26 HG SER 6 HG SER 6 12.482 -0.079 -25.218 27 H GLY 7 H GLY 7 10.068 1.114 -20.598 28 HA2 GLY 7 1HA GLY 7 7.308 0.897 -21.427 29 HA3 GLY 7 2HA GLY 7 7.654 0.123 -19.888 30 HA PRO 8 HA PRO 8 6.492 4.448 -18.888 31 HB2 PRO 8 1HB PRO 8 5.206 3.793 -16.589 32 HB3 PRO 8 2HB PRO 8 4.429 3.729 -18.176 33 HG2 PRO 8 1HG PRO 8 5.617 1.508 -16.558 34 HG3 PRO 8 2HG PRO 8 4.100 1.537 -17.475 35 HD2 PRO 8 1HD PRO 8 6.355 0.378 -18.425 36 HD3 PRO 8 2HD PRO 8 5.161 1.155 -19.485 37 H GLY 9 H GLY 9 6.725 5.542 -16.619 38 HA2 GLY 9 1HA GLY 9 9.329 4.674 -15.536 39 HA3 GLY 9 2HA GLY 9 8.759 6.336 -15.564 40 H ALA 10 H ALA 10 9.744 5.139 -13.254 41 HA ALA 10 HA ALA 10 7.463 4.343 -11.640 42 HB1 ALA 10 1HB ALA 10 10.413 4.394 -11.256 43 HB2 ALA 10 2HB ALA 10 9.373 4.409 -9.830 44 HB3 ALA 10 3HB ALA 10 9.260 3.086 -10.990 45 HA PRO 11 HA PRO 11 6.564 8.351 -10.061 46 HB2 PRO 11 1HB PRO 11 5.438 7.653 -7.691 47 HB3 PRO 11 2HB PRO 11 4.623 7.432 -9.244 48 HG2 PRO 11 1HG PRO 11 6.111 5.434 -7.585 49 HG3 PRO 11 2HG PRO 11 4.572 5.249 -8.445 50 HD2 PRO 11 1HD PRO 11 6.914 4.316 -9.432 51 HD3 PRO 11 2HD PRO 11 5.605 4.904 -10.477 52 H SER 12 H SER 12 7.462 9.896 -8.766 53 HA SER 12 HA SER 12 9.333 9.020 -6.674 54 HB2 SER 12 1HB SER 12 10.985 10.639 -7.397 55 HB3 SER 12 2HB SER 12 10.573 9.601 -8.762 56 HG SER 12 HG SER 12 9.251 11.248 -9.557 57 H THR 13 H THR 13 9.980 10.875 -5.233 58 HA THR 13 HA THR 13 9.439 12.548 -3.784 59 HB THR 13 HB THR 13 7.467 13.514 -5.859 60 HG1 THR 13 1HG THR 13 9.256 13.703 -7.010 61 HG21 THR 13 1HG2 THR 13 8.527 14.560 -3.324 62 HG22 THR 13 2HG2 THR 13 7.036 14.955 -4.179 63 HG23 THR 13 3HG2 THR 13 8.556 15.705 -4.665 64 H VAL 14 H VAL 14 8.143 10.072 -3.523 65 HA VAL 14 HA VAL 14 5.338 10.376 -3.142 66 HB VAL 14 HB VAL 14 7.235 8.304 -2.031 67 HG11 VAL 14 1HG1 VAL 14 4.471 7.496 -2.312 68 HG12 VAL 14 2HG1 VAL 14 5.547 7.367 -0.920 69 HG13 VAL 14 3HG1 VAL 14 4.643 8.855 -1.202 70 HG21 VAL 14 1HG2 VAL 14 6.677 6.948 -3.855 71 HG22 VAL 14 2HG2 VAL 14 5.287 7.943 -4.287 72 HG23 VAL 14 3HG2 VAL 14 6.922 8.544 -4.564 73 H ARG 15 H ARG 15 4.193 10.988 -1.394 74 HA ARG 15 HA ARG 15 5.647 11.485 1.114 75 HB2 ARG 15 1HB ARG 15 3.848 13.345 -0.408 76 HB3 ARG 15 2HB ARG 15 4.011 13.491 1.337 77 HG2 ARG 15 1HG ARG 15 6.402 13.840 1.109 78 HG3 ARG 15 2HG ARG 15 6.279 13.630 -0.639 79 HD2 ARG 15 1HD ARG 15 6.210 15.905 -0.537 80 HD3 ARG 15 2HD ARG 15 4.488 15.561 -0.374 81 HE ARG 15 HE ARG 15 5.695 15.636 2.173 82 HH11 ARG 15 2HH1 ARG 15 4.739 17.724 -0.443 83 HH12 ARG 15 1HH1 ARG 15 4.491 19.103 0.576 84 HH21 ARG 15 2HH2 ARG 15 5.372 17.444 3.525 85 HH22 ARG 15 1HH2 ARG 15 4.852 18.943 2.833 86 H ILE 16 H ILE 16 4.546 11.048 2.988 87 HA ILE 16 HA ILE 16 1.789 10.052 2.715 88 HB ILE 16 HB ILE 16 3.962 8.796 4.397 89 HG12 ILE 16 1HG1 ILE 16 2.492 7.622 2.033 90 HG13 ILE 16 2HG1 ILE 16 4.066 8.398 1.902 91 HG21 ILE 16 1HG2 ILE 16 1.256 7.613 3.950 92 HG22 ILE 16 2HG2 ILE 16 2.401 7.331 5.260 93 HG23 ILE 16 3HG2 ILE 16 1.487 8.837 5.198 94 HD11 ILE 16 1HD1 ILE 16 4.381 6.037 2.001 95 HD12 ILE 16 2HD1 ILE 16 4.947 6.734 3.520 96 HD13 ILE 16 3HD1 ILE 16 3.387 5.914 3.452 97 H SER 17 H SER 17 0.433 11.129 3.972 98 HA SER 17 HA SER 17 1.469 12.339 6.453 99 HB2 SER 17 1HB SER 17 0.917 14.150 5.036 100 HB3 SER 17 2HB SER 17 -0.557 13.365 4.469 101 HG SER 17 HG SER 17 -0.979 15.012 6.010 102 H LYS 18 H LYS 18 0.001 12.468 8.242 103 HA LYS 18 HA LYS 18 -1.569 10.093 8.545 104 HB2 LYS 18 1HB LYS 18 -0.184 11.243 10.348 105 HB3 LYS 18 2HB LYS 18 -1.477 12.432 10.446 106 HG2 LYS 18 1HG LYS 18 -2.087 11.005 12.119 107 HG3 LYS 18 2HG LYS 18 -2.983 10.311 10.765 108 HD2 LYS 18 1HD LYS 18 -2.014 8.402 11.518 109 HD3 LYS 18 2HD LYS 18 -0.690 8.962 10.492 110 HE2 LYS 18 1HE LYS 18 -0.761 9.936 13.293 111 HE3 LYS 18 2HE LYS 18 -0.335 8.245 13.034 112 HZ1 LYS 18 1HZ LYS 18 1.506 8.849 11.733 113 HZ2 LYS 18 2HZ LYS 18 1.559 9.881 13.072 114 HZ3 LYS 18 3HZ LYS 18 0.997 10.455 11.583 115 H ASN 19 H ASN 19 -3.677 9.827 8.206 116 HA ASN 19 HA ASN 19 -5.301 12.213 7.653 117 HB2 ASN 19 1HB ASN 19 -4.976 10.232 5.970 118 HB3 ASN 19 2HB ASN 19 -6.176 9.426 6.977 119 HD21 ASN 19 1HD2 ASN 19 -7.620 9.399 5.231 120 HD22 ASN 19 2HD2 ASN 19 -8.477 10.820 4.748 121 H VAL 20 H VAL 20 -7.354 12.454 8.567 122 HA VAL 20 HA VAL 20 -7.650 11.770 11.238 123 HB VAL 20 HB VAL 20 -9.824 12.469 9.260 124 HG11 VAL 20 1HG1 VAL 20 -11.061 13.213 11.296 125 HG12 VAL 20 2HG1 VAL 20 -10.833 11.467 11.185 126 HG13 VAL 20 3HG1 VAL 20 -9.824 12.421 12.273 127 HG21 VAL 20 1HG2 VAL 20 -9.553 14.734 9.988 128 HG22 VAL 20 2HG2 VAL 20 -8.379 14.253 11.214 129 HG23 VAL 20 3HG2 VAL 20 -7.971 14.123 9.503 130 H ASP 21 H ASP 21 -8.876 10.147 8.354 131 HA ASP 21 HA ASP 21 -10.352 8.189 9.864 132 HB2 ASP 21 1HB ASP 21 -11.152 8.842 7.661 133 HB3 ASP 21 2HB ASP 21 -9.637 8.321 6.928 134 H GLY 22 H GLY 22 -7.163 8.486 8.510 135 HA2 GLY 22 1HA GLY 22 -6.067 6.407 10.009 136 HA3 GLY 22 2HA GLY 22 -6.481 5.741 8.436 137 H ILE 23 H ILE 23 -5.179 6.130 6.720 138 HA ILE 23 HA ILE 23 -2.943 8.005 7.127 139 HB ILE 23 HB ILE 23 -2.807 5.275 5.841 140 HG12 ILE 23 1HG1 ILE 23 -1.209 6.253 8.196 141 HG13 ILE 23 2HG1 ILE 23 -2.807 5.550 8.413 142 HG21 ILE 23 1HG2 ILE 23 -1.266 6.330 4.562 143 HG22 ILE 23 2HG2 ILE 23 -1.017 7.623 5.734 144 HG23 ILE 23 3HG2 ILE 23 -0.250 6.053 5.977 145 HD11 ILE 23 1HD1 ILE 23 -1.859 3.576 7.045 146 HD12 ILE 23 2HD1 ILE 23 -0.289 4.259 7.470 147 HD13 ILE 23 3HD1 ILE 23 -1.404 3.753 8.740 148 H HIS 24 H HIS 24 -2.359 9.256 5.410 149 HA HIS 24 HA HIS 24 -4.036 9.020 3.001 150 HB2 HIS 24 1HB HIS 24 -4.398 11.095 4.258 151 HB3 HIS 24 2HB HIS 24 -2.680 11.467 4.155 152 HD1 HIS 24 1HD HIS 24 -5.848 11.786 2.325 153 HD2 HIS 24 2HD HIS 24 -1.792 12.127 1.492 154 HE1 HIS 24 1HE HIS 24 -5.713 12.993 0.123 155 HE2 HIS 24 2HE HIS 24 -3.253 13.112 -0.402 156 H LEU 25 H LEU 25 -2.842 7.832 1.609 157 HA LEU 25 HA LEU 25 0.003 8.286 1.320 158 HB2 LEU 25 1HB LEU 25 -1.399 6.059 1.112 159 HB3 LEU 25 2HB LEU 25 -1.547 6.582 -0.564 160 HG LEU 25 HG LEU 25 1.099 6.783 -0.316 161 HD11 LEU 25 1HD1 LEU 25 1.173 6.122 2.011 162 HD12 LEU 25 2HD1 LEU 25 1.948 4.895 1.008 163 HD13 LEU 25 3HD1 LEU 25 0.323 4.622 1.638 164 HD21 LEU 25 1HD2 LEU 25 0.261 3.995 -0.685 165 HD22 LEU 25 2HD2 LEU 25 1.130 5.076 -1.775 166 HD23 LEU 25 3HD2 LEU 25 -0.627 5.171 -1.654 167 H SER 26 H SER 26 1.026 9.222 -0.401 168 HA SER 26 HA SER 26 -0.539 10.161 -2.671 169 HB2 SER 26 1HB SER 26 -0.406 11.904 -0.690 170 HB3 SER 26 2HB SER 26 1.208 12.193 -1.339 171 HG SER 26 HG SER 26 0.358 12.956 -3.170 172 H TRP 27 H TRP 27 0.849 11.081 -4.387 173 HA TRP 27 HA TRP 27 3.677 10.725 -4.282 174 HB2 TRP 27 1HB TRP 27 3.811 8.909 -5.966 175 HB3 TRP 27 2HB TRP 27 3.095 8.374 -4.448 176 HD1 TRP 27 HD TRP 27 2.225 8.998 -8.115 177 HE1 TRP 27 1HE TRP 27 -0.051 7.909 -8.621 178 HE3 TRP 27 3HE TRP 27 0.878 7.688 -3.361 179 HZ2 TRP 27 2HZ TRP 27 -2.141 6.660 -7.194 180 HZ3 TRP 27 3HZ TRP 27 -1.276 6.549 -3.017 181 HH2 TRP 27 HH TRP 27 -2.753 6.047 -4.895 182 H GLU 28 H GLU 28 4.545 10.758 -6.694 183 HA GLU 28 HA GLU 28 2.884 12.658 -8.214 184 HB2 GLU 28 1HB GLU 28 5.855 12.768 -7.688 185 HB3 GLU 28 2HB GLU 28 5.051 13.742 -8.911 186 HG2 GLU 28 1HG GLU 28 4.236 13.807 -6.026 187 HG3 GLU 28 2HG GLU 28 5.511 14.838 -6.673 188 HA PRO 29 HA PRO 29 3.483 10.122 -11.745 189 HB2 PRO 29 1HB PRO 29 3.517 11.973 -13.731 190 HB3 PRO 29 2HB PRO 29 2.047 11.531 -12.855 191 HG2 PRO 29 1HG PRO 29 3.849 13.889 -12.463 192 HG3 PRO 29 2HG PRO 29 2.077 13.824 -12.466 193 HD2 PRO 29 1HD PRO 29 3.527 13.910 -10.181 194 HD3 PRO 29 2HD PRO 29 1.976 13.054 -10.295 195 HA PRO 30 HA PRO 30 7.805 9.945 -12.624 196 HB2 PRO 30 1HB PRO 30 7.725 8.347 -14.817 197 HB3 PRO 30 2HB PRO 30 7.448 7.744 -13.178 198 HG2 PRO 30 1HG PRO 30 5.457 8.464 -15.294 199 HG3 PRO 30 2HG PRO 30 5.470 7.070 -14.198 200 HD2 PRO 30 1HD PRO 30 3.928 9.252 -13.760 201 HD3 PRO 30 2HD PRO 30 4.614 8.286 -12.438 202 H THR 31 H THR 31 9.334 10.878 -13.948 203 HA THR 31 HA THR 31 8.297 12.726 -15.962 204 HB THR 31 HB THR 31 9.698 13.822 -14.390 205 HG1 THR 31 1HG THR 31 10.400 13.617 -16.963 206 HG21 THR 31 1HG2 THR 31 11.443 11.430 -14.742 207 HG22 THR 31 2HG2 THR 31 10.954 12.259 -13.265 208 HG23 THR 31 3HG2 THR 31 12.188 12.967 -14.306 209 H SER 32 H SER 32 7.974 11.370 -17.726 210 HA SER 32 HA SER 32 10.352 10.772 -19.246 211 HB2 SER 32 1HB SER 32 8.607 8.601 -18.120 212 HB3 SER 32 2HB SER 32 9.437 8.367 -19.658 213 HG SER 32 HG SER 32 11.368 9.105 -18.368 214 HA PRO 33 HA PRO 33 7.730 11.664 -22.648 215 HB2 PRO 33 1HB PRO 33 8.780 10.092 -24.596 216 HB3 PRO 33 2HB PRO 33 9.595 11.536 -23.984 217 HG2 PRO 33 1HG PRO 33 10.058 8.662 -23.287 218 HG3 PRO 33 2HG PRO 33 11.244 9.944 -23.592 219 HD2 PRO 33 1HD PRO 33 10.568 9.149 -21.094 220 HD3 PRO 33 2HD PRO 33 11.028 10.821 -21.472 221 H SER 34 H SER 34 7.511 8.827 -21.022 222 HA SER 34 HA SER 34 6.362 6.855 -22.367 223 HB2 SER 34 1HB SER 34 4.668 6.623 -20.502 224 HB3 SER 34 2HB SER 34 6.343 6.776 -19.974 225 HG SER 34 HG SER 34 5.168 8.173 -18.736 226 H GLY 35 H GLY 35 4.397 6.302 -23.322 227 HA2 GLY 35 1HA GLY 35 3.138 8.314 -24.836 228 HA3 GLY 35 2HA GLY 35 2.560 6.665 -24.649 229 H ASN 36 H ASN 36 0.694 6.379 -23.617 230 HA ASN 36 HA ASN 36 -0.430 8.668 -22.162 231 HB2 ASN 36 1HB ASN 36 -1.686 6.312 -23.560 232 HB3 ASN 36 2HB ASN 36 -2.599 7.312 -22.434 233 HD21 ASN 36 1HD2 ASN 36 -2.777 6.856 -25.380 234 HD22 ASN 36 2HD2 ASN 36 -2.764 8.440 -26.070 235 H ILE 37 H ILE 37 -0.454 8.602 -20.023 236 HA ILE 37 HA ILE 37 0.060 6.101 -18.639 237 HB ILE 37 HB ILE 37 -0.230 8.911 -17.573 238 HG12 ILE 37 1HG1 ILE 37 1.758 8.623 -18.960 239 HG13 ILE 37 2HG1 ILE 37 2.217 8.773 -17.267 240 HG21 ILE 37 1HG2 ILE 37 0.637 6.385 -16.173 241 HG22 ILE 37 2HG2 ILE 37 0.694 8.008 -15.487 242 HG23 ILE 37 3HG2 ILE 37 -0.859 7.275 -15.890 243 HD11 ILE 37 1HD1 ILE 37 2.361 6.276 -17.187 244 HD12 ILE 37 2HD1 ILE 37 2.146 6.279 -18.938 245 HD13 ILE 37 3HD1 ILE 37 3.550 7.068 -18.221 246 H LEU 38 H LEU 38 -1.683 4.831 -18.421 247 HA LEU 38 HA LEU 38 -4.329 5.875 -18.064 248 HB2 LEU 38 1HB LEU 38 -3.384 3.045 -17.661 249 HB3 LEU 38 2HB LEU 38 -5.035 3.586 -17.953 250 HG LEU 38 HG LEU 38 -2.887 4.024 -19.999 251 HD11 LEU 38 1HD1 LEU 38 -3.111 1.573 -19.204 252 HD12 LEU 38 2HD1 LEU 38 -3.164 1.924 -20.932 253 HD13 LEU 38 3HD1 LEU 38 -4.659 1.615 -20.049 254 HD21 LEU 38 1HD2 LEU 38 -5.741 3.420 -20.577 255 HD22 LEU 38 2HD2 LEU 38 -4.604 4.452 -21.445 256 HD23 LEU 38 3HD2 LEU 38 -5.332 5.012 -19.938 257 H GLU 39 H GLU 39 -5.678 4.763 -16.220 258 HA GLU 39 HA GLU 39 -5.266 5.955 -13.857 259 HB2 GLU 39 1HB GLU 39 -6.384 3.197 -14.345 260 HB3 GLU 39 2HB GLU 39 -6.446 3.982 -12.773 261 HG2 GLU 39 1HG GLU 39 -8.512 4.471 -13.658 262 HG3 GLU 39 2HG GLU 39 -7.583 5.919 -14.043 263 H TYR 40 H TYR 40 -4.383 5.378 -11.806 264 HA TYR 40 HA TYR 40 -1.884 3.884 -12.063 265 HB2 TYR 40 1HB TYR 40 -2.909 5.906 -10.088 266 HB3 TYR 40 2HB TYR 40 -1.513 4.903 -9.712 267 HD1 TYR 40 1HD TYR 40 0.432 4.939 -11.425 268 HD2 TYR 40 2HD TYR 40 -2.623 7.896 -11.259 269 HE1 TYR 40 1HE TYR 40 1.889 6.505 -12.640 270 HE2 TYR 40 2HE TYR 40 -1.175 9.469 -12.474 271 HH TYR 40 HH TYR 40 0.972 9.860 -13.135 272 H SER 41 H SER 41 -1.206 2.642 -10.050 273 HA SER 41 HA SER 41 -3.479 1.267 -8.800 274 HB2 SER 41 1HB SER 41 -2.411 0.038 -10.840 275 HB3 SER 41 2HB SER 41 -1.097 -0.315 -9.719 276 HG SER 41 HG SER 41 -3.826 -0.898 -9.210 277 H ALA 42 H ALA 42 -3.270 1.217 -6.669 278 HA ALA 42 HA ALA 42 -0.586 1.563 -5.510 279 HB1 ALA 42 1HB ALA 42 -3.285 2.507 -4.710 280 HB2 ALA 42 2HB ALA 42 -2.125 2.140 -3.432 281 HB3 ALA 42 3HB ALA 42 -1.731 3.341 -4.663 282 H TYR 43 H TYR 43 0.292 -0.160 -4.591 283 HA TYR 43 HA TYR 43 -1.478 -2.312 -3.643 284 HB2 TYR 43 1HB TYR 43 1.379 -2.384 -4.623 285 HB3 TYR 43 2HB TYR 43 0.582 -3.755 -3.858 286 HD1 TYR 43 2HD TYR 43 0.573 -1.553 -6.819 287 HD2 TYR 43 1HD TYR 43 -0.976 -5.103 -5.060 288 HE1 TYR 43 2HE TYR 43 -0.344 -2.226 -9.000 289 HE2 TYR 43 1HE TYR 43 -1.896 -5.787 -7.236 290 HH TYR 43 HH TYR 43 -1.394 -5.317 -9.676 291 H LEU 44 H LEU 44 -0.643 -3.572 -1.775 292 HA LEU 44 HA LEU 44 1.097 -2.087 0.035 293 HB2 LEU 44 1HB LEU 44 -1.039 -1.213 0.628 294 HB3 LEU 44 2HB LEU 44 -1.759 -2.822 0.632 295 HG LEU 44 HG LEU 44 -0.058 -3.257 2.572 296 HD11 LEU 44 1HD1 LEU 44 1.231 -1.320 2.610 297 HD12 LEU 44 2HD1 LEU 44 0.088 -1.082 3.931 298 HD13 LEU 44 3HD1 LEU 44 -0.167 -0.268 2.388 299 HD21 LEU 44 1HD2 LEU 44 -2.739 -2.072 2.496 300 HD22 LEU 44 2HD2 LEU 44 -1.884 -1.859 4.024 301 HD23 LEU 44 3HD2 LEU 44 -2.141 -3.480 3.375 302 H ALA 45 H ALA 45 2.539 -3.472 0.795 303 HA ALA 45 HA ALA 45 2.505 -6.219 0.432 304 HB1 ALA 45 1HB ALA 45 4.290 -4.369 1.456 305 HB2 ALA 45 2HB ALA 45 3.995 -5.470 2.803 306 HB3 ALA 45 3HB ALA 45 4.569 -6.100 1.259 307 H ILE 46 H ILE 46 1.544 -7.871 1.430 308 HA ILE 46 HA ILE 46 0.573 -7.535 4.172 309 HB ILE 46 HB ILE 46 -1.575 -8.628 3.585 310 HG12 ILE 46 1HG1 ILE 46 -2.130 -8.285 1.028 311 HG13 ILE 46 2HG1 ILE 46 -0.386 -8.432 0.846 312 HG21 ILE 46 1HG2 ILE 46 -2.327 -6.542 3.642 313 HG22 ILE 46 2HG2 ILE 46 -0.767 -5.941 3.082 314 HG23 ILE 46 3HG2 ILE 46 -2.008 -6.394 1.914 315 HD11 ILE 46 1HD1 ILE 46 -2.111 -10.504 0.805 316 HD12 ILE 46 2HD1 ILE 46 -0.408 -10.635 1.246 317 HD13 ILE 46 3HD1 ILE 46 -1.637 -10.502 2.503 318 H ARG 47 H ARG 47 -0.435 -9.769 4.882 319 HA ARG 47 HA ARG 47 1.457 -11.861 4.027 320 HB2 ARG 47 1HB ARG 47 0.419 -11.071 6.710 321 HB3 ARG 47 2HB ARG 47 0.776 -12.768 6.423 322 HG2 ARG 47 1HG ARG 47 3.064 -11.962 5.616 323 HG3 ARG 47 2HG ARG 47 2.646 -10.429 6.384 324 HD2 ARG 47 1HD ARG 47 2.686 -11.324 8.502 325 HD3 ARG 47 2HD ARG 47 2.331 -12.955 7.933 326 HE ARG 47 HE ARG 47 4.767 -12.562 6.919 327 HH11 ARG 47 2HH1 ARG 47 3.488 -11.964 10.101 328 HH12 ARG 47 1HH1 ARG 47 5.001 -12.232 10.902 329 HH21 ARG 47 2HH2 ARG 47 6.765 -12.916 7.962 330 HH22 ARG 47 1HH2 ARG 47 6.865 -12.772 9.684 331 H THR 48 H THR 48 0.681 -13.811 3.428 332 HA THR 48 HA THR 48 -2.237 -14.201 3.584 333 HB THR 48 HB THR 48 -1.459 -13.851 1.273 334 HG1 THR 48 1HG THR 48 -3.177 -15.158 1.219 335 HG21 THR 48 1HG2 THR 48 0.189 -15.072 0.249 336 HG22 THR 48 2HG2 THR 48 -0.055 -16.477 1.287 337 HG23 THR 48 3HG2 THR 48 0.807 -15.066 1.900 338 H ALA 49 H ALA 49 -2.868 -15.851 4.798 339 HA ALA 49 HA ALA 49 -0.988 -17.716 5.885 340 HB1 ALA 49 1HB ALA 49 -3.983 -17.498 6.107 341 HB2 ALA 49 2HB ALA 49 -3.026 -18.720 6.946 342 HB3 ALA 49 3HB ALA 49 -2.772 -17.009 7.293 343 H GLN 50 H GLN 50 -0.141 -19.069 4.369 344 HA GLN 50 HA GLN 50 -2.033 -20.908 3.073 345 HB2 GLN 50 1HB GLN 50 -0.541 -20.963 1.087 346 HB3 GLN 50 2HB GLN 50 -1.296 -19.396 1.345 347 HG2 GLN 50 1HG GLN 50 0.799 -18.628 2.430 348 HG3 GLN 50 2HG GLN 50 1.538 -20.167 1.992 349 HE21 GLN 50 1HE2 GLN 50 2.552 -17.722 1.164 350 HE22 GLN 50 2HE2 GLN 50 2.375 -17.593 -0.549 351 H MET 51 H MET 51 1.248 -20.339 4.243 352 HA MET 51 HA MET 51 2.813 -21.731 5.127 353 HB2 MET 51 1HB MET 51 0.284 -23.255 5.549 354 HB3 MET 51 2HB MET 51 1.810 -24.086 5.818 355 HG2 MET 51 1HG MET 51 2.459 -22.340 7.416 356 HG3 MET 51 2HG MET 51 0.900 -21.558 7.171 357 HE1 MET 51 1HE MET 51 -1.184 -22.263 9.142 358 HE2 MET 51 2HE MET 51 -0.110 -22.626 10.492 359 HE3 MET 51 3HE MET 51 0.325 -21.371 9.330 360 H GLN 52 H GLN 52 2.739 -21.592 2.379 361 HA GLN 52 HA GLN 52 3.478 -24.338 1.612 362 HB2 GLN 52 1HB GLN 52 1.811 -22.324 0.190 363 HB3 GLN 52 2HB GLN 52 2.883 -23.324 -0.783 364 HG2 GLN 52 1HG GLN 52 0.699 -24.269 1.056 365 HG3 GLN 52 2HG GLN 52 0.712 -24.331 -0.705 366 HE21 GLN 52 1HE2 GLN 52 0.573 -26.395 1.503 367 HE22 GLN 52 2HE2 GLN 52 1.777 -27.556 1.069 368 H ASP 53 H ASP 53 5.148 -24.502 -0.016 369 HA ASP 53 HA ASP 53 7.397 -22.957 0.522 370 HB2 ASP 53 1HB ASP 53 6.808 -24.549 -1.983 371 HB3 ASP 53 2HB ASP 53 8.401 -24.013 -1.457 372 H ASN 54 H ASN 54 6.928 -20.761 0.388 373 HA ASN 54 HA ASN 54 6.383 -19.725 -2.313 374 HB2 ASN 54 1HB ASN 54 5.229 -17.946 -1.399 375 HB3 ASN 54 2HB ASN 54 4.868 -19.203 -0.219 376 HD21 ASN 54 1HD2 ASN 54 6.346 -19.307 1.664 377 HD22 ASN 54 2HD2 ASN 54 6.917 -17.815 2.320 378 HA PRO 55 HA PRO 55 10.353 -17.866 -2.531 379 HB2 PRO 55 1HB PRO 55 9.803 -15.605 -3.929 380 HB3 PRO 55 2HB PRO 55 9.800 -17.213 -4.663 381 HG2 PRO 55 1HG PRO 55 7.494 -15.565 -3.700 382 HG3 PRO 55 2HG PRO 55 7.641 -16.524 -5.184 383 HD2 PRO 55 1HD PRO 55 6.307 -17.412 -3.001 384 HD3 PRO 55 2HD PRO 55 7.175 -18.504 -4.100 385 H SER 56 H SER 56 11.399 -15.557 -2.310 386 HA SER 56 HA SER 56 10.495 -14.515 0.274 387 HB2 SER 56 1HB SER 56 12.890 -15.324 -0.122 388 HB3 SER 56 2HB SER 56 13.105 -13.870 -1.096 389 HG SER 56 HG SER 56 13.195 -14.128 1.562 390 H GLN 57 H GLN 57 8.935 -13.734 -1.866 391 HA GLN 57 HA GLN 57 9.644 -10.886 -2.118 392 HB2 GLN 57 1HB GLN 57 8.596 -12.802 -4.160 393 HB3 GLN 57 2HB GLN 57 8.146 -11.106 -4.269 394 HG2 GLN 57 1HG GLN 57 10.002 -11.192 -5.613 395 HG3 GLN 57 2HG GLN 57 10.695 -10.681 -4.075 396 HE21 GLN 57 1HE2 GLN 57 9.829 -13.722 -5.695 397 HE22 GLN 57 2HE2 GLN 57 11.298 -14.543 -5.307 398 H LEU 58 H LEU 58 8.405 -10.231 -0.376 399 HA LEU 58 HA LEU 58 6.023 -10.942 0.574 400 HB2 LEU 58 1HB LEU 58 7.262 -8.284 0.163 401 HB3 LEU 58 2HB LEU 58 5.559 -8.311 0.616 402 HG LEU 58 HG LEU 58 7.485 -9.889 2.250 403 HD11 LEU 58 1HD1 LEU 58 7.750 -7.071 1.786 404 HD12 LEU 58 2HD1 LEU 58 8.728 -8.136 2.793 405 HD13 LEU 58 3HD1 LEU 58 7.286 -7.372 3.461 406 HD21 LEU 58 1HD2 LEU 58 5.069 -8.227 2.953 407 HD22 LEU 58 2HD2 LEU 58 5.948 -9.318 4.024 408 HD23 LEU 58 3HD2 LEU 58 5.051 -9.964 2.649 409 H VAL 59 H VAL 59 4.035 -11.282 -0.160 410 HA VAL 59 HA VAL 59 3.347 -10.519 -2.865 411 HB VAL 59 HB VAL 59 1.752 -12.049 -0.805 412 HG11 VAL 59 1HG1 VAL 59 0.803 -12.738 -3.289 413 HG12 VAL 59 2HG1 VAL 59 0.029 -11.620 -2.164 414 HG13 VAL 59 3HG1 VAL 59 1.078 -11.003 -3.441 415 HG21 VAL 59 1HG2 VAL 59 3.686 -12.853 -2.930 416 HG22 VAL 59 2HG2 VAL 59 3.498 -13.470 -1.288 417 HG23 VAL 59 3HG2 VAL 59 2.339 -13.922 -2.538 418 H PHE 60 H PHE 60 2.540 -8.577 -3.280 419 HA PHE 60 HA PHE 60 1.046 -7.152 -1.212 420 HB2 PHE 60 1HB PHE 60 2.063 -6.194 -3.896 421 HB3 PHE 60 2HB PHE 60 1.300 -5.187 -2.670 422 HD1 PHE 60 1HD PHE 60 4.133 -7.596 -2.977 423 HD2 PHE 60 2HD PHE 60 2.672 -3.966 -1.301 424 HE1 PHE 60 1HE PHE 60 6.333 -7.188 -1.952 425 HE2 PHE 60 2HE PHE 60 4.869 -3.553 -0.274 426 HZ PHE 60 HZ PHE 60 6.703 -5.164 -0.599 427 H MET 61 H MET 61 -0.969 -6.100 -1.708 428 HA MET 61 HA MET 61 -2.447 -7.300 -3.949 429 HB2 MET 61 1HB MET 61 -4.412 -7.576 -2.507 430 HB3 MET 61 2HB MET 61 -3.050 -8.520 -1.920 431 HG2 MET 61 1HG MET 61 -3.738 -7.633 0.043 432 HG3 MET 61 2HG MET 61 -2.643 -6.351 -0.467 433 HE1 MET 61 1HE MET 61 -5.131 -6.399 1.635 434 HE2 MET 61 2HE MET 61 -4.201 -4.906 1.508 435 HE3 MET 61 3HE MET 61 -5.958 -4.866 1.358 436 H ARG 62 H ARG 62 -3.490 -5.855 -5.158 437 HA ARG 62 HA ARG 62 -3.243 -3.130 -4.901 438 HB2 ARG 62 1HB ARG 62 -4.023 -4.415 -6.929 439 HB3 ARG 62 2HB ARG 62 -5.614 -4.487 -6.184 440 HG2 ARG 62 1HG ARG 62 -4.294 -1.840 -6.532 441 HG3 ARG 62 2HG ARG 62 -5.039 -2.630 -7.923 442 HD2 ARG 62 1HD ARG 62 -6.448 -2.123 -5.308 443 HD3 ARG 62 2HD ARG 62 -6.536 -1.047 -6.702 444 HE ARG 62 HE ARG 62 -7.309 -3.373 -7.768 445 HH11 ARG 62 2HH1 ARG 62 -8.265 -1.750 -4.840 446 HH12 ARG 62 1HH1 ARG 62 -9.872 -2.396 -4.852 447 HH21 ARG 62 2HH2 ARG 62 -9.423 -4.229 -7.796 448 HH22 ARG 62 1HH2 ARG 62 -10.530 -3.807 -6.534 449 H ILE 63 H ILE 63 -4.110 -1.629 -3.631 450 HA ILE 63 HA ILE 63 -6.460 -2.362 -2.018 451 HB ILE 63 HB ILE 63 -5.741 -0.596 -0.450 452 HG12 ILE 63 1HG1 ILE 63 -3.154 -0.472 -1.990 453 HG13 ILE 63 2HG1 ILE 63 -4.466 0.663 -2.290 454 HG21 ILE 63 1HG2 ILE 63 -4.676 -2.213 0.632 455 HG22 ILE 63 2HG2 ILE 63 -4.574 -3.119 -0.876 456 HG23 ILE 63 3HG2 ILE 63 -3.267 -2.029 -0.413 457 HD11 ILE 63 1HD1 ILE 63 -2.587 0.492 -0.040 458 HD12 ILE 63 2HD1 ILE 63 -3.378 1.892 -0.764 459 HD13 ILE 63 3HD1 ILE 63 -4.255 0.878 0.381 460 H TYR 64 H TYR 64 -5.099 0.069 -4.142 461 HA TYR 64 HA TYR 64 -7.764 1.272 -4.379 462 HB2 TYR 64 1HB TYR 64 -6.674 2.817 -2.944 463 HB3 TYR 64 2HB TYR 64 -5.176 2.733 -3.865 464 HD1 TYR 64 2HD TYR 64 -5.109 3.751 -6.169 465 HD2 TYR 64 1HD TYR 64 -8.354 4.384 -3.491 466 HE1 TYR 64 2HE TYR 64 -5.800 5.715 -7.479 467 HE2 TYR 64 1HE TYR 64 -9.054 6.349 -4.794 468 HH TYR 64 HH TYR 64 -8.814 7.332 -6.916 469 H CYS 65 H CYS 65 -8.358 1.762 -6.421 470 HA CYS 65 HA CYS 65 -6.304 1.605 -8.524 471 HB2 CYS 65 1HB CYS 65 -8.027 0.498 -9.967 472 HB3 CYS 65 2HB CYS 65 -7.498 -0.479 -8.603 473 HG CYS 65 HG CYS 65 -10.531 0.400 -9.438 474 H GLY 66 H GLY 66 -6.213 3.868 -8.648 475 HA2 GLY 66 1HA GLY 66 -8.400 5.027 -10.195 476 HA3 GLY 66 2HA GLY 66 -8.016 5.812 -8.670 477 H LEU 67 H LEU 67 -7.853 7.254 -10.967 478 HA LEU 67 HA LEU 67 -5.123 7.250 -11.928 479 HB2 LEU 67 1HB LEU 67 -5.806 8.951 -13.436 480 HB3 LEU 67 2HB LEU 67 -7.085 7.739 -13.386 481 HG LEU 67 HG LEU 67 -7.348 10.128 -11.632 482 HD11 LEU 67 1HD1 LEU 67 -7.633 10.139 -14.622 483 HD12 LEU 67 2HD1 LEU 67 -6.736 11.261 -13.599 484 HD13 LEU 67 3HD1 LEU 67 -8.500 11.270 -13.582 485 HD21 LEU 67 1HD2 LEU 67 -9.643 9.342 -13.172 486 HD22 LEU 67 2HD2 LEU 67 -9.416 9.348 -11.423 487 HD23 LEU 67 3HD2 LEU 67 -8.931 7.941 -12.371 488 H LYS 68 H LYS 68 -7.142 9.124 -9.756 489 HA LYS 68 HA LYS 68 -5.737 11.431 -9.395 490 HB2 LYS 68 1HB LYS 68 -7.847 10.641 -8.194 491 HB3 LYS 68 2HB LYS 68 -6.775 9.831 -7.059 492 HG2 LYS 68 1HG LYS 68 -7.242 11.842 -6.013 493 HG3 LYS 68 2HG LYS 68 -5.678 12.141 -6.775 494 HD2 LYS 68 1HD LYS 68 -8.132 12.781 -8.326 495 HD3 LYS 68 2HD LYS 68 -7.695 13.850 -6.991 496 HE2 LYS 68 1HE LYS 68 -5.310 13.675 -8.147 497 HE3 LYS 68 2HE LYS 68 -6.302 13.341 -9.565 498 HZ1 LYS 68 1HZ LYS 68 -5.698 15.811 -8.515 499 HZ2 LYS 68 2HZ LYS 68 -7.320 15.556 -8.106 500 HZ3 LYS 68 3HZ LYS 68 -6.833 15.474 -9.724 501 H THR 69 H THR 69 -4.021 12.124 -8.096 502 HA THR 69 HA THR 69 -1.988 10.084 -7.642 503 HB THR 69 HB THR 69 -0.464 12.019 -7.259 504 HG1 THR 69 1HG THR 69 -2.403 13.758 -8.286 505 HG21 THR 69 1HG2 THR 69 -1.125 10.967 -9.566 506 HG22 THR 69 2HG2 THR 69 -0.150 12.436 -9.508 507 HG23 THR 69 3HG2 THR 69 -1.879 12.537 -9.839 508 H SER 70 H SER 70 -4.155 10.022 -5.843 509 HA SER 70 HA SER 70 -2.721 10.250 -3.356 510 HB2 SER 70 1HB SER 70 -4.297 11.718 -2.233 511 HB3 SER 70 2HB SER 70 -3.650 12.542 -3.651 512 HG SER 70 HG SER 70 -6.000 11.067 -3.953 513 H CYS 71 H CYS 71 -3.220 8.533 -2.173 514 HA CYS 71 HA CYS 71 -5.864 7.288 -2.554 515 HB2 CYS 71 1HB CYS 71 -4.489 5.685 -3.487 516 HB3 CYS 71 2HB CYS 71 -3.133 6.086 -2.441 517 HG CYS 71 HG CYS 71 -4.294 4.855 -0.173 518 H THR 72 H THR 72 -6.626 6.011 -0.699 519 HA THR 72 HA THR 72 -5.594 7.033 1.865 520 HB THR 72 HB THR 72 -8.511 6.609 1.188 521 HG1 THR 72 1HG THR 72 -7.391 8.514 0.258 522 HG21 THR 72 1HG2 THR 72 -8.656 7.994 3.404 523 HG22 THR 72 2HG2 THR 72 -7.042 7.342 3.686 524 HG23 THR 72 3HG2 THR 72 -8.409 6.250 3.468 525 H VAL 73 H VAL 73 -5.597 5.622 3.593 526 HA VAL 73 HA VAL 73 -6.462 2.861 3.039 527 HB VAL 73 HB VAL 73 -3.937 3.649 4.501 528 HG11 VAL 73 1HG1 VAL 73 -5.473 1.344 4.731 529 HG12 VAL 73 2HG1 VAL 73 -4.150 0.894 3.653 530 HG13 VAL 73 3HG1 VAL 73 -3.802 1.558 5.250 531 HG21 VAL 73 1HG2 VAL 73 -3.987 3.958 1.973 532 HG22 VAL 73 2HG2 VAL 73 -2.700 2.945 2.628 533 HG23 VAL 73 3HG2 VAL 73 -4.109 2.201 1.873 534 H THR 74 H THR 74 -7.428 1.772 4.695 535 HA THR 74 HA THR 74 -7.907 3.317 7.157 536 HB THR 74 HB THR 74 -9.969 1.955 7.417 537 HG1 THR 74 1HG THR 74 -9.180 0.977 4.861 538 HG21 THR 74 1HG2 THR 74 -9.786 4.201 6.137 539 HG22 THR 74 2HG2 THR 74 -11.262 3.248 5.974 540 HG23 THR 74 3HG2 THR 74 -10.046 3.215 4.698 541 H ALA 75 H ALA 75 -8.459 1.874 9.079 542 HA ALA 75 HA ALA 75 -6.238 0.315 9.745 543 HB1 ALA 75 1HB ALA 75 -8.705 -0.301 11.214 544 HB2 ALA 75 2HB ALA 75 -7.136 0.247 11.804 545 HB3 ALA 75 3HB ALA 75 -8.284 1.410 11.142 546 H GLY 76 H GLY 76 -9.548 -0.718 8.906 547 HA2 GLY 76 1HA GLY 76 -9.457 -3.396 9.165 548 HA3 GLY 76 2HA GLY 76 -10.218 -2.629 7.778 549 H GLN 77 H GLN 77 -7.904 -1.591 6.547 550 HA GLN 77 HA GLN 77 -6.905 -4.024 5.334 551 HB2 GLN 77 1HB GLN 77 -6.645 -1.101 4.668 552 HB3 GLN 77 2HB GLN 77 -5.703 -2.325 3.828 553 HG2 GLN 77 1HG GLN 77 -8.017 -3.443 3.431 554 HG3 GLN 77 2HG GLN 77 -8.641 -1.830 3.773 555 HE21 GLN 77 1HE2 GLN 77 -7.403 -0.061 2.549 556 HE22 GLN 77 2HE2 GLN 77 -7.124 -0.372 0.872 557 H LEU 78 H LEU 78 -5.530 -1.166 6.942 558 HA LEU 78 HA LEU 78 -2.870 -1.623 6.825 559 HB2 LEU 78 1HB LEU 78 -4.607 -0.611 9.030 560 HB3 LEU 78 2HB LEU 78 -2.884 -0.836 9.322 561 HG LEU 78 HG LEU 78 -4.004 0.900 7.126 562 HD11 LEU 78 1HD1 LEU 78 -3.286 1.516 9.967 563 HD12 LEU 78 2HD1 LEU 78 -4.708 2.003 9.046 564 HD13 LEU 78 3HD1 LEU 78 -3.142 2.740 8.705 565 HD21 LEU 78 1HD2 LEU 78 -1.289 1.207 8.287 566 HD22 LEU 78 2HD2 LEU 78 -1.861 1.504 6.645 567 HD23 LEU 78 3HD2 LEU 78 -1.571 -0.148 7.193 568 H ALA 79 H ALA 79 -5.023 -3.078 9.264 569 HA ALA 79 HA ALA 79 -3.261 -4.587 10.694 570 HB1 ALA 79 1HB ALA 79 -5.787 -4.395 10.962 571 HB2 ALA 79 2HB ALA 79 -5.895 -5.727 9.810 572 HB3 ALA 79 3HB ALA 79 -5.055 -5.953 11.344 573 H ASN 80 H ASN 80 -4.601 -5.340 7.514 574 HA ASN 80 HA ASN 80 -3.459 -7.942 7.345 575 HB2 ASN 80 1HB ASN 80 -4.694 -6.054 5.361 576 HB3 ASN 80 2HB ASN 80 -3.902 -7.530 4.815 577 HD21 ASN 80 1HD2 ASN 80 -6.794 -6.360 5.257 578 HD22 ASN 80 2HD2 ASN 80 -7.649 -7.743 5.841 579 H ALA 81 H ALA 81 -2.320 -4.732 6.663 580 HA ALA 81 HA ALA 81 -0.209 -5.325 4.914 581 HB1 ALA 81 1HB ALA 81 -0.245 -3.121 6.968 582 HB2 ALA 81 2HB ALA 81 0.669 -3.169 5.460 583 HB3 ALA 81 3HB ALA 81 -1.090 -3.047 5.422 584 H HIS 82 H HIS 82 1.798 -6.111 5.196 585 HA HIS 82 HA HIS 82 2.454 -7.404 7.654 586 HB2 HIS 82 1HB HIS 82 3.172 -8.461 5.639 587 HB3 HIS 82 2HB HIS 82 3.979 -6.998 5.081 588 HD1 HIS 82 1HD HIS 82 4.287 -9.240 8.153 589 HD2 HIS 82 2HD HIS 82 6.643 -7.222 5.388 590 HE1 HIS 82 1HE HIS 82 6.664 -9.755 8.792 591 HE2 HIS 82 2HE HIS 82 8.072 -8.455 7.158 592 H ILE 83 H ILE 83 2.949 -6.168 9.363 593 HA ILE 83 HA ILE 83 4.369 -3.687 9.120 594 HB ILE 83 HB ILE 83 3.649 -5.282 11.582 595 HG12 ILE 83 1HG1 ILE 83 1.699 -4.505 10.299 596 HG13 ILE 83 2HG1 ILE 83 1.834 -3.653 11.834 597 HG21 ILE 83 1HG2 ILE 83 4.160 -3.314 12.860 598 HG22 ILE 83 2HG2 ILE 83 5.569 -3.740 11.890 599 HG23 ILE 83 3HG2 ILE 83 4.527 -2.406 11.394 600 HD11 ILE 83 1HD1 ILE 83 2.702 -2.582 9.159 601 HD12 ILE 83 2HD1 ILE 83 1.215 -2.160 10.010 602 HD13 ILE 83 3HD1 ILE 83 2.780 -1.728 10.700 603 H ASP 84 H ASP 84 6.446 -3.805 8.506 604 HA ASP 84 HA ASP 84 8.191 -5.935 9.271 605 HB2 ASP 84 1HB ASP 84 9.950 -4.266 8.306 606 HB3 ASP 84 2HB ASP 84 8.779 -5.012 7.222 607 H TYR 85 H TYR 85 8.386 -6.045 11.477 608 HA TYR 85 HA TYR 85 9.018 -3.705 13.040 609 HB2 TYR 85 1HB TYR 85 8.527 -6.593 13.619 610 HB3 TYR 85 2HB TYR 85 9.394 -5.635 14.814 611 HD1 TYR 85 1HD TYR 85 8.190 -3.206 15.178 612 HD2 TYR 85 2HD TYR 85 6.270 -6.812 13.990 613 HE1 TYR 85 1HE TYR 85 6.055 -2.347 16.045 614 HE2 TYR 85 2HE TYR 85 4.129 -5.963 14.852 615 HH TYR 85 HH TYR 85 3.356 -3.063 15.324 616 H THR 86 H THR 86 10.828 -5.153 10.906 617 HA THR 86 HA THR 86 13.134 -6.115 12.078 618 HB THR 86 HB THR 86 14.340 -5.327 10.052 619 HG1 THR 86 1HG THR 86 13.365 -3.996 8.630 620 HG21 THR 86 1HG2 THR 86 13.441 -6.963 8.758 621 HG22 THR 86 2HG2 THR 86 11.794 -6.365 8.958 622 HG23 THR 86 3HG2 THR 86 12.548 -7.318 10.236 623 H SER 87 H SER 87 13.528 -4.942 13.998 624 HA SER 87 HA SER 87 14.323 -3.243 15.311 625 HB2 SER 87 1HB SER 87 16.150 -3.259 12.918 626 HB3 SER 87 2HB SER 87 16.432 -2.170 14.276 627 HG SER 87 HG SER 87 17.107 -3.797 15.428 628 H ARG 88 H ARG 88 12.181 -2.538 13.356 629 HA ARG 88 HA ARG 88 11.996 0.200 13.902 630 HB2 ARG 88 1HB ARG 88 13.833 0.287 12.195 631 HB3 ARG 88 2HB ARG 88 12.699 -0.364 11.019 632 HG2 ARG 88 1HG ARG 88 11.235 1.617 11.467 633 HG3 ARG 88 2HG ARG 88 12.551 2.284 12.435 634 HD2 ARG 88 1HD ARG 88 12.817 1.470 9.546 635 HD3 ARG 88 2HD ARG 88 12.469 3.114 10.081 636 HE ARG 88 HE ARG 88 14.844 1.921 11.222 637 HH11 ARG 88 2HH1 ARG 88 13.501 3.871 8.670 638 HH12 ARG 88 1HH1 ARG 88 15.005 4.645 8.292 639 HH21 ARG 88 2HH2 ARG 88 16.830 2.933 10.734 640 HH22 ARG 88 1HH2 ARG 88 16.898 4.109 9.466 641 HA PRO 89 HA PRO 89 7.971 -1.573 12.904 642 HB2 PRO 89 1HB PRO 89 6.567 0.257 14.336 643 HB3 PRO 89 2HB PRO 89 7.363 -1.136 15.077 644 HG2 PRO 89 1HG PRO 89 8.292 1.704 14.903 645 HG3 PRO 89 2HG PRO 89 8.361 0.586 16.278 646 HD2 PRO 89 1HD PRO 89 10.506 1.096 14.705 647 HD3 PRO 89 2HD PRO 89 10.241 -0.480 15.478 648 H ALA 90 H ALA 90 8.103 -0.975 10.684 649 HA ALA 90 HA ALA 90 6.712 1.547 10.093 650 HB1 ALA 90 1HB ALA 90 9.160 1.764 9.656 651 HB2 ALA 90 2HB ALA 90 9.001 0.495 8.442 652 HB3 ALA 90 3HB ALA 90 8.142 2.022 8.239 653 H ILE 91 H ILE 91 5.957 1.527 7.715 654 HA ILE 91 HA ILE 91 4.870 -1.149 7.126 655 HB ILE 91 HB ILE 91 3.640 1.558 6.602 656 HG12 ILE 91 1HG1 ILE 91 2.727 -0.734 8.354 657 HG13 ILE 91 2HG1 ILE 91 3.495 0.738 8.937 658 HG21 ILE 91 1HG2 ILE 91 1.692 0.235 5.773 659 HG22 ILE 91 2HG2 ILE 91 3.120 0.152 4.742 660 HG23 ILE 91 3HG2 ILE 91 2.720 -1.197 5.806 661 HD11 ILE 91 1HD1 ILE 91 0.734 0.250 8.119 662 HD12 ILE 91 2HD1 ILE 91 1.400 1.446 9.231 663 HD13 ILE 91 3HD1 ILE 91 1.429 1.745 7.493 664 H VAL 92 H VAL 92 4.916 -1.909 5.044 665 HA VAL 92 HA VAL 92 6.633 -0.414 3.190 666 HB VAL 92 HB VAL 92 5.876 -3.339 3.172 667 HG11 VAL 92 1HG1 VAL 92 7.446 -1.626 1.306 668 HG12 VAL 92 2HG1 VAL 92 7.937 -3.303 1.549 669 HG13 VAL 92 3HG1 VAL 92 6.318 -2.935 0.955 670 HG21 VAL 92 1HG2 VAL 92 8.207 -3.721 3.827 671 HG22 VAL 92 2HG2 VAL 92 8.461 -1.978 3.930 672 HG23 VAL 92 3HG2 VAL 92 7.339 -2.773 5.035 673 H PHE 93 H PHE 93 5.733 0.578 1.519 674 HA PHE 93 HA PHE 93 3.092 -0.337 0.594 675 HB2 PHE 93 1HB PHE 93 4.347 2.394 0.700 676 HB3 PHE 93 2HB PHE 93 3.005 2.055 -0.387 677 HD1 PHE 93 2HD PHE 93 0.788 1.577 0.484 678 HD2 PHE 93 1HD PHE 93 4.032 2.496 3.081 679 HE1 PHE 93 2HE PHE 93 -0.800 1.976 2.320 680 HE2 PHE 93 1HE PHE 93 2.449 2.895 4.922 681 HZ PHE 93 HZ PHE 93 0.030 2.637 4.543 682 H ARG 94 H ARG 94 2.661 0.158 -1.754 683 HA ARG 94 HA ARG 94 5.055 0.014 -3.428 684 HB2 ARG 94 1HB ARG 94 2.976 -2.099 -3.133 685 HB3 ARG 94 2HB ARG 94 3.616 -1.798 -4.743 686 HG2 ARG 94 1HG ARG 94 5.463 -2.242 -2.434 687 HG3 ARG 94 2HG ARG 94 4.713 -3.604 -3.269 688 HD2 ARG 94 1HD ARG 94 5.618 -2.693 -5.409 689 HD3 ARG 94 2HD ARG 94 6.488 -1.483 -4.466 690 HE ARG 94 HE ARG 94 7.004 -4.199 -3.660 691 HH11 ARG 94 2HH1 ARG 94 7.929 -1.603 -5.787 692 HH12 ARG 94 1HH1 ARG 94 9.539 -2.197 -6.024 693 HH21 ARG 94 2HH2 ARG 94 9.121 -4.991 -3.964 694 HH22 ARG 94 1HH2 ARG 94 10.216 -4.124 -4.987 695 H ILE 95 H ILE 95 4.864 1.068 -5.332 696 HA ILE 95 HA ILE 95 2.206 1.791 -6.311 697 HB ILE 95 HB ILE 95 4.374 3.844 -5.854 698 HG12 ILE 95 1HG1 ILE 95 1.670 3.811 -4.539 699 HG13 ILE 95 2HG1 ILE 95 3.024 2.934 -3.837 700 HG21 ILE 95 1HG2 ILE 95 2.563 3.898 -7.828 701 HG22 ILE 95 2HG2 ILE 95 1.611 4.629 -6.537 702 HG23 ILE 95 3HG2 ILE 95 3.149 5.349 -7.014 703 HD11 ILE 95 1HD1 ILE 95 2.784 5.891 -4.295 704 HD12 ILE 95 2HD1 ILE 95 2.915 5.032 -2.760 705 HD13 ILE 95 3HD1 ILE 95 4.295 5.096 -3.856 706 H SER 96 H SER 96 2.061 1.774 -8.478 707 HA SER 96 HA SER 96 4.435 2.091 -10.124 708 HB2 SER 96 1HB SER 96 2.755 -0.407 -10.394 709 HB3 SER 96 2HB SER 96 4.247 -0.019 -11.251 710 HG SER 96 HG SER 96 4.727 -1.412 -9.568 711 H ALA 97 H ALA 97 3.899 2.179 -12.448 712 HA ALA 97 HA ALA 97 1.238 3.366 -12.822 713 HB1 ALA 97 1HB ALA 97 2.934 4.921 -13.365 714 HB2 ALA 97 2HB ALA 97 3.828 3.728 -14.309 715 HB3 ALA 97 3HB ALA 97 2.285 4.345 -14.901 716 H LYS 98 H LYS 98 0.071 2.938 -14.785 717 HA LYS 98 HA LYS 98 0.696 0.299 -15.942 718 HB2 LYS 98 1HB LYS 98 -1.313 0.278 -14.507 719 HB3 LYS 98 2HB LYS 98 -2.028 1.538 -15.503 720 HG2 LYS 98 1HG LYS 98 -1.796 -0.072 -17.450 721 HG3 LYS 98 2HG LYS 98 -1.446 -1.312 -16.243 722 HD2 LYS 98 1HD LYS 98 -3.582 -1.307 -15.421 723 HD3 LYS 98 2HD LYS 98 -3.860 0.381 -15.852 724 HE2 LYS 98 1HE LYS 98 -5.196 -0.721 -17.375 725 HE3 LYS 98 2HE LYS 98 -3.708 -0.501 -18.296 726 HZ1 LYS 98 1HZ LYS 98 -3.067 -2.765 -17.706 727 HZ2 LYS 98 2HZ LYS 98 -4.540 -2.743 -18.536 728 HZ3 LYS 98 3HZ LYS 98 -4.518 -2.973 -16.860 729 H ASN 99 H ASN 99 1.013 0.232 -18.069 730 HA ASN 99 HA ASN 99 0.041 2.490 -19.695 731 HB2 ASN 99 1HB ASN 99 2.683 1.071 -19.696 732 HB3 ASN 99 2HB ASN 99 2.085 1.800 -21.184 733 HD21 ASN 99 1HD2 ASN 99 3.994 3.136 -21.003 734 HD22 ASN 99 2HD2 ASN 99 3.950 4.544 -20.003 735 H GLU 100 H GLU 100 -0.045 1.893 -22.088 736 HA GLU 100 HA GLU 100 -1.985 0.147 -22.678 737 HB2 GLU 100 1HB GLU 100 0.459 0.790 -24.323 738 HB3 GLU 100 2HB GLU 100 -0.886 -0.149 -24.954 739 HG2 GLU 100 1HG GLU 100 -1.179 2.619 -23.821 740 HG3 GLU 100 2HG GLU 100 -0.914 2.281 -25.531 741 H LYS 101 H LYS 101 1.425 -0.702 -22.326 742 HA LYS 101 HA LYS 101 1.085 -3.442 -23.040 743 HB2 LYS 101 1HB LYS 101 3.295 -1.994 -21.576 744 HB3 LYS 101 2HB LYS 101 3.370 -3.697 -22.010 745 HG2 LYS 101 1HG LYS 101 2.975 -1.491 -24.016 746 HG3 LYS 101 2HG LYS 101 4.555 -2.140 -23.569 747 HD2 LYS 101 1HD LYS 101 2.415 -4.036 -24.410 748 HD3 LYS 101 2HD LYS 101 3.231 -3.076 -25.647 749 HE2 LYS 101 1HE LYS 101 5.383 -3.914 -24.353 750 HE3 LYS 101 2HE LYS 101 4.297 -5.221 -23.885 751 HZ1 LYS 101 1HZ LYS 101 3.952 -4.836 -26.608 752 HZ2 LYS 101 2HZ LYS 101 4.700 -6.145 -25.841 753 HZ3 LYS 101 3HZ LYS 101 5.624 -4.820 -26.344 754 H GLY 102 H GLY 102 1.890 -1.964 -19.886 755 HA2 GLY 102 1HA GLY 102 -0.073 -3.201 -18.375 756 HA3 GLY 102 2HA GLY 102 1.274 -4.328 -18.428 757 H TYR 103 H TYR 103 2.638 -4.179 -16.788 758 HA TYR 103 HA TYR 103 3.036 -1.547 -15.528 759 HB2 TYR 103 1HB TYR 103 2.641 -4.232 -14.217 760 HB3 TYR 103 2HB TYR 103 3.378 -2.876 -13.372 761 HD1 TYR 103 2HD TYR 103 2.040 -0.805 -12.973 762 HD2 TYR 103 1HD TYR 103 0.290 -4.358 -14.527 763 HE1 TYR 103 2HE TYR 103 -0.191 0.037 -12.370 764 HE2 TYR 103 1HE TYR 103 -1.946 -3.526 -13.929 765 HH TYR 103 HH TYR 103 -3.105 -1.912 -12.932 766 H GLY 104 H GLY 104 5.099 -0.949 -15.136 767 HA2 GLY 104 1HA GLY 104 7.193 -2.842 -15.975 768 HA3 GLY 104 2HA GLY 104 7.341 -1.091 -15.987 769 HA PRO 105 HA PRO 105 9.704 -1.872 -12.289 770 HB2 PRO 105 1HB PRO 105 10.438 0.712 -11.895 771 HB3 PRO 105 2HB PRO 105 11.204 -0.331 -13.099 772 HG2 PRO 105 1HG PRO 105 9.075 1.741 -13.467 773 HG3 PRO 105 2HG PRO 105 10.507 1.419 -14.463 774 HD2 PRO 105 1HD PRO 105 8.034 0.550 -15.143 775 HD3 PRO 105 2HD PRO 105 9.508 -0.352 -15.548 776 H ALA 106 H ALA 106 9.113 -1.913 -10.201 777 HA ALA 106 HA ALA 106 6.778 -0.324 -9.405 778 HB1 ALA 106 1HB ALA 106 6.277 -2.542 -8.984 779 HB2 ALA 106 2HB ALA 106 7.919 -2.921 -8.462 780 HB3 ALA 106 3HB ALA 106 6.855 -1.983 -7.413 781 H THR 107 H THR 107 6.768 0.931 -7.553 782 HA THR 107 HA THR 107 9.431 1.563 -6.467 783 HB THR 107 HB THR 107 6.971 3.322 -6.533 784 HG1 THR 107 1HG THR 107 8.467 4.510 -8.028 785 HG21 THR 107 1HG2 THR 107 8.743 3.582 -4.658 786 HG22 THR 107 2HG2 THR 107 8.234 5.014 -5.553 787 HG23 THR 107 3HG2 THR 107 9.765 4.229 -5.940 788 H GLN 108 H GLN 108 9.810 1.393 -4.332 789 HA GLN 108 HA GLN 108 7.531 0.682 -2.605 790 HB2 GLN 108 1HB GLN 108 9.408 -1.051 -3.141 791 HB3 GLN 108 2HB GLN 108 10.353 -0.120 -1.986 792 HG2 GLN 108 1HG GLN 108 8.889 -0.626 -0.220 793 HG3 GLN 108 2HG GLN 108 7.642 -1.215 -1.318 794 HE21 GLN 108 1HE2 GLN 108 10.010 -2.122 0.783 795 HE22 GLN 108 2HE2 GLN 108 10.273 -3.740 0.238 796 H ILE 109 H ILE 109 7.645 1.356 -0.384 797 HA ILE 109 HA ILE 109 9.619 3.332 0.367 798 HB ILE 109 HB ILE 109 7.958 4.652 -0.922 799 HG12 ILE 109 1HG1 ILE 109 7.846 5.298 2.027 800 HG13 ILE 109 2HG1 ILE 109 9.276 5.559 1.035 801 HG21 ILE 109 1HG2 ILE 109 6.116 3.286 0.934 802 HG22 ILE 109 2HG2 ILE 109 5.782 4.987 0.614 803 HG23 ILE 109 3HG2 ILE 109 5.860 3.838 -0.721 804 HD11 ILE 109 1HD1 ILE 109 6.668 6.988 1.015 805 HD12 ILE 109 2HD1 ILE 109 8.310 7.632 0.999 806 HD13 ILE 109 3HD1 ILE 109 7.628 6.917 -0.462 807 H ARG 110 H ARG 110 9.642 3.784 2.592 808 HA ARG 110 HA ARG 110 7.992 1.954 4.205 809 HB2 ARG 110 1HB ARG 110 10.800 2.975 4.599 810 HB3 ARG 110 2HB ARG 110 9.881 2.238 5.904 811 HG2 ARG 110 1HG ARG 110 9.864 0.148 4.877 812 HG3 ARG 110 2HG ARG 110 10.276 0.820 3.298 813 HD2 ARG 110 1HD ARG 110 12.123 0.899 5.675 814 HD3 ARG 110 2HD ARG 110 12.136 -0.395 4.479 815 HE ARG 110 HE ARG 110 13.124 2.300 4.145 816 HH11 ARG 110 2HH1 ARG 110 12.095 -0.634 2.579 817 HH12 ARG 110 1HH1 ARG 110 12.952 -0.305 1.110 818 HH21 ARG 110 2HH2 ARG 110 14.258 2.744 2.216 819 HH22 ARG 110 1HH2 ARG 110 14.183 1.616 0.905 820 H TRP 111 H TRP 111 6.707 2.773 5.740 821 HA TRP 111 HA TRP 111 7.067 5.599 6.489 822 HB2 TRP 111 1HB TRP 111 5.159 5.318 4.931 823 HB3 TRP 111 2HB TRP 111 4.424 4.187 6.064 824 HD1 TRP 111 HD TRP 111 5.597 7.893 6.068 825 HE1 TRP 111 1HE TRP 111 3.965 9.232 7.541 826 HE3 TRP 111 3HE TRP 111 2.608 4.062 7.660 827 HZ2 TRP 111 2HZ TRP 111 1.710 8.731 9.164 828 HZ3 TRP 111 3HZ TRP 111 0.736 4.577 9.172 829 HH2 TRP 111 HH TRP 111 0.299 6.863 9.907 830 H LEU 112 H LEU 112 7.915 5.378 8.490 831 HA LEU 112 HA LEU 112 7.460 3.380 10.338 832 HB2 LEU 112 1HB LEU 112 8.280 6.241 10.574 833 HB3 LEU 112 2HB LEU 112 7.973 5.303 12.033 834 HG LEU 112 HG LEU 112 9.863 4.219 9.997 835 HD11 LEU 112 1HD1 LEU 112 11.654 5.450 11.404 836 HD12 LEU 112 2HD1 LEU 112 10.345 6.570 11.780 837 HD13 LEU 112 3HD1 LEU 112 10.833 6.315 10.105 838 HD21 LEU 112 1HD2 LEU 112 9.445 4.020 12.957 839 HD22 LEU 112 2HD2 LEU 112 10.980 3.558 12.222 840 HD23 LEU 112 3HD2 LEU 112 9.493 2.735 11.750 841 H GLN 113 H GLN 113 5.818 2.820 11.615 842 HA GLN 113 HA GLN 113 3.299 4.077 11.421 843 HB2 GLN 113 1HB GLN 113 4.409 1.953 13.240 844 HB3 GLN 113 2HB GLN 113 2.765 2.551 13.423 845 HG2 GLN 113 1HG GLN 113 2.397 1.941 11.009 846 HG3 GLN 113 2HG GLN 113 3.955 1.117 11.068 847 HE21 GLN 113 1HE2 GLN 113 0.696 0.739 11.413 848 HE22 GLN 113 2HE2 GLN 113 0.676 -0.729 12.323 849 H GLY 114 H GLY 114 2.099 5.234 12.966 850 HA2 GLY 114 1HA GLY 114 3.659 6.368 15.196 851 HA3 GLY 114 2HA GLY 114 2.780 7.424 14.100 852 H ASN 115 H ASN 115 2.559 6.785 17.056 853 HA ASN 115 HA ASN 115 0.161 5.404 17.539 854 HB2 ASN 115 1HB ASN 115 1.481 5.726 19.437 855 HB3 ASN 115 2HB ASN 115 1.747 7.431 19.083 856 HD21 ASN 115 1HD2 ASN 115 1.104 8.107 21.103 857 HD22 ASN 115 2HD2 ASN 115 -0.543 8.056 21.624 858 H SER 116 H SER 116 -1.856 5.912 17.033 859 HA SER 116 HA SER 116 -2.855 8.595 17.287 860 HB2 SER 116 1HB SER 116 -1.808 8.673 15.040 861 HB3 SER 116 2HB SER 116 -2.828 7.325 14.537 862 HG SER 116 HG SER 116 -3.843 9.191 13.903 863 H LYS 117 H LYS 117 -5.050 8.652 17.543 864 HA LYS 117 HA LYS 117 -6.803 6.582 16.701 865 HB2 LYS 117 1HB LYS 117 -7.375 5.608 18.836 866 HB3 LYS 117 2HB LYS 117 -5.649 5.411 18.563 867 HG2 LYS 117 1HG LYS 117 -5.600 6.099 20.722 868 HG3 LYS 117 2HG LYS 117 -5.547 7.676 19.929 869 HD2 LYS 117 1HD LYS 117 -7.199 7.941 21.550 870 HD3 LYS 117 2HD LYS 117 -8.120 7.595 20.084 871 HE2 LYS 117 1HE LYS 117 -7.906 5.117 20.900 872 HE3 LYS 117 2HE LYS 117 -7.618 5.870 22.468 873 HZ1 LYS 117 1HZ LYS 117 -10.045 5.918 20.807 874 HZ2 LYS 117 2HZ LYS 117 -9.749 7.189 21.883 875 HZ3 LYS 117 3HZ LYS 117 -9.886 5.605 22.462 876 H SER 118 H SER 118 -8.855 7.314 16.667 877 HA SER 118 HA SER 118 -9.974 9.113 18.527 878 HB2 SER 118 1HB SER 118 -8.436 10.710 17.418 879 HB3 SER 118 2HB SER 118 -9.213 10.361 15.874 880 HG SER 118 HG SER 118 -10.076 12.236 16.850 881 H GLY 119 H GLY 119 -12.121 8.888 18.435 882 HA2 GLY 119 1HA GLY 119 -13.259 7.732 15.969 883 HA3 GLY 119 2HA GLY 119 -13.890 7.455 17.586 884 HA PRO 120 HA PRO 120 -15.390 11.628 15.560 885 HB2 PRO 120 1HB PRO 120 -16.718 10.964 13.287 886 HB3 PRO 120 2HB PRO 120 -15.012 11.429 13.302 887 HG2 PRO 120 1HG PRO 120 -16.230 8.696 13.206 888 HG3 PRO 120 2HG PRO 120 -14.854 9.340 12.292 889 HD2 PRO 120 1HD PRO 120 -14.544 7.767 14.473 890 HD3 PRO 120 2HD PRO 120 -13.388 9.045 14.045 891 H SER 121 H SER 121 -17.634 12.340 15.454 892 HA SER 121 HA SER 121 -19.427 10.401 16.742 893 HB2 SER 121 1HB SER 121 -18.969 12.430 18.044 894 HB3 SER 121 2HB SER 121 -19.543 13.428 16.708 895 HG SER 121 HG SER 121 -21.503 13.102 17.369 896 H SER 122 H SER 122 -21.075 9.608 15.629 897 HA SER 122 HA SER 122 -22.415 11.234 13.621 898 HB2 SER 122 1HB SER 122 -22.297 9.374 11.943 899 HB3 SER 122 2HB SER 122 -20.743 10.141 12.267 900 HG SER 122 HG SER 122 -21.687 7.619 13.102 901 H GLY 123 H GLY 123 -24.469 10.315 12.927 902 HA2 GLY 123 1HA GLY 123 -25.907 8.229 13.362 903 HA3 GLY 123 2HA GLY 123 -25.619 8.627 15.050 Start of MODEL 14 1 H1 GLY 1 H GLY 1 17.972 -8.976 -12.927 2 HA2 GLY 1 1HA GLY 1 17.550 -8.438 -15.241 3 HA3 GLY 1 2HA GLY 1 16.584 -9.901 -15.357 4 H SER 2 H SER 2 16.358 -6.666 -15.337 5 HA SER 2 HA SER 2 14.348 -5.986 -13.554 6 HB2 SER 2 1HB SER 2 14.829 -4.941 -16.355 7 HB3 SER 2 2HB SER 2 13.777 -4.173 -15.166 8 HG SER 2 HG SER 2 15.683 -4.073 -13.793 9 H SER 3 H SER 3 12.061 -5.642 -13.902 10 HA SER 3 HA SER 3 10.876 -7.869 -15.369 11 HB2 SER 3 1HB SER 3 9.885 -6.029 -13.205 12 HB3 SER 3 2HB SER 3 8.761 -7.017 -14.137 13 HG SER 3 HG SER 3 9.826 -7.849 -12.059 14 H GLY 4 H GLY 4 10.537 -7.413 -17.461 15 HA2 GLY 4 1HA GLY 4 9.042 -6.499 -19.079 16 HA3 GLY 4 2HA GLY 4 8.872 -5.071 -18.070 17 H SER 5 H SER 5 9.919 -5.908 -20.947 18 HA SER 5 HA SER 5 12.514 -5.219 -21.354 19 HB2 SER 5 1HB SER 5 10.875 -5.857 -23.134 20 HB3 SER 5 2HB SER 5 10.233 -4.215 -23.073 21 HG SER 5 HG SER 5 11.919 -3.513 -24.136 22 H SER 6 H SER 6 9.862 -2.834 -21.515 23 HA SER 6 HA