NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471023 | 2kmu | 16544 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.050 -0.993 -1.667 3 HA3 GLY 1 HA3 GLY 1 1.594 0.682 -1.936 4 H SER 2 H SER 2 3.067 2.303 -1.579 5 HA SER 2 HA SER 2 5.835 1.435 -1.393 6 HB2 SER 2 HB2 SER 2 5.019 4.303 -1.708 7 HB3 SER 2 HB3 SER 2 6.419 3.462 -2.373 8 HG SER 2 HG SER 2 3.799 3.588 -3.310 9 H MET 3 H MET 3 5.956 0.873 0.811 10 HA MET 3 HA MET 3 5.354 2.822 2.846 11 HB2 MET 3 HB2 MET 3 6.240 1.137 4.405 12 HB3 MET 3 HB3 MET 3 5.038 0.454 3.318 13 HG2 MET 3 HG2 MET 3 6.861 -0.451 1.926 14 HG3 MET 3 HG3 MET 3 8.024 0.163 3.098 15 HE1 MET 3 HE1 MET 3 8.970 -2.055 4.948 16 HE2 MET 3 HE2 MET 3 8.354 -0.427 5.233 17 HE3 MET 3 HE3 MET 3 7.707 -1.788 6.151 18 H GLU 4 H GLU 4 8.249 1.507 1.308 19 HA GLU 4 HA GLU 4 10.124 2.811 2.974 20 HB2 GLU 4 HB2 GLU 4 10.570 0.863 1.421 21 HB3 GLU 4 HB3 GLU 4 10.552 2.017 0.095 22 HG2 GLU 4 HG2 GLU 4 12.387 3.254 1.266 23 HG3 GLU 4 HG3 GLU 4 12.478 1.906 2.399 24 H ARG 5 H ARG 5 8.723 3.671 -0.171 25 HA ARG 5 HA ARG 5 10.179 6.078 -0.483 26 HB2 ARG 5 HB2 ARG 5 7.538 5.226 -1.682 27 HB3 ARG 5 HB3 ARG 5 8.475 6.619 -2.204 28 HG2 ARG 5 HG2 ARG 5 9.708 3.898 -2.190 29 HG3 ARG 5 HG3 ARG 5 8.653 4.399 -3.513 30 HD2 ARG 5 HD2 ARG 5 10.116 6.009 -4.250 31 HD3 ARG 5 HD3 ARG 5 10.848 6.221 -2.660 32 HE ARG 5 HE ARG 5 11.447 3.646 -3.583 33 HH11 ARG 5 HH11 ARG 5 12.173 6.972 -4.311 34 HH12 ARG 5 HH12 ARG 5 13.736 6.622 -4.972 35 HH21 ARG 5 HH21 ARG 5 13.502 3.172 -4.452 36 HH22 ARG 5 HH22 ARG 5 14.490 4.460 -5.053 37 H LEU 6 H LEU 6 6.854 5.444 0.621 38 HA LEU 6 HA LEU 6 6.141 8.098 1.138 39 HB2 LEU 6 HB2 LEU 6 4.535 6.262 1.039 40 HB3 LEU 6 HB3 LEU 6 5.213 5.582 2.517 41 HG LEU 6 HG LEU 6 4.499 7.732 3.663 42 HD11 LEU 6 HD11 LEU 6 2.354 8.246 1.817 43 HD12 LEU 6 HD12 LEU 6 3.918 8.492 1.040 44 HD13 LEU 6 HD13 LEU 6 3.523 9.363 2.521 45 HD21 LEU 6 HD21 LEU 6 2.040 6.986 3.631 46 HD22 LEU 6 HD22 LEU 6 3.254 5.833 4.188 47 HD23 LEU 6 HD23 LEU 6 2.592 5.700 2.558 48 H ARG 7 H ARG 7 7.685 5.678 3.208 49 HA ARG 7 HA ARG 7 7.684 7.210 5.574 50 HB2 ARG 7 HB2 ARG 7 8.079 4.762 5.489 51 HB3 ARG 7 HB3 ARG 7 9.642 5.063 4.741 52 HG2 ARG 7 HG2 ARG 7 10.250 4.774 6.926 53 HG3 ARG 7 HG3 ARG 7 10.047 6.527 6.868 54 HD2 ARG 7 HD2 ARG 7 8.364 6.472 8.331 55 HD3 ARG 7 HD3 ARG 7 7.563 5.158 7.472 56 HE ARG 7 HE ARG 7 8.421 3.704 9.006 57 HH11 ARG 7 HH11 ARG 7 10.275 6.648 9.101 58 HH12 ARG 7 HH12 ARG 7 11.221 6.162 10.469 59 HH21 ARG 7 HH21 ARG 7 9.659 3.052 10.807 60 HH22 ARG 7 HH22 ARG 7 10.870 4.116 11.438 61 H ASP 8 H ASP 8 10.169 6.750 3.074 62 HA ASP 8 HA ASP 8 12.112 8.413 4.247 63 HB2 ASP 8 HB2 ASP 8 11.671 7.674 1.347 64 HB3 ASP 8 HB3 ASP 8 13.112 8.479 1.964 65 H VAL 9 H VAL 9 9.702 9.082 1.718 66 HA VAL 9 HA VAL 9 10.378 11.783 1.331 67 HB VAL 9 HB VAL 9 7.707 10.429 0.927 68 HG11 VAL 9 HG11 VAL 9 8.696 13.166 0.354 69 HG12 VAL 9 HG12 VAL 9 7.677 12.395 -0.862 70 HG13 VAL 9 HG13 VAL 9 7.078 12.611 0.783 71 HG21 VAL 9 HG21 VAL 9 9.227 11.063 -1.449 72 HG22 VAL 9 HG22 VAL 9 10.126 9.993 -0.374 73 HG23 VAL 9 HG23 VAL 9 8.522 9.529 -0.941 74 H ARG 10 H ARG 10 7.746 10.343 3.260 75 HA ARG 10 HA ARG 10 6.681 12.664 4.315 76 HB2 ARG 10 HB2 ARG 10 5.669 10.436 4.585 77 HB3 ARG 10 HB3 ARG 10 6.957 9.988 5.695 78 HG2 ARG 10 HG2 ARG 10 5.018 10.547 6.967 79 HG3 ARG 10 HG3 ARG 10 6.220 11.818 7.201 80 HD2 ARG 10 HD2 ARG 10 4.741 13.330 6.529 81 HD3 ARG 10 HD3 ARG 10 4.649 12.532 4.959 82 HE ARG 10 HE ARG 10 3.021 11.088 6.658 83 HH11 ARG 10 HH11 ARG 10 3.193 14.346 5.445 84 HH12 ARG 10 HH12 ARG 10 1.482 14.604 5.523 85 HH21 ARG 10 HH21 ARG 10 0.766 11.416 6.766 86 HH22 ARG 10 HH22 ARG 10 0.102 12.937 6.276 87 H GLU 11 H GLU 11 9.293 10.653 5.653 88 HA GLU 11 HA GLU 11 9.757 12.272 7.922 89 HB2 GLU 11 HB2 GLU 11 10.513 9.943 7.783 90 HB3 GLU 11 HB3 GLU 11 11.631 10.376 6.498 91 HG2 GLU 11 HG2 GLU 11 13.175 11.040 7.943 92 HG3 GLU 11 HG3 GLU 11 12.018 12.025 8.837 93 H ARG 12 H ARG 12 11.233 12.179 4.706 94 HA ARG 12 HA ARG 12 13.268 14.046 5.154 95 HB2 ARG 12 HB2 ARG 12 11.824 13.049 2.738 96 HB3 ARG 12 HB3 ARG 12 12.853 14.465 2.575 97 HG2 ARG 12 HG2 ARG 12 13.846 11.914 3.801 98 HG3 ARG 12 HG3 ARG 12 13.886 12.204 2.060 99 HD2 ARG 12 HD2 ARG 12 15.744 13.400 2.275 100 HD3 ARG 12 HD3 ARG 12 14.937 14.490 3.403 101 HE ARG 12 HE ARG 12 15.651 12.189 4.805 102 HH11 ARG 12 HH11 ARG 12 17.188 14.846 3.162 103 HH12 ARG 12 HH12 ARG 12 18.603 14.815 4.162 104 HH21 ARG 12 HH21 ARG 12 17.508 12.138 6.127 105 HH22 ARG 12 HH22 ARG 12 18.785 13.274 5.847 106 H LEU 13 H LEU 13 9.944 14.502 3.996 107 HA LEU 13 HA LEU 13 10.128 17.288 3.604 108 HB2 LEU 13 HB2 LEU 13 8.224 15.329 3.188 109 HB3 LEU 13 HB3 LEU 13 7.493 16.361 4.415 110 HG LEU 13 HG LEU 13 8.507 17.303 1.733 111 HD11 LEU 13 HD11 LEU 13 6.441 15.785 1.804 112 HD12 LEU 13 HD12 LEU 13 6.306 17.332 0.968 113 HD13 LEU 13 HD13 LEU 13 5.639 17.146 2.589 114 HD21 LEU 13 HD21 LEU 13 6.665 18.875 3.454 115 HD22 LEU 13 HD22 LEU 13 7.886 19.421 2.304 116 HD23 LEU 13 HD23 LEU 13 8.373 18.828 3.892 117 H GLN 14 H GLN 14 8.835 15.392 6.325 118 HA GLN 14 HA GLN 14 8.029 17.457 7.968 119 HB2 GLN 14 HB2 GLN 14 9.270 14.808 8.726 120 HB3 GLN 14 HB3 GLN 14 8.470 15.886 9.863 121 HG2 GLN 14 HG2 GLN 14 6.860 15.242 7.514 122 HG3 GLN 14 HG3 GLN 14 7.279 13.846 8.506 123 HE21 GLN 14 HE21 GLN 14 6.613 17.206 9.391 124 HE22 GLN 14 HE22 GLN 14 5.287 16.851 10.439 125 H ALA 15 H ALA 15 11.149 15.750 8.285 126 HA ALA 15 HA ALA 15 12.327 17.516 10.072 127 HB1 ALA 15 HB1 ALA 15 14.042 16.217 8.018 128 HB2 ALA 15 HB2 ALA 15 14.263 16.341 9.764 129 HB3 ALA 15 HB3 ALA 15 13.101 15.192 9.101 130 H TRP 16 H TRP 16 12.308 17.578 6.534 131 HA TRP 16 HA TRP 16 14.122 19.604 6.061 132 HB2 TRP 16 HB2 TRP 16 13.209 18.413 4.205 133 HB3 TRP 16 HB3 TRP 16 11.566 18.891 4.622 134 HD1 TRP 16 HD1 TRP 16 10.709 20.559 2.894 135 HE1 TRP 16 HE1 TRP 16 11.686 22.563 1.609 136 HE3 TRP 16 HE3 TRP 16 15.511 20.378 4.638 137 HZ2 TRP 16 HZ2 TRP 16 14.165 23.892 1.366 138 HZ3 TRP 16 HZ3 TRP 16 17.123 22.052 3.829 139 HH2 TRP 16 HH2 TRP 16 16.462 23.771 2.226 140 H GLU 17 H GLU 17 10.627 20.227 5.856 141 HA GLU 17 HA GLU 17 10.759 22.970 6.126 142 HB2 GLU 17 HB2 GLU 17 8.407 22.920 6.672 143 HB3 GLU 17 HB3 GLU 17 8.740 21.702 5.449 144 HG2 GLU 17 HG2 GLU 17 8.643 19.950 7.079 145 HG3 GLU 17 HG3 GLU 17 8.510 21.119 8.391 146 H ARG 18 H ARG 18 10.832 20.503 8.601 147 HA ARG 18 HA ARG 18 10.235 21.998 10.861 148 HB2 ARG 18 HB2 ARG 18 11.607 19.484 10.281 149 HB3 ARG 18 HB3 ARG 18 12.227 20.286 11.718 150 HG2 ARG 18 HG2 ARG 18 9.328 19.640 11.227 151 HG3 ARG 18 HG3 ARG 18 10.433 18.671 12.204 152 HD2 ARG 18 HD2 ARG 18 10.828 20.736 13.593 153 HD3 ARG 18 HD3 ARG 18 9.496 21.486 12.715 154 HE ARG 18 HE ARG 18 8.521 19.097 13.687 155 HH11 ARG 18 HH11 ARG 18 9.874 22.019 15.010 156 HH12 ARG 18 HH12 ARG 18 8.980 21.918 16.491 157 HH21 ARG 18 HH21 ARG 18 7.338 18.952 15.633 158 HH22 ARG 18 HH22 ARG 18 7.539 20.173 16.844 159 H ALA 19 H ALA 19 13.574 21.056 10.078 160 HA ALA 19 HA ALA 19 14.725 23.131 11.602 161 HB1 ALA 19 HB1 ALA 19 15.664 20.844 10.495 162 HB2 ALA 19 HB2 ALA 19 16.363 22.052 9.416 163 HB3 ALA 19 HB3 ALA 19 16.684 22.126 11.148 164 H PHE 20 H PHE 20 13.780 22.898 8.239 165 HA PHE 20 HA PHE 20 15.184 25.000 7.121 166 HB2 PHE 20 HB2 PHE 20 13.962 23.777 5.576 167 HB3 PHE 20 HB3 PHE 20 12.506 23.788 6.565 168 HD1 PHE 20 HD2 PHE 20 14.707 26.075 4.622 169 HD2 PHE 20 HD1 PHE 20 10.783 25.226 6.034 170 HE1 PHE 20 HE2 PHE 20 13.828 27.953 3.298 171 HE2 PHE 20 HE1 PHE 20 9.897 27.102 4.711 172 HZ PHE 20 HZ PHE 20 11.421 28.469 3.341 173 H ARG 21 H ARG 21 11.809 25.241 8.254 174 HA ARG 21 HA ARG 21 11.840 28.078 8.288 175 HB2 ARG 21 HB2 ARG 21 9.750 26.912 8.002 176 HB3 ARG 21 HB3 ARG 21 9.953 26.080 9.538 177 HG2 ARG 21 HG2 ARG 21 9.178 27.816 10.728 178 HG3 ARG 21 HG3 ARG 21 9.984 29.008 9.708 179 HD2 ARG 21 HD2 ARG 21 8.228 29.148 8.246 180 HD3 ARG 21 HD3 ARG 21 7.687 27.502 8.571 181 HE ARG 21 HE ARG 21 6.859 29.886 9.919 182 HH11 ARG 21 HH11 ARG 21 7.323 26.453 10.269 183 HH12 ARG 21 HH12 ARG 21 6.155 26.292 11.539 184 HH21 ARG 21 HH21 ARG 21 5.318 29.687 11.590 185 HH22 ARG 21 HH22 ARG 21 5.015 28.132 12.289 186 H ARG 22 H ARG 22 13.126 25.791 10.398 187 HA ARG 22 HA ARG 22 12.765 27.222 12.854 188 HB2 ARG 22 HB2 ARG 22 13.128 24.773 12.765 189 HB3 ARG 22 HB3 ARG 22 14.760 25.056 12.174 190 HG2 ARG 22 HG2 ARG 22 14.919 26.505 14.379 191 HG3 ARG 22 HG3 ARG 22 13.635 25.410 14.894 192 HD2 ARG 22 HD2 ARG 22 15.574 23.805 13.655 193 HD3 ARG 22 HD3 ARG 22 16.462 24.937 14.675 194 HE ARG 22 HE ARG 22 14.438 24.002 16.261 195 HH11 ARG 22 HH11 ARG 22 17.033 22.562 14.442 196 HH12 ARG 22 HH12 ARG 22 17.209 21.211 15.512 197 HH21 ARG 22 HH21 ARG 22 14.659 22.228 17.678 198 HH22 ARG 22 HH22 ARG 22 15.857 21.022 17.352 199 H GLN 23 H GLN 23 15.498 26.755 10.625 200 HA GLN 23 HA GLN 23 16.980 28.856 12.019 201 HB2 GLN 23 HB2 GLN 23 17.878 27.050 9.768 202 HB3 GLN 23 HB3 GLN 23 18.900 28.134 10.703 203 HG2 GLN 23 HG2 GLN 23 17.547 26.445 12.526 204 HG3 GLN 23 HG3 GLN 23 18.201 25.436 11.237 205 HE21 GLN 23 HE21 GLN 23 18.970 27.711 13.769 206 HE22 GLN 23 HE22 GLN 23 20.652 27.329 13.872 207 H ARG 24 H ARG 24 15.974 28.005 8.711 208 HA ARG 24 HA ARG 24 16.805 30.428 7.530 209 HB2 ARG 24 HB2 ARG 24 14.535 28.718 6.529 210 HB3 ARG 24 HB3 ARG 24 15.631 29.724 5.592 211 HG2 ARG 24 HG2 ARG 24 16.297 27.155 7.010 212 HG3 ARG 24 HG3 ARG 24 16.205 27.422 5.268 213 HD2 ARG 24 HD2 ARG 24 18.083 28.974 5.399 214 HD3 ARG 24 HD3 ARG 24 18.161 28.744 7.145 215 HE ARG 24 HE ARG 24 18.413 26.313 5.623 216 HH11 ARG 24 HH11 ARG 24 20.094 29.022 7.021 217 HH12 ARG 24 HH12 ARG 24 21.616 28.199 7.109 218 HH21 ARG 24 HH21 ARG 24 20.411 25.219 5.734 219 HH22 ARG 24 HH22 ARG 24 21.796 26.036 6.376 220 H GLY 25 H GLY 25 13.686 29.368 8.843 221 HA2 GLY 25 HA2 GLY 25 11.768 30.536 9.335 222 HA3 GLY 25 HA3 GLY 25 12.870 31.826 9.793 223 H ARG 26 H ARG 26 12.597 30.562 6.533 224 HA ARG 26 HA ARG 26 10.705 32.294 5.476 225 HB2 ARG 26 HB2 ARG 26 13.105 33.650 6.182 226 HB3 ARG 26 HB3 ARG 26 13.024 33.586 4.427 227 HG2 ARG 26 HG2 ARG 26 10.686 34.497 4.610 228 HG3 ARG 26 HG3 ARG 26 11.019 34.776 6.321 229 HD2 ARG 26 HD2 ARG 26 13.089 35.788 4.514 230 HD3 ARG 26 HD3 ARG 26 11.513 36.552 4.303 231 HE ARG 26 HE ARG 26 11.891 36.606 6.987 232 HH11 ARG 26 HH11 ARG 26 13.787 37.652 4.262 233 HH12 ARG 26 HH12 ARG 26 14.545 38.951 5.122 234 HH21 ARG 26 HH21 ARG 26 12.882 38.312 8.130 235 HH22 ARG 26 HH22 ARG 26 14.030 39.325 7.323 236 H ARG 27 H ARG 27 11.108 32.659 3.023 237 HA ARG 27 HA ARG 27 11.273 30.247 1.740 238 HB2 ARG 27 HB2 ARG 27 10.899 32.886 0.968 239 HB3 ARG 27 HB3 ARG 27 12.329 32.391 0.074 240 HG2 ARG 27 HG2 ARG 27 11.184 30.714 -1.069 241 HG3 ARG 27 HG3 ARG 27 9.853 30.708 0.090 242 HD2 ARG 27 HD2 ARG 27 8.931 31.833 -1.706 243 HD3 ARG 27 HD3 ARG 27 9.502 33.157 -0.690 244 HE ARG 27 HE ARG 27 11.510 32.421 -2.529 245 HH11 ARG 27 HH11 ARG 27 8.423 34.022 -2.372 246 HH12 ARG 27 HH12 ARG 27 8.731 35.033 -3.745 247 HH21 ARG 27 HH21 ARG 27 11.928 33.747 -4.338 248 HH22 ARG 27 HH22 ARG 27 10.724 34.875 -4.863 249 HA PRO 28 HA PRO 28 15.523 29.084 1.758 250 HB2 PRO 28 HB2 PRO 28 15.477 27.337 -0.320 251 HB3 PRO 28 HB3 PRO 28 14.784 26.965 1.262 252 HG2 PRO 28 HG2 PRO 28 13.416 27.885 -1.236 253 HG3 PRO 28 HG3 PRO 28 12.919 26.630 -0.086 254 HD2 PRO 28 HD2 PRO 28 11.856 29.121 -0.073 255 HD3 PRO 28 HD3 PRO 28 12.059 28.162 1.407 256 H SER 29 H SER 29 17.365 28.795 0.126 257 HA SER 29 HA SER 29 17.168 30.847 -1.980 258 HB2 SER 29 HB2 SER 29 19.799 30.362 -0.674 259 HB3 SER 29 HB3 SER 29 19.125 31.854 -1.331 260 HG SER 29 HG SER 29 19.289 31.730 1.022 261 H GLN 30 H GLN 30 18.825 30.609 -3.697 262 HA GLN 30 HA GLN 30 18.735 28.079 -4.863 263 HB2 GLN 30 HB2 GLN 30 20.361 28.946 -6.482 264 HB3 GLN 30 HB3 GLN 30 19.088 30.116 -6.161 265 HG2 GLN 30 HG2 GLN 30 21.019 30.779 -4.321 266 HG3 GLN 30 HG3 GLN 30 21.954 30.312 -5.741 267 HE21 GLN 30 HE21 GLN 30 20.374 31.136 -7.784 268 HE22 GLN 30 HE22 GLN 30 20.204 32.855 -7.752 269 H ASP 31 H ASP 31 20.864 29.356 -2.493 270 HA ASP 31 HA ASP 31 23.088 27.646 -2.975 271 HB2 ASP 31 HB2 ASP 31 22.744 29.850 -1.460 272 HB3 ASP 31 HB3 ASP 31 22.598 28.612 -0.215 273 H ASP 32 H ASP 32 20.368 27.519 -0.693 274 HA ASP 32 HA ASP 32 21.167 24.928 0.297 275 HB2 ASP 32 HB2 ASP 32 19.532 27.014 1.231 276 HB3 ASP 32 HB3 ASP 32 18.452 25.647 0.972 277 H VAL 33 H VAL 33 18.873 26.223 -2.007 278 HA VAL 33 HA VAL 33 17.335 23.859 -2.335 279 HB VAL 33 HB VAL 33 17.740 26.172 -4.236 280 HG11 VAL 33 HG11 VAL 33 15.434 25.303 -5.046 281 HG12 VAL 33 HG12 VAL 33 16.903 24.499 -5.603 282 HG13 VAL 33 HG13 VAL 33 15.941 23.783 -4.310 283 HG21 VAL 33 HG21 VAL 33 16.385 26.011 -1.766 284 HG22 VAL 33 HG22 VAL 33 16.370 27.336 -2.931 285 HG23 VAL 33 HG23 VAL 33 15.154 26.062 -3.028 286 H GLU 34 H GLU 34 20.034 25.257 -4.180 287 HA GLU 34 HA GLU 34 20.152 23.056 -6.011 288 HB2 GLU 34 HB2 GLU 34 20.958 25.535 -6.298 289 HB3 GLU 34 HB3 GLU 34 22.442 24.935 -5.570 290 HG2 GLU 34 HG2 GLU 34 21.844 23.076 -7.537 291 HG3 GLU 34 HG3 GLU 34 21.447 24.632 -8.264 292 H ALA 35 H ALA 35 21.137 23.462 -2.835 293 HA ALA 35 HA ALA 35 23.556 21.939 -2.893 294 HB1 ALA 35 HB1 ALA 35 23.602 23.162 -1.000 295 HB2 ALA 35 HB2 ALA 35 21.847 23.164 -0.829 296 HB3 ALA 35 HB3 ALA 35 22.780 21.757 -0.322 297 H ALA 36 H ALA 36 20.163 21.202 -2.587 298 HA ALA 36 HA ALA 36 20.642 18.476 -1.728 299 HB1 ALA 36 HB1 ALA 36 18.616 18.790 -0.874 300 HB2 ALA 36 HB2 ALA 36 18.390 20.269 -1.810 301 HB3 ALA 36 HB3 ALA 36 17.975 18.707 -2.515 302 HA PRO 37 HA PRO 37 20.693 16.493 -5.642 303 HB2 PRO 37 HB2 PRO 37 19.193 14.273 -5.201 304 HB3 PRO 37 HB3 PRO 37 20.811 14.490 -4.523 305 HG2 PRO 37 HG2 PRO 37 18.145 14.905 -3.228 306 HG3 PRO 37 HG3 PRO 37 19.599 14.132 -2.571 307 HD2 PRO 37 HD2 PRO 37 18.899 16.676 -1.961 308 HD3 PRO 37 HD3 PRO 37 20.591 16.148 -2.058 309 H GLU 38 H GLU 38 19.184 15.371 -7.296 310 HA GLU 38 HA GLU 38 17.268 17.225 -8.152 311 HB2 GLU 38 HB2 GLU 38 18.481 14.914 -9.187 312 HB3 GLU 38 HB3 GLU 38 16.752 14.596 -9.227 313 HG2 GLU 38 HG2 GLU 38 16.330 16.353 -10.676 314 HG3 GLU 38 HG3 GLU 38 17.843 17.168 -10.285 315 H GLU 39 H GLU 39 16.722 13.907 -6.954 316 HA GLU 39 HA GLU 39 13.974 13.940 -6.847 317 HB2 GLU 39 HB2 GLU 39 16.078 12.502 -5.301 318 HB3 GLU 39 HB3 GLU 39 14.420 12.407 -4.726 319 HG2 GLU 39 HG2 GLU 39 13.791 11.667 -7.058 320 HG3 GLU 39 HG3 GLU 39 15.518 11.497 -7.366 321 H THR 40 H THR 40 16.143 14.679 -4.112 322 HA THR 40 HA THR 40 14.194 15.511 -2.316 323 HB THR 40 HB THR 40 17.034 16.527 -2.542 324 HG1 THR 40 HG1 THR 40 15.938 14.428 -0.950 325 HG21 THR 40 HG21 THR 40 15.885 18.019 -1.110 326 HG22 THR 40 HG22 THR 40 16.709 16.881 -0.044 327 HG23 THR 40 HG23 THR 40 14.980 16.712 -0.348 328 H ARG 41 H ARG 41 16.029 17.423 -4.678 329 HA ARG 41 HA ARG 41 15.142 19.956 -4.019 330 HB2 ARG 41 HB2 ARG 41 16.088 18.668 -6.532 331 HB3 ARG 41 HB3 ARG 41 15.326 20.248 -6.661 332 HG2 ARG 41 HG2 ARG 41 16.955 21.216 -5.186 333 HG3 ARG 41 HG3 ARG 41 17.663 19.630 -4.869 334 HD2 ARG 41 HD2 ARG 41 19.039 19.960 -6.582 335 HD3 ARG 41 HD3 ARG 41 17.642 19.926 -7.657 336 HE ARG 41 HE ARG 41 18.123 22.486 -6.428 337 HH11 ARG 41 HH11 ARG 41 18.847 20.402 -9.122 338 HH12 ARG 41 HH12 ARG 41 19.294 21.702 -10.176 339 HH21 ARG 41 HH21 ARG 41 18.710 24.206 -7.806 340 HH22 ARG 41 HH22 ARG 41 19.217 23.866 -9.426 341 H ALA 42 H ALA 42 13.625 17.589 -6.188 342 HA ALA 42 HA ALA 42 11.449 19.206 -6.959 343 HB1 ALA 42 HB1 ALA 42 12.154 16.349 -7.144 344 HB2 ALA 42 HB2 ALA 42 10.433 16.728 -7.227 345 HB3 ALA 42 HB3 ALA 42 11.552 17.456 -8.379 346 H LEU 43 H LEU 43 11.778 16.767 -4.395 347 HA LEU 43 HA LEU 43 9.142 16.858 -3.460 348 HB2 LEU 43 HB2 LEU 43 11.762 16.050 -2.301 349 HB3 LEU 43 HB3 LEU 43 10.380 16.218 -1.220 350 HG LEU 43 HG LEU 43 10.545 14.372 -3.602 351 HD11 LEU 43 HD11 LEU 43 10.392 13.597 -0.707 352 HD12 LEU 43 HD12 LEU 43 11.933 13.842 -1.529 353 HD13 LEU 43 HD13 LEU 43 10.819 12.600 -2.098 354 HD21 LEU 43 HD21 LEU 43 8.438 13.443 -2.550 355 HD22 LEU 43 HD22 LEU 43 8.283 14.999 -3.364 356 HD23 LEU 43 HD23 LEU 43 8.369 14.929 -1.603 357 H TYR 44 H TYR 44 12.017 18.622 -2.320 358 HA TYR 44 HA TYR 44 10.723 20.095 -0.315 359 HB2 TYR 44 HB2 TYR 44 13.223 20.629 -1.915 360 HB3 TYR 44 HB3 TYR 44 12.682 21.696 -0.623 361 HD1 TYR 44 HD2 TYR 44 11.710 18.488 0.289 362 HD2 TYR 44 HD1 TYR 44 15.186 20.922 -0.013 363 HE1 TYR 44 HE2 TYR 44 12.845 17.062 1.941 364 HE2 TYR 44 HE1 TYR 44 16.331 19.503 1.636 365 HH TYR 44 HH TYR 44 15.152 17.753 3.692 366 H ARG 45 H ARG 45 11.612 21.082 -3.625 367 HA ARG 45 HA ARG 45 10.393 23.602 -3.546 368 HB2 ARG 45 HB2 ARG 45 11.247 21.751 -5.733 369 HB3 ARG 45 HB3 ARG 45 10.269 23.154 -6.141 370 HG2 ARG 45 HG2 ARG 45 12.282 24.122 -4.467 371 HG3 ARG 45 HG3 ARG 45 13.076 22.989 -5.562 372 HD2 ARG 45 HD2 ARG 45 13.133 25.131 -6.596 373 HD3 ARG 45 HD3 ARG 45 11.937 24.164 -7.458 374 HE ARG 45 HE ARG 45 10.502 25.510 -5.563 375 HH11 ARG 45 HH11 ARG 45 12.666 26.422 -8.133 376 HH12 ARG 45 HH12 ARG 45 11.892 27.945 -8.420 377 HH21 ARG 45 HH21 ARG 45 9.474 27.513 -5.932 378 HH22 ARG 45 HH22 ARG 45 10.077 28.565 -7.167 379 H GLU 46 H GLU 46 9.067 20.433 -3.972 380 HA GLU 46 HA GLU 46 6.627 21.210 -5.215 381 HB2 GLU 46 HB2 GLU 46 7.394 18.922 -5.382 382 HB3 GLU 46 HB3 GLU 46 7.366 18.744 -3.633 383 HG2 GLU 46 HG2 GLU 46 4.911 19.094 -3.693 384 HG3 GLU 46 HG3 GLU 46 4.998 19.100 -5.453 385 H TYR 47 H TYR 47 7.290 20.122 -1.880 386 HA TYR 47 HA TYR 47 4.753 20.924 -0.901 387 HB2 TYR 47 HB2 TYR 47 6.485 19.230 0.077 388 HB3 TYR 47 HB3 TYR 47 7.155 20.649 0.875 389 HD1 TYR 47 HD1 TYR 47 4.181 18.486 0.600 390 HD2 TYR 47 HD2 TYR 47 6.043 21.663 2.731 391 HE1 TYR 47 HE1 TYR 47 2.500 18.268 2.382 392 HE2 TYR 47 HE2 TYR 47 4.368 21.453 4.520 393 HH TYR 47 HH TYR 47 1.588 19.351 4.196 394 H ARG 48 H ARG 48 7.769 22.564 -1.352 395 HA ARG 48 HA ARG 48 7.240 24.723 0.450 396 HB2 ARG 48 HB2 ARG 48 9.529 24.122 -0.185 397 HB3 ARG 48 HB3 ARG 48 9.180 24.530 -1.860 398 HG2 ARG 48 HG2 ARG 48 9.977 26.549 -1.398 399 HG3 ARG 48 HG3 ARG 48 8.494 26.819 -0.482 400 HD2 ARG 48 HD2 ARG 48 11.170 25.899 0.536 401 HD3 ARG 48 HD3 ARG 48 10.288 27.364 0.965 402 HE ARG 48 HE ARG 48 9.895 24.719 2.039 403 HH11 ARG 48 HH11 ARG 48 8.494 27.865 1.532 404 HH12 ARG 48 HH12 ARG 48 7.360 27.713 2.833 405 HH21 ARG 48 HH21 ARG 48 8.407 24.507 3.755 406 HH22 ARG 48 HH22 ARG 48 7.312 25.803 4.097 407 H THR 49 H THR 49 6.917 24.237 -3.041 408 HA THR 49 HA THR 49 6.011 26.888 -3.575 409 HB THR 49 HB THR 49 5.762 24.369 -5.229 410 HG1 THR 49 HG1 THR 49 7.612 26.536 -5.237 411 HG21 THR 49 HG21 THR 49 5.520 26.119 -7.103 412 HG22 THR 49 HG22 THR 49 5.074 27.233 -5.811 413 HG23 THR 49 HG23 THR 49 4.112 25.783 -6.096 414 H LEU 50 H LEU 50 4.432 23.820 -2.887 415 HA LEU 50 HA LEU 50 1.794 24.738 -3.488 416 HB2 LEU 50 HB2 LEU 50 3.036 22.312 -2.384 417 HB3 LEU 50 HB3 LEU 50 1.400 22.639 -1.818 418 HG LEU 50 HG LEU 50 1.336 22.942 -4.613 419 HD11 LEU 50 HD11 LEU 50 2.043 20.515 -5.148 420 HD12 LEU 50 HD12 LEU 50 3.054 20.665 -3.711 421 HD13 LEU 50 HD13 LEU 50 3.280 21.769 -5.067 422 HD21 LEU 50 HD21 LEU 50 0.448 20.523 -3.065 423 HD22 LEU 50 HD22 LEU 50 -0.277 21.228 -4.510 424 HD23 LEU 50 HD23 LEU 50 -0.387 22.074 -2.965 425 H LYS 51 H LYS 51 3.701 24.393 -0.530 426 HA LYS 51 HA LYS 51 1.606 25.191 1.227 427 HB2 LYS 51 HB2 LYS 51 3.582 23.858 1.936 428 HB3 LYS 51 HB3 LYS 51 4.594 25.274 1.686 429 HG2 LYS 51 HG2 LYS 51 2.655 26.248 3.342 430 HG3 LYS 51 HG3 LYS 51 2.837 24.588 3.913 431 HD2 LYS 51 HD2 LYS 51 5.379 25.105 3.823 432 HD3 LYS 51 HD3 LYS 51 4.861 26.793 3.821 433 HE2 LYS 51 HE2 LYS 51 3.816 24.861 5.860 434 HE3 LYS 51 HE3 LYS 51 5.379 25.647 6.077 435 HZ1 LYS 51 HZ1 LYS 51 3.529 26.837 7.152 436 HZ2 LYS 51 HZ2 LYS 51 2.823 27.091 5.636 437 HZ3 LYS 51 HZ3 LYS 51 4.325 27.782 5.995 438 H ARG 52 H ARG 52 4.285 26.880 -0.342 439 HA ARG 52 HA ARG 52 3.862 29.367 0.957 440 HB2 ARG 52 HB2 ARG 52 5.334 28.548 -1.535 441 HB3 ARG 52 HB3 ARG 52 5.199 30.238 -1.067 442 HG2 ARG 52 HG2 ARG 52 6.253 28.179 0.836 443 HG3 ARG 52 HG3 ARG 52 7.293 28.943 -0.368 444 HD2 ARG 52 HD2 ARG 52 5.687 30.353 1.761 445 HD3 ARG 52 HD3 ARG 52 7.434 30.112 1.761 446 HE ARG 52 HE ARG 52 6.794 31.435 -0.593 447 HH11 ARG 52 HH11 ARG 52 6.618 32.015 2.835 448 HH12 ARG 52 HH12 ARG 52 6.792 33.733 2.686 449 HH21 ARG 52 HH21 ARG 52 7.024 33.695 -0.803 450 HH22 ARG 52 HH22 ARG 52 7.022 34.687 0.616 451 H THR 53 H THR 53 2.942 28.148 -2.255 452 HA THR 53 HA THR 53 1.582 30.471 -3.087 453 HB THR 53 HB THR 53 1.156 27.609 -3.967 454 HG1 THR 53 HG1 THR 53 2.618 29.638 -5.310 455 HG21 THR 53 HG21 THR 53 0.596 29.414 -6.047 456 HG22 THR 53 HG22 THR 53 -0.248 30.028 -4.626 457 HG23 THR 53 HG23 THR 53 -0.543 28.381 -5.185 458 H THR 54 H THR 54 0.309 27.398 -1.801 459 HA THR 54 HA THR 54 -2.381 28.243 -1.690 460 HB THR 54 HB THR 54 -0.995 26.085 -0.086 461 HG1 THR 54 HG1 THR 54 -0.991 25.158 -1.988 462 HG21 THR 54 HG21 THR 54 -2.931 26.172 1.086 463 HG22 THR 54 HG22 THR 54 -3.562 25.279 -0.298 464 HG23 THR 54 HG23 THR 54 -3.791 27.025 -0.196 465 H GLY 55 H GLY 55 -0.053 27.787 0.985 466 HA2 GLY 55 HA2 GLY 55 0.291 29.424 2.692 467 HA3 GLY 55 HA3 GLY 55 -1.310 30.065 2.353 468 H GLN 56 H GLN 56 -1.007 26.646 2.535 469 HA GLN 56 HA GLN 56 -2.623 26.639 4.953 470 HB2 GLN 56 HB2 GLN 56 -3.159 25.235 2.918 471 HB3 GLN 56 HB3 GLN 56 -1.748 24.262 3.313 472 HG2 GLN 56 HG2 GLN 56 -2.798 23.185 4.965 473 HG3 GLN 56 HG3 GLN 56 -3.596 24.647 5.545 474 HE21 GLN 56 HE21 GLN 56 -5.490 25.370 4.379 475 HE22 GLN 56 HE22 GLN 56 -6.505 24.206 3.605 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.407 -3.224 -0.217 2 HA2 GLY 1 HA2 GLY 1 7.729 -2.348 1.627 3 HA3 GLY 1 HA3 GLY 1 9.048 -2.113 0.490 4 H SER 2 H SER 2 5.756 -1.307 -0.329 5 HA SER 2 HA SER 2 6.303 1.241 -1.238 6 HB2 SER 2 HB2 SER 2 4.208 0.016 -1.715 7 HB3 SER 2 HB3 SER 2 3.689 0.277 -0.050 8 HG SER 2 HG SER 2 4.380 2.424 -1.751 9 H MET 3 H MET 3 5.318 0.212 1.996 10 HA MET 3 HA MET 3 4.838 2.662 3.179 11 HB2 MET 3 HB2 MET 3 5.299 1.606 5.294 12 HB3 MET 3 HB3 MET 3 4.492 0.442 4.251 13 HG2 MET 3 HG2 MET 3 6.780 -0.456 3.690 14 HG3 MET 3 HG3 MET 3 7.398 0.553 4.996 15 HE1 MET 3 HE1 MET 3 7.356 -2.628 4.317 16 HE2 MET 3 HE2 MET 3 6.506 -3.597 5.520 17 HE3 MET 3 HE3 MET 3 5.621 -2.902 4.162 18 H GLU 4 H GLU 4 7.901 1.118 2.434 19 HA GLU 4 HA GLU 4 9.619 2.695 3.957 20 HB2 GLU 4 HB2 GLU 4 10.184 0.624 2.593 21 HB3 GLU 4 HB3 GLU 4 10.254 1.680 1.189 22 HG2 GLU 4 HG2 GLU 4 12.188 2.678 1.856 23 HG3 GLU 4 HG3 GLU 4 11.857 2.428 3.569 24 H ARG 5 H ARG 5 8.545 3.177 0.596 25 HA ARG 5 HA ARG 5 9.907 5.566 0.119 26 HB2 ARG 5 HB2 ARG 5 7.231 4.733 -1.015 27 HB3 ARG 5 HB3 ARG 5 8.329 5.921 -1.705 28 HG2 ARG 5 HG2 ARG 5 9.017 3.017 -1.327 29 HG3 ARG 5 HG3 ARG 5 8.372 3.700 -2.821 30 HD2 ARG 5 HD2 ARG 5 10.287 5.063 -3.129 31 HD3 ARG 5 HD3 ARG 5 10.866 4.735 -1.496 32 HE ARG 5 HE ARG 5 11.199 3.074 -3.826 33 HH11 ARG 5 HH11 ARG 5 11.156 3.182 -0.347 34 HH12 ARG 5 HH12 ARG 5 12.133 1.763 -0.161 35 HH21 ARG 5 HH21 ARG 5 12.485 1.205 -3.594 36 HH22 ARG 5 HH22 ARG 5 12.889 0.639 -2.009 37 H LEU 6 H LEU 6 6.594 5.048 1.304 38 HA LEU 6 HA LEU 6 5.867 7.739 1.529 39 HB2 LEU 6 HB2 LEU 6 4.871 5.168 2.468 40 HB3 LEU 6 HB3 LEU 6 4.532 6.485 3.589 41 HG LEU 6 HG LEU 6 3.514 7.710 1.607 42 HD11 LEU 6 HD11 LEU 6 2.920 6.520 -0.327 43 HD12 LEU 6 HD12 LEU 6 3.360 4.970 0.388 44 HD13 LEU 6 HD13 LEU 6 4.616 6.127 -0.050 45 HD21 LEU 6 HD21 LEU 6 2.144 6.753 3.347 46 HD22 LEU 6 HD22 LEU 6 2.267 5.154 2.612 47 HD23 LEU 6 HD23 LEU 6 1.398 6.444 1.779 48 H ARG 7 H ARG 7 7.138 5.534 4.024 49 HA ARG 7 HA ARG 7 7.263 7.393 6.104 50 HB2 ARG 7 HB2 ARG 7 8.978 4.962 5.573 51 HB3 ARG 7 HB3 ARG 7 8.976 5.859 7.086 52 HG2 ARG 7 HG2 ARG 7 6.295 5.273 6.564 53 HG3 ARG 7 HG3 ARG 7 7.192 3.803 6.178 54 HD2 ARG 7 HD2 ARG 7 8.250 3.863 8.374 55 HD3 ARG 7 HD3 ARG 7 7.392 5.354 8.757 56 HE ARG 7 HE ARG 7 5.634 3.209 8.048 57 HH11 ARG 7 HH11 ARG 7 7.481 4.620 10.640 58 HH12 ARG 7 HH12 ARG 7 6.478 3.961 11.889 59 HH21 ARG 7 HH21 ARG 7 4.305 2.336 9.683 60 HH22 ARG 7 HH22 ARG 7 4.672 2.661 11.344 61 H ASP 8 H ASP 8 9.731 6.469 3.723 62 HA ASP 8 HA ASP 8 11.782 8.122 4.698 63 HB2 ASP 8 HB2 ASP 8 11.259 7.095 1.902 64 HB3 ASP 8 HB3 ASP 8 12.750 7.889 2.403 65 H VAL 9 H VAL 9 9.704 8.665 1.846 66 HA VAL 9 HA VAL 9 10.469 11.269 1.309 67 HB VAL 9 HB VAL 9 7.727 10.060 0.922 68 HG11 VAL 9 HG11 VAL 9 8.965 12.621 0.042 69 HG12 VAL 9 HG12 VAL 9 7.847 11.798 -1.048 70 HG13 VAL 9 HG13 VAL 9 7.313 12.285 0.561 71 HG21 VAL 9 HG21 VAL 9 9.458 10.335 -1.403 72 HG22 VAL 9 HG22 VAL 9 10.116 9.249 -0.179 73 HG23 VAL 9 HG23 VAL 9 8.513 8.951 -0.853 74 H ARG 10 H ARG 10 7.589 10.252 3.157 75 HA ARG 10 HA ARG 10 6.713 12.743 3.956 76 HB2 ARG 10 HB2 ARG 10 5.398 10.743 4.338 77 HB3 ARG 10 HB3 ARG 10 6.601 10.127 5.464 78 HG2 ARG 10 HG2 ARG 10 6.026 11.666 7.112 79 HG3 ARG 10 HG3 ARG 10 5.211 12.730 5.965 80 HD2 ARG 10 HD2 ARG 10 3.292 11.753 6.511 81 HD3 ARG 10 HD3 ARG 10 3.896 10.264 5.786 82 HE ARG 10 HE ARG 10 4.759 10.678 8.499 83 HH11 ARG 10 HH11 ARG 10 2.257 9.399 6.444 84 HH12 ARG 10 HH12 ARG 10 1.670 8.283 7.632 85 HH21 ARG 10 HH21 ARG 10 3.996 9.213 10.072 86 HH22 ARG 10 HH22 ARG 10 2.660 8.179 9.696 87 H GLU 11 H GLU 11 9.148 10.671 5.473 88 HA GLU 11 HA GLU 11 9.578 12.309 7.739 89 HB2 GLU 11 HB2 GLU 11 10.255 9.942 7.637 90 HB3 GLU 11 HB3 GLU 11 11.460 10.344 6.422 91 HG2 GLU 11 HG2 GLU 11 12.270 10.062 8.806 92 HG3 GLU 11 HG3 GLU 11 12.784 11.515 7.950 93 H ARG 12 H ARG 12 11.109 12.145 4.559 94 HA ARG 12 HA ARG 12 13.217 13.926 5.044 95 HB2 ARG 12 HB2 ARG 12 11.771 13.011 2.589 96 HB3 ARG 12 HB3 ARG 12 12.915 14.341 2.466 97 HG2 ARG 12 HG2 ARG 12 14.726 13.012 2.931 98 HG3 ARG 12 HG3 ARG 12 13.763 11.826 3.815 99 HD2 ARG 12 HD2 ARG 12 12.939 10.861 1.844 100 HD3 ARG 12 HD3 ARG 12 13.414 12.249 0.865 101 HE ARG 12 HE ARG 12 15.761 11.261 1.862 102 HH11 ARG 12 HH11 ARG 12 13.128 9.972 -0.015 103 HH12 ARG 12 HH12 ARG 12 14.118 8.830 -0.861 104 HH21 ARG 12 HH21 ARG 12 17.075 9.761 0.755 105 HH22 ARG 12 HH22 ARG 12 16.363 8.710 -0.422 106 H LEU 13 H LEU 13 9.946 14.509 3.790 107 HA LEU 13 HA LEU 13 10.255 17.287 3.409 108 HB2 LEU 13 HB2 LEU 13 8.290 15.403 2.923 109 HB3 LEU 13 HB3 LEU 13 7.558 16.471 4.119 110 HG LEU 13 HG LEU 13 8.712 17.360 1.477 111 HD11 LEU 13 HD11 LEU 13 5.808 17.378 2.184 112 HD12 LEU 13 HD12 LEU 13 6.557 15.922 1.530 113 HD13 LEU 13 HD13 LEU 13 6.577 17.418 0.597 114 HD21 LEU 13 HD21 LEU 13 8.140 19.503 2.014 115 HD22 LEU 13 HD22 LEU 13 8.567 18.901 3.616 116 HD23 LEU 13 HD23 LEU 13 6.872 19.005 3.135 117 H GLN 14 H GLN 14 8.771 15.445 6.071 118 HA GLN 14 HA GLN 14 7.994 17.537 7.689 119 HB2 GLN 14 HB2 GLN 14 9.093 14.837 8.485 120 HB3 GLN 14 HB3 GLN 14 8.299 15.945 9.595 121 HG2 GLN 14 HG2 GLN 14 6.857 15.172 7.119 122 HG3 GLN 14 HG3 GLN 14 6.998 13.984 8.414 123 HE21 GLN 14 HE21 GLN 14 6.320 14.727 10.582 124 HE22 GLN 14 HE22 GLN 14 4.957 15.785 10.686 125 H ALA 15 H ALA 15 11.032 15.707 8.102 126 HA ALA 15 HA ALA 15 12.211 17.418 9.945 127 HB1 ALA 15 HB1 ALA 15 13.355 15.494 7.951 128 HB2 ALA 15 HB2 ALA 15 14.397 16.452 9.004 129 HB3 ALA 15 HB3 ALA 15 13.226 15.334 9.703 130 H TRP 16 H TRP 16 12.341 17.479 6.408 131 HA TRP 16 HA TRP 16 14.249 19.429 6.007 132 HB2 TRP 16 HB2 TRP 16 13.364 18.293 4.111 133 HB3 TRP 16 HB3 TRP 16 11.722 18.815 4.478 134 HD1 TRP 16 HD1 TRP 16 10.962 20.534 2.756 135 HE1 TRP 16 HE1 TRP 16 12.039 22.512 1.511 136 HE3 TRP 16 HE3 TRP 16 15.714 20.166 4.605 137 HZ2 TRP 16 HZ2 TRP 16 14.569 23.752 1.335 138 HZ3 TRP 16 HZ3 TRP 16 17.403 21.787 3.847 139 HH2 TRP 16 HH2 TRP 16 16.840 23.542 2.245 140 H GLU 17 H GLU 17 10.802 20.217 5.653 141 HA GLU 17 HA GLU 17 11.045 22.946 5.949 142 HB2 GLU 17 HB2 GLU 17 8.660 22.981 6.468 143 HB3 GLU 17 HB3 GLU 17 8.997 21.844 5.170 144 HG2 GLU 17 HG2 GLU 17 7.548 20.629 6.449 145 HG3 GLU 17 HG3 GLU 17 9.095 20.102 7.110 146 H ARG 18 H ARG 18 10.847 20.472 8.422 147 HA ARG 18 HA ARG 18 10.250 21.994 10.656 148 HB2 ARG 18 HB2 ARG 18 11.561 19.420 10.136 149 HB3 ARG 18 HB3 ARG 18 12.070 20.190 11.633 150 HG2 ARG 18 HG2 ARG 18 9.210 19.642 10.870 151 HG3 ARG 18 HG3 ARG 18 10.190 18.628 11.932 152 HD2 ARG 18 HD2 ARG 18 9.358 19.880 13.590 153 HD3 ARG 18 HD3 ARG 18 10.505 21.104 13.045 154 HE ARG 18 HE ARG 18 8.738 22.365 12.351 155 HH11 ARG 18 HH11 ARG 18 7.697 19.054 12.630 156 HH12 ARG 18 HH12 ARG 18 6.036 19.411 12.292 157 HH21 ARG 18 HH21 ARG 18 6.553 22.848 11.906 158 HH22 ARG 18 HH22 ARG 18 5.386 21.569 11.880 159 H ALA 19 H ALA 19 13.564 20.864 10.045 160 HA ALA 19 HA ALA 19 14.755 22.877 11.616 161 HB1 ALA 19 HB1 ALA 19 15.978 20.885 11.309 162 HB2 ALA 19 HB2 ALA 19 15.869 20.997 9.552 163 HB3 ALA 19 HB3 ALA 19 16.877 22.134 10.446 164 H PHE 20 H PHE 20 14.005 22.674 8.194 165 HA PHE 20 HA PHE 20 15.556 24.693 7.148 166 HB2 PHE 20 HB2 PHE 20 14.297 23.492 5.587 167 HB3 PHE 20 HB3 PHE 20 12.797 23.714 6.483 168 HD1 PHE 20 HD1 PHE 20 15.394 25.981 5.043 169 HD2 PHE 20 HD2 PHE 20 11.267 24.987 5.359 170 HE1 PHE 20 HE1 PHE 20 14.826 27.895 3.604 171 HE2 PHE 20 HE2 PHE 20 10.693 26.898 3.920 172 HZ PHE 20 HZ PHE 20 12.473 28.355 3.040 173 H ARG 21 H ARG 21 12.146 25.169 8.081 174 HA ARG 21 HA ARG 21 12.315 27.980 8.107 175 HB2 ARG 21 HB2 ARG 21 10.111 27.973 8.938 176 HB3 ARG 21 HB3 ARG 21 10.224 26.525 7.947 177 HG2 ARG 21 HG2 ARG 21 9.289 25.525 9.716 178 HG3 ARG 21 HG3 ARG 21 10.929 25.539 10.366 179 HD2 ARG 21 HD2 ARG 21 10.013 26.606 12.112 180 HD3 ARG 21 HD3 ARG 21 10.035 28.019 11.058 181 HE ARG 21 HE ARG 21 7.667 26.448 10.742 182 HH11 ARG 21 HH11 ARG 21 9.197 28.891 12.694 183 HH12 ARG 21 HH12 ARG 21 7.702 29.568 13.250 184 HH21 ARG 21 HH21 ARG 21 5.692 27.331 11.467 185 HH22 ARG 21 HH22 ARG 21 5.709 28.679 12.552 186 H ARG 22 H ARG 22 13.477 25.685 10.291 187 HA ARG 22 HA ARG 22 13.190 27.204 12.701 188 HB2 ARG 22 HB2 ARG 22 13.871 24.590 12.090 189 HB3 ARG 22 HB3 ARG 22 15.380 25.276 12.678 190 HG2 ARG 22 HG2 ARG 22 14.228 26.004 14.725 191 HG3 ARG 22 HG3 ARG 22 12.747 25.247 14.137 192 HD2 ARG 22 HD2 ARG 22 13.783 23.077 14.169 193 HD3 ARG 22 HD3 ARG 22 15.345 23.785 14.575 194 HE ARG 22 HE ARG 22 13.466 24.501 16.538 195 HH11 ARG 22 HH11 ARG 22 15.210 21.723 15.371 196 HH12 ARG 22 HH12 ARG 22 15.217 20.920 16.906 197 HH21 ARG 22 HH21 ARG 22 13.469 23.453 18.564 198 HH22 ARG 22 HH22 ARG 22 14.226 21.904 18.721 199 H GLN 23 H GLN 23 15.785 26.687 10.350 200 HA GLN 23 HA GLN 23 17.473 28.612 11.764 201 HB2 GLN 23 HB2 GLN 23 19.235 27.900 10.191 202 HB3 GLN 23 HB3 GLN 23 18.552 26.547 11.083 203 HG2 GLN 23 HG2 GLN 23 17.111 26.067 9.107 204 HG3 GLN 23 HG3 GLN 23 17.998 27.312 8.229 205 HE21 GLN 23 HE21 GLN 23 18.436 25.470 6.793 206 HE22 GLN 23 HE22 GLN 23 19.795 24.463 7.142 207 H ARG 24 H ARG 24 15.998 28.083 8.585 208 HA ARG 24 HA ARG 24 16.929 30.559 7.503 209 HB2 ARG 24 HB2 ARG 24 14.941 28.488 6.616 210 HB3 ARG 24 HB3 ARG 24 15.084 30.018 5.760 211 HG2 ARG 24 HG2 ARG 24 17.549 28.434 6.267 212 HG3 ARG 24 HG3 ARG 24 16.436 27.902 5.005 213 HD2 ARG 24 HD2 ARG 24 16.707 29.874 3.776 214 HD3 ARG 24 HD3 ARG 24 17.389 30.742 5.151 215 HE ARG 24 HE ARG 24 18.794 29.072 3.289 216 HH11 ARG 24 HH11 ARG 24 18.790 30.356 6.525 217 HH12 ARG 24 HH12 ARG 24 20.505 30.214 6.723 218 HH21 ARG 24 HH21 ARG 24 21.054 28.880 3.538 219 HH22 ARG 24 HH22 ARG 24 21.792 29.375 5.023 220 H GLY 25 H GLY 25 13.831 29.426 8.820 221 HA2 GLY 25 HA2 GLY 25 12.009 30.577 9.607 222 HA3 GLY 25 HA3 GLY 25 13.129 31.887 9.947 223 H ARG 26 H ARG 26 12.523 30.602 6.738 224 HA ARG 26 HA ARG 26 10.510 32.314 5.889 225 HB2 ARG 26 HB2 ARG 26 11.980 33.944 4.564 226 HB3 ARG 26 HB3 ARG 26 11.803 34.230 6.290 227 HG2 ARG 26 HG2 ARG 26 13.976 33.822 6.718 228 HG3 ARG 26 HG3 ARG 26 14.090 32.553 5.496 229 HD2 ARG 26 HD2 ARG 26 13.912 34.460 3.789 230 HD3 ARG 26 HD3 ARG 26 14.274 35.528 5.144 231 HE ARG 26 HE ARG 26 16.224 33.593 5.194 232 HH11 ARG 26 HH11 ARG 26 15.091 35.962 2.907 233 HH12 ARG 26 HH12 ARG 26 16.639 36.169 2.157 234 HH21 ARG 26 HH21 ARG 26 18.267 33.857 4.214 235 HH22 ARG 26 HH22 ARG 26 18.445 34.970 2.901 236 H ARG 27 H ARG 27 10.984 32.849 3.336 237 HA ARG 27 HA ARG 27 10.785 30.455 2.003 238 HB2 ARG 27 HB2 ARG 27 11.029 33.228 1.287 239 HB3 ARG 27 HB3 ARG 27 11.988 32.250 0.184 240 HG2 ARG 27 HG2 ARG 27 10.150 31.735 -0.930 241 HG3 ARG 27 HG3 ARG 27 9.507 30.944 0.511 242 HD2 ARG 27 HD2 ARG 27 7.932 32.597 -0.235 243 HD3 ARG 27 HD3 ARG 27 8.656 33.143 1.277 244 HE ARG 27 HE ARG 27 9.511 34.941 0.161 245 HH11 ARG 27 HH11 ARG 27 8.656 32.487 -2.156 246 HH12 ARG 27 HH12 ARG 27 8.979 33.490 -3.532 247 HH21 ARG 27 HH21 ARG 27 9.939 36.270 -1.642 248 HH22 ARG 27 HH22 ARG 27 9.710 35.641 -3.238 249 HA PRO 28 HA PRO 28 14.805 28.720 1.676 250 HB2 PRO 28 HB2 PRO 28 14.627 27.471 -0.728 251 HB3 PRO 28 HB3 PRO 28 13.799 26.888 0.721 252 HG2 PRO 28 HG2 PRO 28 12.721 28.504 -1.557 253 HG3 PRO 28 HG3 PRO 28 11.985 27.128 -0.714 254 HD2 PRO 28 HD2 PRO 28 11.291 29.694 -0.196 255 HD3 PRO 28 HD3 PRO 28 11.270 28.429 1.050 256 H SER 29 H SER 29 16.675 28.499 0.066 257 HA SER 29 HA SER 29 16.855 30.830 -1.710 258 HB2 SER 29 HB2 SER 29 17.925 31.160 0.634 259 HB3 SER 29 HB3 SER 29 19.179 30.071 0.040 260 HG SER 29 HG SER 29 19.951 31.644 -1.111 261 H GLN 30 H GLN 30 18.551 30.674 -3.314 262 HA GLN 30 HA GLN 30 18.634 28.209 -4.611 263 HB2 GLN 30 HB2 GLN 30 20.462 30.598 -4.881 264 HB3 GLN 30 HB3 GLN 30 20.457 29.231 -5.988 265 HG2 GLN 30 HG2 GLN 30 18.480 29.829 -6.944 266 HG3 GLN 30 HG3 GLN 30 17.886 30.620 -5.486 267 HE21 GLN 30 HE21 GLN 30 17.339 32.553 -6.344 268 HE22 GLN 30 HE22 GLN 30 18.465 33.652 -7.056 269 H ASP 31 