SER 6 11.674 -0.842 -20.347 24 HB2 SER 6 1HB SER 6 10.894 0.847 -21.969 25 HB3 SER 6 2HB SER 6 11.718 -0.490 -22.772 26 HG SER 6 HG SER 6 9.540 -1.372 -23.097 27 H GLY 7 H GLY 7 10.760 0.401 -18.819 28 HA2 GLY 7 1HA GLY 7 7.859 0.084 -18.403 29 HA3 GLY 7 2HA GLY 7 9.027 0.434 -17.137 30 HA PRO 8 HA PRO 8 7.051 4.335 -19.112 31 HB2 PRO 8 1HB PRO 8 5.009 4.763 -17.375 32 HB3 PRO 8 2HB PRO 8 4.825 3.825 -18.862 33 HG2 PRO 8 1HG PRO 8 5.225 2.865 -16.054 34 HG3 PRO 8 2HG PRO 8 4.123 2.252 -17.300 35 HD2 PRO 8 1HD PRO 8 6.481 1.053 -16.724 36 HD3 PRO 8 2HD PRO 8 5.782 1.050 -18.356 37 H GLY 9 H GLY 9 7.939 3.208 -15.961 38 HA2 GLY 9 1HA GLY 9 9.696 4.620 -14.899 39 HA3 GLY 9 2HA GLY 9 8.619 5.979 -15.187 40 H ALA 10 H ALA 10 9.596 5.471 -12.667 41 HA ALA 10 HA ALA 10 7.386 4.187 -11.225 42 HB1 ALA 10 1HB ALA 10 9.351 3.282 -10.412 43 HB2 ALA 10 2HB ALA 10 10.221 4.814 -10.513 44 HB3 ALA 10 3HB ALA 10 9.021 4.563 -9.245 45 HA PRO 11 HA PRO 11 5.701 7.983 -9.801 46 HB2 PRO 11 1HB PRO 11 4.835 7.280 -7.326 47 HB3 PRO 11 2HB PRO 11 4.043 6.738 -8.811 48 HG2 PRO 11 1HG PRO 11 5.995 5.287 -7.066 49 HG3 PRO 11 2HG PRO 11 4.512 4.684 -7.828 50 HD2 PRO 11 1HD PRO 11 6.973 4.205 -8.850 51 HD3 PRO 11 2HD PRO 11 5.533 4.386 -9.873 52 H SER 12 H SER 12 6.847 9.718 -9.247 53 HA SER 12 HA SER 12 8.776 9.503 -7.037 54 HB2 SER 12 1HB SER 12 9.425 10.259 -9.459 55 HB3 SER 12 2HB SER 12 8.728 11.802 -8.965 56 HG SER 12 HG SER 12 10.408 10.766 -7.087 57 H THR 13 H THR 13 9.069 11.505 -5.728 58 HA THR 13 HA THR 13 8.278 13.121 -4.331 59 HB THR 13 HB THR 13 5.985 13.533 -6.247 60 HG1 THR 13 1HG THR 13 8.357 15.031 -6.416 61 HG21 THR 13 1HG2 THR 13 6.428 14.676 -3.836 62 HG22 THR 13 2HG2 THR 13 5.602 15.484 -5.169 63 HG23 THR 13 3HG2 THR 13 7.316 15.783 -4.883 64 H VAL 14 H VAL 14 7.538 10.427 -3.900 65 HA VAL 14 HA VAL 14 4.746 10.309 -3.215 66 HB VAL 14 HB VAL 14 7.000 8.429 -2.497 67 HG11 VAL 14 1HG1 VAL 14 4.897 8.427 -1.043 68 HG12 VAL 14 2HG1 VAL 14 4.067 7.788 -2.463 69 HG13 VAL 14 3HG1 VAL 14 5.404 6.890 -1.743 70 HG21 VAL 14 1HG2 VAL 14 6.495 7.183 -4.379 71 HG22 VAL 14 2HG2 VAL 14 4.886 7.886 -4.542 72 HG23 VAL 14 3HG2 VAL 14 6.310 8.834 -4.971 73 H ARG 15 H ARG 15 3.996 11.452 -1.554 74 HA ARG 15 HA ARG 15 5.592 11.520 0.923 75 HB2 ARG 15 1HB ARG 15 3.725 13.617 -0.195 76 HB3 ARG 15 2HB ARG 15 4.429 13.679 1.415 77 HG2 ARG 15 1HG ARG 15 6.691 13.578 0.277 78 HG3 ARG 15 2HG ARG 15 5.827 13.883 -1.232 79 HD2 ARG 15 1HD ARG 15 4.816 15.902 -0.054 80 HD3 ARG 15 2HD ARG 15 6.040 15.650 1.190 81 HE ARG 15 HE ARG 15 7.536 15.738 -1.021 82 HH11 ARG 15 2HH1 ARG 15 4.962 17.799 0.096 83 HH12 ARG 15 1HH1 ARG 15 5.591 19.219 -0.671 84 HH21 ARG 15 2HH2 ARG 15 8.374 17.601 -2.035 85 HH22 ARG 15 1HH2 ARG 15 7.531 19.105 -1.884 86 H ILE 16 H ILE 16 4.651 10.819 2.750 87 HA ILE 16 HA ILE 16 1.803 10.078 2.606 88 HB ILE 16 HB ILE 16 3.950 8.845 4.335 89 HG12 ILE 16 1HG1 ILE 16 2.538 7.657 1.940 90 HG13 ILE 16 2HG1 ILE 16 4.144 8.375 1.874 91 HG21 ILE 16 1HG2 ILE 16 1.475 7.366 3.936 92 HG22 ILE 16 2HG2 ILE 16 2.358 7.717 5.420 93 HG23 ILE 16 3HG2 ILE 16 1.235 8.906 4.761 94 HD11 ILE 16 1HD1 ILE 16 4.077 5.880 2.043 95 HD12 ILE 16 2HD1 ILE 16 5.042 6.692 3.276 96 HD13 ILE 16 3HD1 ILE 16 3.438 6.078 3.675 97 H SER 17 H SER 17 0.463 11.155 3.883 98 HA SER 17 HA SER 17 1.566 12.499 6.263 99 HB2 SER 17 1HB SER 17 -0.650 13.360 4.398 100 HB3 SER 17 2HB SER 17 -0.359 14.117 5.964 101 HG SER 17 HG SER 17 1.250 14.124 3.656 102 H LYS 18 H LYS 18 0.810 11.840 8.157 103 HA LYS 18 HA LYS 18 -1.181 9.820 8.353 104 HB2 LYS 18 1HB LYS 18 0.722 10.048 9.930 105 HB3 LYS 18 2HB LYS 18 0.004 11.530 10.548 106 HG2 LYS 18 1HG LYS 18 -1.700 10.418 11.623 107 HG3 LYS 18 2HG LYS 18 -1.586 9.007 10.569 108 HD2 LYS 18 1HD LYS 18 -0.708 8.326 12.653 109 HD3 LYS 18 2HD LYS 18 0.689 8.589 11.607 110 HE2 LYS 18 1HE LYS 18 1.380 9.688 13.493 111 HE3 LYS 18 2HE LYS 18 0.586 11.008 12.636 112 HZ1 LYS 18 1HZ LYS 18 -0.634 9.357 14.782 113 HZ2 LYS 18 2HZ LYS 18 -1.403 10.616 13.957 114 HZ3 LYS 18 3HZ LYS 18 -0.076 10.945 14.953 115 H ASN 19 H ASN 19 -3.307 10.070 8.312 116 HA ASN 19 HA ASN 19 -4.439 12.711 8.903 117 HB2 ASN 19 1HB ASN 19 -4.885 11.370 6.712 118 HB3 ASN 19 2HB ASN 19 -5.997 10.438 7.710 119 HD21 ASN 19 1HD2 ASN 19 -7.529 11.315 6.106 120 HD22 ASN 19 2HD2 ASN 19 -8.242 12.856 6.423 121 H VAL 20 H VAL 20 -6.213 12.951 10.298 122 HA VAL 20 HA VAL 20 -6.141 11.562 12.688 123 HB VAL 20 HB VAL 20 -7.197 13.755 12.477 124 HG11 VAL 20 1HG1 VAL 20 -8.376 12.904 10.258 125 HG12 VAL 20 2HG1 VAL 20 -9.700 12.593 11.383 126 HG13 VAL 20 3HG1 VAL 20 -9.041 14.222 11.223 127 HG21 VAL 20 1HG2 VAL 20 -7.802 12.601 14.438 128 HG22 VAL 20 2HG2 VAL 20 -9.316 13.222 13.780 129 HG23 VAL 20 3HG2 VAL 20 -8.893 11.524 13.565 130 H ASP 21 H ASP 21 -8.149 10.995 9.844 131 HA ASP 21 HA ASP 21 -9.709 8.930 11.074 132 HB2 ASP 21 1HB ASP 21 -9.355 9.795 8.202 133 HB3 ASP 21 2HB ASP 21 -10.421 8.478 8.683 134 H GLY 22 H GLY 22 -6.730 9.078 9.263 135 HA2 GLY 22 1HA GLY 22 -5.798 6.593 10.092 136 HA3 GLY 22 2HA GLY 22 -6.584 6.340 8.541 137 H ILE 23 H ILE 23 -5.097 6.178 7.006 138 HA ILE 23 HA ILE 23 -2.810 8.037 7.081 139 HB ILE 23 HB ILE 23 -2.916 5.289 5.830 140 HG12 ILE 23 1HG1 ILE 23 -1.235 6.165 8.174 141 HG13 ILE 23 2HG1 ILE 23 -2.841 5.477 8.385 142 HG21 ILE 23 1HG2 ILE 23 -1.426 7.274 4.901 143 HG22 ILE 23 2HG2 ILE 23 -0.381 6.777 6.232 144 HG23 ILE 23 3HG2 ILE 23 -0.828 5.617 4.981 145 HD11 ILE 23 1HD1 ILE 23 -1.280 3.728 8.680 146 HD12 ILE 23 2HD1 ILE 23 -2.036 3.476 7.106 147 HD13 ILE 23 3HD1 ILE 23 -0.414 4.160 7.207 148 H HIS 24 H HIS 24 -2.345 9.227 5.297 149 HA HIS 24 HA HIS 24 -4.155 8.919 2.992 150 HB2 HIS 24 1HB HIS 24 -4.278 11.040 4.484 151 HB3 HIS 24 2HB HIS 24 -2.777 11.499 3.685 152 HD1 HIS 24 1HD HIS 24 -2.914 11.996 1.116 153 HD2 HIS 24 2HD HIS 24 -6.575 11.327 2.963 154 HE1 HIS 24 1HE HIS 24 -4.648 12.806 -0.515 155 HE2 HIS 24 2HE HIS 24 -6.851 12.469 0.659 156 H LEU 25 H LEU 25 -2.963 7.746 1.582 157 HA LEU 25 HA LEU 25 -0.154 8.300 1.171 158 HB2 LEU 25 1HB LEU 25 -1.503 6.029 1.028 159 HB3 LEU 25 2HB LEU 25 -1.705 6.532 -0.649 160 HG LEU 25 HG LEU 25 0.940 6.811 -0.463 161 HD11 LEU 25 1HD1 LEU 25 0.221 4.730 1.590 162 HD12 LEU 25 2HD1 LEU 25 1.195 6.183 1.817 163 HD13 LEU 25 3HD1 LEU 25 1.810 4.854 0.834 164 HD21 LEU 25 1HD2 LEU 25 -0.023 5.492 -2.162 165 HD22 LEU 25 2HD2 LEU 25 -0.665 4.326 -1.005 166 HD23 LEU 25 3HD2 LEU 25 1.073 4.419 -1.293 167 H SER 26 H SER 26 0.776 9.228 -0.613 168 HA SER 26 HA SER 26 -0.871 10.065 -2.851 169 HB2 SER 26 1HB SER 26 0.647 12.150 -1.273 170 HB3 SER 26 2HB SER 26 -0.428 12.416 -2.644 171 HG SER 26 HG SER 26 -1.236 11.322 -0.153 172 H TRP 27 H TRP 27 0.389 10.911 -4.634 173 HA TRP 27 HA TRP 27 3.245 10.883 -4.544 174 HB2 TRP 27 1HB TRP 27 3.582 8.980 -6.077 175 HB3 TRP 27 2HB TRP 27 2.877 8.469 -4.546 176 HD1 TRP 27 HD TRP 27 2.113 8.698 -8.266 177 HE1 TRP 27 1HE TRP 27 -0.056 7.402 -8.755 178 HE3 TRP 27 3HE TRP 27 0.626 7.765 -3.464 179 HZ2 TRP 27 2HZ TRP 27 -2.125 6.151 -7.297 180 HZ3 TRP 27 3HZ TRP 27 -1.460 6.513 -3.098 181 HH2 TRP 27 HH TRP 27 -2.806 5.724 -4.976 182 H GLU 28 H GLU 28 4.078 10.832 -6.977 183 HA GLU 28 HA GLU 28 2.199 12.390 -8.620 184 HB2 GLU 28 1HB GLU 28 5.068 13.027 -7.956 185 HB3 GLU 28 2HB GLU 28 4.265 13.705 -9.366 186 HG2 GLU 28 1HG GLU 28 2.472 14.492 -7.698 187 HG3 GLU 28 2HG GLU 28 3.697 14.178 -6.470 188 HA PRO 29 HA PRO 29 3.299 9.778 -11.970 189 HB2 PRO 29 1HB PRO 29 3.135 11.492 -14.069 190 HB3 PRO 29 2HB PRO 29 1.714 10.890 -13.208 191 HG2 PRO 29 1HG PRO 29 3.136 13.508 -12.919 192 HG3 PRO 29 2HG PRO 29 1.394 13.181 -12.967 193 HD2 PRO 29 1HD PRO 29 2.731 13.618 -10.653 194 HD3 PRO 29 2HD PRO 29 1.327 12.536 -10.755 195 HA PRO 30 HA PRO 30 7.612 10.163 -12.791 196 HB2 PRO 30 1HB PRO 30 7.801 8.589 -14.995 197 HB3 PRO 30 2HB PRO 30 7.556 7.940 -13.369 198 HG2 PRO 30 1HG PRO 30 5.551 8.420 -15.539 199 HG3 PRO 30 2HG PRO 30 5.711 7.028 -14.452 200 HD2 PRO 30 1HD PRO 30 3.891 8.992 -14.047 201 HD3 PRO 30 2HD PRO 30 4.655 8.108 -12.711 202 H THR 31 H THR 31 8.887 10.099 -15.213 203 HA THR 31 HA THR 31 9.208 12.578 -16.078 204 HB THR 31 HB THR 31 8.881 10.655 -18.327 205 HG1 THR 31 1HG THR 31 9.673 9.273 -16.748 206 HG21 THR 31 1HG2 THR 31 11.371 12.140 -17.600 207 HG22 THR 31 2HG2 THR 31 10.002 13.020 -18.279 208 HG23 THR 31 3HG2 THR 31 10.747 11.707 -19.191 209 H SER 32 H SER 32 8.232 14.132 -17.289 210 HA SER 32 HA SER 32 5.576 14.507 -17.388 211 HB2 SER 32 1HB SER 32 7.806 15.473 -19.084 212 HB3 SER 32 2HB SER 32 6.183 15.701 -19.737 213 HG SER 32 HG SER 32 7.016 16.515 -17.148 214 HA PRO 33 HA PRO 33 5.046 12.422 -21.706 215 HB2 PRO 33 1HB PRO 33 7.177 11.088 -22.729 216 HB3 PRO 33 2HB PRO 33 6.888 12.807 -23.024 217 HG2 PRO 33 1HG PRO 33 8.731 11.507 -21.056 218 HG3 PRO 33 2HG PRO 33 9.021 12.907 -22.104 219 HD2 PRO 33 1HD PRO 33 8.407 13.155 -19.478 220 HD3 PRO 33 2HD PRO 33 7.912 14.352 -20.692 221 H SER 34 H SER 34 7.533 10.564 -19.938 222 HA SER 34 HA SER 34 7.595 8.287 -19.504 223 HB2 SER 34 1HB SER 34 5.299 9.539 -18.060 224 HB3 SER 34 2HB SER 34 5.510 7.792 -17.941 225 HG SER 34 HG SER 34 6.928 9.788 -16.767 226 H GLY 35 H GLY 35 6.693 8.521 -22.074 227 HA2 GLY 35 1HA GLY 35 5.563 7.374 -23.710 228 HA3 GLY 35 2HA GLY 35 5.414 6.083 -22.526 229 H ASN 36 H ASN 36 3.402 5.474 -22.143 230 HA ASN 36 HA ASN 36 1.273 7.506 -22.271 231 HB2 ASN 36 1HB ASN 36 1.353 4.742 -23.449 232 HB3 ASN 36 2HB ASN 36 -0.185 5.488 -23.022 233 HD21 ASN 36 1HD2 ASN 36 0.487 4.753 -25.614 234 HD22 ASN 36 2HD2 ASN 36 0.629 6.180 -26.578 235 H ILE 37 H ILE 37 0.302 7.750 -20.379 236 HA ILE 37 HA ILE 37 0.476 5.613 -18.389 237 HB ILE 37 HB ILE 37 -0.484 8.455 -18.040 238 HG12 ILE 37 1HG1 ILE 37 1.928 8.236 -18.687 239 HG13 ILE 37 2HG1 ILE 37 1.676 8.946 -17.096 240 HG21 ILE 37 1HG2 ILE 37 -0.167 7.985 -15.635 241 HG22 ILE 37 2HG2 ILE 37 -1.413 6.979 -16.373 242 HG23 ILE 37 3HG2 ILE 37 0.180 6.303 -16.037 243 HD11 ILE 37 1HD1 ILE 37 3.525 7.226 -17.333 244 HD12 ILE 37 2HD1 ILE 37 2.390 7.007 -16.001 245 HD13 ILE 37 3HD1 ILE 37 2.239 6.025 -17.458 246 H LEU 38 H LEU 38 -1.143 4.204 -18.371 247 HA LEU 38 HA LEU 38 -3.754 4.875 -19.391 248 HB2 LEU 38 1HB LEU 38 -2.810 2.364 -18.017 249 HB3 LEU 38 2HB LEU 38 -4.315 2.559 -18.913 250 HG LEU 38 HG LEU 38 -1.561 2.746 -20.130 251 HD11 LEU 38 1HD1 LEU 38 -1.798 0.550 -20.901 252 HD12 LEU 38 2HD1 LEU 38 -3.507 0.488 -20.472 253 HD13 LEU 38 3HD1 LEU 38 -2.279 0.478 -19.206 254 HD21 LEU 38 1HD2 LEU 38 -2.661 2.779 -22.230 255 HD22 LEU 38 2HD2 LEU 38 -3.445 4.002 -21.230 256 HD23 LEU 38 3HD2 LEU 38 -4.228 2.443 -21.492 257 H GLU 39 H GLU 39 -2.539 3.705 -16.246 258 HA GLU 39 HA GLU 39 -4.177 5.500 -14.772 259 HB2 GLU 39 1HB GLU 39 -5.154 2.729 -15.252 260 HB3 GLU 39 2HB GLU 39 -5.364 3.400 -13.641 261 HG2 GLU 39 1HG GLU 39 -6.343 5.440 -14.980 262 HG3 GLU 39 2HG GLU 39 -6.610 4.209 -16.213 263 H TYR 40 H TYR 40 -4.072 5.020 -12.389 264 HA TYR 40 HA TYR 40 -1.512 3.703 -11.760 265 HB2 TYR 40 1HB TYR 40 -2.835 6.072 -10.425 266 HB3 TYR 40 2HB TYR 40 -1.383 5.277 -9.828 267 HD1 TYR 40 2HD TYR 40 -2.770 7.248 -12.636 268 HD2 TYR 40 1HD TYR 40 0.745 5.766 -10.751 269 HE1 TYR 40 2HE TYR 40 -1.396 8.697 -14.072 270 HE2 TYR 40 1HE TYR 40 2.129 7.212 -12.181 271 HH TYR 40 HH TYR 40 1.771 8.309 -14.584 272 H SER 41 H SER 41 -1.371 2.979 -9.429 273 HA SER 41 HA SER 41 -3.805 2.328 -8.067 274 HB2 SER 41 1HB SER 41 -3.635 -0.107 -8.256 275 HB3 SER 41 2HB SER 41 -3.837 0.619 -9.851 276 HG SER 41 HG SER 41 -2.186 -0.973 -9.820 277 H ALA 42 H ALA 42 -3.458 1.660 -5.962 278 HA ALA 42 HA ALA 42 -0.657 1.776 -5.076 279 HB1 ALA 42 1HB ALA 42 -3.203 2.299 -3.546 280 HB2 ALA 42 2HB ALA 42 -1.577 2.363 -2.864 281 HB3 ALA 42 3HB ALA 42 -2.051 3.505 -4.121 282 H TYR 43 H TYR 43 0.231 0.177 -3.845 283 HA TYR 43 HA TYR 43 -1.452 -2.190 -3.339 284 HB2 TYR 43 1HB TYR 43 1.395 -2.020 -4.317 285 HB3 TYR 43 2HB TYR 43 0.726 -3.493 -3.624 286 HD1 TYR 43 2HD TYR 43 0.358 -1.074 -6.406 287 HD2 TYR 43 1HD TYR 43 -0.638 -4.931 -4.910 288 HE1 TYR 43 2HE TYR 43 -0.561 -1.683 -8.605 289 HE2 TYR 43 1HE TYR 43 -1.558 -5.551 -7.105 290 HH TYR 43 HH TYR 43 -2.547 -4.261 -9.118 291 H LEU 44 H LEU 44 -0.629 -3.605 -1.590 292 HA LEU 44 HA LEU 44 1.058 -2.305 0.394 293 HB2 LEU 44 1HB LEU 44 -0.995 -1.445 1.119 294 HB3 LEU 44 2HB LEU 44 -1.843 -2.953 0.784 295 HG LEU 44 HG LEU 44 -0.538 -3.971 2.691 296 HD11 LEU 44 1HD1 LEU 44 0.272 -1.101 2.984 297 HD12 LEU 44 2HD1 LEU 44 1.277 -2.550 3.021 298 HD13 LEU 44 3HD1 LEU 44 0.206 -2.185 4.374 299 HD21 LEU 44 1HD2 LEU 44 -2.122 -1.731 3.812 300 HD22 LEU 44 2HD2 LEU 44 -2.214 -3.462 4.138 301 HD23 LEU 44 3HD2 LEU 44 -2.928 -2.802 2.666 302 H ALA 45 H ALA 45 2.467 -3.772 1.056 303 HA ALA 45 HA ALA 45 2.307 -6.507 0.467 304 HB1 ALA 45 1HB ALA 45 4.393 -5.196 0.940 305 HB2 ALA 45 2HB ALA 45 3.983 -5.292 2.653 306 HB3 ALA 45 3HB ALA 45 4.300 -6.766 1.738 307 H ILE 46 H ILE 46 1.108 -8.047 1.348 308 HA ILE 46 HA ILE 46 0.528 -7.948 4.220 309 HB ILE 46 HB ILE 46 -1.800 -8.582 3.870 310 HG12 ILE 46 1HG1 ILE 46 -2.661 -8.154 1.440 311 HG13 ILE 46 2HG1 ILE 46 -0.990 -8.465 0.982 312 HG21 ILE 46 1HG2 ILE 46 -1.922 -6.357 4.156 313 HG22 ILE 46 2HG2 ILE 46 -0.682 -6.031 2.946 314 HG23 ILE 46 3HG2 ILE 46 -2.344 -6.339 2.444 315 HD11 ILE 46 1HD1 ILE 46 -3.079 -10.313 1.672 316 HD12 ILE 46 2HD1 ILE 46 -1.499 -10.616 0.947 317 HD13 ILE 46 3HD1 ILE 46 -1.665 -10.545 2.701 318 H ARG 47 H ARG 47 0.446 -9.915 5.222 319 HA ARG 47 HA ARG 47 0.040 -12.387 3.951 320 HB2 ARG 47 1HB ARG 47 2.338 -13.291 4.037 321 HB3 ARG 47 2HB ARG 47 2.175 -11.981 2.875 322 HG2 ARG 47 1HG ARG 47 3.514 -10.576 4.057 323 HG3 ARG 47 2HG ARG 47 3.063 -11.277 5.612 324 HD2 ARG 47 1HD ARG 47 5.305 -11.903 5.271 325 HD3 ARG 47 2HD ARG 47 4.355 -13.338 4.890 326 HE ARG 47 HE ARG 47 5.002 -11.657 2.629 327 HH11 ARG 47 2HH1 ARG 47 5.930 -14.377 4.594 328 HH12 ARG 47 1HH1 ARG 47 6.929 -15.087 3.370 329 HH21 ARG 47 2HH2 ARG 47 6.314 -12.583 1.008 330 HH22 ARG 47 1HH2 ARG 47 7.147 -14.066 1.331 331 H THR 48 H THR 48 0.528 -14.234 5.394 332 HA THR 48 HA THR 48 -0.249 -13.646 8.058 333 HB THR 48 HB THR 48 -0.835 -15.763 6.895 334 HG1 THR 48 1HG THR 48 -1.113 -16.107 8.988 335 HG21 THR 48 1HG2 THR 48 1.160 -16.343 5.753 336 HG22 THR 48 2HG2 THR 48 0.934 -17.578 6.991 337 HG23 THR 48 3HG2 THR 48 2.111 -16.288 7.236 338 H ALA 49 H ALA 49 0.894 -13.631 9.946 339 HA ALA 49 HA ALA 49 3.805 -13.447 9.677 340 HB1 ALA 49 1HB ALA 49 3.490 -11.646 10.941 341 HB2 ALA 49 2HB ALA 49 1.820 -12.098 11.284 342 HB3 ALA 49 3HB ALA 49 3.128 -12.738 12.278 343 H GLN 50 H GLN 50 4.824 -15.323 9.977 344 HA GLN 50 HA GLN 50 3.829 -17.169 12.032 345 HB2 GLN 50 1HB GLN 50 4.167 -17.947 9.635 346 HB3 GLN 50 2HB GLN 50 5.893 -17.772 9.918 347 HG2 GLN 50 1HG GLN 50 5.922 -19.490 11.507 348 HG3 GLN 50 2HG GLN 50 4.169 -19.465 11.691 349 HE21 GLN 50 1HE2 GLN 50 5.510 -21.810 11.242 350 HE22 GLN 50 2HE2 GLN 50 5.131 -22.403 9.665 351 H MET 51 H MET 51 6.968 -16.078 10.725 352 HA MET 51 HA MET 51 7.997 -16.062 13.482 353 HB2 MET 51 1HB MET 51 10.111 -16.954 12.735 354 HB3 MET 51 2HB MET 51 8.826 -18.042 12.230 355 HG2 MET 51 1HG MET 51 9.027 -17.451 9.997 356 HG3 MET 51 2HG MET 51 9.860 -15.944 10.371 357 HE1 MET 51 1HE MET 51 10.228 -19.421 11.752 358 HE2 MET 51 2HE MET 51 10.540 -20.027 10.125 359 HE3 MET 51 3HE MET 51 11.849 -19.951 11.305 360 H GLN 52 H GLN 52 10.263 -14.885 13.435 361 HA GLN 52 HA GLN 52 9.935 -12.228 13.157 362 HB2 GLN 52 1HB GLN 52 12.371 -11.998 12.978 363 HB3 GLN 52 2HB GLN 52 11.926 -13.216 14.166 364 HG2 GLN 52 1HG GLN 52 12.398 -14.975 12.535 365 HG3 GLN 52 2HG GLN 52 12.857 -13.749 11.354 366 HE21 GLN 52 1HE2 GLN 52 14.937 -14.568 11.170 367 HE22 GLN 52 2HE2 GLN 52 16.122 -14.364 12.411 368 H ASP 53 H ASP 53 11.046 -14.406 10.592 369 HA ASP 53 HA ASP 53 9.897 -12.804 8.549 370 HB2 ASP 53 1HB ASP 53 11.819 -11.370 8.950 371 HB3 ASP 53 2HB ASP 53 12.910 -12.745 8.804 372 H ASN 54 H ASN 54 9.593 -13.981 6.728 373 HA ASN 54 HA ASN 54 10.846 -16.643 6.658 374 HB2 ASN 54 1HB ASN 54 8.280 -15.820 5.292 375 HB3 ASN 54 2HB ASN 54 8.897 -17.454 5.519 376 HD21 ASN 54 1HD2 ASN 54 7.750 -14.611 7.262 377 HD22 ASN 54 2HD2 ASN 54 7.094 -15.478 8.604 378 HA PRO 55 HA PRO 55 12.916 -15.538 2.932 379 HB2 PRO 55 1HB PRO 55 13.341 -18.027 1.934 380 HB3 PRO 55 2HB PRO 55 14.245 -17.374 3.306 381 HG2 PRO 55 1HG PRO 55 11.901 -19.236 3.294 382 HG3 PRO 55 2HG PRO 55 13.379 -19.305 4.271 383 HD2 PRO 55 1HD PRO 55 11.036 -18.355 5.240 384 HD3 PRO 55 2HD PRO 55 12.611 -17.732 5.771 385 H SER 56 H SER 56 11.118 -14.506 1.899 386 HA SER 56 HA SER 56 10.288 -15.817 -0.495 387 HB2 SER 56 1HB SER 56 8.326 -15.487 1.756 388 HB3 SER 56 2HB SER 56 7.778 -15.406 0.082 389 HG SER 56 HG SER 56 7.639 -17.512 0.505 390 H GLN 57 H GLN 57 9.335 -14.391 -1.997 391 HA GLN 57 HA GLN 57 10.106 -11.669 -1.672 392 HB2 GLN 57 1HB GLN 57 8.676 -13.204 -3.819 393 HB3 GLN 57 2HB GLN 57 8.794 -11.452 -3.902 394 HG2 GLN 57 1HG GLN 57 10.542 -12.531 -5.204 395 HG3 GLN 57 2HG GLN 57 11.215 -11.590 -3.874 396 HE21 GLN 57 1HE2 GLN 57 12.612 -12.551 -2.569 397 HE22 GLN 57 2HE2 GLN 57 12.908 -14.251 -2.486 398 H LEU 58 H LEU 58 9.001 -10.554 -0.150 399 HA LEU 58 HA LEU 58 6.524 -10.711 0.819 400 HB2 LEU 58 1HB LEU 58 8.250 -8.388 0.192 401 HB3 LEU 58 2HB LEU 58 6.573 -8.048 0.614 402 HG LEU 58 HG LEU 58 8.432 -9.652 2.362 403 HD11 LEU 58 1HD1 LEU 58 9.464 -7.567 2.339 404 HD12 LEU 58 2HD1 LEU 58 8.389 -7.479 3.733 405 HD13 LEU 58 3HD1 LEU 58 7.933 -6.701 2.218 406 HD21 LEU 58 1HD2 LEU 58 5.672 -8.531 2.641 407 HD22 LEU 58 2HD2 LEU 58 6.683 -8.785 4.064 408 HD23 LEU 58 3HD2 LEU 58 6.268 -10.147 3.022 409 H VAL 59 H VAL 59 4.661 -11.118 -0.166 410 HA VAL 59 HA VAL 59 4.116 -10.223 -2.845 411 HB VAL 59 HB VAL 59 2.061 -11.431 -2.695 412 HG11 VAL 59 1HG1 VAL 59 4.128 -12.763 -2.889 413 HG12 VAL 59 2HG1 VAL 59 4.143 -12.958 -1.135 414 HG13 VAL 59 3HG1 VAL 59 2.827 -13.643 -2.089 415 HG21 VAL 59 1HG2 VAL 59 1.427 -10.572 -0.447 416 HG22 VAL 59 2HG2 VAL 59 1.138 -12.299 -0.655 417 HG23 VAL 59 3HG2 VAL 59 2.535 -11.744 0.266 418 H PHE 60 H PHE 60 2.594 -8.731 -3.514 419 HA PHE 60 HA PHE 60 1.475 -6.997 -1.411 420 HB2 PHE 60 1HB PHE 60 2.695 -6.209 -4.060 421 HB3 PHE 60 2HB PHE 60 1.741 -5.112 -3.068 422 HD1 PHE 60 1HD PHE 60 4.538 -7.523 -2.505 423 HD2 PHE 60 2HD PHE 60 2.981 -3.613 -1.871 424 HE1 PHE 60 1HE PHE 60 6.558 -6.929 -1.231 425 HE2 PHE 60 2HE PHE 60 4.998 -3.012 -0.597 426 HZ PHE 60 HZ PHE 60 6.791 -4.671 -0.277 427 H MET 61 H MET 61 -0.584 -6.175 -1.733 428 HA MET 61 HA MET 61 -2.048 -7.262 -4.048 429 HB2 MET 61 1HB MET 61 -3.990 -7.595 -2.634 430 HB3 MET 61 2HB MET 61 -2.613 -8.455 -1.958 431 HG2 MET 61 1HG MET 61 -3.601 -7.486 -0.107 432 HG3 MET 61 2HG MET 61 -2.290 -6.375 -0.495 433 HE1 MET 61 1HE MET 61 -5.747 -4.720 0.907 434 HE2 MET 61 2HE MET 61 -4.636 -6.016 1.349 435 HE3 MET 61 3HE MET 61 -4.037 -4.368 1.158 436 H ARG 62 H ARG 62 -3.476 -5.926 -5.075 437 HA ARG 62 HA ARG 62 -3.092 -3.148 -4.873 438 HB2 ARG 62 1HB ARG 62 -3.876 -4.434 -6.904 439 HB3 ARG 62 2HB ARG 62 -5.461 -4.516 -6.148 440 HG2 ARG 62 1HG ARG 62 -5.200 -1.919 -6.003 441 HG3 ARG 62 2HG ARG 62 -4.028 -2.174 -7.298 442 HD2 ARG 62 1HD ARG 62 -6.023 -1.796 -8.437 443 HD3 ARG 62 2HD ARG 62 -5.884 -3.553 -8.422 444 HE ARG 62 HE ARG 62 -7.414 -2.430 -6.243 445 HH11 ARG 62 2HH1 ARG 62 -7.477 -3.728 -9.473 446 HH12 ARG 62 1HH1 ARG 62 -9.154 -4.159 -9.407 447 HH21 ARG 62 2HH2 ARG 62 -9.622 -2.994 -6.144 448 HH22 ARG 62 1HH2 ARG 62 -10.373 -3.741 -7.514 449 H ILE 63 H ILE 63 -3.977 -1.662 -3.594 450 HA ILE 63 HA ILE 63 -6.250 -2.456 -1.910 451 HB ILE 63 HB ILE 63 -5.594 -0.588 -0.438 452 HG12 ILE 63 1HG1 ILE 63 -3.124 -0.354 -2.160 453 HG13 ILE 63 2HG1 ILE 63 -4.501 0.733 -2.303 454 HG21 ILE 63 1HG2 ILE 63 -3.602 -1.630 0.482 455 HG22 ILE 63 2HG2 ILE 63 -4.752 -2.858 -0.045 456 HG23 ILE 63 3HG2 ILE 63 -3.335 -2.495 -1.031 457 HD11 ILE 63 1HD1 ILE 63 -3.635 1.990 -0.710 458 HD12 ILE 63 2HD1 ILE 63 -3.791 0.647 0.423 459 HD13 ILE 63 3HD1 ILE 63 -2.305 0.851 -0.505 460 H TYR 64 H TYR 64 -5.096 0.035 -4.106 461 HA TYR 64 HA TYR 64 -7.849 0.944 -4.456 462 HB2 TYR 64 1HB TYR 64 -7.263 2.622 -2.973 463 HB3 TYR 64 2HB TYR 64 -5.575 2.621 -3.474 464 HD1 TYR 64 2HD TYR 64 -5.088 3.496 -5.872 465 HD2 TYR 64 1HD TYR 64 -8.695 4.278 -3.754 466 HE1 TYR 64 2HE TYR 64 -5.512 5.436 -7.323 467 HE2 TYR 64 1HE TYR 64 -9.130 6.220 -5.200 468 HH TYR 64 HH TYR 64 -6.786 7.257 -7.637 469 H CYS 65 H CYS 65 -8.296 1.784 -6.484 470 HA CYS 65 HA CYS 65 -6.082 1.763 -8.423 471 HB2 CYS 65 1HB CYS 65 -7.592 0.736 -10.080 472 HB3 CYS 65 2HB CYS 65 -7.342 -0.310 -8.687 473 HG CYS 65 HG CYS 65 -9.829 0.465 -7.507 474 H GLY 66 H GLY 66 -5.905 3.608 -9.506 475 HA2 GLY 66 1HA GLY 66 -7.850 5.015 -10.823 476 HA3 GLY 66 2HA GLY 66 -7.864 5.682 -9.197 477 H LEU 67 H LEU 67 -7.268 7.261 -11.378 478 HA LEU 67 HA LEU 67 -4.358 7.533 -11.420 479 HB2 LEU 67 1HB LEU 67 -4.850 9.298 -13.141 480 HB3 LEU 67 2HB LEU 67 -5.307 7.652 -13.573 481 HG LEU 67 HG LEU 67 -7.386 9.424 -12.392 482 HD11 LEU 67 1HD1 LEU 67 -7.743 9.890 -15.029 483 HD12 LEU 67 2HD1 LEU 67 -5.983 9.924 -14.926 484 HD13 LEU 67 3HD1 LEU 67 -6.946 11.009 -13.923 485 HD21 LEU 67 1HD2 LEU 67 -8.330 8.043 -14.610 486 HD22 LEU 67 2HD2 LEU 67 -8.553 7.605 -12.916 487 HD23 LEU 67 3HD2 LEU 67 -7.208 6.925 -13.834 488 H LYS 68 H LYS 68 -6.289 8.273 -9.163 489 HA LYS 68 HA LYS 68 -6.140 11.124 -8.943 490 HB2 LYS 68 1HB LYS 68 -7.901 9.726 -7.856 491 HB3 LYS 68 2HB LYS 68 -6.673 9.092 -6.769 492 HG2 LYS 68 1HG LYS 68 -6.545 11.014 -5.562 493 HG3 LYS 68 2HG LYS 68 -6.970 12.037 -6.936 494 HD2 LYS 68 1HD LYS 68 -9.243 11.662 -6.676 495 HD3 LYS 68 2HD LYS 68 -8.994 10.159 -5.783 496 HE2 LYS 68 1HE LYS 68 -8.146 11.440 -3.876 497 HE3 LYS 68 2HE LYS 68 -8.398 12.939 -4.770 498 HZ1 LYS 68 1HZ LYS 68 -10.429 12.965 -3.916 499 HZ2 LYS 68 2HZ LYS 68 -10.265 11.410 -3.272 500 HZ3 LYS 68 3HZ LYS 68 -10.806 11.614 -4.862 501 H THR 69 H THR 69 -3.734 9.008 -8.950 502 HA THR 69 HA THR 69 -1.700 8.770 -7.893 503 HB THR 69 HB THR 69 -0.404 10.847 -7.857 504 HG1 THR 69 1HG THR 69 -2.959 12.059 -8.198 505 HG21 THR 69 1HG2 THR 69 -2.267 10.804 -10.233 506 HG22 THR 69 2HG2 THR 69 -0.901 9.711 -10.016 507 HG23 THR 69 3HG2 THR 69 -0.625 11.444 -10.183 508 H SER 70 H SER 70 -4.032 8.985 -6.056 509 HA SER 70 HA SER 70 -2.565 9.179 -3.621 510 HB2 SER 70 1HB SER 70 -3.249 11.625 -4.389 511 HB3 SER 70 2HB SER 70 -4.799 11.162 -3.688 512 HG SER 70 HG SER 70 -3.959 11.339 -1.771 513 H CYS 71 H CYS 71 -3.785 8.486 -1.788 514 HA CYS 71 HA CYS 71 -6.541 7.719 -2.103 515 HB2 CYS 71 1HB CYS 71 -6.259 5.344 -1.897 516 HB3 CYS 71 2HB CYS 71 -5.280 5.883 -3.256 517 HG CYS 71 HG CYS 71 -3.807 5.564 -0.215 518 H THR 72 H THR 72 -7.249 6.399 -0.105 519 HA THR 72 HA THR 72 -5.750 7.318 2.258 520 HB THR 72 HB THR 72 -8.764 7.238 2.076 521 HG1 THR 72 1HG THR 72 -8.662 9.457 1.806 522 HG21 THR 72 1HG2 THR 72 -6.882 8.399 4.134 523 HG22 THR 72 2HG2 THR 72 -7.894 6.969 4.334 524 HG23 THR 72 3HG2 THR 72 -8.637 8.558 4.153 525 H VAL 73 H VAL 73 -5.209 5.729 3.595 526 HA VAL 73 HA VAL 73 -6.683 3.185 3.419 527 HB VAL 73 HB VAL 73 -3.857 3.652 4.380 528 HG11 VAL 73 1HG1 VAL 73 -3.780 1.527 5.078 529 HG12 VAL 73 2HG1 VAL 73 -5.542 1.605 5.068 530 HG13 VAL 73 3HG1 VAL 73 -4.679 0.939 3.681 531 HG21 VAL 73 1HG2 VAL 73 -5.015 2.951 1.745 532 HG22 VAL 73 2HG2 VAL 73 -3.555 3.858 2.136 533 HG23 VAL 73 3HG2 VAL 73 -3.552 2.098 2.236 534 H THR 74 H THR 74 -7.880 2.619 5.103 535 HA THR 74 HA THR 74 -7.518 4.034 7.642 536 HB THR 74 HB THR 74 -9.747 3.153 8.239 537 HG1 THR 74 1HG THR 74 -9.644 2.041 5.614 538 HG21 THR 74 1HG2 THR 74 -9.642 4.533 5.553 539 HG22 THR 74 2HG2 THR 74 -9.588 5.321 7.130 540 HG23 THR 74 3HG2 THR 74 -11.045 4.469 6.619 541 H ALA 75 H ALA 75 -8.090 2.662 9.630 542 HA ALA 75 HA ALA 75 -6.137 0.821 10.144 543 HB1 ALA 75 1HB ALA 75 -8.003 1.948 11.659 544 HB2 ALA 75 2HB ALA 75 -8.743 0.357 11.481 545 HB3 ALA 75 3HB ALA 75 -7.126 0.505 12.168 546 H GLY 76 H GLY 76 -9.492 0.079 9.186 547 HA2 GLY 76 1HA GLY 76 -9.627 -2.591 9.214 548 HA3 GLY 76 2HA GLY 76 -10.234 -1.670 7.845 549 H GLN 77 H GLN 77 -8.412 -1.006 6.261 550 HA GLN 77 HA GLN 77 -7.344 -3.354 5.159 551 HB2 GLN 77 1HB GLN 77 -6.655 -0.458 4.644 552 HB3 GLN 77 2HB GLN 77 -6.067 -1.797 3.667 553 HG2 GLN 77 1HG GLN 77 -8.997 -1.521 4.084 554 HG3 GLN 77 2HG GLN 77 -8.189 -0.417 2.973 555 HE21 GLN 77 1HE2 GLN 77 -6.448 -1.790 1.625 556 HE22 GLN 77 2HE2 GLN 77 -7.149 -3.139 0.803 557 H LEU 78 H LEU 78 -5.837 -0.785 7.076 558 HA LEU 78 HA LEU 78 -3.189 -1.491 6.921 559 HB2 LEU 78 1HB LEU 78 -4.855 -0.305 9.094 560 HB3 LEU 78 2HB LEU 78 -3.176 -0.724 9.424 561 HG LEU 78 HG LEU 78 -4.067 1.162 7.245 562 HD11 LEU 78 1HD1 LEU 78 -4.178 2.799 8.734 563 HD12 LEU 78 2HD1 LEU 78 -2.588 2.385 9.373 564 HD13 LEU 78 3HD1 LEU 78 -4.029 1.596 10.015 565 HD21 LEU 78 1HD2 LEU 78 -1.339 1.298 8.285 566 HD22 LEU 78 2HD2 LEU 78 -1.924 1.319 6.621 567 HD23 LEU 78 3HD2 LEU 78 -1.718 -0.217 7.465 568 H ALA 79 H ALA 79 -5.663 -2.851 9.065 569 HA ALA 79 HA ALA 79 -4.161 -4.494 10.661 570 HB1 ALA 79 1HB ALA 79 -6.190 -6.057 10.566 571 HB2 ALA 79 2HB ALA 79 -6.447 -4.404 11.127 572 HB3 ALA 79 3HB ALA 79 -6.895 -4.857 9.483 573 H ASN 80 H ASN 80 -5.161 -5.054 7.323 574 HA ASN 80 HA ASN 80 -4.172 -7.727 7.201 575 HB2 ASN 80 1HB ASN 80 -4.724 -5.818 4.919 576 HB3 ASN 80 2HB ASN 80 -4.582 -7.570 4.808 577 HD21 ASN 80 1HD2 ASN 80 -6.780 -5.548 4.289 578 HD22 ASN 80 2HD2 ASN 80 -8.150 -6.205 5.111 579 H ALA 81 H ALA 81 -2.777 -4.585 6.799 580 HA ALA 81 HA ALA 81 -0.565 -5.172 5.203 581 HB1 ALA 81 1HB ALA 81 -0.671 -3.195 7.476 582 HB2 ALA 81 2HB ALA 81 0.445 -3.178 6.110 583 HB3 ALA 81 3HB ALA 81 -1.276 -2.895 5.847 584 H HIS 82 H HIS 82 1.491 -5.900 5.614 585 HA HIS 82 HA HIS 82 1.866 -7.233 8.208 586 HB2 HIS 82 1HB HIS 82 1.999 -8.871 6.531 587 HB3 HIS 82 2HB HIS 82 2.897 -7.816 5.444 588 HD1 HIS 82 1HD HIS 82 3.343 -10.469 7.880 589 HD2 HIS 82 2HD HIS 82 5.655 -7.374 6.352 590 HE1 HIS 82 1HE HIS 82 5.719 -11.056 8.459 591 HE2 HIS 82 2HE HIS 82 7.092 -9.127 7.600 592 H ILE 83 H ILE 83 3.018 -6.020 9.562 593 HA ILE 83 HA ILE 83 4.983 -4.131 8.605 594 HB ILE 83 HB ILE 83 4.220 -4.894 11.427 595 HG12 ILE 83 1HG1 ILE 83 3.328 -2.383 11.136 596 HG13 ILE 83 2HG1 ILE 83 3.200 -2.909 9.461 597 HG21 ILE 83 1HG2 ILE 83 6.416 -4.021 11.511 598 HG22 ILE 83 2HG2 ILE 83 6.033 -2.750 10.351 599 HG23 ILE 83 3HG2 ILE 83 5.344 -2.700 11.974 600 HD11 ILE 83 1HD1 ILE 83 1.118 -3.195 10.746 601 HD12 ILE 83 2HD1 ILE 83 1.741 -4.710 10.092 602 HD13 ILE 83 3HD1 ILE 83 1.956 -4.332 11.801 603 H ASP 84 H ASP 84 7.142 -4.357 8.592 604 HA ASP 84 HA ASP 84 8.257 -6.970 9.028 605 HB2 ASP 84 1HB ASP 84 8.938 -5.383 7.177 606 HB3 ASP 84 2HB ASP 84 9.762 -4.427 8.406 607 H TYR 85 H TYR 85 8.348 -7.528 11.144 608 HA TYR 85 HA TYR 85 9.423 -5.638 13.089 609 HB2 TYR 85 1HB TYR 85 8.062 -8.314 13.319 610 HB3 TYR 85 2HB TYR 85 8.883 -7.580 14.693 611 HD1 TYR 85 1HD TYR 85 8.212 -4.839 14.701 612 HD2 TYR 85 2HD TYR 85 5.777 -8.117 13.505 613 HE1 TYR 85 1HE TYR 85 6.198 -3.519 15.203 614 HE2 TYR 85 2HE TYR 85 3.757 -6.806 14.003 615 HH TYR 85 HH TYR 85 3.189 -4.818 15.554 616 H THR 86 H THR 86 11.291 -6.421 11.208 617 HA THR 86 HA THR 86 12.944 -8.453 12.520 618 HB THR 86 HB THR 86 14.329 -8.412 10.508 619 HG1 THR 86 1HG THR 86 14.060 -6.223 9.923 620 HG21 THR 86 1HG2 THR 86 11.420 -8.914 10.395 621 HG22 THR 86 2HG2 THR 86 12.772 -9.996 10.062 622 HG23 THR 86 3HG2 THR 86 12.253 -8.833 8.842 623 H SER 87 H SER 87 13.182 -5.127 11.277 624 HA SER 87 HA SER 87 15.318 -4.645 13.244 625 HB2 SER 87 1HB SER 87 15.234 -3.711 10.367 626 HB3 SER 87 2HB SER 87 16.371 -3.100 11.569 627 HG SER 87 HG SER 87 17.253 -4.811 10.319 628 H ARG 88 H ARG 88 12.932 -3.115 11.098 629 HA ARG 88 HA ARG 88 12.317 -1.219 13.246 630 HB2 ARG 88 1HB ARG 88 13.912 -0.294 11.407 631 HB3 ARG 88 2HB ARG 88 12.464 -0.250 10.410 632 HG2 ARG 88 1HG ARG 88 11.399 1.284 11.884 633 HG3 ARG 88 2HG ARG 88 12.673 1.095 13.091 634 HD2 ARG 88 1HD ARG 88 13.113 2.198 10.321 635 HD3 ARG 88 2HD ARG 88 12.822 3.194 11.747 636 HE ARG 88 HE ARG 88 15.030 1.337 11.964 637 HH11 ARG 88 2HH1 ARG 88 13.999 4.558 11.137 638 HH12 ARG 88 1HH1 ARG 88 15.570 5.257 11.355 639 HH21 ARG 88 2HH2 ARG 88 17.102 2.245 12.255 640 HH22 ARG 88 1HH2 ARG 88 17.334 3.940 11.990 641 HA PRO 89 HA PRO 89 8.261 -2.655 12.098 642 HB2 PRO 89 1HB PRO 89 6.911 -1.168 13.925 643 HB3 PRO 89 2HB PRO 89 7.792 -2.642 14.347 644 HG2 PRO 89 1HG PRO 89 8.632 0.217 14.639 645 HG3 PRO 89 2HG PRO 89 8.824 -1.128 15.779 646 HD2 PRO 89 1HD PRO 89 10.843 -0.261 14.196 647 HD3 PRO 89 2HD PRO 89 10.673 -1.960 14.681 648 H ALA 90 H ALA 90 8.142 -1.699 10.030 649 HA ALA 90 HA ALA 90 6.627 0.808 9.988 650 HB1 ALA 90 1HB ALA 90 7.966 1.856 8.396 651 HB2 ALA 90 2HB ALA 90 9.129 1.149 9.517 652 HB3 ALA 90 3HB ALA 90 8.801 0.361 7.974 653 H ILE 91 H ILE 91 5.415 1.135 8.010 654 HA ILE 91 HA ILE 91 4.505 -1.405 6.906 655 HB ILE 91 HB ILE 91 3.369 1.378 6.614 656 HG12 ILE 91 1HG1 ILE 91 2.410 -0.995 8.228 657 HG13 ILE 91 2HG1 ILE 91 3.200 0.432 8.890 658 HG21 ILE 91 1HG2 ILE 91 1.550 -0.772 6.018 659 HG22 ILE 91 2HG2 ILE 91 1.997 0.624 5.038 660 HG23 ILE 91 3HG2 ILE 91 2.970 -0.846 4.975 661 HD11 ILE 91 1HD1 ILE 91 0.879 1.074 7.263 662 HD12 ILE 91 2HD1 ILE 91 0.500 0.050 8.648 663 HD13 ILE 91 3HD1 ILE 91 1.308 1.598 8.891 664 H VAL 92 H VAL 92 5.041 -2.110 4.949 665 HA VAL 92 HA VAL 92 6.567 -0.349 3.186 666 HB VAL 92 HB VAL 92 6.086 -3.326 2.996 667 HG11 VAL 92 1HG1 VAL 92 8.141 -3.097 1.452 668 HG12 VAL 92 2HG1 VAL 92 6.553 -2.661 0.818 669 HG13 VAL 92 3HG1 VAL 92 7.673 -1.401 1.339 670 HG21 VAL 92 1HG2 VAL 92 8.486 -1.774 3.962 671 HG22 VAL 92 2HG2 VAL 92 7.406 -2.754 4.954 672 HG23 VAL 92 3HG2 VAL 92 8.424 -3.522 3.736 673 H PHE 93 H PHE 93 5.640 0.628 1.521 674 HA PHE 93 HA PHE 93 3.097 -0.440 0.498 675 HB2 PHE 93 1HB PHE 93 4.214 2.356 0.598 676 HB3 PHE 93 2HB PHE 93 2.870 1.934 -0.457 677 HD1 PHE 93 2HD PHE 93 0.751 1.071 0.557 678 HD2 PHE 93 1HD PHE 93 3.893 2.743 2.892 679 HE1 PHE 93 2HE PHE 93 -0.817 1.404 2.423 680 HE2 PHE 93 1HE PHE 93 2.330 3.078 4.762 681 HZ PHE 93 HZ PHE 93 -0.029 2.409 4.529 682 H ARG 94 H ARG 94 2.717 0.210 -1.877 683 HA ARG 94 HA ARG 94 5.129 0.200 -3.498 684 HB2 ARG 94 1HB ARG 94 3.302 -2.129 -3.206 685 HB3 ARG 94 2HB ARG 94 3.894 -1.764 -4.821 686 HG2 ARG 94 1HG ARG 94 5.777 -2.008 -2.507 687 HG3 ARG 94 2HG ARG 94 5.204 -3.431 -3.379 688 HD2 ARG 94 1HD ARG 94 6.010 -2.368 -5.489 689 HD3 ARG 94 2HD ARG 94 6.722 -1.087 -4.510 690 HE ARG 94 HE ARG 94 8.406 -2.525 -3.895 691 HH11 ARG 94 2HH1 ARG 94 5.852 -4.308 -5.450 692 HH12 ARG 94 1HH1 ARG 94 6.767 -5.774 -5.563 693 HH21 ARG 94 2HH2 ARG 94 9.621 -4.450 -4.038 694 HH22 ARG 94 1HH2 ARG 94 8.911 -5.854 -4.759 695 H ILE 95 H ILE 95 4.850 1.497 -5.188 696 HA ILE 95 HA ILE 95 2.152 1.821 -6.306 697 HB ILE 95 HB ILE 95 4.044 4.114 -5.774 698 HG12 ILE 95 1HG1 ILE 95 1.365 3.739 -4.468 699 HG13 ILE 95 2HG1 ILE 95 2.800 2.978 -3.789 700 HG21 ILE 95 1HG2 ILE 95 2.416 4.116 -7.791 701 HG22 ILE 95 2HG2 ILE 95 1.172 4.367 -6.568 702 HG23 ILE 95 3HG2 ILE 95 2.487 5.530 -6.739 703 HD11 ILE 95 1HD1 ILE 95 2.519 5.928 -4.302 704 HD12 ILE 95 2HD1 ILE 95 2.233 5.142 -2.749 705 HD13 ILE 95 3HD1 ILE 95 3.842 5.112 -3.469 706 H SER 96 H SER 96 2.051 1.983 -8.490 707 HA SER 96 HA SER 96 4.445 2.527 -10.041 708 HB2 SER 96 1HB SER 96 4.148 -0.043 -9.458 709 HB3 SER 96 2HB SER 96 2.994 0.024 -10.790 710 HG SER 96 HG SER 96 4.619 0.676 -12.151 711 H ALA 97 H ALA 97 3.894 2.403 -12.460 712 HA ALA 97 HA ALA 97 1.137 3.366 -12.869 713 HB1 ALA 97 1HB ALA 97 2.726 5.213 -12.979 714 HB2 ALA 97 2HB ALA 97 3.640 4.363 -14.225 715 HB3 ALA 97 3HB ALA 97 1.997 4.910 -14.557 716 H LYS 98 H LYS 98 0.048 2.668 -14.663 717 HA LYS 98 HA LYS 98 1.111 0.310 -15.963 718 HB2 LYS 98 1HB LYS 98 -1.347 0.824 -15.128 719 HB3 LYS 98 2HB LYS 98 -1.506 1.524 -16.733 720 HG2 LYS 98 1HG LYS 98 -0.951 -0.575 -17.762 721 HG3 LYS 98 2HG LYS 98 -0.604 -1.296 -16.188 722 HD2 LYS 98 1HD LYS 98 -2.814 -1.489 -15.637 723 HD3 LYS 98 2HD LYS 98 -3.290 -0.092 -16.605 724 HE2 LYS 98 1HE LYS 98 -2.844 -1.455 -18.649 725 HE3 LYS 98 2HE LYS 98 -2.577 -2.848 -17.601 726 HZ1 LYS 98 1HZ LYS 98 -4.813 -2.765 -16.861 727 HZ2 LYS 98 2HZ LYS 98 -4.859 -2.667 -18.549 728 HZ3 LYS 98 3HZ LYS 98 -5.092 -1.276 -17.614 729 H ASN 99 H ASN 99 1.529 0.066 -18.141 730 HA ASN 99 HA ASN 99 1.777 2.578 -19.657 731 HB2 ASN 99 1HB ASN 99 3.873 1.226 -19.069 732 HB3 ASN 99 2HB ASN 99 3.295 0.039 -20.234 733 HD21 ASN 99 1HD2 ASN 99 5.655 1.879 -20.155 734 HD22 ASN 99 2HD2 ASN 99 5.610 2.709 -21.670 735 H GLU 100 H GLU 100 1.655 -0.873 -20.536 736 HA GLU 100 HA GLU 100 -0.542 -0.232 -22.389 737 HB2 GLU 100 1HB GLU 100 2.020 -1.671 -22.882 738 HB3 GLU 100 2HB GLU 100 0.582 -2.248 -23.712 739 HG2 GLU 100 1HG GLU 100 1.213 0.656 -23.806 740 HG3 GLU 100 2HG GLU 100 2.159 -0.455 -24.795 741 H LYS 101 H LYS 101 1.172 -3.103 -21.142 742 HA LYS 101 HA LYS 101 -1.376 -4.503 -20.918 743 HB2 LYS 101 1HB LYS 101 1.503 -5.339 -20.811 744 HB3 LYS 101 2HB LYS 101 0.254 -6.399 -20.172 745 HG2 LYS 101 1HG LYS 101 -0.038 -5.295 -22.925 746 HG3 LYS 101 2HG LYS 101 1.068 -6.640 -22.637 747 HD2 LYS 101 1HD LYS 101 -0.630 -8.083 -22.045 748 HD3 LYS 101 2HD LYS 101 -1.713 -6.777 -21.559 749 HE2 LYS 101 1HE LYS 101 -0.886 -7.228 -24.415 750 HE3 LYS 101 2HE LYS 101 -2.299 -8.003 -23.702 751 HZ1 LYS 101 1HZ LYS 101 -3.470 -6.149 -23.933 752 HZ2 LYS 101 2HZ LYS 101 -2.199 -5.513 -24.850 753 HZ3 LYS 101 3HZ LYS 101 -2.279 -5.204 -23.189 754 H GLY 102 H GLY 102 1.365 -3.560 -18.863 755 HA2 GLY 102 1HA GLY 102 -0.430 -3.409 -16.580 756 HA3 GLY 102 2HA GLY 102 0.849 -4.609 -16.459 757 H TYR 103 H TYR 103 1.818 -3.569 -14.706 758 HA TYR 103 HA TYR 103 2.880 -0.879 -15.183 759 HB2 TYR 103 1HB TYR 103 2.890 -2.486 -12.622 760 HB3 TYR 103 2HB TYR 103 3.309 -0.786 -12.797 761 HD1 TYR 103 1HD TYR 103 0.465 -3.135 -13.369 762 HD2 TYR 103 2HD TYR 103 1.688 0.822 -12.394 763 HE1 TYR 103 1HE TYR 103 -1.879 -2.521 -12.946 764 HE2 TYR 103 2HE TYR 103 -0.652 1.446 -11.967 765 HH TYR 103 HH TYR 103 -3.213 -0.195 -13.015 766 H GLY 104 H GLY 104 5.127 -0.492 -14.271 767 HA2 GLY 104 1HA GLY 104 6.865 -2.751 -15.053 768 HA3 GLY 104 2HA GLY 104 7.260 -1.065 -15.354 769 HA PRO 105 HA PRO 105 9.696 -1.315 -11.681 770 HB2 PRO 105 1HB PRO 105 10.217 1.337 -11.424 771 HB3 PRO 105 2HB PRO 105 11.006 0.316 -12.632 772 HG2 PRO 105 1HG PRO 105 8.684 2.179 -12.951 773 HG3 PRO 105 2HG PRO 105 10.082 1.941 -14.016 774 HD2 PRO 105 1HD PRO 105 7.663 0.833 -14.518 775 HD3 PRO 105 2HD PRO 105 9.187 0.046 -14.976 776 H ALA 106 H ALA 106 8.989 -1.553 -9.663 777 HA ALA 106 HA ALA 106 6.761 0.121 -8.730 778 HB1 ALA 106 1HB ALA 106 7.344 -2.024 -6.936 779 HB2 ALA 106 2HB ALA 106 5.892 -1.741 -7.898 780 HB3 ALA 106 3HB ALA 106 7.240 -2.651 -8.581 781 H THR 107 H THR 107 7.014 1.520 -7.100 782 HA THR 107 HA THR 107 9.668 1.867 -5.977 783 HB THR 107 HB THR 107 7.158 3.514 -5.600 784 HG1 THR 107 1HG THR 107 8.426 3.364 -7.734 785 HG21 THR 107 1HG2 THR 107 9.379 3.473 -3.974 786 HG22 THR 107 2HG2 THR 107 8.257 4.823 -4.147 787 HG23 THR 107 3HG2 THR 107 9.741 4.780 -5.100 788 H GLN 108 H GLN 108 10.268 1.442 -3.926 789 HA GLN 108 HA GLN 108 8.228 0.285 -2.147 790 HB2 GLN 108 1HB GLN 108 9.951 -1.311 -2.786 791 HB3 GLN 108 2HB GLN 108 11.209 -0.204 -2.253 792 HG2 GLN 108 1HG GLN 108 10.431 -0.398 0.042 793 HG3 GLN 108 2HG GLN 108 9.136 -1.475 -0.479 794 HE21 GLN 108 1HE2 GLN 108 10.108 -2.917 1.112 795 HE22 GLN 108 2HE2 GLN 108 11.436 -3.913 0.634 796 H ILE 109 H ILE 109 7.588 1.701 -0.665 797 HA ILE 109 HA ILE 109 9.610 3.468 0.549 798 HB ILE 109 HB ILE 109 7.897 4.719 -0.673 799 HG12 ILE 109 1HG1 ILE 109 7.320 5.099 2.255 800 HG13 ILE 109 2HG1 ILE 109 8.910 5.457 1.592 801 HG21 ILE 109 1HG2 ILE 109 6.159 2.786 0.470 802 HG22 ILE 109 2HG2 ILE 109 5.643 4.382 1.013 803 HG23 ILE 109 3HG2 ILE 109 5.785 4.042 -0.711 804 HD11 ILE 109 1HD1 ILE 109 7.140 6.741 -0.113 805 HD12 ILE 109 2HD1 ILE 109 6.487 7.008 1.504 806 HD13 ILE 109 3HD1 ILE 109 8.145 7.480 1.133 807 H ARG 110 H ARG 110 9.854 3.472 2.719 808 HA ARG 110 HA ARG 110 8.211 1.567 4.238 809 HB2 ARG 110 1HB ARG 110 11.037 2.527 4.513 810 HB3 ARG 110 2HB ARG 110 10.190 1.893 5.918 811 HG2 ARG 110 1HG ARG 110 9.693 -0.152 4.461 812 HG3 ARG 110 2HG ARG 110 10.947 0.478 3.390 813 HD2 ARG 110 1HD ARG 110 11.424 0.083 6.328 814 HD3 ARG 110 2HD ARG 110 11.638 -1.229 5.170 815 HE ARG 110 HE ARG 110 13.133 0.701 4.081 816 HH11 ARG 110 2HH1 ARG 110 12.938 -0.500 7.343 817 HH12 ARG 110 1HH1 ARG 110 14.594 -0.148 7.711 818 HH21 ARG 110 2HH2 ARG 110 15.315 1.170 4.553 819 HH22 ARG 110 1HH2 ARG 110 15.945 0.803 6.124 820 H TRP 111 H TRP 111 6.574 2.574 5.216 821 HA TRP 111 HA TRP 111 7.014 5.236 6.366 822 HB2 TRP 111 1HB TRP 111 5.063 4.779 4.804 823 HB3 TRP 111 2HB TRP 111 4.377 3.792 6.091 824 HD1 TRP 111 HD TRP 111 5.712 7.435 5.775 825 HE1 TRP 111 1HE TRP 111 4.141 8.963 7.125 826 HE3 TRP 111 3HE TRP 111 2.497 3.897 7.588 827 HZ2 TRP 111 2HZ TRP 111 1.844 8.704 8.745 828 HZ3 TRP 111 3HZ TRP 111 0.639 4.620 9.030 829 HH2 TRP 111 HH TRP 111 0.322 6.974 9.596 830 H LEU 112 H LEU 112 7.814 5.086 8.372 831 HA LEU 112 HA LEU 112 7.473 2.956 10.145 832 HB2 LEU 112 1HB LEU 112 8.129 5.851 10.650 833 HB3 LEU 112 2HB LEU 112 8.184 4.608 11.897 834 HG LEU 112 HG LEU 112 9.847 4.502 9.388 835 HD11 LEU 112 1HD1 LEU 112 10.691 5.492 12.105 836 HD12 LEU 112 2HD1 LEU 112 10.351 6.529 10.721 837 HD13 LEU 112 3HD1 LEU 112 11.687 5.381 10.654 838 HD21 LEU 112 1HD2 LEU 112 9.258 2.559 11.236 839 HD22 LEU 112 2HD2 LEU 112 10.790 3.207 11.824 840 HD23 LEU 112 3HD2 LEU 112 10.670 2.582 10.179 841 H GLN 113 H GLN 113 5.514 2.260 10.744 842 HA GLN 113 HA GLN 113 3.349 4.104 11.259 843 HB2 GLN 113 1HB GLN 113 2.006 2.103 11.652 844 HB3 GLN 113 2HB GLN 113 2.907 1.963 10.148 845 HG2 GLN 113 1HG GLN 113 3.282 -0.103 11.002 846 HG3 GLN 113 2HG GLN 113 4.652 0.753 11.709 847 HE21 GLN 113 1HE2 GLN 113 1.239 0.074 12.410 848 HE22 GLN 113 2HE2 GLN 113 1.470 -0.241 14.093 849 H GLY 114 H GLY 114 1.969 3.441 13.319 850 HA2 GLY 114 1HA GLY 114 3.838 3.454 15.609 851 HA3 GLY 114 2HA GLY 114 2.385 4.441 15.551 852 H ASN 115 H ASN 115 0.734 3.686 16.682 853 HA ASN 115 HA ASN 115 0.686 0.832 17.360 854 HB2 ASN 115 1HB ASN 115 0.572 2.840 19.074 855 HB3 ASN 115 2HB ASN 115 -1.136 2.825 18.644 856 HD21 ASN 115 1HD2 ASN 115 -2.349 0.912 19.036 857 HD22 ASN 115 2HD2 ASN 115 -1.858 -0.200 20.264 858 H SER 116 H SER 116 -0.613 -0.423 16.213 859 HA SER 116 HA SER 116 -2.958 0.766 14.906 860 HB2 SER 116 1HB SER 116 -1.070 -0.658 13.711 861 HB3 SER 116 2HB SER 116 -2.035 -2.012 14.299 862 HG SER 116 HG SER 116 -3.838 -1.063 13.225 863 H LYS 117 H LYS 117 -4.597 0.695 16.345 864 HA LYS 117 HA LYS 117 -5.106 -1.813 17.780 865 HB2 LYS 117 1HB LYS 117 -6.466 -0.563 19.282 866 HB3 LYS 117 2HB LYS 117 -4.999 0.374 19.030 867 HG2 LYS 117 1HG LYS 117 -6.191 1.792 17.424 868 HG3 LYS 117 2HG LYS 117 -7.664 0.864 17.716 869 HD2 LYS 117 1HD LYS 117 -7.920 1.700 19.859 870 HD3 LYS 117 2HD LYS 117 -6.211 2.114 20.012 871 HE2 LYS 117 1HE LYS 117 -6.550 3.891 18.310 872 HE3 LYS 117 2HE LYS 117 -8.273 3.520 18.318 873 HZ1 LYS 117 1HZ LYS 117 -8.236 4.014 20.746 874 HZ2 LYS 117 2HZ LYS 117 -7.928 5.351 19.757 875 HZ3 LYS 117 3HZ LYS 117 -6.653 4.584 20.562 876 H SER 118 H SER 118 -6.680 -3.137 17.160 877 HA SER 118 HA SER 118 -8.256 -2.580 14.858 878 HB2 SER 118 1HB SER 118 -7.412 -4.868 15.853 879 HB3 SER 118 2HB SER 118 -8.939 -4.813 16.732 880 HG SER 118 HG SER 118 -10.040 -4.920 14.859 881 H GLY 119 H GLY 119 -8.987 -2.822 18.323 882 HA2 GLY 119 1HA GLY 119 -10.630 -1.680 19.508 883 HA3 GLY 119 2HA GLY 119 -11.222 -1.016 17.993 884 HA PRO 120 HA PRO 120 -14.398 -4.019 19.414 885 HB2 PRO 120 1HB PRO 120 -16.499 -2.516 18.579 886 HB3 PRO 120 2HB PRO 120 -15.720 -2.289 20.149 887 HG2 PRO 120 1HG PRO 120 -15.345 -0.750 17.609 888 HG3 PRO 120 2HG PRO 120 -15.492 -0.148 19.271 889 HD2 PRO 120 1HD PRO 120 -13.106 -0.390 18.015 890 HD3 PRO 120 2HD PRO 120 -13.289 -0.610 19.767 891 H SER 121 H SER 121 -13.993 -2.273 16.381 892 HA SER 121 HA SER 121 -15.694 -3.378 14.637 893 HB2 SER 121 1HB SER 121 -13.548 -1.911 14.246 894 HB3 SER 121 2HB SER 121 -12.801 -3.462 13.859 895 HG SER 121 HG SER 121 -14.339 -3.755 12.243 896 H SER 122 H SER 122 -16.127 -5.296 13.678 897 HA SER 122 HA SER 122 -15.083 -7.669 14.903 898 HB2 SER 122 1HB SER 122 -16.625 -8.854 13.367 899 HB3 SER 122 2HB SER 122 -17.433 -7.560 14.251 900 HG SER 122 HG SER 122 -16.341 -6.784 11.850 901 H GLY 123 H GLY 123 -13.062 -8.267 14.409 902 HA2 GLY 123 1HA GLY 123 -11.594 -9.448 12.980 903 HA3 GLY 123 2HA GLY 123 -12.462 -8.803 11.595 Start of MODEL 15 1 H1 GLY 1 H GLY 1 7.388 -8.697 -12.939 2 HA2 GLY 1 1HA GLY 1 8.708 -9.656 -14.656 3 HA3 GLY 1 2HA GLY 1 7.748 -8.788 -15.845 4 H SER 2 H SER 2 10.614 -8.922 -15.706 5 HA SER 2 HA SER 2 11.296 -6.147 -15.001 6 HB2 SER 2 1HB SER 2 12.591 -8.059 -13.937 7 HB3 SER 2 2HB SER 2 13.252 -8.385 -15.539 8 HG SER 2 HG SER 2 14.433 -6.898 -14.009 9 H SER 3 H SER 3 12.126 -8.620 -17.435 10 HA SER 3 HA SER 3 13.388 -7.089 -19.302 11 HB2 SER 3 1HB SER 3 13.008 -9.547 -19.474 12 HB3 SER 3 2HB SER 3 11.342 -9.224 -19.953 13 HG SER 3 HG SER 3 12.736 -7.760 -21.550 14 H GLY 4 H GLY 4 12.889 -5.441 -20.601 15 HA2 GLY 4 1HA GLY 4 11.022 -4.728 -22.212 16 HA3 GLY 4 2HA GLY 4 10.060 -4.630 -20.745 17 H SER 5 H SER 5 12.889 -3.307 -22.392 18 HA SER 5 HA SER 5 13.498 -1.255 -20.603 19 HB2 SER 5 1HB SER 5 13.903 -1.589 -23.563 20 HB3 SER 5 2HB SER 5 14.367 -0.090 -22.758 21 HG SER 5 HG SER 5 15.277 -2.147 -21.328 22 H SER 6 H SER 6 11.393 -1.182 -23.472 23 HA SER 6 HA SER 6 10.540 1.509 -22.978 24 HB2 SER 6 1HB SER 6 9.673 -0.642 -24.900 25 HB3 SER 6 2HB SER 6 8.793 0.881 -24.770 26 HG SER 6 HG SER 6 11.559 1.032 -25.044 27 H GLY 7 H GLY 7 8.767 2.236 -21.931 28 HA2 GLY 7 1HA GLY 7 6.346 1.211 -21.464 29 HA3 GLY 7 2HA GLY 7 7.313 0.312 -20.304 30 HA PRO 8 HA PRO 8 5.822 4.180 -18.239 31 HB2 PRO 8 1HB PRO 8 5.067 2.940 -15.945 32 HB3 PRO 8 2HB PRO 8 4.007 3.086 -17.351 33 HG2 PRO 8 1HG PRO 8 5.674 0.762 -16.469 34 HG3 PRO 8 2HG PRO 8 4.011 0.776 -17.085 35 HD2 PRO 8 1HD PRO 8 6.131 0.112 -18.632 36 HD3 PRO 8 2HD PRO 8 4.692 0.923 -19.282 37 H GLY 9 H GLY 9 6.478 4.985 -16.011 38 HA2 GLY 9 1HA GLY 9 9.130 3.910 -15.278 39 HA3 GLY 9 2HA GLY 9 8.843 5.636 -15.442 40 H ALA 10 H ALA 10 9.865 4.507 -13.112 41 HA ALA 10 HA ALA 10 7.862 3.995 -11.168 42 HB1 ALA 10 1HB ALA 10 9.724 4.426 -9.536 43 HB2 ALA 10 2HB ALA 10 10.052 3.184 -10.745 44 HB3 ALA 10 3HB ALA 10 10.754 4.792 -10.921 45 HA PRO 11 HA PRO 11 6.434 8.075 -10.312 46 HB2 PRO 11 1HB PRO 11 5.449 7.653 -7.818 47 HB3 PRO 11 2HB PRO 11 4.647 7.066 -9.280 48 HG2 PRO 11 1HG PRO 11 6.416 5.591 -7.368 49 HG3 PRO 11 2HG PRO 11 4.902 5.063 -8.125 50 HD2 PRO 11 1HD PRO 11 7.333 4.287 -9.032 51 HD3 PRO 11 2HD PRO 11 5.940 4.513 -10.109 52 H SER 12 H SER 12 6.834 9.894 -8.953 53 HA SER 12 HA SER 12 9.089 9.614 -7.091 54 HB2 SER 12 1HB SER 12 10.072 11.703 -7.994 55 HB3 SER 12 2HB SER 12 10.022 10.416 -9.199 56 HG SER 12 HG SER 12 7.826 12.118 -9.083 57 H THR 13 H THR 13 9.367 11.613 -5.731 58 HA THR 13 HA THR 13 8.542 13.061 -4.181 59 HB THR 13 HB THR 13 6.295 13.642 -6.110 60 HG1 THR 13 1HG THR 13 8.192 13.865 -7.283 61 HG21 THR 13 1HG2 THR 13 6.565 14.579 -3.641 62 HG22 THR 13 2HG2 THR 13 5.979 15.594 -4.959 63 HG23 THR 13 3HG2 THR 13 7.664 15.695 -4.450 64 H VAL 14 H VAL 14 7.933 10.561 -3.552 65 HA VAL 14 HA VAL 14 5.061 10.378 -3.038 66 HB VAL 14 HB VAL 14 7.282 8.384 -2.575 67 HG11 VAL 14 1HG1 VAL 14 4.405 8.381 -1.815 68 HG12 VAL 14 2HG1 VAL 14 5.143 6.866 -2.338 69 HG13 VAL 14 3HG1 VAL 14 5.801 7.737 -0.953 70 HG21 VAL 14 1HG2 VAL 14 6.143 9.069 -4.933 71 HG22 VAL 14 2HG2 VAL 14 6.793 7.470 -4.574 72 HG23 VAL 14 3HG2 VAL 14 5.064 7.777 -4.407 73 H ARG 15 H ARG 15 4.333 11.329 -1.258 74 HA ARG 15 HA ARG 15 5.969 11.159 1.188 75 HB2 ARG 15 1HB ARG 15 4.921 13.314 1.878 76 HB3 ARG 15 2HB ARG 15 5.954 13.451 0.461 77 HG2 ARG 15 1HG ARG 15 4.126 13.689 -0.987 78 HG3 ARG 15 2HG ARG 15 2.984 13.110 0.228 79 HD2 ARG 15 1HD ARG 15 3.603 15.142 1.594 80 HD3 ARG 15 2HD ARG 15 4.456 15.734 0.170 81 HE ARG 15 HE ARG 15 1.842 15.063 -0.573 82 HH11 ARG 15 2HH1 ARG 15 3.536 17.398 1.375 83 HH12 ARG 15 1HH1 ARG 15 2.341 18.634 1.166 84 HH21 ARG 15 2HH2 ARG 15 0.261 16.682 -0.856 85 HH22 ARG 15 1HH2 ARG 15 0.477 18.226 -0.103 86 H ILE 16 H ILE 16 4.947 10.615 3.080 87 HA ILE 16 HA ILE 16 2.105 9.865 2.845 88 HB ILE 16 HB ILE 16 4.171 8.532 4.597 89 HG12 ILE 16 1HG1 ILE 16 2.919 7.525 2.033 90 HG13 ILE 16 2HG1 ILE 16 4.559 8.150 2.169 91 HG21 ILE 16 1HG2 ILE 16 1.567 7.290 3.905 92 HG22 ILE 16 2HG2 ILE 16 2.533 7.153 5.373 93 HG23 ILE 16 3HG2 ILE 16 1.567 8.600 5.085 94 HD11 ILE 16 1HD1 ILE 16 3.486 5.727 3.594 95 HD12 ILE 16 2HD1 ILE 16 4.512 5.716 2.159 96 HD13 ILE 16 3HD1 ILE 16 5.136 6.343 3.685 97 H SER 17 H SER 17 0.720 10.603 4.349 98 HA SER 17 HA SER 17 1.752 11.713 6.847 99 HB2 SER 17 1HB SER 17 0.240 13.256 4.751 100 HB3 SER 17 2HB SER 17 0.161 13.716 6.452 101 HG SER 17 HG SER 17 2.482 13.832 6.395 102 H LYS 18 H LYS 18 0.431 11.386 8.549 103 HA LYS 18 HA LYS 18 -1.793 9.642 8.259 104 HB2 LYS 18 1HB LYS 18 -0.267 9.735 10.249 105 HB3 LYS 18 2HB LYS 18 -1.024 11.259 10.694 106 HG2 LYS 18 1HG LYS 18 -2.249 9.852 11.982 107 HG3 LYS 18 2HG LYS 18 -3.224 9.800 10.511 108 HD2 LYS 18 1HD LYS 18 -3.010 7.558 10.956 109 HD3 LYS 18 2HD LYS 18 -1.618 7.811 9.901 110 HE2 LYS 18 1HE LYS 18 -0.721 6.602 11.668 111 HE3 LYS 18 2HE LYS 18 -0.331 8.269 12.092 112 HZ1 LYS 18 1HZ LYS 18 -1.168 7.275 14.032 113 HZ2 LYS 18 2HZ LYS 18 -2.466 6.556 13.221 114 HZ3 LYS 18 3HZ LYS 18 -2.435 8.232 13.448 115 H ASN 19 H ASN 19 -3.867 10.095 7.914 116 HA ASN 19 HA ASN 19 -4.770 12.871 8.313 117 HB2 ASN 19 1HB ASN 19 -4.701 12.236 5.940 118 HB3 ASN 19 2HB ASN 19 -5.745 10.857 6.275 119 HD21 ASN 19 1HD2 ASN 19 -7.700 11.217 5.542 120 HD22 ASN 19 2HD2 ASN 19 -8.572 12.705 5.643 121 H VAL 20 H VAL 20 -7.201 13.022 8.604 122 HA VAL 20 HA VAL 20 -7.991 11.778 10.940 123 HB VAL 20 HB VAL 20 -10.282 12.507 10.424 124 HG11 VAL 20 1HG1 VAL 20 -9.520 14.444 11.200 125 HG12 VAL 20 2HG1 VAL 20 -7.937 14.168 10.470 126 HG13 VAL 20 3HG1 VAL 20 -9.219 14.939 9.535 127 HG21 VAL 20 1HG2 VAL 20 -10.482 13.848 8.215 128 HG22 VAL 20 2HG2 VAL 20 -9.126 12.853 7.684 129 HG23 VAL 20 3HG2 VAL 20 -10.641 12.092 8.170 130 H ASP 21 H ASP 21 -8.556 10.793 7.602 131 HA ASP 21 HA ASP 21 -10.181 8.534 8.398 132 HB2 ASP 21 1HB ASP 21 -9.291 9.715 5.803 133 HB3 ASP 21 2HB ASP 21 -9.802 8.029 5.826 134 H GLY 22 H GLY 22 -7.370 8.757 9.317 135 HA2 GLY 22 1HA GLY 22 -6.052 6.853 9.919 136 HA3 GLY 22 2HA GLY 22 -6.513 6.097 8.401 137 H ILE 23 H ILE 23 -5.198 6.291 6.680 138 HA ILE 23 HA ILE 23 -2.907 8.128 6.941 139 HB ILE 23 HB ILE 23 -2.976 5.397 5.655 140 HG12 ILE 23 1HG1 ILE 23 -1.387 6.415 8.020 141 HG13 ILE 23 2HG1 ILE 23 -2.854 5.450 8.145 142 HG21 ILE 23 1HG2 ILE 23 -1.584 6.812 4.321 143 HG22 ILE 23 2HG2 ILE 23 -0.791 7.468 5.752 144 HG23 ILE 23 3HG2 ILE 23 -0.537 5.783 5.298 145 HD11 ILE 23 1HD1 ILE 23 -1.339 3.788 8.325 146 HD12 ILE 23 2HD1 ILE 23 -1.437 3.843 6.565 147 HD13 ILE 23 3HD1 ILE 23 -0.112 4.653 7.400 148 H HIS 24 H HIS 24 -2.210 9.228 5.117 149 HA HIS 24 HA HIS 24 -4.006 9.087 2.784 150 HB2 HIS 24 1HB HIS 24 -4.013 11.188 4.372 151 HB3 HIS 24 2HB HIS 24 -2.552 11.608 3.483 152 HD1 HIS 24 1HD HIS 24 -3.073 11.285 0.676 153 HD2 HIS 24 2HD HIS 24 -6.147 12.379 3.248 154 HE1 HIS 24 1HE HIS 24 -4.819 12.359 -0.781 155 HE2 HIS 24 2HE HIS 24 -6.631 13.089 0.809 156 H LEU 25 H LEU 25 -2.778 7.838 1.448 157 HA LEU 25 HA LEU 25 0.042 8.403 1.081 158 HB2 LEU 25 1HB LEU 25 -1.256 6.102 1.029 159 HB3 LEU 25 2HB LEU 25 -1.455 6.521 -0.672 160 HG LEU 25 HG LEU 25 1.181 6.862 -0.484 161 HD11 LEU 25 1HD1 LEU 25 1.316 6.338 1.879 162 HD12 LEU 25 2HD1 LEU 25 2.147 5.104 0.931 163 HD13 LEU 25 3HD1 LEU 25 0.547 4.775 1.598 164 HD21 LEU 25 1HD2 LEU 25 -0.122 4.157 -0.764 165 HD22 LEU 25 2HD2 LEU 25 1.437 4.654 -1.424 166 HD23 LEU 25 3HD2 LEU 25 -0.051 5.381 -2.032 167 H SER 26 H SER 26 0.740 9.895 -0.282 168 HA SER 26 HA SER 26 -0.745 10.345 -2.779 169 HB2 SER 26 1HB SER 26 -0.200 12.802 -2.533 170 HB3 SER 26 2HB SER 26 -1.392 12.187 -1.389 171 HG SER 26 HG SER 26 -0.043 12.517 0.208 172 H TRP 27 H TRP 27 0.485 10.544 -4.569 173 HA TRP 27 HA TRP 27 3.348 11.051 -4.304 174 HB2 TRP 27 1HB TRP 27 3.947 9.110 -5.665 175 HB3 TRP 27 2HB TRP 27 3.115 8.603 -4.197 176 HD1 TRP 27 HD TRP 27 2.779 8.603 -7.978 177 HE1 TRP 27 1HE TRP 27 0.754 7.160 -8.642 178 HE3 TRP 27 3HE TRP 27 0.767 7.845 -3.340 179 HZ2 TRP 27 2HZ TRP 27 -1.411 5.872 -7.368 180 HZ3 TRP 27 3HZ TRP 27 -1.282 6.496 -3.149 181 HH2 TRP 27 HH TRP 27 -2.347 5.532 -5.123 182 H GLU 28 H GLU 28 4.336 11.012 -6.651 183 HA GLU 28 HA GLU 28 2.442 12.389 -8.441 184 HB2 GLU 28 1HB GLU 28 5.355 13.036 -7.956 185 HB3 GLU 28 2HB GLU 28 4.358 13.783 -9.196 186 HG2 GLU 28 1HG GLU 28 3.994 13.978 -6.217 187 HG3 GLU 28 2HG GLU 28 4.512 15.256 -7.316 188 HA PRO 29 HA PRO 29 3.582 9.571 -11.608 189 HB2 PRO 29 1HB PRO 29 3.315 11.136 -13.810 190 HB3 PRO 29 2HB PRO 29 1.934 10.535 -12.886 191 HG2 PRO 29 1HG PRO 29 3.250 13.222 -12.792 192 HG3 PRO 29 2HG PRO 29 1.522 12.821 -12.788 193 HD2 PRO 29 1HD PRO 29 2.875 13.462 -10.531 194 HD3 PRO 29 2HD PRO 29 1.516 12.320 -10.538 195 HA PRO 30 HA PRO 30 7.806 10.010 -12.751 196 HB2 PRO 30 1HB PRO 30 7.881 8.739 -15.148 197 HB3 PRO 30 2HB PRO 30 7.689 7.884 -13.613 198 HG2 PRO 30 1HG PRO 30 5.608 8.670 -15.617 199 HG3 PRO 30 2HG PRO 30 5.787 7.145 -14.729 200 HD2 PRO 30 1HD PRO 30 4.018 9.059 -13.995 201 HD3 PRO 30 2HD PRO 30 4.820 7.998 -12.819 202 H THR 31 H THR 31 9.292 10.946 -14.307 203 HA THR 31 HA THR 31 8.100 13.232 -15.669 204 HB THR 31 HB THR 31 9.969 13.746 -14.230 205 HG1 THR 31 1HG THR 31 11.490 14.446 -16.086 206 HG21 THR 31 1HG2 THR 31 11.315 11.901 -13.998 207 HG22 THR 31 2HG2 THR 31 12.277 12.840 -15.139 208 HG23 THR 31 3HG2 THR 31 11.268 11.515 -15.717 209 H SER 32 H SER 32 9.240 10.136 -16.412 210 HA SER 32 HA SER 32 10.461 10.462 -18.892 211 HB2 SER 32 1HB SER 32 9.619 8.118 -19.350 212 HB3 SER 32 2HB SER 32 10.524 8.311 -17.848 213 HG SER 32 HG SER 32 7.693 8.389 -18.020 214 HA PRO 33 HA PRO 33 7.325 11.706 -21.698 215 HB2 PRO 33 1HB PRO 33 8.078 10.396 -23.954 216 HB3 PRO 33 2HB PRO 33 8.961 11.785 -23.309 217 HG2 PRO 33 1HG PRO 33 9.558 8.864 -23.031 218 HG3 PRO 33 2HG PRO 33 10.669 10.206 -23.362 219 HD2 PRO 33 1HD PRO 33 10.397 9.113 -20.900 220 HD3 PRO 33 2HD PRO 33 10.774 10.831 -21.146 221 H SER 34 H SER 34 7.519 8.584 -20.544 222 HA SER 34 HA SER 34 5.817 7.115 -22.194 223 HB2 SER 34 1HB SER 34 6.066 6.909 -19.183 224 HB3 SER 34 2HB SER 34 5.456 5.659 -20.268 225 HG SER 34 HG SER 34 7.776 5.599 -19.554 226 H GLY 35 H GLY 35 4.202 8.636 -22.864 227 HA2 GLY 35 1HA GLY 35 2.342 9.676 -20.911 228 HA3 GLY 35 2HA GLY 35 2.236 9.856 -22.656 229 H ASN 36 H ASN 36 0.067 9.334 -22.785 230 HA ASN 36 HA ASN 36 -1.778 8.009 -22.930 231 HB2 ASN 36 1HB ASN 36 0.500 6.165 -23.472 232 HB3 ASN 36 2HB ASN 36 -1.091 5.451 -23.225 233 HD21 ASN 36 1HD2 ASN 36 0.903 7.360 -25.292 234 HD22 ASN 36 2HD2 ASN 36 -0.188 7.434 -26.630 235 H ILE 37 H ILE 37 -0.532 8.518 -20.273 236 HA ILE 37 HA ILE 37 -0.656 6.324 -18.575 237 HB ILE 37 HB ILE 37 -1.448 9.164 -17.919 238 HG12 ILE 37 1HG1 ILE 37 0.755 9.265 -18.767 239 HG13 ILE 37 2HG1 ILE 37 0.947 9.207 -17.019 240 HG21 ILE 37 1HG2 ILE 37 -2.109 7.330 -16.299 241 HG22 ILE 37 2HG2 ILE 37 -0.385 7.079 -16.034 242 HG23 ILE 37 3HG2 ILE 37 -1.119 8.635 -15.645 243 HD11 ILE 37 1HD1 ILE 37 1.271 6.707 -17.293 244 HD12 ILE 37 2HD1 ILE 37 1.431 7.030 -19.020 245 HD13 ILE 37 3HD1 ILE 37 2.564 7.753 -17.879 246 H LEU 38 H LEU 38 -2.352 4.943 -18.956 247 HA LEU 38 HA LEU 38 -5.046 5.746 -19.251 248 HB2 LEU 38 1HB LEU 38 -3.993 3.082 -18.314 249 HB3 LEU 38 2HB LEU 38 -5.594 3.404 -18.976 250 HG LEU 38 HG LEU 38 -3.068 3.793 -20.566 251 HD11 LEU 38 1HD1 LEU 38 -3.856 1.367 -19.604 252 HD12 LEU 38 2HD1 LEU 38 -2.946 1.622 -21.093 253 HD13 LEU 38 3HD1 LEU 38 -4.699 1.437 -21.153 254 HD21 LEU 38 1HD2 LEU 38 -5.868 4.272 -21.008 255 HD22 LEU 38 2HD2 LEU 38 -5.254 3.092 -22.166 256 HD23 LEU 38 3HD2 LEU 38 -4.487 4.675 -22.029 257 H GLU 39 H GLU 39 -3.642 3.902 -16.538 258 HA GLU 39 HA GLU 39 -4.891 5.636 -14.602 259 HB2 GLU 39 1HB GLU 39 -5.839 2.790 -14.960 260 HB3 GLU 39 2HB GLU 39 -6.169 3.761 -13.532 261 HG2 GLU 39 1HG GLU 39 -8.094 4.016 -14.765 262 HG3 GLU 39 2HG GLU 39 -7.174 5.455 -15.201 263 H TYR 40 H TYR 40 -4.409 4.932 -12.355 264 HA TYR 40 HA TYR 40 -1.822 3.529 -12.280 265 HB2 TYR 40 1HB TYR 40 -2.959 5.693 -10.508 266 HB3 TYR 40 2HB TYR 40 -1.503 4.789 -10.107 267 HD1 TYR 40 1HD TYR 40 0.274 4.724 -12.122 268 HD2 TYR 40 2HD TYR 40 -2.673 7.735 -11.532 269 HE1 TYR 40 1HE TYR 40 1.621 6.294 -13.452 270 HE2 TYR 40 2HE TYR 40 -1.335 9.313 -12.861 271 HH TYR 40 HH TYR 40 1.689 8.305 -14.414 272 H SER 41 H SER 41 -1.361 2.490 -10.102 273 HA SER 41 HA SER 41 -3.712 1.451 -8.740 274 HB2 SER 41 1HB SER 41 -3.248 -0.071 -10.704 275 HB3 SER 41 2HB SER 41 -1.702 -0.459 -9.949 276 HG SER 41 HG SER 41 -3.841 -1.733 -9.516 277 H ALA 42 H ALA 42 -3.333 1.386 -6.630 278 HA ALA 42 HA ALA 42 -0.541 1.423 -5.708 279 HB1 ALA 42 1HB ALA 42 -3.072 2.568 -4.616 280 HB2 ALA 42 2HB ALA 42 -1.740 2.194 -3.521 281 HB3 ALA 42 3HB ALA 42 -1.498 3.332 -4.847 282 H TYR 43 H TYR 43 0.243 -0.135 -4.405 283 HA TYR 43 HA TYR 43 -1.643 -2.179 -3.430 284 HB2 TYR 43 1HB TYR 43 1.179 -2.717 -4.364 285 HB3 TYR 43 2HB TYR 43 -0.041 -3.904 -3.918 286 HD1 TYR 43 2HD TYR 43 0.497 -1.122 -6.353 287 HD2 TYR 43 1HD TYR 43 -1.251 -4.928 -5.602 288 HE1 TYR 43 2HE TYR 43 -0.232 -1.243 -8.699 289 HE2 TYR 43 1HE TYR 43 -1.984 -5.060 -7.946 290 HH TYR 43 HH TYR 43 -1.851 -4.124 -9.972 291 H LEU 44 H LEU 44 -1.017 -3.298 -1.501 292 HA LEU 44 HA LEU 44 1.009 -1.899 0.111 293 HB2 LEU 44 1HB LEU 44 -0.978 -1.051 0.982 294 HB3 LEU 44 2HB LEU 44 -1.821 -2.588 0.803 295 HG LEU 44 HG LEU 44 -0.176 -3.416 2.633 296 HD11 LEU 44 1HD1 LEU 44 1.356 -1.775 3.012 297 HD12 LEU 44 2HD1 LEU 44 0.143 -1.315 4.206 298 HD13 LEU 44 3HD1 LEU 44 0.220 -0.473 2.658 299 HD21 LEU 44 1HD2 LEU 44 -2.675 -3.003 2.782 300 HD22 LEU 44 2HD2 LEU 44 -2.273 -1.435 3.484 301 HD23 LEU 44 3HD2 LEU 44 -1.771 -2.920 4.295 302 H ALA 45 H ALA 45 2.453 -3.196 1.040 303 HA ALA 45 HA ALA 45 2.569 -5.942 0.548 304 HB1 ALA 45 1HB ALA 45 4.588 -5.865 1.547 305 HB2 ALA 45 2HB ALA 45 4.333 -4.121 1.455 306 HB3 ALA 45 3HB ALA 45 3.981 -4.987 2.951 307 H ILE 46 H ILE 46 1.774 -7.691 1.548 308 HA ILE 46 HA ILE 46 0.517 -7.334 4.188 309 HB ILE 46 HB ILE 46 -1.254 -8.891 3.547 310 HG12 ILE 46 1HG1 ILE 46 -0.210 -8.709 0.720 311 HG13 ILE 46 2HG1 ILE 46 0.169 -10.052 1.792 312 HG21 ILE 46 1HG2 ILE 46 -0.833 -6.339 2.102 313 HG22 ILE 46 2HG2 ILE 46 -2.177 -7.355 1.582 314 HG23 ILE 46 3HG2 ILE 46 -2.088 -6.797 3.253 315 HD11 ILE 46 1HD1 ILE 46 -2.321 -10.392 2.026 316 HD12 ILE 46 2HD1 ILE 46 -2.503 -9.257 0.688 317 HD13 ILE 46 3HD1 ILE 46 -1.620 -10.765 0.451 318 H ARG 47 H ARG 47 0.024 -9.578 5.179 319 HA ARG 47 HA ARG 47 2.446 -10.885 5.652 320 HB2 ARG 47 1HB ARG 47 0.143 -10.859 6.958 321 HB3 ARG 47 2HB ARG 47 -0.124 -12.347 6.060 322 HG2 ARG 47 1HG ARG 47 1.623 -13.449 7.113 323 HG3 ARG 47 2HG ARG 47 2.395 -11.944 7.618 324 HD2 ARG 47 1HD ARG 47 -0.332 -12.543 8.641 325 HD3 ARG 47 2HD ARG 47 1.025 -13.446 9.311 326 HE ARG 47 HE ARG 47 0.441 -10.639 9.685 327 HH11 ARG 47 2HH1 ARG 47 2.815 -13.175 9.910 328 HH12 ARG 47 1HH1 ARG 47 3.792 -12.336 11.069 329 HH21 ARG 47 2HH2 ARG 47 1.720 -9.524 11.210 330 HH22 ARG 47 1HH2 ARG 47 3.168 -10.259 11.808 331 H THR 48 H THR 48 2.708 -13.330 5.382 332 HA THR 48 HA THR 48 1.544 -14.540 3.060 333 HB THR 48 HB THR 48 3.101 -13.113 1.882 334 HG1 THR 48 1HG THR 48 4.276 -15.701 1.987 335 HG21 THR 48 1HG2 THR 48 5.341 -12.846 2.384 336 HG22 THR 48 2HG2 THR 48 5.441 -14.384 3.241 337 HG23 THR 48 3HG2 THR 48 4.640 -13.005 3.994 338 H ALA 49 H ALA 49 1.670 -16.710 3.189 339 HA ALA 49 HA ALA 49 2.631 -17.950 5.519 340 HB1 ALA 49 1HB ALA 49 0.953 -18.676 3.496 341 HB2 ALA 49 2HB ALA 49 2.350 -19.712 3.199 342 HB3 ALA 49 3HB ALA 49 1.538 -19.753 4.764 343 H GLN 50 H GLN 50 4.120 -19.961 5.336 344 HA GLN 50 HA GLN 50 6.357 -20.499 5.360 345 HB2 GLN 50 1HB GLN 50 7.212 -20.982 3.095 346 HB3 GLN 50 2HB GLN 50 5.575 -21.578 3.333 347 HG2 GLN 50 1HG GLN 50 4.715 -19.591 2.154 348 HG3 GLN 50 2HG GLN 50 6.376 -19.083 1.854 349 HE21 GLN 50 1HE2 GLN 50 3.826 -21.202 0.949 350 HE22 GLN 50 2HE2 GLN 50 4.609 -21.920 -0.414 351 H MET 51 H MET 51 6.334 -18.012 6.224 352 HA MET 51 HA MET 51 8.236 -16.496 4.575 353 HB2 MET 51 1HB MET 51 6.146 -15.343 5.265 354 HB3 MET 51 2HB MET 51 6.616 -15.553 6.947 355 HG2 MET 51 1HG MET 51 8.356 -14.109 4.979 356 HG3 MET 51 2HG MET 51 7.070 -13.298 5.870 357 HE1 MET 51 1HE MET 51 7.705 -12.928 9.114 358 HE2 MET 51 2HE MET 51 8.782 -11.775 8.325 359 HE3 MET 51 3HE MET 51 7.246 -12.206 7.572 360 H GLN 52 H GLN 52 10.277 -16.980 5.072 361 HA GLN 52 HA GLN 52 11.001 -17.689 7.799 362 HB2 GLN 52 1HB GLN 52 12.526 -17.709 5.197 363 HB3 GLN 52 2HB GLN 52 13.279 -18.065 6.746 364 HG2 GLN 52 1HG GLN 52 12.782 -20.153 5.865 365 HG3 GLN 52 2HG GLN 52 11.475 -19.852 7.009 366 HE21 GLN 52 1HE2 GLN 52 9.724 -20.772 6.208 367 HE22 GLN 52 2HE2 GLN 52 9.138 -20.599 4.593 368 H ASP 53 H ASP 53 12.783 -16.672 8.899 369 HA ASP 53 HA ASP 53 12.599 -13.959 9.202 370 HB2 ASP 53 1HB ASP 53 15.217 -15.409 9.565 371 HB3 ASP 53 2HB ASP 53 14.589 -14.045 10.486 372 H ASN 54 H ASN 54 15.171 -15.620 7.366 373 HA ASN 54 HA ASN 54 16.574 -13.527 6.378 374 HB2 ASN 54 1HB ASN 54 15.812 -15.646 4.414 375 HB3 ASN 54 2HB ASN 54 17.393 -14.948 4.752 376 HD21 ASN 54 1HD2 ASN 54 14.926 -17.128 5.979 377 HD22 ASN 54 2HD2 ASN 54 15.994 -18.094 6.935 378 HA PRO 55 HA PRO 55 13.982 -11.027 3.864 379 HB2 PRO 55 1HB PRO 55 15.786 -10.094 2.061 380 HB3 PRO 55 2HB PRO 55 15.741 -9.553 3.744 381 HG2 PRO 55 1HG PRO 55 17.524 -11.583 2.454 382 HG3 PRO 55 2HG PRO 55 17.936 -10.312 3.620 383 HD2 PRO 55 1HD PRO 55 17.596 -12.900 4.343 384 HD3 PRO 55 2HD PRO 55 17.189 -11.547 5.418 385 H SER 56 H SER 56 12.559 -11.552 2.336 386 HA SER 56 HA SER 56 13.465 -12.924 -0.082 387 HB2 SER 56 1HB SER 56 12.604 -14.584 1.691 388 HB3 SER 56 2HB SER 56 11.009 -13.906 1.363 389 HG SER 56 HG SER 56 11.003 -15.328 -0.190 390 H GLN 57 H GLN 57 11.341 -13.238 -1.530 391 HA GLN 57 HA GLN 57 10.550 -10.677 -2.313 392 HB2 GLN 57 1HB GLN 57 10.522 -12.853 -3.663 393 HB3 GLN 57 2HB GLN 57 8.965 -13.167 -2.907 394 HG2 GLN 57 1HG GLN 57 7.911 -11.489 -4.049 395 HG3 GLN 57 2HG GLN 57 9.392 -10.557 -4.264 396 HE21 GLN 57 1HE2 GLN 57 8.497 -10.412 -6.474 397 HE22 GLN 57 2HE2 GLN 57 8.900 -11.662 -7.596 398 H LEU 58 H LEU 58 8.660 -9.505 -2.067 399 HA LEU 58 HA LEU 58 6.765 -10.483 -0.040 400 HB2 LEU 58 1HB LEU 58 8.321 -7.962 -0.112 401 HB3 LEU 58 2HB LEU 58 6.648 -7.859 0.433 402 HG LEU 58 HG LEU 58 8.641 -9.748 1.664 403 HD11 LEU 58 1HD1 LEU 58 8.596 -6.897 1.831 404 HD12 LEU 58 2HD1 LEU 58 9.666 -8.043 2.637 405 HD13 LEU 58 3HD1 LEU 58 8.139 -7.583 3.390 406 HD21 LEU 58 1HD2 LEU 58 7.067 -9.705 3.533 407 HD22 LEU 58 2HD2 LEU 58 6.288 -10.256 2.050 408 HD23 LEU 58 3HD2 LEU 58 6.019 -8.611 2.629 409 H VAL 59 H VAL 59 4.971 -10.848 -1.190 410 HA VAL 59 HA VAL 59 4.242 -9.273 -3.474 411 HB VAL 59 HB VAL 59 2.322 -10.678 -3.673 412 HG11 VAL 59 1HG1 VAL 59 3.318 -12.860 -3.775 413 HG12 VAL 59 2HG1 VAL 59 4.544 -11.666 -4.207 414 HG13 VAL 59 3HG1 VAL 59 4.553 -12.401 -2.603 415 HG21 VAL 59 1HG2 VAL 59 1.535 -12.163 -1.971 416 HG22 VAL 59 2HG2 VAL 59 2.915 -11.795 -0.936 417 HG23 VAL 59 3HG2 VAL 59 1.697 -10.560 -1.255 418 H PHE 60 H PHE 60 2.478 -7.884 -3.695 419 HA PHE 60 HA PHE 60 1.452 -6.793 -1.157 420 HB2 PHE 60 1HB PHE 60 2.048 -5.418 -3.780 421 HB3 PHE 60 2HB PHE 60 1.133 -4.659 -2.481 422 HD1 PHE 60 1HD PHE 60 4.270 -6.678 -2.653 423 HD2 PHE 60 2HD PHE 60 2.367 -3.100 -1.353 424 HE1 PHE 60 1HE PHE 60 6.373 -5.943 -1.609 425 HE2 PHE 60 2HE PHE 60 4.467 -2.359 -0.307 426 HZ PHE 60 HZ PHE 60 6.474 -3.780 -0.435 427 H MET 61 H MET 61 -0.689 -5.616 -1.451 428 HA MET 61 HA MET 61 -2.417 -7.113 -3.308 429 HB2 MET 61 1HB MET 61 -4.076 -7.386 -1.667 430 HB3 MET 61 2HB MET 61 -2.572 -7.762 -0.835 431 HG2 MET 61 1HG MET 61 -2.552 -5.623 0.232 432 HG3 MET 61 2HG MET 61 -3.930 -5.083 -0.724 433 HE1 MET 61 1HE MET 61 -6.046 -4.905 1.932 434 HE2 MET 61 2HE MET 61 -4.600 -5.116 2.919 435 HE3 MET 61 3HE MET 61 -4.512 -4.209 1.408 436 H ARG 62 H ARG 62 -3.934 -5.969 -4.413 437 HA ARG 62 HA ARG 62 -3.597 -3.181 -4.685 438 HB2 ARG 62 1HB ARG 62 -4.385 -4.434 -6.563 439 HB3 ARG 62 2HB ARG 62 -5.753 -5.057 -5.651 440 HG2 ARG 62 1HG ARG 62 -6.317 -2.478 -5.447 441 HG3 ARG 62 2HG ARG 62 -5.369 -2.415 -6.934 442 HD2 ARG 62 1HD ARG 62 -6.887 -3.662 -8.116 443 HD3 ARG 62 2HD ARG 62 -7.477 -4.499 -6.681 444 HE ARG 62 HE ARG 62 -8.099 -1.677 -6.808 445 HH11 ARG 62 2HH1 ARG 62 -9.135 -4.925 -7.514 446 HH12 ARG 62 1HH1 ARG 62 -10.816 -4.513 -7.582 447 HH21 ARG 62 2HH2 ARG 62 -10.310 -1.123 -6.896 448 HH22 ARG 62 1HH2 ARG 62 -11.483 -2.350 -7.231 449 H ILE 63 H ILE 63 -4.281 -1.625 -3.384 450 HA ILE 63 HA ILE 63 -6.639 -2.131 -1.694 451 HB ILE 63 HB ILE 63 -5.771 -0.336 -0.225 452 HG12 ILE 63 1HG1 ILE 63 -3.213 -0.516 -1.814 453 HG13 ILE 63 2HG1 ILE 63 -4.419 0.731 -2.112 454 HG21 ILE 63 1HG2 ILE 63 -4.294 -1.709 0.919 455 HG22 ILE 63 2HG2 ILE 63 -5.208 -2.854 -0.061 456 HG23 ILE 63 3HG2 ILE 63 -3.591 -2.358 -0.562 457 HD11 ILE 63 1HD1 ILE 63 -3.070 1.853 -0.682 458 HD12 ILE 63 2HD1 ILE 63 -4.140 1.091 0.495 459 HD13 ILE 63 3HD1 ILE 63 -2.556 0.392 0.160 460 H TYR 64 H TYR 64 -5.266 -0.065 -4.108 461 HA TYR 64 HA TYR 64 -7.811 1.301 -4.396 462 HB2 TYR 64 1HB TYR 64 -6.818 2.854 -2.914 463 HB3 TYR 64 2HB TYR 64 -5.247 2.721 -3.697 464 HD1 TYR 64 2HD TYR 64 -4.878 3.784 -5.910 465 HD2 TYR 64 1HD TYR 64 -8.477 4.369 -3.717 466 HE1 TYR 64 2HE TYR 64 -5.401 5.743 -7.302 467 HE2 TYR 64 1HE TYR 64 -9.010 6.329 -5.103 468 HH TYR 64 HH TYR 64 -7.926 7.935 -6.517 469 H CYS 65 H CYS 65 -8.268 1.750 -6.477 470 HA CYS 65 HA CYS 65 -6.079 1.588 -8.437 471 HB2 CYS 65 1HB CYS 65 -7.394 -0.516 -8.411 472 HB3 CYS 65 2HB CYS 65 -8.845 0.410 -8.777 473 HG CYS 65 HG CYS 65 -8.434 0.751 -11.337 474 H GLY 66 H GLY 66 -5.994 3.838 -8.622 475 HA2 GLY 66 1HA GLY 66 -8.065 4.953 -10.334 476 HA3 GLY 66 2HA GLY 66 -7.851 5.749 -8.782 477 H LEU 67 H LEU 67 -7.498 7.123 -11.147 478 HA LEU 67 HA LEU 67 -4.616 7.275 -11.594 479 HB2 LEU 67 1HB LEU 67 -5.289 8.944 -13.354 480 HB3 LEU 67 2HB LEU 67 -5.842 7.289 -13.603 481 HG LEU 67 HG LEU 67 -7.694 9.209 -12.281 482 HD11 LEU 67 1HD1 LEU 67 -8.498 9.769 -14.648 483 HD12 LEU 67 2HD1 LEU 67 -6.885 9.280 -15.167 484 HD13 LEU 67 3HD1 LEU 67 -7.079 10.618 -14.034 485 HD21 LEU 67 1HD2 LEU 67 -8.784 7.587 -14.372 486 HD22 LEU 67 2HD2 LEU 67 -9.127 7.555 -12.642 487 HD23 LEU 67 3HD2 LEU 67 -7.805 6.588 -13.297 488 H LYS 68 H LYS 68 -6.180 8.246 -9.152 489 HA LYS 68 HA LYS 68 -5.688 11.108 -9.215 490 HB2 LYS 68 1HB LYS 68 -7.696 10.119 -8.092 491 HB3 LYS 68 2HB LYS 68 -6.619 9.398 -6.904 492 HG2 LYS 68 1HG LYS 68 -6.203 11.378 -5.869 493 HG3 LYS 68 2HG LYS 68 -6.415 12.322 -7.345 494 HD2 LYS 68 1HD LYS 68 -8.249 12.836 -5.920 495 HD3 LYS 68 2HD LYS 68 -8.871 11.796 -7.203 496 HE2 LYS 68 1HE LYS 68 -9.798 11.041 -5.137 497 HE3 LYS 68 2HE LYS 68 -8.599 9.856 -5.653 498 HZ1 LYS 68 1HZ LYS 68 -8.673 11.434 -3.281 499 HZ2 LYS 68 2HZ LYS 68 -7.209 11.638 -4.104 500 HZ3 LYS 68 3HZ LYS 68 -7.713 10.089 -3.646 501 H THR 69 H THR 69 -3.711 8.592 -8.953 502 HA THR 69 HA THR 69 -1.771 8.090 -7.821 503 HB THR 69 HB THR 69 -0.169 10.009 -7.778 504 HG1 THR 69 1HG THR 69 -1.493 11.809 -9.146 505 HG21 THR 69 1HG2 THR 69 -1.777 9.559 -10.292 506 HG22 THR 69 2HG2 THR 69 -0.312 8.714 -9.789 507 HG23 THR 69 3HG2 THR 69 -0.236 10.414 -10.249 508 H SER 70 H SER 70 -4.089 8.875 -6.100 509 HA SER 70 HA SER 70 -2.627 9.053 -3.632 510 HB2 SER 70 1HB SER 70 -4.427 11.327 -4.489 511 HB3 SER 70 2HB SER 70 -3.904 11.068 -2.825 512 HG SER 70 HG SER 70 -2.100 11.995 -3.328 513 H CYS 71 H CYS 71 -3.731 8.146 -1.966 514 HA CYS 71 HA CYS 71 -6.601 7.858 -2.041 515 HB2 CYS 71 1HB CYS 71 -6.635 5.431 -2.020 516 HB3 CYS 71 2HB CYS 71 -5.831 5.994 -3.480 517 HG CYS 71 HG CYS 71 -3.318 5.687 -1.697 518 H THR 72 H THR 72 -7.421 6.731 -0.084 519 HA THR 72 HA THR 72 -5.605 7.210 2.186 520 HB THR 72 HB THR 72 -8.630 7.248 2.168 521 HG1 THR 72 1HG THR 72 -7.493 9.054 1.121 522 HG21 THR 72 1HG2 THR 72 -6.859 6.843 4.296 523 HG22 THR 72 2HG2 THR 72 -8.569 7.266 4.398 524 HG23 THR 72 3HG2 THR 72 -7.344 8.534 4.408 525 H VAL 73 H VAL 73 -5.199 5.617 3.617 526 HA VAL 73 HA VAL 73 -6.493 3.019 3.128 527 HB VAL 73 HB VAL 73 -3.833 3.581 4.447 528 HG11 VAL 73 1HG1 VAL 73 -4.233 0.885 3.525 529 HG12 VAL 73 2HG1 VAL 73 -3.806 1.468 5.135 530 HG13 VAL 73 3HG1 VAL 73 -5.501 1.347 4.661 531 HG21 VAL 73 1HG2 VAL 73 -3.117 2.246 2.298 532 HG22 VAL 73 2HG2 VAL 73 -4.622 2.903 1.656 533 HG23 VAL 73 3HG2 VAL 73 -3.363 3.991 2.240 534 H THR 74 H THR 74 -8.082 2.652 4.530 535 HA THR 74 HA THR 74 -8.131 3.841 7.146 536 HB THR 74 HB THR 74 -10.225 2.486 7.441 537 HG1 THR 74 1HG THR 74 -10.448 1.891 4.783 538 HG21 THR 74 1HG2 THR 74 -11.524 3.933 6.169 539 HG22 THR 74 2HG2 THR 74 -10.377 3.946 4.829 540 HG23 THR 74 3HG2 THR 74 -10.006 4.817 6.317 541 H ALA 75 H ALA 75 -8.887 2.241 8.989 542 HA ALA 75 HA ALA 75 -6.651 0.683 9.674 543 HB1 ALA 75 1HB ALA 75 -7.779 0.158 11.662 544 HB2 ALA 75 2HB ALA 75 -8.368 1.762 11.220 545 HB3 ALA 75 3HB ALA 75 -9.365 0.341 10.912 546 H GLY 76 H GLY 76 -9.955 -0.345 8.789 547 HA2 GLY 76 1HA GLY 76 -9.874 -3.013 8.907 548 HA3 GLY 76 2HA GLY 76 -10.579 -2.194 7.522 549 H GLN 77 H GLN 77 -8.230 -1.128 6.401 550 HA GLN 77 HA GLN 77 -7.202 -3.514 5.131 551 HB2 GLN 77 1HB GLN 77 -6.825 -0.568 4.623 552 HB3 GLN 77 2HB GLN 77 -5.930 -1.795 3.737 553 HG2 GLN 77 1HG GLN 77 -8.135 -2.778 3.064 554 HG3 GLN 77 2HG GLN 77 -8.901 -1.355 3.767 555 HE21 GLN 77 1HE2 GLN 77 -8.827 -2.331 0.997 556 HE22 GLN 77 2HE2 GLN 77 -8.189 -1.027 0.059 557 H LEU 78 H LEU 78 -5.861 -0.769 6.948 558 HA LEU 78 HA LEU 78 -3.193 -1.344 6.907 559 HB2 LEU 78 1HB LEU 78 -4.982 -0.171 8.981 560 HB3 LEU 78 2HB LEU 78 -3.306 -0.515 9.401 561 HG LEU 78 HG LEU 78 -4.155 1.261 7.116 562 HD11 LEU 78 1HD1 LEU 78 -3.612 1.826 9.991 563 HD12 LEU 78 2HD1 LEU 78 -4.821 2.521 8.913 564 HD13 LEU 78 3HD1 LEU 78 -3.132 3.006 8.772 565 HD21 LEU 78 1HD2 LEU 78 -1.951 0.228 6.855 566 HD22 LEU 78 2HD2 LEU 78 -1.478 0.834 8.442 567 HD23 LEU 78 3HD2 LEU 78 -1.823 1.965 7.132 568 H ALA 79 H ALA 79 -5.646 -2.804 9.002 569 HA ALA 79 HA ALA 79 -4.077 -4.304 10.689 570 HB1 ALA 79 1HB ALA 79 -6.816 -4.329 9.824 571 HB2 ALA 79 2HB ALA 79 -6.221 -5.978 10.026 572 HB3 ALA 79 3HB ALA 79 -6.124 -4.834 11.366 573 H ASN 80 H ASN 80 -4.885 -4.928 7.328 574 HA ASN 80 HA ASN 80 -3.779 -7.576 7.309 575 HB2 ASN 80 1HB ASN 80 -4.369 -5.799 4.935 576 HB3 ASN 80 2HB ASN 80 -4.211 -7.553 4.939 577 HD21 ASN 80 1HD2 ASN 80 -6.427 -5.946 4.030 578 HD22 ASN 80 2HD2 ASN 80 -7.800 -6.423 4.965 579 H ALA 81 H ALA 81 -2.592 -4.359 6.784 580 HA ALA 81 HA ALA 81 -0.330 -4.838 5.240 581 HB1 ALA 81 1HB ALA 81 -1.408 -2.640 6.361 582 HB2 ALA 81 2HB ALA 81 -0.011 -2.873 7.412 583 HB3 ALA 81 3HB ALA 81 0.215 -2.693 5.672 584 H HIS 82 H HIS 82 1.390 -6.070 5.579 585 HA HIS 82 HA HIS 82 1.947 -7.100 8.233 586 HB2 HIS 82 1HB HIS 82 2.183 -8.819 6.716 587 HB3 HIS 82 2HB HIS 82 2.825 -7.766 5.459 588 HD1 HIS 82 1HD HIS 82 3.844 -10.196 7.947 589 HD2 HIS 82 2HD HIS 82 5.615 -6.988 5.987 590 HE1 HIS 82 1HE HIS 82 6.322 -10.510 8.245 591 HE2 HIS 82 2HE HIS 82 7.368 -8.512 7.125 592 H ILE 83 H ILE 83 3.330 -6.180 9.584 593 HA ILE 83 HA ILE 83 5.047 -4.036 8.699 594 HB ILE 83 HB ILE 83 4.708 -5.268 11.436 595 HG12 ILE 83 1HG1 ILE 83 3.673 -2.635 10.369 596 HG13 ILE 83 2HG1 ILE 83 2.708 -4.105 10.454 597 HG21 ILE 83 1HG2 ILE 83 5.683 -2.718 11.770 598 HG22 ILE 83 2HG2 ILE 83 6.613 -4.209 11.914 599 HG23 ILE 83 3HG2 ILE 83 6.601 -3.321 10.391 600 HD11 ILE 83 1HD1 ILE 83 2.749 -4.106 12.809 601 HD12 ILE 83 2HD1 ILE 83 4.014 -2.878 12.861 602 HD13 ILE 83 3HD1 ILE 83 2.391 -2.451 12.320 603 H ASP 84 H ASP 84 7.236 -4.043 8.533 604 HA ASP 84 HA ASP 84 8.529 -6.638 8.425 605 HB2 ASP 84 1HB ASP 84 9.256 -3.870 7.530 606 HB3 ASP 84 2HB ASP 84 10.509 -5.099 7.675 607 H TYR 85 H TYR 85 9.195 -7.435 10.317 608 HA TYR 85 HA TYR 85 10.366 -5.627 12.304 609 HB2 TYR 85 1HB TYR 85 9.200 -8.390 12.439 610 HB3 TYR 85 2HB TYR 85 10.267 -7.814 13.714 611 HD1 TYR 85 1HD TYR 85 9.554 -5.133 14.246 612 HD2 TYR 85 2HD TYR 85 6.999 -8.340 13.110 613 HE1 TYR 85 1HE TYR 85 7.658 -3.996 15.324 614 HE2 TYR 85 2HE TYR 85 5.095 -7.212 14.184 615 HH TYR 85 HH TYR 85 4.802 -5.490 16.069 616 H THR 86 H THR 86 11.926 -6.086 10.051 617 HA THR 86 HA THR 86 13.952 -8.024 10.919 618 HB THR 86 HB THR 86 14.948 -7.666 8.655 619 HG1 THR 86 1HG THR 86 13.169 -6.677 7.202 620 HG21 THR 86 1HG2 THR 86 13.301 -8.974 7.459 621 HG22 THR 86 2HG2 THR 86 12.044 -8.492 8.598 622 HG23 THR 86 3HG2 THR 86 13.373 -9.520 9.133 623 H SER 87 H SER 87 13.700 -4.679 9.721 624 HA SER 87 HA SER 87 16.134 -4.050 11.258 625 HB2 SER 87 1HB SER 87 15.336 -2.987 8.539 626 HB3 SER 87 2HB SER 87 16.679 -2.365 9.498 627 HG SER 87 HG SER 87 16.584 -4.538 7.902 628 H ARG 88 H ARG 88 13.149 -2.764 9.841 629 HA ARG 88 HA ARG 88 12.877 -0.997 12.155 630 HB2 ARG 88 1HB ARG 88 13.944 0.235 10.196 631 HB3 ARG 88 2HB ARG 88 12.411 0.031 9.360 632 HG2 ARG 88 1HG ARG 88 11.270 1.397 10.897 633 HG3 ARG 88 2HG ARG 88 12.603 1.342 12.053 634 HD2 ARG 88 1HD ARG 88 13.136 2.442 9.343 635 HD3 ARG 88 2HD ARG 88 12.206 3.427 10.471 636 HE ARG 88 HE ARG 88 14.306 2.749 11.970 637 HH11 ARG 88 2HH1 ARG 88 14.113 3.945 8.707 638 HH12 ARG 88 1HH1 ARG 88 15.644 4.752 8.773 639 HH21 ARG 88 2HH2 ARG 88 16.324 3.808 12.070 640 HH22 ARG 88 1HH2 ARG 88 16.901 4.673 10.687 641 HA PRO 89 HA PRO 89 8.825 -2.820 11.822 642 HB2 PRO 89 1HB PRO 89 7.789 -1.589 14.009 643 HB3 PRO 89 2HB PRO 89 8.878 -2.978 14.114 644 HG2 PRO 89 1HG PRO 89 9.488 -0.064 14.431 645 HG3 PRO 89 2HG PRO 89 10.060 -1.438 15.395 646 HD2 PRO 89 1HD PRO 89 11.576 -0.273 13.478 647 HD3 PRO 89 2HD PRO 89 11.682 -2.004 13.858 648 H ALA 90 H ALA 90 8.503 -1.530 9.828 649 HA ALA 90 HA ALA 90 6.546 0.601 10.318 650 HB1 ALA 90 1HB ALA 90 8.890 0.760 8.435 651 HB2 ALA 90 2HB ALA 90 7.497 1.839 8.348 652 HB3 ALA 90 3HB ALA 90 8.512 1.825 9.790 653 H ILE 91 H ILE 91 5.307 1.114 8.261 654 HA ILE 91 HA ILE 91 4.432 -1.400 7.106 655 HB ILE 91 HB ILE 91 3.341 1.400 6.816 656 HG12 ILE 91 1HG1 ILE 91 1.837 -0.813 8.114 657 HG13 ILE 91 2HG1 ILE 91 3.194 -0.135 9.007 658 HG21 ILE 91 1HG2 ILE 91 1.867 -1.065 5.994 659 HG22 ILE 91 2HG2 ILE 91 1.624 0.606 5.489 660 HG23 ILE 91 3HG2 ILE 91 3.008 -0.305 4.886 661 HD11 ILE 91 1HD1 ILE 91 0.554 0.887 8.690 662 HD12 ILE 91 2HD1 ILE 91 1.872 1.494 9.694 663 HD13 ILE 91 3HD1 ILE 91 1.710 2.040 8.025 664 H VAL 92 H VAL 92 4.835 -2.086 5.095 665 HA VAL 92 HA VAL 92 6.522 -0.416 3.389 666 HB VAL 92 HB VAL 92 5.810 -3.343 3.156 667 HG11 VAL 92 1HG1 VAL 92 6.339 -2.079 1.012 668 HG12 VAL 92 2HG1 VAL 92 7.973 -1.895 1.653 669 HG13 VAL 92 3HG1 VAL 92 7.316 -3.506 1.358 670 HG21 VAL 92 1HG2 VAL 92 7.591 -2.060 4.884 671 HG22 VAL 92 2HG2 VAL 92 7.506 -3.785 4.528 672 HG23 VAL 92 3HG2 VAL 92 8.592 -2.746 3.605 673 H PHE 93 H PHE 93 5.947 0.282 1.389 674 HA PHE 93 HA PHE 93 3.280 -0.468 0.399 675 HB2 PHE 93 1HB PHE 93 4.475 2.300 0.579 676 HB3 PHE 93 2HB PHE 93 3.069 1.920 -0.410 677 HD1 PHE 93 2HD PHE 93 0.935 1.397 0.606 678 HD2 PHE 93 1HD PHE 93 4.335 2.341 2.987 679 HE1 PHE 93 2HE PHE 93 -0.527 1.732 2.556 680 HE2 PHE 93 1HE PHE 93 2.878 2.676 4.941 681 HZ PHE 93 HZ PHE 93 0.444 2.372 4.727 682 H ARG 94 H ARG 94 3.053 0.475 -1.959 683 HA ARG 94 HA ARG 94 5.457 0.552 -3.513 684 HB2 ARG 94 1HB ARG 94 3.896 -1.968 -3.277 685 HB3 ARG 94 2HB ARG 94 4.472 -1.523 -4.878 686 HG2 ARG 94 1HG ARG 94 6.765 -1.256 -3.769 687 HG3 ARG 94 2HG ARG 94 6.063 -2.153 -2.422 688 HD2 ARG 94 1HD ARG 94 5.365 -3.874 -4.193 689 HD3 ARG 94 2HD ARG 94 6.511 -3.050 -5.250 690 HE ARG 94 HE ARG 94 7.127 -4.746 -2.994 691 HH11 ARG 94 2HH1 ARG 94 8.280 -2.309 -5.196 692 HH12 ARG 94 1HH1 ARG 94 9.951 -2.700 -4.960 693 HH21 ARG 94 2HH2 ARG 94 9.323 -5.271 -2.674 694 HH22 ARG 94 1HH2 ARG 94 10.543 -4.386 -3.526 695 H ILE 95 H ILE 95 5.117 1.413 -5.522 696 HA ILE 95 HA ILE 95 2.371 1.658 -6.500 697 HB ILE 95 HB ILE 95 4.206 4.034 -6.171 698 HG12 ILE 95 1HG1 ILE 95 1.521 3.740 -4.870 699 HG13 ILE 95 2HG1 ILE 95 2.935 3.000 -4.128 700 HG21 ILE 95 1HG2 ILE 95 1.545 3.663 -7.493 701 HG22 ILE 95 2HG2 ILE 95 2.028 5.233 -6.851 702 HG23 ILE 95 3HG2 ILE 95 2.993 4.460 -8.108 703 HD11 ILE 95 1HD1 ILE 95 2.082 5.758 -4.143 704 HD12 ILE 95 2HD1 ILE 95 3.270 4.945 -3.123 705 HD13 ILE 95 3HD1 ILE 95 3.746 5.581 -4.697 706 H SER 96 H SER 96 2.186 1.812 -8.709 707 HA SER 96 HA SER 96 4.563 2.173 -10.340 708 HB2 SER 96 1HB SER 96 4.471 -0.273 -9.779 709 HB3 SER 96 2HB SER 96 2.915 -0.351 -10.604 710 HG SER 96 HG SER 96 3.889 -0.208 -12.482 711 H ALA 97 H ALA 97 3.918 1.938 -12.748 712 HA ALA 97 HA ALA 97 1.374 3.365 -13.093 713 HB1 ALA 97 1HB ALA 97 2.623 4.771 -14.275 714 HB2 ALA 97 2HB ALA 97 4.007 3.678 -14.226 715 HB3 ALA 97 3HB ALA 97 2.788 3.502 -15.489 716 H LYS 98 H LYS 98 0.205 2.945 -15.155 717 HA LYS 98 HA LYS 98 0.471 0.158 -16.054 718 HB2 LYS 98 1HB LYS 98 -1.420 0.671 -14.321 719 HB3 LYS 98 2HB LYS 98 -2.241 1.388 -15.702 720 HG2 LYS 98 1HG LYS 98 -1.689 -0.901 -16.839 721 HG3 LYS 98 2HG LYS 98 -1.556 -1.461 -15.170 722 HD2 LYS 98 1HD LYS 98 -3.780 -1.840 -15.509 723 HD3 LYS 98 2HD LYS 98 -3.861 -0.169 -14.946 724 HE2 LYS 98 1HE LYS 98 -3.628 -0.866 -17.860 725 HE3 LYS 98 2HE LYS 98 -5.188 -0.773 -17.043 726 HZ1 LYS 98 1HZ LYS 98 -4.313 1.537 -16.309 727 HZ2 LYS 98 2HZ LYS 98 -4.948 1.342 -17.864 728 HZ3 LYS 98 3HZ LYS 98 -3.272 1.378 -17.634 729 H ASN 99 H ASN 99 0.935 0.237 -18.148 730 HA ASN 99 HA ASN 99 -0.607 2.070 -19.853 731 HB2 ASN 99 1HB ASN 99 1.770 2.863 -19.415 732 HB3 ASN 99 2HB ASN 99 2.310 1.452 -20.319 733 HD21 ASN 99 1HD2 ASN 99 3.243 2.677 -21.932 734 HD22 ASN 99 2HD2 ASN 99 2.309 3.555 -23.091 735 H GLU 100 H GLU 100 -0.148 1.417 -22.273 736 HA GLU 100 HA GLU 100 -1.439 -0.804 -22.963 737 HB2 GLU 100 1HB GLU 100 0.985 0.395 -24.286 738 HB3 GLU 100 2HB GLU 100 0.115 -0.955 -25.001 739 HG2 GLU 100 1HG GLU 100 -1.914 0.373 -25.095 740 HG3 GLU 100 2HG GLU 100 -1.081 1.723 -24.325 741 H LYS 101 H LYS 101 2.034 -0.745 -22.233 742 HA LYS 101 HA LYS 101 2.648 -3.397 -22.733 743 HB2 LYS 101 1HB LYS 101 4.062 -1.292 -21.843 744 HB3 LYS 101 2HB LYS 101 3.881 -2.168 -20.329 745 HG2 LYS 101 1HG LYS 101 4.785 -3.684 -22.715 746 HG3 LYS 101 2HG LYS 101 5.925 -2.578 -21.945 747 HD2 LYS 101 1HD LYS 101 4.383 -4.667 -20.421 748 HD3 LYS 101 2HD LYS 101 5.972 -4.971 -21.127 749 HE2 LYS 101 1HE LYS 101 5.584 -2.593 -19.368 750 HE3 LYS 101 2HE LYS 101 5.736 -4.189 -18.635 751 HZ1 LYS 101 1HZ LYS 101 7.709 -3.413 -20.651 752 HZ2 LYS 101 2HZ LYS 101 7.894 -4.382 -19.277 753 HZ3 LYS 101 3HZ LYS 101 7.825 -2.698 -19.122 754 H GLY 102 H GLY 102 1.742 -1.984 -19.579 755 HA2 GLY 102 1HA GLY 102 -0.135 -3.595 -18.640 756 HA3 GLY 102 2HA GLY 102 1.252 -4.669 -18.538 757 H TYR 103 H TYR 103 2.937 -4.185 -17.075 758 HA TYR 103 HA TYR 103 2.590 -1.951 -15.253 759 HB2 TYR 103 1HB TYR 103 2.046 -4.784 -14.520 760 HB3 TYR 103 2HB TYR 103 2.909 -3.795 -13.348 761 HD1 TYR 103 2HD TYR 103 1.793 -1.383 -12.983 762 HD2 TYR 103 1HD TYR 103 -0.250 -4.855 -14.352 763 HE1 TYR 103 2HE TYR 103 -0.338 -0.424 -12.216 764 HE2 TYR 103 1HE TYR 103 -2.387 -3.905 -13.590 765 HH TYR 103 HH TYR 103 -2.836 -0.733 -12.871 766 H GLY 104 H GLY 104 4.527 -1.112 -14.876 767 HA2 GLY 104 1HA GLY 104 6.903 -2.719 -15.442 768 HA3 GLY 104 2HA GLY 104 6.852 -0.973 -15.250 769 HA PRO 105 HA PRO 105 8.791 -2.497 -11.409 770 HB2 PRO 105 1HB PRO 105 10.310 -0.276 -11.052 771 HB3 PRO 105 2HB PRO 105 10.792 -1.609 -12.108 772 HG2 PRO 105 1HG PRO 105 9.530 1.010 -12.820 773 HG3 PRO 105 2HG PRO 105 10.858 0.152 -13.624 774 HD2 PRO 105 1HD PRO 105 8.314 0.093 -14.549 775 HD3 PRO 105 2HD PRO 105 9.430 -1.275 -14.736 776 H ALA 106 H ALA 106 8.623 -1.757 -9.238 777 HA ALA 106 HA ALA 106 6.748 0.481 -8.840 778 HB1 ALA 106 1HB ALA 106 6.725 -1.903 -7.034 779 HB2 ALA 106 2HB ALA 106 5.459 -0.712 -7.333 780 HB3 ALA 106 3HB ALA 106 5.833 -1.926 -8.556 781 H THR 107 H THR 107 7.314 1.945 -7.344 782 HA THR 107 HA THR 107 9.892 1.686 -6.068 783 HB THR 107 HB THR 107 7.904 3.947 -5.800 784 HG1 THR 107 1HG THR 107 8.852 4.834 -7.575 785 HG21 THR 107 1HG2 THR 107 9.416 4.940 -4.496 786 HG22 THR 107 2HG2 THR 107 10.689 4.666 -5.686 787 HG23 THR 107 3HG2 THR 107 10.325 3.430 -4.482 788 H GLN 108 H GLN 108 10.309 1.357 -3.948 789 HA GLN 108 HA GLN 108 8.017 0.702 -2.240 790 HB2 GLN 108 1HB GLN 108 9.784 -1.023 -2.614 791 HB3 GLN 108 2HB GLN 108 10.934 0.039 -1.812 792 HG2 GLN 108 1HG GLN 108 9.740 -0.119 0.253 793 HG3 GLN 108 2HG GLN 108 8.426 -1.005 -0.521 794 HE21 GLN 108 1HE2 GLN 108 11.066 -1.327 1.379 795 HE22 GLN 108 2HE2 GLN 108 11.451 -2.984 1.076 796 H ILE 109 H ILE 109 8.013 1.371 -0.015 797 HA ILE 109 HA ILE 109 9.835 3.439 0.837 798 HB ILE 109 HB ILE 109 8.183 4.674 -0.569 799 HG12 ILE 109 1HG1 ILE 109 7.808 5.459 2.309 800 HG13 ILE 109 2HG1 ILE 109 9.394 5.554 1.552 801 HG21 ILE 109 1HG2 ILE 109 5.974 4.458 -0.337 802 HG22 ILE 109 2HG2 ILE 109 6.334 3.026 0.625 803 HG23 ILE 109 3HG2 ILE 109 6.062 4.576 1.421 804 HD11 ILE 109 1HD1 ILE 109 8.253 6.960 -0.243 805 HD12 ILE 109 2HD1 ILE 109 6.910 7.087 0.894 806 HD13 ILE 109 3HD1 ILE 109 8.504 7.694 1.341 807 H ARG 110 H ARG 110 10.028 3.460 3.001 808 HA ARG 110 HA ARG 110 8.205 1.746 4.528 809 HB2 ARG 110 1HB ARG 110 10.998 2.746 5.066 810 HB3 ARG 110 2HB ARG 110 10.028 1.943 6.294 811 HG2 ARG 110 1HG ARG 110 10.014 -0.087 5.103 812 HG3 ARG 110 2HG ARG 110 10.613 0.684 3.632 813 HD2 ARG 110 1HD ARG 110 12.233 0.715 6.152 814 HD3 ARG 110 2HD ARG 110 12.250 -0.691 5.088 815 HE ARG 110 HE ARG 110 12.781 1.834 3.787 816 HH11 ARG 110 2HH1 ARG 110 14.123 -0.951 5.387 817 HH12 ARG 110 1HH1 ARG 110 15.691 -0.768 4.673 818 HH21 ARG 110 2HH2 ARG 110 14.841 2.086 2.840 819 HH22 ARG 110 1HH2 ARG 110 16.099 0.960 3.225 820 H TRP 111 H TRP 111 6.839 2.549 5.992 821 HA TRP 111 HA TRP 111 7.179 5.361 6.808 822 HB2 TRP 111 1HB TRP 111 5.266 4.954 5.227 823 HB3 TRP 111 2HB TRP 111 4.539 3.929 6.461 824 HD1 TRP 111 HD TRP 111 5.838 7.591 6.252 825 HE1 TRP 111 1HE TRP 111 4.223 9.073 7.602 826 HE3 TRP 111 3HE TRP 111 2.645 3.977 7.948 827 HZ2 TRP 111 2HZ TRP 111 1.903 8.752 9.177 828 HZ3 TRP 111 3HZ TRP 111 0.753 4.648 9.371 829 HH2 TRP 111 HH TRP 111 0.392 6.986 9.972 830 H LEU 112 H LEU 112 7.823 5.371 8.862 831 HA LEU 112 HA LEU 112 7.389 3.263 10.691 832 HB2 LEU 112 1HB LEU 112 8.313 6.102 10.989 833 HB3 LEU 112 2HB LEU 112 8.102 5.051 12.387 834 HG LEU 112 HG LEU 112 9.878 4.261 10.100 835 HD11 LEU 112 1HD1 LEU 112 11.723 5.342 11.036 836 HD12 LEU 112 2HD1 LEU 112 10.877 5.681 12.545 837 HD13 LEU 112 3HD1 LEU 112 10.446 6.558 11.077 838 HD21 LEU 112 1HD2 LEU 112 9.447 2.460 11.545 839 HD22 LEU 112 2HD2 LEU 112 9.578 3.472 12.984 840 HD23 LEU 112 3HD2 LEU 112 11.020 3.081 12.045 841 H GLN 113 H GLN 113 5.756 2.836 12.038 842 HA GLN 113 HA GLN 113 3.288 4.157 11.829 843 HB2 GLN 113 1HB GLN 113 4.375 2.186 13.830 844 HB3 GLN 113 2HB GLN 113 2.737 2.816 13.937 845 HG2 GLN 113 1HG GLN 113 2.355 1.973 11.614 846 HG3 GLN 113 2HG GLN 113 3.926 1.180 11.715 847 HE21 GLN 113 1HE2 GLN 113 0.979 0.314 11.618 848 HE22 GLN 113 2HE2 GLN 113 0.881 -0.892 12.851 849 H GLY 114 H GLY 114 2.564 5.972 12.721 850 HA2 GLY 114 1HA GLY 114 2.207 7.174 14.853 851 HA3 GLY 114 2HA GLY 114 3.925 6.957 15.154 852 H ASN 115 H ASN 115 1.948 9.316 14.666 853 HA ASN 115 HA ASN 115 3.870 11.078 13.575 854 HB2 ASN 115 1HB ASN 115 2.836 9.759 11.541 855 HB3 ASN 115 2HB ASN 115 1.496 10.881 11.762 856 HD21 ASN 115 1HD2 ASN 115 1.777 12.028 9.915 857 HD22 ASN 115 2HD2 ASN 115 3.155 13.022 9.601 858 H SER 116 H SER 116 3.273 13.249 13.784 859 HA SER 116 HA SER 116 1.541 13.901 15.835 860 HB2 SER 116 1HB SER 116 1.815 16.216 15.169 861 HB3 SER 116 2HB SER 116 3.348 15.374 14.943 862 HG SER 116 HG SER 116 3.209 16.182 13.003 863 H LYS 117 H LYS 117 -0.322 15.550 15.547 864 HA LYS 117 HA LYS 117 -2.380 14.211 14.048 865 HB2 LYS 117 1HB LYS 117 -2.270 16.445 16.019 866 HB3 LYS 117 2HB LYS 117 -3.676 16.345 14.966 867 HG2 LYS 117 1HG LYS 117 -3.827 13.901 15.738 868 HG3 LYS 117 2HG LYS 117 -2.733 14.395 17.033 869 HD2 LYS 117 1HD LYS 117 -4.311 16.080 17.767 870 HD3 LYS 117 2HD LYS 117 -5.384 15.701 16.417 871 HE2 LYS 117 1HE LYS 117 -5.695 13.442 17.300 872 HE3 LYS 117 2HE LYS 117 -4.611 13.812 18.641 873 HZ1 LYS 117 1HZ LYS 117 -6.693 15.739 18.428 874 HZ2 LYS 117 2HZ LYS 117 -6.258 14.775 19.747 875 HZ3 LYS 117 3HZ LYS 117 -7.330 14.180 18.582 876 H SER 118 H SER 118 -4.030 15.822 12.931 877 HA SER 118 HA SER 118 -2.478 17.520 11.088 878 HB2 SER 118 1HB SER 118 -3.247 15.427 10.007 879 HB3 SER 118 2HB SER 118 -4.912 15.851 10.407 880 HG SER 118 HG SER 118 -4.881 16.883 8.583 881 H GLY 119 H GLY 119 -3.453 19.423 10.345 882 HA2 GLY 119 1HA GLY 119 -6.036 20.293 10.683 883 HA3 GLY 119 2HA GLY 119 -5.246 20.646 12.212 884 HA PRO 120 HA PRO 120 -3.639 23.433 8.538 885 HB2 PRO 120 1HB PRO 120 -5.773 24.501 7.243 886 HB3 PRO 120 2HB PRO 120 -4.963 23.025 6.705 887 HG2 PRO 120 1HG PRO 120 -7.483 23.332 8.292 888 HG3 PRO 120 2HG PRO 120 -7.135 22.230 6.947 889 HD2 PRO 120 1HD PRO 120 -7.076 21.434 9.535 890 HD3 PRO 120 2HD PRO 120 -6.013 20.735 8.296 891 H SER 121 H SER 121 -3.091 25.366 9.324 892 HA SER 121 HA SER 121 -5.064 26.818 10.963 893 HB2 SER 121 1HB SER 121 -2.043 26.863 11.173 894 HB3 SER 121 2HB SER 121 -3.158 27.772 12.193 895 HG SER 121 HG SER 121 -2.640 25.921 13.290 896 H SER 122 H SER 122 -5.090 27.154 8.215 897 HA SER 122 HA SER 122 -4.216 29.946 8.002 898 HB2 SER 122 1HB SER 122 -2.638 28.301 6.808 899 HB3 SER 122 2HB SER 122 -3.958 28.061 5.664 900 HG SER 122 HG SER 122 -3.921 30.380 5.364 901 H GLY 123 H GLY 123 -5.768 31.261 7.277 902 HA2 GLY 123 1HA GLY 123 -8.123 30.015 5.997 903 HA3 GLY 123 2HA GLY 123 -8.227 31.377 7.102 Start of MODEL 16 1 H1 GLY 1 H GLY 1 9.776 -11.816 -29.160 2 HA2 GLY 1 1HA GLY 1 9.435 -8.915 -29.607 3 HA3 GLY 1 2HA GLY 1 9.307 -9.627 -28.006 4 H SER 2 H SER 2 10.989 -8.242 -27.286 5 HA SER 2 HA SER 2 13.645 -9.301 -27.906 6 HB2 SER 2 1HB SER 2 12.918 -6.364 -27.960 7 HB3 SER 2 2HB SER 2 14.571 -6.979 -27.966 8 HG SER 2 HG SER 2 13.619 -8.267 -29.883 9 H SER 3 H SER 3 15.299 -8.352 -26.320 10 HA SER 3 HA SER 3 14.186 -8.658 -23.653 11 HB2 SER 3 1HB SER 3 16.568 -8.747 -22.941 12 HB3 SER 3 2HB SER 3 16.185 -9.936 -24.186 13 HG SER 3 HG SER 3 18.147 -8.791 -24.595 14 H GLY 4 H GLY 4 13.150 -6.737 -23.196 15 HA2 GLY 4 1HA GLY 4 14.813 -4.602 -22.271 16 HA3 GLY 4 2HA GLY 4 13.948 -4.161 -23.736 17 H SER 5 