H ASP 31 20.529 29.406 -2.017 270 HA ASP 31 HA ASP 31 22.841 27.790 -2.425 271 HB2 ASP 31 HB2 ASP 31 21.995 29.787 -0.579 272 HB3 ASP 31 HB3 ASP 31 22.495 28.375 0.347 273 H ASP 32 H ASP 32 19.974 27.476 -0.350 274 HA ASP 32 HA ASP 32 20.779 24.858 0.562 275 HB2 ASP 32 HB2 ASP 32 19.013 26.854 1.474 276 HB3 ASP 32 HB3 ASP 32 18.009 25.457 1.094 277 H VAL 33 H VAL 33 18.644 26.212 -1.848 278 HA VAL 33 HA VAL 33 17.190 23.826 -2.393 279 HB VAL 33 HB VAL 33 17.641 26.253 -4.135 280 HG11 VAL 33 HG11 VAL 33 16.997 24.425 -5.533 281 HG12 VAL 33 HG12 VAL 33 15.727 23.942 -4.408 282 HG13 VAL 33 HG13 VAL 33 15.583 25.454 -5.305 283 HG21 VAL 33 HG21 VAL 33 16.436 26.394 -1.823 284 HG22 VAL 33 HG22 VAL 33 15.736 27.188 -3.234 285 HG23 VAL 33 HG23 VAL 33 15.101 25.635 -2.692 286 H GLU 34 H GLU 34 19.933 25.417 -4.008 287 HA GLU 34 HA GLU 34 20.250 23.308 -5.920 288 HB2 GLU 34 HB2 GLU 34 20.962 25.832 -6.047 289 HB3 GLU 34 HB3 GLU 34 22.431 25.254 -5.275 290 HG2 GLU 34 HG2 GLU 34 23.181 24.278 -7.141 291 HG3 GLU 34 HG3 GLU 34 21.586 23.673 -7.587 292 H ALA 35 H ALA 35 20.995 23.566 -2.680 293 HA ALA 35 HA ALA 35 23.502 22.189 -2.644 294 HB1 ALA 35 HB1 ALA 35 21.707 23.372 -0.717 295 HB2 ALA 35 HB2 ALA 35 22.306 21.808 -0.162 296 HB3 ALA 35 HB3 ALA 35 23.444 23.080 -0.608 297 H ALA 36 H ALA 36 20.126 21.244 -2.483 298 HA ALA 36 HA ALA 36 20.767 18.483 -1.874 299 HB1 ALA 36 HB1 ALA 36 18.664 18.374 -1.169 300 HB2 ALA 36 HB2 ALA 36 18.520 20.095 -1.525 301 HB3 ALA 36 HB3 ALA 36 18.049 18.902 -2.735 302 HA PRO 37 HA PRO 37 20.918 16.872 -5.952 303 HB2 PRO 37 HB2 PRO 37 19.565 14.531 -5.711 304 HB3 PRO 37 HB3 PRO 37 21.171 14.787 -5.020 305 HG2 PRO 37 HG2 PRO 37 18.493 14.914 -3.688 306 HG3 PRO 37 HG3 PRO 37 19.998 14.179 -3.106 307 HD2 PRO 37 HD2 PRO 37 19.144 16.608 -2.267 308 HD3 PRO 37 HD3 PRO 37 20.865 16.200 -2.414 309 H GLU 38 H GLU 38 19.405 15.687 -7.636 310 HA GLU 38 HA GLU 38 17.445 17.516 -8.424 311 HB2 GLU 38 HB2 GLU 38 18.564 15.068 -9.421 312 HB3 GLU 38 HB3 GLU 38 16.816 15.025 -9.605 313 HG2 GLU 38 HG2 GLU 38 17.604 15.939 -11.598 314 HG3 GLU 38 HG3 GLU 38 17.029 17.323 -10.669 315 H GLU 39 H GLU 39 16.947 14.179 -7.256 316 HA GLU 39 HA GLU 39 14.206 14.186 -7.085 317 HB2 GLU 39 HB2 GLU 39 16.379 12.715 -5.730 318 HB3 GLU 39 HB3 GLU 39 14.828 12.699 -4.903 319 HG2 GLU 39 HG2 GLU 39 13.750 11.768 -6.847 320 HG3 GLU 39 HG3 GLU 39 15.248 11.884 -7.769 321 H THR 40 H THR 40 16.460 15.035 -4.456 322 HA THR 40 HA THR 40 14.550 15.791 -2.573 323 HB THR 40 HB THR 40 17.324 16.949 -2.906 324 HG1 THR 40 HG1 THR 40 16.811 14.501 -2.560 325 HG21 THR 40 HG21 THR 40 15.313 17.007 -0.682 326 HG22 THR 40 HG22 THR 40 16.266 18.330 -1.355 327 HG23 THR 40 HG23 THR 40 17.039 17.113 -0.339 328 H ARG 41 H ARG 41 16.260 17.779 -4.974 329 HA ARG 41 HA ARG 41 15.232 20.261 -4.284 330 HB2 ARG 41 HB2 ARG 41 16.307 19.062 -6.788 331 HB3 ARG 41 HB3 ARG 41 15.455 20.595 -6.919 332 HG2 ARG 41 HG2 ARG 41 16.999 21.678 -5.485 333 HG3 ARG 41 HG3 ARG 41 17.735 20.144 -5.015 334 HD2 ARG 41 HD2 ARG 41 19.208 20.404 -6.657 335 HD3 ARG 41 HD3 ARG 41 17.886 20.257 -7.814 336 HE ARG 41 HE ARG 41 18.195 22.904 -6.735 337 HH11 ARG 41 HH11 ARG 41 19.224 20.677 -9.205 338 HH12 ARG 41 HH12 ARG 41 19.721 21.921 -10.303 339 HH21 ARG 41 HH21 ARG 41 18.846 24.551 -8.172 340 HH22 ARG 41 HH22 ARG 41 19.506 24.125 -9.714 341 H ALA 42 H ALA 42 13.819 17.704 -6.248 342 HA ALA 42 HA ALA 42 11.615 19.205 -7.210 343 HB1 ALA 42 HB1 ALA 42 11.257 16.299 -6.861 344 HB2 ALA 42 HB2 ALA 42 11.010 17.314 -8.283 345 HB3 ALA 42 HB3 ALA 42 12.637 16.799 -7.839 346 H LEU 43 H LEU 43 11.904 16.855 -4.547 347 HA LEU 43 HA LEU 43 9.256 17.074 -3.642 348 HB2 LEU 43 HB2 LEU 43 11.625 16.487 -1.888 349 HB3 LEU 43 HB3 LEU 43 9.963 15.933 -1.692 350 HG LEU 43 HG LEU 43 11.283 15.059 -4.172 351 HD11 LEU 43 HD11 LEU 43 12.642 14.784 -1.655 352 HD12 LEU 43 HD12 LEU 43 13.151 14.280 -3.266 353 HD13 LEU 43 HD13 LEU 43 12.165 13.204 -2.277 354 HD21 LEU 43 HD21 LEU 43 9.995 13.310 -2.125 355 HD22 LEU 43 HD22 LEU 43 9.985 13.180 -3.884 356 HD23 LEU 43 HD23 LEU 43 9.000 14.406 -3.083 357 H TYR 44 H TYR 44 12.207 18.768 -2.635 358 HA TYR 44 HA TYR 44 11.078 20.259 -0.549 359 HB2 TYR 44 HB2 TYR 44 13.464 20.703 -2.328 360 HB3 TYR 44 HB3 TYR 44 13.011 21.878 -1.099 361 HD1 TYR 44 HD2 TYR 44 12.124 18.649 -0.013 362 HD2 TYR 44 HD1 TYR 44 15.474 21.239 -0.434 363 HE1 TYR 44 HE2 TYR 44 13.340 17.343 1.680 364 HE2 TYR 44 HE1 TYR 44 16.699 19.940 1.258 365 HH TYR 44 HH TYR 44 15.209 17.132 2.851 366 H ARG 45 H ARG 45 11.753 21.279 -3.902 367 HA ARG 45 HA ARG 45 10.463 23.770 -3.698 368 HB2 ARG 45 HB2 ARG 45 12.049 22.654 -5.553 369 HB3 ARG 45 HB3 ARG 45 10.492 22.398 -6.331 370 HG2 ARG 45 HG2 ARG 45 10.478 25.055 -5.439 371 HG3 ARG 45 HG3 ARG 45 12.067 24.783 -6.157 372 HD2 ARG 45 HD2 ARG 45 10.535 25.564 -7.852 373 HD3 ARG 45 HD3 ARG 45 10.966 23.884 -8.174 374 HE ARG 45 HE ARG 45 8.683 23.654 -6.759 375 HH11 ARG 45 HH11 ARG 45 9.557 25.529 -9.559 376 HH12 ARG 45 HH12 ARG 45 7.960 25.514 -10.230 377 HH21 ARG 45 HH21 ARG 45 6.575 23.627 -7.632 378 HH22 ARG 45 HH22 ARG 45 6.264 24.432 -9.132 379 H GLU 46 H GLU 46 9.253 20.569 -4.192 380 HA GLU 46 HA GLU 46 6.779 21.237 -5.400 381 HB2 GLU 46 HB2 GLU 46 7.585 18.975 -5.530 382 HB3 GLU 46 HB3 GLU 46 7.638 18.839 -3.778 383 HG2 GLU 46 HG2 GLU 46 5.400 18.511 -3.591 384 HG3 GLU 46 HG3 GLU 46 5.026 19.471 -5.021 385 H TYR 47 H TYR 47 7.431 20.187 -2.051 386 HA TYR 47 HA TYR 47 4.887 20.981 -1.095 387 HB2 TYR 47 HB2 TYR 47 6.548 19.292 -0.074 388 HB3 TYR 47 HB3 TYR 47 7.325 20.697 0.647 389 HD1 TYR 47 HD1 TYR 47 4.230 18.694 0.565 390 HD2 TYR 47 HD2 TYR 47 6.347 21.831 2.509 391 HE1 TYR 47 HE1 TYR 47 2.615 18.627 2.419 392 HE2 TYR 47 HE2 TYR 47 4.739 21.771 4.369 393 HH TYR 47 HH TYR 47 2.133 20.951 4.521 394 H ARG 48 H ARG 48 7.891 22.648 -1.537 395 HA ARG 48 HA ARG 48 7.355 24.809 0.251 396 HB2 ARG 48 HB2 ARG 48 9.637 24.334 -0.353 397 HB3 ARG 48 HB3 ARG 48 9.275 24.527 -2.063 398 HG2 ARG 48 HG2 ARG 48 8.531 26.917 -0.714 399 HG3 ARG 48 HG3 ARG 48 10.167 26.474 -0.221 400 HD2 ARG 48 HD2 ARG 48 9.165 26.800 -3.047 401 HD3 ARG 48 HD3 ARG 48 10.236 27.901 -2.181 402 HE ARG 48 HE ARG 48 11.242 25.214 -2.378 403 HH11 ARG 48 HH11 ARG 48 11.032 28.321 -3.936 404 HH12 ARG 48 HH12 ARG 48 12.457 28.084 -4.891 405 HH21 ARG 48 HH21 ARG 48 13.121 24.890 -3.631 406 HH22 ARG 48 HH22 ARG 48 13.644 26.132 -4.718 407 H THR 49 H THR 49 6.896 24.268 -3.209 408 HA THR 49 HA THR 49 5.962 26.918 -3.742 409 HB THR 49 HB THR 49 5.698 24.386 -5.373 410 HG1 THR 49 HG1 THR 49 7.854 25.158 -5.071 411 HG21 THR 49 HG21 THR 49 4.103 25.629 -6.412 412 HG22 THR 49 HG22 THR 49 5.513 26.358 -7.182 413 HG23 THR 49 HG23 THR 49 4.746 27.156 -5.809 414 H LEU 50 H LEU 50 4.432 23.814 -3.061 415 HA LEU 50 HA LEU 50 1.773 24.707 -3.566 416 HB2 LEU 50 HB2 LEU 50 3.080 22.290 -2.536 417 HB3 LEU 50 HB3 LEU 50 1.475 22.594 -1.873 418 HG LEU 50 HG LEU 50 0.894 22.879 -4.456 419 HD11 LEU 50 HD11 LEU 50 2.827 20.648 -4.717 420 HD12 LEU 50 HD12 LEU 50 3.460 22.292 -4.798 421 HD13 LEU 50 HD13 LEU 50 2.215 21.770 -5.933 422 HD21 LEU 50 HD21 LEU 50 0.016 21.256 -2.693 423 HD22 LEU 50 HD22 LEU 50 1.212 20.119 -3.315 424 HD23 LEU 50 HD23 LEU 50 -0.054 20.737 -4.377 425 H LYS 51 H LYS 51 3.806 24.474 -0.696 426 HA LYS 51 HA LYS 51 1.737 25.205 1.137 427 HB2 LYS 51 HB2 LYS 51 3.727 23.909 1.817 428 HB3 LYS 51 HB3 LYS 51 4.740 25.306 1.479 429 HG2 LYS 51 HG2 LYS 51 3.149 26.496 3.180 430 HG3 LYS 51 HG3 LYS 51 2.827 24.845 3.714 431 HD2 LYS 51 HD2 LYS 51 5.517 24.781 3.584 432 HD3 LYS 51 HD3 LYS 51 5.269 26.486 3.970 433 HE2 LYS 51 HE2 LYS 51 3.854 24.346 5.515 434 HE3 LYS 51 HE3 LYS 51 5.521 24.774 5.897 435 HZ1 LYS 51 HZ1 LYS 51 3.257 26.035 6.797 436 HZ2 LYS 51 HZ2 LYS 51 3.888 27.089 5.634 437 HZ3 LYS 51 HZ3 LYS 51 4.847 26.597 6.938 438 H ARG 52 H ARG 52 4.393 26.936 -0.444 439 HA ARG 52 HA ARG 52 3.929 29.418 0.837 440 HB2 ARG 52 HB2 ARG 52 5.380 28.626 -1.678 441 HB3 ARG 52 HB3 ARG 52 5.231 30.311 -1.196 442 HG2 ARG 52 HG2 ARG 52 6.492 28.127 0.451 443 HG3 ARG 52 HG3 ARG 52 7.360 29.337 -0.495 444 HD2 ARG 52 HD2 ARG 52 7.403 30.426 1.485 445 HD3 ARG 52 HD3 ARG 52 5.802 30.953 0.968 446 HE ARG 52 HE ARG 52 5.274 28.672 2.303 447 HH11 ARG 52 HH11 ARG 52 7.129 31.508 3.103 448 HH12 ARG 52 HH12 ARG 52 6.822 31.388 4.804 449 HH21 ARG 52 HH21 ARG 52 4.862 28.504 4.540 450 HH22 ARG 52 HH22 ARG 52 5.533 29.679 5.621 451 H THR 53 H THR 53 2.839 28.049 -2.239 452 HA THR 53 HA THR 53 1.473 30.391 -3.104 453 HB THR 53 HB THR 53 1.114 27.513 -3.961 454 HG1 THR 53 HG1 THR 53 2.854 29.581 -4.685 455 HG21 THR 53 HG21 THR 53 -0.731 28.288 -4.979 456 HG22 THR 53 HG22 THR 53 0.382 29.110 -6.073 457 HG23 THR 53 HG23 THR 53 -0.291 29.970 -4.689 458 H THR 54 H THR 54 0.271 27.282 -1.830 459 HA THR 54 HA THR 54 -2.423 28.099 -1.639 460 HB THR 54 HB THR 54 -0.990 25.926 -0.098 461 HG1 THR 54 HG1 THR 54 -2.313 26.007 -2.604 462 HG21 THR 54 HG21 THR 54 -2.915 25.934 1.084 463 HG22 THR 54 HG22 THR 54 -3.564 25.108 -0.333 464 HG23 THR 54 HG23 THR 54 -3.786 26.847 -0.147 465 H GLY 55 H GLY 55 -0.078 27.551 1.005 466 HA2 GLY 55 HA2 GLY 55 0.302 29.200 2.716 467 HA3 GLY 55 HA3 GLY 55 -1.330 29.793 2.446 468 H GLN 56 H GLN 56 -0.940 26.387 2.522 469 HA GLN 56 HA GLN 56 -2.305 26.316 5.114 470 HB2 GLN 56 HB2 GLN 56 -2.144 24.416 2.799 471 HB3 GLN 56 HB3 GLN 56 -2.615 23.834 4.390 472 HG2 GLN 56 HG2 GLN 56 -4.067 26.221 3.605 473 HG3 GLN 56 HG3 GLN 56 -4.284 24.886 2.474 474 HE21 GLN 56 HE21 GLN 56 -5.192 26.216 5.435 475 HE22 GLN 56 HE22 GLN 56 -6.140 24.897 6.022 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.425 -3.449 -0.435 2 HA2 GLY 1 HA2 GLY 1 3.109 -2.996 1.277 3 HA3 GLY 1 HA3 GLY 1 4.794 -2.776 1.724 4 H SER 2 H SER 2 5.615 -1.095 -0.356 5 HA SER 2 HA SER 2 5.739 1.110 -0.902 6 HB2 SER 2 HB2 SER 2 2.828 1.527 -0.379 7 HB3 SER 2 HB3 SER 2 3.823 2.105 -1.715 8 HG SER 2 HG SER 2 2.218 0.259 -2.019 9 H MET 3 H MET 3 6.329 0.453 1.731 10 HA MET 3 HA MET 3 5.202 2.700 3.263 11 HB2 MET 3 HB2 MET 3 5.900 1.504 5.278 12 HB3 MET 3 HB3 MET 3 4.846 0.502 4.289 13 HG2 MET 3 HG2 MET 3 7.135 -0.367 3.327 14 HG3 MET 3 HG3 MET 3 7.741 0.212 4.877 15 HE1 MET 3 HE1 MET 3 7.957 -1.314 6.798 16 HE2 MET 3 HE2 MET 3 7.515 -3.015 6.652 17 HE3 MET 3 HE3 MET 3 8.562 -2.269 5.443 18 H GLU 4 H GLU 4 8.190 1.093 2.305 19 HA GLU 4 HA GLU 4 10.006 2.644 3.750 20 HB2 GLU 4 HB2 GLU 4 11.647 1.999 1.985 21 HB3 GLU 4 HB3 GLU 4 10.744 0.643 2.645 22 HG2 GLU 4 HG2 GLU 4 9.179 0.989 0.630 23 HG3 GLU 4 HG3 GLU 4 10.508 1.932 -0.042 24 H ARG 5 H ARG 5 8.613 3.159 0.530 25 HA ARG 5 HA ARG 5 10.075 5.485 -0.095 26 HB2 ARG 5 HB2 ARG 5 8.716 4.033 -1.678 27 HB3 ARG 5 HB3 ARG 5 7.289 4.860 -1.067 28 HG2 ARG 5 HG2 ARG 5 7.903 5.926 -3.087 29 HG3 ARG 5 HG3 ARG 5 8.351 7.016 -1.774 30 HD2 ARG 5 HD2 ARG 5 10.157 6.998 -3.322 31 HD3 ARG 5 HD3 ARG 5 10.670 6.076 -1.910 32 HE ARG 5 HE ARG 5 9.575 4.299 -3.769 33 HH11 ARG 5 HH11 ARG 5 12.329 6.399 -3.417 34 HH12 ARG 5 HH12 ARG 5 13.357 5.436 -4.425 35 HH21 ARG 5 HH21 ARG 5 10.919 3.022 -5.098 36 HH22 ARG 5 HH22 ARG 5 12.554 3.516 -5.382 37 H LEU 6 H LEU 6 6.701 5.170 1.028 38 HA LEU 6 HA LEU 6 6.183 7.879 1.373 39 HB2 LEU 6 HB2 LEU 6 4.425 6.233 1.423 40 HB3 LEU 6 HB3 LEU 6 5.103 5.500 2.875 41 HG LEU 6 HG LEU 6 4.627 7.728 4.022 42 HD11 LEU 6 HD11 LEU 6 2.619 8.876 2.898 43 HD12 LEU 6 HD12 LEU 6 3.196 8.109 1.418 44 HD13 LEU 6 HD13 LEU 6 4.237 9.232 2.293 45 HD21 LEU 6 HD21 LEU 6 3.331 5.635 4.335 46 HD22 LEU 6 HD22 LEU 6 2.256 6.149 3.035 47 HD23 LEU 6 HD23 LEU 6 2.362 7.097 4.519 48 H ARG 7 H ARG 7 7.715 5.567 3.544 49 HA ARG 7 HA ARG 7 7.765 7.197 5.843 50 HB2 ARG 7 HB2 ARG 7 8.175 4.751 5.851 51 HB3 ARG 7 HB3 ARG 7 9.715 5.028 5.049 52 HG2 ARG 7 HG2 ARG 7 10.377 4.829 7.231 53 HG3 ARG 7 HG3 ARG 7 10.177 6.577 7.096 54 HD2 ARG 7 HD2 ARG 7 7.701 5.948 7.844 55 HD3 ARG 7 HD3 ARG 7 8.548 4.578 8.562 56 HE ARG 7 HE ARG 7 9.943 6.859 9.293 57 HH11 ARG 7 HH11 ARG 7 6.767 5.512 9.763 58 HH12 ARG 7 HH12 ARG 7 6.534 6.265 11.306 59 HH21 ARG 7 HH21 ARG 7 9.647 7.856 11.323 60 HH22 ARG 7 HH22 ARG 7 8.172 7.598 12.192 61 H ASP 8 H ASP 8 10.277 6.570 3.394 62 HA ASP 8 HA ASP 8 12.168 8.371 4.439 63 HB2 ASP 8 HB2 ASP 8 11.808 7.398 1.597 64 HB3 ASP 8 HB3 ASP 8 13.239 8.221 2.212 65 H VAL 9 H VAL 9 9.728 8.761 1.889 66 HA VAL 9 HA VAL 9 10.383 11.405 1.193 67 HB VAL 9 HB VAL 9 7.701 10.025 1.011 68 HG11 VAL 9 HG11 VAL 9 6.962 12.059 0.457 69 HG12 VAL 9 HG12 VAL 9 8.596 12.708 0.305 70 HG13 VAL 9 HG13 VAL 9 7.861 11.840 -1.044 71 HG21 VAL 9 HG21 VAL 9 8.421 8.952 -0.813 72 HG22 VAL 9 HG22 VAL 9 9.250 10.379 -1.433 73 HG23 VAL 9 HG23 VAL 9 10.046 9.341 -0.251 74 H ARG 10 H ARG 10 7.650 10.256 3.185 75 HA ARG 10 HA ARG 10 6.739 12.710 4.060 76 HB2 ARG 10 HB2 ARG 10 5.521 10.636 4.458 77 HB3 ARG 10 HB3 ARG 10 6.774 10.088 5.563 78 HG2 ARG 10 HG2 ARG 10 6.217 11.772 7.152 79 HG3 ARG 10 HG3 ARG 10 5.129 12.565 6.011 80 HD2 ARG 10 HD2 ARG 10 3.661 10.625 6.038 81 HD3 ARG 10 HD3 ARG 10 4.766 9.786 7.126 82 HE ARG 10 HE ARG 10 4.161 12.067 8.464 83 HH11 ARG 10 HH11 ARG 10 2.257 9.551 6.993 84 HH12 ARG 10 HH12 ARG 10 0.941 9.715 8.108 85 HH21 ARG 10 HH21 ARG 10 2.435 12.293 9.937 86 HH22 ARG 10 HH22 ARG 10 1.042 11.276 9.781 87 H GLU 11 H GLU 11 9.288 10.681 5.447 88 HA GLU 11 HA GLU 11 9.773 12.315 7.708 89 HB2 GLU 11 HB2 GLU 11 10.481 9.906 7.404 90 HB3 GLU 11 HB3 GLU 11 11.766 10.495 6.358 91 HG2 GLU 11 HG2 GLU 11 11.612 11.800 8.980 92 HG3 GLU 11 HG3 GLU 11 12.009 10.083 9.019 93 H ARG 12 H ARG 12 11.200 12.178 4.476 94 HA ARG 12 HA ARG 12 13.284 14.004 4.891 95 HB2 ARG 12 HB2 ARG 12 11.799 13.011 2.500 96 HB3 ARG 12 HB3 ARG 12 12.846 14.410 2.313 97 HG2 ARG 12 HG2 ARG 12 13.777 11.812 3.502 98 HG3 ARG 12 HG3 ARG 12 13.881 12.186 1.781 99 HD2 ARG 12 HD2 ARG 12 15.380 13.966 2.155 100 HD3 ARG 12 HD3 ARG 12 15.042 13.988 3.885 101 HE ARG 12 HE ARG 12 16.888 12.272 2.498 102 HH11 ARG 12 HH11 ARG 12 14.937 12.684 5.352 103 HH12 ARG 12 HH12 ARG 12 15.903 11.623 6.324 104 HH21 ARG 12 HH21 ARG 12 18.167 10.873 3.767 105 HH22 ARG 12 HH22 ARG 12 17.740 10.594 5.422 106 H LEU 13 H LEU 13 9.955 14.511 3.769 107 HA LEU 13 HA LEU 13 10.192 17.294 3.358 108 HB2 LEU 13 HB2 LEU 13 8.254 15.371 2.947 109 HB3 LEU 13 HB3 LEU 13 7.544 16.413 4.178 110 HG LEU 13 HG LEU 13 8.568 17.347 1.498 111 HD11 LEU 13 HD11 LEU 13 5.696 17.242 2.339 112 HD12 LEU 13 HD12 LEU 13 6.475 15.852 1.583 113 HD13 LEU 13 HD13 LEU 13 6.380 17.386 0.719 114 HD21 LEU 13 HD21 LEU 13 8.053 19.466 2.099 115 HD22 LEU 13 HD22 LEU 13 8.391 18.842 3.714 116 HD23 LEU 13 HD23 LEU 13 6.725 18.965 3.146 117 H GLN 14 H GLN 14 8.832 15.441 6.079 118 HA GLN 14 HA GLN 14 8.088 17.529 7.717 119 HB2 GLN 14 HB2 GLN 14 9.247 14.846 8.482 120 HB3 GLN 14 HB3 GLN 14 8.479 15.949 9.616 121 HG2 GLN 14 HG2 GLN 14 6.943 15.182 7.203 122 HG3 GLN 14 HG3 GLN 14 7.173 13.960 8.453 123 HE21 GLN 14 HE21 GLN 14 6.635 14.685 10.692 124 HE22 GLN 14 HE22 GLN 14 5.241 15.686 10.888 125 H ALA 15 H ALA 15 11.173 15.752 7.981 126 HA ALA 15 HA ALA 15 12.394 17.475 9.793 127 HB1 ALA 15 HB1 ALA 15 13.108 15.136 8.849 128 HB2 ALA 15 HB2 ALA 15 14.049 16.115 7.723 129 HB3 ALA 15 HB3 ALA 15 14.316 16.267 9.459 130 H TRP 16 H TRP 16 12.368 17.547 6.256 131 HA TRP 16 HA TRP 16 14.235 19.525 5.783 132 HB2 TRP 16 HB2 TRP 16 13.307 18.386 3.916 133 HB3 TRP 16 HB3 TRP 16 11.666 18.854 4.353 134 HD1 TRP 16 HD1 TRP 16 10.815 20.482 2.580 135 HE1 TRP 16 HE1 TRP 16 11.764 22.527 1.339 136 HE3 TRP 16 HE3 TRP 16 15.571 20.432 4.454 137 HZ2 TRP 16 HZ2 TRP 16 14.207 23.933 1.175 138 HZ3 TRP 16 HZ3 TRP 16 17.152 22.161 3.704 139 HH2 TRP 16 HH2 TRP 16 16.483 23.874 2.098 140 H GLU 17 H GLU 17 10.764 20.256 5.561 141 HA GLU 17 HA GLU 17 10.987 22.991 5.864 142 HB2 GLU 17 HB2 GLU 17 8.627 23.020 6.353 143 HB3 GLU 17 HB3 GLU 17 8.939 21.789 5.137 144 HG2 GLU 17 HG2 GLU 17 7.529 20.647 6.505 145 HG3 GLU 17 HG3 GLU 17 9.074 20.214 7.233 146 H ARG 18 H ARG 18 10.885 20.491 8.314 147 HA ARG 18 HA ARG 18 10.315 21.985 10.577 148 HB2 ARG 18 HB2 ARG 18 11.740 19.454 10.022 149 HB3 ARG 18 HB3 ARG 18 12.109 20.215 11.563 150 HG2 ARG 18 HG2 ARG 18 9.340 19.528 10.601 151 HG3 ARG 18 HG3 ARG 18 10.302 18.554 11.716 152 HD2 ARG 18 HD2 ARG 18 9.730 19.834 13.445 153 HD3 ARG 18 HD3 ARG 18 10.173 21.305 12.579 154 HE ARG 18 HE ARG 18 7.663 20.243 11.718 155 HH11 ARG 18 HH11 ARG 18 9.224 22.162 14.168 156 HH12 ARG 18 HH12 ARG 18 7.792 23.053 14.567 157 HH21 ARG 18 HH21 ARG 18 5.772 21.408 12.234 158 HH22 ARG 18 HH22 ARG 18 5.829 22.623 13.467 159 H ALA 19 H ALA 19 13.627 20.905 9.866 160 HA ALA 19 HA ALA 19 14.836 22.904 11.439 161 HB1 ALA 19 HB1 ALA 19 15.711 20.740 9.703 162 HB2 ALA 19 HB2 ALA 19 16.788 22.137 9.655 163 HB3 ALA 19 HB3 ALA 19 16.424 21.357 11.194 164 H PHE 20 H PHE 20 14.020 22.748 8.025 165 HA PHE 20 HA PHE 20 15.503 24.822 6.991 166 HB2 PHE 20 HB2 PHE 20 14.209 23.557 5.473 167 HB3 PHE 20 HB3 PHE 20 12.719 23.867 6.357 168 HD1 PHE 20 HD2 PHE 20 15.417 25.854 4.707 169 HD2 PHE 20 HD1 PHE 20 11.247 25.304 5.360 170 HE1 PHE 20 HE2 PHE 20 14.936 27.754 3.220 171 HE2 PHE 20 HE1 PHE 20 10.760 27.202 3.873 172 HZ PHE 20 HZ PHE 20 12.606 28.431 2.802 173 H ARG 21 H ARG 21 12.108 25.191 8.021 174 HA ARG 21 HA ARG 21 12.203 28.007 8.085 175 HB2 ARG 21 HB2 ARG 21 10.088 26.870 7.867 176 HB3 ARG 21 HB3 ARG 21 10.317 26.054 9.407 177 HG2 ARG 21 HG2 ARG 21 9.588 27.812 10.591 178 HG3 ARG 21 HG3 ARG 21 10.406 28.980 9.551 179 HD2 ARG 21 HD2 ARG 21 8.654 28.848 7.921 180 HD3 ARG 21 HD3 ARG 21 7.892 27.510 8.780 181 HE ARG 21 HE ARG 21 7.921 29.525 10.604 182 HH11 ARG 21 HH11 ARG 21 6.752 29.217 7.339 183 HH12 ARG 21 HH12 ARG 21 5.465 30.357 7.554 184 HH21 ARG 21 HH21 ARG 21 6.230 31.027 10.899 185 HH22 ARG 21 HH22 ARG 21 5.170 31.386 9.579 186 H ARG 22 H ARG 22 13.464 25.701 10.208 187 HA ARG 22 HA ARG 22 13.208 27.185 12.643 188 HB2 ARG 22 HB2 ARG 22 13.936 24.590 11.970 189 HB3 ARG 22 HB3 ARG 22 15.428 25.304 12.568 190 HG2 ARG 22 HG2 ARG 22 14.320 24.257 14.396 191 HG3 ARG 22 HG3 ARG 22 14.197 26.004 14.614 192 HD2 ARG 22 HD2 ARG 22 11.952 25.264 13.113 193 HD3 ARG 22 HD3 ARG 22 12.110 24.037 14.369 194 HE ARG 22 HE ARG 22 12.408 26.437 15.663 195 HH11 ARG 22 HH11 ARG 22 9.963 24.948 13.683 196 HH12 ARG 22 HH12 ARG 22 8.650 25.773 14.455 197 HH21 ARG 22 HH21 ARG 22 10.688 27.529 16.688 198 HH22 ARG 22 HH22 ARG 22 9.063 27.242 16.164 199 H GLN 23 H GLN 23 15.742 26.756 10.214 200 HA GLN 23 HA GLN 23 17.446 28.670 11.620 201 HB2 GLN 23 HB2 GLN 23 19.165 28.028 9.972 202 HB3 GLN 23 HB3 GLN 23 18.530 26.640 10.846 203 HG2 GLN 23 HG2 GLN 23 17.034 26.192 8.906 204 HG3 GLN 23 HG3 GLN 23 17.869 27.477 8.035 205 HE21 GLN 23 HE21 GLN 23 17.706 24.259 8.367 206 HE22 GLN 23 HE22 GLN 23 19.318 23.818 7.931 207 H ARG 24 H ARG 24 15.865 28.205 8.483 208 HA ARG 24 HA ARG 24 16.714 30.749 7.467 209 HB2 ARG 24 HB2 ARG 24 14.823 28.620 6.516 210 HB3 ARG 24 HB3 ARG 24 14.874 30.186 5.719 211 HG2 ARG 24 HG2 ARG 24 17.247 28.368 6.078 212 HG3 ARG 24 HG3 ARG 24 16.267 28.478 4.615 213 HD2 ARG 24 HD2 ARG 24 17.839 29.982 4.012 214 HD3 ARG 24 HD3 ARG 24 16.847 31.076 4.975 215 HE ARG 24 HE ARG 24 18.582 30.046 6.782 216 HH11 ARG 24 HH11 ARG 24 18.970 31.598 3.690 217 HH12 ARG 24 HH12 ARG 24 20.511 32.286 4.083 218 HH21 ARG 24 HH21 ARG 24 20.610 30.946 7.311 219 HH22 ARG 24 HH22 ARG 24 21.443 31.914 6.142 220 H GLY 25 H GLY 25 13.494 29.448 8.312 221 HA2 GLY 25 HA2 GLY 25 11.690 30.487 9.304 222 HA3 GLY 25 HA3 GLY 25 12.742 31.844 9.678 223 H ARG 26 H ARG 26 12.218 30.594 6.440 224 HA ARG 26 HA ARG 26 10.127 32.216 5.609 225 HB2 ARG 26 HB2 ARG 26 12.380 33.767 6.171 226 HB3 ARG 26 HB3 ARG 26 12.378 33.607 4.420 227 HG2 ARG 26 HG2 ARG 26 10.687 35.030 4.202 228 HG3 ARG 26 HG3 ARG 26 9.741 34.214 5.448 229 HD2 ARG 26 HD2 ARG 26 10.329 35.695 7.023 230 HD3 ARG 26 HD3 ARG 26 12.012 35.721 6.497 231 HE ARG 26 HE ARG 26 10.583 37.109 4.585 232 HH11 ARG 26 HH11 ARG 26 11.220 37.387 7.996 233 HH12 ARG 26 HH12 ARG 26 11.097 39.115 8.012 234 HH21 ARG 26 HH21 ARG 26 10.417 39.384 4.592 235 HH22 ARG 26 HH22 ARG 26 10.639 40.250 6.075 236 H ARG 27 H ARG 27 10.840 32.936 3.055 237 HA ARG 27 HA ARG 27 10.608 30.608 1.612 238 HB2 ARG 27 HB2 ARG 27 11.102 33.391 1.031 239 HB3 ARG 27 HB3 ARG 27 12.031 32.368 -0.056 240 HG2 ARG 27 HG2 ARG 27 9.552 31.176 -0.049 241 HG3 ARG 27 HG3 ARG 27 9.178 32.900 0.023 242 HD2 ARG 27 HD2 ARG 27 11.059 31.648 -1.973 243 HD3 ARG 27 HD3 ARG 27 9.356 31.981 -2.289 244 HE ARG 27 HE ARG 27 10.491 34.356 -1.421 245 HH11 ARG 27 HH11 ARG 27 10.859 32.142 -4.083 246 HH12 ARG 27 HH12 ARG 27 11.378 33.363 -5.196 247 HH21 ARG 27 HH21 ARG 27 11.174 35.972 -2.878 248 HH22 ARG 27 HH22 ARG 27 11.558 35.541 -4.510 249 HA PRO 28 HA PRO 28 14.534 28.650 1.476 250 HB2 PRO 28 HB2 PRO 28 14.509 27.586 -1.021 251 HB3 PRO 28 HB3 PRO 28 13.517 26.958 0.301 252 HG2 PRO 28 HG2 PRO 28 12.751 28.795 -1.935 253 HG3 PRO 28 HG3 PRO 28 11.861 27.414 -1.267 254 HD2 PRO 28 HD2 PRO 28 11.272 29.976 -0.621 255 HD3 PRO 28 HD3 PRO 28 11.062 28.632 0.519 256 H SER 29 H SER 29 16.352 28.275 -0.405 257 HA SER 29 HA SER 29 16.875 30.704 -1.892 258 HB2 SER 29 HB2 SER 29 18.713 29.842 0.355 259 HB3 SER 29 HB3 SER 29 19.049 31.127 -0.805 260 HG SER 29 HG SER 29 17.821 32.419 0.303 261 H GLN 30 H GLN 30 18.672 30.506 -3.347 262 HA GLN 30 HA GLN 30 18.851 28.037 -4.620 263 HB2 GLN 30 HB2 GLN 30 20.630 29.009 -5.951 264 HB3 GLN 30 HB3 GLN 30 19.362 30.200 -5.696 265 HG2 GLN 30 HG2 GLN 30 21.299 30.426 -3.611 266 HG3 GLN 30 HG3 GLN 30 22.112 30.447 -5.175 267 HE21 GLN 30 HE21 GLN 30 21.242 31.964 -6.786 268 HE22 GLN 30 HE22 GLN 30 20.635 33.485 -6.236 269 H ASP 31 H ASP 31 20.525 29.229 -1.873 270 HA ASP 31 HA ASP 31 22.839 27.574 -2.067 271 HB2 ASP 31 HB2 ASP 31 21.728 29.490 -0.171 272 HB3 ASP 31 HB3 ASP 31 22.492 28.120 0.631 273 H ASP 32 H ASP 32 19.802 27.331 -0.239 274 HA ASP 32 HA ASP 32 20.480 24.715 0.772 275 HB2 ASP 32 HB2 ASP 32 18.678 26.744 1.503 276 HB3 ASP 32 HB3 ASP 32 17.679 25.373 1.028 277 H VAL 33 H VAL 33 18.630 26.056 -1.863 278 HA VAL 33 HA VAL 33 17.189 23.681 -2.502 279 HB VAL 33 HB VAL 33 17.831 26.079 -4.224 280 HG11 VAL 33 HG11 VAL 33 15.570 25.065 -5.271 281 HG12 VAL 33 HG12 VAL 33 17.183 24.664 -5.862 282 HG13 VAL 33 HG13 VAL 33 16.357 23.578 -4.744 283 HG21 VAL 33 HG21 VAL 33 15.085 25.765 -3.368 284 HG22 VAL 33 HG22 VAL 33 16.185 25.887 -1.994 285 HG23 VAL 33 HG23 VAL 33 16.160 27.156 -3.218 286 H GLU 34 H GLU 34 20.111 25.205 -3.837 287 HA GLU 34 HA GLU 34 20.574 23.087 -5.709 288 HB2 GLU 34 HB2 GLU 34 21.359 25.592 -5.755 289 HB3 GLU 34 HB3 GLU 34 22.723 24.978 -4.832 290 HG2 GLU 34 HG2 GLU 34 22.978 23.256 -6.705 291 HG3 GLU 34 HG3 GLU 34 21.898 24.299 -7.629 292 H ALA 35 H ALA 35 21.006 23.352 -2.405 293 HA ALA 35 HA ALA 35 23.447 21.889 -2.123 294 HB1 ALA 35 HB1 ALA 35 23.227 22.826 -0.118 295 HB2 ALA 35 HB2 ALA 35 21.511 23.141 -0.376 296 HB3 ALA 35 HB3 ALA 35 22.037 21.576 0.244 297 H ALA 36 H ALA 36 20.022 21.066 -2.160 298 HA ALA 36 HA ALA 36 20.543 18.283 -1.545 299 HB1 ALA 36 HB1 ALA 36 17.882 18.744 -2.506 300 HB2 ALA 36 HB2 ALA 36 18.422 18.280 -0.892 301 HB3 ALA 36 HB3 ALA 36 18.322 19.985 -1.332 302 HA PRO 37 HA PRO 37 20.808 16.685 -5.622 303 HB2 PRO 37 HB2 PRO 37 19.353 14.398 -5.459 304 HB3 PRO 37 HB3 PRO 37 20.935 14.587 -4.694 305 HG2 PRO 37 HG2 PRO 37 18.207 14.814 -3.483 306 HG3 PRO 37 HG3 PRO 37 19.654 14.016 -2.839 307 HD2 PRO 37 HD2 PRO 37 18.860 16.472 -2.022 308 HD3 PRO 37 HD3 PRO 37 20.569 15.996 -2.095 309 H GLU 38 H GLU 38 19.227 15.430 -7.295 310 HA GLU 38 HA GLU 38 17.396 17.389 -8.177 311 HB2 GLU 38 HB2 GLU 38 18.678 15.438 -9.442 312 HB3 GLU 38 HB3 GLU 38 17.173 14.578 -9.148 313 HG2 GLU 38 HG2 GLU 38 16.145 15.652 -10.788 314 HG3 GLU 38 HG3 GLU 38 16.670 17.221 -10.182 315 H GLU 39 H GLU 39 16.706 14.020 -7.219 316 HA GLU 39 HA GLU 39 13.977 14.140 -7.110 317 HB2 GLU 39 HB2 GLU 39 14.122 12.366 -5.339 318 HB3 GLU 39 HB3 GLU 39 15.078 12.046 -6.780 319 HG2 GLU 39 HG2 GLU 39 16.691 11.560 -5.313 320 HG3 GLU 39 HG3 GLU 39 16.905 13.309 -5.247 321 H THR 40 H THR 40 16.224 14.954 -4.478 322 HA THR 40 HA THR 40 14.270 15.645 -2.580 323 HB THR 40 HB THR 40 17.112 16.648 -2.830 324 HG1 THR 40 HG1 THR 40 17.445 15.003 -1.202 325 HG21 THR 40 HG21 THR 40 16.793 16.967 -0.305 326 HG22 THR 40 HG22 THR 40 15.064 16.902 -0.645 327 HG23 THR 40 HG23 THR 40 16.061 18.160 -1.376 328 H ARG 41 H ARG 41 16.058 17.623 -4.923 329 HA ARG 41 HA ARG 41 15.118 20.128 -4.166 330 HB2 ARG 41 HB2 ARG 41 16.235 18.953 -6.650 331 HB3 ARG 41 HB3 ARG 41 15.370 20.475 -6.820 332 HG2 ARG 41 HG2 ARG 41 16.877 21.620 -5.450 333 HG3 ARG 41 HG3 ARG 41 17.539 20.126 -4.782 334 HD2 ARG 41 HD2 ARG 41 19.153 20.248 -6.306 335 HD3 ARG 41 HD3 ARG 41 17.931 19.939 -7.540 336 HE ARG 41 HE ARG 41 19.205 22.455 -6.942 337 HH11 ARG 41 HH11 ARG 41 16.459 20.883 -8.393 338 HH12 ARG 41 HH12 ARG 41 16.087 22.212 -9.441 339 HH21 ARG 41 HH21 ARG 41 18.726 24.211 -8.316 340 HH22 ARG 41 HH22 ARG 41 17.378 24.104 -9.397 341 H ALA 42 H ALA 42 13.651 17.679 -6.229 342 HA ALA 42 HA ALA 42 11.505 19.288 -7.158 343 HB1 ALA 42 HB1 ALA 42 12.461 16.931 -7.941 344 HB2 ALA 42 HB2 ALA 42 11.131 16.358 -6.933 345 HB3 ALA 42 HB3 ALA 42 10.808 17.444 -8.284 346 H LEU 43 H LEU 43 11.699 16.817 -4.598 347 HA LEU 43 HA LEU 43 9.045 17.061 -3.719 348 HB2 LEU 43 HB2 LEU 43 11.380 16.340 -1.969 349 HB3 LEU 43 HB3 LEU 43 9.702 15.827 -1.805 350 HG LEU 43 HG LEU 43 11.063 15.020 -4.298 351 HD11 LEU 43 HD11 LEU 43 11.659 13.240 -2.045 352 HD12 LEU 43 HD12 LEU 43 12.564 14.753 -2.054 353 HD13 LEU 43 HD13 LEU 43 12.640 13.673 -3.446 354 HD21 LEU 43 HD21 LEU 43 8.758 14.373 -3.738 355 HD22 LEU 43 HD22 LEU 43 9.351 13.544 -2.298 356 HD23 LEU 43 HD23 LEU 43 9.821 12.974 -3.901 357 H TYR 44 H TYR 44 12.020 18.644 -2.610 358 HA TYR 44 HA TYR 44 10.892 20.072 -0.476 359 HB2 TYR 44 HB2 TYR 44 13.327 20.512 -2.187 360 HB3 TYR 44 HB3 TYR 44 12.880 21.661 -0.930 361 HD1 TYR 44 HD2 TYR 44 11.904 18.385 -0.021 362 HD2 TYR 44 HD1 TYR 44 15.280 20.970 -0.179 363 HE1 TYR 44 HE2 TYR 44 13.042 16.991 1.655 364 HE2 TYR 44 HE1 TYR 44 16.428 19.582 1.497 365 HH TYR 44 HH TYR 44 16.338 17.238 2.319 366 H ARG 45 H ARG 45 11.694 21.241 -3.752 367 HA ARG 45 HA ARG 45 10.467 23.748 -3.476 368 HB2 ARG 45 HB2 ARG 45 12.043 22.657 -5.351 369 HB3 ARG 45 HB3 ARG 45 10.492 22.479 -6.160 370 HG2 ARG 45 HG2 ARG 45 10.106 24.904 -5.860 371 HG3 ARG 45 HG3 ARG 45 11.725 25.040 -5.173 372 HD2 ARG 45 HD2 ARG 45 12.036 25.624 -7.403 373 HD3 ARG 45 HD3 ARG 45 12.513 23.927 -7.354 374 HE ARG 45 HE ARG 45 9.810 24.013 -8.000 375 HH11 ARG 45 HH11 ARG 45 12.849 25.024 -9.364 376 HH12 ARG 45 HH12 ARG 45 12.312 24.873 -11.004 377 HH21 ARG 45 HH21 ARG 45 9.091 23.811 -10.155 378 HH22 ARG 45 HH22 ARG 45 10.174 24.184 -11.453 379 H GLU 46 H GLU 46 9.159 20.611 -4.121 380 HA GLU 46 HA GLU 46 6.725 21.417 -5.328 381 HB2 GLU 46 HB2 GLU 46 7.449 19.141 -5.567 382 HB3 GLU 46 HB3 GLU 46 7.496 18.917 -3.824 383 HG2 GLU 46 HG2 GLU 46 5.299 18.507 -3.685 384 HG3 GLU 46 HG3 GLU 46 4.888 19.731 -4.885 385 H TYR 47 H TYR 47 7.275 20.157 -2.034 386 HA TYR 47 HA TYR 47 4.754 20.993 -1.068 387 HB2 TYR 47 HB2 TYR 47 6.379 19.212 -0.118 388 HB3 TYR 47 HB3 TYR 47 7.142 20.566 0.707 389 HD1 TYR 47 HD1 TYR 47 5.990 21.743 2.499 390 HD2 TYR 47 HD2 TYR 47 4.165 18.450 0.517 391 HE1 TYR 47 HE1 TYR 47 4.323 21.589 4.302 392 HE2 TYR 47 HE2 TYR 47 2.493 18.288 2.313 393 HH TYR 47 HH TYR 47 2.280 18.924 4.693 394 H ARG 48 H ARG 48 7.817 22.583 -1.381 395 HA ARG 48 HA ARG 48 7.304 24.675 0.498 396 HB2 ARG 48 HB2 ARG 48 9.584 23.967 -0.262 397 HB3 ARG 48 HB3 ARG 48 9.235 24.693 -1.825 398 HG2 ARG 48 HG2 ARG 48 10.044 26.597 -1.044 399 HG3 ARG 48 HG3 ARG 48 8.663 26.678 0.051 400 HD2 ARG 48 HD2 ARG 48 11.390 25.525 0.585 401 HD3 ARG 48 HD3 ARG 48 10.616 26.893 1.383 402 HE ARG 48 HE ARG 48 10.278 24.122 2.004 403 HH11 ARG 48 HH11 ARG 48 8.727 27.238 2.053 404 HH12 ARG 48 HH12 ARG 48 7.656 26.830 3.353 405 HH21 ARG 48 HH21 ARG 48 8.874 23.572 3.715 406 HH22 ARG 48 HH22 ARG 48 7.741 24.745 4.298 407 H THR 49 H THR 49 7.116 24.421 -3.040 408 HA THR 49 HA THR 49 6.248 27.081 -3.469 409 HB THR 49 HB THR 49 5.919 24.625 -5.201 410 HG1 THR 49 HG1 THR 49 7.717 26.796 -5.546 411 HG21 THR 49 HG21 THR 49 4.902 27.344 -5.490 412 HG22 THR 49 HG22 THR 49 4.490 25.882 -6.386 413 HG23 THR 49 HG23 THR 49 5.900 26.833 -6.851 414 H LEU 50 H LEU 50 4.540 24.040 -2.949 415 HA LEU 50 HA LEU 50 1.946 25.095 -3.486 416 HB2 LEU 50 HB2 LEU 50 3.093 22.569 -2.530 417 HB3 LEU 50 HB3 LEU 50 1.489 22.932 -1.897 418 HG LEU 50 HG LEU 50 1.359 21.510 -3.868 419 HD11 LEU 50 HD11 LEU 50 -0.419 22.584 -4.821 420 HD12 LEU 50 HD12 LEU 50 0.398 24.146 -4.855 421 HD13 LEU 50 HD13 LEU 50 -0.247 23.522 -3.337 422 HD21 LEU 50 HD21 LEU 50 2.294 23.675 -5.663 423 HD22 LEU 50 HD22 LEU 50 2.367 21.924 -5.862 424 HD23 LEU 50 HD23 LEU 50 3.521 22.741 -4.808 425 H LYS 51 H LYS 51 3.845 24.556 -0.555 426 HA LYS 51 HA LYS 51 1.766 25.383 1.225 427 HB2 LYS 51 HB2 LYS 51 3.678 23.868 1.836 428 HB3 LYS 51 HB3 LYS 51 4.735 25.273 1.773 429 HG2 LYS 51 HG2 LYS 51 2.435 25.776 3.440 430 HG3 LYS 51 HG3 LYS 51 3.313 24.339 3.968 431 HD2 LYS 51 HD2 LYS 51 5.373 26.020 3.517 432 HD3 LYS 51 HD3 LYS 51 4.124 27.176 3.986 433 HE2 LYS 51 HE2 LYS 51 3.731 25.918 6.044 434 HE3 LYS 51 HE3 LYS 51 4.964 24.749 5.571 435 HZ1 LYS 51 HZ1 LYS 51 6.643 26.195 6.023 436 HZ2 LYS 51 HZ2 LYS 51 5.514 26.744 7.157 437 HZ3 LYS 51 HZ3 LYS 51 5.719 27.575 5.698 438 H ARG 52 H ARG 52 4.230 26.992 -0.597 439 HA ARG 52 HA ARG 52 4.081 29.437 0.946 440 HB2 ARG 52 HB2 ARG 52 5.582 28.579 -1.509 441 HB3 ARG 52 HB3 ARG 52 5.495 30.278 -1.064 442 HG2 ARG 52 HG2 ARG 52 6.345 28.308 0.995 443 HG3 ARG 52 HG3 ARG 52 7.483 28.762 -0.275 444 HD2 ARG 52 HD2 ARG 52 7.871 30.230 1.548 445 HD3 ARG 52 HD3 ARG 52 7.019 31.161 0.317 446 HE ARG 52 HE ARG 52 5.246 31.383 1.754 447 HH11 ARG 52 HH11 ARG 52 7.393 28.912 2.941 448 HH12 ARG 52 HH12 ARG 52 6.583 28.757 4.464 449 HH21 ARG 52 HH21 ARG 52 4.171 31.187 3.756 450 HH22 ARG 52 HH22 ARG 52 4.750 30.051 4.927 451 H THR 53 H THR 53 2.786 28.132 -2.036 452 HA THR 53 HA THR 53 1.660 30.656 -2.876 453 HB THR 53 HB THR 53 2.420 28.906 -4.502 454 HG1 THR 53 HG1 THR 53 1.115 30.155 -5.617 455 HG21 THR 53 HG21 THR 53 1.426 26.997 -3.174 456 HG22 THR 53 HG22 THR 53 1.116 26.961 -4.910 457 HG23 THR 53 HG23 THR 53 -0.146 27.493 -3.799 458 H THR 54 H THR 54 0.618 27.799 -1.161 459 HA THR 54 HA THR 54 -2.179 28.278 -1.353 460 HB THR 54 HB THR 54 -1.157 26.064 -0.771 461 HG1 THR 54 HG1 THR 54 -3.131 25.753 -0.100 462 HG21 THR 54 HG21 THR 54 0.491 26.989 0.865 463 HG22 THR 54 HG22 THR 54 -0.438 25.621 1.477 464 HG23 THR 54 HG23 THR 54 -0.846 27.260 1.981 465 H GLY 55 H GLY 55 0.342 29.529 0.663 466 HA2 GLY 55 HA2 GLY 55 0.312 31.234 2.207 467 HA3 GLY 55 HA3 GLY 55 -1.360 31.530 1.752 468 H GLN 56 H GLN 56 0.063 28.580 3.100 469 HA GLN 56 HA GLN 56 -1.744 28.884 5.406 470 HB2 GLN 56 HB2 GLN 56 -2.125 26.956 3.767 471 HB3 GLN 56 HB3 GLN 56 -0.638 26.268 4.405 472 HG2 GLN 56 HG2 GLN 56 -1.593 25.648 6.342 473 HG3 GLN 56 HG3 GLN 56 -2.625 27.076 6.415 474 HE21 GLN 56 HE21 GLN 56 -2.390 23.785 5.551 475 HE22 GLN 56 HE22 GLN 56 -4.003 23.583 4.966 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.751 -0.584 -4.291 2 HA2 GLY 1 HA2 GLY 1 8.781 -0.421 -2.226 3 HA3 GLY 1 HA3 GLY 1 9.265 0.222 -3.789 4 H SER 2 H SER 2 6.141 0.368 -2.102 5 HA SER 2 HA SER 2 6.121 3.259 -2.526 6 HB2 SER 2 HB2 SER 2 3.916 1.418 -1.567 7 HB3 SER 2 HB3 SER 2 3.735 3.128 -1.960 8 HG SER 2 HG SER 2 4.694 2.345 -4.099 9 H MET 3 H MET 3 6.114 0.870 0.041 10 HA MET 3 HA MET 3 5.502 2.551 2.199 11 HB2 MET 3 HB2 MET 3 6.098 -0.129 1.875 12 HB3 MET 3 HB3 MET 3 7.448 0.467 2.831 13 HG2 MET 3 HG2 MET 3 6.202 0.691 4.664 14 HG3 MET 3 HG3 MET 3 4.858 1.405 3.777 15 HE1 MET 3 HE1 MET 3 3.937 -0.262 1.778 16 HE2 MET 3 HE2 MET 3 3.142 -1.755 2.278 17 HE3 MET 3 HE3 MET 3 2.620 -0.210 2.951 18 H GLU 4 H GLU 4 8.712 1.416 1.122 19 HA GLU 4 HA GLU 4 10.269 2.927 2.826 20 HB2 GLU 4 HB2 GLU 4 11.995 2.833 0.939 21 HB3 GLU 4 HB3 GLU 4 11.386 1.302 1.552 22 HG2 GLU 4 HG2 GLU 4 9.948 1.040 -0.338 23 HG3 GLU 4 HG3 GLU 4 10.324 2.664 -0.910 24 H ARG 5 H ARG 5 8.898 3.846 -0.303 25 HA ARG 5 HA ARG 5 10.143 6.383 -0.453 26 HB2 ARG 5 HB2 ARG 5 9.049 5.090 -2.346 27 HB3 ARG 5 HB3 ARG 5 7.505 5.636 -1.708 28 HG2 ARG 5 HG2 ARG 5 7.762 7.356 -3.103 29 HG3 ARG 5 HG3 ARG 5 8.884 7.977 -1.891 30 HD2 ARG 5 HD2 ARG 5 10.747 6.935 -3.063 31 HD3 ARG 5 HD3 ARG 5 9.636 6.257 -4.252 32 HE ARG 5 HE ARG 5 10.611 8.963 -4.127 33 HH11 ARG 5 HH11 ARG 5 8.092 6.865 -5.298 34 HH12 ARG 5 HH12 ARG 5 7.631 7.923 -6.590 35 HH21 ARG 5 HH21 ARG 5 10.014 10.365 -5.824 36 HH22 ARG 5 HH22 ARG 5 8.725 9.914 -6.888 37 H LEU 6 H LEU 6 7.095 5.269 0.916 38 HA LEU 6 HA LEU 6 5.951 7.789 1.415 39 HB2 LEU 6 HB2 LEU 6 5.308 5.090 1.893 40 HB3 LEU 6 HB3 LEU 6 5.240 5.904 3.455 41 HG LEU 6 HG LEU 6 3.730 7.614 2.270 42 HD11 LEU 6 HD11 LEU 6 3.899 7.177 0.013 43 HD12 LEU 6 HD12 LEU 6 2.403 6.342 0.431 44 HD13 LEU 6 HD13 LEU 6 3.899 5.428 0.241 45 HD21 LEU 6 HD21 LEU 6 3.232 5.310 3.706 46 HD22 LEU 6 HD22 LEU 6 2.175 5.160 2.302 47 HD23 LEU 6 HD23 LEU 6 2.068 6.583 3.339 48 H ARG 7 H ARG 7 7.653 5.604 3.667 49 HA ARG 7 HA ARG 7 7.752 7.431 5.802 50 HB2 ARG 7 HB2 ARG 7 8.109 4.968 5.991 51 HB3 ARG 7 HB3 ARG 7 9.682 5.176 5.233 52 HG2 ARG 7 HG2 ARG 7 9.952 5.003 7.613 53 HG3 ARG 7 HG3 ARG 7 10.352 6.643 7.098 54 HD2 ARG 7 HD2 ARG 7 8.408 7.536 8.004 55 HD3 ARG 7 HD3 ARG 7 7.588 5.975 8.027 56 HE ARG 7 HE ARG 7 9.884 6.116 9.756 57 HH11 ARG 7 HH11 ARG 7 6.464 6.702 9.468 58 HH12 ARG 7 HH12 ARG 7 6.171 6.597 11.173 59 HH21 ARG 7 HH21 ARG 7 9.510 5.975 12.001 60 HH22 ARG 7 HH22 ARG 7 7.904 