H SER 5 13.532 -2.751 -21.429 18 HA SER 5 HA SER 5 10.773 -3.521 -20.762 19 HB2 SER 5 1HB SER 5 12.359 -4.038 -18.879 20 HB3 SER 5 2HB SER 5 12.719 -2.314 -18.783 21 HG SER 5 HG SER 5 10.892 -2.004 -17.790 22 H SER 6 H SER 6 10.057 -2.023 -22.327 23 HA SER 6 HA SER 6 10.783 0.769 -22.041 24 HB2 SER 6 1HB SER 6 10.315 -0.482 -24.259 25 HB3 SER 6 2HB SER 6 8.613 -0.275 -23.847 26 HG SER 6 HG SER 6 10.274 1.493 -24.940 27 H GLY 7 H GLY 7 9.596 -0.214 -19.731 28 HA2 GLY 7 1HA GLY 7 6.796 0.567 -19.754 29 HA3 GLY 7 2HA GLY 7 7.694 -0.063 -18.381 30 HA PRO 8 HA PRO 8 7.069 4.611 -18.087 31 HB2 PRO 8 1HB PRO 8 5.440 4.591 -15.915 32 HB3 PRO 8 2HB PRO 8 4.831 4.518 -17.572 33 HG2 PRO 8 1HG PRO 8 5.242 2.299 -15.605 34 HG3 PRO 8 2HG PRO 8 3.879 2.582 -16.705 35 HD2 PRO 8 1HD PRO 8 5.839 0.793 -17.244 36 HD3 PRO 8 2HD PRO 8 4.995 1.697 -18.517 37 H GLY 9 H GLY 9 8.416 5.792 -16.839 38 HA2 GLY 9 1HA GLY 9 10.352 4.627 -15.230 39 HA3 GLY 9 2HA GLY 9 9.928 6.332 -15.198 40 H ALA 10 H ALA 10 10.773 4.882 -12.941 41 HA ALA 10 HA ALA 10 8.502 4.109 -11.368 42 HB1 ALA 10 1HB ALA 10 10.404 2.987 -10.710 43 HB2 ALA 10 2HB ALA 10 11.426 4.418 -10.850 44 HB3 ALA 10 3HB ALA 10 10.308 4.263 -9.495 45 HA PRO 11 HA PRO 11 7.296 8.123 -9.985 46 HB2 PRO 11 1HB PRO 11 5.828 7.358 -7.833 47 HB3 PRO 11 2HB PRO 11 5.264 7.168 -9.497 48 HG2 PRO 11 1HG PRO 11 6.505 5.143 -7.675 49 HG3 PRO 11 2HG PRO 11 5.118 4.966 -8.766 50 HD2 PRO 11 1HD PRO 11 7.595 4.077 -9.402 51 HD3 PRO 11 2HD PRO 11 6.454 4.680 -10.622 52 H SER 12 H SER 12 7.947 9.644 -8.519 53 HA SER 12 HA SER 12 9.422 8.754 -6.146 54 HB2 SER 12 1HB SER 12 10.864 9.416 -8.268 55 HB3 SER 12 2HB SER 12 10.529 11.052 -7.703 56 HG SER 12 HG SER 12 11.240 9.607 -5.602 57 H THR 13 H THR 13 9.979 10.739 -4.744 58 HA THR 13 HA THR 13 9.281 12.509 -3.490 59 HB THR 13 HB THR 13 7.539 13.310 -5.823 60 HG1 THR 13 1HG THR 13 9.488 13.321 -6.755 61 HG21 THR 13 1HG2 THR 13 7.628 14.378 -3.338 62 HG22 THR 13 2HG2 THR 13 7.263 15.305 -4.794 63 HG23 THR 13 3HG2 THR 13 8.897 15.308 -4.133 64 H VAL 14 H VAL 14 7.983 10.052 -3.174 65 HA VAL 14 HA VAL 14 5.135 10.490 -3.045 66 HB VAL 14 HB VAL 14 6.810 8.223 -1.955 67 HG11 VAL 14 1HG1 VAL 14 3.923 7.891 -2.508 68 HG12 VAL 14 2HG1 VAL 14 4.931 7.168 -1.252 69 HG13 VAL 14 3HG1 VAL 14 4.358 8.827 -1.078 70 HG21 VAL 14 1HG2 VAL 14 6.461 8.802 -4.555 71 HG22 VAL 14 2HG2 VAL 14 6.601 7.155 -3.939 72 HG23 VAL 14 3HG2 VAL 14 5.010 7.843 -4.265 73 H ARG 15 H ARG 15 4.247 11.688 -1.505 74 HA ARG 15 HA ARG 15 5.557 11.849 1.117 75 HB2 ARG 15 1HB ARG 15 3.755 13.668 -0.423 76 HB3 ARG 15 2HB ARG 15 3.743 13.758 1.333 77 HG2 ARG 15 1HG ARG 15 5.888 14.562 1.447 78 HG3 ARG 15 2HG ARG 15 6.352 13.845 -0.098 79 HD2 ARG 15 1HD ARG 15 4.655 15.501 -1.117 80 HD3 ARG 15 2HD ARG 15 4.776 16.339 0.430 81 HE ARG 15 HE ARG 15 7.358 16.043 -0.312 82 HH11 ARG 15 2HH1 ARG 15 4.542 17.315 -1.915 83 HH12 ARG 15 1HH1 ARG 15 5.437 18.450 -2.870 84 HH21 ARG 15 2HH2 ARG 15 8.548 17.533 -1.564 85 HH22 ARG 15 1HH2 ARG 15 7.716 18.572 -2.670 86 H ILE 16 H ILE 16 4.425 11.481 3.024 87 HA ILE 16 HA ILE 16 1.737 10.321 2.757 88 HB ILE 16 HB ILE 16 3.973 9.150 4.416 89 HG12 ILE 16 1HG1 ILE 16 2.521 7.885 2.092 90 HG13 ILE 16 2HG1 ILE 16 4.027 8.774 1.899 91 HG21 ILE 16 1HG2 ILE 16 1.951 7.313 4.369 92 HG22 ILE 16 2HG2 ILE 16 2.282 8.430 5.693 93 HG23 ILE 16 3HG2 ILE 16 1.069 8.836 4.479 94 HD11 ILE 16 1HD1 ILE 16 3.618 6.063 2.680 95 HD12 ILE 16 2HD1 ILE 16 5.127 6.912 2.340 96 HD13 ILE 16 3HD1 ILE 16 4.453 6.928 3.970 97 H SER 17 H SER 17 0.363 10.610 4.507 98 HA SER 17 HA SER 17 1.319 11.931 6.901 99 HB2 SER 17 1HB SER 17 -0.686 13.300 5.091 100 HB3 SER 17 2HB SER 17 -0.177 13.865 6.682 101 HG SER 17 HG SER 17 1.685 14.516 5.876 102 H LYS 18 H LYS 18 0.098 11.445 8.637 103 HA LYS 18 HA LYS 18 -1.878 9.439 8.445 104 HB2 LYS 18 1HB LYS 18 -0.404 9.830 10.424 105 HB3 LYS 18 2HB LYS 18 -1.340 11.274 10.786 106 HG2 LYS 18 1HG LYS 18 -2.298 9.723 12.183 107 HG3 LYS 18 2HG LYS 18 -3.365 9.648 10.779 108 HD2 LYS 18 1HD LYS 18 -2.973 7.409 11.226 109 HD3 LYS 18 2HD LYS 18 -1.769 7.762 9.984 110 HE2 LYS 18 1HE LYS 18 -0.027 7.884 11.575 111 HE3 LYS 18 2HE LYS 18 -1.160 7.947 12.923 112 HZ1 LYS 18 1HZ LYS 18 -0.803 5.767 13.069 113 HZ2 LYS 18 2HZ LYS 18 -0.097 5.671 11.535 114 HZ3 LYS 18 3HZ LYS 18 -1.780 5.612 11.697 115 H ASN 19 H ASN 19 -4.039 9.523 8.286 116 HA ASN 19 HA ASN 19 -5.287 12.188 8.236 117 HB2 ASN 19 1HB ASN 19 -5.274 10.548 6.182 118 HB3 ASN 19 2HB ASN 19 -6.589 9.764 7.051 119 HD21 ASN 19 1HD2 ASN 19 -5.573 12.576 5.315 120 HD22 ASN 19 2HD2 ASN 19 -7.132 13.308 5.173 121 H VAL 20 H VAL 20 -7.686 12.125 8.800 122 HA VAL 20 HA VAL 20 -7.943 11.118 11.461 123 HB VAL 20 HB VAL 20 -10.009 12.409 9.674 124 HG11 VAL 20 1HG1 VAL 20 -11.273 11.330 11.294 125 HG12 VAL 20 2HG1 VAL 20 -10.054 11.569 12.548 126 HG13 VAL 20 3HG1 VAL 20 -11.029 12.931 11.992 127 HG21 VAL 20 1HG2 VAL 20 -7.763 13.568 10.630 128 HG22 VAL 20 2HG2 VAL 20 -9.273 14.433 10.343 129 HG23 VAL 20 3HG2 VAL 20 -8.875 13.867 11.966 130 H ASP 21 H ASP 21 -9.281 10.232 8.319 131 HA ASP 21 HA ASP 21 -10.692 7.975 9.551 132 HB2 ASP 21 1HB ASP 21 -11.865 9.559 7.938 133 HB3 ASP 21 2HB ASP 21 -10.868 8.853 6.669 134 H GLY 22 H GLY 22 -7.751 8.144 9.125 135 HA2 GLY 22 1HA GLY 22 -6.823 5.756 8.799 136 HA3 GLY 22 2HA GLY 22 -7.374 5.998 7.148 137 H ILE 23 H ILE 23 -5.471 6.022 6.071 138 HA ILE 23 HA ILE 23 -3.539 8.108 6.852 139 HB ILE 23 HB ILE 23 -2.899 5.502 5.468 140 HG12 ILE 23 1HG1 ILE 23 -2.085 6.311 8.255 141 HG13 ILE 23 2HG1 ILE 23 -3.569 5.416 7.943 142 HG21 ILE 23 1HG2 ILE 23 -1.527 7.764 5.181 143 HG22 ILE 23 2HG2 ILE 23 -0.819 7.215 6.699 144 HG23 ILE 23 3HG2 ILE 23 -0.742 6.187 5.267 145 HD11 ILE 23 1HD1 ILE 23 -1.415 4.145 8.590 146 HD12 ILE 23 2HD1 ILE 23 -2.437 3.516 7.297 147 HD13 ILE 23 3HD1 ILE 23 -0.963 4.401 6.905 148 H HIS 24 H HIS 24 -2.763 9.448 5.279 149 HA HIS 24 HA HIS 24 -4.110 9.282 2.679 150 HB2 HIS 24 1HB HIS 24 -4.114 11.374 4.272 151 HB3 HIS 24 2HB HIS 24 -2.532 11.670 3.557 152 HD1 HIS 24 1HD HIS 24 -5.844 10.619 1.991 153 HD2 HIS 24 2HD HIS 24 -2.900 13.529 1.640 154 HE1 HIS 24 1HE HIS 24 -6.534 12.039 0.034 155 HE2 HIS 24 2HE HIS 24 -4.693 13.741 -0.212 156 H LEU 25 H LEU 25 -2.966 8.275 1.164 157 HA LEU 25 HA LEU 25 -0.043 8.527 1.172 158 HB2 LEU 25 1HB LEU 25 -1.466 6.296 1.028 159 HB3 LEU 25 2HB LEU 25 -1.469 6.699 -0.688 160 HG LEU 25 HG LEU 25 1.159 6.908 -0.194 161 HD11 LEU 25 1HD1 LEU 25 1.133 4.505 1.254 162 HD12 LEU 25 2HD1 LEU 25 0.088 5.623 2.131 163 HD13 LEU 25 3HD1 LEU 25 1.755 6.073 1.770 164 HD21 LEU 25 1HD2 LEU 25 0.530 5.576 -1.967 165 HD22 LEU 25 2HD2 LEU 25 -0.557 4.594 -0.984 166 HD23 LEU 25 3HD2 LEU 25 1.190 4.386 -0.845 167 H SER 26 H SER 26 0.861 9.928 -0.168 168 HA SER 26 HA SER 26 -0.545 10.591 -2.673 169 HB2 SER 26 1HB SER 26 0.220 12.857 -2.506 170 HB3 SER 26 2HB SER 26 -0.499 12.438 -0.951 171 HG SER 26 HG SER 26 1.860 13.415 -1.311 172 H TRP 27 H TRP 27 0.796 11.147 -4.484 173 HA TRP 27 HA TRP 27 3.632 10.689 -4.363 174 HB2 TRP 27 1HB TRP 27 3.673 8.772 -5.887 175 HB3 TRP 27 2HB TRP 27 2.808 8.374 -4.405 176 HD1 TRP 27 HD TRP 27 2.144 9.149 -8.120 177 HE1 TRP 27 1HE TRP 27 -0.139 8.145 -8.758 178 HE3 TRP 27 3HE TRP 27 0.620 7.592 -3.495 179 HZ2 TRP 27 2HZ TRP 27 -2.300 6.863 -7.470 180 HZ3 TRP 27 3HZ TRP 27 -1.568 6.486 -3.284 181 HH2 TRP 27 HH TRP 27 -2.996 6.131 -5.232 182 H GLU 28 H GLU 28 4.627 10.853 -6.577 183 HA GLU 28 HA GLU 28 2.980 12.564 -8.322 184 HB2 GLU 28 1HB GLU 28 5.918 12.855 -7.668 185 HB3 GLU 28 2HB GLU 28 5.057 13.810 -8.868 186 HG2 GLU 28 1HG GLU 28 4.285 13.734 -5.966 187 HG3 GLU 28 2HG GLU 28 5.413 14.909 -6.641 188 HA PRO 29 HA PRO 29 3.988 9.909 -11.668 189 HB2 PRO 29 1HB PRO 29 4.000 11.667 -13.736 190 HB3 PRO 29 2HB PRO 29 2.517 11.145 -12.929 191 HG2 PRO 29 1HG PRO 29 4.098 13.658 -12.546 192 HG3 PRO 29 2HG PRO 29 2.340 13.447 -12.651 193 HD2 PRO 29 1HD PRO 29 3.632 13.752 -10.291 194 HD3 PRO 29 2HD PRO 29 2.164 12.768 -10.456 195 HA PRO 30 HA PRO 30 8.281 9.980 -12.616 196 HB2 PRO 30 1HB PRO 30 8.339 8.979 -15.139 197 HB3 PRO 30 2HB PRO 30 7.975 7.989 -13.721 198 HG2 PRO 30 1HG PRO 30 6.100 9.225 -15.701 199 HG3 PRO 30 2HG PRO 30 6.064 7.602 -14.988 200 HD2 PRO 30 1HD PRO 30 4.481 9.615 -14.108 201 HD3 PRO 30 2HD PRO 30 5.098 8.346 -13.031 202 H THR 31 H THR 31 9.845 11.269 -13.494 203 HA THR 31 HA THR 31 9.012 13.684 -14.775 204 HB THR 31 HB THR 31 10.861 13.721 -13.187 205 HG1 THR 31 1HG THR 31 10.777 15.124 -15.181 206 HG21 THR 31 1HG2 THR 31 12.835 12.544 -13.408 207 HG22 THR 31 2HG2 THR 31 12.657 12.365 -15.154 208 HG23 THR 31 3HG2 THR 31 11.675 11.388 -14.062 209 H SER 32 H SER 32 10.803 10.808 -15.797 210 HA SER 32 HA SER 32 11.724 11.522 -18.258 211 HB2 SER 32 1HB SER 32 11.768 9.239 -18.824 212 HB3 SER 32 2HB SER 32 11.824 9.233 -17.061 213 HG SER 32 HG SER 32 9.382 9.103 -17.345 214 HA PRO 33 HA PRO 33 8.340 12.518 -20.869 215 HB2 PRO 33 1HB PRO 33 9.274 11.664 -23.271 216 HB3 PRO 33 2HB PRO 33 9.897 13.103 -22.455 217 HG2 PRO 33 1HG PRO 33 11.035 10.335 -22.547 218 HG3 PRO 33 2HG PRO 33 11.867 11.893 -22.704 219 HD2 PRO 33 1HD PRO 33 11.860 10.471 -20.400 220 HD3 PRO 33 2HD PRO 33 11.904 12.245 -20.426 221 H SER 34 H SER 34 6.650 11.198 -20.226 222 HA SER 34 HA SER 34 6.483 8.546 -21.490 223 HB2 SER 34 1HB SER 34 4.766 8.043 -19.762 224 HB3 SER 34 2HB SER 34 6.335 8.446 -19.065 225 HG SER 34 HG SER 34 4.607 9.527 -18.012 226 H GLY 35 H GLY 35 4.345 11.242 -20.530 227 HA2 GLY 35 1HA GLY 35 2.952 12.374 -22.124 228 HA3 GLY 35 2HA GLY 35 2.936 10.908 -23.093 229 H ASN 36 H ASN 36 1.345 9.438 -22.798 230 HA ASN 36 HA ASN 36 -0.778 10.181 -20.936 231 HB2 ASN 36 1HB ASN 36 -0.667 8.320 -23.307 232 HB3 ASN 36 2HB ASN 36 -2.048 8.367 -22.215 233 HD21 ASN 36 1HD2 ASN 36 -0.144 10.216 -24.497 234 HD22 ASN 36 2HD2 ASN 36 -1.362 11.387 -24.855 235 H ILE 37 H ILE 37 -0.802 9.280 -18.994 236 HA ILE 37 HA ILE 37 0.251 6.544 -18.694 237 HB ILE 37 HB ILE 37 0.110 8.762 -16.650 238 HG12 ILE 37 1HG1 ILE 37 1.929 8.985 -18.301 239 HG13 ILE 37 2HG1 ILE 37 2.551 8.644 -16.689 240 HG21 ILE 37 1HG2 ILE 37 0.641 5.843 -16.403 241 HG22 ILE 37 2HG2 ILE 37 1.535 6.961 -15.373 242 HG23 ILE 37 3HG2 ILE 37 -0.227 6.928 -15.318 243 HD11 ILE 37 1HD1 ILE 37 3.824 7.288 -18.062 244 HD12 ILE 37 2HD1 ILE 37 2.579 6.191 -17.462 245 HD13 ILE 37 3HD1 ILE 37 2.452 6.866 -19.087 246 H LEU 38 H LEU 38 -1.405 5.162 -18.681 247 HA LEU 38 HA LEU 38 -4.056 5.666 -18.141 248 HB2 LEU 38 1HB LEU 38 -2.633 3.084 -17.524 249 HB3 LEU 38 2HB LEU 38 -4.348 3.294 -17.869 250 HG LEU 38 HG LEU 38 -2.144 3.812 -19.861 251 HD11 LEU 38 1HD1 LEU 38 -3.659 1.347 -19.163 252 HD12 LEU 38 2HD1 LEU 38 -1.976 1.539 -19.655 253 HD13 LEU 38 3HD1 LEU 38 -3.264 1.656 -20.854 254 HD21 LEU 38 1HD2 LEU 38 -4.915 4.453 -19.809 255 HD22 LEU 38 2HD2 LEU 38 -4.651 3.210 -21.032 256 HD23 LEU 38 3HD2 LEU 38 -3.743 4.721 -21.099 257 H GLU 39 H GLU 39 -5.327 4.620 -16.284 258 HA GLU 39 HA GLU 39 -5.017 5.994 -13.965 259 HB2 GLU 39 1HB GLU 39 -6.117 3.198 -14.289 260 HB3 GLU 39 2HB GLU 39 -6.331 4.184 -12.849 261 HG2 GLU 39 1HG GLU 39 -7.803 5.607 -13.868 262 HG3 GLU 39 2HG GLU 39 -7.155 5.301 -15.478 263 H TYR 40 H TYR 40 -4.275 5.439 -11.832 264 HA TYR 40 HA TYR 40 -1.732 4.025 -11.919 265 HB2 TYR 40 1HB TYR 40 -3.000 6.001 -10.077 266 HB3 TYR 40 2HB TYR 40 -1.758 4.937 -9.428 267 HD1 TYR 40 1HD TYR 40 0.340 4.742 -11.208 268 HD2 TYR 40 2HD TYR 40 -2.240 8.083 -10.680 269 HE1 TYR 40 1HE TYR 40 2.084 6.223 -12.109 270 HE2 TYR 40 2HE TYR 40 -0.504 9.574 -11.581 271 HH TYR 40 HH TYR 40 2.064 8.572 -13.309 272 H SER 41 H SER 41 -1.163 2.722 -9.910 273 HA SER 41 HA SER 41 -3.440 1.237 -8.831 274 HB2 SER 41 1HB SER 41 -2.512 -0.913 -9.402 275 HB3 SER 41 2HB SER 41 -2.612 0.043 -10.880 276 HG SER 41 HG SER 41 -0.266 -0.133 -9.301 277 H ALA 42 H ALA 42 -3.185 0.654 -6.751 278 HA ALA 42 HA ALA 42 -0.500 0.944 -5.568 279 HB1 ALA 42 1HB ALA 42 -1.658 2.813 -4.776 280 HB2 ALA 42 2HB ALA 42 -3.151 1.903 -4.541 281 HB3 ALA 42 3HB ALA 42 -1.779 1.640 -3.464 282 H TYR 43 H TYR 43 0.219 -0.723 -4.390 283 HA TYR 43 HA TYR 43 -1.715 -2.816 -3.636 284 HB2 TYR 43 1HB TYR 43 1.156 -3.239 -4.489 285 HB3 TYR 43 2HB TYR 43 -0.006 -4.493 -4.074 286 HD1 TYR 43 2HD TYR 43 0.880 -1.936 -6.580 287 HD2 TYR 43 1HD TYR 43 -1.626 -5.249 -5.658 288 HE1 TYR 43 2HE TYR 43 0.173 -2.050 -8.933 289 HE2 TYR 43 1HE TYR 43 -2.339 -5.372 -8.009 290 HH TYR 43 HH TYR 43 -2.477 -3.878 -9.971 291 H LEU 44 H LEU 44 -1.000 -4.186 -1.816 292 HA LEU 44 HA LEU 44 0.964 -3.000 -0.026 293 HB2 LEU 44 1HB LEU 44 -1.116 -1.842 0.519 294 HB3 LEU 44 2HB LEU 44 -1.922 -3.390 0.756 295 HG LEU 44 HG LEU 44 -0.177 -3.779 2.608 296 HD11 LEU 44 1HD1 LEU 44 1.379 -2.054 2.184 297 HD12 LEU 44 2HD1 LEU 44 0.528 -1.596 3.659 298 HD13 LEU 44 3HD1 LEU 44 0.115 -0.825 2.128 299 HD21 LEU 44 1HD2 LEU 44 -2.665 -2.284 2.563 300 HD22 LEU 44 2HD2 LEU 44 -1.638 -1.840 3.927 301 HD23 LEU 44 3HD2 LEU 44 -2.110 -3.523 3.688 302 H ALA 45 H ALA 45 2.011 -4.495 1.155 303 HA ALA 45 HA ALA 45 1.690 -7.234 0.604 304 HB1 ALA 45 1HB ALA 45 3.842 -6.612 1.223 305 HB2 ALA 45 2HB ALA 45 3.283 -5.711 2.632 306 HB3 ALA 45 3HB ALA 45 3.248 -7.474 2.642 307 H ILE 46 H ILE 46 0.793 -8.909 1.753 308 HA ILE 46 HA ILE 46 -0.698 -8.235 4.193 309 HB ILE 46 HB ILE 46 -2.660 -9.349 3.491 310 HG12 ILE 46 1HG1 ILE 46 -1.764 -11.274 2.381 311 HG13 ILE 46 2HG1 ILE 46 -2.796 -10.441 1.224 312 HG21 ILE 46 1HG2 ILE 46 -3.446 -7.825 2.006 313 HG22 ILE 46 2HG2 ILE 46 -1.904 -7.054 2.370 314 HG23 ILE 46 3HG2 ILE 46 -2.080 -8.024 0.908 315 HD11 ILE 46 1HD1 ILE 46 -0.938 -10.997 -0.026 316 HD12 ILE 46 2HD1 ILE 46 -0.610 -9.326 0.434 317 HD13 ILE 46 3HD1 ILE 46 0.181 -10.648 1.292 318 H ARG 47 H ARG 47 -1.569 -10.343 5.220 319 HA ARG 47 HA ARG 47 -0.808 -12.099 6.507 320 HB2 ARG 47 1HB ARG 47 -1.956 -13.084 4.508 321 HB3 ARG 47 2HB ARG 47 -0.377 -13.271 3.756 322 HG2 ARG 47 1HG ARG 47 0.116 -14.539 6.044 323 HG3 ARG 47 2HG ARG 47 -1.627 -14.800 5.954 324 HD2 ARG 47 1HD ARG 47 -1.083 -15.479 3.481 325 HD3 ARG 47 2HD ARG 47 0.536 -15.743 4.128 326 HE ARG 47 HE ARG 47 -0.943 -17.120 5.863 327 HH11 ARG 47 2HH1 ARG 47 -1.024 -17.016 2.384 328 HH12 ARG 47 1HH1 ARG 47 -1.579 -18.649 2.218 329 HH21 ARG 47 2HH2 ARG 47 -1.674 -19.270 5.658 330 HH22 ARG 47 1HH2 ARG 47 -1.950 -19.930 4.081 331 H THR 48 H THR 48 1.248 -10.257 6.245 332 HA THR 48 HA THR 48 3.547 -10.006 6.052 333 HB THR 48 HB THR 48 3.115 -10.831 8.346 334 HG1 THR 48 1HG THR 48 5.207 -10.520 8.388 335 HG21 THR 48 1HG2 THR 48 2.251 -13.075 7.606 336 HG22 THR 48 2HG2 THR 48 3.405 -13.125 8.939 337 HG23 THR 48 3HG2 THR 48 3.924 -13.543 7.306 338 H ALA 49 H ALA 49 2.656 -11.329 3.762 339 HA ALA 49 HA ALA 49 3.209 -12.939 2.185 340 HB1 ALA 49 1HB ALA 49 5.944 -11.857 2.839 341 HB2 ALA 49 2HB ALA 49 5.388 -12.505 1.295 342 HB3 ALA 49 3HB ALA 49 4.730 -10.985 1.902 343 H GLN 50 H GLN 50 2.864 -14.312 4.523 344 HA GLN 50 HA GLN 50 5.057 -15.802 5.429 345 HB2 GLN 50 1HB GLN 50 2.596 -15.589 6.328 346 HB3 GLN 50 2HB GLN 50 2.322 -17.009 5.327 347 HG2 GLN 50 1HG GLN 50 4.196 -18.127 6.534 348 HG3 GLN 50 2HG GLN 50 4.248 -16.740 7.619 349 HE21 GLN 50 1HE2 GLN 50 3.793 -18.214 9.329 350 HE22 GLN 50 2HE2 GLN 50 2.176 -18.752 9.614 351 H MET 51 H MET 51 6.347 -16.933 4.123 352 HA MET 51 HA MET 51 5.084 -18.756 2.182 353 HB2 MET 51 1HB MET 51 7.385 -16.896 1.889 354 HB3 MET 51 2HB MET 51 7.501 -18.453 1.081 355 HG2 MET 51 1HG MET 51 6.612 -16.660 -0.358 356 HG3 MET 51 2HG MET 51 5.511 -18.023 -0.173 357 HE1 MET 51 1HE MET 51 5.023 -15.483 -1.392 358 HE2 MET 51 2HE MET 51 3.350 -15.223 -0.899 359 HE3 MET 51 3HE MET 51 4.600 -14.076 -0.417 360 H GLN 52 H GLN 52 6.917 -20.431 1.466 361 HA GLN 52 HA GLN 52 7.230 -22.287 3.411 362 HB2 GLN 52 1HB GLN 52 9.000 -21.676 1.053 363 HB3 GLN 52 2HB GLN 52 9.292 -23.060 2.098 364 HG2 GLN 52 1HG GLN 52 7.083 -23.938 1.574 365 HG3 GLN 52 2HG GLN 52 6.765 -22.540 0.547 366 HE21 GLN 52 1HE2 GLN 52 7.371 -25.646 0.344 367 HE22 GLN 52 2HE2 GLN 52 8.329 -25.719 -1.091 368 H ASP 53 H ASP 53 9.247 -23.082 4.487 369 HA ASP 53 HA ASP 53 10.140 -21.576 6.492 370 HB2 ASP 53 1HB ASP 53 12.321 -22.859 6.401 371 HB3 ASP 53 2HB ASP 53 10.861 -23.844 6.373 372 H ASN 54 H ASN 54 12.016 -21.793 3.461 373 HA ASN 54 HA ASN 54 13.804 -19.730 4.080 374 HB2 ASN 54 1HB ASN 54 14.532 -19.859 1.836 375 HB3 ASN 54 2HB ASN 54 13.979 -21.486 2.226 376 HD21 ASN 54 1HD2 ASN 54 14.233 -20.097 -0.350 377 HD22 ASN 54 2HD2 ASN 54 12.669 -20.179 -1.078 378 HA PRO 55 HA PRO 55 11.558 -16.007 3.470 379 HB2 PRO 55 1HB PRO 55 13.510 -14.380 2.516 380 HB3 PRO 55 2HB PRO 55 13.434 -14.901 4.203 381 HG2 PRO 55 1HG PRO 55 15.102 -15.976 1.961 382 HG3 PRO 55 2HG PRO 55 15.563 -15.650 3.642 383 HD2 PRO 55 1HD PRO 55 14.982 -18.139 2.746 384 HD3 PRO 55 2HD PRO 55 14.639 -17.618 4.408 385 H SER 56 H SER 56 10.500 -14.804 1.912 386 HA SER 56 HA SER 56 11.278 -15.071 -0.879 387 HB2 SER 56 1HB SER 56 9.693 -16.993 -0.201 388 HB3 SER 56 2HB SER 56 8.444 -15.751 -0.119 389 HG SER 56 HG SER 56 9.980 -16.538 -2.364 390 H GLN 57 H GLN 57 10.087 -13.616 -2.296 391 HA GLN 57 HA GLN 57 9.932 -11.028 -1.383 392 HB2 GLN 57 1HB GLN 57 8.844 -10.465 -3.448 393 HB3 GLN 57 2HB GLN 57 10.012 -11.738 -3.774 394 HG2 GLN 57 1HG GLN 57 8.153 -13.384 -3.677 395 HG3 GLN 57 2HG GLN 57 7.030 -12.034 -3.529 396 HE21 GLN 57 1HE2 GLN 57 7.490 -10.282 -5.275 397 HE22 GLN 57 2HE2 GLN 57 7.636 -10.888 -6.886 398 H LEU 58 H LEU 58 7.807 -9.658 -1.663 399 HA LEU 58 HA LEU 58 5.738 -10.940 -0.003 400 HB2 LEU 58 1HB LEU 58 5.990 -7.986 -0.100 401 HB3 LEU 58 2HB LEU 58 5.475 -9.032 1.221 402 HG LEU 58 HG LEU 58 8.336 -9.116 0.418 403 HD11 LEU 58 1HD1 LEU 58 6.953 -6.717 1.371 404 HD12 LEU 58 2HD1 LEU 58 8.528 -6.892 0.600 405 HD13 LEU 58 3HD1 LEU 58 8.358 -7.184 2.330 406 HD21 LEU 58 1HD2 LEU 58 6.958 -9.145 3.100 407 HD22 LEU 58 2HD2 LEU 58 8.652 -9.514 2.774 408 HD23 LEU 58 3HD2 LEU 58 7.385 -10.582 2.169 409 H VAL 59 H VAL 59 3.755 -11.082 -0.825 410 HA VAL 59 HA VAL 59 3.216 -9.946 -3.433 411 HB VAL 59 HB VAL 59 1.495 -11.692 -1.667 412 HG11 VAL 59 1HG1 VAL 59 0.924 -10.236 -4.109 413 HG12 VAL 59 2HG1 VAL 59 0.658 -11.971 -4.290 414 HG13 VAL 59 3HG1 VAL 59 -0.172 -11.078 -3.014 415 HG21 VAL 59 1HG2 VAL 59 3.460 -12.877 -2.371 416 HG22 VAL 59 2HG2 VAL 59 2.092 -13.453 -3.323 417 HG23 VAL 59 3HG2 VAL 59 3.250 -12.330 -4.034 418 H PHE 60 H PHE 60 2.608 -7.880 -3.518 419 HA PHE 60 HA PHE 60 1.035 -6.712 -1.369 420 HB2 PHE 60 1HB PHE 60 2.221 -5.486 -3.868 421 HB3 PHE 60 2HB PHE 60 1.365 -4.588 -2.619 422 HD1 PHE 60 1HD PHE 60 4.208 -6.982 -2.945 423 HD2 PHE 60 2HD PHE 60 2.615 -3.545 -1.004 424 HE1 PHE 60 1HE PHE 60 6.316 -6.709 -1.706 425 HE2 PHE 60 2HE PHE 60 4.721 -3.266 0.238 426 HZ PHE 60 HZ PHE 60 6.575 -4.848 -0.113 427 H MET 61 H MET 61 -1.103 -6.802 -1.408 428 HA MET 61 HA MET 61 -2.504 -7.324 -3.898 429 HB2 MET 61 1HB MET 61 -4.487 -7.601 -2.470 430 HB3 MET 61 2HB MET 61 -3.147 -8.601 -1.925 431 HG2 MET 61 1HG MET 61 -3.895 -7.764 0.061 432 HG3 MET 61 2HG MET 61 -2.659 -6.578 -0.351 433 HE1 MET 61 1HE MET 61 -5.233 -4.496 1.489 434 HE2 MET 61 2HE MET 61 -5.925 -6.118 1.532 435 HE3 MET 61 3HE MET 61 -4.185 -5.895 1.729 436 H ARG 62 H ARG 62 -3.897 -5.948 -4.913 437 HA ARG 62 HA ARG 62 -3.494 -3.216 -4.790 438 HB2 ARG 62 1HB ARG 62 -4.591 -4.522 -6.652 439 HB3 ARG 62 2HB ARG 62 -6.063 -4.519 -5.690 440 HG2 ARG 62 1HG ARG 62 -5.946 -2.013 -5.697 441 HG3 ARG 62 2HG ARG 62 -4.637 -2.153 -6.872 442 HD2 ARG 62 1HD ARG 62 -7.268 -3.512 -7.324 443 HD3 ARG 62 2HD ARG 62 -7.049 -1.810 -7.726 444 HE ARG 62 HE ARG 62 -5.074 -3.619 -8.828 445 HH11 ARG 62 2HH1 ARG 62 -8.079 -1.926 -9.306 446 HH12 ARG 62 1HH1 ARG 62 -8.000 -2.008 -11.035 447 HH21 ARG 62 2HH2 ARG 62 -4.960 -3.732 -11.103 448 HH22 ARG 62 1HH2 ARG 62 -6.226 -3.036 -12.056 449 H ILE 63 H ILE 63 -4.056 -1.706 -3.376 450 HA ILE 63 HA ILE 63 -6.212 -2.302 -1.467 451 HB ILE 63 HB ILE 63 -5.211 -0.583 -0.025 452 HG12 ILE 63 1HG1 ILE 63 -2.934 -0.490 -2.007 453 HG13 ILE 63 2HG1 ILE 63 -4.214 0.716 -1.957 454 HG21 ILE 63 1HG2 ILE 63 -3.799 -2.070 0.888 455 HG22 ILE 63 2HG2 ILE 63 -4.346 -3.127 -0.413 456 HG23 ILE 63 3HG2 ILE 63 -2.843 -2.220 -0.586 457 HD11 ILE 63 1HD1 ILE 63 -2.039 0.184 0.009 458 HD12 ILE 63 2HD1 ILE 63 -2.551 1.706 -0.719 459 HD13 ILE 63 3HD1 ILE 63 -3.537 0.952 0.533 460 H TYR 64 H TYR 64 -5.012 0.103 -3.733 461 HA TYR 64 HA TYR 64 -7.616 1.464 -3.557 462 HB2 TYR 64 1HB TYR 64 -6.094 2.953 -2.493 463 HB3 TYR 64 2HB TYR 64 -4.870 2.701 -3.733 464 HD1 TYR 64 1HD TYR 64 -8.158 4.253 -3.051 465 HD2 TYR 64 2HD TYR 64 -4.852 4.001 -5.717 466 HE1 TYR 64 1HE TYR 64 -8.999 6.216 -4.270 467 HE2 TYR 64 2HE TYR 64 -5.683 5.965 -6.943 468 HH TYR 64 HH TYR 64 -8.582 7.042 -6.938 469 H CYS 65 H CYS 65 -8.577 1.989 -5.460 470 HA CYS 65 HA CYS 65 -7.070 1.456 -7.932 471 HB2 CYS 65 1HB CYS 65 -9.102 0.478 -8.913 472 HB3 CYS 65 2HB CYS 65 -8.573 -0.424 -7.498 473 HG CYS 65 HG CYS 65 -11.033 -0.518 -6.717 474 H GLY 66 H GLY 66 -6.922 3.239 -9.111 475 HA2 GLY 66 1HA GLY 66 -9.083 4.743 -10.022 476 HA3 GLY 66 2HA GLY 66 -8.445 5.572 -8.611 477 H LEU 67 H LEU 67 -7.957 7.336 -10.053 478 HA LEU 67 HA LEU 67 -5.495 6.866 -11.604 479 HB2 LEU 67 1HB LEU 67 -6.152 8.571 -13.145 480 HB3 LEU 67 2HB LEU 67 -7.461 7.399 -13.006 481 HG LEU 67 HG LEU 67 -7.468 10.004 -11.501 482 HD11 LEU 67 1HD1 LEU 67 -8.767 9.482 -14.168 483 HD12 LEU 67 2HD1 LEU 67 -7.271 10.392 -13.954 484 HD13 LEU 67 3HD1 LEU 67 -8.773 10.986 -13.246 485 HD21 LEU 67 1HD2 LEU 67 -9.111 8.759 -10.539 486 HD22 LEU 67 2HD2 LEU 67 -9.365 7.772 -11.979 487 HD23 LEU 67 3HD2 LEU 67 -10.023 9.407 -11.902 488 H LYS 68 H LYS 68 -7.303 9.146 -9.598 489 HA LYS 68 HA LYS 68 -5.725 11.311 -9.403 490 HB2 LYS 68 1HB LYS 68 -7.796 10.626 -8.002 491 HB3 LYS 68 2HB LYS 68 -6.621 9.981 -6.862 492 HG2 LYS 68 1HG LYS 68 -6.876 12.059 -5.990 493 HG3 LYS 68 2HG LYS 68 -5.575 12.396 -7.134 494 HD2 LYS 68 1HD LYS 68 -6.994 14.082 -7.708 495 HD3 LYS 68 2HD LYS 68 -7.641 12.818 -8.756 496 HE2 LYS 68 1HE LYS 68 -8.688 13.292 -5.979 497 HE3 LYS 68 2HE LYS 68 -9.311 14.166 -7.377 498 HZ1 LYS 68 1HZ LYS 68 -9.879 12.037 -8.392 499 HZ2 LYS 68 2HZ LYS 68 -10.659 12.232 -6.905 500 HZ3 LYS 68 3HZ LYS 68 -9.311 11.216 -7.026 501 H THR 69 H THR 69 -3.840 11.956 -8.404 502 HA THR 69 HA THR 69 -1.870 9.889 -8.009 503 HB THR 69 HB THR 69 -0.311 11.805 -7.589 504 HG1 THR 69 1HG THR 69 -2.538 13.119 -7.162 505 HG21 THR 69 1HG2 THR 69 -1.099 10.831 -9.912 506 HG22 THR 69 2HG2 THR 69 -0.050 12.246 -9.828 507 HG23 THR 69 3HG2 THR 69 -1.781 12.445 -10.101 508 H SER 70 H SER 70 -3.926 9.742 -6.098 509 HA SER 70 HA SER 70 -2.447 9.542 -3.718 510 HB2 SER 70 1HB SER 70 -2.938 12.124 -4.044 511 HB3 SER 70 2HB SER 70 -4.511 11.679 -3.383 512 HG SER 70 HG SER 70 -3.168 12.224 -1.687 513 H CYS 71 H CYS 71 -3.731 8.762 -1.917 514 HA CYS 71 HA CYS 71 -6.524 8.199 -2.328 515 HB2 CYS 71 1HB CYS 71 -6.273 5.738 -2.201 516 HB3 CYS 71 2HB CYS 71 -5.576 6.411 -3.669 517 HG CYS 71 HG CYS 71 -3.025 6.454 -1.903 518 H THR 72 H THR 72 -7.332 6.718 -0.489 519 HA THR 72 HA THR 72 -5.840 7.355 1.973 520 HB THR 72 HB THR 72 -8.846 7.337 1.634 521 HG1 THR 72 1HG THR 72 -7.654 9.642 2.502 522 HG21 THR 72 1HG2 THR 72 -8.505 6.668 3.837 523 HG22 THR 72 2HG2 THR 72 -8.631 8.421 3.980 524 HG23 THR 72 3HG2 THR 72 -7.048 7.645 4.012 525 H VAL 73 H VAL 73 -5.581 5.754 3.439 526 HA VAL 73 HA VAL 73 -6.727 3.130 2.752 527 HB VAL 73 HB VAL 73 -4.252 3.750 4.371 528 HG11 VAL 73 1HG1 VAL 73 -5.653 1.641 4.892 529 HG12 VAL 73 2HG1 VAL 73 -5.029 1.044 3.353 530 HG13 VAL 73 3HG1 VAL 73 -3.914 1.471 4.651 531 HG21 VAL 73 1HG2 VAL 73 -3.179 3.870 2.432 532 HG22 VAL 73 2HG2 VAL 73 -3.674 2.216 2.074 533 HG23 VAL 73 3HG2 VAL 73 -4.678 3.568 1.553 534 H THR 74 H THR 74 -7.917 2.018 4.206 535 HA THR 74 HA THR 74 -8.651 3.415 6.663 536 HB THR 74 HB THR 74 -10.468 1.714 6.815 537 HG1 THR 74 1HG THR 74 -8.987 0.577 4.832 538 HG21 THR 74 1HG2 THR 74 -11.800 2.600 4.989 539 HG22 THR 74 2HG2 THR 74 -10.343 3.141 4.156 540 HG23 THR 74 3HG2 THR 74 -10.812 3.884 5.684 541 H ALA 75 H ALA 75 -8.483 2.528 8.706 542 HA ALA 75 HA ALA 75 -6.281 1.095 9.417 543 HB1 ALA 75 1HB ALA 75 -7.767 2.293 10.986 544 HB2 ALA 75 2HB ALA 75 -8.924 0.967 10.863 545 HB3 ALA 75 3HB ALA 75 -7.326 0.682 11.551 546 H GLY 76 H GLY 76 -9.548 -0.285 8.992 547 HA2 GLY 76 1HA GLY 76 -9.258 -2.880 9.551 548 HA3 GLY 76 2HA GLY 76 -10.108 -2.362 8.103 549 H GLN 77 H GLN 77 -8.016 -1.408 6.567 550 HA GLN 77 HA GLN 77 -6.913 -3.868 5.605 551 HB2 GLN 77 1HB GLN 77 -6.629 -0.993 4.756 552 HB3 GLN 77 2HB GLN 77 -5.718 -2.284 3.984 553 HG2 GLN 77 1HG GLN 77 -7.799 -3.386 3.352 554 HG3 GLN 77 2HG GLN 77 -8.718 -2.102 4.136 555 HE21 GLN 77 1HE2 GLN 77 -7.070 -3.098 1.326 556 HE22 GLN 77 2HE2 GLN 77 -7.299 -1.659 0.399 557 H LEU 78 H LEU 78 -5.576 -0.957 7.129 558 HA LEU 78 HA LEU 78 -2.900 -1.392 7.007 559 HB2 LEU 78 1HB LEU 78 -4.674 -0.236 9.088 560 HB3 LEU 78 2HB LEU 78 -2.992 -0.538 9.520 561 HG LEU 78 HG LEU 78 -3.845 1.152 7.174 562 HD11 LEU 78 1HD1 LEU 78 -2.684 2.725 9.195 563 HD12 LEU 78 2HD1 LEU 78 -3.933 1.750 9.968 564 HD13 LEU 78 3HD1 LEU 78 -4.341 2.778 8.594 565 HD21 LEU 78 1HD2 LEU 78 -1.622 1.710 6.916 566 HD22 LEU 78 2HD2 LEU 78 -1.515 0.008 7.364 567 HD23 LEU 78 3HD2 LEU 78 -1.206 1.259 8.569 568 H ALA 79 H ALA 79 -5.205 -3.065 9.073 569 HA ALA 79 HA ALA 79 -3.461 -4.395 10.780 570 HB1 ALA 79 1HB ALA 79 -5.835 -4.431 11.159 571 HB2 ALA 79 2HB ALA 79 -6.103 -5.315 9.657 572 HB3 ALA 79 3HB ALA 79 -5.258 -6.090 10.997 573 H ASN 80 H ASN 80 -4.533 -5.260 7.521 574 HA ASN 80 HA ASN 80 -3.144 -7.765 7.499 575 HB2 ASN 80 1HB ASN 80 -3.823 -7.933 5.201 576 HB3 ASN 80 2HB ASN 80 -5.170 -7.252 6.108 577 HD21 ASN 80 1HD2 ASN 80 -6.182 -5.803 4.938 578 HD22 ASN 80 2HD2 ASN 80 -5.446 -4.615 3.922 579 H ALA 81 H ALA 81 -2.343 -4.482 6.755 580 HA ALA 81 HA ALA 81 -0.236 -4.774 4.975 581 HB1 ALA 81 1HB ALA 81 -0.282 -2.570 5.203 582 HB2 ALA 81 2HB ALA 81 -1.267 -2.715 6.659 583 HB3 ALA 81 3HB ALA 81 0.492 -2.732 6.780 584 H HIS 82 H HIS 82 1.762 -5.579 5.101 585 HA HIS 82 HA HIS 82 2.619 -6.965 7.434 586 HB2 HIS 82 1HB HIS 82 3.251 -7.852 5.302 587 HB3 HIS 82 2HB HIS 82 3.998 -6.331 4.824 588 HD1 HIS 82 1HD HIS 82 4.493 -8.853 7.641 589 HD2 HIS 82 2HD HIS 82 6.679 -6.440 5.060 590 HE1 HIS 82 1HE HIS 82 6.908 -9.334 8.154 591 HE2 HIS 82 2HE HIS 82 8.211 -7.801 6.640 592 H ILE 83 H ILE 83 4.080 -6.420 8.973 593 HA ILE 83 HA ILE 83 5.044 -3.644 8.935 594 HB ILE 83 HB ILE 83 4.701 -5.533 11.267 595 HG12 ILE 83 1HG1 ILE 83 2.580 -4.692 10.344 596 HG13 ILE 83 2HG1 ILE 83 2.895 -4.021 11.940 597 HG21 ILE 83 1HG2 ILE 83 5.217 -3.557 12.656 598 HG22 ILE 83 2HG2 ILE 83 6.577 -4.065 11.656 599 HG23 ILE 83 3HG2 ILE 83 5.616 -2.662 11.190 600 HD11 ILE 83 1HD1 ILE 83 2.005 -2.350 10.409 601 HD12 ILE 83 2HD1 ILE 83 3.641 -1.942 10.928 602 HD13 ILE 83 3HD1 ILE 83 3.368 -2.615 9.322 603 H ASP 84 H ASP 84 6.991 -3.701 7.934 604 HA ASP 84 HA ASP 84 8.896 -5.795 8.344 605 HB2 ASP 84 1HB ASP 84 8.574 -4.102 6.333 606 HB3 ASP 84 2HB ASP 84 9.710 -3.132 7.265 607 H TYR 85 H TYR 85 9.555 -5.988 10.428 608 HA TYR 85 HA TYR 85 10.283 -3.674 11.994 609 HB2 TYR 85 1HB TYR 85 10.171 -6.627 12.495 610 HB3 TYR 85 2HB TYR 85 11.064 -5.589 13.601 611 HD1 TYR 85 1HD TYR 85 9.702 -3.437 14.389 612 HD2 TYR 85 2HD TYR 85 7.953 -7.046 12.968 613 HE1 TYR 85 1HE TYR 85 7.612 -2.877 15.558 614 HE2 TYR 85 2HE TYR 85 5.857 -6.495 14.132 615 HH TYR 85 HH TYR 85 5.413 -3.400 15.750 616 H THR 86 H THR 86 11.777 -4.567 9.492 617 HA THR 86 HA THR 86 14.322 -5.513 10.169 618 HB THR 86 HB THR 86 15.077 -4.421 8.037 619 HG1 THR 86 1HG THR 86 12.550 -3.267 8.315 620 HG21 THR 86 1HG2 THR 86 12.659 -6.201 8.122 621 HG22 THR 86 2HG2 THR 86 14.337 -6.628 7.786 622 HG23 THR 86 3HG2 THR 86 13.399 -5.731 6.592 623 H SER 87 H SER 87 14.639 -4.301 12.196 624 HA SER 87 HA SER 87 15.646 -2.685 13.443 625 HB2 SER 87 1HB SER 87 16.969 -2.129 10.780 626 HB3 SER 87 2HB SER 87 17.474 -1.396 12.302 627 HG SER 87 HG SER 87 18.539 -3.444 11.526 628 H ARG 88 H ARG 88 13.117 -2.092 11.973 629 HA ARG 88 HA ARG 88 12.747 0.549 12.803 630 HB2 ARG 88 1HB ARG 88 14.210 1.120 10.918 631 HB3 ARG 88 2HB ARG 88 13.138 0.262 9.819 632 HG2 ARG 88 1HG ARG 88 11.330 1.857 10.455 633 HG3 ARG 88 2HG ARG 88 12.534 2.768 11.369 634 HD2 ARG 88 1HD ARG 88 12.699 2.157 8.421 635 HD3 ARG 88 2HD ARG 88 12.131 3.680 9.104 636 HE ARG 88 HE ARG 88 14.841 2.846 8.790 637 HH11 ARG 88 2HH1 ARG 88 12.701 4.734 10.784 638 HH12 ARG 88 1HH1 ARG 88 13.949 5.797 11.344 639 HH21 ARG 88 2HH2 ARG 88 16.493 4.239 9.521 640 HH22 ARG 88 1HH2 ARG 88 16.105 5.515 10.624 641 HA PRO 89 HA PRO 89 8.817 -1.604 12.284 642 HB2 PRO 89 1HB PRO 89 7.495 -0.082 14.102 643 HB3 PRO 89 2HB PRO 89 8.546 -1.428 14.558 644 HG2 PRO 89 1HG PRO 89 9.131 1.508 14.532 645 HG3 PRO 89 2HG PRO 89 9.549 0.295 15.756 646 HD2 PRO 89 1HD PRO 89 11.330 1.189 13.922 647 HD3 PRO 89 2HD PRO 89 11.366 -0.467 14.560 648 H ALA 90 H ALA 90 8.427 -0.854 10.165 649 HA ALA 90 HA ALA 90 6.648 1.466 10.059 650 HB1 ALA 90 1HB ALA 90 9.155 1.907 9.340 651 HB2 ALA 90 2HB ALA 90 8.589 1.200 7.826 652 HB3 ALA 90 3HB ALA 90 7.800 2.637 8.478 653 H ILE 91 H ILE 91 5.594 1.589 7.815 654 HA ILE 91 HA ILE 91 4.775 -1.131 7.086 655 HB ILE 91 HB ILE 91 3.429 1.525 6.588 656 HG12 ILE 91 1HG1 ILE 91 2.187 -0.702 8.127 657 HG13 ILE 91 2HG1 ILE 91 3.475 0.208 8.908 658 HG21 ILE 91 1HG2 ILE 91 2.052 -1.051 6.065 659 HG22 ILE 91 2HG2 ILE 91 1.842 0.523 5.299 660 HG23 ILE 91 3HG2 ILE 91 3.224 -0.486 4.875 661 HD11 ILE 91 1HD1 ILE 91 1.689 1.422 9.591 662 HD12 ILE 91 2HD1 ILE 91 2.024 2.255 8.073 663 HD13 ILE 91 3HD1 ILE 91 0.740 1.048 8.153 664 H VAL 92 H VAL 92 5.007 -1.934 5.067 665 HA VAL 92 HA VAL 92 6.661 -0.404 3.217 666 HB VAL 92 HB VAL 92 5.760 -3.281 3.024 667 HG11 VAL 92 1HG1 VAL 92 7.577 -3.498 1.397 668 HG12 VAL 92 2HG1 VAL 92 6.378 -2.314 0.873 669 HG13 VAL 92 3HG1 VAL 92 7.916 -1.774 1.547 670 HG21 VAL 92 1HG2 VAL 92 7.138 -2.824 5.026 671 HG22 VAL 92 2HG2 VAL 92 7.941 -3.886 3.870 672 HG23 VAL 92 3HG2 VAL 92 8.405 -2.188 3.978 673 H PHE 93 H PHE 93 6.075 0.152 1.152 674 HA PHE 93 HA PHE 93 3.354 -0.498 0.273 675 HB2 PHE 93 1HB PHE 93 4.543 2.261 0.532 676 HB3 PHE 93 2HB PHE 93 3.184 1.924 -0.536 677 HD1 PHE 93 2HD PHE 93 1.126 0.793 0.547 678 HD2 PHE 93 1HD PHE 93 4.165 2.808 2.743 679 HE1 PHE 93 2HE PHE 93 -0.427 1.069 2.436 680 HE2 PHE 93 1HE PHE 93 2.618 3.087 4.635 681 HZ PHE 93 HZ PHE 93 0.318 2.218 4.483 682 H ARG 94 H ARG 94 3.018 0.177 -2.060 683 HA ARG 94 HA ARG 94 5.426 0.338 -3.665 684 HB2 ARG 94 1HB ARG 94 3.748 -2.120 -3.463 685 HB3 ARG 94 2HB ARG 94 4.399 -1.684 -5.038 686 HG2 ARG 94 1HG ARG 94 6.631 -1.463 -3.602 687 HG3 ARG 94 2HG ARG 94 5.781 -2.651 -2.612 688 HD2 ARG 94 1HD ARG 94 6.285 -2.893 -5.576 689 HD3 ARG 94 2HD ARG 94 7.227 -3.691 -4.318 690 HE ARG 94 HE ARG 94 4.771 -4.561 -3.759 691 HH11 ARG 94 2HH1 ARG 94 6.480 -4.340 -6.784 692 HH12 ARG 94 1HH1 ARG 94 5.672 -5.700 -7.490 693 HH21 ARG 94 2HH2 ARG 94 3.700 -6.353 -4.678 694 HH22 ARG 94 1HH2 ARG 94 4.090 -6.844 -6.291 695 H ILE 95 H ILE 95 5.080 1.271 -5.631 696 HA ILE 95 HA ILE 95 2.348 1.555 -6.619 697 HB ILE 95 HB ILE 95 4.134 3.942 -6.133 698 HG12 ILE 95 1HG1 ILE 95 1.442 3.423 -4.885 699 HG13 ILE 95 2HG1 ILE 95 2.928 2.849 -4.136 700 HG21 ILE 95 1HG2 ILE 95 1.284 4.172 -6.944 701 HG22 ILE 95 2HG2 ILE 95 2.641 5.253 -7.258 702 HG23 ILE 95 3HG2 ILE 95 2.475 3.757 -8.178 703 HD11 ILE 95 1HD1 ILE 95 2.920 5.685 -4.893 704 HD12 ILE 95 2HD1 ILE 95 1.790 5.230 -3.618 705 HD13 ILE 95 3HD1 ILE 95 3.511 4.895 -3.432 706 H SER 96 H SER 96 2.203 1.712 -8.811 707 HA SER 96 HA SER 96 4.571 2.279 -10.397 708 HB2 SER 96 1HB SER 96 4.563 -0.210 -9.869 709 HB3 SER 96 2HB SER 96 3.095 -0.320 -10.840 710 HG SER 96 HG SER 96 5.246 0.997 -11.998 711 H ALA 97 H ALA 97 4.038 2.291 -12.766 712 HA ALA 97 HA ALA 97 1.257 3.188 -13.158 713 HB1 ALA 97 1HB ALA 97 3.758 4.478 -13.732 714 HB2 ALA 97 2HB ALA 97 2.826 4.262 -15.214 715 HB3 ALA 97 3HB ALA 97 2.118 5.116 -13.843 716 H LYS 98 H LYS 98 0.493 3.004 -15.447 717 HA LYS 98 HA LYS 98 1.599 0.611 -16.760 718 HB2 LYS 98 1HB LYS 98 -0.689 0.462 -15.435 719 HB3 LYS 98 2HB LYS 98 -1.328 1.179 -16.908 720 HG2 LYS 98 1HG LYS 98 -0.050 -0.737 -18.096 721 HG3 LYS 98 2HG LYS 98 -0.062 -1.494 -16.501 722 HD2 LYS 98 1HD LYS 98 -2.525 -1.228 -16.444 723 HD3 LYS 98 2HD LYS 98 -2.464 -0.589 -18.088 724 HE2 LYS 98 1HE LYS 98 -1.372 -3.291 -17.338 725 HE3 LYS 98 2HE LYS 98 -3.038 -3.044 -17.858 726 HZ1 LYS 98 1HZ LYS 98 -1.238 -1.796 -19.655 727 HZ2 LYS 98 2HZ LYS 98 -2.389 -2.996 -19.962 728 HZ3 LYS 98 3HZ LYS 98 -0.830 -3.427 -19.467 729 H ASN 99 H ASN 99 2.297 1.071 -18.731 730 HA ASN 99 HA ASN 99 1.251 3.423 -20.115 731 HB2 ASN 99 1HB ASN 99 3.751 1.799 -20.312 732 HB3 ASN 99 2HB ASN 99 3.212 2.684 -21.736 733 HD21 ASN 99 1HD2 ASN 99 5.518 2.982 -19.831 734 HD22 ASN 99 2HD2 ASN 99 5.472 4.644 -19.361 735 H GLU 100 H GLU 100 -0.010 0.630 -19.864 736 HA GLU 100 HA GLU 100 -1.431 -0.602 -21.154 737 HB2 GLU 100 1HB GLU 100 -1.840 1.660 -22.254 738 HB3 GLU 100 2HB GLU 100 -0.696 1.156 -23.490 739 HG2 GLU 100 1HG GLU 100 -2.238 -0.936 -23.666 740 HG3 GLU 100 2HG GLU 100 -3.425 0.117 -22.898 741 H LYS 101 H LYS 101 1.460 -1.113 -20.917 742 HA LYS 101 HA LYS 101 1.707 -2.934 -23.208 743 HB2 LYS 101 1HB LYS 101 3.680 -0.911 -22.243 744 HB3 LYS 101 2HB LYS 101 4.285 -2.439 -22.870 745 HG2 LYS 101 1HG LYS 101 2.280 -1.007 -24.511 746 HG3 LYS 101 2HG LYS 101 3.897 -0.306 -24.406 747 HD2 LYS 101 1HD LYS 101 4.136 -1.697 -26.223 748 HD3 LYS 101 2HD LYS 101 4.664 -2.759 -24.915 749 HE2 LYS 101 1HE LYS 101 2.474 -3.793 -24.834 750 HE3 LYS 101 2HE LYS 101 1.874 -2.679 -26.060 751 HZ1 LYS 101 1HZ LYS 101 4.176 -3.946 -27.041 752 HZ2 LYS 101 2HZ LYS 101 2.591 -4.051 -27.621 753 HZ3 LYS 101 3HZ LYS 101 3.134 -5.138 -26.444 754 H GLY 102 H GLY 102 2.813 -2.107 -19.941 755 HA2 GLY 102 1HA GLY 102 2.359 -4.510 -18.733 756 HA3 GLY 102 2HA GLY 102 3.939 -4.712 -19.475 757 H TYR 103 H TYR 103 2.245 -3.563 -16.788 758 HA TYR 103 HA TYR 103 3.469 -1.475 -15.689 759 HB2 TYR 103 1HB TYR 103 2.660 -4.091 -14.513 760 HB3 TYR 103 2HB TYR 103 3.583 -2.985 -13.501 761 HD1 TYR 103 2HD TYR 103 2.666 -0.697 -13.040 762 HD2 TYR 103 1HD TYR 103 0.363 -3.719 -14.955 763 HE1 TYR 103 2HE TYR 103 0.609 0.544 -12.512 764 HE2 TYR 103 1HE TYR 103 -1.700 -2.485 -14.434 765 HH TYR 103 HH TYR 103 -2.102 0.292 -13.922 766 H GLY 104 H GLY 104 5.465 -0.786 -15.276 767 HA2 GLY 104 1HA GLY 104 7.696 -2.604 -15.706 768 HA3 GLY 104 2HA GLY 104 7.792 -0.859 -15.523 769 HA PRO 105 HA PRO 105 9.548 -2.334 -11.622 770 HB2 PRO 105 1HB PRO 105 10.886 -0.028 -11.110 771 HB3 PRO 105 2HB PRO 105 11.503 -1.275 -12.200 772 HG2 PRO 105 1HG PRO 105 10.082 1.277 -12.853 773 HG3 PRO 105 2HG PRO 105 11.498 0.553 -13.637 774 HD2 PRO 105 1HD PRO 105 9.002 0.354 -14.668 775 HD3 PRO 105 2HD PRO 105 10.221 -0.921 -14.866 776 H ALA 106 H ALA 106 8.934 -1.981 -9.526 777 HA ALA 106 HA ALA 106 6.990 0.189 -9.079 778 HB1 ALA 106 1HB ALA 106 6.098 -2.150 -8.990 779 HB2 ALA 106 2HB ALA 106 7.118 -2.417 -7.575 780 HB3 ALA 106 3HB ALA 106 5.841 -1.202 -7.524 781 H THR 107 H THR 107 7.592 1.722 -7.708 782 HA THR 107 HA THR 107 10.022 1.516 -6.209 783 HB THR 107 HB THR 107 7.922 3.683 -6.022 784 HG1 THR 107 1HG THR 107 9.268 4.734 -7.600 785 HG21 THR 107 1HG2 THR 107 10.766 4.332 -5.704 786 HG22 THR 107 2HG2 THR 107 10.112 3.288 -4.442 787 HG23 THR 107 3HG2 THR 107 9.372 4.856 -4.762 788 H GLN 108 H GLN 108 10.308 1.432 -3.995 789 HA GLN 108 HA GLN 108 7.931 0.633 -2.449 790 HB2 GLN 108 1HB GLN 108 9.892 -1.027 -2.894 791 HB3 GLN 108 2HB GLN 108 10.730 -0.099 -1.657 792 HG2 GLN 108 1HG GLN 108 9.236 -0.734 0.008 793 HG3 GLN 108 2HG GLN 108 8.005 -1.226 -1.154 794 HE21 GLN 108 1HE2 GLN 108 7.789 -3.319 -1.440 795 HE22 GLN 108 2HE2 GLN 108 8.996 -4.520 -1.147 796 H ILE 109 H ILE 109 7.989 1.150 -0.135 797 HA ILE 109 HA ILE 109 9.797 3.190 0.784 798 HB ILE 109 HB ILE 109 8.247 4.555 -0.538 799 HG12 ILE 109 1HG1 ILE 109 7.616 5.025 2.369 800 HG13 ILE 109 2HG1 ILE 109 9.238 5.270 1.731 801 HG21 ILE 109 1HG2 ILE 109 5.874 4.760 0.387 802 HG22 ILE 109 2HG2 ILE 109 6.248 3.337 -0.583 803 HG23 ILE 109 3HG2 ILE 109 6.180 3.212 1.174 804 HD11 ILE 109 1HD1 ILE 109 8.152 6.817 0.029 805 HD12 ILE 109 2HD1 ILE 109 6.723 6.751 1.061 806 HD13 ILE 109 3HD1 ILE 109 8.243 7.379 1.698 807 H ARG 110 H ARG 110 9.675 3.545 3.016 808 HA ARG 110 HA ARG 110 7.889 1.696 4.458 809 HB2 ARG 110 1HB ARG 110 10.770 2.406 4.884 810 HB3 ARG 110 2HB ARG 110 9.787 1.886 6.246 811 HG2 ARG 110 1HG ARG 110 10.875 -0.041 5.460 812 HG3 ARG 110 2HG ARG 110 9.211 -0.162 4.885 813 HD2 ARG 110 1HD ARG 110 10.415 -0.733 2.999 814 HD3 ARG 110 2HD ARG 110 10.141 0.991 2.752 815 HE ARG 110 HE ARG 110 12.395 1.324 2.900 816 HH11 ARG 110 2HH1 ARG 110 11.626 -1.787 4.259 817 HH12 ARG 110 1HH1 ARG 110 13.282 -2.252 4.466 818 HH21 ARG 110 2HH2 ARG 110 14.580 0.724 3.167 819 HH22 ARG 110 1HH2 ARG 110 14.962 -0.822 3.845 820 H TRP 111 H TRP 111 6.328 2.808 5.424 821 HA TRP 111 HA TRP 111 6.915 5.488 6.465 822 HB2 TRP 111 1HB TRP 111 5.008 5.244 4.888 823 HB3 TRP 111 2HB TRP 111 4.229 4.162 6.039 824 HD1 TRP 111 HD TRP 111 5.591 7.806 6.055 825 HE1 TRP 111 1HE TRP 111 3.986 9.237 7.470 826 HE3 TRP 111 3HE TRP 111 2.332 4.153 7.529 827 HZ2 TRP 111 2HZ TRP 111 1.648 8.866 9.008 828 HZ3 TRP 111 3HZ TRP 111 0.439 4.774 8.972 829 HH2 TRP 111 HH TRP 111 0.106 7.082 9.696 830 H LEU 112 H LEU 112 7.646 5.365 8.500 831 HA LEU 112 HA LEU 112 7.241 3.365 10.350 832 HB2 LEU 112 1HB LEU 112 7.816 6.291 10.645 833 HB3 LEU 112 2HB LEU 112 7.628 5.258 12.061 834 HG LEU 112 HG LEU 112 9.616 4.586 9.919 835 HD11 LEU 112 1HD1 LEU 112 11.254 5.733 11.566 836 HD12 LEU 112 2HD1 LEU 112 9.834 6.649 12.071 837 HD13 LEU 112 3HD1 LEU 112 10.375 6.717 10.394 838 HD21 LEU 112 1HD2 LEU 112 9.617 2.801 11.307 839 HD22 LEU 112 2HD2 LEU 112 8.980 3.720 12.671 840 HD23 LEU 112 3HD2 LEU 112 10.691 3.829 12.255 841 H GLN 113 H GLN 113 6.050 3.577 12.469 842 HA GLN 113 HA GLN 113 3.261 3.869 11.926 843 HB2 GLN 113 1HB GLN 113 4.907 3.040 14.272 844 HB3 GLN 113 2HB GLN 113 3.234 3.507 14.552 845 HG2 GLN 113 1HG GLN 113 2.406 1.762 13.234 846 HG3 GLN 113 2HG GLN 113 3.973 1.472 12.481 847 HE21 GLN 113 1HE2 GLN 113 2.762 1.711 15.812 848 HE22 GLN 113 2HE2 GLN 113 3.468 0.231 16.355 849 H GLY 114 H GLY 114 5.495 5.543 14.147 850 HA2 GLY 114 1HA GLY 114 5.468 7.695 14.953 851 HA3 GLY 114 2HA GLY 114 4.345 8.087 13.660 852 H ASN 115 H ASN 115 2.921 9.320 14.804 853 HA ASN 115 HA ASN 115 1.557 8.005 17.060 854 HB2 ASN 115 1HB ASN 115 2.120 10.913 16.504 855 HB3 ASN 115 2HB ASN 115 0.877 10.413 17.647 856 HD21 ASN 115 1HD2 ASN 115 3.458 11.846 17.979 857 HD22 ASN 115 2HD2 ASN 115 4.311 10.956 19.190 858 H SER 116 H SER 116 -0.736 9.108 17.345 859 HA SER 116 HA SER 116 -2.109 9.834 14.952 860 HB2 SER 116 1HB SER 116 -1.706 7.221 14.919 861 HB3 SER 116 2HB SER 116 -3.079 7.216 16.026 862 HG SER 116 HG SER 116 -3.220 8.668 13.624 863 H LYS 117 H LYS 117 -4.411 10.189 15.316 864 HA LYS 117 HA LYS 117 -5.492 9.969 17.959 865 HB2 LYS 117 1HB LYS 117 -3.901 12.004 17.976 866 HB3 LYS 117 2HB LYS 117 -5.119 12.788 16.979 867 HG2 LYS 117 1HG LYS 117 -5.646 13.476 19.128 868 HG3 LYS 117 2HG LYS 117 -6.766 12.143 18.840 869 HD2 LYS 117 1HD LYS 117 -6.000 11.551 20.908 870 HD3 LYS 117 2HD LYS 117 -4.792 10.738 19.910 871 HE2 LYS 117 1HE LYS 117 -3.164 12.325 20.367 872 HE3 LYS 117 2HE LYS 117 -4.346 13.551 20.823 873 HZ1 LYS 117 1HZ LYS 117 -3.451 11.207 22.390 874 HZ2 LYS 117 2HZ LYS 117 -4.863 12.054 22.774 875 HZ3 LYS 117 3HZ LYS 117 -3.368 12.843 22.813 876 H SER 118 H SER 118 -7.710 10.629 18.077 877 HA SER 118 HA SER 118 -8.955 11.074 15.443 878 HB2 SER 118 1HB SER 118 -9.590 9.065 17.563 879 HB3 SER 118 2HB SER 118 -10.919 9.733 16.614 880 HG SER 118 HG SER 118 -10.348 8.392 15.117 881 H GLY 119 H GLY 119 -11.021 12.157 15.478 882 HA2 GLY 119 1HA GLY 119 -11.710 13.542 17.963 883 HA3 GLY 119 2HA GLY 119 -11.255 14.532 16.585 884 HA PRO 120 HA PRO 120 -15.728 12.634 16.305 885 HB2 PRO 120 1HB PRO 120 -17.144 13.815 18.298 886 HB3 PRO 120 2HB PRO 120 -16.362 12.239 18.478 887 HG2 PRO 120 1HG PRO 120 -15.421 14.934 19.380 888 HG3 PRO 120 2HG PRO 120 -15.374 13.386 20.243 889 HD2 PRO 120 1HD PRO 120 -13.207 14.425 18.995 890 HD3 PRO 120 2HD PRO 120 -13.487 12.677 19.124 891 H SER 121 H SER 121 -17.589 13.802 15.533 892 HA SER 121 HA SER 121 -17.657 16.661 15.560 893 HB2 SER 121 1HB SER 121 -16.683 15.225 13.094 894 HB3 SER 121 2HB SER 121 -17.450 16.810 13.004 895 HG SER 121 HG SER 121 -15.769 17.300 14.747 896 H SER 122 H SER 122 -19.460 17.514 14.239 897 HA SER 122 HA SER 122 -21.558 15.476 13.875 898 HB2 SER 122 1HB SER 122 -23.180 17.296 14.475 899 HB3 SER 122 2HB SER 122 -22.106 16.829 15.794 900 HG SER 122 HG SER 122 -21.257 18.899 14.140 901 H GLY 123 H GLY 123 -23.001 15.725 12.147 902 HA2 GLY 123 1HA GLY 123 -21.870 16.893 9.805 903 HA3 GLY 123 2HA GLY 123 -23.449 16.131 9.926 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.759 -3.247 -28.313 2 HA2 GLY 1 1HA GLY 1 10.680 -2.611 -30.552 3 HA3 GLY 1 2HA GLY 1 10.804 -0.930 -30.053 4 H SER 2 H SER 2 13.155 -1.125 -28.506 5 HA SER 2 HA SER 2 15.191 -2.119 -30.354 6 HB2 SER 2 1HB SER 2 14.574 0.371 -30.776 7 HB3 SER 2 2HB SER 2 15.451 0.677 -29.277 8 HG SER 2 HG SER 2 17.290 -0.193 -30.206 9 H SER 3 H SER 3 17.047 -2.782 -29.376 10 HA SER 3 HA SER 3 18.262 -3.674 -27.654 11 HB2 SER 3 1HB SER 3 18.927 -1.203 -27.783 12 HB3 SER 3 2HB SER 3 17.921 -0.974 -26.353 13 HG SER 3 HG SER 3 19.229 -2.600 -25.330 14 H GLY 4 H GLY 4 15.576 -4.337 -27.415 15 HA2 GLY 4 1HA GLY 4 14.578 -5.611 -25.673 16 HA3 GLY 4 2HA GLY 4 15.371 -4.574 -24.498 17 H SER 5 H SER 5 13.575 -4.013 -23.334 18 HA SER 5 HA SER 5 11.825 -2.063 -24.592 19 HB2 SER 5 1HB SER 5 9.781 -3.172 -23.663 20 HB3 SER 5 2HB SER 5 10.557 -4.087 -24.955 21 HG SER 5 HG SER 5 10.195 -5.555 -23.384 22 H SER 6 H SER 6 10.468 -0.924 -22.978 23 HA SER 6 HA SER 6 11.387 -1.131 -20.217 24 HB2 SER 6 1HB SER 6 11.765 1.368 -20.155 25 HB3 SER 6 2HB SER 6 12.962 0.458 -21.076 26 HG SER 6 HG SER 6 11.244 1.011 -22.858 27 H GLY 7 H GLY 7 9.970 -0.225 -18.697 28 HA2 GLY 7 1HA GLY 7 7.277 0.275 -19.769 29 HA3 GLY 7 2HA GLY 7 7.640 -0.287 -18.145 30 HA PRO 8 HA PRO 8 6.741 4.281 -18.024 31 HB2 PRO 8 1HB PRO 8 4.908 4.124 -16.027 32 HB3 PRO 8 2HB PRO 8 4.487 3.943 -17.734 33 HG2 PRO 8 1HG PRO 8 4.937 1.832 -15.660 34 HG3 PRO 8 2HG PRO 8 3.673 1.930 -16.901 35 HD2 PRO 8 1HD PRO 8 5.867 0.367 -17.177 36 HD3 PRO 8 2HD PRO 8 5.064 1.139 -18.560 37 H GLY 9 H GLY 9 8.065 5.502 -16.835 38 HA2 GLY 9 1HA GLY 9 9.815 4.598 -14.918 39 HA3 GLY 9 2HA GLY 9 9.303 6.274 -15.056 40 H ALA 10 H ALA 10 9.967 4.895 -12.638 41 HA ALA 10 HA ALA 10 7.474 4.313 -11.289 42 HB1 ALA 10 1HB ALA 10 9.652 3.123 -10.837 43 HB2 ALA 10 2HB ALA 10 10.188 4.594 -10.022 44 HB3 ALA 10 3HB ALA 10 8.787 3.710 -9.415 45 HA PRO 11 HA PRO 11 6.635 8.365 -9.800 46 HB2 PRO 11 1HB PRO 11 5.270 7.749 -7.535 47 HB3 PRO 11 2HB PRO 11 4.587 7.548 -9.153 48 HG2 PRO 11 1HG PRO 11 5.825 5.502 -7.352 49 HG3 PRO 11 2HG PRO 11 4.361 5.379 -8.345 50 HD2 PRO 11 1HD PRO 11 6.735 4.325 -9.112 51 HD3 PRO 11 2HD PRO 11 5.553 4.963 -10.274 52 H SER 12 H SER 12 7.786 9.822 -8.694 53 HA SER 12 HA SER 12 9.362 8.891 -6.383 54 HB2 SER 12 1HB SER 12 10.074 10.652 -8.685 55 HB3 SER 12 2HB SER 12 10.794 11.010 -7.115 56 HG SER 12 HG SER 12 10.866 8.352 -7.784 57 H THR 13 H THR 13 9.884 10.593 -4.792 58 HA THR 13 HA THR 13 9.330 12.287 -3.368 59 HB THR 13 HB THR 13 7.498 13.345 -5.525 60 HG1 THR 13 1HG THR 13 9.536 13.214 -6.430 61 HG21 THR 13 1HG2 THR 13 7.909 14.166 -2.903 62 HG22 THR 13 2HG2 THR 13 7.184 15.118 -4.200 63 HG23 THR 13 3HG2 THR 13 8.909 15.257 -3.861 64 H VAL 14 H VAL 14 7.984 9.840 -3.220 65 HA VAL 14 HA VAL 14 5.160 10.236 -2.968 66 HB VAL 14 HB VAL 14 6.887 8.006 -1.885 67 HG11 VAL 14 1HG1 VAL 14 3.972 7.749 -2.467 68 HG12 VAL 14 2HG1 VAL 14 4.983 6.830 -1.349 69 HG13 VAL 14 3HG1 VAL 14 4.492 8.476 -0.947 70 HG21 VAL 14 1HG2 VAL 14 5.139 7.591 -4.226 71 HG22 VAL 14 2HG2 VAL 14 6.567 8.591 -4.490 72 HG23 VAL 14 3HG2 VAL 14 6.743 6.946 -3.878 73 H ARG 15 H ARG 15 4.361 11.534 -1.447 74 HA ARG 15 HA ARG 15 5.624 11.560 1.206 75 HB2 ARG 15 1HB ARG 15 3.887 13.545 -0.245 76 HB3 ARG 15 2HB ARG 15 4.149 13.645 1.491 77 HG2 ARG 15 1HG ARG 15 6.477 13.500 -0.376 78 HG3 ARG 15 2HG ARG 15 5.637 15.029 -0.105 79 HD2 ARG 15 1HD ARG 15 6.610 13.339 2.176 80 HD3 ARG 15 2HD ARG 15 7.671 14.489 1.363 81 HE ARG 15 HE ARG 15 5.238 15.723 2.143 82 HH11 ARG 15 2HH1 ARG 15 8.279 14.576 3.390 83 HH12 ARG 15 1HH1 ARG 15 8.299 15.683 4.723 84 HH21 ARG 15 2HH2 ARG 15 5.252 17.185 3.894 85 HH22 ARG 15 1HH2 ARG 15 6.576 17.166 5.009 86 H ILE 16 H ILE 16 4.407 11.272 3.074 87 HA ILE 16 HA ILE 16 1.653 10.303 2.691 88 HB ILE 16 HB ILE 16 3.716 9.064 4.517 89 HG12 ILE 16 1HG1 ILE 16 2.353 7.825 2.124 90 HG13 ILE 16 2HG1 ILE 16 3.928 8.605 2.030 91 HG21 ILE 16 1HG2 ILE 16 1.357 9.099 5.362 92 HG22 ILE 16 2HG2 ILE 16 0.910 8.126 3.961 93 HG23 ILE 16 3HG2 ILE 16 2.046 7.489 5.152 94 HD11 ILE 16 1HD1 ILE 16 3.538 5.972 2.485 95 HD12 ILE 16 2HD1 ILE 16 4.978 6.868 2.970 96 HD13 ILE 16 3HD1 ILE 16 3.684 6.581 4.133 97 H SER 17 H SER 17 0.210 10.689 4.378 98 HA SER 17 HA SER 17 1.152 12.166 6.709 99 HB2 SER 17 1HB SER 17 0.458 13.707 4.682 100 HB3 SER 17 2HB SER 17 -1.175 13.334 5.233 101 HG SER 17 HG SER 17 0.009 15.249 6.158 102 H LYS 18 H LYS 18 0.264 11.230 8.413 103 HA LYS 18 HA LYS 18 -2.001 9.496 8.188 104 HB2 LYS 18 1HB LYS 18 -0.165 9.037 9.757 105 HB3 LYS 18 2HB LYS 18 -0.553 10.505 10.644 106 HG2 LYS 18 1HG LYS 18 -2.872 9.468 10.968 107 HG3 LYS 18 2HG LYS 18 -2.115 7.956 10.462 108 HD2 LYS 18 1HD LYS 18 -0.907 9.626 12.639 109 HD3 LYS 18 2HD LYS 18 -2.231 8.511 12.984 110 HE2 LYS 18 1HE LYS 18 0.161 7.559 11.468 111 HE3 LYS 18 2HE LYS 18 0.245 7.721 13.221 112 HZ1 LYS 18 1HZ LYS 18 -1.922 6.354 13.166 113 HZ2 LYS 18 2HZ LYS 18 -0.448 5.557 12.940 114 HZ3 LYS 18 3HZ LYS 18 -1.429 5.913 11.608 115 H ASN 19 H ASN 19 -4.077 10.017 8.345 116 HA ASN 19 HA ASN 19 -4.778 12.617 9.537 117 HB2 ASN 19 1HB ASN 19 -5.846 11.101 7.201 118 HB3 ASN 19 2HB ASN 19 -6.974 12.083 8.130 119 HD21 ASN 19 1HD2 ASN 19 -6.662 12.767 5.601 120 HD22 ASN 19 2HD2 ASN 19 -5.710 14.200 5.438 121 H VAL 20 H VAL 20 -7.145 12.626 10.334 122 HA VAL 20 HA VAL 20 -7.342 10.830 12.498 123 HB VAL 20 HB VAL 20 -9.572 11.794 12.880 124 HG11 VAL 20 1HG1 VAL 20 -7.599 13.938 12.114 125 HG12 VAL 20 2HG1 VAL 20 -8.861 14.029 13.344 126 HG13 VAL 20 3HG1 VAL 20 -7.476 12.962 13.577 127 HG21 VAL 20 1HG2 VAL 20 -10.227 13.702 11.309 128 HG22 VAL 20 2HG2 VAL 20 -9.112 12.970 10.155 129 HG23 VAL 20 3HG2 VAL 20 -10.500 12.054 10.742 130 H ASP 21 H ASP 21 -9.044 10.990 9.393 131 HA ASP 21 HA ASP 21 -10.716 8.740 9.931 132 HB2 ASP 21 1HB ASP 21 -10.089 10.396 7.517 133 HB3 ASP 21 2HB ASP 21 -10.922 8.857 7.310 134 H GLY 22 H GLY 22 -7.538 9.184 8.564 135 HA2 GLY 22 1HA GLY 22 -6.642 6.616 8.952 136 HA3 GLY 22 2HA GLY 22 -7.364 6.597 7.350 137 H ILE 23 H ILE 23 -5.065 6.000 6.843 138 HA ILE 23 HA ILE 23 -3.116 8.123 6.942 139 HB ILE 23 HB ILE 23 -2.994 5.472 5.500 140 HG12 ILE 23 1HG1 ILE 23 -1.717 6.238 8.128 141 HG13 ILE 23 2HG1 ILE 23 -3.256 5.391 8.015 142 HG21 ILE 23 1HG2 ILE 23 -1.139 7.746 5.732 143 HG22 ILE 23 2HG2 ILE 23 -0.431 6.151 5.986 144 HG23 ILE 23 3HG2 ILE 23 -1.274 6.512 4.480 145 HD11 ILE 23 1HD1 ILE 23 -0.556 4.418 7.133 146 HD12 ILE 23 2HD1 ILE 23 -1.579 3.772 8.416 147 HD13 ILE 23 3HD1 ILE 23 -2.067 3.603 6.730 148 H HIS 24 H HIS 24 -2.369 9.361 5.260 149 HA HIS 24 HA HIS 24 -3.997 9.297 2.806 150 HB2 HIS 24 1HB HIS 24 -4.321 11.356 4.047 151 HB3 HIS 24 2HB HIS 24 -2.581 11.616 4.136 152 HD1 HIS 24 1HD HIS 24 -1.715 13.195 2.452 153 HD2 HIS 24 2HD HIS 24 -5.201 11.336 1.166 154 HE1 HIS 24 1HE HIS 24 -2.243 14.226 0.220 155 HE2 HIS 24 2HE HIS 24 -4.402 13.147 -0.499 156 H LEU 25 H LEU 25 -2.810 8.042 1.453 157 HA LEU 25 HA LEU 25 0.056 8.379 1.239 158 HB2 LEU 25 1HB LEU 25 -1.445 6.221 0.964 159 HB3 LEU 25 2HB LEU 25 -1.507 6.766 -0.711 160 HG LEU 25 HG LEU 25 1.124 6.835 -0.402 161 HD11 LEU 25 1HD1 LEU 25 1.158 6.227 1.929 162 HD12 LEU 25 2HD1 LEU 25 1.853 4.917 0.974 163 HD13 LEU 25 3HD1 LEU 25 0.211 4.775 1.600 164 HD21 LEU 25 1HD2 LEU 25 -0.727 4.615 -1.114 165 HD22 LEU 25 2HD2 LEU 25 1.004 4.287 -1.042 166 HD23 LEU 25 3HD2 LEU 25 0.385 5.529 -2.132 167 H SER 26 H SER 26 0.979 9.850 -0.011 168 HA SER 26 HA SER 26 -0.417 10.700 -2.461 169 HB2 SER 26 1HB SER 26 -0.330 12.361 -0.432 170 HB3 SER 26 2HB SER 26 1.338 12.607 -0.951 171 HG SER 26 HG SER 26 -0.958 13.537 -2.045 172 H TRP 27 H TRP 27 0.971 11.484 -4.167 173 HA TRP 27 HA TRP 27 3.799 11.241 -4.034 174 HB2 TRP 27 1HB TRP 27 4.140 9.279 -5.388 175 HB3 TRP 27 2HB TRP 27 3.134 8.829 -4.013 176 HD1 TRP 27 HD TRP 27 2.830 9.547 -7.795 177 HE1 TRP 27 1HE TRP 27 0.762 8.299 -8.684 178 HE3 TRP 27 3HE TRP 27 0.991 7.767 -3.369 179 HZ2 TRP 27 2HZ TRP 27 -1.368 6.764 -7.646 180 HZ3 TRP 27 3HZ TRP 27 -1.066 6.418 -3.404 181 HH2 TRP 27 HH TRP 27 -2.220 5.928 -5.499 182 H GLU 28 H GLU 28 4.716 11.190 -6.397 183 HA GLU 28 HA GLU 28 3.040 13.012 -7.992 184 HB2 GLU 28 1HB GLU 28 6.050 12.792 -7.828 185 HB3 GLU 28 2HB GLU 28 5.189 13.840 -8.946 186 HG2 GLU 28 1HG GLU 28 4.084 14.790 -6.801 187 HG3 GLU 28 2HG GLU 28 5.462 14.056 -5.984 188 HA PRO 29 HA PRO 29 2.986 10.179 -11.343 189 HB2 PRO 29 1HB PRO 29 2.978 11.875 -13.463 190 HB3 PRO 29 2HB PRO 29 1.578 11.651 -12.406 191 HG2 PRO 29 1HG PRO 29 3.632 13.829 -12.392 192 HG3 PRO 29 2HG PRO 29 1.873 13.949 -12.206 193 HD2 PRO 29 1HD PRO 29 3.570 14.039 -10.098 194 HD3 PRO 29 2HD PRO 29 1.940 13.345 -9.983 195 HA PRO 30 HA PRO 30 6.986 9.431 -13.008 196 HB2 PRO 30 1HB PRO 30 6.442 8.500 -15.500 197 HB3 PRO 30 2HB PRO 30 6.120 7.566 -14.034 198 HG2 PRO 30 1HG PRO 30 4.235 9.194 -15.695 199 HG3 PRO 30 2HG PRO 30 3.993 7.593 -14.973 200 HD2 PRO 30 1HD PRO 30 3.001 9.855 -13.866 201 HD3 PRO 30 2HD PRO 30 3.519 8.464 -12.893 202 H THR 31 H THR 31 8.434 10.913 -13.585 203 HA THR 31 HA THR 31 7.729 13.091 -15.345 204 HB THR 31 HB THR 31 9.134 13.465 -13.337 205 HG1 THR 31 1HG THR 31 10.761 14.710 -14.521 206 HG21 THR 31 1HG2 THR 31 10.672 11.859 -12.961 207 HG22 THR 31 2HG2 THR 31 11.680 12.819 -14.044 208 HG23 THR 31 3HG2 THR 31 10.788 11.432 -14.668 209 H SER 32 H SER 32 7.645 10.603 -16.652 210 HA SER 32 HA SER 32 10.017 10.681 -18.390 211 HB2 SER 32 1HB SER 32 8.002 8.493 -17.859 212 HB3 SER 32 2HB SER 32 9.194 8.410 -19.156 213 HG SER 32 HG SER 32 10.599 9.032 -17.101 214 HA PRO 33 HA PRO 33 7.708 12.210 -21.794 215 HB2 PRO 33 1HB PRO 33 8.909 10.938 -23.870 216 HB3 PRO 33 2HB PRO 33 9.683 12.246 -22.967 217 HG2 PRO 33 1HG PRO 33 10.048 9.287 -22.701 218 HG3 PRO 33 2HG PRO 33 11.271 10.570 -22.694 219 HD2 PRO 33 1HD PRO 33 10.366 9.409 -20.422 220 HD3 PRO 33 2HD PRO 33 10.877 11.107 -20.487 221 H SER 34 H SER 34 7.146 9.297 -20.567 222 HA SER 34 HA SER 34 5.965 7.819 -22.659 223 HB2 SER 34 1HB SER 34 6.602 7.051 -20.274 224 HB3 SER 34 2HB SER 34 5.026 7.685 -19.801 225 HG SER 34 HG SER 34 4.226 5.893 -20.518 226 H GLY 35 H GLY 35 4.590 9.011 -23.922 227 HA2 GLY 35 1HA GLY 35 2.729 10.894 -23.165 228 HA3 GLY 35 2HA GLY 35 2.548 9.848 -24.566 229 H ASN 36 H ASN 36 1.546 7.734 -24.220 230 HA ASN 36 HA ASN 36 -0.896 7.896 -22.925 231 HB2 ASN 36 1HB ASN 36 0.737 5.548 -23.862 232 HB3 ASN 36 2HB ASN 36 -0.829 5.320 -23.089 233 HD21 ASN 36 1HD2 ASN 36 -2.567 6.832 -24.042 234 HD22 ASN 36 2HD2 ASN 36 -2.635 6.878 -25.768 235 H ILE 37 H ILE 37 -1.441 7.885 -20.854 236 HA ILE 37 HA ILE 37 0.180 6.330 -18.961 237 HB ILE 37 HB ILE 37 -0.708 9.190 -18.612 238 HG12 ILE 37 1HG1 ILE 37 1.441 8.859 -19.753 239 HG13 ILE 37 2HG1 ILE 37 1.675 9.578 -18.163 240 HG21 ILE 37 1HG2 ILE 37 -1.226 8.402 -16.524 241 HG22 ILE 37 2HG2 ILE 37 -0.025 7.112 -16.593 242 HG23 ILE 37 3HG2 ILE 37 0.484 8.776 -16.308 243 HD11 ILE 37 1HD1 ILE 37 2.220 6.758 -19.023 244 HD12 ILE 37 2HD1 ILE 37 3.355 7.957 -18.403 245 HD13 ILE 37 3HD1 ILE 37 2.153 7.243 -17.329 246 H LEU 38 H LEU 38 -1.306 4.736 -18.640 247 HA LEU 38 HA LEU 38 -4.095 5.252 -18.290 248 HB2 LEU 38 1HB LEU 38 -2.537 2.774 -17.575 249 HB3 LEU 38 2HB LEU 38 -4.283 2.897 -17.789 250 HG LEU 38 HG LEU 38 -2.462 3.542 -20.071 251 HD11 LEU 38 1HD1 LEU 38 -1.929 1.267 -18.926 252 HD12 LEU 38 2HD1 LEU 38 -2.131 1.343 -20.676 253 HD13 LEU 38 3HD1 LEU 38 -3.447 0.753 -19.662 254 HD21 LEU 38 1HD2 LEU 38 -4.379 3.658 -21.181 255 HD22 LEU 38 2HD2 LEU 38 -5.238 3.420 -19.659 256 HD23 LEU 38 3HD2 LEU 38 -4.824 2.031 -20.665 257 H GLU 39 H GLU 39 -5.233 4.350 -16.288 258 HA GLU 39 HA GLU 39 -4.735 5.914 -14.094 259 HB2 GLU 39 1HB GLU 39 -6.056 4.171 -12.797 260 HB3 GLU 39 2HB GLU 39 -6.837 4.845 -14.221 261 HG2 GLU 39 1HG GLU 39 -7.295 2.622 -14.478 262 HG3 GLU 39 2HG GLU 39 -5.810 2.769 -15.417 263 H TYR 40 H TYR 40 -4.353 4.864 -11.794 264 HA TYR 40 HA TYR 40 -1.799 3.402 -11.954 265 HB2 TYR 40 1HB TYR 40 -2.694 5.387 -9.853 266 HB3 TYR 40 2HB TYR 40 -1.154 4.536 -9.871 267 HD1 TYR 40 2HD TYR 40 -3.191 7.056 -11.660 268 HD2 TYR 40 1HD TYR 40 0.667 5.334 -11.156 269 HE1 TYR 40 2HE TYR 40 -2.213 8.867 -13.006 270 HE2 TYR 40 1HE TYR 40 1.656 7.141 -12.499 271 HH TYR 40 HH TYR 40 1.141 8.816 -13.996 272 H SER 41 H SER 41 -1.281 2.231 -9.848 273 HA SER 41 HA SER 41 -3.648 1.184 -8.496 274 HB2 SER 41 1HB SER 41 -2.932 -1.154 -8.871 275 HB3 SER 41 2HB SER 41 -3.329 -0.338 -10.383 276 HG SER 41 HG SER 41 -1.423 -1.246 -10.825 277 H ALA 42 H ALA 42 -3.300 0.728 -6.396 278 HA ALA 42 HA ALA 42 -0.517 0.859 -5.433 279 HB1 ALA 42 1HB ALA 42 -1.392 2.692 -4.417 280 HB2 ALA 42 2HB ALA 42 -3.033 2.044 -4.410 281 HB3 ALA 42 3HB ALA 42 -1.858 1.481 -3.222 282 H TYR 43 H TYR 43 0.263 -0.818 -4.314 283 HA TYR 43 HA TYR 43 -1.633 -2.916 -3.485 284 HB2 TYR 43 1HB TYR 43 1.252 -3.226 -4.343 285 HB3 TYR 43 2HB TYR 43 0.187 -4.532 -3.836 286 HD1 TYR 43 2HD TYR 43 0.530 -1.860 -6.406 287 HD2 TYR 43 1HD TYR 43 -1.117 -5.655 -5.411 288 HE1 TYR 43 2HE TYR 43 -0.230 -2.132 -8.729 289 HE2 TYR 43 1HE TYR 43 -1.882 -5.938 -7.731 290 HH TYR 43 HH TYR 43 -0.790 -4.064 -10.267 291 H LEU 44 H LEU 44 -1.151 -4.088 -1.559 292 HA LEU 44 HA LEU 44 0.788 -2.822 0.244 293 HB2 LEU 44 1HB LEU 44 -1.192 -1.794 0.940 294 HB3 LEU 44 2HB LEU 44 -2.138 -3.266 0.720 295 HG LEU 44 HG LEU 44 -0.796 -4.214 2.676 296 HD11 LEU 44 1HD1 LEU 44 0.669 -2.959 3.791 297 HD12 LEU 44 2HD1 LEU 44 -0.394 -1.552 3.776 298 HD13 LEU 44 3HD1 LEU 44 0.643 -1.888 2.390 299 HD21 LEU 44 1HD2 LEU 44 -3.073 -2.451 2.587 300 HD22 LEU 44 2HD2 LEU 44 -2.217 -2.296 4.121 301 HD23 LEU 44 3HD2 LEU 44 -2.794 -3.876 3.587 302 H ALA 45 H ALA 45 2.170 -4.355 0.818 303 HA ALA 45 HA ALA 45 1.896 -7.078 0.483 304 HB1 ALA 45 1HB ALA 45 3.697 -5.329 2.016 305 HB2 ALA 45 2HB ALA 45 3.610 -7.001 2.572 306 HB3 ALA 45 3HB ALA 45 4.065 -6.649 0.905 307 H ILE 46 H ILE 46 0.708 -8.588 1.436 308 HA ILE 46 HA ILE 46 -0.266 -8.093 4.174 309 HB ILE 46 HB ILE 46 -2.299 -9.375 3.595 310 HG12 ILE 46 1HG1 ILE 46 -1.378 -9.118 0.728 311 HG13 ILE 46 2HG1 ILE 46 -1.224 -10.597 1.670 312 HG21 ILE 46 1HG2 ILE 46 -1.582 -6.744 2.635 313 HG22 ILE 46 2HG2 ILE 46 -2.853 -7.470 1.654 314 HG23 ILE 46 3HG2 ILE 46 -3.074 -7.298 3.395 315 HD11 ILE 46 1HD1 ILE 46 -3.896 -9.314 1.438 316 HD12 ILE 46 2HD1 ILE 46 -3.253 -10.225 0.071 317 HD13 ILE 46 3HD1 ILE 46 -3.471 -11.014 1.634 318 H ARG 47 H ARG 47 -0.155 -9.751 5.617 319 HA ARG 47 HA ARG 47 1.494 -12.015 4.859 320 HB2 ARG 47 1HB ARG 47 1.659 -10.586 7.031 321 HB3 ARG 47 2HB ARG 47 0.336 -11.598 7.595 322 HG2 ARG 47 1HG ARG 47 1.634 -13.504 7.640 323 HG3 ARG 47 2HG ARG 47 2.802 -12.859 6.484 324 HD2 ARG 47 1HD ARG 47 3.857 -12.870 8.615 325 HD3 ARG 47 2HD ARG 47 3.468 -11.192 8.236 326 HE ARG 47 HE ARG 47 1.493 -12.587 9.822 327 HH11 ARG 47 2HH1 ARG 47 4.326 -10.564 9.819 328 HH12 ARG 47 1HH1 ARG 47 4.047 -9.945 11.412 329 HH21 ARG 47 2HH2 ARG 47 1.114 -11.779 11.922 330 HH22 ARG 47 1HH2 ARG 47 2.219 -10.638 12.608 331 H THR 48 H THR 48 -1.764 -11.413 6.101 332 HA THR 48 HA THR 48 -2.727 -13.860 6.686 333 HB THR 48 HB THR 48 -4.927 -13.174 5.757 334 HG1 THR 48 1HG THR 48 -4.677 -10.779 4.985 335 HG21 THR 48 1HG2 THR 48 -4.664 -12.352 7.898 336 HG22 THR 48 2HG2 THR 48 -4.924 -10.862 6.991 337 HG23 THR 48 3HG2 THR 48 -3.291 -11.339 7.454 338 H ALA 49 H ALA 49 -2.296 -12.590 3.402 339 HA ALA 49 HA ALA 49 -3.169 -15.084 2.214 340 HB1 ALA 49 1HB ALA 49 -2.149 -12.511 1.031 341 HB2 ALA 49 2HB ALA 49 -2.583 -13.923 0.067 342 HB3 ALA 49 3HB ALA 49 -3.806 -13.114 1.046 343 H GLN 50 H GLN 50 -0.959 -15.423 3.902 344 HA GLN 50 HA GLN 50 1.209 -15.976 1.985 345 HB2 GLN 50 1HB GLN 50 1.644 -14.361 3.924 346 HB3 GLN 50 2HB GLN 50 1.552 -15.771 4.970 347 HG2 GLN 50 1HG GLN 50 3.445 -15.568 2.646 348 HG3 GLN 50 2HG GLN 50 3.858 -15.061 4.283 349 HE21 GLN 50 1HE2 GLN 50 4.074 -17.526 2.138 350 HE22 GLN 50 2HE2 GLN 50 4.288 -18.848 3.229 351 H MET 51 H MET 51 0.976 -18.036 1.359 352 HA MET 51 HA MET 51 0.754 -20.077 3.470 353 HB2 MET 51 1HB MET 51 -1.359 -19.754 2.102 354 HB3 MET 51 2HB MET 51 -0.455 -20.357 0.720 355 HG2 MET 51 1HG MET 51 -1.790 -22.113 1.723 356 HG3 MET 51 2HG MET 51 -0.069 -22.463 1.874 357 HE1 MET 51 1HE MET 51 -1.017 -24.295 3.353 358 HE2 MET 51 2HE MET 51 0.426 -23.837 4.257 359 HE3 MET 51 3HE MET 51 -1.099 -24.103 5.104 360 H GLN 52 H GLN 52 1.641 -19.557 0.058 361 HA GLN 52 HA GLN 52 3.973 -21.291 0.495 362 HB2 GLN 52 1HB GLN 52 2.129 -22.483 -0.740 363 HB3 GLN 52 2HB GLN 52 2.323 -21.307 -2.033 364 HG2 GLN 52 1HG GLN 52 3.515 -23.275 -2.633 365 HG3 GLN 52 2HG GLN 52 4.691 -22.019 -2.247 366 HE21 GLN 52 1HE2 GLN 52 6.381 -22.879 -1.292 367 HE22 GLN 52 2HE2 GLN 52 6.353 -24.103 -0.074 368 H ASP 53 H ASP 53 5.111 -19.279 0.758 369 HA ASP 53 HA ASP 53 6.109 -18.279 -1.765 370 HB2 ASP 53 1HB ASP 53 5.079 -16.252 0.212 371 HB3 ASP 53 2HB ASP 53 5.592 -15.991 -1.452 372 H ASN 54 H ASN 54 8.179 -17.488 -1.627 373 HA ASN 54 HA ASN 54 9.808 -18.337 0.451 374 HB2 ASN 54 1HB ASN 54 10.162 -16.367 -1.778 375 HB3 ASN 54 2HB ASN 54 11.412 -16.512 -0.546 376 HD21 ASN 54 1HD2 ASN 54 12.986 -17.824 -1.076 377 HD22 ASN 54 2HD2 ASN 54 12.857 -19.228 -2.074 378 HA PRO 55 HA PRO 55 9.555 -15.357 3.661 379 HB2 PRO 55 1HB PRO 55 12.136 -15.186 4.486 380 HB3 PRO 55 2HB PRO 55 11.120 -16.598 4.798 381 HG2 PRO 55 1HG PRO 55 13.185 -16.184 2.672 382 HG3 PRO 55 2HG PRO 55 12.889 -17.612 3.681 383 HD2 PRO 55 1HD PRO 55 12.018 -17.430 1.124 384 HD3 PRO 55 2HD PRO 55 11.132 -18.328 2.373 385 H SER 56 H SER 56 12.171 -14.783 1.334 386 HA SER 56 HA SER 56 12.456 -12.018 1.989 387 HB2 SER 56 1HB SER 56 13.437 -13.713 -0.306 388 HB3 SER 56 2HB SER 56 13.753 -11.980 -0.218 389 HG SER 56 HG SER 56 15.028 -13.974 1.022 390 H GLN 57 H GLN 57 10.855 -13.793 -0.631 391 HA GLN 57 HA GLN 57 9.995 -11.604 -2.131 392 HB2 GLN 57 1HB GLN 57 9.881 -14.161 -2.622 393 HB3 GLN 57 2HB GLN 57 8.305 -14.065 -1.847 394 HG2 GLN 57 1HG GLN 57 7.883 -13.852 -4.135 395 HG3 GLN 57 2HG GLN 57 7.766 -12.216 -3.490 396 HE21 GLN 57 1HE2 GLN 57 8.705 -13.756 -6.093 397 HE22 GLN 57 2HE2 GLN 57 10.072 -12.817 -6.578 398 H LEU 58 H LEU 58 8.058 -10.447 -2.199 399 HA LEU 58 HA LEU 58 6.309 -10.693 0.149 400 HB2 LEU 58 1HB LEU 58 7.844 -8.336 -0.788 401 HB3 LEU 58 2HB LEU 58 6.207 -8.052 -0.202 402 HG LEU 58 HG LEU 58 8.287 -9.492 1.428 403 HD11 LEU 58 1HD1 LEU 58 9.260 -7.377 1.054 404 HD12 LEU 58 2HD1 LEU 58 8.479 -7.278 2.632 405 HD13 LEU 58 3HD1 LEU 58 7.711 -6.549 1.222 406 HD21 LEU 58 1HD2 LEU 58 6.825 -8.836 3.286 407 HD22 LEU 58 2HD2 LEU 58 5.981 -9.842 2.107 408 HD23 LEU 58 3HD2 LEU 58 5.707 -8.099 2.137 409 H VAL 59 H VAL 59 4.447 -11.357 -0.723 410 HA VAL 59 HA VAL 59 3.590 -10.486 -3.337 411 HB VAL 59 HB VAL 59 2.157 -12.170 -1.278 412 HG11 VAL 59 1HG1 VAL 59 0.348 -11.887 -2.539 413 HG12 VAL 59 2HG1 VAL 59 1.262 -10.979 -3.746 414 HG13 VAL 59 3HG1 VAL 59 1.190 -12.740 -3.832 415 HG21 VAL 59 1HG2 VAL 59 2.801 -13.785 -3.399 416 HG22 VAL 59 2HG2 VAL 59 4.220 -12.747 -3.261 417 HG23 VAL 59 3HG2 VAL 59 3.683 -13.696 -1.875 418 H PHE 60 H PHE 60 2.707 -8.552 -3.619 419 HA PHE 60 HA PHE 60 1.179 -7.332 -1.438 420 HB2 PHE 60 1HB PHE 60 1.966 -5.993 -4.021 421 HB3 PHE 60 2HB PHE 60 1.534 -5.238 -2.490 422 HD1 PHE 60 1HD PHE 60 4.163 -6.973 -4.355 423 HD2 PHE 60 2HD PHE 60 3.134 -5.037 -0.707 424 HE1 PHE 60 1HE PHE 60 6.544 -6.866 -3.744 425 HE2 PHE 60 2HE PHE 60 5.513 -4.926 -0.090 426 HZ PHE 60 HZ PHE 60 7.222 -5.840 -1.610 427 H MET 61 H MET 61 -0.874 -6.352 -1.841 428 HA MET 61 HA MET 61 -2.282 -7.405 -4.201 429 HB2 MET 61 1HB MET 61 -4.216 -7.925 -2.869 430 HB3 MET 61 2HB MET 61 -2.820 -8.717 -2.151 431 HG2 MET 61 1HG MET 61 -2.773 -7.278 -0.337 432 HG3 MET 61 2HG MET 61 -3.717 -6.044 -1.168 433 HE1 MET 61 1HE MET 61 -4.419 -6.010 1.216 434 HE2 MET 61 2HE MET 61 -6.159 -5.981 0.935 435 HE3 MET 61 3HE MET 61 -5.463 -7.179 2.027 436 H ARG 62 H ARG 62 -3.852 -6.090 -5.100 437 HA ARG 62 HA ARG 62 -3.514 -3.305 -4.775 438 HB2 ARG 62 1HB ARG 62 -4.253 -4.444 -6.878 439 HB3 ARG 62 2HB ARG 62 -5.815 -4.727 -6.122 440 HG2 ARG 62 1HG ARG 62 -4.774 -1.944 -6.225 441 HG3 ARG 62 2HG ARG 62 -5.410 -2.670 -7.702 442 HD2 ARG 62 1HD ARG 62 -6.926 -2.653 -5.104 443 HD3 ARG 62 2HD ARG 62 -7.055 -1.359 -6.294 444 HE ARG 62 HE ARG 62 -7.642 -3.413 -7.823 445 HH11 ARG 62 2HH1 ARG 62 -8.652 -2.782 -4.551 446 HH12 ARG 62 1HH1 ARG 62 -10.156 -3.626 -4.714 447 HH21 ARG 62 2HH2 ARG 62 -9.620 -4.527 -8.050 448 HH22 ARG 62 1HH2 ARG 62 -10.705 -4.619 -6.705 449 H ILE 63 H ILE 63 -4.330 -1.998 -3.288 450 HA ILE 63 HA ILE 63 -6.750 -2.852 -1.840 451 HB ILE 63 HB ILE 63 -5.964 -1.324 -0.018 452 HG12 ILE 63 1HG1 ILE 63 -3.249 -1.421 -1.291 453 HG13 ILE 63 2HG1 ILE 63 -4.373 -0.136 -1.720 454 HG21 ILE 63 1HG2 ILE 63 -5.640 -3.633 0.321 455 HG22 ILE 63 2HG2 ILE 63 -4.309 -3.695 -0.834 456 HG23 ILE 63 3HG2 ILE 63 -4.096 -2.876 0.713 457 HD11 ILE 63 1HD1 ILE 63 -2.682 -0.375 0.568 458 HD12 ILE 63 2HD1 ILE 63 -3.679 0.986 0.051 459 HD13 ILE 63 3HD1 ILE 63 -4.366 -0.270 1.080 460 H TYR 64 H TYR 64 -5.156 -0.201 -3.489 461 HA TYR 64 HA TYR 64 -7.635 1.376 -3.267 462 HB2 TYR 64 1HB TYR 64 -6.010 2.724 -2.290 463 HB3 TYR 64 2HB TYR 64 -4.750 2.180 -3.392 464 HD1 TYR 64 1HD TYR 64 -8.033 3.969 -3.555 465 HD2 TYR 64 2HD TYR 64 -4.032 3.690 -4.975 466 HE1 TYR 64 1HE TYR 64 -8.392 5.969 -4.941 467 HE2 TYR 64 2HE TYR 64 -4.379 5.689 -6.364 468 HH TYR 64 HH TYR 64 -6.679 7.841 -5.949 469 H CYS 65 H CYS 65 -8.691 1.936 -5.078 470 HA CYS 65 HA CYS 65 -7.401 1.321 -7.655 471 HB2 CYS 65 1HB CYS 65 -9.641 0.758 -8.522 472 HB3 CYS 65 2HB CYS 65 -9.177 -0.280 -7.179 473 HG CYS 65 HG CYS 65 -11.779 0.083 -6.654 474 H GLY 66 H GLY 66 -7.151 2.996 -8.976 475 HA2 GLY 66 1HA GLY 66 -9.005 4.897 -9.680 476 HA3 GLY 66 2HA GLY 66 -8.173 5.579 -8.290 477 H LEU 67 H LEU 67 -7.671 7.224 -10.010 478 HA LEU 67 HA LEU 67 -5.116 6.508 -11.269 479 HB2 LEU 67 1HB LEU 67 -5.799 8.084 -13.149 480 HB3 LEU 67 2HB LEU 67 -6.533 6.482 -13.118 481 HG LEU 67 HG LEU 67 -7.949 8.859 -11.957 482 HD11 LEU 67 1HD1 LEU 67 -7.424 9.541 -14.193 483 HD12 LEU 67 2HD1 LEU 67 -9.118 9.054 -14.142 484 HD13 LEU 67 3HD1 LEU 67 -7.911 7.973 -14.836 485 HD21 LEU 67 1HD2 LEU 67 -8.531 6.053 -12.485 486 HD22 LEU 67 2HD2 LEU 67 -9.758 7.150 -13.119 487 HD23 LEU 67 3HD2 LEU 67 -9.334 7.195 -11.407 488 H LYS 68 H LYS 68 -6.273 8.140 -8.883 489 HA LYS 68 HA LYS 68 -5.281 10.800 -9.444 490 HB2 LYS 68 1HB LYS 68 -6.732 9.473 -7.228 491 HB3 LYS 68 2HB LYS 68 -5.699 10.824 -6.780 492 HG2 LYS 68 1HG LYS 68 -7.818 11.753 -7.133 493 HG3 LYS 68 2HG LYS 68 -6.893 12.148 -8.584 494 HD2 LYS 68 1HD LYS 68 -7.936 10.303 -9.776 495 HD3 LYS 68 2HD LYS 68 -8.814 9.834 -8.318 496 HE2 LYS 68 1HE LYS 68 -9.102 12.608 -9.383 497 HE3 LYS 68 2HE LYS 68 -9.973 11.288 -10.161 498 HZ1 LYS 68 1HZ LYS 68 -10.175 12.124 -7.321 499 HZ2 LYS 68 2HZ LYS 68 -10.901 10.733 -7.951 500 HZ3 LYS 68 3HZ LYS 68 -11.371 12.259 -8.510 501 H THR 69 H THR 69 -3.750 11.808 -7.818 502 HA THR 69 HA THR 69 -1.397 10.106 -7.634 503 HB THR 69 HB THR 69 -0.237 12.230 -6.960 504 HG1 THR 69 1HG THR 69 -2.743 13.410 -7.640 505 HG21 THR 69 1HG2 THR 69 -0.634 13.345 -9.255 506 HG22 THR 69 2HG2 THR 69 -1.710 11.981 -9.562 507 HG23 THR 69 3HG2 THR 69 -0.003 11.699 -9.221 508 H SER 70 H SER 70 -3.861 11.363 -5.605 509 HA SER 70 HA SER 70 -2.384 10.415 -3.239 510 HB2 SER 70 1HB SER 70 -3.590 12.152 -1.915 511 HB3 SER 70 2HB SER 70 -2.498 12.836 -3.119 512 HG SER 70 HG SER 70 -4.754 12.587 -4.363 513 H CYS 71 H CYS 71 -3.387 8.914 -2.059 514 HA CYS 71 HA CYS 71 -6.291 8.576 -2.381 515 HB2 CYS 71 1HB CYS 71 -6.017 6.149 -2.421 516 HB3 CYS 71 2HB CYS 71 -5.131 6.890 -3.749 517 HG CYS 71 HG CYS 71 -3.795 5.628 -0.864 518 H THR 72 H THR 72 -7.173 7.061 -0.641 519 HA THR 72 HA THR 72 -5.777 7.557 1.907 520 HB THR 72 HB THR 72 -8.759 7.675 1.419 521 HG1 THR 72 1HG THR 72 -7.600 9.865 2.531 522 HG21 THR 72 1HG2 THR 72 -8.638 6.864 3.579 523 HG22 THR 72 2HG2 THR 72 -8.593 8.604 3.861 524 HG23 THR 72 3HG2 THR 72 -7.102 7.664 3.905 525 H VAL 73 H VAL 73 -5.598 5.875 3.284 526 HA VAL 73 HA VAL 73 -6.828 3.332 2.453 527 HB VAL 73 HB VAL 73 -4.336 3.806 4.094 528 HG11 VAL 73 1HG1 VAL 73 -5.630 1.229 3.210 529 HG12 VAL 73 2HG1 VAL 73 -4.041 1.363 3.966 530 HG13 VAL 73 3HG1 VAL 73 -5.488 1.820 4.866 531 HG21 VAL 73 1HG2 VAL 73 -4.764 3.718 1.293 532 HG22 VAL 73 2HG2 VAL 73 -3.236 3.837 2.165 533 HG23 VAL 73 3HG2 VAL 73 -3.895 2.254 1.754 534 H THR 74 H THR 74 -8.004 2.137 3.875 535 HA THR 74 HA THR 74 -8.770 3.469 6.361 536 HB THR 74 HB THR 74 -10.579 1.715 6.426 537 HG1 THR 74 1HG THR 74 -10.496 0.155 5.007 538 HG21 THR 74 1HG2 THR 74 -11.977 2.905 4.998 539 HG22 THR 74 2HG2 THR 74 -10.698 3.178 3.814 540 HG23 THR 74 3HG2 THR 74 -10.695 4.067 5.337 541 H ALA 75 H ALA 75 -9.127 2.114 8.302 542 HA ALA 75 HA ALA 75 -6.788 0.775 9.066 543 HB1 ALA 75 1HB ALA 75 -7.862 0.333 11.127 544 HB2 ALA 75 2HB ALA 75 -8.480 1.889 10.572 545 HB3 ALA 75 3HB ALA 75 -9.464 0.436 10.397 546 H GLY 76 H GLY 76 -9.977 -0.500 8.141 547 HA2 GLY 76 1HA GLY 76 -9.828 -3.135 8.612 548 HA3 GLY 76 2HA GLY 76 -10.451 -2.516 7.089 549 H GLN 77 H GLN 77 -8.304 -1.640 5.757 550 HA GLN 77 HA GLN 77 -7.057 -4.056 4.922 551 HB2 GLN 77 1HB GLN 77 -6.891 -1.185 4.129 552 HB3 GLN 77 2HB GLN 77 -5.606 -2.268 3.610 553 HG2 GLN 77 1HG GLN 77 -7.059 -3.572 2.332 554 HG3 GLN 77 2HG GLN 77 -8.488 -2.928 3.138 555 HE21 GLN 77 1HE2 GLN 77 -8.290 -3.022 0.395 556 HE22 GLN 77 2HE2 GLN 77 -8.186 -1.414 -0.228 557 H LEU 78 H LEU 78 -5.948 -1.222 6.728 558 HA LEU 78 HA LEU 78 -3.247 -1.745 6.887 559 HB2 LEU 78 1HB LEU 78 -5.209 -0.391 8.657 560 HB3 LEU 78 2HB LEU 78 -3.616 -0.747 9.322 561 HG LEU 78 HG LEU 78 -4.094 0.866 6.818 562 HD11 LEU 78 1HD1 LEU 78 -4.374 1.591 9.582 563 HD12 LEU 78 2HD1 LEU 78 -4.646 2.561 8.135 564 HD13 LEU 78 3HD1 LEU 78 -3.036 2.475 8.848 565 HD21 LEU 78 1HD2 LEU 78 -1.872 0.990 6.582 566 HD22 LEU 78 2HD2 LEU 78 -1.829 -0.437 7.617 567 HD23 LEU 78 3HD2 LEU 78 -1.601 1.167 8.316 568 H ALA 79 H ALA 79 -5.881 -3.177 8.731 569 HA ALA 79 HA ALA 79 -4.427 -4.497 10.701 570 HB1 ALA 79 1HB ALA 79 -6.580 -6.169 9.878 571 HB2 ALA 79 2HB ALA 79 -6.472 -5.119 11.291 572 HB3 ALA 79 3HB ALA 79 -7.096 -4.486 9.768 573 H ASN 80 H ASN 80 -5.048 -5.388 7.354 574 HA ASN 80 HA ASN 80 -3.602 -7.906 7.711 575 HB2 ASN 80 1HB ASN 80 -4.277 -8.015 5.139 576 HB3 ASN 80 2HB ASN 80 -5.419 -8.430 6.413 577 HD21 ASN 80 1HD2 ASN 80 -6.998 -6.881 7.021 578 HD22 ASN 80 2HD2 ASN 80 -7.497 -5.653 5.912 579 H ALA 81 H ALA 81 -2.431 -5.102 7.648 580 HA ALA 81 HA ALA 81 -0.696 -5.309 5.298 581 HB1 ALA 81 1HB ALA 81 -0.063 -3.035 6.883 582 HB2 ALA 81 2HB ALA 81 -0.800 -3.094 5.282 583 HB3 ALA 81 3HB ALA 81 -1.816 -3.132 6.722 584 H HIS 82 H HIS 82 1.187 -6.311 5.485 585 HA HIS 82 HA HIS 82 2.272 -7.063 8.016 586 HB2 HIS 82 1HB HIS 82 2.701 -8.618 6.328 587 HB3 HIS 82 2HB HIS 82 3.154 -7.375 5.164 588 HD1 HIS 82 1HD HIS 82 4.571 -9.772 7.488 589 HD2 HIS 82 2HD HIS 82 5.767 -6.178 5.782 590 HE1 HIS 82 1HE HIS 82 7.065 -9.678 7.798 591 HE2 HIS 82 2HE HIS 82 7.755 -7.456 6.834 592 H ILE 83 H ILE 83 3.376 -5.766 9.314 593 HA ILE 83 HA ILE 83 4.734 -3.426 8.213 594 HB ILE 83 HB ILE 83 4.218 -4.201 11.087 595 HG12 ILE 83 1HG1 ILE 83 2.883 -2.174 9.280 596 HG13 ILE 83 2HG1 ILE 83 2.161 -3.655 9.899 597 HG21 ILE 83 1HG2 ILE 83 5.405 -2.425 11.777 598 HG22 ILE 83 2HG2 ILE 83 6.192 -2.558 10.205 599 HG23 ILE 83 3HG2 ILE 83 4.867 -1.417 10.434 600 HD11 ILE 83 1HD1 ILE 83 1.878 -1.194 11.005 601 HD12 ILE 83 2HD1 ILE 83 1.652 -2.720 11.860 602 HD13 ILE 83 3HD1 ILE 83 3.192 -1.868 11.969 603 H ASP 84 H ASP 84 6.835 -3.456 7.810 604 HA ASP 84 HA ASP 84 8.488 -5.660 8.554 605 HB2 ASP 84 1HB ASP 84 10.301 -3.958 7.628 606 HB3 ASP 84 2HB ASP 84 9.195 -4.799 6.546 607 H TYR 85 H TYR 85 8.809 -5.845 10.717 608 HA TYR 85 HA TYR 85 9.487 -3.548 12.334 609 HB2 TYR 85 1HB TYR 85 8.924 -6.429 12.837 610 HB3 TYR 85 2HB TYR 85 9.889 -5.566 14.029 611 HD1 TYR 85 1HD TYR 85 8.819 -3.099 14.545 612 HD2 TYR 85 2HD TYR 85 6.680 -6.565 13.313 613 HE1 TYR 85 1HE TYR 85 6.769 -2.183 15.548 614 HE2 TYR 85 2HE TYR 85 4.624 -5.657 14.311 615 HH TYR 85 HH TYR 85 4.013 -4.024 16.103 616 H THR 86 H THR 86 11.230 -4.966 10.125 617 HA THR 86 HA THR 86 13.546 -5.986 11.230 618 HB THR 86 HB THR 86 14.718 -5.180 9.190 619 HG1 THR 86 1HG THR 86 13.468 -3.197 9.014 620 HG21 THR 86 1HG2 THR 86 12.369 -6.125 7.847 621 HG22 THR 86 2HG2 THR 86 12.565 -6.992 9.371 622 HG23 THR 86 3HG2 THR 86 13.872 -6.980 8.188 623 H SER 87 H SER 87 14.100 -4.900 13.130 624 HA SER 87 HA SER 87 14.923 -3.223 14.463 625 HB2 SER 87 1HB SER 87 16.872 -4.111 13.042 626 HB3 SER 87 2HB SER 87 16.717 -2.618 12.117 627 HG SER 87 HG SER 87 17.195 -1.451 13.949 628 H ARG 88 H ARG 88 12.732 -2.447 12.591 629 HA ARG 88 HA ARG 88 12.607 0.283 13.199 630 HB2 ARG 88 1HB ARG 88 14.377 0.418 11.452 631 HB3 ARG 88 2HB ARG 88 13.240 -0.259 10.294 632 HG2 ARG 88 1HG ARG 88 11.745 1.692 10.743 633 HG3 ARG 88 2HG ARG 88 13.050 2.388 11.706 634 HD2 ARG 88 1HD ARG 88 13.229 1.631 8.792 635 HD3 ARG 88 2HD ARG 88 13.018 3.268 9.413 636 HE ARG 88 HE ARG 88 15.352 1.860 10.387 637 HH11 ARG 88 2HH1 ARG 88 14.036 4.039 8.012 638 HH12 ARG 88 1HH1 ARG 88 15.572 4.734 7.609 639 HH21 ARG 88 2HH2 ARG 88 17.379 2.766 9.865 640 HH22 ARG 88 1HH2 ARG 88 17.472 4.009 8.663 641 HA PRO 89 HA PRO 89 8.522 -1.412 12.308 642 HB2 PRO 89 1HB PRO 89 7.197 0.411 13.822 643 HB3 PRO 89 2HB PRO 89 7.997 -1.008 14.508 644 HG2 PRO 89 1HG PRO 89 8.962 1.821 14.356 645 HG3 PRO 89 2HG PRO 89 9.062 0.676 15.706 646 HD2 PRO 89 1HD PRO 89 11.159 1.185 14.070 647 HD3 PRO 89 2HD PRO 89 10.897 -0.402 14.821 648 H ALA 90 H ALA 90 8.575 -0.776 10.097 649 HA ALA 90 HA ALA 90 7.195 1.769 9.602 650 HB1 ALA 90 1HB ALA 90 9.752 1.734 9.094 651 HB2 ALA 90 2HB ALA 90 9.259 0.834 7.659 652 HB3 ALA 90 3HB ALA 90 8.632 2.458 7.940 653 H ILE 91 H ILE 91 5.920 1.818 7.678 654 HA ILE 91 HA ILE 91 4.955 -0.839 6.924 655 HB ILE 91 HB ILE 91 3.748 1.896 6.501 656 HG12 ILE 91 1HG1 ILE 91 2.969 -0.415 8.292 657 HG13 ILE 91 2HG1 ILE 91 3.650 1.121 8.816 658 HG21 ILE 91 1HG2 ILE 91 2.426 -0.739 5.915 659 HG22 ILE 91 2HG2 ILE 91 1.881 0.881 5.482 660 HG23 ILE 91 3HG2 ILE 91 3.293 0.184 4.687 661 HD11 ILE 91 1HD1 ILE 91 0.919 0.530 7.764 662 HD12 ILE 91 2HD1 ILE 91 1.394 1.359 9.247 663 HD13 ILE 91 3HD1 ILE 91 1.583 2.162 7.689 664 H VAL 92 H VAL 92 5.132 -1.662 4.920 665 HA VAL 92 HA VAL 92 6.668 -0.120 2.964 666 HB VAL 92 HB VAL 92 5.984 -3.062 3.033 667 HG11 VAL 92 1HG1 VAL 92 7.254 -1.343 0.984 668 HG12 VAL 92 2HG1 VAL 92 7.983 -2.924 1.273 669 HG13 VAL 92 3HG1 VAL 92 6.288 -2.806 0.797 670 HG21 VAL 92 1HG2 VAL 92 7.918 -1.607 4.441 671 HG22 VAL 92 2HG2 VAL 92 7.807 -3.358 4.271 672 HG23 VAL 92 3HG2 VAL 92 8.784 -2.423 3.139 673 H PHE 93 H PHE 93 5.914 0.433 0.981 674 HA PHE 93 HA PHE 93 3.229 -0.477 0.214 675 HB2 PHE 93 1HB PHE 93 4.209 2.367 0.390 676 HB3 PHE 93 2HB PHE 93 2.849 1.913 -0.633 677 HD1 PHE 93 2HD PHE 93 0.862 0.773 0.469 678 HD2 PHE 93 1HD PHE 93 3.907 2.787 2.658 679 HE1 PHE 93 2HE PHE 93 -0.652 0.957 2.400 680 HE2 PHE 93 1HE PHE 93 2.398 2.972 4.593 681 HZ PHE 93 HZ PHE 93 0.114 2.058 4.465 682 H ARG 94 H ARG 94 2.820 -0.543 -2.011 683 HA ARG 94 HA ARG 94 5.195 -0.197 -3.721 684 HB2 ARG 94 1HB ARG 94 3.250 -2.446 -3.505 685 HB3 ARG 94 2HB ARG 94 3.902 -2.066 -5.093 686 HG2 ARG 94 1HG ARG 94 5.652 -2.546 -2.701 687 HG3 ARG 94 2HG ARG 94 5.110 -3.843 -3.767 688 HD2 ARG 94 1HD ARG 94 6.102 -2.583 -5.679 689 HD3 ARG 94 2HD ARG 94 6.769 -1.441 -4.514 690 HE ARG 94 HE ARG 94 8.319 -3.034 -3.860 691 HH11 ARG 94 2HH1 ARG 94 6.017 -4.395 -6.090 692 HH12 ARG 94 1HH1 ARG 94 6.943 -5.832 -6.371 693 HH21 ARG 94 2HH2 ARG 94 9.546 -4.923 -4.222 694 HH22 ARG 94 1HH2 ARG 94 8.949 -6.132 -5.307 695 H ILE 95 H ILE 95 4.952 0.978 -5.529 696 HA ILE 95 HA ILE 95 2.259 1.510 -6.544 697 HB ILE 95 HB ILE 95 4.261 3.690 -5.938 698 HG12 ILE 95 1HG1 ILE 95 1.501 3.462 -4.772 699 HG13 ILE 95 2HG1 ILE 95 2.850 2.602 -4.039 700 HG21 ILE 95 1HG2 ILE 95 2.647 5.237 -6.792 701 HG22 ILE 95 2HG2 ILE 95 2.927 4.002 -8.019 702 HG23 ILE 95 3HG2 ILE 95 1.466 3.949 -7.033 703 HD11 ILE 95 1HD1 ILE 95 2.144 5.416 -3.926 704 HD12 ILE 95 2HD1 ILE 95 3.167 4.455 -2.856 705 HD13 ILE 95 3HD1 ILE 95 3.837 5.142 -4.336 706 H SER 96 H SER 96 2.142 1.847 -8.731 707 HA SER 96 HA SER 96 4.484 2.347 -10.321 708 HB2 SER 96 1HB SER 96 4.533 -0.154 -9.769 709 HB3 SER 96 2HB SER 96 3.105 -0.295 -10.794 710 HG SER 96 HG SER 96 4.939 -0.671 -12.030 711 H ALA 97 H ALA 97 3.959 2.437 -12.656 712 HA ALA 97 HA ALA 97 1.180 3.322 -13.020 713 HB1 ALA 97 1HB ALA 97 2.089 5.128 -13.932 714 HB2 ALA 97 2HB ALA 97 3.702 4.430 -13.788 715 HB3 ALA 97 3HB ALA 97 2.732 4.118 -15.227 716 H LYS 98 H LYS 98 0.060 2.795 -14.961 717 HA LYS 98 HA LYS 98 0.938 0.240 -16.121 718 HB2 LYS 98 1HB LYS 98 -1.298 0.446 -14.886 719 HB3 LYS 98 2HB LYS 98 -1.846 1.382 -16.270 720 HG2 LYS 98 1HG LYS 98 -1.588 -0.467 -17.733 721 HG3 LYS 98 2HG LYS 98 -0.730 -1.399 -16.505 722 HD2 LYS 98 1HD LYS 98 -2.674 -1.751 -15.250 723 HD3 LYS 98 2HD LYS 98 -3.539 -0.442 -16.058 724 HE2 LYS 98 1HE LYS 98 -3.192 -1.899 -18.188 725 HE3 LYS 98 2HE LYS 98 -2.931 -3.204 -17.032 726 HZ1 LYS 98 1HZ LYS 98 -5.142 -3.404 -17.124 727 HZ2 LYS 98 2HZ LYS 98 -5.374 -1.858 -17.768 728 HZ3 LYS 98 3HZ LYS 98 -5.178 -2.058 -16.100 729 H ASN 99 H ASN 99 1.360 0.067 -18.240 730 HA ASN 99 HA ASN 99 0.667 2.349 -19.972 731 HB2 ASN 99 1HB ASN 99 3.250 0.907 -19.604 732 HB3 ASN 99 2HB ASN 99 2.841 1.452 -21.228 733 HD21 ASN 99 1HD2 ASN 99 4.979 2.575 -20.434 734 HD22 ASN 99 2HD2 ASN 99 4.749 4.180 -19.835 735 H GLU 100 H GLU 100 1.108 1.576 -22.397 736 HA GLU 100 HA GLU 100 -0.931 -0.020 -23.200 737 HB2 GLU 100 1HB GLU 100 1.750 0.500 -24.451 738 HB3 GLU 100 2HB GLU 100 0.582 -0.551 -25.240 739 HG2 GLU 100 1HG GLU 100 -0.275 2.159 -24.354 740 HG3 GLU 100 2HG GLU 100 0.699 1.993 -25.814 741 H LYS 101 H LYS 101 2.331 -1.087 -22.346 742 HA LYS 101 HA LYS 101 1.746 -3.854 -22.903 743 HB2 LYS 101 1HB LYS 101 4.100 -2.343 -21.842 744 HB3 LYS 101 2HB LYS 101 4.022 -4.083 -21.601 745 HG2 LYS 101 1HG LYS 101 3.633 -2.919 -24.326 746 HG3 LYS 101 2HG LYS 101 5.254 -3.141 -23.665 747 HD2 LYS 101 1HD LYS 101 5.012 -5.466 -23.548 748 HD3 LYS 101 2HD LYS 101 3.253 -5.379 -23.679 749 HE2 LYS 101 1HE LYS 101 3.758 -6.024 -25.807 750 HE3 LYS 101 2HE LYS 101 3.844 -4.274 -26.008 751 HZ1 LYS 101 1HZ LYS 101 6.080 -6.191 -25.726 752 HZ2 LYS 101 2HZ LYS 101 6.293 -4.528 -25.506 753 HZ3 LYS 101 3HZ LYS 101 5.771 -5.123 -27.001 754 H GLY 102 H GLY 102 2.476 -1.988 -19.948 755 HA2 GLY 102 1HA GLY 102 0.496 -2.950 -18.327 756 HA3 GLY 102 2HA GLY 102 1.753 -4.174 -18.230 757 H TYR 103 H TYR 103 2.368 -3.865 -16.137 758 HA TYR 103 HA TYR 103 3.151 -1.172 -15.300 759 HB2 TYR 103 1HB TYR 103 2.797 -3.729 -13.726 760 HB3 TYR 103 2HB TYR 103 3.322 -2.201 -13.029 761 HD1 TYR 103 2HD TYR 103 1.756 -0.288 -12.921 762 HD2 TYR 103 1HD TYR 103 0.499 -4.126 -14.258 763 HE1 TYR 103 2HE TYR 103 -0.590 0.371 -12.588 764 HE2 TYR 103 1HE TYR 103 -1.851 -3.478 -13.930 765 HH TYR 103 HH TYR 103 -2.911 -0.468 -13.691 766 H GLY 104 H GLY 104 5.217 -0.590 -14.896 767 HA2 GLY 104 1HA GLY 104 7.291 -2.523 -15.641 768 HA3 GLY 104 2HA GLY 104 7.486 -0.778 -15.556 769 HA PRO 105 HA PRO 105 9.678 -2.060 -11.838 770 HB2 PRO 105 1HB PRO 105 10.957 0.312 -11.509 771 HB3 PRO 105 2HB PRO 105 11.500 -0.922 -12.653 772 HG2 PRO 105 1HG PRO 105 9.894 1.553 -13.157 773 HG3 PRO 105 2HG PRO 105 11.240 0.883 -14.096 774 HD2 PRO 105 1HD PRO 105 8.653 0.556 -14.823 775 HD3 PRO 105 2HD PRO 105 9.899 -0.666 -15.152 776 H ALA 106 H ALA 106 9.227 -1.760 -9.707 777 HA ALA 106 HA ALA 106 7.241 0.313 -9.054 778 HB1 ALA 106 1HB ALA 106 7.681 -2.460 -8.040 779 HB2 ALA 106 2HB ALA 106 6.899 -1.264 -7.005 780 HB3 ALA 106 3HB ALA 106 6.190 -1.678 -8.566 781 H THR 107 H THR 107 7.357 1.248 -6.886 782 HA THR 107 HA THR 107 10.151 1.530 -5.994 783 HB THR 107 HB THR 107 7.887 3.514 -5.703 784 HG1 THR 107 1HG THR 107 10.044 4.322 -7.140 785 HG21 THR 107 1HG2 THR 107 9.410 4.990 -4.700 786 HG22 THR 107 2HG2 THR 107 10.803 4.027 -5.193 787 HG23 THR 107 3HG2 THR 107 9.732 3.442 -3.920 788 H GLN 108 H GLN 108 10.665 1.224 -3.886 789 HA GLN 108 HA GLN 108 8.509 0.261 -2.139 790 HB2 GLN 108 1HB GLN 108 10.652 -1.115 -2.757 791 HB3 GLN 108 2HB GLN 108 11.418 -0.112 -1.532 792 HG2 GLN 108 1HG GLN 108 9.571 -0.854 0.031 793 HG3 GLN 108 2HG GLN 108 9.156 -2.053 -1.192 794 HE21 GLN 108 1HE2 GLN 108 9.886 -2.807 1.338 795 HE22 GLN 108 2HE2 GLN 108 11.424 -3.590 1.289 796 H ILE 109 H ILE 109 7.814 1.593 -0.617 797 HA ILE 109 HA ILE 109 9.674 3.622 0.436 798 HB ILE 109 HB ILE 109 7.821 4.635 -0.789 799 HG12 ILE 109 1HG1 ILE 109 7.334 5.046 2.161 800 HG13 ILE 109 2HG1 ILE 109 8.779 5.641 1.350 801 HG21 ILE 109 1HG2 ILE 109 5.571 4.285 0.751 802 HG22 ILE 109 2HG2 ILE 109 5.893 3.510 -0.799 803 HG23 ILE 109 3HG2 ILE 109 6.276 2.670 0.704 804 HD11 ILE 109 1HD1 ILE 109 7.642 7.259 0.218 805 HD12 ILE 109 2HD1 ILE 109 6.128 6.354 0.220 806 HD13 ILE 109 3HD1 ILE 109 6.674 7.164 1.689 807 H ARG 110 H ARG 110 9.711 4.021 2.649 808 HA ARG 110 HA ARG 110 8.340 2.008 4.310 809 HB2 ARG 110 1HB ARG 110 11.093 3.207 4.640 810 HB3 ARG 110 2HB ARG 110 10.293 2.243 5.874 811 HG2 ARG 110 1HG ARG 110 10.126 0.411 4.127 812 HG3 ARG 110 2HG ARG 110 11.251 1.374 3.168 813 HD2 ARG 110 1HD ARG 110 11.817 0.559 6.007 814 HD3 ARG 110 2HD ARG 110 12.260 -0.442 4.625 815 HE ARG 110 HE ARG 110 13.412 1.837 3.943 816 HH11 ARG 110 2HH1 ARG 110 13.324 0.230 7.029 817 HH12 ARG 110 1HH1 ARG 110 14.861 0.845 7.540 818 HH21 ARG 110 2HH2 ARG 110 15.437 2.653 4.604 819 HH22 ARG 110 1HH2 ARG 110 16.062 2.224 6.160 820 H TRP 111 H TRP 111 6.795 2.920 5.481 821 HA TRP 111 HA TRP 111 7.136 5.702 6.366 822 HB2 TRP 111 1HB TRP 111 5.123 5.147 4.991 823 HB3 TRP 111 2HB TRP 111 4.593 4.067 6.278 824 HD1 TRP 111 HD TRP 111 5.803 7.768 6.308 825 HE1 TRP 111 1HE TRP 111 4.102 9.136 7.673 826 HE3 TRP 111 3HE TRP 111 2.505 4.038 7.467 827 HZ2 TRP 111 2HZ TRP 111 1.683 8.692 9.057 828 HZ3 TRP 111 3HZ TRP 111 0.524 4.592 8.815 829 HH2 TRP 111 HH TRP 111 0.123 6.872 9.594 830 H LEU 112 H LEU 112 8.267 5.518 8.252 831 HA LEU 112 HA LEU 112 8.081 3.564 10.187 832 HB2 LEU 112 1HB LEU 112 8.947 6.388 10.136 833 HB3 LEU 112 2HB LEU 112 8.615 5.701 11.725 834 HG LEU 112 HG LEU 112 10.410 4.194 9.890 835 HD11 LEU 112 1HD1 LEU 112 11.895 6.028 11.548 836 HD12 LEU 112 2HD1 LEU 112 10.882 6.890 10.391 837 HD13 LEU 112 3HD1 LEU 112 12.046 5.693 9.823 838 HD21 LEU 112 1HD2 LEU 112 11.246 3.288 11.831 839 HD22 LEU 112 2HD2 LEU 112 9.570 3.586 12.290 840 HD23 LEU 112 3HD2 LEU 112 10.836 4.704 12.799 841 H GLN 113 H GLN 113 6.564 2.957 11.581 842 HA GLN 113 HA GLN 113 4.447 4.882 12.279 843 HB2 GLN 113 1HB GLN 113 4.253 2.064 11.331 844 HB3 GLN 113 2HB GLN 113 3.092 2.609 12.534 845 HG2 GLN 113 1HG GLN 113 3.537 4.265 10.102 846 HG3 GLN 113 2HG GLN 113 2.574 2.793 9.980 847 HE21 GLN 113 1HE2 GLN 113 0.650 2.634 11.199 848 HE22 GLN 113 2HE2 GLN 113 -0.172 4.048 11.753 849 H GLY 114 H GLY 114 3.137 3.889 14.245 850 HA2 GLY 114 1HA GLY 114 4.948 2.614 16.160 851 HA3 GLY 114 2HA GLY 114 4.332 4.210 16.563 852 H ASN 115 H ASN 115 1.724 3.976 15.594 853 HA ASN 115 HA ASN 115 0.343 2.960 17.731 854 HB2 ASN 115 1HB ASN 115 -0.540 3.231 14.853 855 HB3 ASN 115 2HB ASN 115 -1.641 2.853 16.174 856 HD21 ASN 115 1HD2 ASN 115 0.224 5.284 14.613 857 HD22 ASN 115 2HD2 ASN 115 -0.343 6.624 15.544 858 H SER 116 H SER 116 -0.130 0.999 18.475 859 HA SER 116 HA SER 116 0.434 -1.312 16.752 860 HB2 SER 116 1HB SER 116 0.513 -2.592 18.904 861 HB3 SER 116 2HB SER 116 1.729 -1.319 18.791 862 HG SER 116 HG SER 116 0.857 -0.998 20.746 863 H LYS 117 H LYS 117 -0.940 -3.316 17.641 864 HA LYS 117 HA LYS 117 -3.759 -2.455 17.658 865 HB2 LYS 117 1HB LYS 117 -4.304 -4.447 16.351 866 HB3 LYS 117 2HB LYS 117 -3.135 -3.445 15.502 867 HG2 LYS 117 1HG LYS 117 -2.142 -5.672 17.207 868 HG3 LYS 117 2HG LYS 117 -2.849 -6.044 15.633 869 HD2 LYS 117 1HD LYS 117 -0.825 -3.871 15.778 870 HD3 LYS 117 2HD LYS 117 -0.262 -5.538 15.925 871 HE2 LYS 117 1HE LYS 117 -1.003 -6.103 13.791 872 HE3 LYS 117 2HE LYS 117 -2.112 -4.735 13.710 873 HZ1 LYS 117 1HZ LYS 117 -0.026 -4.558 12.342 874 HZ2 LYS 117 2HZ LYS 117 0.828 -4.396 13.793 875 HZ3 LYS 117 3HZ LYS 117 -0.341 -3.249 13.367 876 H SER 118 H SER 118 -5.261 -3.898 18.714 877 HA SER 118 HA SER 118 -4.014 -5.253 20.996 878 HB2 SER 118 1HB SER 118 -5.860 -3.395 21.159 879 HB3 SER 118 2HB SER 118 -6.959 -4.726 20.798 880 HG SER 118 HG SER 118 -5.077 -4.676 22.923 881 H GLY 119 H GLY 119 -3.848 -7.388 20.942 882 HA2 GLY 119 1HA GLY 119 -5.951 -9.153 20.445 883 HA3 GLY 119 2HA GLY 119 -5.044 -8.996 18.948 884 HA PRO 120 HA PRO 120 -2.399 -11.177 22.426 885 HB2 PRO 120 1HB PRO 120 -3.925 -12.845 23.929 886 HB3 PRO 120 2HB PRO 120 -3.580 -11.176 24.396 887 HG2 PRO 120 1HG PRO 120 -6.021 -12.310 23.087 888 HG3 PRO 120 2HG PRO 120 -5.905 -11.126 24.402 889 HD2 PRO 120 1HD PRO 120 -6.382 -10.410 21.834 890 HD3 PRO 120 2HD PRO 120 -5.474 -9.380 22.960 891 H SER 121 H SER 121 -1.516 -13.248 22.189 892 HA SER 121 HA SER 121 -1.956 -14.595 19.833 893 HB2 SER 121 1HB SER 121 -0.473 -16.251 20.613 894 HB3 SER 121 2HB SER 121 0.002 -14.801 21.497 895 HG SER 121 HG SER 121 -1.096 -15.567 23.290 896 H SER 122 H SER 122 -2.742 -16.808 19.467 897 HA SER 122 HA SER 122 -5.019 -17.505 21.197 898 HB2 SER 122 1HB SER 122 -4.943 -17.199 18.208 899 HB3 SER 122 2HB SER 122 -6.107 -18.285 18.967 900 HG SER 122 HG SER 122 -5.822 -15.607 19.812 901 H GLY 123 H GLY 123 -5.708 -19.759 21.029 902 HA2 GLY 123 1HA GLY 123 -3.619 -21.563 20.003 903 HA3 GLY 123 2HA GLY 123 -4.158 -21.713 21.669 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.801 -14.713 -22.699 2 HA2 GLY 1 1HA GLY 1 7.289 -13.407 -25.300 3 HA3 GLY 1 2HA GLY 1 6.671 -12.754 -23.790 4 H SER 2 H SER 2 8.471 -11.561 -25.796 5 HA SER 2 HA SER 2 10.804 -11.080 -24.059 6 HB2 SER 2 1HB SER 2 12.180 -10.782 -25.959 7 HB3 SER 2 2HB SER 2 11.208 -12.206 -26.330 8 HG SER 2 HG SER 2 11.214 -9.708 -27.503 9 H SER 