6.184 12.613 61 H ASP 8 H ASP 8 9.932 6.830 3.108 62 HA ASP 8 HA ASP 8 12.091 8.398 4.042 63 HB2 ASP 8 HB2 ASP 8 12.442 6.789 2.275 64 HB3 ASP 8 HB3 ASP 8 11.278 7.610 1.239 65 H VAL 9 H VAL 9 9.602 9.145 1.597 66 HA VAL 9 HA VAL 9 10.315 11.845 1.281 67 HB VAL 9 HB VAL 9 7.632 10.532 0.824 68 HG11 VAL 9 HG11 VAL 9 6.928 12.648 0.593 69 HG12 VAL 9 HG12 VAL 9 8.571 13.286 0.501 70 HG13 VAL 9 HG13 VAL 9 7.804 12.609 -0.937 71 HG21 VAL 9 HG21 VAL 9 9.301 11.244 -1.473 72 HG22 VAL 9 HG22 VAL 9 9.990 9.990 -0.442 73 HG23 VAL 9 HG23 VAL 9 8.388 9.771 -1.146 74 H ARG 10 H ARG 10 7.781 10.330 3.264 75 HA ARG 10 HA ARG 10 6.666 12.641 4.335 76 HB2 ARG 10 HB2 ARG 10 5.802 10.280 4.560 77 HB3 ARG 10 HB3 ARG 10 7.003 10.035 5.821 78 HG2 ARG 10 HG2 ARG 10 5.969 11.600 7.250 79 HG3 ARG 10 HG3 ARG 10 4.953 12.225 5.949 80 HD2 ARG 10 HD2 ARG 10 4.752 9.343 6.678 81 HD3 ARG 10 HD3 ARG 10 4.002 10.540 7.732 82 HE ARG 10 HE ARG 10 3.188 11.125 5.150 83 HH11 ARG 10 HH11 ARG 10 2.890 8.498 7.414 84 HH12 ARG 10 HH12 ARG 10 1.358 7.971 6.801 85 HH21 ARG 10 HH21 ARG 10 1.172 10.441 4.333 86 HH22 ARG 10 HH22 ARG 10 0.382 9.076 5.047 87 H GLU 11 H GLU 11 9.300 10.632 5.641 88 HA GLU 11 HA GLU 11 9.780 12.258 7.904 89 HB2 GLU 11 HB2 GLU 11 10.526 9.926 7.775 90 HB3 GLU 11 HB3 GLU 11 11.636 10.344 6.477 91 HG2 GLU 11 HG2 GLU 11 13.180 11.124 7.885 92 HG3 GLU 11 HG3 GLU 11 11.989 11.954 8.884 93 H ARG 12 H ARG 12 11.261 12.130 4.688 94 HA ARG 12 HA ARG 12 13.295 14.001 5.121 95 HB2 ARG 12 HB2 ARG 12 11.851 12.990 2.708 96 HB3 ARG 12 HB3 ARG 12 12.897 14.394 2.540 97 HG2 ARG 12 HG2 ARG 12 14.032 12.057 3.948 98 HG3 ARG 12 HG3 ARG 12 13.750 11.889 2.214 99 HD2 ARG 12 HD2 ARG 12 14.915 14.322 2.286 100 HD3 ARG 12 HD3 ARG 12 15.693 13.558 3.671 101 HE ARG 12 HE ARG 12 16.122 12.960 0.903 102 HH11 ARG 12 HH11 ARG 12 16.210 11.664 4.133 103 HH12 ARG 12 HH12 ARG 12 17.378 10.443 3.751 104 HH21 ARG 12 HH21 ARG 12 17.660 11.356 0.387 105 HH22 ARG 12 HH22 ARG 12 18.203 10.269 1.620 106 H LEU 13 H LEU 13 9.968 14.445 3.970 107 HA LEU 13 HA LEU 13 10.152 17.226 3.535 108 HB2 LEU 13 HB2 LEU 13 8.246 15.264 3.155 109 HB3 LEU 13 HB3 LEU 13 7.523 16.308 4.377 110 HG LEU 13 HG LEU 13 8.516 17.223 1.678 111 HD11 LEU 13 HD11 LEU 13 6.319 17.227 0.920 112 HD12 LEU 13 HD12 LEU 13 5.653 17.091 2.547 113 HD13 LEU 13 HD13 LEU 13 6.444 15.703 1.800 114 HD21 LEU 13 HD21 LEU 13 7.959 19.344 2.248 115 HD22 LEU 13 HD22 LEU 13 8.356 18.753 3.861 116 HD23 LEU 13 HD23 LEU 13 6.672 18.833 3.341 117 H GLN 14 H GLN 14 8.854 15.375 6.287 118 HA GLN 14 HA GLN 14 8.073 17.471 7.903 119 HB2 GLN 14 HB2 GLN 14 9.288 14.821 8.697 120 HB3 GLN 14 HB3 GLN 14 8.498 15.922 9.819 121 HG2 GLN 14 HG2 GLN 14 6.970 15.102 7.421 122 HG3 GLN 14 HG3 GLN 14 7.237 13.889 8.671 123 HE21 GLN 14 HE21 GLN 14 5.264 16.352 7.646 124 HE22 GLN 14 HE22 GLN 14 4.403 16.643 9.115 125 H ALA 15 H ALA 15 11.177 15.738 8.230 126 HA ALA 15 HA ALA 15 12.379 17.505 9.997 127 HB1 ALA 15 HB1 ALA 15 14.210 16.316 8.038 128 HB2 ALA 15 HB2 ALA 15 14.182 16.183 9.797 129 HB3 ALA 15 HB3 ALA 15 13.119 15.171 8.819 130 H TRP 16 H TRP 16 12.356 17.544 6.457 131 HA TRP 16 HA TRP 16 14.176 19.559 5.968 132 HB2 TRP 16 HB2 TRP 16 13.251 18.361 4.122 133 HB3 TRP 16 HB3 TRP 16 11.612 18.853 4.539 134 HD1 TRP 16 HD1 TRP 16 10.769 20.501 2.785 135 HE1 TRP 16 HE1 TRP 16 11.754 22.496 1.492 136 HE3 TRP 16 HE3 TRP 16 15.560 20.332 4.561 137 HZ2 TRP 16 HZ2 TRP 16 14.235 23.822 1.255 138 HZ3 TRP 16 HZ3 TRP 16 17.177 21.999 3.750 139 HH2 TRP 16 HH2 TRP 16 16.527 23.707 2.131 140 H GLU 17 H GLU 17 10.677 20.185 5.795 141 HA GLU 17 HA GLU 17 10.814 22.931 6.030 142 HB2 GLU 17 HB2 GLU 17 8.468 22.885 6.626 143 HB3 GLU 17 HB3 GLU 17 8.783 21.669 5.396 144 HG2 GLU 17 HG2 GLU 17 8.729 19.917 7.035 145 HG3 GLU 17 HG3 GLU 17 8.590 21.092 8.342 146 H ARG 18 H ARG 18 10.907 20.493 8.537 147 HA ARG 18 HA ARG 18 10.357 22.032 10.782 148 HB2 ARG 18 HB2 ARG 18 11.678 19.487 10.224 149 HB3 ARG 18 HB3 ARG 18 12.331 20.299 11.640 150 HG2 ARG 18 HG2 ARG 18 9.417 19.685 11.193 151 HG3 ARG 18 HG3 ARG 18 10.521 18.728 12.184 152 HD2 ARG 18 HD2 ARG 18 10.960 21.029 13.360 153 HD3 ARG 18 HD3 ARG 18 9.390 21.444 12.675 154 HE ARG 18 HE ARG 18 9.379 18.948 14.082 155 HH11 ARG 18 HH11 ARG 18 9.129 22.404 14.421 156 HH12 ARG 18 HH12 ARG 18 8.224 22.324 15.897 157 HH21 ARG 18 HH21 ARG 18 8.188 18.830 16.024 158 HH22 ARG 18 HH22 ARG 18 7.690 20.292 16.808 159 H ALA 19 H ALA 19 13.670 21.020 9.978 160 HA ALA 19 HA ALA 19 14.881 23.087 11.458 161 HB1 ALA 19 HB1 ALA 19 16.943 22.425 10.115 162 HB2 ALA 19 HB2 ALA 19 16.181 21.169 11.091 163 HB3 ALA 19 HB3 ALA 19 15.913 21.216 9.348 164 H PHE 20 H PHE 20 13.823 22.875 8.135 165 HA PHE 20 HA PHE 20 15.253 24.959 6.986 166 HB2 PHE 20 HB2 PHE 20 13.931 23.567 5.574 167 HB3 PHE 20 HB3 PHE 20 12.458 23.949 6.461 168 HD1 PHE 20 HD1 PHE 20 14.978 25.281 4.125 169 HD2 PHE 20 HD2 PHE 20 11.176 25.868 5.946 170 HE1 PHE 20 HE1 PHE 20 14.503 27.102 2.539 171 HE2 PHE 20 HE2 PHE 20 10.695 27.689 4.363 172 HZ PHE 20 HZ PHE 20 12.359 28.308 2.656 173 H ARG 21 H ARG 21 11.856 25.254 8.027 174 HA ARG 21 HA ARG 21 11.894 28.070 8.083 175 HB2 ARG 21 HB2 ARG 21 9.794 26.951 7.856 176 HB3 ARG 21 HB3 ARG 21 10.041 26.053 9.348 177 HG2 ARG 21 HG2 ARG 21 8.429 27.806 9.700 178 HG3 ARG 21 HG3 ARG 21 9.898 28.156 10.613 179 HD2 ARG 21 HD2 ARG 21 9.790 30.183 9.675 180 HD3 ARG 21 HD3 ARG 21 10.386 29.389 8.218 181 HE ARG 21 HE ARG 21 7.715 29.063 8.029 182 HH11 ARG 21 HH11 ARG 21 9.732 31.840 8.611 183 HH12 ARG 21 HH12 ARG 21 8.638 32.955 7.860 184 HH21 ARG 21 HH21 ARG 21 6.267 30.520 7.038 185 HH22 ARG 21 HH22 ARG 21 6.667 32.203 6.966 186 H ARG 22 H ARG 22 13.099 25.758 10.271 187 HA ARG 22 HA ARG 22 12.848 27.321 12.660 188 HB2 ARG 22 HB2 ARG 22 13.023 24.867 12.726 189 HB3 ARG 22 HB3 ARG 22 14.646 24.967 12.054 190 HG2 ARG 22 HG2 ARG 22 15.568 25.662 14.013 191 HG3 ARG 22 HG3 ARG 22 14.094 26.471 14.548 192 HD2 ARG 22 HD2 ARG 22 14.188 24.653 15.969 193 HD3 ARG 22 HD3 ARG 22 13.133 24.063 14.685 194 HE ARG 22 HE ARG 22 15.588 23.273 13.875 195 HH11 ARG 22 HH11 ARG 22 13.827 22.915 16.856 196 HH12 ARG 22 HH12 ARG 22 14.570 21.405 17.267 197 HH21 ARG 22 HH21 ARG 22 16.574 21.285 14.404 198 HH22 ARG 22 HH22 ARG 22 16.134 20.479 15.871 199 H GLN 23 H GLN 23 15.411 26.717 10.299 200 HA GLN 23 HA GLN 23 17.159 28.609 11.681 201 HB2 GLN 23 HB2 GLN 23 17.840 27.059 9.192 202 HB3 GLN 23 HB3 GLN 23 18.938 27.762 10.372 203 HG2 GLN 23 HG2 GLN 23 17.394 25.984 11.838 204 HG3 GLN 23 HG3 GLN 23 17.710 25.152 10.316 205 HE21 GLN 23 HE21 GLN 23 19.537 24.070 10.183 206 HE22 GLN 23 HE22 GLN 23 20.936 24.310 11.167 207 H ARG 24 H ARG 24 16.016 28.021 8.352 208 HA ARG 24 HA ARG 24 16.865 30.509 7.339 209 HB2 ARG 24 HB2 ARG 24 14.783 28.545 6.385 210 HB3 ARG 24 HB3 ARG 24 15.202 30.000 5.490 211 HG2 ARG 24 HG2 ARG 24 17.073 27.748 6.194 212 HG3 ARG 24 HG3 ARG 24 16.375 28.073 4.606 213 HD2 ARG 24 HD2 ARG 24 18.104 29.391 4.159 214 HD3 ARG 24 HD3 ARG 24 17.579 30.468 5.452 215 HE ARG 24 HE ARG 24 19.343 29.735 6.694 216 HH11 ARG 24 HH11 ARG 24 18.672 27.376 4.224 217 HH12 ARG 24 HH12 ARG 24 20.042 26.389 4.612 218 HH21 ARG 24 HH21 ARG 24 21.150 28.444 7.214 219 HH22 ARG 24 HH22 ARG 24 21.450 26.997 6.313 220 H GLY 25 H GLY 25 13.726 29.407 8.580 221 HA2 GLY 25 HA2 GLY 25 11.875 30.573 9.274 222 HA3 GLY 25 HA3 GLY 25 12.999 31.859 9.687 223 H ARG 26 H ARG 26 12.469 30.612 6.442 224 HA ARG 26 HA ARG 26 10.548 32.403 5.542 225 HB2 ARG 26 HB2 ARG 26 12.114 33.984 4.272 226 HB3 ARG 26 HB3 ARG 26 11.903 34.266 5.995 227 HG2 ARG 26 HG2 ARG 26 14.050 33.813 6.465 228 HG3 ARG 26 HG3 ARG 26 14.139 32.499 5.291 229 HD2 ARG 26 HD2 ARG 26 14.585 33.954 3.519 230 HD3 ARG 26 HD3 ARG 26 14.000 35.360 4.408 231 HE ARG 26 HE ARG 26 16.125 34.547 5.870 232 HH11 ARG 26 HH11 ARG 26 15.677 35.258 2.491 233 HH12 ARG 26 HH12 ARG 26 17.307 35.792 2.253 234 HH21 ARG 26 HH21 ARG 26 18.275 35.248 5.569 235 HH22 ARG 26 HH22 ARG 26 18.785 35.785 4.004 236 H ARG 27 H ARG 27 11.118 32.931 3.007 237 HA ARG 27 HA ARG 27 10.878 30.544 1.661 238 HB2 ARG 27 HB2 ARG 27 11.204 33.310 0.964 239 HB3 ARG 27 HB3 ARG 27 12.177 32.320 -0.115 240 HG2 ARG 27 HG2 ARG 27 9.699 31.029 0.085 241 HG3 ARG 27 HG3 ARG 27 9.347 32.748 -0.099 242 HD2 ARG 27 HD2 ARG 27 11.421 31.558 -1.859 243 HD3 ARG 27 HD3 ARG 27 9.737 31.150 -2.183 244 HE ARG 27 HE ARG 27 9.742 33.866 -1.941 245 HH11 ARG 27 HH11 ARG 27 11.472 31.572 -3.906 246 HH12 ARG 27 HH12 ARG 27 11.657 32.658 -5.243 247 HH21 ARG 27 HH21 ARG 27 9.978 35.306 -3.694 248 HH22 ARG 27 HH22 ARG 27 10.807 34.782 -5.121 249 HA PRO 28 HA PRO 28 14.859 28.703 1.435 250 HB2 PRO 28 HB2 PRO 28 14.699 27.448 -0.967 251 HB3 PRO 28 HB3 PRO 28 13.826 26.894 0.466 252 HG2 PRO 28 HG2 PRO 28 12.838 28.526 -1.840 253 HG3 PRO 28 HG3 PRO 28 12.049 27.174 -1.007 254 HD2 PRO 28 HD2 PRO 28 11.411 29.759 -0.515 255 HD3 PRO 28 HD3 PRO 28 11.332 28.501 0.735 256 H SER 29 H SER 29 16.745 28.411 -0.161 257 HA SER 29 HA SER 29 17.023 30.719 -1.949 258 HB2 SER 29 HB2 SER 29 18.550 30.189 0.522 259 HB3 SER 29 HB3 SER 29 19.524 30.612 -0.885 260 HG SER 29 HG SER 29 17.717 32.354 -1.025 261 H GLN 30 H GLN 30 18.732 30.502 -3.517 262 HA GLN 30 HA GLN 30 18.825 28.011 -4.754 263 HB2 GLN 30 HB2 GLN 30 20.047 30.625 -5.149 264 HB3 GLN 30 HB3 GLN 30 21.108 29.313 -5.643 265 HG2 GLN 30 HG2 GLN 30 19.451 28.464 -7.154 266 HG3 GLN 30 HG3 GLN 30 18.265 29.631 -6.571 267 HE21 GLN 30 HE21 GLN 30 17.898 30.754 -8.397 268 HE22 GLN 30 HE22 GLN 30 19.100 31.657 -9.248 269 H ASP 31 H ASP 31 20.684 29.251 -2.149 270 HA ASP 31 HA ASP 31 22.976 27.586 -2.463 271 HB2 ASP 31 HB2 ASP 31 21.862 29.135 -0.125 272 HB3 ASP 31 HB3 ASP 31 23.332 28.172 -0.005 273 H ASP 32 H ASP 32 20.064 27.378 -0.436 274 HA ASP 32 HA ASP 32 20.804 24.782 0.578 275 HB2 ASP 32 HB2 ASP 32 19.057 26.820 1.386 276 HB3 ASP 32 HB3 ASP 32 18.019 25.457 0.977 277 H VAL 33 H VAL 33 18.768 26.071 -1.951 278 HA VAL 33 HA VAL 33 17.310 23.681 -2.463 279 HB VAL 33 HB VAL 33 17.844 26.045 -4.266 280 HG11 VAL 33 HG11 VAL 33 17.193 24.410 -5.759 281 HG12 VAL 33 HG12 VAL 33 16.153 23.602 -4.584 282 HG13 VAL 33 HG13 VAL 33 15.645 25.126 -5.313 283 HG21 VAL 33 HG21 VAL 33 15.210 25.542 -2.998 284 HG22 VAL 33 HG22 VAL 33 16.504 26.164 -1.974 285 HG23 VAL 33 HG23 VAL 33 16.000 27.066 -3.403 286 H GLU 34 H GLU 34 20.164 25.168 -3.969 287 HA GLU 34 HA GLU 34 20.514 23.031 -5.844 288 HB2 GLU 34 HB2 GLU 34 21.305 25.506 -6.000 289 HB3 GLU 34 HB3 GLU 34 22.689 24.947 -5.071 290 HG2 GLU 34 HG2 GLU 34 22.962 23.163 -6.871 291 HG3 GLU 34 HG3 GLU 34 21.836 24.129 -7.823 292 H ALA 35 H ALA 35 21.142 23.346 -2.566 293 HA ALA 35 HA ALA 35 23.566 21.837 -2.408 294 HB1 ALA 35 HB1 ALA 35 22.806 21.617 0.048 295 HB2 ALA 35 HB2 ALA 35 23.224 23.215 -0.570 296 HB3 ALA 35 HB3 ALA 35 21.531 22.747 -0.409 297 H ALA 36 H ALA 36 20.138 21.085 -2.309 298 HA ALA 36 HA ALA 36 20.609 18.314 -1.602 299 HB1 ALA 36 HB1 ALA 36 18.586 18.683 -0.731 300 HB2 ALA 36 HB2 ALA 36 18.308 20.095 -1.751 301 HB3 ALA 36 HB3 ALA 36 17.978 18.479 -2.374 302 HA PRO 37 HA PRO 37 20.766 16.566 -5.623 303 HB2 PRO 37 HB2 PRO 37 19.269 14.318 -5.350 304 HB3 PRO 37 HB3 PRO 37 20.869 14.501 -4.621 305 HG2 PRO 37 HG2 PRO 37 18.169 14.829 -3.370 306 HG3 PRO 37 HG3 PRO 37 19.611 14.024 -2.724 307 HD2 PRO 37 HD2 PRO 37 18.882 16.525 -1.983 308 HD3 PRO 37 HD3 PRO 37 20.580 16.011 -2.069 309 H GLU 38 H GLU 38 19.181 15.352 -7.268 310 HA GLU 38 HA GLU 38 17.336 17.301 -8.138 311 HB2 GLU 38 HB2 GLU 38 18.488 14.925 -9.170 312 HB3 GLU 38 HB3 GLU 38 16.743 14.754 -9.307 313 HG2 GLU 38 HG2 GLU 38 16.729 16.065 -11.082 314 HG3 GLU 38 HG3 GLU 38 17.460 17.372 -10.151 315 H GLU 39 H GLU 39 16.688 13.948 -7.095 316 HA GLU 39 HA GLU 39 13.950 14.054 -6.984 317 HB2 GLU 39 HB2 GLU 39 16.030 12.459 -5.621 318 HB3 GLU 39 HB3 GLU 39 14.455 12.472 -4.840 319 HG2 GLU 39 HG2 GLU 39 13.471 11.279 -6.486 320 HG3 GLU 39 HG3 GLU 39 14.478 11.983 -7.751 321 H THR 40 H THR 40 16.168 14.746 -4.280 322 HA THR 40 HA THR 40 14.252 15.492 -2.405 323 HB THR 40 HB THR 40 17.079 16.527 -2.701 324 HG1 THR 40 HG1 THR 40 15.985 14.425 -1.111 325 HG21 THR 40 HG21 THR 40 15.906 18.033 -1.267 326 HG22 THR 40 HG22 THR 40 16.852 16.962 -0.233 327 HG23 THR 40 HG23 THR 40 15.118 16.704 -0.417 328 H ARG 41 H ARG 41 16.030 17.520 -4.723 329 HA ARG 41 HA ARG 41 15.054 20.001 -3.982 330 HB2 ARG 41 HB2 ARG 41 16.166 18.830 -6.461 331 HB3 ARG 41 HB3 ARG 41 15.243 20.313 -6.660 332 HG2 ARG 41 HG2 ARG 41 16.713 21.541 -5.309 333 HG3 ARG 41 HG3 ARG 41 17.454 20.083 -4.648 334 HD2 ARG 41 HD2 ARG 41 19.032 20.278 -6.202 335 HD3 ARG 41 HD3 ARG 41 17.804 19.887 -7.405 336 HE ARG 41 HE ARG 41 18.951 22.477 -6.865 337 HH11 ARG 41 HH11 ARG 41 16.278 20.732 -8.254 338 HH12 ARG 41 HH12 ARG 41 15.818 22.021 -9.316 339 HH21 ARG 41 HH21 ARG 41 18.356 24.182 -8.258 340 HH22 ARG 41 HH22 ARG 41 17.002 23.983 -9.318 341 H ALA 42 H ALA 42 13.607 17.581 -6.113 342 HA ALA 42 HA ALA 42 11.423 19.147 -6.977 343 HB1 ALA 42 HB1 ALA 42 11.065 16.217 -6.727 344 HB2 ALA 42 HB2 ALA 42 10.727 17.292 -8.085 345 HB3 ALA 42 HB3 ALA 42 12.383 16.787 -7.752 346 H LEU 43 H LEU 43 11.670 16.699 -4.401 347 HA LEU 43 HA LEU 43 9.030 16.907 -3.488 348 HB2 LEU 43 HB2 LEU 43 11.399 16.281 -1.747 349 HB3 LEU 43 HB3 LEU 43 9.736 15.728 -1.558 350 HG LEU 43 HG LEU 43 11.062 14.902 -4.055 351 HD11 LEU 43 HD11 LEU 43 11.897 13.002 -2.169 352 HD12 LEU 43 HD12 LEU 43 12.407 14.571 -1.547 353 HD13 LEU 43 HD13 LEU 43 12.905 14.059 -3.159 354 HD21 LEU 43 HD21 LEU 43 9.448 13.470 -1.948 355 HD22 LEU 43 HD22 LEU 43 9.958 12.785 -3.491 356 HD23 LEU 43 HD23 LEU 43 8.832 14.143 -3.457 357 H TYR 44 H TYR 44 11.979 18.566 -2.414 358 HA TYR 44 HA TYR 44 10.812 20.023 -0.318 359 HB2 TYR 44 HB2 TYR 44 13.254 20.492 -2.018 360 HB3 TYR 44 HB3 TYR 44 12.788 21.608 -0.740 361 HD1 TYR 44 HD1 TYR 44 11.812 18.369 0.193 362 HD2 TYR 44 HD2 TYR 44 15.242 20.871 -0.087 363 HE1 TYR 44 HE1 TYR 44 12.968 16.959 1.843 364 HE2 TYR 44 HE2 TYR 44 16.408 19.467 1.561 365 HH TYR 44 HH TYR 44 15.729 17.891 3.444 366 H ARG 45 H ARG 45 11.653 21.141 -3.603 367 HA ARG 45 HA ARG 45 10.417 23.641 -3.408 368 HB2 ARG 45 HB2 ARG 45 11.981 22.485 -5.257 369 HB3 ARG 45 HB3 ARG 45 10.424 22.292 -6.052 370 HG2 ARG 45 HG2 ARG 45 10.048 24.712 -5.868 371 HG3 ARG 45 HG3 ARG 45 11.637 24.886 -5.121 372 HD2 ARG 45 HD2 ARG 45 12.708 24.717 -7.085 373 HD3 ARG 45 HD3 ARG 45 11.664 23.413 -7.647 374 HE ARG 45 HE ARG 45 10.186 25.776 -7.705 375 HH11 ARG 45 HH11 ARG 45 12.959 24.373 -9.273 376 HH12 ARG 45 HH12 ARG 45 12.722 25.237 -10.755 377 HH21 ARG 45 HH21 ARG 45 9.862 26.920 -9.651 378 HH22 ARG 45 HH22 ARG 45 10.961 26.687 -10.969 379 H GLU 46 H GLU 46 9.097 20.490 -3.947 380 HA GLU 46 HA GLU 46 6.654 21.280 -5.158 381 HB2 GLU 46 HB2 GLU 46 7.391 18.998 -5.362 382 HB3 GLU 46 HB3 GLU 46 7.422 18.801 -3.616 383 HG2 GLU 46 HG2 GLU 46 5.486 17.715 -4.640 384 HG3 GLU 46 HG3 GLU 46 5.018 18.985 -3.511 385 H TYR 47 H TYR 47 7.292 20.134 -1.838 386 HA TYR 47 HA TYR 47 4.762 20.957 -0.858 387 HB2 TYR 47 HB2 TYR 47 6.413 19.204 0.104 388 HB3 TYR 47 HB3 TYR 47 7.175 20.580 0.894 389 HD1 TYR 47 HD1 TYR 47 4.169 18.482 0.744 390 HD2 TYR 47 HD2 TYR 47 6.075 21.739 2.710 391 HE1 TYR 47 HE1 TYR 47 2.518 18.343 2.563 392 HE2 TYR 47 HE2 TYR 47 4.431 21.607 4.534 393 HH TYR 47 HH TYR 47 2.906 19.718 5.506 394 H ARG 48 H ARG 48 7.823 22.547 -1.230 395 HA ARG 48 HA ARG 48 7.313 24.679 0.603 396 HB2 ARG 48 HB2 ARG 48 9.588 23.909 -0.227 397 HB3 ARG 48 HB3 ARG 48 9.220 24.738 -1.733 398 HG2 ARG 48 HG2 ARG 48 9.958 26.633 -0.870 399 HG3 ARG 48 HG3 ARG 48 8.722 26.546 0.388 400 HD2 ARG 48 HD2 ARG 48 11.509 25.405 0.465 401 HD3 ARG 48 HD3 ARG 48 10.856 26.711 1.454 402 HE ARG 48 HE ARG 48 10.545 23.890 1.886 403 HH11 ARG 48 HH11 ARG 48 9.167 27.036 2.457 404 HH12 ARG 48 HH12 ARG 48 8.301 26.543 3.875 405 HH21 ARG 48 HH21 ARG 48 9.410 23.229 3.752 406 HH22 ARG 48 HH22 ARG 48 8.441 24.378 4.611 407 H THR 49 H THR 49 7.080 24.324 -2.920 408 HA THR 49 HA THR 49 6.193 26.984 -3.388 409 HB THR 49 HB THR 49 5.925 24.512 -5.108 410 HG1 THR 49 HG1 THR 49 7.726 26.701 -5.365 411 HG21 THR 49 HG21 THR 49 4.280 26.040 -5.877 412 HG22 THR 49 HG22 THR 49 5.664 26.227 -6.954 413 HG23 THR 49 HG23 THR 49 5.367 27.415 -5.686 414 H LEU 50 H LEU 50 4.554 23.921 -2.817 415 HA LEU 50 HA LEU 50 1.943 24.847 -3.446 416 HB2 LEU 50 HB2 LEU 50 3.153 22.448 -2.256 417 HB3 LEU 50 HB3 LEU 50 1.513 22.800 -1.712 418 HG LEU 50 HG LEU 50 1.640 21.200 -3.611 419 HD11 LEU 50 HD11 LEU 50 -0.147 22.219 -4.894 420 HD12 LEU 50 HD12 LEU 50 0.254 23.804 -4.234 421 HD13 LEU 50 HD13 LEU 50 -0.369 22.540 -3.174 422 HD21 LEU 50 HD21 LEU 50 2.652 23.616 -5.106 423 HD22 LEU 50 HD22 LEU 50 2.132 22.102 -5.848 424 HD23 LEU 50 HD23 LEU 50 3.542 22.127 -4.789 425 H LYS 51 H LYS 51 3.736 24.499 -0.407 426 HA LYS 51 HA LYS 51 1.602 25.440 1.234 