3 H SER 3 11.130 -9.061 -23.374 10 HA SER 3 HA SER 3 10.056 -6.799 -24.851 11 HB2 SER 3 1HB SER 3 9.121 -7.585 -22.097 12 HB3 SER 3 2HB SER 3 9.049 -5.912 -22.650 13 HG SER 3 HG SER 3 7.137 -6.695 -23.271 14 H GLY 4 H GLY 4 11.449 -5.155 -24.806 15 HA2 GLY 4 1HA GLY 4 13.851 -5.359 -23.244 16 HA3 GLY 4 2HA GLY 4 13.441 -4.069 -24.364 17 H SER 5 H SER 5 14.678 -3.216 -22.226 18 HA SER 5 HA SER 5 13.052 -2.712 -19.955 19 HB2 SER 5 1HB SER 5 15.667 -1.646 -20.963 20 HB3 SER 5 2HB SER 5 14.861 -0.838 -19.619 21 HG SER 5 HG SER 5 16.028 -2.334 -18.606 22 H SER 6 H SER 6 11.108 -1.807 -20.550 23 HA SER 6 HA SER 6 11.166 1.032 -21.087 24 HB2 SER 6 1HB SER 6 9.675 -0.795 -22.985 25 HB3 SER 6 2HB SER 6 9.756 0.965 -23.060 26 HG SER 6 HG SER 6 11.959 -0.806 -23.330 27 H GLY 7 H GLY 7 9.514 2.054 -20.105 28 HA2 GLY 7 1HA GLY 7 6.963 0.844 -19.657 29 HA3 GLY 7 2HA GLY 7 7.940 0.848 -18.196 30 HA PRO 8 HA PRO 8 5.601 4.902 -18.701 31 HB2 PRO 8 1HB PRO 8 4.109 4.679 -16.444 32 HB3 PRO 8 2HB PRO 8 3.578 4.057 -18.011 33 HG2 PRO 8 1HG PRO 8 4.824 2.594 -15.716 34 HG3 PRO 8 2HG PRO 8 3.461 2.112 -16.742 35 HD2 PRO 8 1HD PRO 8 5.966 1.147 -17.099 36 HD3 PRO 8 2HD PRO 8 4.836 1.392 -18.446 37 H GLY 9 H GLY 9 7.438 3.274 -16.265 38 HA2 GLY 9 1HA GLY 9 9.274 4.405 -15.208 39 HA3 GLY 9 2HA GLY 9 8.335 5.890 -15.256 40 H ALA 10 H ALA 10 9.495 5.303 -12.926 41 HA ALA 10 HA ALA 10 7.387 4.095 -11.264 42 HB1 ALA 10 1HB ALA 10 10.318 4.091 -11.120 43 HB2 ALA 10 2HB ALA 10 9.500 4.361 -9.580 44 HB3 ALA 10 3HB ALA 10 9.147 2.914 -10.524 45 HA PRO 11 HA PRO 11 6.397 7.982 -9.473 46 HB2 PRO 11 1HB PRO 11 5.644 7.206 -6.983 47 HB3 PRO 11 2HB PRO 11 4.660 6.908 -8.421 48 HG2 PRO 11 1HG PRO 11 6.511 5.052 -6.975 49 HG3 PRO 11 2HG PRO 11 4.896 4.733 -7.634 50 HD2 PRO 11 1HD PRO 11 7.164 3.995 -8.915 51 HD3 PRO 11 2HD PRO 11 5.688 4.465 -9.782 52 H SER 12 H SER 12 7.169 9.578 -8.078 53 HA SER 12 HA SER 12 9.412 8.881 -6.327 54 HB2 SER 12 1HB SER 12 9.473 10.883 -8.581 55 HB3 SER 12 2HB SER 12 10.594 10.974 -7.222 56 HG SER 12 HG SER 12 10.330 8.511 -8.492 57 H THR 13 H THR 13 10.069 10.819 -4.972 58 HA THR 13 HA THR 13 9.476 12.250 -3.298 59 HB THR 13 HB THR 13 7.598 13.454 -5.335 60 HG1 THR 13 1HG THR 13 9.914 14.740 -5.272 61 HG21 THR 13 1HG2 THR 13 7.890 14.135 -2.744 62 HG22 THR 13 2HG2 THR 13 7.511 15.296 -4.016 63 HG23 THR 13 3HG2 THR 13 9.174 15.107 -3.461 64 H VAL 14 H VAL 14 8.122 9.843 -3.156 65 HA VAL 14 HA VAL 14 5.310 10.149 -2.901 66 HB VAL 14 HB VAL 14 7.148 8.076 -1.696 67 HG11 VAL 14 1HG1 VAL 14 4.201 7.736 -2.112 68 HG12 VAL 14 2HG1 VAL 14 5.294 6.819 -1.072 69 HG13 VAL 14 3HG1 VAL 14 4.829 8.463 -0.633 70 HG21 VAL 14 1HG2 VAL 14 5.401 7.952 -4.152 71 HG22 VAL 14 2HG2 VAL 14 7.153 8.154 -4.158 72 HG23 VAL 14 3HG2 VAL 14 6.439 6.665 -3.539 73 H ARG 15 H ARG 15 4.345 11.395 -1.446 74 HA ARG 15 HA ARG 15 5.582 11.697 1.206 75 HB2 ARG 15 1HB ARG 15 3.835 13.495 -0.444 76 HB3 ARG 15 2HB ARG 15 3.916 13.694 1.301 77 HG2 ARG 15 1HG ARG 15 6.470 13.558 -0.205 78 HG3 ARG 15 2HG ARG 15 5.500 15.027 -0.332 79 HD2 ARG 15 1HD ARG 15 6.425 13.759 2.244 80 HD3 ARG 15 2HD ARG 15 7.174 15.155 1.470 81 HE ARG 15 HE ARG 15 4.357 15.431 2.075 82 HH11 ARG 15 2HH1 ARG 15 7.634 15.953 3.127 83 HH12 ARG 15 1HH1 ARG 15 7.212 17.204 4.249 84 HH21 ARG 15 2HH2 ARG 15 3.789 17.077 3.549 85 HH22 ARG 15 1HH2 ARG 15 5.025 17.842 4.489 86 H ILE 16 H ILE 16 4.562 10.959 2.962 87 HA ILE 16 HA ILE 16 1.755 10.105 2.672 88 HB ILE 16 HB ILE 16 3.854 8.779 4.391 89 HG12 ILE 16 1HG1 ILE 16 2.562 7.537 1.982 90 HG13 ILE 16 2HG1 ILE 16 3.979 8.564 1.796 91 HG21 ILE 16 1HG2 ILE 16 1.294 7.462 3.710 92 HG22 ILE 16 2HG2 ILE 16 2.251 7.388 5.189 93 HG23 ILE 16 3HG2 ILE 16 1.229 8.789 4.870 94 HD11 ILE 16 1HD1 ILE 16 4.806 6.898 3.759 95 HD12 ILE 16 2HD1 ILE 16 3.747 5.836 2.830 96 HD13 ILE 16 3HD1 ILE 16 5.099 6.646 2.039 97 H SER 17 H SER 17 0.352 10.912 4.096 98 HA SER 17 HA SER 17 1.403 12.121 6.567 99 HB2 SER 17 1HB SER 17 -0.440 13.269 4.512 100 HB3 SER 17 2HB SER 17 -0.684 13.708 6.202 101 HG SER 17 HG SER 17 1.924 13.834 5.282 102 H LYS 18 H LYS 18 -0.527 12.602 8.112 103 HA LYS 18 HA LYS 18 -1.920 10.075 8.467 104 HB2 LYS 18 1HB LYS 18 -0.672 11.570 10.267 105 HB3 LYS 18 2HB LYS 18 -2.241 12.360 10.360 106 HG2 LYS 18 1HG LYS 18 -2.527 10.793 11.972 107 HG3 LYS 18 2HG LYS 18 -3.078 9.859 10.579 108 HD2 LYS 18 1HD LYS 18 -0.573 9.163 10.403 109 HD3 LYS 18 2HD LYS 18 -0.503 9.676 12.091 110 HE2 LYS 18 1HE LYS 18 -2.433 8.155 12.546 111 HE3 LYS 18 2HE LYS 18 -2.283 7.558 10.894 112 HZ1 LYS 18 1HZ LYS 18 -0.543 7.110 13.198 113 HZ2 LYS 18 2HZ LYS 18 0.193 7.211 11.679 114 HZ3 LYS 18 3HZ LYS 18 -0.999 6.046 11.965 115 H ASN 19 H ASN 19 -4.017 9.749 8.075 116 HA ASN 19 HA ASN 19 -5.620 12.037 7.192 117 HB2 ASN 19 1HB ASN 19 -5.308 9.923 5.771 118 HB3 ASN 19 2HB ASN 19 -6.382 9.133 6.922 119 HD21 ASN 19 1HD2 ASN 19 -8.481 9.244 6.557 120 HD22 ASN 19 2HD2 ASN 19 -9.260 10.336 5.467 121 H VAL 20 H VAL 20 -7.840 12.227 7.871 122 HA VAL 20 HA VAL 20 -8.171 12.009 10.662 123 HB VAL 20 HB VAL 20 -10.271 12.474 8.540 124 HG11 VAL 20 1HG1 VAL 20 -11.703 13.272 10.248 125 HG12 VAL 20 2HG1 VAL 20 -11.088 11.715 10.807 126 HG13 VAL 20 3HG1 VAL 20 -10.417 13.213 11.453 127 HG21 VAL 20 1HG2 VAL 20 -9.475 14.756 10.134 128 HG22 VAL 20 2HG2 VAL 20 -8.113 14.069 9.248 129 HG23 VAL 20 3HG2 VAL 20 -9.561 14.581 8.381 130 H ASP 21 H ASP 21 -9.304 10.032 7.973 131 HA ASP 21 HA ASP 21 -10.473 8.143 9.906 132 HB2 ASP 21 1HB ASP 21 -11.138 8.822 7.066 133 HB3 ASP 21 2HB ASP 21 -11.515 7.214 7.678 134 H GLY 22 H GLY 22 -7.626 8.376 9.226 135 HA2 GLY 22 1HA GLY 22 -6.584 5.986 9.367 136 HA3 GLY 22 2HA GLY 22 -7.148 5.914 7.704 137 H ILE 23 H ILE 23 -5.318 5.928 6.539 138 HA ILE 23 HA ILE 23 -3.369 8.070 7.086 139 HB ILE 23 HB ILE 23 -2.909 5.415 5.720 140 HG12 ILE 23 1HG1 ILE 23 -1.627 6.344 8.274 141 HG13 ILE 23 2HG1 ILE 23 -3.210 5.574 8.298 142 HG21 ILE 23 1HG2 ILE 23 -1.408 7.892 5.710 143 HG22 ILE 23 2HG2 ILE 23 -0.461 6.548 6.346 144 HG23 ILE 23 3HG2 ILE 23 -1.187 6.434 4.743 145 HD11 ILE 23 1HD1 ILE 23 -1.532 3.932 8.745 146 HD12 ILE 23 2HD1 ILE 23 -2.213 3.621 7.148 147 HD13 ILE 23 3HD1 ILE 23 -0.634 4.390 7.298 148 H HIS 24 H HIS 24 -2.615 9.329 5.403 149 HA HIS 24 HA HIS 24 -4.160 9.134 2.905 150 HB2 HIS 24 1HB HIS 24 -4.440 11.202 4.336 151 HB3 HIS 24 2HB HIS 24 -2.762 11.591 3.969 152 HD1 HIS 24 1HD HIS 24 -5.365 10.304 1.533 153 HD2 HIS 24 2HD HIS 24 -3.098 13.704 2.280 154 HE1 HIS 24 1HE HIS 24 -5.781 11.832 -0.421 155 HE2 HIS 24 2HE HIS 24 -4.333 13.847 0.012 156 H LEU 25 H LEU 25 -2.933 8.005 1.509 157 HA LEU 25 HA LEU 25 -0.062 8.410 1.390 158 HB2 LEU 25 1HB LEU 25 -1.528 6.215 1.041 159 HB3 LEU 25 2HB LEU 25 -1.485 6.770 -0.632 160 HG LEU 25 HG LEU 25 1.130 6.891 -0.079 161 HD11 LEU 25 1HD1 LEU 25 -0.025 4.859 1.804 162 HD12 LEU 25 2HD1 LEU 25 1.140 6.140 2.138 163 HD13 LEU 25 3HD1 LEU 25 1.624 4.735 1.189 164 HD21 LEU 25 1HD2 LEU 25 0.063 5.689 -1.932 165 HD22 LEU 25 2HD2 LEU 25 -0.352 4.373 -0.833 166 HD23 LEU 25 3HD2 LEU 25 1.340 4.734 -1.179 167 H SER 26 H SER 26 1.050 9.405 -0.228 168 HA SER 26 HA SER 26 -0.394 10.404 -2.558 169 HB2 SER 26 1HB SER 26 1.066 12.183 -0.595 170 HB3 SER 26 2HB SER 26 0.582 12.695 -2.211 171 HG SER 26 HG SER 26 -1.598 12.143 -1.570 172 H TRP 27 H TRP 27 0.936 10.922 -4.323 173 HA TRP 27 HA TRP 27 3.803 10.688 -4.097 174 HB2 TRP 27 1HB TRP 27 4.029 8.789 -5.613 175 HB3 TRP 27 2HB TRP 27 3.103 8.323 -4.189 176 HD1 TRP 27 HD TRP 27 2.631 9.081 -7.933 177 HE1 TRP 27 1HE TRP 27 0.444 7.969 -8.714 178 HE3 TRP 27 3HE TRP 27 0.893 7.446 -3.412 179 HZ2 TRP 27 2HZ TRP 27 -1.729 6.583 -7.565 180 HZ3 TRP 27 3HZ TRP 27 -1.248 6.235 -3.339 181 HH2 TRP 27 HH TRP 27 -2.531 5.814 -5.373 182 H GLU 28 H GLU 28 4.749 10.657 -6.466 183 HA GLU 28 HA GLU 28 3.207 12.639 -8.006 184 HB2 GLU 28 1HB GLU 28 6.200 12.275 -7.797 185 HB3 GLU 28 2HB GLU 28 5.405 13.420 -8.868 186 HG2 GLU 28 1HG GLU 28 5.513 13.437 -5.872 187 HG3 GLU 28 2HG GLU 28 6.092 14.660 -7.001 188 HA PRO 29 HA PRO 29 3.109 9.944 -11.470 189 HB2 PRO 29 1HB PRO 29 3.204 11.727 -13.515 190 HB3 PRO 29 2HB PRO 29 1.777 11.511 -12.495 191 HG2 PRO 29 1HG PRO 29 3.909 13.608 -12.352 192 HG3 PRO 29 2HG PRO 29 2.152 13.786 -12.192 193 HD2 PRO 29 1HD PRO 29 3.810 13.725 -10.053 194 HD3 PRO 29 2HD PRO 29 2.154 13.088 -9.996 195 HA PRO 30 HA PRO 30 7.150 9.114 -12.993 196 HB2 PRO 30 1HB PRO 30 6.616 8.075 -15.444 197 HB3 PRO 30 2HB PRO 30 6.286 7.207 -13.939 198 HG2 PRO 30 1HG PRO 30 4.412 8.763 -15.680 199 HG3 PRO 30 2HG PRO 30 4.163 7.195 -14.889 200 HD2 PRO 30 1HD PRO 30 3.170 9.506 -13.887 201 HD3 PRO 30 2HD PRO 30 3.681 8.158 -12.851 202 H THR 31 H THR 31 8.787 10.000 -14.201 203 HA THR 31 HA THR 31 8.082 12.376 -15.757 204 HB THR 31 HB THR 31 9.737 12.620 -13.926 205 HG1 THR 31 1HG THR 31 10.049 13.369 -16.523 206 HG21 THR 31 1HG2 THR 31 11.917 11.653 -14.066 207 HG22 THR 31 2HG2 THR 31 11.584 10.989 -15.665 208 HG23 THR 31 3HG2 THR 31 10.752 10.343 -14.251 209 H SER 32 H SER 32 7.656 9.811 -16.936 210 HA SER 32 HA SER 32 9.817 9.572 -18.899 211 HB2 SER 32 1HB SER 32 7.411 7.786 -18.461 212 HB3 SER 32 2HB SER 32 8.764 7.460 -19.544 213 HG SER 32 HG SER 32 10.120 7.460 -17.677 214 HA PRO 33 HA PRO 33 7.594 11.601 -22.096 215 HB2 PRO 33 1HB PRO 33 8.508 10.261 -24.273 216 HB3 PRO 33 2HB PRO 33 9.499 11.409 -23.365 217 HG2 PRO 33 1HG PRO 33 9.452 8.420 -23.221 218 HG3 PRO 33 2HG PRO 33 10.845 9.517 -23.231 219 HD2 PRO 33 1HD PRO 33 9.887 8.400 -20.958 220 HD3 PRO 33 2HD PRO 33 10.631 10.012 -20.990 221 H SER 34 H SER 34 6.742 8.676 -20.992 222 HA SER 34 HA SER 34 5.336 7.337 -22.937 223 HB2 SER 34 1HB SER 34 4.640 7.753 -20.023 224 HB3 SER 34 2HB SER 34 3.801 6.611 -21.073 225 HG SER 34 HG SER 34 6.470 6.288 -21.262 226 H GLY 35 H GLY 35 4.039 8.240 -24.406 227 HA2 GLY 35 1HA GLY 35 2.695 10.608 -24.346 228 HA3 GLY 35 2HA GLY 35 2.121 9.210 -25.243 229 H ASN 36 H ASN 36 0.723 7.684 -24.097 230 HA ASN 36 HA ASN 36 -1.131 9.130 -22.380 231 HB2 ASN 36 1HB ASN 36 -1.407 6.352 -23.543 232 HB3 ASN 36 2HB ASN 36 -2.684 7.326 -22.822 233 HD21 ASN 36 1HD2 ASN 36 -3.645 8.923 -24.002 234 HD22 ASN 36 2HD2 ASN 36 -3.351 9.166 -25.687 235 H ILE 37 H ILE 37 -1.926 8.261 -20.399 236 HA ILE 37 HA ILE 37 -0.230 6.214 -19.149 237 HB ILE 37 HB ILE 37 -0.949 8.882 -17.934 238 HG12 ILE 37 1HG1 ILE 37 1.003 8.877 -19.453 239 HG13 ILE 37 2HG1 ILE 37 1.462 9.205 -17.785 240 HG21 ILE 37 1HG2 ILE 37 0.775 7.478 -16.229 241 HG22 ILE 37 2HG2 ILE 37 -0.915 7.892 -15.947 242 HG23 ILE 37 3HG2 ILE 37 -0.497 6.342 -16.676 243 HD11 ILE 37 1HD1 ILE 37 2.023 6.743 -17.611 244 HD12 ILE 37 2HD1 ILE 37 1.871 6.693 -19.368 245 HD13 ILE 37 3HD1 ILE 37 3.081 7.732 -18.616 246 H LEU 38 H LEU 38 -1.572 4.599 -18.692 247 HA LEU 38 HA LEU 38 -4.367 4.938 -18.287 248 HB2 LEU 38 1HB LEU 38 -2.572 2.576 -17.756 249 HB3 LEU 38 2HB LEU 38 -4.333 2.534 -17.698 250 HG LEU 38 HG LEU 38 -2.779 3.241 -20.180 251 HD11 LEU 38 1HD1 LEU 38 -3.200 0.955 -20.928 252 HD12 LEU 38 2HD1 LEU 38 -3.889 0.563 -19.353 253 HD13 LEU 38 3HD1 LEU 38 -2.182 0.983 -19.488 254 HD21 LEU 38 1HD2 LEU 38 -5.319 2.067 -20.653 255 HD22 LEU 38 2HD2 LEU 38 -4.774 3.702 -21.030 256 HD23 LEU 38 3HD2 LEU 38 -5.524 3.359 -19.470 257 H GLU 39 H GLU 39 -5.543 4.242 -16.350 258 HA GLU 39 HA GLU 39 -4.983 5.683 -14.105 259 HB2 GLU 39 1HB GLU 39 -6.474 3.073 -14.364 260 HB3 GLU 39 2HB GLU 39 -6.431 4.003 -12.872 261 HG2 GLU 39 1HG GLU 39 -7.511 5.866 -13.944 262 HG3 GLU 39 2HG GLU 39 -7.444 5.049 -15.505 263 H TYR 40 H TYR 40 -4.107 5.236 -12.051 264 HA TYR 40 HA TYR 40 -1.898 3.326 -12.136 265 HB2 TYR 40 1HB TYR 40 -2.505 5.493 -10.115 266 HB3 TYR 40 2HB TYR 40 -1.035 4.528 -10.186 267 HD1 TYR 40 2HD TYR 40 -3.046 6.965 -12.154 268 HD2 TYR 40 1HD TYR 40 0.787 5.258 -11.450 269 HE1 TYR 40 2HE TYR 40 -2.036 8.627 -13.659 270 HE2 TYR 40 1HE TYR 40 1.808 6.916 -12.953 271 HH TYR 40 HH TYR 40 -0.102 9.523 -14.381 272 H SER 41 H SER 41 -1.379 2.219 -10.012 273 HA SER 41 HA SER 41 -3.691 1.544 -8.388 274 HB2 SER 41 1HB SER 41 -2.364 -0.373 -10.278 275 HB3 SER 41 2HB SER 41 -3.066 -0.965 -8.772 276 HG SER 41 HG SER 41 -5.002 -0.645 -9.549 277 H ALA 42 H ALA 42 -3.132 1.148 -6.332 278 HA ALA 42 HA ALA 42 -0.262 0.850 -5.742 279 HB1 ALA 42 1HB ALA 42 -0.484 2.446 -4.216 280 HB2 ALA 42 2HB ALA 42 -2.137 2.694 -4.779 281 HB3 ALA 42 3HB ALA 42 -1.817 1.588 -3.443 282 H TYR 43 H TYR 43 0.447 -0.749 -4.386 283 HA TYR 43 HA TYR 43 -1.574 -2.712 -3.517 284 HB2 TYR 43 1HB TYR 43 1.257 -3.225 -4.451 285 HB3 TYR 43 2HB TYR 43 0.155 -4.452 -3.838 286 HD1 TYR 43 2HD TYR 43 0.269 -1.795 -6.466 287 HD2 TYR 43 1HD TYR 43 -1.034 -5.696 -5.376 288 HE1 TYR 43 2HE TYR 43 -0.611 -2.130 -8.738 289 HE2 TYR 43 1HE TYR 43 -1.917 -6.042 -7.646 290 HH TYR 43 HH TYR 43 -2.557 -4.898 -9.566 291 H LEU 44 H LEU 44 -1.341 -3.656 -1.503 292 HA LEU 44 HA LEU 44 0.707 -2.451 0.239 293 HB2 LEU 44 1HB LEU 44 -1.477 -1.585 0.789 294 HB3 LEU 44 2HB LEU 44 -2.136 -3.217 0.884 295 HG LEU 44 HG LEU 44 -0.536 -3.591 2.823 296 HD11 LEU 44 1HD1 LEU 44 -0.343 -0.995 3.785 297 HD12 LEU 44 2HD1 LEU 44 0.160 -0.881 2.099 298 HD13 LEU 44 3HD1 LEU 44 0.975 -2.004 3.187 299 HD21 LEU 44 1HD2 LEU 44 -2.035 -2.028 4.319 300 HD22 LEU 44 2HD2 LEU 44 -2.714 -3.441 3.511 301 HD23 LEU 44 3HD2 LEU 44 -2.939 -1.834 2.818 302 H ALA 45 H ALA 45 2.150 -3.883 0.907 303 HA ALA 45 HA ALA 45 2.164 -6.584 0.497 304 HB1 ALA 45 1HB ALA 45 3.707 -6.623 2.584 305 HB2 ALA 45 2HB ALA 45 4.199 -5.708 1.158 306 HB3 ALA 45 3HB ALA 45 3.505 -4.871 2.547 307 H ILE 46 H ILE 46 1.325 -8.363 1.433 308 HA ILE 46 HA ILE 46 -0.164 -8.032 3.950 309 HB ILE 46 HB ILE 46 -1.827 -9.694 3.053 310 HG12 ILE 46 1HG1 ILE 46 -0.598 -8.955 0.390 311 HG13 ILE 46 2HG1 ILE 46 -0.376 -10.505 1.193 312 HG21 ILE 46 1HG2 ILE 46 -1.699 -7.106 1.516 313 HG22 ILE 46 2HG2 ILE 46 -3.139 -8.039 1.918 314 HG23 ILE 46 3HG2 ILE 46 -2.221 -7.241 3.195 315 HD11 ILE 46 1HD1 ILE 46 -2.834 -9.373 -0.069 316 HD12 ILE 46 2HD1 ILE 46 -2.049 -10.929 -0.342 317 HD13 ILE 46 3HD1 ILE 46 -2.945 -10.642 1.150 318 H ARG 47 H ARG 47 0.298 -9.496 5.464 319 HA ARG 47 HA ARG 47 2.207 -11.581 4.871 320 HB2 ARG 47 1HB ARG 47 2.127 -11.995 7.322 321 HB3 ARG 47 2HB ARG 47 2.515 -10.331 6.907 322 HG2 ARG 47 1HG ARG 47 0.981 -9.877 8.486 323 HG3 ARG 47 2HG ARG 47 -0.151 -10.129 7.155 324 HD2 ARG 47 1HD ARG 47 -0.920 -11.376 9.051 325 HD3 ARG 47 2HD ARG 47 -0.329 -12.512 7.840 326 HE ARG 47 HE ARG 47 1.829 -12.176 9.398 327 HH11 ARG 47 2HH1 ARG 47 -1.501 -12.867 10.142 328 HH12 ARG 47 1HH1 ARG 47 -1.130 -13.765 11.576 329 HH21 ARG 47 2HH2 ARG 47 2.330 -13.357 11.284 330 HH22 ARG 47 1HH2 ARG 47 1.049 -14.043 12.225 331 H THR 48 H THR 48 -0.713 -11.623 3.974 332 HA THR 48 HA THR 48 -1.758 -13.964 5.333 333 HB THR 48 HB THR 48 -3.693 -13.748 3.867 334 HG1 THR 48 1HG THR 48 -1.942 -12.111 2.451 335 HG21 THR 48 1HG2 THR 48 -4.293 -12.316 5.484 336 HG22 THR 48 2HG2 THR 48 -3.874 -11.039 4.343 337 HG23 THR 48 3HG2 THR 48 -2.693 -11.577 5.537 338 H ALA 49 H ALA 49 0.693 -14.490 4.136 339 HA ALA 49 HA ALA 49 -0.101 -16.541 2.217 340 HB1 ALA 49 1HB ALA 49 0.528 -15.009 0.617 341 HB2 ALA 49 2HB ALA 49 1.780 -14.297 1.636 342 HB3 ALA 49 3HB ALA 49 2.041 -15.874 0.891 343 H GLN 50 H GLN 50 1.967 -17.895 1.652 344 HA GLN 50 HA GLN 50 3.627 -18.183 4.061 345 HB2 GLN 50 1HB GLN 50 1.923 -20.225 2.709 346 HB3 GLN 50 2HB GLN 50 3.451 -20.743 3.407 347 HG2 GLN 50 1HG GLN 50 2.729 -19.743 5.567 348 HG3 GLN 50 2HG GLN 50 1.156 -19.427 4.836 349 HE21 GLN 50 1HE2 GLN 50 2.428 -21.328 6.968 350 HE22 GLN 50 2HE2 GLN 50 1.640 -22.830 6.639 351 H MET 51 H MET 51 5.627 -17.720 3.418 352 HA MET 51 HA MET 51 6.659 -19.078 1.028 353 HB2 MET 51 1HB MET 51 7.186 -16.186 1.735 354 HB3 MET 51 2HB MET 51 7.910 -17.063 0.394 355 HG2 MET 51 1HG MET 51 4.953 -16.611 0.695 356 HG3 MET 51 2HG MET 51 6.025 -15.555 -0.222 357 HE1 MET 51 1HE MET 51 3.718 -18.908 -0.902 358 HE2 MET 51 2HE MET 51 3.436 -17.177 -0.708 359 HE3 MET 51 3HE MET 51 3.544 -17.879 -2.324 360 H GLN 52 H GLN 52 7.982 -20.519 1.984 361 HA GLN 52 HA GLN 52 9.770 -19.604 4.118 362 HB2 GLN 52 1HB GLN 52 8.542 -21.595 4.674 363 HB3 GLN 52 2HB GLN 52 9.017 -22.369 3.168 364 HG2 GLN 52 1HG GLN 52 11.161 -22.784 3.899 365 HG3 GLN 52 2HG GLN 52 11.108 -21.504 5.109 366 HE21 GLN 52 1HE2 GLN 52 11.995 -23.231 6.471 367 HE22 GLN 52 2HE2 GLN 52 10.895 -24.307 7.257 368 H ASP 53 H ASP 53 9.972 -21.698 1.235 369 HA ASP 53 HA ASP 53 12.825 -21.143 1.039 370 HB2 ASP 53 1HB ASP 53 10.965 -23.142 -0.167 371 HB3 ASP 53 2HB ASP 53 12.448 -22.753 -1.033 372 H ASN 54 H ASN 54 12.609 -18.901 0.479 373 HA ASN 54 HA ASN 54 12.681 -18.447 -2.318 374 HB2 ASN 54 1HB ASN 54 10.177 -17.744 -0.837 375 HB3 ASN 54 2HB ASN 54 10.735 -16.678 -2.123 376 HD21 ASN 54 1HD2 ASN 54 8.856 -19.296 -1.420 377 HD22 ASN 54 2HD2 ASN 54 8.717 -19.976 -3.002 378 HA PRO 55 HA PRO 55 15.017 -14.964 -1.027 379 HB2 PRO 55 1HB PRO 55 14.591 -13.215 -3.059 380 HB3 PRO 55 2HB PRO 55 15.590 -14.662 -3.232 381 HG2 PRO 55 1HG PRO 55 12.744 -14.216 -4.047 382 HG3 PRO 55 2HG PRO 55 14.048 -15.029 -4.933 383 HD2 PRO 55 1HD PRO 55 12.141 -16.390 -3.576 384 HD3 PRO 55 2HD PRO 55 13.803 -16.990 -3.747 385 H SER 56 H SER 56 14.915 -12.755 -0.307 386 HA SER 56 HA SER 56 12.711 -12.101 1.210 387 HB2 SER 56 1HB SER 56 14.751 -11.007 1.718 388 HB3 SER 56 2HB SER 56 14.913 -10.376 0.079 389 HG SER 56 HG SER 56 13.297 -9.491 2.183 390 H GLN 57 H GLN 57 10.701 -11.818 0.500 391 HA GLN 57 HA GLN 57 10.173 -9.738 -1.452 392 HB2 GLN 57 1HB GLN 57 10.444 -12.063 -2.601 393 HB3 GLN 57 2HB GLN 57 8.856 -12.391 -1.920 394 HG2 GLN 57 1HG GLN 57 7.805 -10.894 -3.282 395 HG3 GLN 57 2HG GLN 57 9.235 -9.878 -3.454 396 HE21 GLN 57 1HE2 GLN 57 7.939 -10.312 -5.687 397 HE22 GLN 57 2HE2 GLN 57 8.735 -11.470 -6.692 398 H LEU 58 H LEU 58 7.755 -9.395 -1.687 399 HA LEU 58 HA LEU 58 6.203 -10.281 0.614 400 HB2 LEU 58 1HB LEU 58 6.350 -7.352 -0.011 401 HB3 LEU 58 2HB LEU 58 5.688 -8.140 1.420 402 HG LEU 58 HG LEU 58 8.612 -8.362 0.860 403 HD11 LEU 58 1HD1 LEU 58 8.868 -6.151 0.883 404 HD12 LEU 58 2HD1 LEU 58 8.382 -6.213 2.576 405 HD13 LEU 58 3HD1 LEU 58 7.183 -5.879 1.327 406 HD21 LEU 58 1HD2 LEU 58 7.239 -9.523 2.732 407 HD22 LEU 58 2HD2 LEU 58 7.278 -7.937 3.503 408 HD23 LEU 58 3HD2 LEU 58 8.786 -8.774 3.129 409 H VAL 59 H VAL 59 4.203 -10.772 0.005 410 HA VAL 59 HA VAL 59 3.318 -10.273 -2.668 411 HB VAL 59 HB VAL 59 1.817 -11.434 -0.316 412 HG11 VAL 59 1HG1 VAL 59 0.878 -12.298 -2.881 413 HG12 VAL 59 2HG1 VAL 59 -0.008 -11.498 -1.581 414 HG13 VAL 59 3HG1 VAL 59 0.839 -10.537 -2.794 415 HG21 VAL 59 1HG2 VAL 59 3.480 -12.974 -0.689 416 HG22 VAL 59 2HG2 VAL 59 2.242 -13.551 -1.805 417 HG23 VAL 59 3HG2 VAL 59 3.596 -12.596 -2.408 418 H PHE 60 H PHE 60 2.722 -8.277 -3.235 419 HA PHE 60 HA PHE 60 1.197 -6.637 -1.350 420 HB2 PHE 60 1HB PHE 60 2.246 -5.780 -4.046 421 HB3 PHE 60 2HB PHE 60 1.766 -4.757 -2.696 422 HD1 PHE 60 2HD PHE 60 3.218 -4.496 -0.756 423 HD2 PHE 60 1HD PHE 60 4.401 -6.826 -4.115 424 HE1 PHE 60 2HE PHE 60 5.547 -4.447 0.035 425 HE2 PHE 60 1HE PHE 60 6.732 -6.782 -3.329 426 HZ PHE 60 HZ PHE 60 7.308 -5.590 -1.252 427 H MET 61 H MET 61 -0.917 -6.271 -1.570 428 HA MET 61 HA MET 61 -2.226 -7.230 -4.026 429 HB2 MET 61 1HB MET 61 -4.237 -7.546 -2.682 430 HB3 MET 61 2HB MET 61 -2.884 -8.425 -1.983 431 HG2 MET 61 1HG MET 61 -2.657 -6.893 -0.222 432 HG3 MET 61 2HG MET 61 -3.668 -5.696 -1.027 433 HE1 MET 61 1HE MET 61 -6.084 -5.411 0.728 434 HE2 MET 61 2HE MET 61 -5.651 -6.442 2.092 435 HE3 MET 61 3HE MET 61 -4.416 -5.464 1.299 436 H ARG 62 H ARG 62 -3.640 -5.932 -5.125 437 HA ARG 62 HA ARG 62 -3.312 -3.141 -4.926 438 HB2 ARG 62 1HB ARG 62 -3.862 -4.108 -7.049 439 HB3 ARG 62 2HB ARG 62 -5.335 -4.823 -6.406 440 HG2 ARG 62 1HG ARG 62 -6.230 -2.543 -6.045 441 HG3 ARG 62 2HG ARG 62 -4.786 -1.893 -6.824 442 HD2 ARG 62 1HD ARG 62 -6.479 -1.976 -8.482 443 HD3 ARG 62 2HD ARG 62 -5.365 -3.298 -8.827 444 HE ARG 62 HE ARG 62 -7.668 -4.002 -7.222 445 HH11 ARG 62 2HH1 ARG 62 -6.290 -3.787 -10.411 446 HH12 ARG 62 1HH1 ARG 62 -7.379 -4.945 -11.102 447 HH21 ARG 62 2HH2 ARG 62 -9.107 -5.528 -8.118 448 HH22 ARG 62 1HH2 ARG 62 -8.981 -5.934 -9.797 449 H ILE 63 H ILE 63 -4.166 -1.787 -3.506 450 HA ILE 63 HA ILE 63 -6.678 -2.536 -2.168 451 HB ILE 63 HB ILE 63 -6.027 -0.953 -0.393 452 HG12 ILE 63 1HG1 ILE 63 -3.321 -0.804 -1.714 453 HG13 ILE 63 2HG1 ILE 63 -4.561 0.414 -1.989 454 HG21 ILE 63 1HG2 ILE 63 -5.425 -3.031 0.295 455 HG22 ILE 63 2HG2 ILE 63 -4.411 -3.326 -1.117 456 HG23 ILE 63 3HG2 ILE 63 -3.816 -2.316 0.200 457 HD11 ILE 63 1HD1 ILE 63 -2.955 -0.148 0.438 458 HD12 ILE 63 2HD1 ILE 63 -3.405 1.392 -0.295 459 HD13 ILE 63 3HD1 ILE 63 -4.590 0.482 0.642 460 H TYR 64 H TYR 64 -5.046 -0.017 -3.968 461 HA TYR 64 HA TYR 64 -7.561 1.520 -4.009 462 HB2 TYR 64 1HB TYR 64 -6.144 3.047 -3.046 463 HB3 TYR 64 2HB TYR 64 -4.715 2.377 -3.827 464 HD1 TYR 64 1HD TYR 64 -7.576 4.647 -4.228 465 HD2 TYR 64 2HD TYR 64 -4.019 3.136 -6.007 466 HE1 TYR 64 1HE TYR 64 -7.652 6.451 -5.898 467 HE2 TYR 64 2HE TYR 64 -4.084 4.937 -7.681 468 HH TYR 64 HH TYR 64 -5.024 7.146 -7.973 469 H CYS 65 H CYS 65 -8.485 1.905 -5.930 470 HA CYS 65 HA CYS 65 -6.932 1.306 -8.360 471 HB2 CYS 65 1HB CYS 65 -8.681 -0.442 -7.670 472 HB3 CYS 65 2HB CYS 65 -9.885 0.763 -8.109 473 HG CYS 65 HG CYS 65 -10.010 -0.386 -10.430 474 H GLY 66 H GLY 66 -6.504 3.434 -8.867 475 HA2 GLY 66 1HA GLY 66 -8.616 4.862 -10.174 476 HA3 GLY 66 2HA GLY 66 -8.127 5.637 -8.675 477 H LEU 67 H LEU 67 -7.659 7.369 -10.334 478 HA LEU 67 HA LEU 67 -5.009 6.970 -11.549 479 HB2 LEU 67 1HB LEU 67 -5.531 8.770 -13.048 480 HB3 LEU 67 2HB LEU 67 -6.832 7.583 -13.087 481 HG LEU 67 HG LEU 67 -7.047 10.049 -11.395 482 HD11 LEU 67 1HD1 LEU 67 -8.296 10.068 -14.068 483 HD12 LEU 67 2HD1 LEU 67 -6.552 10.321 -14.016 484 HD13 LEU 67 3HD1 LEU 67 -7.626 11.392 -13.115 485 HD21 LEU 67 1HD2 LEU 67 -9.508 9.485 -12.332 486 HD22 LEU 67 2HD2 LEU 67 -8.854 8.823 -10.833 487 HD23 LEU 67 3HD2 LEU 67 -8.803 7.869 -12.316 488 H LYS 68 H LYS 68 -6.935 9.141 -9.545 489 HA LYS 68 HA LYS 68 -5.339 11.287 -9.154 490 HB2 LYS 68 1HB LYS 68 -7.544 10.556 -7.962 491 HB3 LYS 68 2HB LYS 68 -6.460 9.913 -6.735 492 HG2 LYS 68 1HG LYS 68 -6.915 12.008 -5.913 493 HG3 LYS 68 2HG LYS 68 -5.412 12.290 -6.794 494 HD2 LYS 68 1HD LYS 68 -6.680 13.123 -8.706 495 HD3 LYS 68 2HD LYS 68 -8.192 12.811 -7.851 496 HE2 LYS 68 1HE LYS 68 -6.060 14.617 -6.742 497 HE3 LYS 68 2HE LYS 68 -7.313 15.204 -7.835 498 HZ1 LYS 68 1HZ LYS 68 -7.800 13.867 -5.228 499 HZ2 LYS 68 2HZ LYS 68 -8.988 14.471 -6.268 500 HZ3 LYS 68 3HZ LYS 68 -7.910 15.531 -5.510 501 H THR 69 H THR 69 -3.489 11.822 -8.079 502 HA THR 69 HA THR 69 -1.699 9.635 -7.436 503 HB THR 69 HB THR 69 0.002 11.428 -7.124 504 HG1 THR 69 1HG THR 69 -0.568 13.493 -7.185 505 HG21 THR 69 1HG2 THR 69 -1.570 11.154 -9.653 506 HG22 THR 69 2HG2 THR 69 0.060 10.593 -9.279 507 HG23 THR 69 3HG2 THR 69 -0.237 12.305 -9.577 508 H SER 70 H SER 70 -3.892 9.904 -5.658 509 HA SER 70 HA SER 70 -2.506 9.907 -3.172 510 HB2 SER 70 1HB SER 70 -3.602 11.776 -2.090 511 HB3 SER 70 2HB SER 70 -2.785 12.365 -3.538 512 HG SER 70 HG SER 70 -5.358 12.560 -2.904 513 H CYS 71 H CYS 71 -3.457 8.405 -1.974 514 HA CYS 71 HA CYS 71 -6.364 8.031 -2.209 515 HB2 CYS 71 1HB CYS 71 -6.124 5.640 -2.240 516 HB3 CYS 71 2HB CYS 71 -5.110 6.301 -3.517 517 HG CYS 71 HG CYS 71 -3.748 4.159 -2.397 518 H THR 72 H THR 72 -7.242 6.694 -0.374 519 HA THR 72 HA THR 72 -5.773 7.296 2.111 520 HB THR 72 HB THR 72 -8.768 7.335 1.689 521 HG1 THR 72 1HG THR 72 -8.526 9.429 1.457 522 HG21 THR 72 1HG2 THR 72 -8.450 6.588 3.895 523 HG22 THR 72 2HG2 THR 72 -8.677 8.330 4.049 524 HG23 THR 72 3HG2 THR 72 -7.057 7.640 4.142 525 H VAL 73 H VAL 73 -5.372 5.632 3.422 526 HA VAL 73 HA VAL 73 -6.632 3.051 2.803 527 HB VAL 73 HB VAL 73 -4.120 3.626 4.382 528 HG11 VAL 73 1HG1 VAL 73 -4.524 1.598 5.243 529 HG12 VAL 73 2HG1 VAL 73 -5.751 1.224 4.031 530 HG13 VAL 73 3HG1 VAL 73 -4.043 0.991 3.659 531 HG21 VAL 73 1HG2 VAL 73 -2.879 3.227 2.516 532 HG22 VAL 73 2HG2 VAL 73 -4.086 2.155 1.806 533 HG23 VAL 73 3HG2 VAL 73 -4.314 3.902 1.743 534 H THR 74 H THR 74 -7.951 2.078 4.210 535 HA THR 74 HA THR 74 -8.572 3.441 6.700 536 HB THR 74 HB THR 74 -10.407 1.732 6.869 537 HG1 THR 74 1HG THR 74 -10.010 1.066 4.184 538 HG21 THR 74 1HG2 THR 74 -10.101 3.819 4.845 539 HG22 THR 74 2HG2 THR 74 -11.430 3.512 5.962 540 HG23 THR 74 3HG2 THR 74 -11.333 2.624 4.442 541 H ALA 75 H ALA 75 -8.708 2.328 8.732 542 HA ALA 75 HA ALA 75 -6.432 0.937 9.465 543 HB1 ALA 75 1HB ALA 75 -7.760 2.049 11.117 544 HB2 ALA 75 2HB ALA 75 -9.138 0.999 10.788 545 HB3 ALA 75 3HB ALA 75 -7.683 0.337 11.533 546 H GLY 76 H GLY 76 -9.687 -0.390 8.856 547 HA2 GLY 76 1HA GLY 76 -9.431 -3.009 9.383 548 HA3 GLY 76 2HA GLY 76 -10.246 -2.445 7.932 549 H GLN 77 H GLN 77 -8.231 -1.530 6.374 550 HA GLN 77 HA GLN 77 -7.085 -3.950 5.409 551 HB2 GLN 77 1HB GLN 77 -6.664 -1.066 4.624 552 HB3 GLN 77 2HB GLN 77 -5.921 -2.420 3.782 553 HG2 GLN 77 1HG GLN 77 -8.015 -3.237 3.054 554 HG3 GLN 77 2HG GLN 77 -8.891 -2.155 4.135 555 HE21 GLN 77 1HE2 GLN 77 -7.557 -2.575 1.054 556 HE22 GLN 77 2HE2 GLN 77 -7.841 -0.983 0.446 557 H LEU 78 H LEU 78 -5.772 -1.098 7.051 558 HA LEU 78 HA LEU 78 -3.087 -1.554 6.939 559 HB2 LEU 78 1HB LEU 78 -4.858 -0.436 9.059 560 HB3 LEU 78 2HB LEU 78 -3.150 -0.686 9.416 561 HG LEU 78 HG LEU 78 -4.144 0.980 7.110 562 HD11 LEU 78 1HD1 LEU 78 -4.913 2.249 8.856 563 HD12 LEU 78 2HD1 LEU 78 -3.256 2.839 8.729 564 HD13 LEU 78 3HD1 LEU 78 -3.680 1.662 9.972 565 HD21 LEU 78 1HD2 LEU 78 -1.514 1.440 8.339 566 HD22 LEU 78 2HD2 LEU 78 -1.988 1.416 6.640 567 HD23 LEU 78 3HD2 LEU 78 -1.691 -0.098 7.496 568 H ALA 79 H ALA 79 -5.402 -3.089 9.136 569 HA ALA 79 HA ALA 79 -3.695 -4.492 10.781 570 HB1 ALA 79 1HB ALA 79 -6.111 -5.919 9.815 571 HB2 ALA 79 2HB ALA 79 -5.519 -5.674 11.459 572 HB3 ALA 79 3HB ALA 79 -6.337 -4.361 10.612 573 H ASN 80 H ASN 80 -4.834 -5.368 7.545 574 HA ASN 80 HA ASN 80 -3.514 -7.904 7.524 575 HB2 ASN 80 1HB ASN 80 -4.308 -6.430 5.032 576 HB3 ASN 80 2HB ASN 80 -4.344 -8.161 5.354 577 HD21 ASN 80 1HD2 ASN 80 -6.336 -5.909 4.594 578 HD22 ASN 80 2HD2 ASN 80 -7.700 -6.256 5.596 579 H ALA 81 H ALA 81 -2.621 -4.650 6.729 580 HA ALA 81 HA ALA 81 -0.476 -5.118 4.992 581 HB1 ALA 81 1HB ALA 81 -0.381 -2.902 5.014 582 HB2 ALA 81 2HB ALA 81 -1.621 -2.898 6.268 583 HB3 ALA 81 3HB ALA 81 0.085 -2.895 6.715 584 H HIS 82 H HIS 82 1.392 -6.122 5.300 585 HA HIS 82 HA HIS 82 2.198 -7.060 7.867 586 HB2 HIS 82 1HB HIS 82 2.819 -8.494 6.141 587 HB3 HIS 82 2HB HIS 82 3.367 -7.177 5.109 588 HD1 HIS 82 1HD HIS 82 4.608 -9.763 7.285 589 HD2 HIS 82 2HD HIS 82 5.874 -5.970 6.158 590 HE1 HIS 82 1HE HIS 82 7.054 -9.672 7.862 591 HE2 HIS 82 2HE HIS 82 7.778 -7.338 7.250 592 H ILE 83 H ILE 83 3.322 -6.018 9.363 593 HA ILE 83 HA ILE 83 4.561 -3.472 8.729 594 HB ILE 83 HB ILE 83 4.407 -4.871 11.400 595 HG12 ILE 83 1HG1 ILE 83 2.165 -4.460 10.467 596 HG13 ILE 83 2HG1 ILE 83 2.479 -3.434 11.862 597 HG21 ILE 83 1HG2 ILE 83 4.481 -1.988 11.441 598 HG22 ILE 83 2HG2 ILE 83 5.531 -3.152 12.249 599 HG23 ILE 83 3HG2 ILE 83 5.879 -2.650 10.594 600 HD11 ILE 83 1HD1 ILE 83 2.779 -1.528 10.507 601 HD12 ILE 83 2HD1 ILE 83 2.848 -2.498 9.035 602 HD13 ILE 83 3HD1 ILE 83 1.329 -2.340 9.917 603 H ASP 84 H ASP 84 6.531 -3.555 7.858 604 HA ASP 84 HA ASP 84 8.376 -5.682 8.366 605 HB2 ASP 84 1HB ASP 84 8.600 -4.771 6.229 606 HB3 ASP 84 2HB ASP 84 8.483 -3.114 6.816 607 H TYR 85 H TYR 85 9.041 -5.802 10.451 608 HA TYR 85 HA TYR 85 9.916 -3.406 11.847 609 HB2 TYR 85 1HB TYR 85 9.501 -6.272 12.649 610 HB3 TYR 85 2HB TYR 85 10.396 -5.169 13.688 611 HD1 TYR 85 1HD TYR 85 9.174 -2.904 14.226 612 HD2 TYR 85 2HD TYR 85 7.207 -6.439 12.907 613 HE1 TYR 85 1HE TYR 85 7.061 -2.074 15.172 614 HE2 TYR 85 2HE TYR 85 5.088 -5.618 13.848 615 HH TYR 85 HH TYR 85 4.680 -2.394 14.922 616 H THR 86 H THR 86 11.343 -4.807 9.508 617 HA THR 86 HA THR 86 13.750 -5.919 10.400 618 HB THR 86 HB THR 86 14.664 -5.340 8.181 619 HG1 THR 86 1HG THR 86 13.141 -3.311 8.249 620 HG21 THR 86 1HG2 THR 86 13.087 -6.622 6.849 621 HG22 THR 86 2HG2 THR 86 11.818 -6.343 8.042 622 HG23 THR 86 3HG2 THR 86 13.223 -7.324 8.460 623 H SER 87 H SER 87 14.160 -4.475 12.251 624 HA SER 87 HA SER 87 15.374 -2.859 13.295 625 HB2 SER 87 1HB SER 87 17.005 -3.741 11.410 626 HB3 SER 87 2HB SER 87 16.757 -2.126 10.747 627 HG SER 87 HG SER 87 17.693 -2.755 13.353 628 H ARG 88 H ARG 88 12.869 -2.210 11.807 629 HA ARG 88 HA ARG 88 12.744 0.527 12.354 630 HB2 ARG 88 1HB ARG 88 14.182 0.823 10.416 631 HB3 ARG 88 2HB ARG 88 13.089 -0.134 9.425 632 HG2 ARG 88 1HG ARG 88 11.328 1.616 9.922 633 HG3 ARG 88 2HG ARG 88 12.639 2.601 10.574 634 HD2 ARG 88 1HD ARG 88 13.769 2.033 8.269 635 HD3 ARG 88 2HD ARG 88 12.102 1.759 7.766 636 HE ARG 88 HE ARG 88 11.911 4.164 8.893 637 HH11 ARG 88 2HH1 ARG 88 14.244 2.883 6.649 638 HH12 ARG 88 1HH1 ARG 88 14.563 4.414 5.904 639 HH21 ARG 88 2HH2 ARG 88 12.321 6.186 7.920 640 HH22 ARG 88 1HH2 ARG 88 13.469 6.293 6.628 641 HA PRO 89 HA PRO 89 8.635 -1.321 12.143 642 HB2 PRO 89 1HB PRO 89 7.495 0.496 13.806 643 HB3 PRO 89 2HB PRO 89 8.441 -0.878 14.389 644 HG2 PRO 89 1HG PRO 89 9.270 1.976 14.031 645 HG3 PRO 89 2HG PRO 89 9.618 0.870 15.373 646 HD2 PRO 89 1HD PRO 89 11.417 1.404 13.421 647 HD3 PRO 89 2HD PRO 89 11.331 -0.171 14.235 648 H ALA 90 H ALA 90 8.404 -0.703 9.914 649 HA ALA 90 HA ALA 90 6.716 1.666 9.600 650 HB1 ALA 90 1HB ALA 90 8.777 1.121 7.507 651 HB2 ALA 90 2HB ALA 90 7.920 2.618 7.876 652 HB3 ALA 90 3HB ALA 90 9.204 2.051 8.944 653 H ILE 91 H ILE 91 5.714 1.669 7.332 654 HA ILE 91 HA ILE 91 4.836 -1.073 6.754 655 HB ILE 91 HB ILE 91 3.525 1.558 6.060 656 HG12 ILE 91 1HG1 ILE 91 2.737 -0.578 8.055 657 HG13 ILE 91 2HG1 ILE 91 3.449 0.979 8.462 658 HG21 ILE 91 1HG2 ILE 91 3.240 -0.516 4.514 659 HG22 ILE 91 2HG2 ILE 91 2.200 -1.106 5.810 660 HG23 ILE 91 3HG2 ILE 91 1.823 0.415 5.001 661 HD11 ILE 91 1HD1 ILE 91 0.710 0.348 7.479 662 HD12 ILE 91 2HD1 ILE 91 1.219 1.364 8.829 663 HD13 ILE 91 3HD1 ILE 91 1.407 1.939 7.173 664 H VAL 92 H VAL 92 5.296 -2.020 4.872 665 HA VAL 92 HA VAL 92 6.871 -0.563 2.918 666 HB VAL 92 HB VAL 92 6.065 -3.474 2.996 667 HG11 VAL 92 1HG1 VAL 92 6.735 -2.194 0.760 668 HG12 VAL 92 2HG1 VAL 92 8.356 -2.516 1.378 669 HG13 VAL 92 3HG1 VAL 92 7.241 -3.851 1.088 670 HG21 VAL 92 1HG2 VAL 92 7.547 -2.749 4.841 671 HG22 VAL 92 2HG2 VAL 92 8.316 -3.905 3.753 672 HG23 VAL 92 3HG2 VAL 92 8.717 -2.191 3.645 673 H PHE 93 H PHE 93 5.802 0.616 1.468 674 HA PHE 93 HA PHE 93 3.277 -0.420 0.380 675 HB2 PHE 93 1HB PHE 93 4.415 2.363 0.573 676 HB3 PHE 93 2HB PHE 93 3.060 1.985 -0.485 677 HD1 PHE 93 2HD PHE 93 1.093 0.674 0.702 678 HD2 PHE 93 1HD PHE 93 3.965 3.101 2.695 679 HE1 PHE 93 2HE PHE 93 -0.459 0.952 2.591 680 HE2 PHE 93 1HE PHE 93 2.419 3.382 4.588 681 HZ PHE 93 HZ PHE 93 0.203 2.309 4.537 682 H ARG 94 H ARG 94 2.871 0.072 -1.947 683 HA ARG 94 HA ARG 94 5.276 0.213 -3.594 684 HB2 ARG 94 1HB ARG 94 3.495 -2.157 -3.328 685 HB3 ARG 94 2HB ARG 94 4.079 -1.756 -4.938 686 HG2 ARG 94 1HG ARG 94 6.025 -1.918 -2.688 687 HG3 ARG 94 2HG ARG 94 5.404 -3.405 -3.409 688 HD2 ARG 94 1HD ARG 94 6.287 -2.875 -5.521 689 HD3 ARG 94 2HD ARG 94 6.550 -1.188 -5.079 690 HE ARG 94 HE ARG 94 8.518 -1.788 -4.025 691 HH11 ARG 94 2HH1 ARG 94 6.751 -4.624 -5.003 692 HH12 ARG 94 1HH1 ARG 94 8.072 -5.706 -4.715 693 HH21 ARG 94 2HH2 ARG 94 10.265 -3.203 -3.642 694 HH22 ARG 94 1HH2 ARG 94 10.071 -4.897 -3.940 695 H ILE 95 H ILE 95 4.962 1.475 -5.309 696 HA ILE 95 HA ILE 95 2.237 1.798 -6.359 697 HB ILE 95 HB ILE 95 4.147 4.088 -5.886 698 HG12 ILE 95 1HG1 ILE 95 1.494 3.778 -4.526 699 HG13 ILE 95 2HG1 ILE 95 2.903 2.944 -3.882 700 HG21 ILE 95 1HG2 ILE 95 2.057 3.830 -7.712 701 HG22 ILE 95 2HG2 ILE 95 1.397 4.788 -6.387 702 HG23 ILE 95 3HG2 ILE 95 2.860 5.320 -7.216 703 HD11 ILE 95 1HD1 ILE 95 3.744 5.562 -4.318 704 HD12 ILE 95 2HD1 ILE 95 2.128 5.695 -3.624 705 HD13 ILE 95 3HD1 ILE 95 3.382 4.794 -2.773 706 H SER 96 H SER 96 2.099 1.751 -8.521 707 HA SER 96 HA SER 96 4.475 2.299 -10.134 708 HB2 SER 96 1HB SER 96 4.233 -0.212 -9.599 709 HB3 SER 96 2HB SER 96 2.839 -0.171 -10.679 710 HG SER 96 HG SER 96 5.307 -0.488 -11.385 711 H ALA 97 H ALA 97 3.952 2.461 -12.469 712 HA ALA 97 HA ALA 97 1.279 3.636 -12.809 713 HB1 ALA 97 1HB ALA 97 2.368 4.701 -14.855 714 HB2 ALA 97 2HB ALA 97 2.894 5.272 -13.270 715 HB3 ALA 97 3HB ALA 97 3.900 4.145 -14.181 716 H LYS 98 H LYS 98 0.044 3.182 -14.660 717 HA LYS 98 HA LYS 98 0.746 0.638 -15.966 718 HB2 LYS 98 1HB LYS 98 -1.302 0.563 -14.606 719 HB3 LYS 98 2HB LYS 98 -1.977 1.887 -15.546 720 HG2 LYS 98 1HG LYS 98 -2.975 0.144 -16.598 721 HG3 LYS 98 2HG LYS 98 -1.491 0.228 -17.549 722 HD2 LYS 98 1HD LYS 98 -0.500 -1.505 -16.095 723 HD3 LYS 98 2HD LYS 98 -2.030 -1.617 -15.222 724 HE2 LYS 98 1HE LYS 98 -1.787 -2.061 -18.189 725 HE3 LYS 98 2HE LYS 98 -1.644 -3.360 -17.007 726 HZ1 LYS 98 1HZ LYS 98 -3.975 -2.242 -18.081 727 HZ2 LYS 98 2HZ LYS 98 -3.958 -1.907 -16.424 728 HZ3 LYS 98 3HZ LYS 98 -3.837 -3.505 -16.965 729 H ASN 99 H ASN 99 0.890 0.525 -18.137 730 HA ASN 99 HA ASN 99 0.096 2.897 -19.691 731 HB2 ASN 99 1HB ASN 99 2.656 2.425 -19.243 732 HB3 ASN 99 2HB ASN 99 2.446 1.257 -20.544 733 HD21 ASN 99 1HD2 ASN 99 4.183 3.216 -20.970 734 HD22 ASN 99 2HD2 ASN 99 3.558 4.385 -22.077 735 H GLU 100 H GLU 100 -0.125 2.416 -22.056 736 HA GLU 100 HA GLU 100 -2.087 0.708 -22.675 737 HB2 GLU 100 1HB GLU 100 -0.848 2.333 -24.215 738 HB3 GLU 100 2HB GLU 100 0.248 1.001 -24.556 739 HG2 GLU 100 1HG GLU 100 -1.302 -0.159 -25.753 740 HG3 GLU 100 2HG GLU 100 -2.663 0.520 -24.862 741 H LYS 101 H LYS 101 1.320 -0.168 -22.434 742 HA LYS 101 HA LYS 101 0.911 -2.879 -23.276 743 HB2 LYS 101 1HB LYS 101 3.240 -1.520 -21.913 744 HB3 LYS 101 2HB LYS 101 3.260 -3.192 -22.456 745 HG2 LYS 101 1HG LYS 101 2.481 -1.204 -24.482 746 HG3 LYS 101 2HG LYS 101 4.153 -1.125 -23.922 747 HD2 LYS 101 1HD LYS 101 4.160 -2.582 -25.782 748 HD3 LYS 101 2HD LYS 101 4.272 -3.619 -24.358 749 HE2 LYS 101 1HE LYS 101 1.546 -3.019 -25.313 750 HE3 LYS 101 2HE LYS 101 2.532 -4.018 -26.379 751 HZ1 LYS 101 1HZ LYS 101 3.010 -5.304 -24.189 752 HZ2 LYS 101 2HZ LYS 101 1.574 -5.585 -25.036 753 HZ3 LYS 101 3HZ LYS 101 1.567 -4.593 -23.666 754 H GLY 102 H GLY 102 1.881 -1.469 -20.138 755 HA2 GLY 102 1HA GLY 102 0.050 -2.769 -18.537 756 HA3 GLY 102 2HA GLY 102 1.388 -3.894 -18.717 757 H TYR 103 H TYR 103 2.017 -3.813 -16.575 758 HA TYR 103 HA TYR 103 2.725 -1.226 -15.427 759 HB2 TYR 103 1HB TYR 103 2.524 -4.013 -14.302 760 HB3 TYR 103 2HB TYR 103 3.272 -2.702 -13.397 761 HD1 TYR 103 2HD TYR 103 1.830 -0.555 -13.091 762 HD2 TYR 103 1HD TYR 103 0.232 -4.356 -14.141 763 HE1 TYR 103 2HE TYR 103 -0.382 0.160 -12.289 764 HE2 TYR 103 1HE TYR 103 -1.985 -3.651 -13.343 765 HH TYR 103 HH TYR 103 -3.222 -1.925 -12.629 766 H GLY 104 H GLY 104 4.802 -0.706 -14.696 767 HA2 GLY 104 1HA GLY 104 6.948 -2.334 -15.911 768 HA3 GLY 104 2HA GLY 104 7.006 -0.583 -15.772 769 HA PRO 105 HA PRO 105 9.549 -1.718 -12.254 770 HB2 PRO 105 1HB PRO 105 10.496 0.792 -11.835 771 HB3 PRO 105 2HB PRO 105 11.131 -0.277 -13.091 772 HG2 PRO 105 1HG PRO 105 9.157 1.961 -13.328 773 HG3 PRO 105 2HG PRO 105 10.520 1.554 -14.387 774 HD2 PRO 105 1HD PRO 105 7.963 0.895 -14.985 775 HD3 PRO 105 2HD PRO 105 9.345 -0.108 -15.469 776 H ALA 106 H ALA 106 9.233 -1.589 -10.076 777 HA ALA 106 HA ALA 106 7.082 0.203 -9.151 778 HB1 ALA 106 1HB ALA 106 6.925 -2.471 -9.151 779 HB2 ALA 106 2HB ALA 106 7.686 -2.224 -7.579 780 HB3 ALA 106 3HB ALA 106 6.139 -1.458 -7.939 781 H THR 107 H THR 107 7.340 1.288 -7.216 782 HA THR 107 HA THR 107 10.080 1.286 -6.137 783 HB THR 107 HB THR 107 8.043 3.513 -5.959 784 HG1 THR 107 1HG THR 107 8.883 3.049 -8.125 785 HG21 THR 107 1HG2 THR 107 11.011 3.511 -5.399 786 HG22 THR 107 2HG2 THR 107 9.750 3.464 -4.166 787 HG23 THR 107 3HG2 THR 107 9.906 4.873 -5.216 788 H GLN 108 H GLN 108 10.425 1.183 -3.942 789 HA GLN 108 HA GLN 108 8.075 0.456 -2.327 790 HB2 GLN 108 1HB GLN 108 9.582 -1.392 -2.472 791 HB3 GLN 108 2HB GLN 108 10.968 -0.371 -2.113 792 HG2 GLN 108 1HG GLN 108 8.798 -0.543 -0.096 793 HG3 GLN 108 2HG GLN 108 9.871 -1.928 -0.293 794 HE21 GLN 108 1HE2 GLN 108 9.487 0.115 1.874 795 HE22 GLN 108 2HE2 GLN 108 11.077 0.713 2.189 796 H ILE 109 H ILE 109 7.920 1.217 -0.180 797 HA ILE 109 HA ILE 109 9.797 3.235 0.729 798 HB ILE 109 HB ILE 109 8.229 4.516 -0.678 799 HG12 ILE 109 1HG1 ILE 109 7.581 5.221 2.164 800 HG13 ILE 109 2HG1 ILE 109 9.248 5.298 1.603 801 HG21 ILE 109 1HG2 ILE 109 6.321 2.805 0.194 802 HG22 ILE 109 2HG2 ILE 109 5.986 4.217 1.195 803 HG23 ILE 109 3HG2 ILE 109 5.988 4.363 -0.562 804 HD11 ILE 109 1HD1 ILE 109 6.994 7.076 1.066 805 HD12 ILE 109 2HD1 ILE 109 8.729 7.394 1.046 806 HD13 ILE 109 3HD1 ILE 109 7.951 6.661 -0.356 807 H ARG 110 H ARG 110 9.980 3.227 2.889 808 HA ARG 110 HA ARG 110 8.083 1.577 4.400 809 HB2 ARG 110 1HB ARG 110 10.969 2.232 4.688 810 HB3 ARG 110 2HB ARG 110 10.054 1.963 6.165 811 HG2 ARG 110 1HG ARG 110 9.285 -0.216 5.106 812 HG3 ARG 110 2HG ARG 110 10.551 0.053 3.907 813 HD2 ARG 110 1HD ARG 110 11.001 -0.047 6.886 814 HD3 ARG 110 2HD ARG 110 11.250 -1.406 5.791 815 HE ARG 110 HE ARG 110 12.704 1.009 5.133 816 HH11 ARG 110 2HH1 ARG 110 12.732 -2.066 6.764 817 HH12 ARG 110 1HH1 ARG 110 14.461 -2.186 6.786 818 HH21 ARG 110 2HH2 ARG 110 14.981 0.863 5.155 819 HH22 ARG 110 1HH2 ARG 110 15.738 -0.519 5.871 820 H TRP 111 H TRP 111 6.440 2.925 4.961 821 HA TRP 111 HA TRP 111 6.952 5.585 5.960 822 HB2 TRP 111 1HB TRP 111 4.950 5.090 4.598 823 HB3 TRP 111 2HB TRP 111 4.368 4.012 5.863 824 HD1 TRP 111 HD TRP 111 5.433 7.750 5.652 825 HE1 TRP 111 1HE TRP 111 3.791 9.114 7.091 826 HE3 TRP 111 3HE TRP 111 2.521 3.930 7.402 827 HZ2 TRP 111 2HZ TRP 111 1.557 8.633 8.748 828 HZ3 TRP 111 3HZ TRP 111 0.652 4.467 8.909 829 HH2 TRP 111 HH TRP 111 0.182 6.770 9.568 830 H LEU 112 H LEU 112 7.993 5.555 7.889 831 HA LEU 112 HA LEU 112 7.655 3.712 9.952 832 HB2 LEU 112 1HB LEU 112 8.748 6.462 9.739 833 HB3 LEU 112 2HB LEU 112 8.412 5.841 11.354 834 HG LEU 112 HG LEU 112 10.100 4.270 9.440 835 HD11 LEU 112 1HD1 LEU 112 11.070 6.471 11.258 836 HD12 LEU 112 2HD1 LEU 112 11.062 6.514 9.495 837 HD13 LEU 112 3HD1 LEU 112 12.085 5.355 10.344 838 HD21 LEU 112 1HD2 LEU 112 9.190 3.356 11.628 839 HD22 LEU 112 2HD2 LEU 112 10.272 4.493 12.433 840 HD23 LEU 112 3HD2 LEU 112 10.933 3.238 11.384 841 H GLN 113 H GLN 113 6.157 3.418 11.478 842 HA GLN 113 HA GLN 113 3.986 5.391 11.662 843 HB2 GLN 113 1HB GLN 113 2.626 3.549 12.570 844 HB3 GLN 113 2HB GLN 113 3.257 3.177 10.971 845 HG2 GLN 113 1HG GLN 113 4.829 1.662 11.821 846 HG3 GLN 113 2HG GLN 113 4.631 2.254 13.469 847 HE21 GLN 113 1HE2 GLN 113 3.496 0.990 14.740 848 HE22 GLN 113 2HE2 GLN 113 2.259 -0.111 14.250 849 H GLY 114 H GLY 114 6.315 6.001 13.027 850 HA2 GLY 114 1HA GLY 114 6.434 5.093 15.683 851 HA3 GLY 114 2HA GLY 114 7.072 6.624 15.102 852 H ASN 115 H ASN 115 4.783 7.923 14.302 853 HA ASN 115 HA ASN 115 3.615 8.561 16.882 854 HB2 ASN 115 1HB ASN 115 3.764 9.892 14.219 855 HB3 ASN 115 2HB ASN 115 2.421 10.319 15.276 856 HD21 ASN 115 1HD2 ASN 115 5.584 10.963 14.473 857 HD22 ASN 115 2HD2 ASN 115 6.031 11.889 15.862 858 H SER 116 H SER 116 2.030 7.209 17.483 859 HA SER 116 HA SER 116 -0.246 6.902 15.652 860 HB2 SER 116 1HB SER 116 1.089 4.815 15.604 861 HB3 SER 116 2HB SER 116 0.899 4.673 17.352 862 HG SER 116 HG SER 116 -1.426 4.686 16.903 863 H LYS 117 H LYS 117 -1.582 8.290 16.710 864 HA LYS 117 HA LYS 117 -1.960 7.971 19.594 865 HB2 LYS 117 1HB LYS 117 -3.415 10.036 19.297 866 HB3 LYS 117 2HB LYS 117 -1.694 10.243 18.999 867 HG2 LYS 117 1HG LYS 117 -2.021 10.255 16.643 868 HG3 LYS 117 2HG LYS 117 -3.707 9.759 16.817 869 HD2 LYS 117 1HD LYS 117 -3.816 11.974 18.272 870 HD3 LYS 117 2HD LYS 117 -2.445 12.416 17.252 871 HE2 LYS 117 1HE LYS 117 -3.743 12.129 15.267 872 HE3 LYS 117 2HE LYS 117 -5.077 11.420 16.176 873 HZ1 LYS 117 1HZ LYS 117 -4.901 13.748 17.398 874 HZ2 LYS 117 2HZ LYS 117 -5.845 13.525 16.012 875 HZ3 LYS 117 3HZ LYS 117 -4.307 14.216 15.884 876 H SER 118 H SER 118 -3.114 6.025 19.625 877 HA SER 118 HA SER 118 -5.847 6.200 18.533 878 HB2 SER 118 1HB SER 118 -4.385 4.454 17.458 879 HB3 SER 118 2HB SER 118 -4.298 3.648 19.024 880 HG SER 118 HG SER 118 -6.054 3.124 17.318 881 H GLY 119 H GLY 119 -5.228 7.274 21.019 882 HA2 GLY 119 1HA GLY 119 -6.432 7.285 23.027 883 HA3 GLY 119 2HA GLY 119 -6.934 5.631 22.708 884 HA PRO 120 HA PRO 120 -3.268 5.983 25.765 885 HB2 PRO 120 1HB PRO 120 -4.623 5.796 28.110 886 HB3 PRO 120 2HB PRO 120 -4.234 7.342 27.347 887 HG2 PRO 120 1HG PRO 120 -6.798 5.798 27.297 888 HG3 PRO 120 2HG PRO 120 -6.545 7.540 27.508 889 HD2 PRO 120 1HD PRO 120 -7.292 6.453 25.144 890 HD3 PRO 120 2HD PRO 120 -6.272 7.902 25.248 891 H SER 121 H SER 121 -2.501 3.974 25.382 892 HA SER 121 HA SER 121 -3.428 1.801 26.978 893 HB2 SER 121 1HB SER 121 -5.089 1.743 25.116 894 HB3 SER 121 2HB SER 121 -3.759 1.499 23.984 895 HG SER 121 HG SER 121 -3.365 -0.314 25.755 896 H SER 122 H SER 122 -1.951 0.105 27.074 897 HA SER 122 HA SER 122 0.719 0.692 26.695 898 HB2 SER 122 1HB SER 122 -0.542 -2.061 26.756 899 HB3 SER 122 2HB SER 122 1.157 -1.699 27.061 900 HG SER 122 HG SER 122 -0.484 -0.191 28.607 901 H GLY 123 H GLY 123 2.276 -0.634 25.319 902 HA2 GLY 123 1HA GLY 123 1.232 -0.698 22.557 903 HA3 GLY 123 2HA GLY 123 2.879 -0.255 22.982 Start of MODEL 19 1 H1 GLY 1 H GLY 1 14.546 -7.093 -29.959 2 HA2 GLY 1 1HA GLY 1 15.434 -8.577 -27.892 3 HA3 GLY 1 2HA GLY 1 16.921 -8.246 -28.768 4 H SER 2 H SER 2 14.081 -6.583 -27.416 5 HA SER 2 HA SER 2 15.884 -4.397 -26.606 6 HB2 SER 2 1HB SER 2 13.202 -4.286 -27.930 7 HB3 SER 2 2HB SER 2 13.653 -3.004 -26.806 8 HG SER 2 HG SER 2 14.680 -3.621 -29.313 9 H SER 3 H SER 3 16.154 -5.052 -24.507 10 HA SER 3 HA SER 3 13.715 -5.270 -22.868 11 HB2 SER 3 1HB SER 3 16.447 -6.509 -22.530 12 HB3 SER 3 2HB SER 3 15.264 -6.456 -21.223 13 HG SER 3 HG SER 3 14.472 -8.185 -22.098 14 H GLY 4 H GLY 4 13.377 -3.208 -22.197 15 HA2 GLY 4 1HA GLY 4 14.123 -1.971 -20.093 16 HA3 GLY 4 2HA GLY 4 15.648 -1.796 -20.950 17 H SER 5 H SER 5 13.779 0.247 -19.948 18 HA SER 5 HA SER 5 13.046 2.303 -20.594 19 HB2 SER 5 1HB SER 5 15.178 2.165 -22.010 20 HB3 SER 5 2HB SER 5 14.121 1.742 -23.357 21 HG SER 5 HG SER 5 14.523 3.994 -23.251 22 H SER 6 H SER 6 11.231 0.226 -20.645 23 HA SER 6 HA SER 6 9.541 0.940 -22.951 24 HB2 SER 6 1HB SER 6 9.924 -1.723 -21.593 25 HB3 SER 6 2HB SER 6 8.491 -1.375 -22.559 26 HG SER 6 HG SER 6 9.966 -0.856 -24.295 27 H GLY 7 H GLY 7 9.491 -0.225 -19.588 28 HA2 GLY 7 1HA GLY 7 6.734 0.536 -19.230 29 HA3 GLY 7 2HA GLY 7 7.818 -0.079 -17.991 30 HA PRO 8 HA PRO 8 7.152 4.652 -17.788 31 HB2 PRO 8 1HB PRO 8 5.273 4.746 -15.831 32 HB3 PRO 8 2HB PRO 8 4.867 4.687 -17.550 33 HG2 PRO 8 1HG PRO 8 4.912 2.472 -15.537 34 HG3 PRO 8 2HG PRO 8 3.711 2.815 -16.796 35 HD2 PRO 8 1HD PRO 8 5.620 0.917 -17.083 36 HD3 PRO 8 2HD PRO 8 4.989 1.851 -18.454 37 H GLY 9 H GLY 9 8.174 5.888 -16.243 38 HA2 GLY 9 1HA GLY 9 9.916 4.603 -14.446 39 HA3 GLY 9 2HA GLY 9 9.576 6.327 -14.479 40 H ALA 10 H ALA 10 10.041 5.382 -12.073 41 HA ALA 10 HA ALA 10 7.490 4.663 -10.831 42 HB1 ALA 10 1HB ALA 10 10.341 4.436 -10.036 43 HB2 ALA 10 2HB ALA 10 9.140 4.618 -8.757 44 HB3 ALA 10 3HB ALA 10 9.025 3.270 -9.888 45 HA PRO 11 HA PRO 11 6.694 8.725 -9.351 46 HB2 PRO 11 1HB PRO 11 5.270 8.138 -7.115 47 HB3 PRO 11 2HB PRO 11 4.619 7.947 -8.748 48 HG2 PRO 11 1HG PRO 11 5.780 5.882 -6.918 49 HG3 PRO 11 2HG PRO 11 4.336 5.784 -7.942 50 HD2 PRO 11 1HD PRO 11 6.706 4.686 -8.656 51 HD3 PRO 11 2HD PRO 11 5.561 5.342 -9.844 52 H SER 12 H SER 12 8.387 9.858 -8.595 53 HA SER 12 HA SER 12 9.746 8.987 -6.159 54 HB2 SER 12 1HB SER 12 10.420 10.955 -8.333 55 HB3 SER 12 2HB SER 12 11.281 10.976 -6.794 56 HG SER 12 HG SER 12 11.920 9.527 -8.782 57 H THR 13 H THR 13 10.131 10.435 -4.409 58 HA THR 13 HA THR 13 9.649 12.111 -2.927 59 HB THR 13 HB THR 13 7.878 13.412 -4.989 60 HG1 THR 13 1HG THR 13 10.607 13.056 -5.019 61 HG21 THR 13 1HG2 THR 13 9.456 14.410 -2.620 62 HG22 THR 13 2HG2 THR 13 7.704 14.413 -2.827 63 HG23 THR 13 3HG2 THR 13 8.711 15.472 -3.814 64 H VAL 14 H VAL 14 8.197 9.725 -2.961 65 HA VAL 14 HA VAL 14 5.388 10.176 -2.819 66 HB VAL 14 HB VAL 14 7.031 7.918 -1.664 67 HG11 VAL 14 1HG1 VAL 14 4.193 7.529 -2.374 68 HG12 VAL 14 2HG1 VAL 14 5.134 6.860 -1.039 69 HG13 VAL 14 3HG1 VAL 14 4.510 8.507 -0.941 70 HG21 VAL 14 1HG2 VAL 14 5.365 7.481 -4.046 71 HG22 VAL 14 2HG2 VAL 14 6.759 8.534 -4.289 72 HG23 VAL 14 3HG2 VAL 14 6.986 6.898 -3.671 73 H ARG 15 H ARG 15 4.485 11.437 -1.332 74 HA ARG 15 HA ARG 15 5.642 11.531 1.362 75 HB2 ARG 15 1HB ARG 15 3.924 13.401 -0.228 76 HB3 ARG 15 2HB ARG 15 3.917 13.495 1.528 77 HG2 ARG 15 1HG ARG 15 6.434 13.633 -0.107 78 HG3 ARG 15 2HG ARG 15 5.493 15.055 0.347 79 HD2 ARG 15 1HD ARG 15 6.671 13.058 2.276 80 HD3 ARG 15 2HD ARG 15 7.377 14.625 1.881 81 HE ARG 15 HE ARG 15 4.898 15.283 2.709 82 HH11 ARG 15 2HH1 ARG 15 7.404 13.295 4.084 83 HH12 ARG 15 1HH1 ARG 15 6.948 13.627 5.722 84 HH21 ARG 15 2HH2 ARG 15 4.288 15.727 4.861 85 HH22 ARG 15 1HH2 ARG 15 5.175 15.010 6.163 86 H ILE 16 H ILE 16 4.429 11.118 3.192 87 HA ILE 16 HA ILE 16 1.733 10.016 2.758 88 HB ILE 16 HB ILE 16 3.815 8.862 4.617 89 HG12 ILE 16 1HG1 ILE 16 2.680 7.801 2.020 90 HG13 ILE 16 2HG1 ILE 16 4.326 8.373 2.275 91 HG21 ILE 16 1HG2 ILE 16 1.064 8.767 4.824 92 HG22 ILE 16 2HG2 ILE 16 1.476 7.246 4.036 93 HG23 ILE 16 3HG2 ILE 16 2.206 7.661 5.586 94 HD11 ILE 16 1HD1 ILE 16 4.892 6.292 2.755 95 HD12 ILE 16 2HD1 ILE 16 3.904 6.406 4.212 96 HD13 ILE 16 3HD1 ILE 16 3.207 5.774 2.720 97 H SER 17 H SER 17 0.249 11.009 3.939 98 HA SER 17 HA SER 17 1.071 12.257 6.479 99 HB2 SER 17 1HB SER 17 -0.955 13.289 4.479 100 HB3 SER 17 2HB SER 17 -0.625 14.013 6.053 101 HG SER 17 HG SER 17 0.520 14.792 4.007 102 H LYS 18 H LYS 18 -0.139 11.836 8.239 103 HA LYS 18 HA LYS 18 -2.052 9.719 8.116 104 HB2 LYS 18 1HB LYS 18 -0.447 10.185 10.022 105 HB3 LYS 18 2HB LYS 18 -1.499 11.520 10.474 106 HG2 LYS 18 1HG LYS 18 -2.287 9.870 11.842 107 HG3 LYS 18 2HG LYS 18 -3.351 9.670 10.448 108 HD2 LYS 18 1HD LYS 18 -1.464 8.019 9.656 109 HD3 LYS 18 2HD LYS 18 -1.090 7.961 11.380 110 HE2 LYS 18 1HE LYS 18 -3.835 7.468 10.240 111 HE3 LYS 18 2HE LYS 18 -2.670 6.188 10.573 112 HZ1 LYS 18 1HZ LYS 18 -3.579 8.107 12.640 113 HZ2 LYS 18 2HZ LYS 18 -2.736 6.659 12.868 114 HZ3 LYS 18 3HZ LYS 18 -4.350 6.626 12.362 115 H ASN 19 H ASN 19 -4.153 9.875 7.726 116 HA ASN 19 HA ASN 19 -5.447 12.499 8.022 117 HB2 ASN 19 1HB ASN 19 -5.397 11.360 5.748 118 HB3 ASN 19 2HB ASN 19 -6.490 10.157 6.427 119 HD21 ASN 19 1HD2 ASN 19 -8.585 10.540 6.301 120 HD22 ASN 19 2HD2 ASN 19 -9.313 12.066 5.946 121 H VAL 20 H VAL 20 -7.695 12.519 8.745 122 HA VAL 20 HA VAL 20 -8.061 11.196 11.178 123 HB VAL 20 HB VAL 20 -9.218 13.277 10.660 124 HG11 VAL 20 1HG1 VAL 20 -11.230 11.901 8.965 125 HG12 VAL 20 2HG1 VAL 20 -10.705 13.585 8.959 126 HG13 VAL 20 3HG1 VAL 20 -9.691 12.342 8.225 127 HG21 VAL 20 1HG2 VAL 20 -10.159 11.855 12.389 128 HG22 VAL 20 2HG2 VAL 20 -11.447 12.685 11.514 129 HG23 VAL 20 3HG2 VAL 20 -11.109 10.985 11.184 130 H ASP 21 H ASP 21 -9.321 10.467 7.953 131 HA ASP 21 HA ASP 21 -10.930 8.271 8.807 132 HB2 ASP 21 1HB ASP 21 -9.954 9.211 6.117 133 HB3 ASP 21 2HB ASP 21 -10.881 7.724 6.296 134 H GLY 22 H GLY 22 -7.603 8.656 7.851 135 HA2 GLY 22 1HA GLY 22 -6.700 6.293 8.967 136 HA3 GLY 22 2HA GLY 22 -7.074 5.914 7.292 137 H ILE 23 H ILE 23 -5.463 6.130 5.898 138 HA ILE 23 HA ILE 23 -3.268 7.976 6.583 139 HB ILE 23 HB ILE 23 -3.066 5.375 5.061 140 HG12 ILE 23 1HG1 ILE 23 -1.810 6.010 7.724 141 HG13 ILE 23 2HG1 ILE 23 -3.429 5.327 7.612 142 HG21 ILE 23 1HG2 ILE 23 -1.274 7.664 5.358 143 HG22 ILE 23 2HG2 ILE 23 -0.528 6.116 5.750 144 HG23 ILE 23 3HG2 ILE 23 -1.266 6.363 4.168 145 HD11 ILE 23 1HD1 ILE 23 -2.579 3.364 6.527 146 HD12 ILE 23 2HD1 ILE 23 -0.962 4.063 6.446 147 HD13 ILE 23 3HD1 ILE 23 -1.666 3.648 8.008 148 H HIS 24 H HIS 24 -2.564 9.373 5.051 149 HA HIS 24 HA HIS 24 -4.039 9.386 2.508 150 HB2 HIS 24 1HB HIS 24 -4.311 11.390 3.915 151 HB3 HIS 24 2HB HIS 24 -2.568 11.642 3.888 152 HD1 HIS 24 1HD HIS 24 -4.925 13.538 2.714 153 HD2 HIS 24 2HD HIS 24 -2.265 11.168 0.576 154 HE1 HIS 24 1HE HIS 24 -4.813 14.557 0.417 155 HE2 HIS 24 2HE HIS 24 -3.263 13.056 -0.883 156 H LEU 25 H LEU 25 -2.838 8.178 1.130 157 HA LEU 25 HA LEU 25 0.044 8.493 1.018 158 HB2 LEU 25 1HB LEU 25 -1.479 6.344 0.658 159 HB3 LEU 25 2HB LEU 25 -1.435 6.910 -1.011 160 HG LEU 25 HG LEU 25 1.178 6.950 -0.522 161 HD11 LEU 25 1HD1 LEU 25 1.676 6.089 1.470 162 HD12 LEU 25 2HD1 LEU 25 1.211 4.527 0.795 163 HD13 LEU 25 3HD1 LEU 25 0.038 5.478 1.706 164 HD21 LEU 25 1HD2 LEU 25 0.164 5.733 -2.331 165 HD22 LEU 25 2HD2 LEU 25 -0.468 4.521 -1.217 166 HD23 LEU 25 3HD2 LEU 25 1.272 4.662 -1.473 167 H SER 26 H SER 26 1.072 9.844 -0.295 168 HA SER 26 HA SER 26 -0.294 10.776 -2.727 169 HB2 SER 26 1HB SER 26 0.702 13.043 -2.311 170 HB3 SER 26 2HB SER 26 -0.529 12.576 -1.139 171 HG SER 26 HG SER 26 1.535 13.499 -0.323 172 H TRP 27 H TRP 27 1.019 11.201 -4.493 173 HA TRP 27 HA TRP 27 3.893 11.008 -4.267 174 HB2 TRP 27 1HB TRP 27 4.163 9.074 -5.689 175 HB3 TRP 27 2HB TRP 27 3.147 8.631 -4.320 176 HD1 TRP 27 HD TRP 27 2.841 9.469 -8.079 177 HE1 TRP 27 1HE TRP 27 0.726 8.316 -8.986 178 HE3 TRP 27 3HE TRP 27 0.985 7.610 -3.693 179 HZ2 TRP 27 2HZ TRP 27 -1.442 6.817 -7.976 180 HZ3 TRP 27 3HZ TRP 27 -1.115 6.328 -3.750 181 HH2 TRP 27 HH TRP 27 -2.302 5.941 -5.848 182 H GLU 28 H GLU 28 4.935 11.198 -6.470 183 HA GLU 28 HA GLU 28 3.262 12.904 -8.196 184 HB2 GLU 28 1HB GLU 28 6.226 13.058 -7.630 185 HB3 GLU 28 2HB GLU 28 5.402 14.018 -8.852 186 HG2 GLU 28 1HG GLU 28 4.730 14.077 -5.921 187 HG3 GLU 28 2HG GLU 28 5.820 15.211 -6.716 188 HA PRO 29 HA PRO 29 3.964 10.135 -11.534 189 HB2 PRO 29 1HB PRO 29 3.768 11.854 -13.626 190 HB3 PRO 29 2HB PRO 29 2.371 11.331 -12.679 191 HG2 PRO 29 1HG PRO 29 3.947 13.868 -12.485 192 HG3 PRO 29 2HG PRO 29 2.190 13.635 -12.428 193 HD2 PRO 29 1HD PRO 29 3.685 14.000 -10.200 194 HD3 PRO 29 2HD PRO 29 2.221 12.996 -10.213 195 HA PRO 30 HA PRO 30 8.162 10.239 -12.842 196 HB2 PRO 30 1HB PRO 30 8.017 9.134 -15.317 197 HB3 PRO 30 2HB PRO 30 7.799 8.198 -13.834 198 HG2 PRO 30 1HG PRO 30 5.732 9.319 -15.686 199 HG3 PRO 30 2HG PRO 30 5.792 7.727 -14.908 200 HD2 PRO 30 1HD PRO 30 4.253 9.749 -13.972 201 HD3 PRO 30 2HD PRO 30 4.989 8.536 -12.905 202 H THR 31 H THR 31 9.674 11.277 -14.205 203 HA THR 31 HA THR 31 8.578 13.611 -15.588 204 HB THR 31 HB THR 31 10.311 13.984 -13.857 205 HG1 THR 31 1HG THR 31 11.575 14.681 -16.257 206 HG21 THR 31 1HG2 THR 31 12.709 13.438 -14.721 207 HG22 THR 31 2HG2 THR 31 11.888 12.201 -15.672 208 HG23 THR 31 3HG2 THR 31 11.770 12.184 -13.913 209 H SER 32 H SER 32 8.438 11.019 -16.840 210 HA SER 32 HA SER 32 10.078 11.582 -19.215 211 HB2 SER 32 1HB SER 32 10.514 9.221 -19.540 212 HB3 SER 32 2HB SER 32 11.040 9.675 -17.920 213 HG SER 32 HG SER 32 9.877 7.894 -17.556 214 HA PRO 33 HA PRO 33 6.206 11.398 -21.317 215 HB2 PRO 33 1HB PRO 33 7.148 11.102 -23.846 216 HB3 PRO 33 2HB PRO 33 7.224 12.633 -22.965 217 HG2 PRO 33 1HG PRO 33 9.359 10.574 -23.372 218 HG3 PRO 33 2HG PRO 33 9.476 12.341 -23.465 219 HD2 PRO 33 1HD PRO 33 10.279 10.940 -21.291 220 HD3 PRO 33 2HD PRO 33 9.606 12.579 -21.176 221 H SER 34 H SER 34 5.785 9.274 -20.254 222 HA SER 34 HA SER 34 6.395 6.920 -21.850 223 HB2 SER 34 1HB SER 34 5.114 7.346 -19.158 224 HB3 SER 34 2HB SER 34 5.050 5.780 -19.966 225 HG SER 34 HG SER 34 7.235 5.619 -19.841 226 H GLY 35 H GLY 35 4.847 8.643 -23.294 227 HA2 GLY 35 1HA GLY 35 2.845 8.867 -24.412 228 HA3 GLY 35 2HA GLY 35 2.813 7.114 -24.295 229 H ASN 36 H ASN 36 0.473 7.402 -24.259 230 HA ASN 36 HA ASN 36 -0.988 8.788 -22.382 231 HB2 ASN 36 1HB ASN 36 -1.526 6.136 -23.716 232 HB3 ASN 36 2HB ASN 36 -2.705 6.923 -22.672 233 HD21 ASN 36 1HD2 ASN 36 -3.539 8.967 -23.307 234 HD22 ASN 36 2HD2 ASN 36 -3.558 9.428 -24.972 235 H ILE 37 H ILE 37 -0.969 8.757 -20.242 236 HA ILE 37 HA ILE 37 0.053 6.399 -18.847 237 HB ILE 37 HB ILE 37 -0.548 9.169 -17.804 238 HG12 ILE 37 1HG1 ILE 37 1.370 9.112 -19.328 239 HG13 ILE 37 2HG1 ILE 37 1.899 9.393 -17.673 240 HG21 ILE 37 1HG2 ILE 37 -0.079 8.491 -15.712 241 HG22 ILE 37 2HG2 ILE 37 -0.544 6.905 -16.325 242 HG23 ILE 37 3HG2 ILE 37 1.160 7.354 -16.247 243 HD11 ILE 37 1HD1 ILE 37 2.547 7.236 -19.492 244 HD12 ILE 37 2HD1 ILE 37 3.366 7.767 -18.023 245 HD13 ILE 37 3HD1 ILE 37 2.002 6.654 -17.919 246 H LEU 38 H LEU 38 -1.685 4.991 -18.896 247 HA LEU 38 HA LEU 38 -4.353 5.606 -18.389 248 HB2 LEU 38 1HB LEU 38 -2.867 3.056 -17.773 249 HB3 LEU 38 2HB LEU 38 -4.620 3.225 -17.840 250 HG LEU 38 HG LEU 38 -2.795 3.688 -20.194 251 HD11 LEU 38 1HD1 LEU 38 -2.576 1.485 -20.343 252 HD12 LEU 38 2HD1 LEU 38 -4.317 1.386 -20.604 253 HD13 LEU 38 3HD1 LEU 38 -3.660 1.228 -18.975 254 HD21 LEU 38 1HD2 LEU 38 -5.063 4.789 -20.140 255 HD22 LEU 38 2HD2 LEU 38 -5.759 3.169 -20.143 256 HD23 LEU 38 3HD2 LEU 38 -4.770 3.706 -21.501 257 H GLU 39 H GLU 39 -5.477 4.406 -16.391 258 HA GLU 39 HA GLU 39 -5.103 6.003 -14.168 259 HB2 GLU 39 1HB GLU 39 -6.528 4.460 -12.964 260 HB3 GLU 39 2HB GLU 39 -7.127 4.652 -14.606 261 HG2 GLU 39 1HG GLU 39 -5.667 2.314 -13.424 262 HG3 GLU 39 2HG GLU 39 -7.293 2.361 -14.104 263 H TYR 40 H TYR 40 -4.840 4.655 -11.889 264 HA TYR 40 HA TYR 40 -2.181 3.394 -12.038 265 HB2 TYR 40 1HB TYR 40 -3.210 5.405 -10.033 266 HB3 TYR 40 2HB TYR 40 -1.751 4.454 -9.785 267 HD1 TYR 40 2HD TYR 40 -3.268 6.656 -12.401 268 HD2 TYR 40 1HD TYR 40 0.256 5.432 -10.354 269 HE1 TYR 40 2HE TYR 40 -1.969 8.334 -13.645 270 HE2 TYR 40 1HE TYR 40 1.564 7.108 -11.591 271 HH TYR 40 HH TYR 40 0.052 9.525 -13.568 272 H SER 41 H SER 41 -1.667 2.183 -9.950 273 HA SER 41 HA SER 41 -3.980 1.070 -8.593 274 HB2 SER 41 1HB SER 41 -3.531 -0.247 -10.770 275 HB3 SER 41 2HB SER 41 -2.097 -0.854 -9.943 276 HG SER 41 HG SER 41 -3.323 -2.124 -8.811 277 H ALA 42 H ALA 42 -3.471 0.996 -6.517 278 HA ALA 42 HA ALA 42 -0.652 0.838 -5.737 279 HB1 ALA 42 1HB ALA 42 -1.606 1.464 -3.457 280 HB2 ALA 42 2HB ALA 42 -1.683 2.686 -4.727 281 HB3 ALA 42 3HB ALA 42 -3.124 1.761 -4.304 282 H TYR 43 H TYR 43 0.123 -0.688 -4.289 283 HA TYR 43 HA TYR 43 -1.694 -2.914 -3.648 284 HB2 TYR 43 1HB TYR 43 1.187 -3.191 -4.524 285 HB3 TYR 43 2HB TYR 43 0.087 -4.505 -4.123 286 HD1 TYR 43 2HD TYR 43 0.421 -1.626 -6.474 287 HD2 TYR 43 1HD TYR 43 -1.093 -5.549 -5.824 288 HE1 TYR 43 2HE TYR 43 -0.298 -1.732 -8.824 289 HE2 TYR 43 1HE TYR 43 -1.815 -5.666 -8.173 290 HH TYR 43 HH TYR 43 -0.738 -3.914 -10.516 291 H LEU 44 H LEU 44 -1.076 -4.188 -1.797 292 HA LEU 44 HA LEU 44 0.851 -2.918 0.011 293 HB2 LEU 44 1HB LEU 44 -1.302 -2.014 0.627 294 HB3 LEU 44 2HB LEU 44 -1.995 -3.633 0.697 295 HG LEU 44 HG LEU 44 -0.348 -4.086 2.585 296 HD11 LEU 44 1HD1 LEU 44 0.656 -2.283 3.710 297 HD12 LEU 44 2HD1 LEU 44 -0.247 -1.090 2.778 298 HD13 LEU 44 3HD1 LEU 44 1.027 -2.033 2.004 299 HD21 LEU 44 1HD2 LEU 44 -2.759 -3.725 2.904 300 HD22 LEU 44 2HD2 LEU 44 -2.472 -1.989 3.024 301 HD23 LEU 44 3HD2 LEU 44 -1.807 -3.079 4.241 302 H ALA 45 H ALA 45 1.917 -4.303 1.375 303 HA ALA 45 HA ALA 45 1.721 -7.122 0.720 304 HB1 ALA 45 1HB ALA 45 3.700 -5.408 2.137 305 HB2 ALA 45 2HB ALA 45 3.693 -7.142 2.459 306 HB3 ALA 45 3HB ALA 45 3.936 -6.552 0.815 307 H ILE 46 H ILE 46 0.437 -8.448 1.806 308 HA ILE 46 HA ILE 46 -0.284 -7.775 4.577 309 HB ILE 46 HB ILE 46 -2.182 -9.364 4.252 310 HG12 ILE 46 1HG1 ILE 46 -1.448 -9.229 1.324 311 HG13 ILE 46 2HG1 ILE 46 -1.053 -10.599 2.356 312 HG21 ILE 46 1HG2 ILE 46 -2.797 -7.134 4.074 313 HG22 ILE 46 2HG2 ILE 46 -1.879 -6.896 2.588 314 HG23 ILE 46 3HG2 ILE 46 -3.380 -7.822 2.558 315 HD11 ILE 46 1HD1 ILE 46 -3.591 -10.628 2.860 316 HD12 ILE 46 2HD1 ILE 46 -3.714 -9.671 1.382 317 HD13 ILE 46 3HD1 ILE 46 -2.997 -11.282 1.334 318 H ARG 47 H ARG 47 0.910 -10.350 2.494 319 HA ARG 47 HA ARG 47 2.406 -11.566 4.544 320 HB2 ARG 47 1HB ARG 47 1.193 -13.614 4.912 321 HB3 ARG 47 2HB ARG 47 0.136 -12.261 5.294 322 HG2 ARG 47 1HG ARG 47 -1.300 -13.558 4.099 323 HG3 ARG 47 2HG ARG 47 -0.621 -12.584 2.793 324 HD2 ARG 47 1HD ARG 47 0.784 -14.324 2.080 325 HD3 ARG 47 2HD ARG 47 0.573 -15.222 3.583 326 HE ARG 47 HE ARG 47 -1.161 -15.247 1.286 327 HH11 ARG 47 2HH1 ARG 47 -0.920 -15.816 4.712 328 HH12 ARG 47 1HH1 ARG 47 -2.264 -16.907 4.758 329 HH21 ARG 47 2HH2 ARG 47 -2.933 -16.683 1.333 330 HH22 ARG 47 1HH2 ARG 47 -3.408 -17.400 2.835 331 H THR 48 H THR 48 3.690 -13.298 3.789 332 HA THR 48 HA THR 48 3.945 -13.348 0.892 333 HB THR 48 HB THR 48 6.058 -14.558 1.301 334 HG1 THR 48 1HG THR 48 5.028 -15.262 3.524 335 HG21 THR 48 1HG2 THR 48 7.149 -12.689 2.708 336 HG22 THR 48 2HG2 THR 48 5.541 -11.964 2.718 337 HG23 THR 48 3HG2 THR 48 6.372 -12.247 1.189 338 H ALA 49 H ALA 49 2.732 -14.779 -0.166 339 HA ALA 49 HA ALA 49 1.834 -17.226 1.047 340 HB1 ALA 49 1HB ALA 49 1.577 -16.486 -1.856 341 HB2 ALA 49 2HB ALA 49 0.550 -17.559 -0.904 342 HB3 ALA 49 3HB ALA 49 0.525 -15.821 -0.605 343 H GLN 50 H GLN 50 3.994 -16.400 -1.659 344 HA GLN 50 HA GLN 50 4.707 -18.945 -2.458 345 HB2 GLN 50 1HB GLN 50 6.389 -16.437 -2.377 346 HB3 GLN 50 2HB GLN 50 6.852 -17.906 -3.226 347 HG2 GLN 50 1HG GLN 50 4.255 -16.539 -3.811 348 HG3 GLN 50 2HG GLN 50 5.761 -16.004 -4.555 349 HE21 GLN 50 1HE2 GLN 50 3.695 -18.827 -4.096 350 HE22 GLN 50 2HE2 GLN 50 4.105 -19.593 -5.589 351 H MET 51 H MET 51 6.070 -16.985 0.154 352 HA MET 51 HA MET 51 7.498 -17.482 1.857 353 HB2 MET 51 1HB MET 51 6.034 -20.090 1.498 354 HB3 MET 51 2HB MET 51 7.218 -19.856 2.777 355 HG2 MET 51 1HG MET 51 5.883 -17.933 3.590 356 HG3 MET 51 2HG MET 51 4.665 -18.320 2.377 357 HE1 MET 51 1HE MET 51 2.500 -20.059 3.214 358 HE2 MET 51 2HE MET 51 3.736 -20.590 2.074 359 HE3 MET 51 3HE MET 51 3.243 -21.649 3.396 360 H GLN 52 H GLN 52 8.684 -17.559 -0.674 361 HA GLN 52 HA GLN 52 10.569 -19.809 -0.447 362 HB2 GLN 52 1HB GLN 52 9.630 -18.191 -2.798 363 HB3 GLN 52 2HB GLN 52 11.148 -19.077 -2.864 364 HG2 GLN 52 1HG GLN 52 8.363 -20.141 -2.613 365 HG3 GLN 52 2HG GLN 52 9.589 -20.513 -3.824 366 HE21 GLN 52 1HE2 GLN 52 8.119 -21.512 -0.996 367 HE22 GLN 52 2HE2 GLN 52 9.240 -22.744 -0.536 368 H ASP 53 H ASP 53 12.819 -19.267 -1.238 369 HA ASP 53 HA ASP 53 13.776 -17.007 0.263 370 HB2 ASP 53 1HB ASP 53 15.012 -19.312 -1.165 371 HB3 ASP 53 2HB ASP 53 16.011 -17.888 -0.892 372 H ASN 54 H ASN 54 12.156 -16.060 -1.730 373 HA ASN 54 HA ASN 54 13.472 -15.366 -4.122 374 HB2 ASN 54 1HB ASN 54 11.133 -14.139 -2.661 375 HB3 ASN 54 2HB ASN 54 11.706 -13.528 -4.210 376 HD21 ASN 54 1HD2 ASN 54 11.944 -15.260 -5.923 377 HD22 ASN 54 2HD2 ASN 54 10.663 -16.415 -6.029 378 HA PRO 55 HA PRO 55 16.164 -12.083 -3.005 379 HB2 PRO 55 1HB PRO 55 15.992 -10.484 -5.192 380 HB3 PRO 55 2HB PRO 55 16.832 -12.039 -5.203 381 HG2 PRO 55 1HG PRO 55 14.077 -11.367 -6.163 382 HG3 PRO 55 2HG PRO 55 15.310 -12.388 -6.926 383 HD2 PRO 55 1HD PRO 55 13.227 -13.414 -5.535 384 HD3 PRO 55 2HD PRO 55 14.818 -14.200 -5.590 385 H SER 56 H SER 56 14.831 -11.299 -1.246 386 HA SER 56 HA SER 56 13.481 -9.806 -0.150 387 HB2 SER 56 1HB SER 56 15.193 -8.161 -1.989 388 HB3 SER 56 2HB SER 56 14.011 -7.374 -0.943 389 HG SER 56 HG SER 56 16.320 -8.812 -0.263 390 H GLN 57 H GLN 57 12.032 -11.103 -2.108 391 HA GLN 57 HA GLN 57 10.497 -9.041 -3.498 392 HB2 GLN 57 1HB GLN 57 11.182 -11.018 -4.783 393 HB3 GLN 57 2HB GLN 57 10.319 -12.055 -3.654 394 HG2 GLN 57 1HG GLN 57 9.094 -11.663 -5.754 395 HG3 GLN 57 2HG GLN 57 8.212 -11.131 -4.323 396 HE21 GLN 57 1HE2 GLN 57 9.921 -10.133 -7.179 397 HE22 GLN 57 2HE2 GLN 57 9.384 -8.491 -7.174 398 H LEU 58 H LEU 58 8.343 -8.643 -3.124 399 HA LEU 58 HA LEU 58 7.066 -10.090 -0.910 400 HB2 LEU 58 1HB LEU 58 7.630 -7.189 -1.141 401 HB3 LEU 58 2HB LEU 58 6.073 -7.659 -0.462 402 HG LEU 58 HG LEU 58 8.674 -8.703 0.629 403 HD11 LEU 58 1HD1 LEU 58 7.432 -6.620 2.204 404 HD12 LEU 58 2HD1 LEU 58 7.950 -6.027 0.627 405 HD13 LEU 58 3HD1 LEU 58 9.112 -6.806 1.701 406 HD21 LEU 58 1HD2 LEU 58 7.432 -9.400 2.457 407 HD22 LEU 58 2HD2 LEU 58 6.348 -9.729 1.105 408 HD23 LEU 58 3HD2 LEU 58 6.102 -8.296 2.105 409 H VAL 59 H VAL 59 4.822 -10.240 -1.008 410 HA VAL 59 HA VAL 59 3.696 -9.695 -3.657 411 HB VAL 59 HB VAL 59 3.479 -11.989 -2.930 412 HG11 VAL 59 1HG1 VAL 59 1.610 -11.822 -0.811 413 HG12 VAL 59 2HG1 VAL 59 3.238 -12.502 -0.784 414 HG13 VAL 59 3HG1 VAL 59 2.986 -10.801 -0.391 415 HG21 VAL 59 1HG2 VAL 59 1.130 -10.274 -3.322 416 HG22 VAL 59 2HG2 VAL 59 1.624 -11.735 -4.176 417 HG23 VAL 59 3HG2 VAL 59 0.783 -11.859 -2.631 418 H PHE 60 H PHE 60 2.733 -7.774 -3.810 419 HA PHE 60 HA PHE 60 1.207 -6.759 -1.516 420 HB2 PHE 60 1HB PHE 60 2.073 -5.259 -3.994 421 HB3 PHE 60 2HB PHE 60 1.381 -4.568 -2.530 422 HD1 PHE 60 1HD PHE 60 4.301 -6.547 -3.713 423 HD2 PHE 60 2HD PHE 60 2.776 -3.768 -0.873 424 HE1 PHE 60 1HE PHE 60 6.563 -6.256 -2.789 425 HE2 PHE 60 2HE PHE 60 5.035 -3.471 0.055 426 HZ PHE 60 HZ PHE 60 6.932 -4.715 -0.903 427 H MET 61 H MET 61 -0.937 -6.813 -1.557 428 HA MET 61 HA MET 61 -2.285 -7.517 -4.050 429 HB2 MET 61 1HB MET 61 -4.249 -7.931 -2.597 430 HB3 MET 61 2HB MET 61 -2.842 -8.874 -2.126 431 HG2 MET 61 1HG MET 61 -2.559 -7.741 -0.170 432 HG3 MET 61 2HG MET 61 -3.277 -6.259 -0.796 433 HE1 MET 61 1HE MET 61 -5.677 -5.702 0.958 434 HE2 MET 61 2HE MET 61 -5.422 -6.927 2.201 435 HE3 MET 61 3HE MET 61 -4.040 -6.100 1.480 436 H ARG 62 H ARG 62 -3.663 -6.206 -5.118 437 HA ARG 62 HA ARG 62 -3.540 -3.447 -4.830 438 HB2 ARG 62 1HB ARG 62 -4.282 -4.720 -6.869 439 HB3 ARG 62 2HB ARG 62 -5.832 -4.967 -6.076 440 HG2 ARG 62 1HG ARG 62 -4.793 -2.193 -6.354 441 HG3 ARG 62 2HG ARG 62 -5.473 -3.001 -7.768 442 HD2 ARG 62 1HD ARG 62 -6.916 -2.846 -5.134 443 HD3 ARG 62 2HD ARG 62 -7.068 -1.601 -6.373 444 HE ARG 62 HE ARG 62 -7.578 -4.116 -7.520 445 HH11 ARG 62 2HH1 ARG 62 -8.985 -1.841 -5.291 446 HH12 ARG 62 1HH1 ARG 62 -10.615 -2.321 -5.627 447 HH21 ARG 62 2HH2 ARG 62 -9.721 -4.756 -7.971 448 HH22 ARG 62 1HH2 ARG 62 -11.033 -3.980 -7.151 449 H ILE 63 H ILE 63 -4.397 -2.097 -3.404 450 HA ILE 63 HA ILE 63 -6.756 -2.983 -1.876 451 HB ILE 63 HB ILE 63 -6.013 -1.432 -0.097 452 HG12 ILE 63 1HG1 ILE 63 -3.447 -1.215 -1.681 453 HG13 ILE 63 2HG1 ILE 63 -4.681 0.040 -1.645 454 HG21 ILE 63 1HG2 ILE 63 -5.420 -3.612 0.371 455 HG22 ILE 63 2HG2 ILE 63 -4.300 -3.710 -0.987 456 HG23 ILE 63 3HG2 ILE 63 -3.862 -2.789 0.452 457 HD11 ILE 63 1HD1 ILE 63 -4.385 0.152 0.824 458 HD12 ILE 63 2HD1 ILE 63 -3.022 -0.954 0.653 459 HD13 ILE 63 3HD1 ILE 63 -2.970 0.635 -0.109 460 H TYR 64 H TYR 64 -5.233 -0.270 -3.531 461 HA TYR 64 HA TYR 64 -7.812 1.153 -3.444 462 HB2 TYR 64 1HB TYR 64 -6.239 2.513 -2.317 463 HB3 TYR 64 2HB TYR 64 -4.984 2.189 -3.507 464 HD1 TYR 64 1HD TYR 64 -8.010 4.127 -2.777 465 HD2 TYR 64 2HD TYR 64 -4.920 3.391 -5.608 466 HE1 TYR 64 1HE TYR 64 -8.631 6.180 -3.979 467 HE2 TYR 64 2HE TYR 64 -5.532 5.444 -6.817 468 HH TYR 64 HH TYR 64 -6.731 7.704 -6.120 469 H CYS 65 H CYS 65 -8.787 1.655 -5.315 470 HA CYS 65 HA CYS 65 -7.324 1.074 -7.806 471 HB2 CYS 65 1HB CYS 65 -9.307 -0.410 -7.176 472 HB3 CYS 65 2HB CYS 65 -10.321 0.992 -7.492 473 HG CYS 65 HG CYS 65 -8.196 -0.228 -9.866 474 H GLY 66 H GLY 66 -6.550 3.165 -8.125 475 HA2 GLY 66 1HA GLY 66 -8.510 4.997 -9.241 476 HA3 GLY 66 2HA GLY 66 -7.644 5.592 -7.832 477 H LEU 67 H LEU 67 -7.265 7.152 -9.835 478 HA LEU 67 HA LEU 67 -4.662 6.380 -10.979 479 HB2 LEU 67 1HB LEU 67 -5.171 7.596 -12.977 480 HB3 LEU 67 2HB LEU 67 -6.460 6.434 -12.671 481 HG LEU 67 HG LEU 67 -6.604 9.400 -12.132 482 HD11 LEU 67 1HD1 LEU 67 -7.511 7.676 -14.397 483 HD12 LEU 67 2HD1 LEU 67 -6.721 9.252 -14.433 484 HD13 LEU 67 3HD1 LEU 67 -8.418 9.126 -13.967 485 HD21 LEU 67 1HD2 LEU 67 -8.342 7.110 -11.452 486 HD22 LEU 67 2HD2 LEU 67 -9.144 8.547 -12.087 487 HD23 LEU 67 3HD2 LEU 67 -8.138 8.663 -10.642 488 H LYS 68 H LYS 68 -6.601 8.788 -9.413 489 HA LYS 68 HA LYS 68 -5.136 11.097 -9.774 490 HB2 LYS 68 1HB LYS 68 -7.316 10.612 -8.400 491 HB3 LYS 68 2HB LYS 68 -6.199 10.426 -7.055 492 HG2 LYS 68 1HG LYS 68 -6.862 12.647 -6.929 493 HG3 LYS 68 2HG LYS 68 -5.294 12.724 -7.737 494 HD2 LYS 68 1HD LYS 68 -6.587 14.129 -9.044 495 HD3 LYS 68 2HD LYS 68 -6.705 12.600 -9.917 496 HE2 LYS 68 1HE LYS 68 -8.907 13.325 -9.847 497 HE3 LYS 68 2HE LYS 68 -8.818 12.213 -8.482 498 HZ1 LYS 68 1HZ LYS 68 -8.106 14.818 -7.654 499 HZ2 LYS 68 2HZ LYS 68 -9.378 13.843 -7.114 500 HZ3 LYS 68 3HZ LYS 68 -9.603 14.867 -8.441 501 H THR 69 H THR 69 -3.475 12.118 -8.584 502 HA THR 69 HA THR 69 -1.405 10.314 -7.723 503 HB THR 69 HB THR 69 -0.046 12.356 -7.406 504 HG1 THR 69 1HG THR 69 -1.562 13.870 -6.796 505 HG21 THR 69 1HG2 THR 69 -0.664 11.204 -9.715 506 HG22 THR 69 2HG2 THR 69 0.332 12.658 -9.643 507 HG23 THR 69 3HG2 THR 69 -1.385 12.782 -10.028 508 H SER 70 H SER 70 -3.616 10.103 -6.041 509 HA SER 70 HA SER 70 -2.427 10.351 -3.506 510 HB2 SER 70 1HB SER 70 -3.675 12.116 -2.484 511 HB3 SER 70 2HB SER 70 -2.991 12.777 -3.969 512 HG SER 70 HG SER 70 -4.934 13.057 -4.721 513 H CYS 71 H CYS 71 -3.300 8.810 -2.289 514 HA CYS 71 HA CYS 71 -6.133 8.132 -2.659 515 HB2 CYS 71 1HB CYS 71 -5.688 5.790 -2.756 516 HB3 CYS 71 2HB CYS 71 -4.633 6.555 -3.938 517 HG CYS 71 HG CYS 71 -3.846 4.606 -1.420 518 H THR 72 H THR 72 -7.003 6.813 -0.863 519 HA THR 72 HA THR 72 -5.579 7.328 1.665 520 HB THR 72 HB THR 72 -8.548 7.602 1.162 521 HG1 THR 72 1HG THR 72 -7.388 9.429 0.507 522 HG21 THR 72 1HG2 THR 72 -8.565 8.397 3.555 523 HG22 THR 72 2HG2 THR 72 -6.937 7.736 3.706 524 HG23 THR 72 3HG2 THR 72 -8.291 6.669 3.338 525 H VAL 73 H VAL 73 -5.507 5.690 3.113 526 HA VAL 73 HA VAL 73 -6.868 3.188 2.357 527 HB VAL 73 HB VAL 73 -4.324 3.558 3.944 528 HG11 VAL 73 1HG1 VAL 73 -5.823 1.622 4.601 529 HG12 VAL 73 2HG1 VAL 73 -5.501 0.959 2.998 530 HG13 VAL 73 3HG1 VAL 73 -4.174 1.213 4.132 531 HG21 VAL 73 1HG2 VAL 73 -4.027 1.950 1.610 532 HG22 VAL 73 2HG2 VAL 73 -4.788 3.474 1.156 533 HG23 VAL 73 3HG2 VAL 73 -3.243 3.480 2.006 534 H THR 74 H THR 74 -7.942 1.992 3.906 535 HA THR 74 HA THR 74 -8.719 3.483 6.293 536 HB THR 74 HB THR 74 -10.483 1.737 6.530 537 HG1 THR 74 1HG THR 74 -10.121 -0.044 5.450 538 HG21 THR 74 1HG2 THR 74 -11.631 2.356 4.272 539 HG22 THR 74 2HG2 THR 74 -10.226 3.400 4.055 540 HG23 THR 74 3HG2 THR 74 -11.285 3.622 5.448 541 H ALA 75 H ALA 75 -8.989 2.286 8.344 542 HA ALA 75 HA ALA 75 -6.590 1.099 9.172 543 HB1 ALA 75 1HB ALA 75 -9.167 1.739 10.366 544 HB2 ALA 75 2HB ALA 75 -8.423 0.296 11.056 545 HB3 ALA 75 3HB ALA 75 -7.545 1.826 11.054 546 H GLY 76 H GLY 76 -9.773 -0.379 8.544 547 HA2 GLY 76 1HA GLY 76 -9.426 -2.963 9.197 548 HA3 GLY 76 2HA GLY 76 -10.235 -2.493 7.709 549 H GLN 77 H GLN 77 -8.332 -1.643 6.069 550 HA GLN 77 HA GLN 77 -7.072 -4.009 5.214 551 HB2 GLN 77 1HB GLN 77 -6.439 -1.162 4.419 552 HB3 GLN 77 2HB GLN 77 -5.984 -2.609 3.530 553 HG2 GLN 77 1HG GLN 77 -8.861 -2.125 4.108 554 HG3 GLN 77 2HG GLN 77 -8.072 -1.192 2.838 555 HE21 GLN 77 1HE2 GLN 77 -7.439 -2.199 0.963 556 HE22 GLN 77 2HE2 GLN 77 -7.910 -3.810 0.555 557 H LEU 78 H LEU 78 -5.733 -1.074 6.715 558 HA LEU 78 HA LEU 78 -3.071 -1.622 6.740 559 HB2 LEU 78 1HB LEU 78 -4.884 -0.265 8.661 560 HB3 LEU 78 2HB LEU 78 -3.235 -0.602 9.185 561 HG LEU 78 HG LEU 78 -3.926 0.967 6.705 562 HD11 LEU 78 1HD1 LEU 78 -4.478 1.831 9.195 563 HD12 LEU 78 2HD1 LEU 78 -3.983 2.889 7.874 564 HD13 LEU 78 3HD1 LEU 78 -2.794 2.335 9.053 565 HD21 LEU 78 1HD2 LEU 78 -1.682 1.380 6.467 566 HD22 LEU 78 2HD2 LEU 78 -1.646 -0.266 7.100 567 HD23 LEU 78 3HD2 LEU 78 -1.336 1.099 8.174 568 H ALA 79 H ALA 79 -5.469 -2.867 9.043 569 HA ALA 79 HA ALA 79 -3.877 -4.208 10.817 570 HB1 ALA 79 1HB ALA 79 -5.733 -5.607 11.313 571 HB2 ALA 79 2HB ALA 79 -6.381 -4.030 10.860 572 HB3 ALA 79 3HB ALA 79 -6.426 -5.366 9.709 573 H ASN 80 H ASN 80 -4.937 -5.335 7.626 574 HA ASN 80 HA ASN 80 -3.656 -7.877 7.846 575 HB2 ASN 80 1HB ASN 80 -4.440 -6.493 5.280 576 HB3 ASN 80 2HB ASN 80 -4.298 -8.223 5.576 577 HD21 ASN 80 1HD2 ASN 80 -6.558 -6.959 4.490 578 HD22 ASN 80 2HD2 ASN 80 -7.870 -7.161 5.596 579 H ALA 81 H ALA 81 -2.621 -4.712 6.979 580 HA ALA 81 HA ALA 81 -0.469 -5.274 5.285 581 HB1 ALA 81 1HB ALA 81 0.035 -3.082 7.139 582 HB2 ALA 81 2HB ALA 81 -0.109 -3.071 5.381 583 HB3 ALA 81 3HB ALA 81 -1.557 -3.007 6.385 584 H HIS 82 H HIS 82 1.524 -6.065 5.595 585 HA HIS 82 HA HIS 82 2.205 -7.088 8.220 586 HB2 HIS 82 1HB HIS 82 3.654 -8.513 7.155 587 HB3 HIS 82 2HB HIS 82 2.539 -8.193 5.830 588 HD1 HIS 82 1HD HIS 82 6.040 -8.211 6.594 589 HD2 HIS 82 2HD HIS 82 3.574 -5.969 4.113 590 HE1 HIS 82 1HE HIS 82 7.574 -7.133 4.918 591 HE2 HIS 82 2HE HIS 82 6.069 -5.714 3.480 592 H ILE 83 H ILE 83 3.462 -6.074 9.630 593 HA ILE 83 HA ILE 83 4.975 -3.730 8.742 594 HB ILE 83 HB ILE 83 4.296 -4.650 11.538 595 HG12 ILE 83 1HG1 ILE 83 3.190 -2.338 9.930 596 HG13 ILE 83 2HG1 ILE 83 2.362 -3.872 10.171 597 HG21 ILE 83 1HG2 ILE 83 5.446 -2.885 12.395 598 HG22 ILE 83 2HG2 ILE 83 6.426 -3.176 10.959 599 HG23 ILE 83 3HG2 ILE 83 5.216 -1.893 10.956 600 HD11 ILE 83 1HD1 ILE 83 3.111 -2.875 12.714 601 HD12 ILE 83 2HD1 ILE 83 2.335 -1.572 11.813 602 HD13 ILE 83 3HD1 ILE 83 1.495 -3.105 12.048 603 H ASP 84 H ASP 84 7.082 -3.885 8.403 604 HA ASP 84 HA ASP 84 8.546 -6.224 9.265 605 HB2 ASP 84 1HB ASP 84 8.733 -4.833 7.018 606 HB3 ASP 84 2HB ASP 84 9.892 -3.900 7.961 607 H TYR 85 H TYR 85 9.011 -6.225 11.392 608 HA TYR 85 HA TYR 85 9.832 -3.813 12.755 609 HB2 TYR 85 1HB TYR 85 9.273 -6.636 13.567 610 HB3 TYR 85 2HB TYR 85 10.229 -5.619 14.639 611 HD1 TYR 85 1HD TYR 85 9.136 -3.167 14.965 612 HD2 TYR 85 2HD TYR 85 7.012 -6.720 13.982 613 HE1 TYR 85 1HE TYR 85 7.074 -2.179 15.872 614 HE2 TYR 85 2HE TYR 85 4.944 -5.742 14.885 615 HH TYR 85 HH TYR 85 3.969 -3.767 15.527 616 H THR 86 H THR 86 11.462 -5.194 10.571 617 HA THR 86 HA THR 86 13.784 -6.321 11.613 618 HB THR 86 HB THR 86 13.596 -4.576 9.151 619 HG1 THR 86 1HG THR 86 12.135 -6.497 9.363 620 HG21 THR 86 1HG2 THR 86 15.796 -4.946 9.022 621 HG22 THR 86 2HG2 THR 86 15.409 -6.643 8.734 622 HG23 THR 86 3HG2 THR 86 15.751 -6.081 10.370 623 H SER 87 H SER 87 14.135 -5.050 13.553 624 HA SER 87 HA SER 87 15.121 -3.411 14.797 625 HB2 SER 87 1HB SER 87 17.011 -4.406 13.292 626 HB3 SER 87 2HB SER 87 16.934 -2.847 12.470 627 HG SER 87 HG SER 87 17.599 -1.841 14.279 628 H ARG 88 H ARG 88 12.940 -2.638 12.912 629 HA ARG 88 HA ARG 88 12.889 0.110 13.428 630 HB2 ARG 88 1HB ARG 88 14.645 -0.250 11.450 631 HB3 ARG 88 2HB ARG 88 13.174 -0.231 10.486 632 HG2 ARG 88 1HG ARG 88 12.600 1.956 11.540 633 HG3 ARG 88 2HG ARG 88 14.194 1.940 12.299 634 HD2 ARG 88 1HD ARG 88 14.002 1.534 9.355 635 HD3 ARG 88 2HD ARG 88 13.782 3.160 10.001 636 HE ARG 88 HE ARG 88 16.135 1.826 10.980 637 HH11 ARG 88 2HH1 ARG 88 14.801 3.794 8.437 638 HH12 ARG 88 1HH1 ARG 88 16.332 4.456 7.968 639 HH21 ARG 88 2HH2 ARG 88 18.156 2.691 10.373 640 HH22 ARG 88 1HH2 ARG 88 18.240 3.827 9.070 641 HA PRO 89 HA PRO 89 8.763 -1.502 12.579 642 HB2 PRO 89 1HB PRO 89 7.484 0.400 14.033 643 HB3 PRO 89 2HB PRO 89 8.244 -1.018 14.765 644 HG2 PRO 89 1HG PRO 89 9.285 1.779 14.529 645 HG3 PRO 89 2HG PRO 89 9.352 0.674 15.913 646 HD2 PRO 89 1HD PRO 89 11.464 1.077 14.268 647 HD3 PRO 89 2HD PRO 89 11.159 -0.479 15.066 648 H ALA 90 H ALA 90 8.649 -0.997 10.384 649 HA ALA 90 HA ALA 90 7.373 1.569 9.799 650 HB1 ALA 90 1HB ALA 90 9.560 2.130 9.193 651 HB2 ALA 90 2HB ALA 90 9.870 0.542 8.491 652 HB3 ALA 90 3HB ALA 90 8.790 1.672 7.673 653 H ILE 91 H ILE 91 6.100 1.570 7.881 654 HA ILE 91 HA ILE 91 5.207 -1.118 7.127 655 HB ILE 91 HB ILE 91 3.862 1.557 6.728 656 HG12 ILE 91 1HG1 ILE 91 3.218 -0.728 8.605 657 HG13 ILE 91 2HG1 ILE 91 3.939 0.807 9.075 658 HG21 ILE 91 1HG2 ILE 91 2.593 -1.130 6.321 659 HG22 ILE 91 2HG2 ILE 91 2.034 0.452 5.780 660 HG23 ILE 91 3HG2 ILE 91 3.433 -0.298 5.013 661 HD11 ILE 91 1HD1 ILE 91 1.805 1.308 9.572 662 HD12 ILE 91 2HD1 ILE 91 1.732 1.705 7.854 663 HD13 ILE 91 3HD1 ILE 91 1.148 0.142 8.424 664 H VAL 92 H VAL 92 5.388 -1.896 5.107 665 HA VAL 92 HA VAL 92 6.841 -0.273 3.162 666 HB VAL 92 HB VAL 92 6.133 -3.207 3.028 667 HG11 VAL 92 1HG1 VAL 92 7.280 -3.346 1.083 668 HG12 VAL 92 2HG1 VAL 92 6.810 -1.649 0.953 669 HG13 VAL 92 3HG1 VAL 92 8.419 -2.078 1.536 670 HG21 VAL 92 1HG2 VAL 92 8.737 -1.918 3.839 671 HG22 VAL 92 2HG2 VAL 92 7.586 -2.665 4.947 672 HG23 VAL 92 3HG2 VAL 92 8.408 -3.647 3.735 673 H PHE 93 H PHE 93 6.069 0.278 1.170 674 HA PHE 93 HA PHE 93 3.331 -0.548 0.492 675 HB2 PHE 93 1HB PHE 93 4.430 2.225 0.740 676 HB3 PHE 93 2HB PHE 93 3.189 1.901 -0.467 677 HD1 PHE 93 2HD PHE 93 0.973 1.016 0.269 678 HD2 PHE 93 1HD PHE 93 3.896 2.430 3.021 679 HE1 PHE 93 2HE PHE 93 -0.765 1.235 1.996 680 HE2 PHE 93 1HE PHE 93 2.163 2.651 4.753 681 HZ PHE 93 HZ PHE 93 -0.171 2.054 4.242 682 H ARG 94 H ARG 94 2.798 0.015 -1.832 683 HA ARG 94 HA ARG 94 5.136 0.028 -3.586 684 HB2 ARG 94 1HB ARG 94 3.141 -2.188 -3.337 685 HB3 ARG 94 2HB ARG 94 3.840 -1.836 -4.912 686 HG2 ARG 94 1HG ARG 94 5.611 -2.232 -2.540 687 HG3 ARG 94 2HG ARG 94 4.934 -3.621 -3.393 688 HD2 ARG 94 1HD ARG 94 5.966 -2.944 -5.445 689 HD3 ARG 94 2HD ARG 94 6.481 -1.413 -4.738 690 HE ARG 94 HE ARG 94 7.835 -2.948 -3.185 691 HH11 ARG 94 2HH1 ARG 94 7.135 -3.595 -6.534 692 HH12 ARG 94 1HH1 ARG 94 8.567 -4.538 -6.786 693 HH21 ARG 94 2HH2 ARG 94 9.723 -4.188 -3.505 694 HH22 ARG 94 1HH2 ARG 94 10.038 -4.875 -5.062 695 H ILE 95 H ILE 95 4.819 1.117 -5.452 696 HA ILE 95 HA ILE 95 2.102 1.678 -6.358 697 HB ILE 95 HB ILE 95 4.093 3.884 -5.813 698 HG12 ILE 95 1HG1 ILE 95 1.401 3.530 -4.510 699 HG13 ILE 95 2HG1 ILE 95 2.852 2.801 -3.832 700 HG21 ILE 95 1HG2 ILE 95 2.763 4.317 -7.796 701 HG22 ILE 95 2HG2 ILE 95 1.283 3.979 -6.900 702 HG23 ILE 95 3HG2 ILE 95 2.265 5.382 -6.482 703 HD11 ILE 95 1HD1 ILE 95 3.071 4.705 -2.708 704 HD12 ILE 95 2HD1 ILE 95 3.612 5.402 -4.235 705 HD13 ILE 95 3HD1 ILE 95 1.925 5.551 -3.747 706 H SER 96 H SER 96 1.927 1.973 -8.537 707 HA SER 96 HA SER 96 4.293 2.422 -10.155 708 HB2 SER 96 1HB SER 96 3.826 0.393 -11.562 709 HB3 SER 96 2HB SER 96 4.414 0.026 -9.941 710 HG SER 96 HG SER 96 1.656 0.202 -10.293 711 H ALA 97 H ALA 97 3.572 2.233 -12.595 712 HA ALA 97 HA ALA 97 0.851 3.300 -12.896 713 HB1 ALA 97 1HB ALA 97 3.343 4.720 -13.323 714 HB2 ALA 97 2HB ALA 97 2.329 4.702 -14.767 715 HB3 ALA 97 3HB ALA 97 1.690 5.333 -13.249 716 H LYS 98 H LYS 98 -0.118 2.947 -14.913 717 HA LYS 98 HA LYS 98 1.247 0.935 -16.577 718 HB2 LYS 98 1HB LYS 98 -0.682 -0.033 -15.525 719 HB3 LYS 98 2HB LYS 98 -1.688 1.333 -15.990 720 HG2 LYS 98 1HG LYS 98 -1.866 0.637 -18.170 721 HG3 LYS 98 2HG LYS 98 -0.361 -0.283 -18.113 722 HD2 LYS 98 1HD LYS 98 -1.947 -1.964 -18.103 723 HD3 LYS 98 2HD LYS 98 -1.642 -1.746 -16.378 724 HE2 LYS 98 1HE LYS 98 -3.919 -1.708 -16.356 725 HE3 LYS 98 2HE LYS 98 -3.611 0.006 -16.629 726 HZ1 LYS 98 1HZ LYS 98 -4.549 -2.033 -18.532 727 HZ2 LYS 98 2HZ LYS 98 -3.724 -0.672 -19.104 728 HZ3 LYS 98 3HZ LYS 98 -5.163 -0.485 -18.235 729 H ASN 99 H ASN 99 1.561 1.354 -18.679 730 HA ASN 99 HA ASN 99 0.576 3.907 -19.716 731 HB2 ASN 99 1HB ASN 99 2.678 2.056 -20.862 732 HB3 ASN 99 2HB ASN 99 2.299 3.681 -21.428 733 HD21 ASN 99 1HD2 ASN 99 4.841 3.134 -20.799 734 HD22 ASN 99 2HD2 ASN 99 5.291 3.908 -19.321 735 H GLU 100 H GLU 100 1.225 0.729 -21.200 736 HA GLU 100 HA GLU 100 -1.436 0.833 -22.436 737 HB2 GLU 100 1HB GLU 100 1.213 0.538 -23.808 738 HB3 GLU 100 2HB GLU 100 -0.216 -0.225 -24.491 739 HG2 GLU 100 1HG GLU 100 -1.281 1.836 -24.845 740 HG3 GLU 100 2HG GLU 100 -0.147 2.692 -23.802 741 H LYS 101 H LYS 101 1.454 -1.248 -22.216 742 HA LYS 101 HA LYS 101 -0.079 -3.656 -22.322 743 HB2 LYS 101 1HB LYS 101 2.804 -3.139 -21.580 744 HB3 LYS 101 2HB LYS 101 2.101 -4.744 -21.724 745 HG2 LYS 101 1HG LYS 101 1.942 -2.823 -24.006 746 HG3 LYS 101 2HG LYS 101 3.417 -3.746 -23.711 747 HD2 LYS 101 1HD LYS 101 0.778 -5.148 -23.803 748 HD3 LYS 101 2HD LYS 101 1.582 -4.691 -25.307 749 HE2 LYS 101 1HE LYS 101 3.398 -6.084 -24.903 750 HE3 LYS 101 2HE LYS 101 3.076 -6.165 -23.172 751 HZ1 LYS 101 1HZ LYS 101 1.678 -7.870 -23.438 752 HZ2 LYS 101 2HZ LYS 101 2.408 -8.070 -24.950 753 HZ3 LYS 101 3HZ LYS 101 0.955 -7.214 -24.819 754 H GLY 102 H GLY 102 1.827 -2.126 -19.718 755 HA2 GLY 102 1HA GLY 102 -0.103 -2.642 -17.722 756 HA3 GLY 102 2HA GLY 102 1.120 -3.903 -17.683 757 H TYR 103 H TYR 103 1.957 -3.344 -15.694 758 HA TYR 103 HA TYR 103 3.090 -0.649 -15.428 759 HB2 TYR 103 1HB TYR 103 2.688 -2.769 -13.308 760 HB3 TYR 103 2HB TYR 103 3.240 -1.120 -13.035 761 HD1 TYR 103 1HD TYR 103 0.343 -3.133 -14.179 762 HD2 TYR 103 2HD TYR 103 1.698 0.640 -12.756 763 HE1 TYR 103 1HE TYR 103 -1.990 -2.405 -13.907 764 HE2 TYR 103 2HE TYR 103 -0.631 1.379 -12.478 765 HH TYR 103 HH TYR 103 -3.019 0.463 -13.785 766 H GLY 104 H GLY 104 5.246 -0.398 -14.586 767 HA2 GLY 104 1HA GLY 104 6.987 -2.681 -15.289 768 HA3 GLY 104 2HA GLY 104 7.427 -0.999 -15.551 769 HA PRO 105 HA PRO 105 9.645 -1.329 -11.747 770 HB2 PRO 105 1HB PRO 105 10.209 1.309 -11.442 771 HB3 PRO 105 2HB PRO 105 11.043 0.277 -12.610 772 HG2 PRO 105 1HG PRO 105 8.785 2.194 -13.048 773 HG3 PRO 105 2HG PRO 105 10.236 1.931 -14.033 774 HD2 PRO 105 1HD PRO 105 7.826 0.881 -14.681 775 HD3 PRO 105 2HD PRO 105 9.356 0.063 -15.057 776 H ALA 106 H ALA 106 8.891 -1.501 -9.737 777 HA ALA 106 HA ALA 106 6.605 0.167 -8.941 778 HB1 ALA 106 1HB ALA 106 7.544 -2.539 -8.038 779 HB2 ALA 106 2HB ALA 106 6.365 -1.599 -7.121 780 HB3 ALA 106 3HB ALA 106 6.004 -2.095 -8.774 781 H THR 107 H THR 107 6.951 1.767 -7.561 782 HA THR 107 HA THR 107 9.485 2.113 -6.271 783 HB THR 107 HB THR 107 7.741 3.909 -7.132 784 HG1 THR 107 1HG THR 107 9.807 4.400 -6.285 785 HG21 THR 107 1HG2 THR 107 7.023 3.638 -4.210 786 HG22 THR 107 2HG2 THR 107 5.969 3.229 -5.564 787 HG23 THR 107 3HG2 THR 107 6.467 4.901 -5.307 788 H GLN 108 H GLN 108 9.884 2.247 -4.023 789 HA GLN 108 HA GLN 108 7.883 0.934 -2.313 790 HB2 GLN 108 1HB GLN 108 9.558 -0.729 -2.852 791 HB3 GLN 108 2HB GLN 108 10.851 0.376 -2.408 792 HG2 GLN 108 1HG GLN 108 8.798 -0.338 -0.376 793 HG3 GLN 108 2HG GLN 108 10.063 -1.500 -0.771 794 HE21 GLN 108 1HE2 GLN 108 12.308 -0.623 -0.700 795 HE22 GLN 108 2HE2 GLN 108 12.691 0.479 0.575 796 H ILE 109 H ILE 109 7.585 1.814 -0.337 797 HA ILE 109 HA ILE 109 9.509 3.810 0.620 798 HB ILE 109 HB ILE 109 7.741 5.057 -0.530 799 HG12 ILE 109 1HG1 ILE 109 7.369 5.370 2.448 800 HG13 ILE 109 2HG1 ILE 109 8.842 5.864 1.621 801 HG21 ILE 109 1HG2 ILE 109 6.008 3.234 -0.064 802 HG22 ILE 109 2HG2 ILE 109 5.777 4.031 1.491 803 HG23 ILE 109 3HG2 ILE 109 5.467 4.911 -0.005 804 HD11 ILE 109 1HD1 ILE 109 7.751 7.558 0.450 805 HD12 ILE 109 2HD1 ILE 109 6.156 6.880 0.779 806 HD13 ILE 109 3HD1 ILE 109 7.076 7.639 2.077 807 H ARG 110 H ARG 110 9.821 3.811 2.784 808 HA ARG 110 HA ARG 110 8.265 1.864 4.340 809 HB2 ARG 110 1HB ARG 110 11.056 2.953 4.633 810 HB3 ARG 110 2HB ARG 110 10.247 2.131 5.961 811 HG2 ARG 110 1HG ARG 110 9.911 0.187 4.381 812 HG3 ARG 110 2HG ARG 110 11.023 1.010 3.286 813 HD2 ARG 110 1HD ARG 110 12.538 1.118 5.430 814 HD3 ARG 110 2HD ARG 110 11.541 -0.244 5.940 815 HE ARG 110 HE ARG 110 12.270 -1.075 3.542 816 HH11 ARG 110 2HH1 ARG 110 14.165 0.477 6.015 817 HH12 ARG 110 1HH1 ARG 110 15.644 -0.299 5.552 818 HH21 ARG 110 2HH2 ARG 110 14.210 -2.103 2.922 819 HH22 ARG 110 1HH2 ARG 110 15.668 -1.765 3.792 820 H TRP 111 H TRP 111 6.593 2.891 5.268 821 HA TRP 111 HA TRP 111 6.911 5.575 6.333 822 HB2 TRP 111 1HB TRP 111 4.856 4.855 5.079 823 HB3 TRP 111 2HB TRP 111 4.468 3.798 6.433 824 HD1 TRP 111 HD TRP 111 5.577 7.524 6.415 825 HE1 TRP 111 1HE TRP 111 3.854 8.863 7.779 826 HE3 TRP 111 3HE TRP 111 2.321 3.747 7.539 827 HZ2 TRP 111 2HZ TRP 111 1.434 8.382 9.151 828 HZ3 TRP 111 3HZ TRP 111 0.327 4.270 8.883 829 HH2 TRP 111 HH TRP 111 -0.105 6.539 9.671 830 H LEU 112 H LEU 112 8.190 5.438 8.135 831 HA LEU 112 HA LEU 112 8.028 3.447 10.111 832 HB2 LEU 112 1HB LEU 112 9.101 6.250 10.112 833 HB3 LEU 112 2HB LEU 112 9.158 5.235 11.551 834 HG LEU 112 HG LEU 112 10.377 4.345 8.955 835 HD11 LEU 112 1HD1 LEU 112 12.277 5.525 9.268 836 HD12 LEU 112 2HD1 LEU 112 12.120 5.526 11.024 837 HD13 LEU 112 3HD1 LEU 112 11.173 6.653 10.054 838 HD21 LEU 112 1HD2 LEU 112 11.324 2.678 10.163 839 HD22 LEU 112 2HD2 LEU 112 9.907 2.945 11.179 840 HD23 LEU 112 3HD2 LEU 112 11.458 3.658 11.623 841 H GLN 113 H GLN 113 6.778 3.190 11.870 842 HA GLN 113 HA GLN 113 4.358 4.647 12.100 843 HB2 GLN 113 1HB GLN 113 5.700 2.527 13.741 844 HB3 GLN 113 2HB GLN 113 4.272 3.345 14.360 845 HG2 GLN 113 1HG GLN 113 4.183 2.190 11.622 846 HG3 GLN 113 2HG GLN 113 4.085 1.108 13.010 847 HE21 GLN 113 1HE2 GLN 113 2.625 3.961 11.544 848 HE22 GLN 113 2HE2 GLN 113 1.041 3.702 12.183 849 H GLY 114 H GLY 114 4.435 6.744 12.659 850 HA2 GLY 114 1HA GLY 114 6.349 7.774 14.536 851 HA3 GLY 114 2HA GLY 114 5.033 8.669 13.790 852 H ASN 115 H ASN 115 3.220 9.064 14.938 853 HA ASN 115 HA ASN 115 3.126 7.957 17.663 854 HB2 ASN 115 1HB ASN 115 2.210 9.955 18.426 855 HB3 ASN 115 2HB ASN 115 3.331 10.514 17.188 856 HD21 ASN 115 1HD2 ASN 115 0.501 11.215 18.391 857 HD22 ASN 115 2HD2 ASN 115 -0.368 11.711 16.982 858 H SER 116 H SER 116 1.548 6.586 18.135 859 HA SER 116 HA SER 116 -0.984 6.757 16.654 860 HB2 SER 116 1HB SER 116 0.664 4.268 17.129 861 HB3 SER 116 2HB SER 116 -1.033 4.226 16.652 862 HG SER 116 HG SER 116 0.138 5.874 14.991 863 H LYS 117 H LYS 117 -2.661 6.890 17.979 864 HA LYS 117 HA LYS 117 -2.620 5.475 20.533 865 HB2 LYS 117 1HB LYS 117 -2.867 8.447 20.193 866 HB3 LYS 117 2HB LYS 117 -3.653 7.641 21.544 867 HG2 LYS 117 1HG LYS 117 -0.742 7.218 21.000 868 HG3 LYS 117 2HG LYS 117 -1.305 8.641 21.879 869 HD2 LYS 117 1HD LYS 117 -2.114 5.857 22.672 870 HD3 LYS 117 2HD LYS 117 -0.622 6.598 23.256 871 HE2 LYS 117 1HE LYS 117 -3.154 8.139 23.501 872 HE3 LYS 117 2HE LYS 117 -2.893 6.787 24.601 873 HZ1 LYS 117 1HZ LYS 117 -1.492 8.003 25.787 874 HZ2 LYS 117 2HZ LYS 117 -1.899 9.348 24.846 875 HZ3 LYS 117 3HZ LYS 117 -0.566 8.394 24.426 876 H SER 118 H SER 118 -4.839 5.738 21.638 877 HA SER 118 HA SER 118 -7.064 6.232 19.872 878 HB2 SER 118 1HB SER 118 -7.922 4.036 19.727 879 HB3 SER 118 2HB SER 118 -6.205 3.864 19.363 880 HG SER 118 HG SER 118 -6.302 2.419 20.895 881 H GLY 119 H GLY 119 -9.171 5.816 20.990 882 HA2 GLY 119 1HA GLY 119 -9.485 7.169 23.302 883 HA3 GLY 119 2HA GLY 119 -10.540 5.836 22.858 884 HA PRO 120 HA PRO 120 -7.467 4.860 26.486 885 HB2 PRO 120 1HB PRO 120 -8.483 6.232 28.597 886 HB3 PRO 120 2HB PRO 120 -7.206 6.875 27.559 887 HG2 PRO 120 1HG PRO 120 -10.147 7.432 27.509 888 HG3 PRO 120 2HG PRO 120 -8.791 8.563 27.344 889 HD2 PRO 120 1HD PRO 120 -10.192 7.646 25.215 890 HD3 PRO 120 2HD PRO 120 -8.463 8.041 25.123 891 H SER 121 H SER 121 -10.649 4.677 25.654 892 HA SER 121 HA SER 121 -12.050 3.685 27.797 893 HB2 SER 121 1HB SER 121 -13.442 2.493 26.201 894 HB3 SER 121 2HB SER 121 -12.986 4.055 25.520 895 HG SER 121 HG SER 121 -12.682 2.488 23.958 896 H SER 122 H SER 122 -12.523 1.538 28.521 897 HA SER 122 HA SER 122 -10.459 0.020 29.360 898 HB2 SER 122 1HB SER 122 -12.048 -1.910 29.483 899 HB3 SER 122 2HB SER 122 -12.708 -0.412 30.137 900 HG SER 122 HG SER 122 -14.260 -1.282 28.822 901 H GLY 123 H GLY 123 -12.157 -0.395 26.270 902 HA2 GLY 123 1HA GLY 123 -11.608 -1.587 24.384 903 HA3 GLY 123 2HA GLY 123 -9.957 -1.129 24.774 Start of MODEL 20 1 H1 GLY 1 H GLY 1 9.749 -6.626 -33.709 2 HA2 GLY 1 1HA GLY 1 8.277 -4.431 -33.491 3 HA3 GLY 1 2HA GLY 1 9.034 -5.126 -32.065 4 H SER 