427 HB2 LYS 51 HB2 LYS 51 3.129 25.324 3.034 428 HB3 LYS 51 HB3 LYS 51 3.570 24.001 1.962 429 HG2 LYS 51 HG2 LYS 51 5.384 25.369 1.039 430 HG3 LYS 51 HG3 LYS 51 4.952 26.671 2.150 431 HD2 LYS 51 HD2 LYS 51 5.427 24.006 3.346 432 HD3 LYS 51 HD3 LYS 51 6.837 24.845 2.694 433 HE2 LYS 51 HE2 LYS 51 6.663 25.453 4.983 434 HE3 LYS 51 HE3 LYS 51 6.142 26.847 4.040 435 HZ1 LYS 51 HZ1 LYS 51 4.188 24.889 5.074 436 HZ2 LYS 51 HZ2 LYS 51 3.928 26.490 4.594 437 HZ3 LYS 51 HZ3 LYS 51 4.741 26.163 6.041 438 H ARG 52 H ARG 52 4.227 26.950 -0.499 439 HA ARG 52 HA ARG 52 4.112 29.460 0.841 440 HB2 ARG 52 HB2 ARG 52 5.393 28.415 -1.638 441 HB3 ARG 52 HB3 ARG 52 5.222 30.157 -1.472 442 HG2 ARG 52 HG2 ARG 52 6.334 28.743 0.861 443 HG3 ARG 52 HG3 ARG 52 7.341 28.774 -0.588 444 HD2 ARG 52 HD2 ARG 52 7.864 30.670 0.824 445 HD3 ARG 52 HD3 ARG 52 7.109 31.221 -0.671 446 HE ARG 52 HE ARG 52 5.279 30.853 1.527 447 HH11 ARG 52 HH11 ARG 52 7.418 33.055 -0.115 448 HH12 ARG 52 HH12 ARG 52 6.626 34.475 0.483 449 HH21 ARG 52 HH21 ARG 52 4.228 32.715 2.321 450 HH22 ARG 52 HH22 ARG 52 4.812 34.281 1.869 451 H THR 53 H THR 53 2.804 28.286 -2.249 452 HA THR 53 HA THR 53 1.448 30.741 -2.821 453 HB THR 53 HB THR 53 0.290 29.359 -4.600 454 HG1 THR 53 HG1 THR 53 0.718 27.258 -4.738 455 HG21 THR 53 HG21 THR 53 3.178 29.905 -4.360 456 HG22 THR 53 HG22 THR 53 2.028 30.403 -5.601 457 HG23 THR 53 HG23 THR 53 2.719 28.781 -5.638 458 H THR 54 H THR 54 0.256 27.472 -2.025 459 HA THR 54 HA THR 54 -2.428 28.258 -1.665 460 HB THR 54 HB THR 54 -1.199 25.893 -0.267 461 HG1 THR 54 HG1 THR 54 -1.527 24.766 -2.265 462 HG21 THR 54 HG21 THR 54 -3.458 24.931 -1.075 463 HG22 THR 54 HG22 THR 54 -3.912 26.617 -1.324 464 HG23 THR 54 HG23 THR 54 -3.460 26.054 0.284 465 H GLY 55 H GLY 55 0.133 27.566 0.719 466 HA2 GLY 55 HA2 GLY 55 -1.546 28.686 2.834 467 HA3 GLY 55 HA3 GLY 55 -0.029 27.828 3.058 468 H GLN 56 H GLN 56 -0.644 30.552 0.892 469 HA GLN 56 HA GLN 56 1.678 31.930 1.708 470 HB2 GLN 56 HB2 GLN 56 0.957 33.698 0.266 471 HB3 GLN 56 HB3 GLN 56 0.534 32.176 -0.507 472 HG2 GLN 56 HG2 GLN 56 -1.765 32.426 0.136 473 HG3 GLN 56 HG3 GLN 56 -1.383 33.863 1.084 474 HE21 GLN 56 HE21 GLN 56 -3.317 33.835 -0.907 475 HE22 GLN 56 HE22 GLN 56 -2.798 34.850 -2.205 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.597 -1.423 -1.999 2 HA2 GLY 1 HA2 GLY 1 8.514 -1.503 -3.140 3 HA3 GLY 1 HA3 GLY 1 7.904 -2.580 -1.894 4 H SER 2 H SER 2 6.042 -1.319 -1.608 5 HA SER 2 HA SER 2 6.027 1.443 -1.113 6 HB2 SER 2 HB2 SER 2 4.048 -0.577 -0.037 7 HB3 SER 2 HB3 SER 2 3.766 1.140 -0.327 8 HG SER 2 HG SER 2 3.181 0.561 -2.250 9 H MET 3 H MET 3 4.875 2.104 1.156 10 HA MET 3 HA MET 3 5.121 2.438 3.398 11 HB2 MET 3 HB2 MET 3 5.163 -0.163 3.353 12 HB3 MET 3 HB3 MET 3 6.892 0.024 3.609 13 HG2 MET 3 HG2 MET 3 6.434 1.314 5.646 14 HG3 MET 3 HG3 MET 3 4.708 1.067 5.396 15 HE1 MET 3 HE1 MET 3 4.956 0.096 8.114 16 HE2 MET 3 HE2 MET 3 6.116 -1.184 8.473 17 HE3 MET 3 HE3 MET 3 6.683 0.386 7.903 18 H GLU 4 H GLU 4 8.211 0.900 2.494 19 HA GLU 4 HA GLU 4 9.877 2.544 3.947 20 HB2 GLU 4 HB2 GLU 4 10.568 0.462 2.777 21 HB3 GLU 4 HB3 GLU 4 10.505 1.332 1.251 22 HG2 GLU 4 HG2 GLU 4 12.128 2.930 2.760 23 HG3 GLU 4 HG3 GLU 4 12.559 1.315 3.319 24 H ARG 5 H ARG 5 8.745 2.983 0.614 25 HA ARG 5 HA ARG 5 10.199 5.321 0.057 26 HB2 ARG 5 HB2 ARG 5 8.959 3.838 -1.589 27 HB3 ARG 5 HB3 ARG 5 7.485 4.648 -1.074 28 HG2 ARG 5 HG2 ARG 5 9.757 6.339 -1.954 29 HG3 ARG 5 HG3 ARG 5 8.862 5.442 -3.182 30 HD2 ARG 5 HD2 ARG 5 7.665 7.333 -1.160 31 HD3 ARG 5 HD3 ARG 5 7.965 7.702 -2.857 32 HE ARG 5 HE ARG 5 6.381 5.422 -2.778 33 HH11 ARG 5 HH11 ARG 5 6.161 8.773 -1.862 34 HH12 ARG 5 HH12 ARG 5 4.446 8.859 -2.092 35 HH21 ARG 5 HH21 ARG 5 4.122 5.522 -3.085 36 HH22 ARG 5 HH22 ARG 5 3.287 7.008 -2.787 37 H LEU 6 H LEU 6 6.959 4.845 1.408 38 HA LEU 6 HA LEU 6 6.239 7.568 1.513 39 HB2 LEU 6 HB2 LEU 6 4.646 5.702 1.703 40 HB3 LEU 6 HB3 LEU 6 5.323 5.302 3.280 41 HG LEU 6 HG LEU 6 4.624 7.769 3.852 42 HD11 LEU 6 HD11 LEU 6 3.947 8.243 1.500 43 HD12 LEU 6 HD12 LEU 6 2.685 8.543 2.694 44 HD13 LEU 6 HD13 LEU 6 2.629 7.087 1.701 45 HD21 LEU 6 HD21 LEU 6 3.629 5.295 4.411 46 HD22 LEU 6 HD22 LEU 6 2.224 6.096 3.706 47 HD23 LEU 6 HD23 LEU 6 3.035 6.804 5.104 48 H ARG 7 H ARG 7 7.757 5.425 3.894 49 HA ARG 7 HA ARG 7 7.837 7.275 6.013 50 HB2 ARG 7 HB2 ARG 7 8.191 4.821 6.246 51 HB3 ARG 7 HB3 ARG 7 9.760 5.007 5.473 52 HG2 ARG 7 HG2 ARG 7 10.254 4.944 7.741 53 HG3 ARG 7 HG3 ARG 7 10.275 6.666 7.356 54 HD2 ARG 7 HD2 ARG 7 8.861 6.926 9.060 55 HD3 ARG 7 HD3 ARG 7 7.642 6.188 8.022 56 HE ARG 7 HE ARG 7 9.085 4.157 9.309 57 HH11 ARG 7 HH11 ARG 7 6.809 6.690 10.035 58 HH12 ARG 7 HH12 ARG 7 6.124 5.863 11.395 59 HH21 ARG 7 HH21 ARG 7 8.191 3.059 11.097 60 HH22 ARG 7 HH22 ARG 7 6.911 3.798 11.999 61 H ASP 8 H ASP 8 10.250 6.438 3.545 62 HA ASP 8 HA ASP 8 12.269 8.173 4.444 63 HB2 ASP 8 HB2 ASP 8 11.702 7.135 1.659 64 HB3 ASP 8 HB3 ASP 8 13.188 7.949 2.141 65 H VAL 9 H VAL 9 9.851 8.618 1.865 66 HA VAL 9 HA VAL 9 10.563 11.251 1.207 67 HB VAL 9 HB VAL 9 7.876 9.894 0.953 68 HG11 VAL 9 HG11 VAL 9 7.464 12.211 0.787 69 HG12 VAL 9 HG12 VAL 9 8.924 12.481 -0.165 70 HG13 VAL 9 HG13 VAL 9 7.555 11.623 -0.872 71 HG21 VAL 9 HG21 VAL 9 9.965 8.931 -0.211 72 HG22 VAL 9 HG22 VAL 9 8.514 9.199 -1.176 73 HG23 VAL 9 HG23 VAL 9 9.850 10.348 -1.256 74 H ARG 10 H ARG 10 7.820 10.120 3.193 75 HA ARG 10 HA ARG 10 6.885 12.575 4.036 76 HB2 ARG 10 HB2 ARG 10 5.756 10.412 4.454 77 HB3 ARG 10 HB3 ARG 10 6.971 10.031 5.667 78 HG2 ARG 10 HG2 ARG 10 6.180 11.642 7.146 79 HG3 ARG 10 HG3 ARG 10 5.313 12.513 5.879 80 HD2 ARG 10 HD2 ARG 10 3.632 10.862 5.759 81 HD3 ARG 10 HD3 ARG 10 4.590 9.710 6.688 82 HE ARG 10 HE ARG 10 4.062 12.030 8.222 83 HH11 ARG 10 HH11 ARG 10 2.547 9.145 6.997 84 HH12 ARG 10 HH12 ARG 10 1.382 9.057 8.276 85 HH21 ARG 10 HH21 ARG 10 2.533 11.925 9.911 86 HH22 ARG 10 HH22 ARG 10 1.374 10.640 9.932 87 H GLU 11 H GLU 11 9.470 10.601 5.435 88 HA GLU 11 HA GLU 11 9.944 12.257 7.679 89 HB2 GLU 11 HB2 GLU 11 10.712 9.913 7.520 90 HB3 GLU 11 HB3 GLU 11 11.854 10.384 6.270 91 HG2 GLU 11 HG2 GLU 11 12.593 12.094 8.182 92 HG3 GLU 11 HG3 GLU 11 11.958 10.796 9.191 93 H ARG 12 H ARG 12 11.307 12.167 4.423 94 HA ARG 12 HA ARG 12 13.369 14.027 4.805 95 HB2 ARG 12 HB2 ARG 12 11.818 13.095 2.417 96 HB3 ARG 12 HB3 ARG 12 12.941 14.439 2.257 97 HG2 ARG 12 HG2 ARG 12 14.758 13.025 3.064 98 HG3 ARG 12 HG3 ARG 12 13.632 11.677 3.236 99 HD2 ARG 12 HD2 ARG 12 13.127 12.131 0.725 100 HD3 ARG 12 HD3 ARG 12 14.677 12.971 0.751 101 HE ARG 12 HE ARG 12 14.905 10.384 1.892 102 HH11 ARG 12 HH11 ARG 12 14.619 12.043 -1.155 103 HH12 ARG 12 HH12 ARG 12 15.437 10.808 -2.053 104 HH21 ARG 12 HH21 ARG 12 15.983 8.751 0.721 105 HH22 ARG 12 HH22 ARG 12 16.212 8.935 -0.985 106 H LEU 13 H LEU 13 10.019 14.490 3.717 107 HA LEU 13 HA LEU 13 10.199 17.279 3.348 108 HB2 LEU 13 HB2 LEU 13 8.284 15.322 2.953 109 HB3 LEU 13 HB3 LEU 13 7.575 16.358 4.190 110 HG LEU 13 HG LEU 13 8.561 17.300 1.498 111 HD11 LEU 13 HD11 LEU 13 6.504 15.782 1.565 112 HD12 LEU 13 HD12 LEU 13 6.346 17.343 0.759 113 HD13 LEU 13 HD13 LEU 13 5.702 17.121 2.386 114 HD21 LEU 13 HD21 LEU 13 8.000 19.413 2.094 115 HD22 LEU 13 HD22 LEU 13 8.403 18.802 3.698 116 HD23 LEU 13 HD23 LEU 13 6.717 18.887 3.184 117 H GLN 14 H GLN 14 8.958 15.356 6.074 118 HA GLN 14 HA GLN 14 8.169 17.401 7.748 119 HB2 GLN 14 HB2 GLN 14 9.441 14.755 8.460 120 HB3 GLN 14 HB3 GLN 14 8.659 15.818 9.622 121 HG2 GLN 14 HG2 GLN 14 6.978 15.228 7.326 122 HG3 GLN 14 HG3 GLN 14 7.462 13.786 8.218 123 HE21 GLN 14 HE21 GLN 14 6.686 13.446 10.259 124 HE22 GLN 14 HE22 GLN 14 5.450 14.415 10.978 125 H ALA 15 H ALA 15 11.305 15.715 7.997 126 HA ALA 15 HA ALA 15 12.500 17.485 9.773 127 HB1 ALA 15 HB1 ALA 15 14.563 16.462 9.240 128 HB2 ALA 15 HB2 ALA 15 13.333 15.210 9.060 129 HB3 ALA 15 HB3 ALA 15 14.002 16.000 7.632 130 H TRP 16 H TRP 16 12.420 17.548 6.237 131 HA TRP 16 HA TRP 16 14.223 19.576 5.732 132 HB2 TRP 16 HB2 TRP 16 13.283 18.389 3.890 133 HB3 TRP 16 HB3 TRP 16 11.645 18.853 4.340 134 HD1 TRP 16 HD1 TRP 16 10.730 20.546 2.670 135 HE1 TRP 16 HE1 TRP 16 11.670 22.550 1.356 136 HE3 TRP 16 HE3 TRP 16 15.593 20.332 4.232 137 HZ2 TRP 16 HZ2 TRP 16 14.145 23.866 1.026 138 HZ3 TRP 16 HZ3 TRP 16 17.183 22.000 3.370 139 HH2 TRP 16 HH2 TRP 16 16.473 23.729 1.800 140 H GLU 17 H GLU 17 10.729 20.207 5.563 141 HA GLU 17 HA GLU 17 10.896 22.953 5.873 142 HB2 GLU 17 HB2 GLU 17 8.547 22.945 6.270 143 HB3 GLU 17 HB3 GLU 17 8.879 21.626 5.155 144 HG2 GLU 17 HG2 GLU 17 7.551 20.479 6.552 145 HG3 GLU 17 HG3 GLU 17 9.040 20.300 7.480 146 H ARG 18 H ARG 18 10.898 20.432 8.292 147 HA ARG 18 HA ARG 18 10.268 21.885 10.573 148 HB2 ARG 18 HB2 ARG 18 11.791 19.411 9.998 149 HB3 ARG 18 HB3 ARG 18 12.099 20.165 11.557 150 HG2 ARG 18 HG2 ARG 18 9.362 19.429 10.544 151 HG3 ARG 18 HG3 ARG 18 10.345 18.414 11.602 152 HD2 ARG 18 HD2 ARG 18 10.080 21.158 12.553 153 HD3 ARG 18 HD3 ARG 18 8.535 20.319 12.414 154 HE ARG 18 HE ARG 18 10.310 18.609 13.710 155 HH11 ARG 18 HH11 ARG 18 8.758 21.676 14.258 156 HH12 ARG 18 HH12 ARG 18 8.736 21.505 15.982 157 HH21 ARG 18 HH21 ARG 18 10.287 18.371 15.979 158 HH22 ARG 18 HH22 ARG 18 9.607 19.625 16.960 159 H ALA 19 H ALA 19 13.610 20.924 9.823 160 HA ALA 19 HA ALA 19 14.760 22.942 11.423 161 HB1 ALA 19 HB1 ALA 19 16.878 22.327 10.201 162 HB2 ALA 19 HB2 ALA 19 16.042 20.995 11.001 163 HB3 ALA 19 HB3 ALA 19 15.907 21.199 9.255 164 H PHE 20 H PHE 20 13.874 22.814 8.036 165 HA PHE 20 HA PHE 20 15.313 24.947 7.018 166 HB2 PHE 20 HB2 PHE 20 14.025 23.552 5.545 167 HB3 PHE 20 HB3 PHE 20 12.524 23.997 6.350 168 HD1 PHE 20 HD1 PHE 20 15.213 25.203 4.141 169 HD2 PHE 20 HD2 PHE 20 11.365 25.984 5.782 170 HE1 PHE 20 HE1 PHE 20 14.905 27.039 2.533 171 HE2 PHE 20 HE2 PHE 20 11.049 27.821 4.176 172 HZ PHE 20 HZ PHE 20 12.820 28.351 2.549 173 H ARG 21 H ARG 21 11.895 25.164 8.016 174 HA ARG 21 HA ARG 21 11.875 27.980 8.116 175 HB2 ARG 21 HB2 ARG 21 9.689 27.801 8.970 176 HB3 ARG 21 HB3 ARG 21 9.885 26.387 7.944 177 HG2 ARG 21 HG2 ARG 21 10.526 25.146 10.084 178 HG3 ARG 21 HG3 ARG 21 9.856 26.540 10.935 179 HD2 ARG 21 HD2 ARG 21 8.378 24.871 8.904 180 HD3 ARG 21 HD3 ARG 21 8.227 24.702 10.652 181 HE ARG 21 HE ARG 21 7.033 26.722 8.998 182 HH11 ARG 21 HH11 ARG 21 8.138 25.942 12.206 183 HH12 ARG 21 HH12 ARG 21 7.098 27.089 12.984 184 HH21 ARG 21 HH21 ARG 21 5.658 28.235 10.011 185 HH22 ARG 21 HH22 ARG 21 5.687 28.392 11.735 186 H ARG 22 H ARG 22 13.240 25.718 10.208 187 HA ARG 22 HA ARG 22 12.852 27.010 12.700 188 HB2 ARG 22 HB2 ARG 22 13.826 24.605 11.996 189 HB3 ARG 22 HB3 ARG 22 15.341 25.460 12.255 190 HG2 ARG 22 HG2 ARG 22 13.268 25.711 14.354 191 HG3 ARG 22 HG3 ARG 22 14.085 24.155 14.193 192 HD2 ARG 22 HD2 ARG 22 16.155 25.039 14.727 193 HD3 ARG 22 HD3 ARG 22 15.687 26.675 14.266 194 HE ARG 22 HE ARG 22 15.382 25.459 16.833 195 HH11 ARG 22 HH11 ARG 22 14.028 27.809 14.650 196 HH12 ARG 22 HH12 ARG 22 13.300 28.751 15.909 197 HH21 ARG 22 HH21 ARG 22 14.428 26.691 18.499 198 HH22 ARG 22 HH22 ARG 22 13.528 28.114 18.098 199 H GLN 23 H GLN 23 15.661 26.954 10.502 200 HA GLN 23 HA GLN 23 16.765 29.272 11.903 201 HB2 GLN 23 HB2 GLN 23 18.813 28.821 10.632 202 HB3 GLN 23 HB3 GLN 23 18.278 27.395 11.511 203 HG2 GLN 23 HG2 GLN 23 17.066 26.940 9.172 204 HG3 GLN 23 HG3 GLN 23 18.442 27.886 8.608 205 HE21 GLN 23 HE21 GLN 23 20.441 27.121 10.238 206 HE22 GLN 23 HE22 GLN 23 20.771 25.436 10.051 207 H ARG 24 H ARG 24 15.713 28.247 8.688 208 HA ARG 24 HA ARG 24 16.362 30.684 7.383 209 HB2 ARG 24 HB2 ARG 24 14.253 28.697 6.535 210 HB3 ARG 24 HB3 ARG 24 15.131 29.827 5.514 211 HG2 ARG 24 HG2 ARG 24 16.431 27.567 7.014 212 HG3 ARG 24 HG3 ARG 24 15.882 27.459 5.340 213 HD2 ARG 24 HD2 ARG 24 17.597 28.702 4.562 214 HD3 ARG 24 HD3 ARG 24 17.595 29.769 5.966 215 HE ARG 24 HE ARG 24 18.557 27.194 6.659 216 HH11 ARG 24 HH11 ARG 24 19.467 30.127 5.018 217 HH12 ARG 24 HH12 ARG 24 21.161 29.922 5.314 218 HH21 ARG 24 HH21 ARG 24 20.786 26.913 7.056 219 HH22 ARG 24 HH22 ARG 24 21.911 28.093 6.473 220 H GLY 25 H GLY 25 13.217 29.337 8.413 221 HA2 GLY 25 HA2 GLY 25 11.235 30.367 8.941 222 HA3 GLY 25 HA3 GLY 25 12.228 31.693 9.527 223 H ARG 26 H ARG 26 11.917 30.474 6.217 224 HA ARG 26 HA ARG 26 10.092 32.316 5.233 225 HB2 ARG 26 HB2 ARG 26 12.560 33.549 5.884 226 HB3 ARG 26 HB3 ARG 26 12.470 33.471 4.129 227 HG2 ARG 26 HG2 ARG 26 10.691 34.893 4.016 228 HG3 ARG 26 HG3 ARG 26 10.084 34.437 5.609 229 HD2 ARG 26 HD2 ARG 26 10.912 36.454 6.192 230 HD3 ARG 26 HD3 ARG 26 12.424 35.556 6.310 231 HE ARG 26 HE ARG 26 12.245 36.418 3.695 232 HH11 ARG 26 HH11 ARG 26 12.369 37.874 6.855 233 HH12 ARG 26 HH12 ARG 26 13.151 39.318 6.303 234 HH21 ARG 26 HH21 ARG 26 13.275 38.314 2.956 235 HH22 ARG 26 HH22 ARG 26 13.665 39.568 4.084 236 H ARG 27 H ARG 27 10.910 32.877 2.729 237 HA ARG 27 HA ARG 27 10.622 30.509 1.343 238 HB2 ARG 27 HB2 ARG 27 11.249 33.269 0.692 239 HB3 ARG 27 HB3 ARG 27 12.068 32.148 -0.387 240 HG2 ARG 27 HG2 ARG 27 10.126 32.395 -1.528 241 HG3 ARG 27 HG3 ARG 27 9.658 31.055 -0.479 242 HD2 ARG 27 HD2 ARG 27 8.238 32.329 0.738 243 HD3 ARG 27 HD3 ARG 27 9.253 33.765 0.615 244 HE ARG 27 HE ARG 27 7.085 33.024 -1.113 245 HH11 ARG 27 HH11 ARG 27 10.065 34.810 -0.884 246 HH12 ARG 27 HH12 ARG 27 9.658 35.907 -2.161 247 HH21 ARG 27 HH21 ARG 27 6.538 34.462 -2.797 248 HH22 ARG 27 HH22 ARG 27 7.651 35.709 -3.248 249 HA PRO 28 HA PRO 28 14.507 28.473 1.225 250 HB2 PRO 28 HB2 PRO 28 14.573 27.515 -1.314 251 HB3 PRO 28 HB3 PRO 28 13.507 26.858 -0.067 252 HG2 PRO 28 HG2 PRO 28 12.888 28.805 -2.254 253 HG3 PRO 28 HG3 PRO 28 11.937 27.420 -1.688 254 HD2 PRO 28 HD2 PRO 28 11.377 29.967 -0.959 255 HD3 PRO 28 HD3 PRO 28 11.084 28.581 0.111 256 H SER 29 H SER 29 16.473 28.170 -0.411 257 HA SER 29 HA SER 29 17.100 30.632 -1.830 258 HB2 SER 29 HB2 SER 29 18.055 30.102 0.829 259 HB3 SER 29 HB3 SER 29 19.415 30.101 -0.294 260 HG SER 29 HG SER 29 19.177 32.175 -0.576 261 H GLN 30 H GLN 30 18.916 30.448 -3.233 262 HA GLN 30 HA GLN 30 19.136 28.037 -4.584 263 HB2 GLN 30 HB2 GLN 30 20.972 30.426 -4.488 264 HB3 GLN 30 HB3 GLN 30 21.255 29.060 -5.558 265 HG2 GLN 30 HG2 GLN 30 19.021 29.443 -6.558 266 HG3 GLN 30 HG3 GLN 30 18.865 30.886 -5.557 267 HE21 GLN 30 HE21 GLN 30 20.870 32.360 -5.739 268 HE22 GLN 30 HE22 GLN 30 21.406 32.678 -7.350 269 H ASP 31 H ASP 31 20.744 29.113 -1.731 270 HA ASP 31 HA ASP 31 22.988 27.362 -1.874 271 HB2 ASP 31 HB2 ASP 31 21.868 29.266 0.046 272 HB3 ASP 31 HB3 ASP 31 22.611 27.865 0.812 273 H ASP 32 H ASP 32 19.807 27.177 -0.338 274 HA ASP 32 HA ASP 32 20.339 24.576 0.792 275 HB2 ASP 32 HB2 ASP 32 18.374 26.630 1.135 276 HB3 ASP 32 HB3 ASP 32 17.552 25.112 0.786 277 H VAL 33 H VAL 33 18.602 25.894 -1.973 278 HA VAL 33 HA VAL 33 17.342 23.480 -2.757 279 HB VAL 33 HB VAL 33 18.070 25.889 -4.430 280 HG11 VAL 33 HG11 VAL 33 16.227 23.569 -4.987 281 HG12 VAL 33 HG12 VAL 33 16.267 25.058 -5.934 282 HG13 VAL 33 HG13 VAL 33 17.687 24.012 -5.873 283 HG21 VAL 33 HG21 VAL 33 16.527 26.881 -3.146 284 HG22 VAL 33 HG22 VAL 33 15.357 25.918 -4.049 285 HG23 VAL 33 HG23 VAL 33 15.952 25.348 -2.490 286 H GLU 34 H GLU 34 20.331 25.080 -3.826 287 HA GLU 34 HA GLU 34 21.010 22.990 -5.662 288 HB2 GLU 34 HB2 GLU 34 21.739 25.488 -5.668 289 HB3 GLU 34 HB3 GLU 34 22.992 24.954 -4.557 290 HG2 GLU 34 HG2 GLU 34 24.225 24.203 -6.228 291 HG3 GLU 34 HG3 GLU 34 22.900 23.194 -6.808 292 H ALA 35 H ALA 35 21.066 23.157 -2.348 293 HA ALA 35 HA ALA 35 23.475 21.554 -1.997 294 HB1 ALA 35 HB1 ALA 35 23.359 23.060 -0.267 295 HB2 ALA 35 HB2 ALA 35 21.601 22.964 -0.155 296 HB3 ALA 35 HB3 ALA 35 22.597 21.648 0.466 297 H ALA 36 H ALA 36 21.031 20.569 -3.417 298 HA ALA 36 HA ALA 36 20.897 18.005 -2.070 299 HB1 ALA 36 HB1 ALA 36 18.209 18.874 -2.797 300 HB2 ALA 36 HB2 ALA 36 18.785 18.063 -1.340 301 HB3 ALA 36 HB3 ALA 36 18.922 19.815 -1.487 302 HA PRO 37 HA PRO 37 20.628 16.410 -6.149 303 HB2 PRO 37 HB2 PRO 37 19.017 14.248 -5.833 304 HB3 PRO 37 HB3 PRO 37 20.678 14.305 -5.230 305 HG2 PRO 37 HG2 PRO 37 18.111 14.745 -3.754 306 HG3 PRO 37 HG3 PRO 37 19.546 13.831 -3.255 307 HD2 PRO 37 HD2 PRO 37 19.037 16.339 -2.372 308 HD3 PRO 37 HD3 PRO 37 20.687 15.728 -2.613 309 H GLU 38 H GLU 38 19.033 15.641 -7.862 310 HA GLU 38 HA GLU 38 17.167 17.645 -8.393 311 HB2 GLU 38 HB2 GLU 38 18.203 15.402 -9.737 312 HB3 GLU 38 HB3 GLU 38 16.457 15.196 -9.741 313 HG2 GLU 38 HG2 GLU 38 16.101 17.137 -10.956 314 HG3 GLU 38 HG3 GLU 38 17.679 17.803 -10.542 315 H GLU 39 H GLU 39 16.519 14.248 -7.508 316 HA GLU 39 HA GLU 39 13.780 14.376 -7.287 317 HB2 GLU 39 HB2 GLU 39 15.850 12.741 -5.861 318 HB3 GLU 39 HB3 GLU 39 14.155 12.596 -5.416 319 HG2 GLU 39 HG2 GLU 39 13.711 12.160 -7.883 320 HG3 GLU 39 HG3 GLU 39 15.454 11.950 -8.039 321 H THR 40 H THR 40 16.107 14.829 -4.623 322 HA THR 40 HA THR 40 14.261 15.534 -2.658 323 HB THR 40 HB THR 40 17.135 16.432 -2.940 324 HG1 THR 40 HG1 THR 40 