2 H SER 2 8.423 -2.291 -33.165 5 HA SER 2 HA SER 2 10.840 -0.940 -33.568 6 HB2 SER 2 1HB SER 2 9.590 1.097 -32.938 7 HB3 SER 2 2HB SER 2 8.673 0.086 -34.054 8 HG SER 2 HG SER 2 7.379 -0.573 -32.397 9 H SER 3 H SER 3 12.101 0.351 -32.163 10 HA SER 3 HA SER 3 12.550 -0.850 -29.602 11 HB2 SER 3 1HB SER 3 13.795 1.640 -30.793 12 HB3 SER 3 2HB SER 3 14.400 0.735 -29.406 13 HG SER 3 HG SER 3 14.166 -1.037 -31.276 14 H GLY 4 H GLY 4 12.718 0.426 -27.589 15 HA2 GLY 4 1HA GLY 4 11.653 2.917 -27.114 16 HA3 GLY 4 2HA GLY 4 10.272 1.829 -27.109 17 H SER 5 H SER 5 10.835 3.234 -24.857 18 HA SER 5 HA SER 5 12.573 2.038 -23.020 19 HB2 SER 5 1HB SER 5 11.306 3.203 -21.300 20 HB3 SER 5 2HB SER 5 11.492 4.255 -22.703 21 HG SER 5 HG SER 5 9.227 2.650 -22.642 22 H SER 6 H SER 6 12.060 0.716 -21.157 23 HA SER 6 HA SER 6 10.861 -1.700 -21.788 24 HB2 SER 6 1HB SER 6 12.469 -1.162 -19.866 25 HB3 SER 6 2HB SER 6 11.040 -0.661 -18.962 26 HG SER 6 HG SER 6 11.260 -3.199 -20.196 27 H GLY 7 H GLY 7 9.535 0.915 -19.756 28 HA2 GLY 7 1HA GLY 7 6.885 0.494 -20.734 29 HA3 GLY 7 2HA GLY 7 7.090 -0.187 -19.127 30 HA PRO 8 HA PRO 8 5.757 4.180 -18.548 31 HB2 PRO 8 1HB PRO 8 4.137 3.631 -16.439 32 HB3 PRO 8 2HB PRO 8 3.608 3.489 -18.119 33 HG2 PRO 8 1HG PRO 8 4.531 1.352 -16.236 34 HG3 PRO 8 2HG PRO 8 3.168 1.331 -17.371 35 HD2 PRO 8 1HD PRO 8 5.536 0.136 -17.915 36 HD3 PRO 8 2HD PRO 8 4.518 0.857 -19.178 37 H GLY 9 H GLY 9 7.081 5.468 -17.438 38 HA2 GLY 9 1HA GLY 9 9.012 4.658 -15.634 39 HA3 GLY 9 2HA GLY 9 8.399 6.301 -15.751 40 H ALA 10 H ALA 10 9.209 4.545 -13.437 41 HA ALA 10 HA ALA 10 6.793 4.070 -11.957 42 HB1 ALA 10 1HB ALA 10 8.355 3.601 -10.073 43 HB2 ALA 10 2HB ALA 10 8.672 2.651 -11.525 44 HB3 ALA 10 3HB ALA 10 9.692 4.036 -11.137 45 HA PRO 11 HA PRO 11 6.191 7.998 -10.089 46 HB2 PRO 11 1HB PRO 11 5.220 7.277 -7.659 47 HB3 PRO 11 2HB PRO 11 4.285 7.124 -9.151 48 HG2 PRO 11 1HG PRO 11 5.822 5.035 -7.656 49 HG3 PRO 11 2HG PRO 11 4.217 4.923 -8.402 50 HD2 PRO 11 1HD PRO 11 6.445 3.939 -9.584 51 HD3 PRO 11 2HD PRO 11 5.083 4.597 -10.513 52 H SER 12 H SER 12 7.256 9.478 -8.856 53 HA SER 12 HA SER 12 9.223 8.493 -6.906 54 HB2 SER 12 1HB SER 12 9.685 10.368 -9.213 55 HB3 SER 12 2HB SER 12 10.700 10.441 -7.773 56 HG SER 12 HG SER 12 11.427 9.028 -9.544 57 H THR 13 H THR 13 9.835 10.028 -5.282 58 HA THR 13 HA THR 13 9.505 11.732 -3.798 59 HB THR 13 HB THR 13 7.599 13.032 -5.737 60 HG1 THR 13 1HG THR 13 9.582 14.125 -6.479 61 HG21 THR 13 1HG2 THR 13 8.383 15.088 -4.696 62 HG22 THR 13 2HG2 THR 13 9.512 14.173 -3.696 63 HG23 THR 13 3HG2 THR 13 7.774 13.979 -3.468 64 H VAL 14 H VAL 14 8.043 9.428 -3.514 65 HA VAL 14 HA VAL 14 5.250 9.959 -3.182 66 HB VAL 14 HB VAL 14 6.954 7.687 -2.153 67 HG11 VAL 14 1HG1 VAL 14 5.198 7.407 -0.760 68 HG12 VAL 14 2HG1 VAL 14 4.108 8.364 -1.764 69 HG13 VAL 14 3HG1 VAL 14 4.458 6.689 -2.190 70 HG21 VAL 14 1HG2 VAL 14 6.507 6.559 -4.069 71 HG22 VAL 14 2HG2 VAL 14 4.926 7.314 -4.276 72 HG23 VAL 14 3HG2 VAL 14 6.389 8.195 -4.719 73 H ARG 15 H ARG 15 4.210 10.777 -1.478 74 HA ARG 15 HA ARG 15 5.712 11.093 1.039 75 HB2 ARG 15 1HB ARG 15 3.871 12.980 -0.397 76 HB3 ARG 15 2HB ARG 15 4.093 13.103 1.343 77 HG2 ARG 15 1HG ARG 15 6.593 13.211 0.842 78 HG3 ARG 15 2HG ARG 15 6.116 13.498 -0.833 79 HD2 ARG 15 1HD ARG 15 6.467 15.619 0.218 80 HD3 ARG 15 2HD ARG 15 4.735 15.413 -0.041 81 HE ARG 15 HE ARG 15 5.109 14.509 2.487 82 HH11 ARG 15 2HH1 ARG 15 5.947 17.455 0.831 83 HH12 ARG 15 1HH1 ARG 15 5.841 18.438 2.253 84 HH21 ARG 15 2HH2 ARG 15 4.967 15.793 4.366 85 HH22 ARG 15 1HH2 ARG 15 5.284 17.492 4.264 86 H ILE 16 H ILE 16 4.485 11.016 2.996 87 HA ILE 16 HA ILE 16 1.812 9.823 2.757 88 HB ILE 16 HB ILE 16 3.976 8.771 4.584 89 HG12 ILE 16 1HG1 ILE 16 2.707 7.473 2.163 90 HG13 ILE 16 2HG1 ILE 16 4.310 8.201 2.184 91 HG21 ILE 16 1HG2 ILE 16 2.427 7.179 5.350 92 HG22 ILE 16 2HG2 ILE 16 1.558 8.712 5.368 93 HG23 ILE 16 3HG2 ILE 16 1.279 7.556 4.066 94 HD11 ILE 16 1HD1 ILE 16 4.045 6.295 4.315 95 HD12 ILE 16 2HD1 ILE 16 3.636 5.563 2.762 96 HD13 ILE 16 3HD1 ILE 16 5.202 6.344 2.985 97 H SER 17 H SER 17 0.401 10.935 3.921 98 HA SER 17 HA SER 17 1.343 12.291 6.362 99 HB2 SER 17 1HB SER 17 -0.794 13.279 4.459 100 HB3 SER 17 2HB SER 17 -0.230 14.103 5.913 101 HG SER 17 HG SER 17 1.365 14.872 4.797 102 H LYS 18 H LYS 18 0.284 11.822 8.180 103 HA LYS 18 HA LYS 18 -1.708 9.808 8.230 104 HB2 LYS 18 1HB LYS 18 -0.039 10.295 10.053 105 HB3 LYS 18 2HB LYS 18 -0.997 11.712 10.465 106 HG2 LYS 18 1HG LYS 18 -1.871 10.237 11.948 107 HG3 LYS 18 2HG LYS 18 -2.936 9.915 10.578 108 HD2 LYS 18 1HD LYS 18 -1.805 7.939 10.021 109 HD3 LYS 18 2HD LYS 18 -0.394 8.370 10.989 110 HE2 LYS 18 1HE LYS 18 -1.607 6.661 12.147 111 HE3 LYS 18 2HE LYS 18 -1.813 8.176 13.025 112 HZ1 LYS 18 1HZ LYS 18 -3.791 7.144 11.072 113 HZ2 LYS 18 2HZ LYS 18 -3.990 8.424 12.159 114 HZ3 LYS 18 3HZ LYS 18 -3.878 6.837 12.733 115 H ASN 19 H ASN 19 -3.882 9.913 8.350 116 HA ASN 19 HA ASN 19 -5.095 12.596 8.289 117 HB2 ASN 19 1HB ASN 19 -5.287 10.942 6.277 118 HB3 ASN 19 2HB ASN 19 -6.490 10.138 7.281 119 HD21 ASN 19 1HD2 ASN 19 -6.841 11.487 4.747 120 HD22 ASN 19 2HD2 ASN 19 -7.987 12.751 5.020 121 H VAL 20 H VAL 20 -7.056 12.942 9.411 122 HA VAL 20 HA VAL 20 -7.196 11.914 11.983 123 HB VAL 20 HB VAL 20 -9.483 12.874 12.087 124 HG11 VAL 20 1HG1 VAL 20 -8.554 14.871 12.424 125 HG12 VAL 20 2HG1 VAL 20 -7.059 14.181 11.788 126 HG13 VAL 20 3HG1 VAL 20 -8.155 15.054 10.716 127 HG21 VAL 20 1HG2 VAL 20 -9.145 13.844 9.281 128 HG22 VAL 20 2HG2 VAL 20 -9.865 12.263 9.585 129 HG23 VAL 20 3HG2 VAL 20 -10.611 13.714 10.253 130 H ASP 21 H ASP 21 -8.677 10.772 9.026 131 HA ASP 21 HA ASP 21 -10.361 8.858 10.394 132 HB2 ASP 21 1HB ASP 21 -11.354 9.643 8.428 133 HB3 ASP 21 2HB ASP 21 -9.850 9.546 7.516 134 H GLY 22 H GLY 22 -7.228 8.944 8.887 135 HA2 GLY 22 1HA GLY 22 -6.330 6.581 10.066 136 HA3 GLY 22 2HA GLY 22 -6.892 6.170 8.452 137 H ILE 23 H ILE 23 -5.558 6.477 6.773 138 HA ILE 23 HA ILE 23 -3.184 8.168 7.184 139 HB ILE 23 HB ILE 23 -3.194 5.470 5.826 140 HG12 ILE 23 1HG1 ILE 23 -1.750 6.264 8.354 141 HG13 ILE 23 2HG1 ILE 23 -3.342 5.515 8.367 142 HG21 ILE 23 1HG2 ILE 23 -0.679 5.870 5.882 143 HG22 ILE 23 2HG2 ILE 23 -1.612 6.791 4.703 144 HG23 ILE 23 3HG2 ILE 23 -1.071 7.561 6.195 145 HD11 ILE 23 1HD1 ILE 23 -2.523 3.503 7.507 146 HD12 ILE 23 2HD1 ILE 23 -1.008 4.242 6.989 147 HD13 ILE 23 3HD1 ILE 23 -1.331 4.006 8.706 148 H HIS 24 H HIS 24 -2.534 9.381 5.462 149 HA HIS 24 HA HIS 24 -4.207 9.213 3.042 150 HB2 HIS 24 1HB HIS 24 -4.365 11.295 4.532 151 HB3 HIS 24 2HB HIS 24 -2.747 11.685 3.957 152 HD1 HIS 24 1HD HIS 24 -2.563 12.786 1.708 153 HD2 HIS 24 2HD HIS 24 -6.366 11.285 2.448 154 HE1 HIS 24 1HE HIS 24 -4.000 13.639 -0.171 155 HE2 HIS 24 2HE HIS 24 -6.314 12.789 0.344 156 H LEU 25 H LEU 25 -2.960 7.942 1.743 157 HA LEU 25 HA LEU 25 -0.122 8.390 1.480 158 HB2 LEU 25 1HB LEU 25 -1.564 6.184 1.234 159 HB3 LEU 25 2HB LEU 25 -1.639 6.709 -0.446 160 HG LEU 25 HG LEU 25 1.002 6.866 -0.086 161 HD11 LEU 25 1HD1 LEU 25 1.612 4.751 1.205 162 HD12 LEU 25 2HD1 LEU 25 0.014 4.883 1.938 163 HD13 LEU 25 3HD1 LEU 25 1.189 6.182 2.144 164 HD21 LEU 25 1HD2 LEU 25 -0.214 5.588 -1.810 165 HD22 LEU 25 2HD2 LEU 25 -0.466 4.290 -0.642 166 HD23 LEU 25 3HD2 LEU 25 1.169 4.706 -1.159 167 H SER 26 H SER 26 0.898 9.550 -0.039 168 HA SER 26 HA SER 26 -0.585 10.430 -2.407 169 HB2 SER 26 1HB SER 26 -0.549 12.153 -0.435 170 HB3 SER 26 2HB SER 26 1.116 12.424 -0.948 171 HG SER 26 HG SER 26 0.415 13.445 -2.649 172 H TRP 27 H TRP 27 0.809 11.272 -4.112 173 HA TRP 27 HA TRP 27 3.644 10.993 -3.942 174 HB2 TRP 27 1HB TRP 27 3.908 9.116 -5.484 175 HB3 TRP 27 2HB TRP 27 3.020 8.612 -4.048 176 HD1 TRP 27 HD TRP 27 2.514 9.291 -7.791 177 HE1 TRP 27 1HE TRP 27 0.330 8.152 -8.538 178 HE3 TRP 27 3HE TRP 27 0.779 7.786 -3.223 179 HZ2 TRP 27 2HZ TRP 27 -1.842 6.796 -7.349 180 HZ3 TRP 27 3HZ TRP 27 -1.360 6.574 -3.115 181 HH2 TRP 27 HH TRP 27 -2.642 6.091 -5.136 182 H GLU 28 H GLU 28 4.673 11.265 -6.141 183 HA GLU 28 HA GLU 28 3.024 13.117 -7.719 184 HB2 GLU 28 1HB GLU 28 6.008 12.892 -7.347 185 HB3 GLU 28 2HB GLU 28 5.281 13.899 -8.591 186 HG2 GLU 28 1HG GLU 28 4.977 14.179 -5.614 187 HG3 GLU 28 2HG GLU 28 5.815 15.271 -6.715 188 HA PRO 29 HA PRO 29 3.083 10.531 -11.264 189 HB2 PRO 29 1HB PRO 29 3.221 12.362 -13.264 190 HB3 PRO 29 2HB PRO 29 1.766 12.108 -12.293 191 HG2 PRO 29 1HG PRO 29 3.869 14.223 -12.036 192 HG3 PRO 29 2HG PRO 29 2.106 14.379 -11.927 193 HD2 PRO 29 1HD PRO 29 3.698 14.285 -9.739 194 HD3 PRO 29 2HD PRO 29 2.048 13.630 -9.748 195 HA PRO 30 HA PRO 30 7.200 9.780 -12.622 196 HB2 PRO 30 1HB PRO 30 6.754 8.663 -15.056 197 HB3 PRO 30 2HB PRO 30 6.414 7.825 -13.537 198 HG2 PRO 30 1HG PRO 30 4.536 9.278 -15.360 199 HG3 PRO 30 2HG PRO 30 4.315 7.725 -14.534 200 HD2 PRO 30 1HD PRO 30 3.231 10.030 -13.615 201 HD3 PRO 30 2HD PRO 30 3.758 8.724 -12.533 202 H THR 31 H THR 31 8.007 11.894 -12.850 203 HA THR 31 HA THR 31 7.572 13.857 -14.600 204 HB THR 31 HB THR 31 9.406 13.942 -12.980 205 HG1 THR 31 1HG THR 31 10.548 15.325 -14.191 206 HG21 THR 31 1HG2 THR 31 10.314 11.694 -13.329 207 HG22 THR 31 2HG2 THR 31 11.573 12.919 -13.493 208 HG23 THR 31 3HG2 THR 31 10.881 12.168 -14.930 209 H SER 32 H SER 32 9.165 10.818 -15.395 210 HA SER 32 HA SER 32 10.305 11.166 -17.787 211 HB2 SER 32 1HB SER 32 8.358 8.974 -17.045 212 HB3 SER 32 2HB SER 32 9.389 8.924 -18.475 213 HG SER 32 HG SER 32 11.171 8.826 -17.192 214 HA PRO 33 HA PRO 33 7.497 12.821 -20.726 215 HB2 PRO 33 1HB PRO 33 8.353 11.626 -23.008 216 HB3 PRO 33 2HB PRO 33 9.265 12.901 -22.192 217 HG2 PRO 33 1HG PRO 33 9.652 9.935 -22.091 218 HG3 PRO 33 2HG PRO 33 10.868 11.218 -22.230 219 HD2 PRO 33 1HD PRO 33 10.324 9.975 -19.887 220 HD3 PRO 33 2HD PRO 33 10.827 11.675 -19.972 221 H SER 34 H SER 34 7.226 9.769 -19.620 222 HA SER 34 HA SER 34 5.452 8.677 -21.614 223 HB2 SER 34 1HB SER 34 5.089 6.887 -19.862 224 HB3 SER 34 2HB SER 34 6.760 7.094 -20.384 225 HG SER 34 HG SER 34 7.097 7.253 -18.308 226 H GLY 35 H GLY 35 3.512 9.587 -21.868 227 HA2 GLY 35 1HA GLY 35 1.942 10.156 -19.431 228 HA3 GLY 35 2HA GLY 35 1.909 11.216 -20.833 229 H ASN 36 H ASN 36 1.690 7.680 -20.444 230 HA ASN 36 HA ASN 36 -0.940 7.788 -21.757 231 HB2 ASN 36 1HB ASN 36 1.431 6.077 -22.455 232 HB3 ASN 36 2HB ASN 36 -0.205 5.534 -22.818 233 HD21 ASN 36 1HD2 ASN 36 -1.243 6.347 -24.542 234 HD22 ASN 36 2HD2 ASN 36 -0.592 7.546 -25.601 235 H ILE 37 H ILE 37 -0.164 7.541 -18.941 236 HA ILE 37 HA ILE 37 -0.665 4.788 -18.218 237 HB ILE 37 HB ILE 37 -0.454 7.260 -16.496 238 HG12 ILE 37 1HG1 ILE 37 1.724 5.928 -15.855 239 HG13 ILE 37 2HG1 ILE 37 1.496 5.191 -17.437 240 HG21 ILE 37 1HG2 ILE 37 0.064 5.199 -14.835 241 HG22 ILE 37 2HG2 ILE 37 -1.524 5.944 -15.014 242 HG23 ILE 37 3HG2 ILE 37 -1.141 4.463 -15.891 243 HD11 ILE 37 1HD1 ILE 37 1.268 8.074 -17.538 244 HD12 ILE 37 2HD1 ILE 37 2.822 7.542 -16.894 245 HD13 ILE 37 3HD1 ILE 37 2.285 6.982 -18.477 246 H LEU 38 H LEU 38 -2.735 4.464 -19.158 247 HA LEU 38 HA LEU 38 -5.020 5.856 -19.030 248 HB2 LEU 38 1HB LEU 38 -4.899 2.945 -18.268 249 HB3 LEU 38 2HB LEU 38 -6.258 3.800 -18.995 250 HG LEU 38 HG LEU 38 -3.616 3.285 -20.357 251 HD11 LEU 38 1HD1 LEU 38 -4.378 1.211 -20.631 252 HD12 LEU 38 2HD1 LEU 38 -5.593 1.911 -21.701 253 HD13 LEU 38 3HD1 LEU 38 -5.973 1.627 -20.002 254 HD21 LEU 38 1HD2 LEU 38 -5.602 5.165 -20.906 255 HD22 LEU 38 2HD2 LEU 38 -5.880 3.850 -22.049 256 HD23 LEU 38 3HD2 LEU 38 -4.304 4.639 -21.979 257 H GLU 39 H GLU 39 -3.722 3.934 -16.343 258 HA GLU 39 HA GLU 39 -4.916 5.692 -14.418 259 HB2 GLU 39 1HB GLU 39 -6.752 4.034 -15.166 260 HB3 GLU 39 2HB GLU 39 -5.837 2.834 -14.264 261 HG2 GLU 39 1HG GLU 39 -6.031 4.280 -12.256 262 HG3 GLU 39 2HG GLU 39 -7.081 5.350 -13.183 263 H TYR 40 H TYR 40 -4.320 5.124 -12.202 264 HA TYR 40 HA TYR 40 -1.775 3.661 -12.161 265 HB2 TYR 40 1HB TYR 40 -2.911 5.831 -10.406 266 HB3 TYR 40 2HB TYR 40 -1.506 4.885 -9.926 267 HD1 TYR 40 2HD TYR 40 -2.629 6.588 -13.067 268 HD2 TYR 40 1HD TYR 40 0.480 6.005 -10.221 269 HE1 TYR 40 2HE TYR 40 -1.178 8.104 -14.350 270 HE2 TYR 40 1HE TYR 40 1.939 7.520 -11.495 271 HH TYR 40 HH TYR 40 2.072 8.280 -13.991 272 H SER 41 H SER 41 -1.277 2.602 -9.996 273 HA SER 41 HA SER 41 -3.612 1.496 -8.650 274 HB2 SER 41 1HB SER 41 -2.889 -0.825 -8.986 275 HB3 SER 41 2HB SER 41 -3.215 -0.044 -10.533 276 HG SER 41 HG SER 41 -0.614 -0.076 -9.450 277 H ALA 42 H ALA 42 -3.257 1.347 -6.534 278 HA ALA 42 HA ALA 42 -0.475 1.486 -5.583 279 HB1 ALA 42 1HB ALA 42 -1.842 2.152 -3.394 280 HB2 ALA 42 2HB ALA 42 -1.387 3.330 -4.626 281 HB3 ALA 42 3HB ALA 42 -3.016 2.654 -4.611 282 H TYR 43 H TYR 43 0.352 -0.204 -4.543 283 HA TYR 43 HA TYR 43 -1.495 -2.284 -3.577 284 HB2 TYR 43 1HB TYR 43 1.326 -2.479 -4.634 285 HB3 TYR 43 2HB TYR 43 0.520 -3.806 -3.806 286 HD1 TYR 43 2HD TYR 43 0.110 -1.502 -6.708 287 HD2 TYR 43 1HD TYR 43 -0.769 -5.310 -5.026 288 HE1 TYR 43 2HE TYR 43 -0.909 -2.200 -8.835 289 HE2 TYR 43 1HE TYR 43 -1.790 -6.019 -7.148 290 HH TYR 43 HH TYR 43 -2.351 -3.779 -9.755 291 H LEU 44 H LEU 44 -1.345 -3.016 -1.515 292 HA LEU 44 HA LEU 44 0.664 -1.720 0.208 293 HB2 LEU 44 1HB LEU 44 -1.410 -0.864 0.865 294 HB3 LEU 44 2HB LEU 44 -2.211 -2.423 0.679 295 HG LEU 44 HG LEU 44 -0.903 -3.220 2.672 296 HD11 LEU 44 1HD1 LEU 44 0.907 -1.680 2.721 297 HD12 LEU 44 2HD1 LEU 44 -0.060 -1.394 4.168 298 HD13 LEU 44 3HD1 LEU 44 -0.187 -0.298 2.792 299 HD21 LEU 44 1HD2 LEU 44 -2.649 -2.677 3.968 300 HD22 LEU 44 2HD2 LEU 44 -3.282 -1.901 2.516 301 HD23 LEU 44 3HD2 LEU 44 -2.420 -0.945 3.722 302 H ALA 45 H ALA 45 2.216 -3.171 0.590 303 HA ALA 45 HA ALA 45 2.174 -5.886 0.404 304 HB1 ALA 45 1HB ALA 45 3.834 -5.437 2.591 305 HB2 ALA 45 2HB ALA 45 4.300 -5.452 0.889 306 HB3 ALA 45 3HB ALA 45 3.876 -3.930 1.674 307 H ILE 46 H ILE 46 1.191 -7.502 1.424 308 HA ILE 46 HA ILE 46 0.275 -7.085 4.188 309 HB ILE 46 HB ILE 46 -1.811 -8.186 3.758 310 HG12 ILE 46 1HG1 ILE 46 -1.022 -9.787 2.067 311 HG13 ILE 46 2HG1 ILE 46 -2.466 -8.943 1.519 312 HG21 ILE 46 1HG2 ILE 46 -1.105 -5.705 2.690 313 HG22 ILE 46 2HG2 ILE 46 -2.090 -6.485 1.453 314 HG23 ILE 46 3HG2 ILE 46 -2.726 -6.277 3.084 315 HD11 ILE 46 1HD1 ILE 46 0.272 -8.899 0.457 316 HD12 ILE 46 2HD1 ILE 46 -1.277 -8.724 -0.369 317 HD13 ILE 46 3HD1 ILE 46 -0.570 -7.350 0.480 318 H ARG 47 H ARG 47 -0.446 -9.271 5.155 319 HA ARG 47 HA ARG 47 1.658 -10.924 5.546 320 HB2 ARG 47 1HB ARG 47 -1.289 -11.367 5.689 321 HB3 ARG 47 2HB ARG 47 -0.229 -12.759 5.865 322 HG2 ARG 47 1HG ARG 47 0.085 -10.272 7.518 323 HG3 ARG 47 2HG ARG 47 -0.962 -11.611 7.993 324 HD2 ARG 47 1HD ARG 47 1.965 -11.919 7.354 325 HD3 ARG 47 2HD ARG 47 1.344 -11.655 8.982 326 HE ARG 47 HE ARG 47 1.386 -14.107 7.572 327 HH11 ARG 47 2HH1 ARG 47 -0.580 -12.231 9.749 328 HH12 ARG 47 1HH1 ARG 47 -1.361 -13.614 10.443 329 HH21 ARG 47 2HH2 ARG 47 0.365 -15.934 8.478 330 HH22 ARG 47 1HH2 ARG 47 -0.822 -15.720 9.719 331 H THR 48 H THR 48 2.590 -12.688 4.612 332 HA THR 48 HA THR 48 1.617 -13.405 1.923 333 HB THR 48 HB THR 48 3.794 -12.330 1.816 334 HG1 THR 48 1HG THR 48 3.845 -15.147 1.393 335 HG21 THR 48 1HG2 THR 48 5.487 -12.703 3.243 336 HG22 THR 48 2HG2 THR 48 5.288 -14.454 3.160 337 HG23 THR 48 3HG2 THR 48 4.279 -13.502 4.249 338 H ALA 49 H ALA 49 1.752 -15.593 1.265 339 HA ALA 49 HA ALA 49 0.904 -17.482 3.107 340 HB1 ALA 49 1HB ALA 49 1.924 -17.585 0.328 341 HB2 ALA 49 2HB ALA 49 1.871 -19.102 1.226 342 HB3 ALA 49 3HB ALA 49 0.397 -18.159 1.000 343 H GLN 50 H GLN 50 4.165 -17.041 1.750 344 HA GLN 50 HA GLN 50 5.323 -19.123 3.314 345 HB2 GLN 50 1HB GLN 50 6.388 -16.941 1.565 346 HB3 GLN 50 2HB GLN 50 7.491 -17.819 2.617 347 HG2 GLN 50 1HG GLN 50 5.667 -19.147 0.630 348 HG3 GLN 50 2HG GLN 50 7.333 -18.686 0.284 349 HE21 GLN 50 1HE2 GLN 50 8.990 -19.896 1.081 350 HE22 GLN 50 2HE2 GLN 50 8.766 -21.391 1.918 351 H MET 51 H MET 51 6.601 -18.995 5.150 352 HA MET 51 HA MET 51 6.542 -16.421 6.580 353 HB2 MET 51 1HB MET 51 6.157 -19.179 7.757 354 HB3 MET 51 2HB MET 51 6.272 -17.690 8.685 355 HG2 MET 51 1HG MET 51 4.255 -16.860 7.513 356 HG3 MET 51 2HG MET 51 4.117 -18.429 6.722 357 HE1 MET 51 1HE MET 51 2.278 -20.455 8.362 358 HE2 MET 51 2HE MET 51 3.896 -20.464 7.660 359 HE3 MET 51 3HE MET 51 3.667 -20.904 9.353 360 H GLN 52 H GLN 52 8.570 -15.700 6.613 361 HA GLN 52 HA GLN 52 10.674 -17.532 7.525 362 HB2 GLN 52 1HB GLN 52 10.739 -15.751 5.102 363 HB3 GLN 52 2HB GLN 52 12.219 -16.253 5.908 364 HG2 GLN 52 1HG GLN 52 11.457 -18.627 5.592 365 HG3 GLN 52 2HG GLN 52 10.175 -17.993 4.562 366 HE21 GLN 52 1HE2 GLN 52 10.880 -18.930 2.692 367 HE22 GLN 52 2HE2 GLN 52 12.344 -18.479 1.895 368 H ASP 53 H ASP 53 11.663 -16.750 9.255 369 HA ASP 53 HA ASP 53 11.114 -14.361 10.496 370 HB2 ASP 53 1HB ASP 53 12.327 -16.324 11.492 371 HB3 ASP 53 2HB ASP 53 13.777 -15.781 10.653 372 H ASN 54 H ASN 54 13.876 -15.071 8.367 373 HA ASN 54 HA ASN 54 14.911 -12.422 8.455 374 HB2 ASN 54 1HB ASN 54 15.437 -14.353 6.209 375 HB3 ASN 54 2HB ASN 54 16.519 -13.151 6.906 376 HD21 ASN 54 1HD2 ASN 54 16.580 -16.166 6.498 377 HD22 ASN 54 2HD2 ASN 54 17.084 -16.776 8.034 378 HA PRO 55 HA PRO 55 12.436 -10.324 5.496 379 HB2 PRO 55 1HB PRO 55 14.254 -8.620 4.419 380 HB3 PRO 55 2HB PRO 55 13.604 -8.424 6.051 381 HG2 PRO 55 1HG PRO 55 16.209 -9.614 5.180 382 HG3 PRO 55 2HG PRO 55 15.878 -8.511 6.528 383 HD2 PRO 55 1HD PRO 55 16.201 -11.177 6.873 384 HD3 PRO 55 2HD PRO 55 15.121 -10.206 7.894 385 H SER 56 H SER 56 11.709 -11.335 3.732 386 HA SER 56 HA SER 56 13.574 -11.758 1.501 387 HB2 SER 56 1HB SER 56 12.767 -13.947 1.064 388 HB3 SER 56 2HB SER 56 13.068 -13.900 2.801 389 HG SER 56 HG SER 56 10.542 -13.480 1.575 390 H GLN 57 H GLN 57 11.990 -12.647 -0.432 391 HA GLN 57 HA GLN 57 10.782 -10.560 -1.589 392 HB2 GLN 57 1HB GLN 57 9.515 -12.057 -2.953 393 HB3 GLN 57 2HB GLN 57 11.030 -12.861 -2.561 394 HG2 GLN 57 1HG GLN 57 10.024 -14.419 -1.230 395 HG3 GLN 57 2HG GLN 57 8.673 -13.362 -0.824 396 HE21 GLN 57 1HE2 GLN 57 7.673 -15.573 -1.315 397 HE22 GLN 57 2HE2 GLN 57 7.116 -15.800 -2.935 398 H LEU 58 H LEU 58 8.716 -9.642 -1.731 399 HA LEU 58 HA LEU 58 6.858 -10.325 0.446 400 HB2 LEU 58 1HB LEU 58 8.106 -7.721 -0.218 401 HB3 LEU 58 2HB LEU 58 6.407 -7.701 0.250 402 HG LEU 58 HG LEU 58 8.519 -8.990 1.958 403 HD11 LEU 58 1HD1 LEU 58 7.866 -6.584 3.145 404 HD12 LEU 58 2HD1 LEU 58 8.086 -6.168 1.446 405 HD13 LEU 58 3HD1 LEU 58 9.382 -6.973 2.331 406 HD21 LEU 58 1HD2 LEU 58 6.919 -9.013 3.627 407 HD22 LEU 58 2HD2 LEU 58 5.962 -9.367 2.188 408 HD23 LEU 58 3HD2 LEU 58 5.961 -7.740 2.871 409 H VAL 59 H VAL 59 4.677 -10.099 -0.002 410 HA VAL 59 HA VAL 59 4.033 -9.761 -2.851 411 HB VAL 59 HB VAL 59 3.451 -11.942 -1.793 412 HG11 VAL 59 1HG1 VAL 59 2.734 -10.569 0.377 413 HG12 VAL 59 2HG1 VAL 59 1.152 -10.707 -0.392 414 HG13 VAL 59 3HG1 VAL 59 2.073 -12.160 -0.002 415 HG21 VAL 59 1HG2 VAL 59 0.810 -11.436 -2.387 416 HG22 VAL 59 2HG2 VAL 59 1.669 -10.172 -3.268 417 HG23 VAL 59 3HG2 VAL 59 2.067 -11.867 -3.547 418 H PHE 60 H PHE 60 2.750 -8.154 -3.520 419 HA PHE 60 HA PHE 60 1.353 -6.562 -1.471 420 HB2 PHE 60 1HB PHE 60 2.343 -5.396 -4.060 421 HB3 PHE 60 2HB PHE 60 1.918 -4.564 -2.567 422 HD1 PHE 60 1HD PHE 60 4.480 -6.556 -4.276 423 HD2 PHE 60 2HD PHE 60 3.490 -4.346 -0.775 424 HE1 PHE 60 1HE PHE 60 6.847 -6.564 -3.606 425 HE2 PHE 60 2HE PHE 60 5.856 -4.349 -0.100 426 HZ PHE 60 HZ PHE 60 7.538 -5.459 -1.516 427 H MET 61 H MET 61 -0.767 -6.245 -1.751 428 HA MET 61 HA MET 61 -1.958 -7.163 -4.279 429 HB2 MET 61 1HB MET 61 -4.027 -7.498 -2.993 430 HB3 MET 61 2HB MET 61 -2.688 -8.422 -2.324 431 HG2 MET 61 1HG MET 61 -2.548 -7.118 -0.439 432 HG3 MET 61 2HG MET 61 -3.294 -5.725 -1.219 433 HE1 MET 61 1HE MET 61 -4.593 -5.232 0.781 434 HE2 MET 61 2HE MET 61 -5.997 -6.119 1.375 435 HE3 MET 61 3HE MET 61 -4.371 -6.642 1.816 436 H ARG 62 H ARG 62 -3.845 -6.009 -5.074 437 HA ARG 62 HA ARG 62 -3.426 -3.173 -5.025 438 HB2 ARG 62 1HB ARG 62 -4.121 -4.461 -7.057 439 HB3 ARG 62 2HB ARG 62 -5.691 -4.709 -6.305 440 HG2 ARG 62 1HG ARG 62 -4.648 -1.935 -6.620 441 HG3 ARG 62 2HG ARG 62 -5.328 -2.776 -8.015 442 HD2 ARG 62 1HD ARG 62 -6.713 -2.310 -5.375 443 HD3 ARG 62 2HD ARG 62 -7.016 -1.427 -6.871 444 HE ARG 62 HE ARG 62 -7.357 -4.253 -7.165 445 HH11 ARG 62 2HH1 ARG 62 -8.889 -1.311 -6.107 446 HH12 ARG 62 1HH1 ARG 62 -10.497 -1.902 -6.364 447 HH21 ARG 62 2HH2 ARG 62 -9.469 -5.043 -7.508 448 HH22 ARG 62 1HH2 ARG 62 -10.826 -4.025 -7.160 449 H ILE 63 H ILE 63 -4.284 -1.780 -3.643 450 HA ILE 63 HA ILE 63 -6.672 -2.593 -2.126 451 HB ILE 63 HB ILE 63 -5.990 -0.967 -0.423 452 HG12 ILE 63 1HG1 ILE 63 -3.426 -0.629 -1.981 453 HG13 ILE 63 2HG1 ILE 63 -4.764 0.510 -2.089 454 HG21 ILE 63 1HG2 ILE 63 -3.517 -2.549 -0.840 455 HG22 ILE 63 2HG2 ILE 63 -4.527 -2.380 0.595 456 HG23 ILE 63 3HG2 ILE 63 -5.042 -3.428 -0.726 457 HD11 ILE 63 1HD1 ILE 63 -3.465 -0.206 0.518 458 HD12 ILE 63 2HD1 ILE 63 -2.892 1.108 -0.510 459 HD13 ILE 63 3HD1 ILE 63 -4.524 1.158 0.157 460 H TYR 64 H TYR 64 -5.239 -0.040 -4.055 461 HA TYR 64 HA TYR 64 -7.889 1.213 -4.252 462 HB2 TYR 64 1HB TYR 64 -6.790 2.709 -2.806 463 HB3 TYR 64 2HB TYR 64 -5.261 2.555 -3.663 464 HD1 TYR 64 2HD TYR 64 -4.966 3.668 -5.867 465 HD2 TYR 64 1HD TYR 64 -8.428 4.304 -3.478 466 HE1 TYR 64 2HE TYR 64 -5.490 5.685 -7.173 467 HE2 TYR 64 1HE TYR 64 -8.963 6.322 -4.778 468 HH TYR 64 HH TYR 64 -6.771 7.543 -7.257 469 H CYS 65 H CYS 65 -8.474 1.880 -6.261 470 HA CYS 65 HA CYS 65 -6.462 1.681 -8.399 471 HB2 CYS 65 1HB CYS 65 -7.836 -0.332 -8.465 472 HB3 CYS 65 2HB CYS 65 -9.301 0.642 -8.478 473 HG CYS 65 HG CYS 65 -7.906 1.844 -10.988 474 H GLY 66 H GLY 66 -6.193 3.856 -8.699 475 HA2 GLY 66 1HA GLY 66 -8.272 5.219 -10.145 476 HA3 GLY 66 2HA GLY 66 -7.993 5.900 -8.549 477 H LEU 67 H LEU 67 -7.483 6.793 -11.438 478 HA LEU 67 HA LEU 67 -4.765 6.972 -11.964 479 HB2 LEU 67 1HB LEU 67 -5.308 8.946 -13.303 480 HB3 LEU 67 2HB LEU 67 -6.441 7.623 -13.578 481 HG LEU 67 HG LEU 67 -7.170 9.755 -11.624 482 HD11 LEU 67 1HD1 LEU 67 -6.958 10.077 -14.581 483 HD12 LEU 67 2HD1 LEU 67 -6.619 11.234 -13.294 484 HD13 LEU 67 3HD1 LEU 67 -8.287 10.847 -13.715 485 HD21 LEU 67 1HD2 LEU 67 -8.540 7.768 -13.373 486 HD22 LEU 67 2HD2 LEU 67 -9.397 9.240 -12.914 487 HD23 LEU 67 3HD2 LEU 67 -8.800 8.142 -11.669 488 H LYS 68 H LYS 68 -6.791 8.954 -9.871 489 HA LYS 68 HA LYS 68 -5.286 11.127 -9.318 490 HB2 LYS 68 1HB LYS 68 -7.471 10.231 -8.203 491 HB3 LYS 68 2HB LYS 68 -6.373 9.551 -7.009 492 HG2 LYS 68 1HG LYS 68 -5.608 11.680 -6.350 493 HG3 LYS 68 2HG LYS 68 -6.339 12.460 -7.755 494 HD2 LYS 68 1HD LYS 68 -8.009 11.005 -5.730 495 HD3 LYS 68 2HD LYS 68 -7.525 12.684 -5.484 496 HE2 LYS 68 1HE LYS 68 -8.756 11.910 -8.084 497 HE3 LYS 68 2HE LYS 68 -9.797 12.072 -6.670 498 HZ1 LYS 68 1HZ LYS 68 -9.725 14.150 -7.809 499 HZ2 LYS 68 2HZ LYS 68 -8.034 14.157 -7.832 500 HZ3 LYS 68 3HZ LYS 68 -8.860 14.328 -6.366 501 H THR 69 H THR 69 -3.506 11.673 -8.105 502 HA THR 69 HA THR 69 -1.668 9.478 -7.532 503 HB THR 69 HB THR 69 0.062 11.207 -7.339 504 HG1 THR 69 1HG THR 69 -0.632 13.135 -6.817 505 HG21 THR 69 1HG2 THR 69 0.285 11.580 -9.601 506 HG22 THR 69 2HG2 THR 69 -1.426 11.948 -9.819 507 HG23 THR 69 3HG2 THR 69 -0.903 10.278 -9.600 508 H SER 70 H SER 70 -3.854 9.789 -5.753 509 HA SER 70 HA SER 70 -2.444 9.882 -3.272 510 HB2 SER 70 1HB SER 70 -3.873 11.700 -2.269 511 HB3 SER 70 2HB SER 70 -2.702 12.264 -3.461 512 HG SER 70 HG SER 70 -4.394 13.147 -4.346 513 H CYS 71 H CYS 71 -3.330 8.372 -2.036 514 HA CYS 71 HA CYS 71 -6.227 7.917 -2.191 515 HB2 CYS 71 1HB CYS 71 -5.889 5.498 -2.177 516 HB3 CYS 71 2HB CYS 71 -5.111 6.218 -3.581 517 HG CYS 71 HG CYS 71 -3.517 5.172 -0.738 518 H THR 72 H THR 72 -7.003 6.533 -0.344 519 HA THR 72 HA THR 72 -5.434 7.104 2.087 520 HB THR 72 HB THR 72 -8.445 7.157 1.805 521 HG1 THR 72 1HG THR 72 -6.490 9.200 2.131 522 HG21 THR 72 1HG2 THR 72 -8.618 7.540 4.081 523 HG22 THR 72 2HG2 THR 72 -6.941 8.068 4.224 524 HG23 THR 72 3HG2 THR 72 -7.312 6.357 4.018 525 H VAL 73 H VAL 73 -5.289 5.521 3.624 526 HA VAL 73 HA VAL 73 -6.424 2.904 2.890 527 HB VAL 73 HB VAL 73 -3.964 3.512 4.536 528 HG11 VAL 73 1HG1 VAL 73 -4.735 0.791 3.568 529 HG12 VAL 73 2HG1 VAL 73 -3.670 1.247 4.899 530 HG13 VAL 73 3HG1 VAL 73 -5.418 1.424 5.065 531 HG21 VAL 73 1HG2 VAL 73 -3.732 3.919 2.104 532 HG22 VAL 73 2HG2 VAL 73 -2.707 2.607 2.687 533 HG23 VAL 73 3HG2 VAL 73 -4.192 2.242 1.810 534 H THR 74 H THR 74 -7.584 1.747 4.352 535 HA THR 74 HA THR 74 -8.389 3.161 6.780 536 HB THR 74 HB THR 74 -10.170 1.382 6.904 537 HG1 THR 74 1HG THR 74 -10.446 0.074 5.084 538 HG21 THR 74 1HG2 THR 74 -10.560 2.530 4.229 539 HG22 THR 74 2HG2 THR 74 -10.100 3.696 5.469 540 HG23 THR 74 3HG2 THR 74 -11.536 2.697 5.687 541 H ALA 75 H ALA 75 -8.938 1.636 8.679 542 HA ALA 75 HA ALA 75 -6.516 0.458 9.564 543 HB1 ALA 75 1HB ALA 75 -8.741 -0.416 11.140 544 HB2 ALA 75 2HB ALA 75 -7.469 0.737 11.547 545 HB3 ALA 75 3HB ALA 75 -8.933 1.290 10.733 546 H GLY 76 H GLY 76 -9.715 -1.030 8.980 547 HA2 GLY 76 1HA GLY 76 -9.263 -3.642 9.364 548 HA3 GLY 76 2HA GLY 76 -10.191 -3.075 7.984 549 H GLN 77 H GLN 77 -8.152 -1.868 6.503 550 HA GLN 77 HA GLN 77 -6.949 -4.207 5.339 551 HB2 GLN 77 1HB GLN 77 -6.724 -1.280 4.619 552 HB3 GLN 77 2HB GLN 77 -6.044 -2.597 3.672 553 HG2 GLN 77 1HG GLN 77 -8.948 -2.640 4.314 554 HG3 GLN 77 2HG GLN 77 -8.362 -1.544 3.064 555 HE21 GLN 77 1HE2 GLN 77 -7.996 -2.323 1.091 556 HE22 GLN 77 2HE2 GLN 77 -8.038 -3.994 0.655 557 H LEU 78 H LEU 78 -5.805 -1.324 7.043 558 HA LEU 78 HA LEU 78 -3.081 -1.608 6.770 559 HB2 LEU 78 1HB LEU 78 -4.833 -0.519 8.917 560 HB3 LEU 78 2HB LEU 78 -3.110 -0.694 9.243 561 HG LEU 78 HG LEU 78 -4.279 0.918 6.975 562 HD11 LEU 78 1HD1 LEU 78 -4.488 1.601 9.562 563 HD12 LEU 78 2HD1 LEU 78 -4.254 2.770 8.262 564 HD13 LEU 78 3HD1 LEU 78 -2.874 2.225 9.216 565 HD21 LEU 78 1HD2 LEU 78 -2.195 1.272 6.249 566 HD22 LEU 78 2HD2 LEU 78 -1.771 -0.158 7.190 567 HD23 LEU 78 3HD2 LEU 78 -1.556 1.450 7.883 568 H ALA 79 H ALA 79 -5.167 -3.100 9.234 569 HA ALA 79 HA ALA 79 -3.283 -4.414 10.745 570 HB1 ALA 79 1HB ALA 79 -5.211 -4.905 11.743 571 HB2 ALA 79 2HB ALA 79 -6.126 -4.686 10.251 572 HB3 ALA 79 3HB ALA 79 -5.359 -6.236 10.595 573 H ASN 80 H ASN 80 -4.673 -5.396 7.649 574 HA ASN 80 HA ASN 80 -3.424 -7.954 7.591 575 HB2 ASN 80 1HB ASN 80 -4.660 -6.244 5.428 576 HB3 ASN 80 2HB ASN 80 -4.018 -7.858 5.132 577 HD21 ASN 80 1HD2 ASN 80 -6.747 -6.167 5.763 578 HD22 ASN 80 2HD2 ASN 80 -7.724 -7.424 6.434 579 H ALA 81 H ALA 81 -2.388 -4.754 6.844 580 HA ALA 81 HA ALA 81 -0.341 -5.305 4.997 581 HB1 ALA 81 1HB ALA 81 0.270 -3.114 5.225 582 HB2 ALA 81 2HB ALA 81 -1.374 -3.041 5.863 583 HB3 ALA 81 3HB ALA 81 -0.001 -3.103 6.968 584 H HIS 82 H HIS 82 1.623 -6.174 5.209 585 HA HIS 82 HA HIS 82 2.433 -7.258 7.742 586 HB2 HIS 82 1HB HIS 82 2.819 -8.516 5.683 587 HB3 HIS 82 2HB HIS 82 3.842 -7.223 5.064 588 HD1 HIS 82 1HD HIS 82 4.073 -10.387 6.681 589 HD2 HIS 82 2HD HIS 82 6.184 -6.817 6.928 590 HE1 HIS 82 1HE HIS 82 6.279 -10.982 7.731 591 HE2 HIS 82 2HE HIS 82 7.505 -8.793 7.948 592 H ILE 83 H ILE 83 2.896 -5.560 9.115 593 HA ILE 83 HA ILE 83 4.619 -3.403 8.373 594 HB ILE 83 HB ILE 83 3.740 -4.307 11.118 595 HG12 ILE 83 1HG1 ILE 83 2.669 -2.093 9.355 596 HG13 ILE 83 2HG1 ILE 83 1.891 -3.654 9.592 597 HG21 ILE 83 1HG2 ILE 83 5.840 -2.730 10.678 598 HG22 ILE 83 2HG2 ILE 83 4.565 -1.517 10.571 599 HG23 ILE 83 3HG2 ILE 83 4.740 -2.486 12.034 600 HD11 ILE 83 1HD1 ILE 83 1.061 -1.638 10.942 601 HD12 ILE 83 2HD1 ILE 83 1.312 -3.168 11.783 602 HD13 ILE 83 3HD1 ILE 83 2.510 -1.881 11.918 603 H ASP 84 H ASP 84 6.748 -3.491 8.192 604 HA ASP 84 HA ASP 84 8.252 -5.745 9.129 605 HB2 ASP 84 1HB ASP 84 8.825 -3.291 7.543 606 HB3 ASP 84 2HB ASP 84 10.184 -4.079 8.340 607 H TYR 85 H TYR 85 8.229 -5.811 11.346 608 HA TYR 85 HA TYR 85 8.814 -3.506 12.950 609 HB2 TYR 85 1HB TYR 85 8.250 -6.387 13.462 610 HB3 TYR 85 2HB TYR 85 9.079 -5.477 14.720 611 HD1 TYR 85 1HD TYR 85 7.928 -3.045 15.119 612 HD2 TYR 85 2HD TYR 85 5.965 -6.532 13.672 613 HE1 TYR 85 1HE TYR 85 5.774 -2.147 15.896 614 HE2 TYR 85 2HE TYR 85 3.805 -5.643 14.443 615 HH TYR 85 HH TYR 85 3.446 -2.387 15.548 616 H THR 86 H THR 86 10.760 -5.057 10.961 617 HA THR 86 HA THR 86 12.974 -5.999 12.266 618 HB THR 86 HB THR 86 13.088 -4.191 9.846 619 HG1 THR 86 1HG THR 86 12.443 -5.878 8.677 620 HG21 THR 86 1HG2 THR 86 15.032 -5.785 9.323 621 HG22 THR 86 2HG2 THR 86 14.958 -6.223 11.030 622 HG23 THR 86 3HG2 THR 86 15.291 -4.556 10.561 623 H SER 87 H SER 87 13.266 -4.888 14.230 624 HA SER 87 HA SER 87 13.958 -3.216 15.638 625 HB2 SER 87 1HB SER 87 15.961 -3.172 13.385 626 HB3 SER 87 2HB SER 87 16.152 -2.158 14.815 627 HG SER 87 HG SER 87 15.667 -4.460 15.815 628 H ARG 88 H ARG 88 11.977 -2.448 13.543 629 HA ARG 88 HA ARG 88 11.782 0.283 14.130 630 HB2 ARG 88 1HB ARG 88 13.443 -0.366 11.832 631 HB3 ARG 88 2HB ARG 88 12.081 0.653 11.389 632 HG2 ARG 88 1HG ARG 88 12.764 2.383 12.807 633 HG3 ARG 88 2HG ARG 88 13.860 1.330 13.704 634 HD2 ARG 88 1HD ARG 88 15.149 1.072 11.531 635 HD3 ARG 88 2HD ARG 88 14.176 2.406 10.913 636 HE ARG 88 HE ARG 88 15.573 2.895 13.409 637 HH11 ARG 88 2HH1 ARG 88 15.553 3.209 9.942 638 HH12 ARG 88 1HH1 ARG 88 16.709 4.500 9.922 639 HH21 ARG 88 2HH2 ARG 88 17.095 4.594 13.396 640 HH22 ARG 88 1HH2 ARG 88 17.585 5.286 11.887 641 HA PRO 89 HA PRO 89 7.811 -1.401 12.827 642 HB2 PRO 89 1HB PRO 89 6.340 0.459 14.149 643 HB3 PRO 89 2HB PRO 89 7.052 -0.948 14.948 644 HG2 PRO 89 1HG PRO 89 8.044 1.875 14.841 645 HG3 PRO 89 2HG PRO 89 7.991 0.759 16.218 646 HD2 PRO 89 1HD PRO 89 10.255 1.226 14.807 647 HD3 PRO 89 2HD PRO 89 9.905 -0.344 15.559 648 H ALA 90 H ALA 90 7.887 -0.888 10.638 649 HA ALA 90 HA ALA 90 6.640 1.664 9.939 650 HB1 ALA 90 1HB ALA 90 8.209 2.168 8.211 651 HB2 ALA 90 2HB ALA 90 9.115 1.908 9.702 652 HB3 ALA 90 3HB ALA 90 9.066 0.648 8.470 653 H ILE 91 H ILE 91 5.677 1.670 7.803 654 HA ILE 91 HA ILE 91 4.874 -1.036 6.981 655 HB ILE 91 HB ILE 91 3.501 1.628 6.772 656 HG12 ILE 91 1HG1 ILE 91 2.207 -0.929 7.608 657 HG13 ILE 91 2HG1 ILE 91 3.344 -0.170 8.717 658 HG21 ILE 91 1HG2 ILE 91 1.736 0.001 5.567 659 HG22 ILE 91 2HG2 ILE 91 2.898 0.995 4.690 660 HG23 ILE 91 3HG2 ILE 91 3.244 -0.708 4.988 661 HD11 ILE 91 1HD1 ILE 91 0.629 0.418 8.354 662 HD12 ILE 91 2HD1 ILE 91 1.795 1.258 9.376 663 HD13 ILE 91 3HD1 ILE 91 1.528 1.796 7.718 664 H VAL 92 H VAL 92 5.267 -1.773 4.976 665 HA VAL 92 HA VAL 92 6.807 -0.045 3.184 666 HB VAL 92 HB VAL 92 6.376 -3.034 3.087 667 HG11 VAL 92 1HG1 VAL 92 6.781 -1.963 0.881 668 HG12 VAL 92 2HG1 VAL 92 8.313 -1.349 1.507 669 HG13 VAL 92 3HG1 VAL 92 8.049 -3.087 1.367 670 HG21 VAL 92 1HG2 VAL 92 9.066 -1.996 3.574 671 HG22 VAL 92 2HG2 VAL 92 7.917 -1.639 4.864 672 HG23 VAL 92 3HG2 VAL 92 8.196 -3.308 4.368 673 H PHE 93 H PHE 93 5.879 0.862 1.480 674 HA PHE 93 HA PHE 93 3.319 -0.221 0.525 675 HB2 PHE 93 1HB PHE 93 4.530 2.533 0.432 676 HB3 PHE 93 2HB PHE 93 3.185 2.088 -0.614 677 HD1 PHE 93 2HD PHE 93 1.092 1.121 0.552 678 HD2 PHE 93 1HD PHE 93 4.124 3.334 2.559 679 HE1 PHE 93 2HE PHE 93 -0.488 1.633 2.367 680 HE2 PHE 93 1HE PHE 93 2.549 3.849 4.378 681 HZ PHE 93 HZ PHE 93 0.239 2.999 4.283 682 H ARG 94 H ARG 94 2.908 0.035 -1.843 683 HA ARG 94 HA ARG 94 5.277 -0.019 -3.530 684 HB2 ARG 94 1HB ARG 94 3.580 -2.394 -2.933 685 HB3 ARG 94 2HB ARG 94 4.150 -2.187 -4.584 686 HG2 ARG 94 1HG ARG 94 6.018 -2.104 -2.239 687 HG3 ARG 94 2HG ARG 94 5.560 -3.616 -3.026 688 HD2 ARG 94 1HD ARG 94 6.515 -1.378 -4.732 689 HD3 ARG 94 2HD ARG 94 7.704 -2.246 -3.761 690 HE ARG 94 HE ARG 94 5.947 -3.911 -5.346 691 HH11 ARG 94 2HH1 ARG 94 8.988 -2.226 -5.164 692 HH12 ARG 94 1HH1 ARG 94 9.745 -3.193 -6.387 693 HH21 ARG 94 2HH2 ARG 94 6.932 -5.190 -6.957 694 HH22 ARG 94 1HH2 ARG 94 8.574 -4.878 -7.406 695 H ILE 95 H ILE 95 4.817 1.325 -5.132 696 HA ILE 95 HA ILE 95 2.124 1.233 -6.318 697 HB ILE 95 HB ILE 95 3.769 3.733 -5.910 698 HG12 ILE 95 1HG1 ILE 95 1.090 3.309 -4.664 699 HG13 ILE 95 2HG1 ILE 95 2.480 2.518 -3.929 700 HG21 ILE 95 1HG2 ILE 95 2.409 3.726 -7.962 701 HG22 ILE 95 2HG2 ILE 95 0.974 3.401 -6.990 702 HG23 ILE 95 3HG2 ILE 95 1.850 4.919 -6.790 703 HD11 ILE 95 1HD1 ILE 95 1.882 5.428 -4.193 704 HD12 ILE 95 2HD1 ILE 95 2.350 4.500 -2.767 705 HD13 ILE 95 3HD1 ILE 95 3.545 4.874 -4.008 706 H SER 96 H SER 96 1.991 1.545 -8.541 707 HA SER 96 HA SER 96 4.435 1.988 -10.056 708 HB2 SER 96 1HB SER 96 4.285 -0.488 -9.628 709 HB3 SER 96 2HB SER 96 2.773 -0.495 -10.536 710 HG SER 96 HG SER 96 4.846 -0.977 -11.689 711 H ALA 97 H ALA 97 3.910 1.951 -12.481 712 HA ALA 97 HA ALA 97 1.311 3.282 -12.864 713 HB1 ALA 97 1HB ALA 97 4.015 3.756 -14.008 714 HB2 ALA 97 2HB ALA 97 2.605 4.123 -15.002 715 HB3 ALA 97 3HB ALA 97 2.810 4.910 -13.437 716 H LYS 98 H LYS 98 -0.055 2.627 -14.458 717 HA LYS 98 HA LYS 98 0.666 0.139 -15.843 718 HB2 LYS 98 1HB LYS 98 -1.326 0.069 -14.384 719 HB3 LYS 98 2HB LYS 98 -2.064 1.342 -15.347 720 HG2 LYS 98 1HG LYS 98 -1.762 -0.267 -17.328 721 HG3 LYS 98 2HG LYS 98 -1.521 -1.505 -16.093 722 HD2 LYS 98 1HD LYS 98 -3.690 -1.348 -15.323 723 HD3 LYS 98 2HD LYS 98 -3.888 0.305 -15.907 724 HE2 LYS 98 1HE LYS 98 -4.206 -0.397 -18.120 725 HE3 LYS 98 2HE LYS 98 -3.540 -1.997 -17.800 726 HZ1 LYS 98 1HZ LYS 98 -6.002 -1.099 -16.448 727 HZ2 LYS 98 2HZ LYS 98 -5.464 -2.676 -16.738 728 HZ3 LYS 98 3HZ LYS 98 -6.067 -1.741 -18.012 729 H ASN 99 H ASN 99 0.635 -0.022 -18.028 730 HA ASN 99 HA ASN 99 -0.281 2.308 -19.569 731 HB2 ASN 99 1HB ASN 99 1.672 2.369 -20.889 732 HB3 ASN 99 2HB ASN 99 2.260 2.196 -19.238 733 HD21 ASN 99 1HD2 ASN 99 3.715 1.546 -21.559 734 HD22 ASN 99 2HD2 ASN 99 4.017 -0.155 -21.540 735 H GLU 100 H GLU 100 -0.291 1.711 -22.006 736 HA GLU 100 HA GLU 100 -2.246 -0.013 -22.617 737 HB2 GLU 100 1HB GLU 100 0.241 0.353 -24.296 738 HB3 GLU 100 2HB GLU 100 -1.314 -0.226 -24.877 739 HG2 GLU 100 1HG GLU 100 -2.271 1.982 -24.088 740 HG3 GLU 100 2HG GLU 100 -0.602 2.520 -23.901 741 H LYS 101 H LYS 101 1.165 -0.914 -22.297 742 HA LYS 101 HA LYS 101 0.855 -3.628 -23.000 743 HB2 LYS 101 1HB LYS 101 2.932 -2.253 -21.289 744 HB3 LYS 101 2HB LYS 101 3.042 -3.929 -21.810 745 HG2 LYS 101 1HG LYS 101 2.682 -1.779 -23.845 746 HG3 LYS 101 2HG LYS 101 4.273 -2.056 -23.132 747 HD2 LYS 101 1HD LYS 101 4.320 -3.422 -25.003 748 HD3 LYS 101 2HD LYS 101 3.828 -4.542 -23.731 749 HE2 LYS 101 1HE LYS 101 1.667 -4.678 -24.502 750 HE3 LYS 101 2HE LYS 101 1.724 -3.089 -25.262 751 HZ1 LYS 101 1HZ LYS 101 3.609 -4.738 -26.514 752 HZ2 LYS 101 2HZ LYS 101 2.209 -4.058 -27.175 753 HZ3 LYS 101 3HZ LYS 101 2.145 -5.584 -26.447 754 H GLY 102 H GLY 102 1.456 -2.285 -19.743 755 HA2 GLY 102 1HA GLY 102 -0.658 -3.507 -18.429 756 HA3 GLY 102 2HA GLY 102 0.656 -4.673 -18.425 757 H TYR 103 H TYR 103 2.483 -4.294 -17.180 758 HA TYR 103 HA TYR 103 2.588 -1.849 -15.591 759 HB2 TYR 103 1HB TYR 103 2.181 -4.611 -14.487 760 HB3 TYR 103 2HB TYR 103 3.038 -3.396 -13.545 761 HD1 TYR 103 2HD TYR 103 1.835 -1.207 -13.042 762 HD2 TYR 103 1HD TYR 103 -0.164 -4.652 -14.539 763 HE1 TYR 103 2HE TYR 103 -0.311 -0.297 -12.257 764 HE2 TYR 103 1HE TYR 103 -2.316 -3.750 -13.760 765 HH TYR 103 HH TYR 103 -3.220 -2.183 -12.260 766 H GLY 104 H GLY 104 4.628 -1.219 -15.085 767 HA2 GLY 104 1HA GLY 104 6.799 -3.017 -15.964 768 HA3 GLY 104 2HA GLY 104 6.871 -1.262 -16.040 769 HA PRO 105 HA PRO 105 9.278 -1.939 -12.321 770 HB2 PRO 105 1HB PRO 105 10.173 0.618 -12.151 771 HB3 PRO 105 2HB PRO 105 10.869 -0.572 -13.257 772 HG2 PRO 105 1HG PRO 105 8.874 1.591 -13.811 773 HG3 PRO 105 2HG PRO 105 10.280 1.093 -14.770 774 HD2 PRO 105 1HD PRO 105 7.755 0.326 -15.379 775 HD3 PRO 105 2HD PRO 105 9.169 -0.699 -15.701 776 H ALA 106 H ALA 106 8.833 -1.625 -10.195 777 HA ALA 106 HA ALA 106 6.620 0.211 -9.551 778 HB1 ALA 106 1HB ALA 106 7.240 -1.929 -7.631 779 HB2 ALA 106 2HB ALA 106 5.684 -1.346 -8.223 780 HB3 ALA 106 3HB ALA 106 6.632 -2.470 -9.196 781 H THR 107 H THR 107 6.652 1.086 -7.321 782 HA THR 107 HA THR 107 9.409 1.579 -6.401 783 HB THR 107 HB THR 107 7.098 3.530 -6.412 784 HG1 THR 107 1HG THR 107 9.231 3.045 -8.107 785 HG21 THR 107 1HG2 THR 107 8.749 3.593 -4.440 786 HG22 THR 107 2HG2 THR 107 8.469 5.091 -5.329 787 HG23 THR 107 3HG2 THR 107 9.930 4.149 -5.625 788 H GLN 108 H GLN 108 9.815 1.425 -4.252 789 HA GLN 108 HA GLN 108 7.533 0.744 -2.516 790 HB2 GLN 108 1HB GLN 108 9.291 -1.062 -3.083 791 HB3 GLN 108 2HB GLN 108 10.355 -0.163 -2.009 792 HG2 GLN 108 1HG GLN 108 8.292 -0.377 -0.374 793 HG3 GLN 108 2HG GLN 108 7.948 -1.778 -1.387 794 HE21 GLN 108 1HE2 GLN 108 10.234 -0.319 0.809 795 HE22 GLN 108 2HE2 GLN 108 11.098 -1.768 1.184 796 H ILE 109 H ILE 109 7.524 1.527 -0.394 797 HA ILE 109 HA ILE 109 9.630 3.327 0.467 798 HB ILE 109 HB ILE 109 8.246 4.832 -0.845 799 HG12 ILE 109 1HG1 ILE 109 7.618 5.339 2.062 800 HG13 ILE 109 2HG1 ILE 109 9.243 5.510 1.406 801 HG21 ILE 109 1HG2 ILE 109 5.888 5.255 -0.149 802 HG22 ILE 109 2HG2 ILE 109 6.158 3.667 -0.866 803 HG23 ILE 109 3HG2 ILE 109 5.992 3.828 0.882 804 HD11 ILE 109 1HD1 ILE 109 7.348 6.938 -0.213 805 HD12 ILE 109 2HD1 ILE 109 7.233 7.432 1.477 806 HD13 ILE 109 3HD1 ILE 109 8.779 7.528 0.634 807 H ARG 110 H ARG 110 9.864 3.303 2.624 808 HA ARG 110 HA ARG 110 7.958 1.728 4.173 809 HB2 ARG 110 1HB ARG 110 10.634 1.631 4.155 810 HB3 ARG 110 2HB ARG 110 10.418 2.832 5.421 811 HG2 ARG 110 1HG ARG 110 8.883 1.209 6.563 812 HG3 ARG 110 2HG ARG 110 9.390 0.008 5.374 813 HD2 ARG 110 1HD ARG 110 10.646 -0.110 7.513 814 HD3 ARG 110 2HD ARG 110 11.669 0.162 6.104 815 HE ARG 110 HE ARG 110 10.884 2.589 7.414 816 HH11 ARG 110 2HH1 ARG 110 13.170 -0.037 7.420 817 HH12 ARG 110 1HH1 ARG 110 14.408 0.870 8.224 818 HH21 ARG 110 2HH2 ARG 110 12.507 3.794 8.472 819 HH22 ARG 110 1HH2 ARG 110 14.030 3.049 8.822 820 H TRP 111 H TRP 111 6.830 2.486 5.920 821 HA TRP 111 HA TRP 111 7.002 5.382 6.439 822 HB2 TRP 111 1HB TRP 111 4.954 4.673 5.151 823 HB3 TRP 111 2HB TRP 111 4.472 3.733 6.561 824 HD1 TRP 111 HD TRP 111 5.656 7.419 6.138 825 HE1 TRP 111 1HE TRP 111 4.009 8.921 7.424 826 HE3 TRP 111 3HE TRP 111 2.453 3.825 7.857 827 HZ2 TRP 111 2HZ TRP 111 1.662 8.622 8.964 828 HZ3 TRP 111 3HZ TRP 111 0.531 4.516 9.230 829 HH2 TRP 111 HH TRP 111 0.146 6.865 9.771 830 H LEU 112 H LEU 112 7.993 5.532 8.357 831 HA LEU 112 HA LEU 112 7.664 3.573 10.426 832 HB2 LEU 112 1HB LEU 112 9.182 6.109 10.097 833 HB3 LEU 112 2HB LEU 112 8.900 5.512 11.730 834 HG LEU 112 HG LEU 112 10.165 3.794 9.614 835 HD11 LEU 112 1HD1 LEU 112 12.248 4.579 11.152 836 HD12 LEU 112 2HD1 LEU 112 11.312 6.071 11.074 837 HD13 LEU 112 3HD1 LEU 112 11.844 5.286 9.588 838 HD21 LEU 112 1HD2 LEU 112 10.990 2.544 11.485 839 HD22 LEU 112 2HD2 LEU 112 9.251 2.761 11.685 840 HD23 LEU 112 3HD2 LEU 112 10.377 3.746 12.621 841 H GLN 113 H GLN 113 5.738 3.460 11.407 842 HA GLN 113 HA GLN 113 4.152 5.819 11.909 843 HB2 GLN 113 1HB GLN 113 2.525 4.254 12.874 844 HB3 GLN 113 2HB GLN 113 3.050 3.736 11.278 845 HG2 GLN 113 1HG GLN 113 4.317 1.978 12.130 846 HG3 GLN 113 2HG GLN 113 4.341 2.662 13.754 847 HE21 GLN 113 1HE2 GLN 113 1.959 1.617 11.336 848 HE22 GLN 113 2HE2 GLN 113 0.941 0.779 12.453 849 H GLY 114 H GLY 114 3.132 5.998 14.177 850 HA2 GLY 114 1HA GLY 114 5.286 6.463 16.020 851 HA3 GLY 114 2HA GLY 114 3.582 6.789 16.302 852 H ASN 115 H ASN 115 2.221 4.731 16.565 853 HA ASN 115 HA ASN 115 3.570 2.433 17.640 854 HB2 ASN 115 1HB ASN 115 3.769 3.922 19.561 855 HB3 ASN 115 2HB ASN 115 2.041 4.259 19.508 856 HD21 ASN 115 1HD2 ASN 115 1.158 3.355 21.220 857 HD22 ASN 115 2HD2 ASN 115 1.430 1.739 21.768 858 H SER 116 H SER 116 2.157 0.684 18.058 859 HA SER 116 HA SER 116 0.036 0.360 16.348 860 HB2 SER 116 1HB SER 116 0.432 -1.000 19.024 861 HB3 SER 116 2HB SER 116 -0.621 -1.577 17.733 862 HG SER 116 HG SER 116 1.965 -2.032 18.049 863 H LYS 117 H LYS 117 -2.260 0.181 16.705 864 HA LYS 117 HA LYS 117 -3.225 2.171 18.644 865 HB2 LYS 117 1HB LYS 117 -3.602 2.402 16.086 866 HB3 LYS 117 2HB LYS 117 -4.823 1.157 16.310 867 HG2 LYS 117 1HG LYS 117 -5.986 3.181 16.414 868 HG3 LYS 117 2HG LYS 117 -5.818 2.666 18.094 869 HD2 LYS 117 1HD LYS 117 -4.193 4.272 18.551 870 HD3 LYS 117 2HD LYS 117 -3.804 4.501 16.844 871 HE2 LYS 117 1HE LYS 117 -6.440 5.262 18.091 872 HE3 LYS 117 2HE LYS 117 -5.090 6.377 17.888 873 HZ1 LYS 117 1HZ LYS 117 -6.858 6.390 16.103 874 HZ2 LYS 117 2HZ LYS 117 -6.254 4.889 15.611 875 HZ3 LYS 117 3HZ LYS 117 -5.258 6.256 15.570 876 H SER 118 H SER 118 -5.017 1.735 19.938 877 HA SER 118 HA SER 118 -6.251 -0.887 19.846 878 HB2 SER 118 1HB SER 118 -4.423 -1.520 21.203 879 HB3 SER 118 2HB SER 118 -4.458 -0.003 22.103 880 HG SER 118 HG SER 118 -6.066 -0.730 23.304 881 H GLY 119 H GLY 119 -8.321 -0.805 20.492 882 HA2 GLY 119 1HA GLY 119 -9.415 0.669 22.559 883 HA3 GLY 119 2HA GLY 119 -9.488 1.711 21.146 884 HA PRO 120 HA PRO 120 -12.860 -1.748 21.272 885 HB2 PRO 120 1HB PRO 120 -14.753 -0.648 22.877 886 HB3 PRO 120 2HB PRO 120 -13.497 -1.737 23.479 887 HG2 PRO 120 1HG PRO 120 -13.613 1.253 23.566 888 HG3 PRO 120 2HG PRO 120 -13.109 0.116 24.830 889 HD2 PRO 120 1HD PRO 120 -11.335 1.471 23.298 890 HD3 PRO 120 2HD PRO 120 -11.009 -0.159 23.921 891 H SER 121 H SER 121 -14.657 -1.632 19.947 892 HA SER 121 HA SER 121 -15.348 1.050 18.938 893 HB2 SER 121 1HB SER 121 -14.020 -0.597 17.409 894 HB3 SER 121 2HB SER 121 -15.575 -1.409 17.229 895 HG SER 121 HG SER 121 -16.187 0.129 15.944 896 H SER 122 H SER 122 -17.514 1.359 18.215 897 HA SER 122 HA SER 122 -19.419 -0.266 19.715 898 HB2 SER 122 1HB SER 122 -19.858 2.332 18.222 899 HB3 SER 122 2HB SER 122 -21.004 1.549 19.310 900 HG SER 122 HG SER 122 -19.520 3.331 20.116 901 H GLY 123 H GLY 123 -21.014 -1.476 18.812 902 HA2 GLY 123 1HA GLY 123 -21.824 -2.906 17.174 903 HA3 GLY 123 2HA GLY 123 -22.266 -1.374 16.436
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