15.879 14.219 -1.674 325 HG21 THR 40 HG21 THR 40 15.283 16.499 -0.556 326 HG22 THR 40 HG22 THR 40 15.968 17.890 -1.397 327 HG23 THR 40 HG23 THR 40 17.019 16.799 -0.494 328 H ARG 41 H ARG 41 15.981 17.556 -5.000 329 HA ARG 41 HA ARG 41 15.202 20.058 -4.037 330 HB2 ARG 41 HB2 ARG 41 16.263 18.978 -6.556 331 HB3 ARG 41 HB3 ARG 41 15.311 20.444 -6.745 332 HG2 ARG 41 HG2 ARG 41 16.764 21.698 -5.410 333 HG3 ARG 41 HG3 ARG 41 17.518 20.257 -4.727 334 HD2 ARG 41 HD2 ARG 41 19.091 20.384 -6.289 335 HD3 ARG 41 HD3 ARG 41 17.858 20.092 -7.514 336 HE ARG 41 HE ARG 41 19.115 22.602 -6.876 337 HH11 ARG 41 HH11 ARG 41 16.338 21.053 -8.293 338 HH12 ARG 41 HH12 ARG 41 15.927 22.409 -9.290 339 HH21 ARG 41 HH21 ARG 41 18.584 24.394 -8.184 340 HH22 ARG 41 HH22 ARG 41 17.206 24.309 -9.228 341 H ALA 42 H ALA 42 13.635 17.956 -6.436 342 HA ALA 42 HA ALA 42 11.490 19.661 -7.043 343 HB1 ALA 42 HB1 ALA 42 11.151 16.696 -7.084 344 HB2 ALA 42 HB2 ALA 42 10.600 17.908 -8.242 345 HB3 ALA 42 HB3 ALA 42 12.305 17.459 -8.178 346 H LEU 43 H LEU 43 11.804 17.082 -4.627 347 HA LEU 43 HA LEU 43 9.176 17.112 -3.678 348 HB2 LEU 43 HB2 LEU 43 11.806 16.272 -2.578 349 HB3 LEU 43 HB3 LEU 43 10.446 16.407 -1.465 350 HG LEU 43 HG LEU 43 10.551 14.644 -3.912 351 HD11 LEU 43 HD11 LEU 43 11.438 14.275 -1.179 352 HD12 LEU 43 HD12 LEU 43 11.697 13.262 -2.599 353 HD13 LEU 43 HD13 LEU 43 10.221 13.088 -1.650 354 HD21 LEU 43 HD21 LEU 43 8.436 15.122 -1.827 355 HD22 LEU 43 HD22 LEU 43 8.476 13.674 -2.834 356 HD23 LEU 43 HD23 LEU 43 8.297 15.263 -3.580 357 H TYR 44 H TYR 44 12.036 18.802 -2.385 358 HA TYR 44 HA TYR 44 10.681 20.208 -0.371 359 HB2 TYR 44 HB2 TYR 44 13.236 20.856 -1.848 360 HB3 TYR 44 HB3 TYR 44 12.668 21.745 -0.440 361 HD1 TYR 44 HD2 TYR 44 11.588 18.618 0.291 362 HD2 TYR 44 HD1 TYR 44 15.258 20.726 -0.150 363 HE1 TYR 44 HE2 TYR 44 12.694 16.989 1.766 364 HE2 TYR 44 HE1 TYR 44 16.374 19.102 1.322 365 HH TYR 44 HH TYR 44 14.954 17.192 3.365 366 H ARG 45 H ARG 45 11.699 21.297 -3.608 367 HA ARG 45 HA ARG 45 10.566 23.849 -3.481 368 HB2 ARG 45 HB2 ARG 45 11.377 22.026 -5.707 369 HB3 ARG 45 HB3 ARG 45 10.456 23.474 -6.090 370 HG2 ARG 45 HG2 ARG 45 12.590 24.154 -4.315 371 HG3 ARG 45 HG3 ARG 45 13.225 23.235 -5.682 372 HD2 ARG 45 HD2 ARG 45 13.273 25.544 -6.277 373 HD3 ARG 45 HD3 ARG 45 11.976 24.781 -7.196 374 HE ARG 45 HE ARG 45 10.735 25.749 -4.976 375 HH11 ARG 45 HH11 ARG 45 12.768 27.135 -7.438 376 HH12 ARG 45 HH12 ARG 45 12.039 28.704 -7.341 377 HH21 ARG 45 HH21 ARG 45 9.767 27.810 -4.838 378 HH22 ARG 45 HH22 ARG 45 10.333 29.087 -5.861 379 H GLU 46 H GLU 46 9.124 20.747 -4.013 380 HA GLU 46 HA GLU 46 6.722 21.681 -5.238 381 HB2 GLU 46 HB2 GLU 46 7.425 19.380 -5.540 382 HB3 GLU 46 HB3 GLU 46 7.355 19.097 -3.806 383 HG2 GLU 46 HG2 GLU 46 5.103 18.892 -3.785 384 HG3 GLU 46 HG3 GLU 46 4.874 20.038 -5.105 385 H TYR 47 H TYR 47 7.303 20.328 -1.987 386 HA TYR 47 HA TYR 47 4.804 21.133 -0.952 387 HB2 TYR 47 HB2 TYR 47 6.549 19.388 -0.068 388 HB3 TYR 47 HB3 TYR 47 7.197 20.766 0.814 389 HD1 TYR 47 HD2 TYR 47 4.322 18.512 0.447 390 HD2 TYR 47 HD1 TYR 47 5.984 21.746 2.657 391 HE1 TYR 47 HE2 TYR 47 2.627 18.180 2.198 392 HE2 TYR 47 HE1 TYR 47 4.294 21.423 4.414 393 HH TYR 47 HH TYR 47 1.644 19.158 4.019 394 H ARG 48 H ARG 48 7.836 22.770 -1.323 395 HA ARG 48 HA ARG 48 7.314 24.845 0.579 396 HB2 ARG 48 HB2 ARG 48 9.603 24.213 -0.113 397 HB3 ARG 48 HB3 ARG 48 9.260 24.800 -1.735 398 HG2 ARG 48 HG2 ARG 48 10.558 26.402 -0.410 399 HG3 ARG 48 HG3 ARG 48 8.993 27.053 -0.904 400 HD2 ARG 48 HD2 ARG 48 9.638 27.535 1.469 401 HD3 ARG 48 HD3 ARG 48 8.083 26.729 1.269 402 HE ARG 48 HE ARG 48 10.151 24.836 1.679 403 HH11 ARG 48 HH11 ARG 48 8.197 27.186 3.346 404 HH12 ARG 48 HH12 ARG 48 8.297 26.377 4.875 405 HH21 ARG 48 HH21 ARG 48 10.290 23.761 3.687 406 HH22 ARG 48 HH22 ARG 48 9.488 24.430 5.068 407 H THR 49 H THR 49 7.152 24.617 -2.963 408 HA THR 49 HA THR 49 6.253 27.263 -3.384 409 HB THR 49 HB THR 49 5.934 24.809 -5.122 410 HG1 THR 49 HG1 THR 49 7.895 25.279 -5.783 411 HG21 THR 49 HG21 THR 49 5.340 27.714 -5.636 412 HG22 THR 49 HG22 THR 49 4.295 26.316 -5.893 413 HG23 THR 49 HG23 THR 49 5.686 26.583 -6.943 414 H LEU 50 H LEU 50 4.576 24.223 -2.810 415 HA LEU 50 HA LEU 50 1.969 25.260 -3.359 416 HB2 LEU 50 HB2 LEU 50 3.148 22.735 -2.552 417 HB3 LEU 50 HB3 LEU 50 1.641 23.065 -1.700 418 HG LEU 50 HG LEU 50 1.844 23.188 -4.698 419 HD11 LEU 50 HD11 LEU 50 1.102 20.805 -3.006 420 HD12 LEU 50 HD12 LEU 50 2.560 20.964 -3.985 421 HD13 LEU 50 HD13 LEU 50 0.978 20.913 -4.762 422 HD21 LEU 50 HD21 LEU 50 -0.376 23.088 -2.685 423 HD22 LEU 50 HD22 LEU 50 -0.632 22.592 -4.358 424 HD23 LEU 50 HD23 LEU 50 -0.114 24.239 -3.995 425 H LYS 51 H LYS 51 3.853 24.667 -0.422 426 HA LYS 51 HA LYS 51 1.788 25.491 1.364 427 HB2 LYS 51 HB2 LYS 51 3.619 23.989 2.050 428 HB3 LYS 51 HB3 LYS 51 4.772 25.297 1.820 429 HG2 LYS 51 HG2 LYS 51 3.424 26.585 3.544 430 HG3 LYS 51 HG3 LYS 51 2.624 25.053 3.900 431 HD2 LYS 51 HD2 LYS 51 4.804 24.042 4.398 432 HD3 LYS 51 HD3 LYS 51 5.592 25.584 4.059 433 HE2 LYS 51 HE2 LYS 51 5.259 26.200 6.166 434 HE3 LYS 51 HE3 LYS 51 3.518 26.086 5.914 435 HZ1 LYS 51 HZ1 LYS 51 4.139 23.524 6.267 436 HZ2 LYS 51 HZ2 LYS 51 3.684 24.553 7.530 437 HZ3 LYS 51 HZ3 LYS 51 5.322 24.241 7.242 438 H ARG 52 H ARG 52 4.220 27.133 -0.468 439 HA ARG 52 HA ARG 52 4.072 29.565 1.094 440 HB2 ARG 52 HB2 ARG 52 5.542 28.737 -1.390 441 HB3 ARG 52 HB3 ARG 52 5.448 30.432 -0.931 442 HG2 ARG 52 HG2 ARG 52 6.559 28.226 0.791 443 HG3 ARG 52 HG3 ARG 52 7.514 29.364 -0.161 444 HD2 ARG 52 HD2 ARG 52 7.559 30.515 1.781 445 HD3 ARG 52 HD3 ARG 52 5.989 31.089 1.223 446 HE ARG 52 HE ARG 52 5.762 28.688 2.740 447 HH11 ARG 52 HH11 ARG 52 6.181 32.135 3.003 448 HH12 ARG 52 HH12 ARG 52 5.478 32.231 4.584 449 HH21 ARG 52 HH21 ARG 52 4.834 28.802 4.821 450 HH22 ARG 52 HH22 ARG 52 4.713 30.335 5.617 451 H THR 53 H THR 53 2.853 28.335 -1.975 452 HA THR 53 HA THR 53 1.672 30.830 -2.760 453 HB THR 53 HB THR 53 2.394 29.068 -4.389 454 HG1 THR 53 HG1 THR 53 0.750 30.757 -4.812 455 HG21 THR 53 HG21 THR 53 1.438 27.160 -3.058 456 HG22 THR 53 HG22 THR 53 1.040 27.138 -4.776 457 HG23 THR 53 HG23 THR 53 -0.160 27.672 -3.599 458 H THR 54 H THR 54 0.637 27.987 -1.016 459 HA THR 54 HA THR 54 -2.163 28.589 -1.139 460 HB THR 54 HB THR 54 -1.232 26.281 -0.777 461 HG1 THR 54 HG1 THR 54 -3.435 26.981 -0.203 462 HG21 THR 54 HG21 THR 54 0.340 27.324 1.102 463 HG22 THR 54 HG22 THR 54 -0.190 25.642 1.152 464 HG23 THR 54 HG23 THR 54 -1.015 26.856 2.129 465 H GLY 55 H GLY 55 0.483 29.564 0.853 466 HA2 GLY 55 HA2 GLY 55 0.418 31.423 2.299 467 HA3 GLY 55 HA3 GLY 55 -1.330 31.264 2.388 468 H GLN 56 H GLN 56 -1.442 28.513 3.058 469 HA GLN 56 HA GLN 56 -0.652 28.706 5.862 470 HB2 GLN 56 HB2 GLN 56 -2.925 27.719 4.549 471 HB3 GLN 56 HB3 GLN 56 -2.104 26.301 5.187 472 HG2 GLN 56 HG2 GLN 56 -3.015 26.716 7.154 473 HG3 GLN 56 HG3 GLN 56 -2.064 28.197 7.245 474 HE21 GLN 56 HE21 GLN 56 -3.321 29.778 7.909 475 HE22 GLN 56 HE22 GLN 56 -4.918 30.116 7.345 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.063 -3.458 -2.255 2 HA2 GLY 1 HA2 GLY 1 3.545 -2.585 -0.710 3 HA3 GLY 1 HA3 GLY 1 5.046 -2.414 0.188 4 H SER 2 H SER 2 5.981 -0.378 -1.819 5 HA SER 2 HA SER 2 6.066 1.891 -1.964 6 HB2 SER 2 HB2 SER 2 3.132 2.124 -1.454 7 HB3 SER 2 HB3 SER 2 4.132 2.943 -2.654 8 HG SER 2 HG SER 2 4.211 1.009 -3.829 9 H MET 3 H MET 3 6.541 0.773 0.580 10 HA MET 3 HA MET 3 5.310 2.703 2.420 11 HB2 MET 3 HB2 MET 3 6.096 1.245 4.220 12 HB3 MET 3 HB3 MET 3 5.114 0.349 3.069 13 HG2 MET 3 HG2 MET 3 7.206 -0.467 2.010 14 HG3 MET 3 HG3 MET 3 8.112 0.322 3.299 15 HE1 MET 3 HE1 MET 3 5.700 -3.545 3.511 16 HE2 MET 3 HE2 MET 3 5.272 -2.164 2.501 17 HE3 MET 3 HE3 MET 3 6.768 -3.048 2.197 18 H GLU 4 H GLU 4 8.414 1.493 1.264 19 HA GLU 4 HA GLU 4 10.090 2.945 2.971 20 HB2 GLU 4 HB2 GLU 4 11.806 2.660 1.188 21 HB3 GLU 4 HB3 GLU 4 10.986 1.167 1.621 22 HG2 GLU 4 HG2 GLU 4 9.440 1.723 -0.377 23 HG3 GLU 4 HG3 GLU 4 10.748 2.797 -0.869 24 H ARG 5 H ARG 5 8.691 3.800 -0.169 25 HA ARG 5 HA ARG 5 9.993 6.297 -0.416 26 HB2 ARG 5 HB2 ARG 5 8.822 4.967 -2.244 27 HB3 ARG 5 HB3 ARG 5 7.311 5.597 -1.602 28 HG2 ARG 5 HG2 ARG 5 7.793 7.051 -3.332 29 HG3 ARG 5 HG3 ARG 5 8.399 7.911 -1.915 30 HD2 ARG 5 HD2 ARG 5 10.254 8.140 -3.175 31 HD3 ARG 5 HD3 ARG 5 10.596 6.509 -2.599 32 HE ARG 5 HE ARG 5 9.047 6.563 -5.015 33 HH11 ARG 5 HH11 ARG 5 12.262 6.670 -3.684 34 HH12 ARG 5 HH12 ARG 5 13.019 6.074 -5.124 35 HH21 ARG 5 HH21 ARG 5 10.032 5.778 -6.916 36 HH22 ARG 5 HH22 ARG 5 11.749 5.568 -6.962 37 H LEU 6 H LEU 6 6.897 5.329 0.977 38 HA LEU 6 HA LEU 6 5.875 7.906 1.444 39 HB2 LEU 6 HB2 LEU 6 4.613 5.742 1.545 40 HB3 LEU 6 HB3 LEU 6 5.370 5.448 3.110 41 HG LEU 6 HG LEU 6 4.298 7.624 3.869 42 HD11 LEU 6 HD11 LEU 6 3.810 8.216 1.386 43 HD12 LEU 6 HD12 LEU 6 2.635 8.635 2.633 44 HD13 LEU 6 HD13 LEU 6 2.377 7.215 1.619 45 HD21 LEU 6 HD21 LEU 6 2.840 6.272 4.855 46 HD22 LEU 6 HD22 LEU 6 3.341 4.993 3.749 47 HD23 LEU 6 HD23 LEU 6 1.971 6.027 3.340 48 H ARG 7 H ARG 7 7.467 5.668 3.725 49 HA ARG 7 HA ARG 7 7.632 7.485 5.854 50 HB2 ARG 7 HB2 ARG 7 7.953 4.985 5.966 51 HB3 ARG 7 HB3 ARG 7 9.562 5.231 5.302 52 HG2 ARG 7 HG2 ARG 7 10.388 6.053 7.239 53 HG3 ARG 7 HG3 ARG 7 8.863 6.817 7.693 54 HD2 ARG 7 HD2 ARG 7 8.087 4.960 8.740 55 HD3 ARG 7 HD3 ARG 7 8.900 3.861 7.626 56 HE ARG 7 HE ARG 7 9.878 4.776 10.135 57 HH11 ARG 7 HH11 ARG 7 10.874 3.861 6.927 58 HH12 ARG 7 HH12 ARG 7 12.463 3.374 7.418 59 HH21 ARG 7 HH21 ARG 7 11.967 4.138 10.794 60 HH22 ARG 7 HH22 ARG 7 13.083 3.531 9.618 61 H ASP 8 H ASP 8 9.836 6.802 3.188 62 HA ASP 8 HA ASP 8 12.008 8.344 4.116 63 HB2 ASP 8 HB2 ASP 8 12.349 6.722 2.364 64 HB3 ASP 8 HB3 ASP 8 11.195 7.543 1.317 65 H VAL 9 H VAL 9 9.613 9.129 1.588 66 HA VAL 9 HA VAL 9 10.362 11.803 1.265 67 HB VAL 9 HB VAL 9 7.639 10.563 0.841 68 HG11 VAL 9 HG11 VAL 9 7.006 12.698 0.579 69 HG12 VAL 9 HG12 VAL 9 8.668 13.278 0.456 70 HG13 VAL 9 HG13 VAL 9 7.864 12.597 -0.959 71 HG21 VAL 9 HG21 VAL 9 9.333 11.177 -1.469 72 HG22 VAL 9 HG22 VAL 9 9.965 9.908 -0.420 73 HG23 VAL 9 HG23 VAL 9 8.356 9.750 -1.125 74 H ARG 10 H ARG 10 7.792 10.387 3.277 75 HA ARG 10 HA ARG 10 6.740 12.735 4.320 76 HB2 ARG 10 HB2 ARG 10 5.690 10.549 4.635 77 HB3 ARG 10 HB3 ARG 10 7.020 10.044 5.669 78 HG2 ARG 10 HG2 ARG 10 6.260 11.206 7.453 79 HG3 ARG 10 HG3 ARG 10 5.593 12.505 6.461 80 HD2 ARG 10 HD2 ARG 10 4.034 10.365 5.759 81 HD3 ARG 10 HD3 ARG 10 4.333 10.068 7.472 82 HE ARG 10 HE ARG 10 3.610 12.670 7.420 83 HH11 ARG 10 HH11 ARG 10 2.180 9.772 6.125 84 HH12 ARG 10 HH12 ARG 10 0.555 10.357 6.260 85 HH21 ARG 10 HH21 ARG 10 1.474 13.452 7.604 86 HH22 ARG 10 HH22 ARG 10 0.155 12.450 7.101 87 H GLU 11 H GLU 11 9.376 10.718 5.597 88 HA GLU 11 HA GLU 11 9.898 12.349 7.850 89 HB2 GLU 11 HB2 GLU 11 10.616 9.979 7.636 90 HB3 GLU 11 HB3 GLU 11 11.789 10.472 6.423 91 HG2 GLU 11 HG2 GLU 11 13.049 11.696 8.001 92 HG3 GLU 11 HG3 GLU 11 11.774 11.583 9.212 93 H ARG 12 H ARG 12 11.324 12.197 4.612 94 HA ARG 12 HA ARG 12 13.377 14.059 5.006 95 HB2 ARG 12 HB2 ARG 12 13.150 12.547 3.034 96 HB3 ARG 12 HB3 ARG 12 11.841 13.565 2.451 97 HG2 ARG 12 HG2 ARG 12 13.300 14.888 1.451 98 HG3 ARG 12 HG3 ARG 12 14.075 15.228 3.000 99 HD2 ARG 12 HD2 ARG 12 14.701 12.641 1.692 100 HD3 ARG 12 HD3 ARG 12 15.369 14.101 0.963 101 HE ARG 12 HE ARG 12 15.889 14.203 3.698 102 HH11 ARG 12 HH11 ARG 12 16.761 12.277 0.932 103 HH12 ARG 12 HH12 ARG 12 18.316 11.844 1.560 104 HH21 ARG 12 HH21 ARG 12 17.934 13.639 4.536 105 HH22 ARG 12 HH22 ARG 12 18.982 12.619 3.611 106 H LEU 13 H LEU 13 10.041 14.512 3.881 107 HA LEU 13 HA LEU 13 10.233 17.288 3.429 108 HB2 LEU 13 HB2 LEU 13 8.312 15.334 3.086 109 HB3 LEU 13 HB3 LEU 13 7.609 16.390 4.310 110 HG LEU 13 HG LEU 13 8.573 17.281 1.592 111 HD11 LEU 13 HD11 LEU 13 6.614 16.645 0.781 112 HD12 LEU 13 HD12 LEU 13 5.784 17.632 1.983 113 HD13 LEU 13 HD13 LEU 13 6.185 15.954 2.347 114 HD21 LEU 13 HD21 LEU 13 8.427 18.818 3.784 115 HD22 LEU 13 HD22 LEU 13 6.751 18.920 3.242 116 HD23 LEU 13 HD23 LEU 13 8.058 19.407 2.163 117 H GLN 14 H GLN 14 8.927 15.474 6.204 118 HA GLN 14 HA GLN 14 8.198 17.596 7.811 119 HB2 GLN 14 HB2 GLN 14 9.359 14.924 8.613 120 HB3 GLN 14 HB3 GLN 14 8.603 16.049 9.733 121 HG2 GLN 14 HG2 GLN 14 6.997 15.334 7.376 122 HG3 GLN 14 HG3 GLN 14 7.314 14.026 8.515 123 HE21 GLN 14 HE21 GLN 14 6.196 17.380 8.371 124 HE22 GLN 14 HE22 GLN 14 5.059 17.241 9.664 125 H ALA 15 H ALA 15 11.267 15.800 8.127 126 HA ALA 15 HA ALA 15 12.521 17.537 9.883 127 HB1 ALA 15 HB1 ALA 15 13.934 15.825 9.762 128 HB2 ALA 15 HB2 ALA 15 13.308 15.333 8.188 129 HB3 ALA 15 HB3 ALA 15 14.574 16.556 8.290 130 H TRP 16 H TRP 16 12.460 17.600 6.344 131 HA TRP 16 HA TRP 16 14.308 19.597 5.860 132 HB2 TRP 16 HB2 TRP 16 13.380 18.415 4.008 133 HB3 TRP 16 HB3 TRP 16 11.742 18.906 4.428 134 HD1 TRP 16 HD1 TRP 16 10.900 20.560 2.679 135 HE1 TRP 16 HE1 TRP 16 11.886 22.561 1.395 136 HE3 TRP 16 HE3 TRP 16 15.689 20.387 4.460 137 HZ2 TRP 16 HZ2 TRP 16 14.366 23.890 1.167 138 HZ3 TRP 16 HZ3 TRP 16 17.306 22.059 3.658 139 HH2 TRP 16 HH2 TRP 16 16.657 23.773 2.046 140 H GLU 17 H GLU 17 10.821 20.266 5.653 141 HA GLU 17 HA GLU 17 10.988 23.006 5.913 142 HB2 GLU 17 HB2 GLU 17 8.636 22.988 6.466 143 HB3 GLU 17 HB3 GLU 17 8.951 21.760 5.249 144 HG2 GLU 17 HG2 GLU 17 8.815 20.015 6.869 145 HG3 GLU 17 HG3 GLU 17 8.746 21.179 8.191 146 H ARG 18 H ARG 18 11.117 20.555 8.384 147 HA ARG 18 HA ARG 18 10.537 22.103 10.640 148 HB2 ARG 18 HB2 ARG 18 11.830 19.525 10.093 149 HB3 ARG 18 HB3 ARG 18 12.406 20.316 11.555 150 HG2 ARG 18 HG2 ARG 18 9.508 19.781 10.941 151 HG3 ARG 18 HG3 ARG 18 10.533 18.742 11.933 152 HD2 ARG 18 HD2 ARG 18 10.994 20.898 13.287 153 HD3 ARG 18 HD3 ARG 18 9.548 21.515 12.489 154 HE ARG 18 HE ARG 18 8.267 20.128 13.795 155 HH11 ARG 18 HH11 ARG 18 11.615 19.210 14.056 156 HH12 ARG 18 HH12 ARG 18 11.345 18.107 15.364 157 HH21 ARG 18 HH21 ARG 18 7.899 18.679 15.518 158 HH22 ARG 18 HH22 ARG 18 9.232 17.805 16.194 159 H ALA 19 H ALA 19 13.822 20.971 9.891 160 HA ALA 19 HA ALA 19 15.097 22.974 11.389 161 HB1 ALA 19 HB1 ALA 19 15.883 20.672 10.090 162 HB2 ALA 19 HB2 ALA 19 16.720 21.949 9.207 163 HB3 ALA 19 HB3 ALA 19 16.937 21.793 10.951 164 H PHE 20 H PHE 20 14.108 22.839 8.028 165 HA PHE 20 HA PHE 20 15.590 24.979 7.018 166 HB2 PHE 20 HB2 PHE 20 14.458 23.606 5.454 167 HB3 PHE 20 HB3 PHE 20 12.907 23.839 6.255 168 HD1 PHE 20 HD2 PHE 20 15.570 25.843 4.579 169 HD2 PHE 20 HD1 PHE 20 11.412 25.297 5.307 170 HE1 PHE 20 HE2 PHE 20 15.061 27.696 3.043 171 HE2 PHE 20 HE1 PHE 20 10.896 27.149 3.772 172 HZ PHE 20 HZ PHE 20 12.722 28.352 2.638 173 H ARG 21 H ARG 21 12.146 25.074 7.949 174 HA ARG 21 HA ARG 21 12.068 27.913 8.021 175 HB2 ARG 21 HB2 ARG 21 10.059 26.609 7.585 176 HB3 ARG 21 HB3 ARG 21 10.170 25.862 9.173 177 HG2 ARG 21 HG2 ARG 21 9.169 27.583 10.174 178 HG3 ARG 21 HG3 ARG 21 10.115 28.772 9.276 179 HD2 ARG 21 HD2 ARG 21 8.629 28.747 7.462 180 HD3 ARG 21 HD3 ARG 21 7.879 27.241 7.988 181 HE ARG 21 HE ARG 21 7.546 29.373 9.872 182 HH11 ARG 21 HH11 ARG 21 6.299 27.946 6.952 183 HH12 ARG 21 HH12 ARG 21 4.701 28.576 7.171 184 HH21 ARG 21 HH21 ARG 21 5.445 30.208 10.173 185 HH22 ARG 21 HH22 ARG 21 4.216 29.863 9.003 186 H ARG 22 H ARG 22 13.356 25.666 10.148 187 HA ARG 22 HA ARG 22 12.756 26.987 12.617 188 HB2 ARG 22 HB2 ARG 22 13.248 24.654 12.720 189 HB3 ARG 22 HB3 ARG 22 14.762 24.869 11.853 190 HG2 ARG 22 HG2 ARG 22 15.858 25.701 13.695 191 HG3 ARG 22 HG3 ARG 22 14.367 26.239 14.470 192 HD2 ARG 22 HD2 ARG 22 13.753 23.949 14.954 193 HD3 ARG 22 HD3 ARG 22 15.166 23.357 14.081 194 HE ARG 22 HE ARG 22 15.088 24.310 16.767 195 HH11 ARG 22 HH11 ARG 22 17.094 24.086 13.930 196 HH12 ARG 22 HH12 ARG 22 18.581 24.142 14.818 197 HH21 ARG 22 HH21 ARG 22 17.039 24.384 17.947 198 HH22 ARG 22 HH22 ARG 22 18.549 24.310 17.102 199 H GLN 23 H GLN 23 15.617 26.818 10.514 200 HA GLN 23 HA GLN 23 16.876 28.953 12.066 201 HB2 GLN 23 HB2 GLN 23 18.892 28.445 10.764 202 HB3 GLN 23 HB3 GLN 23 18.255 27.006 11.549 203 HG2 GLN 23 HG2 GLN 23 17.021 26.800 9.182 204 HG3 GLN 23 HG3 GLN 23 18.471 27.670 8.685 205 HE21 GLN 23 HE21 GLN 23 20.521 26.719 9.772 206 HE22 GLN 23 HE22 GLN 23 20.670 25.001 9.666 207 H ARG 24 H ARG 24 15.760 28.225 8.793 208 HA ARG 24 HA ARG 24 16.558 30.745 7.707 209 HB2 ARG 24 HB2 ARG 24 14.476 28.867 6.591 210 HB3 ARG 24 HB3 ARG 24 15.419 30.064 5.714 211 HG2 ARG 24 HG2 ARG 24 17.231 28.304 7.001 212 HG3 ARG 24 HG3 ARG 24 16.010 27.333 6.175 213 HD2 ARG 24 HD2 ARG 24 16.715 27.959 4.128 214 HD3 ARG 24 HD3 ARG 24 17.043 29.615 4.637 215 HE ARG 24 HE ARG 24 18.909 27.448 4.510 216 HH11 ARG 24 HH11 ARG 24 18.147 30.441 6.117 217 HH12 ARG 24 HH12 ARG 24 19.788 30.771 6.564 218 HH21 ARG 24 HH21 ARG 24 21.074 27.871 5.093 219 HH22 ARG 24 HH22 ARG 24 21.452 29.309 5.980 220 H GLY 25 H GLY 25 13.311 29.366 8.282 221 HA2 GLY 25 HA2 GLY 25 11.356 30.369 8.962 222 HA3 GLY 25 HA3 GLY 25 12.329 31.713 9.543 223 H ARG 26 H ARG 26 11.987 30.448 6.247 224 HA ARG 26 HA ARG 26 10.163 32.291 5.262 225 HB2 ARG 26 HB2 ARG 26 12.577 33.558 5.904 226 HB3 ARG 26 HB3 ARG 26 12.612 33.367 4.156 227 HG2 ARG 26 HG2 ARG 26 11.008 34.896 3.830 228 HG3 ARG 26 HG3 ARG 26 10.069 34.357 5.224 229 HD2 ARG 26 HD2 ARG 26 11.912 35.457 6.633 230 HD3 ARG 26 HD3 ARG 26 12.390 36.257 5.137 231 HE ARG 26 HE ARG 26 9.650 36.648 5.483 232 HH11 ARG 26 HH11 ARG 26 12.649 37.533 7.013 233 HH12 ARG 26 HH12 ARG 26 12.038 39.027 7.642 234 HH21 ARG 26 HH21 ARG 26 8.833 38.613 6.306 235 HH22 ARG 26 HH22 ARG 26 9.867 39.640 7.240 236 H ARG 27 H ARG 27 11.051 32.831 2.735 237 HA ARG 27 HA ARG 27 10.723 30.396 1.414 238 HB2 ARG 27 HB2 ARG 27 11.692 33.098 0.530 239 HB3 ARG 27 HB3 ARG 27 11.675 31.742 -0.590 240 HG2 ARG 27 HG2 ARG 27 9.208 31.485 0.095 241 HG3 ARG 27 HG3 ARG 27 9.373 33.124 0.728 242 HD2 ARG 27 HD2 ARG 27 10.359 32.628 -2.021 243 HD3 ARG 27 HD3 ARG 27 8.613 32.607 -1.779 244 HE ARG 27 HE ARG 27 9.462 34.891 -0.538 245 HH11 ARG 27 HH11 ARG 27 9.722 33.571 -3.749 246 HH12 ARG 27 HH12 ARG 27 9.760 35.120 -4.524 247 HH21 ARG 27 HH21 ARG 27 9.511 36.936 -1.547 248 HH22 ARG 27 HH22 ARG 27 9.641 37.033 -3.270 249 HA PRO 28 HA PRO 28 14.687 28.519 1.265 250 HB2 PRO 28 HB2 PRO 28 14.642 27.364 -1.191 251 HB3 PRO 28 HB3 PRO 28 13.687 26.764 0.170 252 HG2 PRO 28 HG2 PRO 28 12.843 28.502 -2.117 253 HG3 PRO 28 HG3 PRO 28 11.996 27.128 -1.384 254 HD2 PRO 28 HD2 PRO 28 11.362 29.699 -0.819 255 HD3 PRO 28 HD3 PRO 28 11.201 28.392 0.372 256 H SER 29 H SER 29 16.615 28.220 -0.340 257 HA SER 29 HA SER 29 17.023 30.596 -1.996 258 HB2 SER 29 HB2 SER 29 18.682 29.823 0.397 259 HB3 SER 29 HB3 SER 29 19.361 30.781 -0.919 260 HG SER 29 HG SER 29 18.217 32.452 -0.303 261 H GLN 30 H GLN 30 18.792 30.404 -3.486 262 HA GLN 30 HA GLN 30 18.963 27.935 -4.756 263 HB2 GLN 30 HB2 GLN 30 20.469 30.498 -4.941 264 HB3 GLN 30 HB3 GLN 30 21.159 29.083 -5.726 265 HG2 GLN 30 HG2 GLN 30 19.097 28.791 -7.006 266 HG3 GLN 30 HG3 GLN 30 18.416 30.218 -6.226 267 HE21 GLN 30 HE21 GLN 30 19.582 32.252 -6.546 268 HE22 GLN 30 HE22 GLN 30 20.370 32.526 -8.059 269 H ASP 31 H ASP 31 20.686 29.142 -2.043 270 HA ASP 31 HA ASP 31 22.990 27.474 -2.275 271 HB2 ASP 31 HB2 ASP 31 21.839 29.271 -0.207 272 HB3 ASP 31 HB3 ASP 31 22.954 28.025 0.349 273 H ASP 32 H ASP 32 19.994 27.277 -0.376 274 HA ASP 32 HA ASP 32 20.680 24.677 0.667 275 HB2 ASP 32 HB2 ASP 32 18.799 26.728 1.297 276 HB3 ASP 32 HB3 ASP 32 17.909 25.232 1.025 277 H VAL 33 H VAL 33 18.833 25.970 -1.984 278 HA VAL 33 HA VAL 33 17.363 23.586 -2.548 279 HB VAL 33 HB VAL 33 17.971 25.960 -4.315 280 HG11 VAL 33 HG11 VAL 33 16.300 23.516 -4.719 281 HG12 VAL 33 HG12 VAL 33 15.823 25.043 -5.464 282 HG13 VAL 33 HG13 VAL 33 17.391 24.328 -5.843 283 HG21 VAL 33 HG21 VAL 33 16.151 26.999 -3.473 284 HG22 VAL 33 HG22 VAL 33 15.264 25.493 -3.239 285 HG23 VAL 33 HG23 VAL 33 16.488 25.987 -2.069 286 H GLU 34 H GLU 34 20.288 25.073 -3.906 287 HA GLU 34 HA GLU 34 20.717 22.958 -5.788 288 HB2 GLU 34 HB2 GLU 34 21.531 25.429 -5.873 289 HB3 GLU 34 HB3 GLU 34 22.863 24.849 -4.884 290 HG2 GLU 34 HG2 GLU 34 22.914 23.009 -6.834 291 HG3 GLU 34 HG3 GLU 34 22.271 24.384 -7.731 292 H ALA 35 H ALA 35 21.197 23.239 -2.478 293 HA ALA 35 HA ALA 35 23.594 21.694 -2.231 294 HB1 ALA 35 HB1 ALA 35 23.428 22.744 -0.266 295 HB2 ALA 35 HB2 ALA 35 21.688 22.979 -0.437 296 HB3 ALA 35 HB3 ALA 35 22.314 21.451 0.182 297 H ALA 36 H ALA 36 20.145 20.997 -2.213 298 HA ALA 36 HA ALA 36 20.566 18.209 -1.543 299 HB1 ALA 36 HB1 ALA 36 17.918 18.911 -2.530 300 HB2 ALA 36 HB2 ALA 36 18.403 18.194 -0.993 301 HB3 ALA 36 HB3 ALA 36 18.458 19.944 -1.206 302 HA PRO 37 HA PRO 37 20.753 16.526 -5.591 303 HB2 PRO 37 HB2 PRO 37 19.236 14.285 -5.365 304 HB3 PRO 37 HB3 PRO 37 20.831 14.445 -4.620 305 HG2 PRO 37 HG2 PRO 37 18.122 14.774 -3.388 306 HG3 PRO 37 HG3 PRO 37 19.553 13.949 -2.742 307 HD2 PRO 37 HD2 PRO 37 18.836 16.443 -1.969 308 HD3 PRO 37 HD3 PRO 37 20.530 15.918 -2.048 309 H GLU 38 H GLU 38 19.194 15.378 -7.287 310 HA GLU 38 HA GLU 38 17.369 17.344 -8.140 311 HB2 GLU 38 HB2 GLU 38 18.625 15.493 -9.481 312 HB3 GLU 38 HB3 GLU 38 17.223 14.505 -9.097 313 HG2 GLU 38 HG2 GLU 38 15.776 16.192 -10.153 314 HG3 GLU 38 HG3 GLU 38 17.211 17.117 -10.593 315 H GLU 39 H GLU 39 16.660 13.980 -7.173 316 HA GLU 39 HA GLU 39 13.925 14.126 -7.074 317 HB2 GLU 39 HB2 GLU 39 15.619 12.167 -6.556 318 HB3 GLU 39 HB3 GLU 39 15.328 12.646 -4.890 319 HG2 GLU 39 HG2 GLU 39 12.844 12.430 -5.457 320 HG3 GLU 39 HG3 GLU 39 13.384 11.563 -6.894 321 H THR 40 H THR 40 16.106 14.670 -4.304 322 HA THR 40 HA THR 40 14.178 15.440 -2.458 323 HB THR 40 HB THR 40 17.035 16.414 -2.651 324 HG1 THR 40 HG1 THR 40 17.198 14.702 -0.944 325 HG21 THR 40 HG21 THR 40 16.796 16.779 -0.201 326 HG22 THR 40 HG22 THR 40 15.070 16.453 -0.359 327 HG23 THR 40 HG23 THR 40 15.782 17.847 -1.170 328 H ARG 41 H ARG 41 16.024 17.434 -4.740 329 HA ARG 41 HA ARG 41 15.145 19.942 -3.937 330 HB2 ARG 41 HB2 ARG 41 16.180 18.795 -6.479 331 HB3 ARG 41 HB3 ARG 41 15.404 20.371 -6.560 332 HG2 ARG 41 HG2 ARG 41 16.974 21.302 -5.021 333 HG3 ARG 41 HG3 ARG 41 17.665 19.712 -4.690 334 HD2 ARG 41 HD2 ARG 41 19.121 20.048 -6.331 335 HD3 ARG 41 HD3 ARG 41 17.780 20.061 -7.475 336 HE ARG 41 HE ARG 41 18.199 22.586 -6.174 337 HH11 ARG 41 HH11 ARG 41 19.156 20.546 -8.828 338 HH12 ARG 41 HH12 ARG 41 19.704 21.861 -9.813 339 HH21 ARG 41 HH21 ARG 41 18.917 24.327 -7.462 340 HH22 ARG 41 HH22 ARG 41 19.568 24.012 -9.035 341 H ALA 42 H ALA 42 13.643 17.628 -6.149 342 HA ALA 42 HA ALA 42 11.526 19.289 -6.998 343 HB1 ALA 42 HB1 ALA 42 12.363 17.041 -7.964 344 HB2 ALA 42 HB2 ALA 42 11.253 16.315 -6.801 345 HB3 ALA 42 HB3 ALA 42 10.641 17.415 -8.037 346 H LEU 43 H LEU 43 11.671 16.791 -4.463 347 HA LEU 43 HA LEU 43 9.021 17.068 -3.582 348 HB2 LEU 43 HB2 LEU 43 11.343 16.310 -1.830 349 HB3 LEU 43 HB3 LEU 43 9.658 15.813 -1.677 350 HG LEU 43 HG LEU 43 10.977 15.003 -4.180 351 HD11 LEU 43 HD11 LEU 43 12.280 14.550 -1.658 352 HD12 LEU 43 HD12 LEU 43 12.797 14.108 -3.285 353 HD13 LEU 43 HD13 LEU 43 11.752 13.024 -2.368 354 HD21 LEU 43 HD21 LEU 43 9.885 12.811 -3.364 355 HD22 LEU 43 HD22 LEU 43 8.843 14.139 -3.875 356 HD23 LEU 43 HD23 LEU 43 9.104 13.833 -2.158 357 H TYR 44 H TYR 44 12.021 18.570 -2.414 358 HA TYR 44 HA TYR 44 10.889 20.022 -0.300 359 HB2 TYR 44 HB2 TYR 44 13.363 20.430 -1.965 360 HB3 TYR 44 HB3 TYR 44 12.926 21.549 -0.679 361 HD1 TYR 44 HD1 TYR 44 11.824 18.323 0.183 362 HD2 TYR 44 HD2 TYR 44 15.332 20.726 0.014 363 HE1 TYR 44 HE1 TYR 44 12.905 16.850 1.829 364 HE2 TYR 44 HE2 TYR 44 16.423 19.258 1.659 365 HH TYR 44 HH TYR 44 16.017 16.623 2.330 366 H ARG 45 H ARG 45 11.751 21.152 -3.573 367 HA ARG 45 HA ARG 45 10.614 23.705 -3.311 368 HB2 ARG 45 HB2 ARG 45 12.163 22.551 -5.173 369 HB3 ARG 45 HB3 ARG 45 10.611 22.427 -5.991 370 HG2 ARG 45 HG2 ARG 45 10.995 25.063 -4.882 371 HG3 ARG 45 HG3 ARG 45 12.320 24.613 -5.958 372 HD2 ARG 45 HD2 ARG 45 10.996 24.580 -7.796 373 HD3 ARG 45 HD3 ARG 45 9.593 23.991 -6.905 374 HE ARG 45 HE ARG 45 10.082 26.615 -6.097 375 HH11 ARG 45 HH11 ARG 45 9.108 24.880 -8.953 376 HH12 ARG 45 HH12 ARG 45 8.177 26.194 -9.592 377 HH21 ARG 45 HH21 ARG 45 8.860 28.352 -6.927 378 HH22 ARG 45 HH22 ARG 45 8.037 28.169 -8.440 379 H GLU 46 H GLU 46 9.206 20.611 -3.971 380 HA GLU 46 HA GLU 46 6.807 21.501 -5.187 381 HB2 GLU 46 HB2 GLU 46 7.458 19.202 -5.426 382 HB3 GLU 46 HB3 GLU 46 7.483 18.973 -3.683 383 HG2 GLU 46 HG2 GLU 46 5.101 19.179 -3.559 384 HG3 GLU 46 HG3 GLU 46 5.007 19.621 -5.263 385 H TYR 47 H TYR 47 7.461 20.412 -1.854 386 HA TYR 47 HA TYR 47 4.911 21.199 -0.879 387 HB2 TYR 47 HB2 TYR 47 6.511 19.475 0.128 388 HB3 TYR 47 HB3 TYR 47 7.382 20.843 0.812 389 HD1 TYR 47 HD1 TYR 47 4.066 19.173 0.748 390 HD2 TYR 47 HD2 TYR 47 6.650 21.857 2.801 391 HE1 TYR 47 HE1 TYR 47 2.515 19.197 2.657 392 HE2 TYR 47 HE2 TYR 47 5.107 21.888 4.716 393 HH TYR 47 HH TYR 47 2.064 20.056 4.653 394 H ARG 48 H ARG 48 7.937 22.834 -1.313 395 HA ARG 48 HA ARG 48 7.443 24.983 0.495 396 HB2 ARG 48 HB2 ARG 48 9.469 24.285 -1.520 397 HB3 ARG 48 HB3 ARG 48 9.193 26.012 -1.337 398 HG2 ARG 48 HG2 ARG 48 9.889 24.113 0.895 399 HG3 ARG 48 HG3 ARG 48 11.015 25.203 0.083 400 HD2 ARG 48 HD2 ARG 48 10.491 26.677 1.677 401 HD3 ARG 48 HD3 ARG 48 8.965 26.877 0.816 402 HE ARG 48 HE ARG 48 8.816 24.698 2.618 403 HH11 ARG 48 HH11 ARG 48 8.834 28.177 2.508 404 HH12 ARG 48 HH12 ARG 48 7.917 28.358 3.967 405 HH21 ARG 48 HH21 ARG 48 7.609 24.922 4.539 406 HH22 ARG 48 HH22 ARG 48 7.221 26.506 5.122 407 H THR 49 H THR 49 6.995 24.533 -2.989 408 HA THR 49 HA THR 49 6.047 27.183 -3.456 409 HB THR 49 HB THR 49 5.770 24.681 -5.132 410 HG1 THR 49 HG1 THR 49 7.798 25.133 -5.519 411 HG21 THR 49 HG21 THR 49 5.358 26.343 -6.987 412 HG22 THR 49 HG22 THR 49 5.120 27.562 -5.735 413 HG23 THR 49 HG23 THR 49 4.044 26.168 -5.824 414 H LEU 50 H LEU 50 4.467 24.035 -3.027 415 HA LEU 50 HA LEU 50 1.830 24.931 -3.451 416 HB2 LEU 50 HB2 LEU 50 3.152 22.525 -2.497 417 HB3 LEU 50 HB3 LEU 50 1.624 22.825 -1.671 418 HG LEU 50 HG LEU 50 0.866 23.155 -4.247 419 HD11 LEU 50 HD11 LEU 50 1.891 21.085 -5.378 420 HD12 LEU 50 HD12 LEU 50 3.208 21.287 -4.222 421 HD13 LEU 50 HD13 LEU 50 2.826 22.581 -5.358 422 HD21 LEU 50 HD21 LEU 50 -0.023 20.863 -4.091 423 HD22 LEU 50 HD22 LEU 50 -0.276 21.787 -2.610 424 HD23 LEU 50 HD23 LEU 50 1.006 20.577 -2.687 425 H LYS 51 H LYS 51 3.729 24.521 -0.481 426 HA LYS 51 HA LYS 51 1.678 25.326 1.293 427 HB2 LYS 51 HB2 LYS 51 3.671 24.054 2.002 428 HB3 LYS 51 HB3 LYS 51 4.677 25.457 1.666 429 HG2 LYS 51 HG2 LYS 51 2.404 25.829 3.528 430 HG3 LYS 51 HG3 LYS 51 3.786 24.889 4.098 431 HD2 LYS 51 HD2 LYS 51 5.150 26.691 4.161 432 HD3 LYS 51 HD3 LYS 51 4.437 27.411 2.716 433 HE2 LYS 51 HE2 LYS 51 2.509 27.394 4.833 434 HE3 LYS 51 HE3 LYS 51 4.007 28.124 5.408 435 HZ1 LYS 51 HZ1 LYS 51 2.135 29.465 4.084 436 HZ2 LYS 51 HZ2 LYS 51 3.106 28.984 2.786 437 HZ3 LYS 51 HZ3 LYS 51 3.774 29.885 4.052 438 H ARG 52 H ARG 52 4.456 27.094 -0.063 439 HA ARG 52 HA ARG 52 4.039 29.546 1.147 440 HB2 ARG 52 HB2 ARG 52 5.260 28.717 -1.457 441 HB3 ARG 52 HB3 ARG 52 5.046 30.428 -1.113 442 HG2 ARG 52 HG2 ARG 52 6.501 28.539 0.719 443 HG3 ARG 52 HG3 ARG 52 7.292 29.492 -0.539 444 HD2 ARG 52 HD2 ARG 52 5.663 30.604 1.743 445 HD3 ARG 52 HD3 ARG 52 7.424 30.567 1.668 446 HE ARG 52 HE ARG 52 6.518 31.878 -0.613 447 HH11 ARG 52 HH11 ARG 52 6.502 32.330 2.839 448 HH12 ARG 52 HH12 ARG 52 6.492 34.060 2.743 449 HH21 ARG 52 HH21 ARG 52 6.505 34.154 -0.752 450 HH22 ARG 52 HH22 ARG 52 6.493 35.097 0.700 451 H THR 53 H THR 53 2.828 28.486 -2.034 452 HA THR 53 HA THR 53 1.260 30.803 -2.478 453 HB THR 53 HB THR 53 0.631 28.139 -3.719 454 HG1 THR 53 HG1 THR 53 2.709 29.892 -4.573 455 HG21 THR 53 HG21 THR 53 -0.814 29.575 -4.708 456 HG22 THR 53 HG22 THR 53 0.589 29.973 -5.699 457 HG23 THR 53 HG23 THR 53 0.164 30.990 -4.323 458 H THR 54 H THR 54 0.099 27.472 -1.947 459 HA THR 54 HA THR 54 -2.064 28.571 -0.283 460 HB THR 54 HB THR 54 -2.399 26.483 -2.445 461 HG1 THR 54 HG1 THR 54 -3.812 28.919 -2.282 462 HG21 THR 54 HG21 THR 54 -4.894 26.964 -1.729 463 HG22 THR 54 HG22 THR 54 -4.135 27.359 -0.187 464 HG23 THR 54 HG23 THR 54 -3.922 25.756 -0.889 465 H GLY 55 H GLY 55 -1.258 27.850 1.648 466 HA2 GLY 55 HA2 GLY 55 -0.184 25.216 1.991 467 HA3 GLY 55 HA3 GLY 55 -0.548 26.367 3.268 468 H GLN 56 H GLN 56 -2.407 24.509 0.853 469 HA GLN 56 HA GLN 56 -4.576 24.155 2.720 470 HB2 GLN 56 HB2 GLN 56 -5.194 24.458 0.438 471 HB3 GLN 56 HB3 GLN 56 -4.099 23.190 -0.097 472 HG2 GLN 56 HG2 GLN 56 -5.623 21.608 0.215 473 HG3 GLN 56 HG3 GLN 56 -6.036 22.212 1.819 474 HE21 GLN 56 HE21 GLN 56 -6.525 22.880 -1.620 475 HE22 GLN 56 HE22 GLN 56 -8.135 23.484 -1.454 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.456 -0.541 -3.635 2 HA2 GLY 1 HA2 GLY 1 1.304 0.541 -1.616 3 HA3 GLY 1 HA3 GLY 1 1.954 -0.938 -0.924 4 H SER 2 H SER 2 2.760 2.215 -2.234 5 HA SER 2 HA SER 2 5.553 2.066 -1.866 6 HB2 SER 2 HB2 SER 2 4.796 4.756 -1.528 7 HB3 SER 2 HB3 SER 2 5.349 3.981 -3.012 8 HG SER 2 HG SER 2 3.113 5.069 -2.818 9 H MET 3 H MET 3 6.051 1.229 0.146 10 HA MET 3 HA MET 3 5.127 2.687 2.508 11 HB2 MET 3 HB2 MET 3 5.556 -0.020 2.007 12 HB3 MET 3 HB3 MET 3 6.906 0.452 3.032 13 HG2 MET 3 HG2 MET 3 5.511 0.055 4.721 14 HG3 MET 3 HG3 MET 3 4.811 1.620 4.313 15 HE1 MET 3 HE1 MET 3 2.048 0.735 5.316 16 HE2 MET 3 HE2 MET 3 2.728 1.992 4.282 17 HE3 MET 3 HE3 MET 3 1.371 1.019 3.712 18 H GLU 4 H GLU 4 8.180 1.480 1.119 19 HA GLU 4 HA GLU 4 9.913 2.730 2.907 20 HB2 GLU 4 HB2 GLU 4 11.606 2.541 1.072 21 HB3 GLU 4 HB3 GLU 4 10.754 1.045 1.431 22 HG2 GLU 4 HG2 GLU 4 9.233 1.566 -0.494 23 HG3 GLU 4 HG3 GLU 4 10.326 2.887 -0.904 24 H ARG 5 H ARG 5 8.675 3.887 -0.217 25 HA ARG 5 HA ARG 5 10.033 6.379 -0.114 26 HB2 ARG 5 HB2 ARG 5 9.083 5.224 -2.174 27 HB3 ARG 5 HB3 ARG 5 7.506 5.806 -1.657 28 HG2 ARG 5 HG2 ARG 5 7.884 7.768 -2.603 29 HG3 ARG 5 HG3 ARG 5 9.350 7.983 -1.645 30 HD2 ARG 5 HD2 ARG 5 10.705 7.331 -3.332 31 HD3 ARG 5 HD3 ARG 5 9.566 6.120 -3.918 32 HE ARG 5 HE ARG 5 8.371 8.441 -4.593 33 HH11 ARG 5 HH11 ARG 5 11.584 7.194 -5.089 34 HH12 ARG 5 HH12 ARG 5 11.828 8.050 -6.575 35 HH21 ARG 5 HH21 ARG 5 8.680 9.574 -6.549 36 HH22 ARG 5 HH22 ARG 5 10.176 9.404 -7.405 37 H LEU 6 H LEU 6 7.017 5.217 1.162 38 HA LEU 6 HA LEU 6 5.748 7.709 1.573 39 HB2 LEU 6 HB2 LEU 6 4.370 5.823 1.675 40 HB3 LEU 6 HB3 LEU 6 5.444 4.990 2.796 41 HG LEU 6 HG LEU 6 4.319 7.452 3.890 42 HD11 LEU 6 HD11 LEU 6 2.377 5.202 3.551 43 HD12 LEU 6 HD12 LEU 6 2.498 6.477 2.339 44 HD13 LEU 6 HD13 LEU 6 2.078 6.880 4.004 45 HD21 LEU 6 HD21 LEU 6 3.628 5.551 5.601 46 HD22 LEU 6 HD22 LEU 6 5.281 6.159 5.500 47 HD23 LEU 6 HD23 LEU 6 4.848 4.646 4.704 48 H ARG 7 H ARG 7 7.593 5.629 3.803 49 HA ARG 7 HA ARG 7 7.544 7.508 5.935 50 HB2 ARG 7 HB2 ARG 7 8.945 6.009 7.101 51 HB3 ARG 7 HB3 ARG 7 7.916 4.994 6.100 52 HG2 ARG 7 HG2 ARG 7 9.896 4.002 5.654 53 HG3 ARG 7 HG3 ARG 7 9.964 5.264 4.422 54 HD2 ARG 7 HD2 ARG 7 11.493 6.524 5.611 55 HD3 ARG 7 HD3 ARG 7 11.041 5.802 7.155 56 HE ARG 7 HE ARG 7 13.057 4.886 5.374 57 HH11 ARG 7 HH11 ARG 7 10.647 3.793 7.636 58 HH12 ARG 7 HH12 ARG 7 11.486 2.328 8.022 59 HH21 ARG 7 HH21 ARG 7 14.172 2.960 5.874 60 HH22 ARG 7 HH22 ARG 7 13.492 1.856 7.020 61 H ASP 8 H ASP 8 9.738 6.875 3.279 62 HA ASP 8 HA ASP 8 11.894 8.455 4.254 63 HB2 ASP 8 HB2 ASP 8 11.189 7.503 1.474 64 HB3 ASP 8 HB3 ASP 8 12.673 8.368 1.861 65 H VAL 9 H VAL 9 9.445 9.071 1.735 66 HA VAL 9 HA VAL 9 10.177 11.746 1.265 67 HB VAL 9 HB VAL 9 7.531 10.354 0.838 68 HG11 VAL 9 HG11 VAL 9 7.031 12.667 0.938 69 HG12 VAL 9 HG12 VAL 9 8.468 13.090 0.003 70 HG13 VAL 9 HG13 VAL 9 7.124 12.252 -0.774 71 HG21 VAL 9 HG21 VAL 9 9.715 9.664 -0.391 72 HG22 VAL 9 HG22 VAL 9 8.230 9.887 -1.317 73 HG23 VAL 9 HG23 VAL 9 9.459 11.152 -1.304 74 H ARG 10 H ARG 10 7.761 10.314 3.425 75 HA ARG 10 HA ARG 10 6.638 12.735 4.328 76 HB2 ARG 10 HB2 ARG 10 5.634 10.458 4.618 77 HB3 ARG 10 HB3 ARG 10 6.837 10.138 5.859 78 HG2 ARG 10 HG2 ARG 10 5.839 12.411 6.831 79 HG3 ARG 10 HG3 ARG 10 4.424 11.839 5.946 80 HD2 ARG 10 HD2 ARG 10 4.022 10.741 7.880 81 HD3 ARG 10 HD3 ARG 10 5.130 9.564 7.176 82 HE ARG 10 HE ARG 10 6.498 11.550 8.701 83 HH11 ARG 10 HH11 ARG 10 4.658 8.603 8.936 84 HH12 ARG 10 HH12 ARG 10 5.373 8.123 10.439 85 HH21 ARG 10 HH21 ARG 10 7.447 10.929 10.680 86 HH22 ARG 10 HH22 ARG 10 6.959 9.447 11.431 87 H GLU 11 H GLU 11 9.202 10.686 5.695 88 HA GLU 11 HA GLU 11 9.698 12.322 7.947 89 HB2 GLU 11 HB2 GLU 11 10.394 9.927 7.702 90 HB3 GLU 11 HB3 GLU 11 11.641 10.455 6.581 91 HG2 GLU 11 HG2 GLU 11 12.659 10.153 8.700 92 HG3 GLU 11 HG3 GLU 11 12.567 11.887 8.398 93 H ARG 12 H ARG 12 11.163 12.163 4.730 94 HA ARG 12 HA ARG 12 13.241 13.990 5.157 95 HB2 ARG 12 HB2 ARG 12 11.772 13.005 2.749 96 HB3 ARG 12 HB3 ARG 12 12.847 14.385 2.576 97 HG2 ARG 12 HG2 ARG 12 14.589 12.884 3.747 98 HG3 ARG 12 HG3 ARG 12 13.505 11.563 3.305 99 HD2 ARG 12 HD2 ARG 12 14.237 11.590 1.207 100 HD3 ARG 12 HD3 ARG 12 13.903 13.315 1.064 101 HE ARG 12 HE ARG 12 16.137 13.694 1.280 102 HH11 ARG 12 HH11 ARG 12 15.412 10.579 2.654 103 HH12 ARG 12 HH12 ARG 12 17.069 10.192 2.980 104 HH21 ARG 12 HH21 ARG 12 18.322 13.197 1.706 105 HH22 ARG 12 HH22 ARG 12 18.723 11.682 2.442 106 H LEU 13 H LEU 13 9.931 14.503 3.978 107 HA LEU 13 HA LEU 13 10.173 17.279 3.557 108 HB2 LEU 13 HB2 LEU 13 8.228 15.354 3.165 109 HB3 LEU 13 HB3 LEU 13 7.518 16.421 4.374 110 HG LEU 13 HG LEU 13 8.559 17.301 1.682 111 HD11 LEU 13 HD11 LEU 13 6.365 17.360 0.906 112 HD12 LEU 13 HD12 LEU 13 5.685 17.218 2.527 113 HD13 LEU 13 HD13 LEU 13 6.461 15.826 1.771 114 HD21 LEU 13 HD21 LEU 13 6.736 18.946 3.343 115 HD22 LEU 13 HD22 LEU 13 8.011 19.438 2.228 116 HD23 LEU 13 HD23 LEU 13 8.426 18.851 3.839 117 H GLN 14 H GLN 14 8.817 15.449 6.295 118 HA GLN 14 HA GLN 14 8.066 17.556 7.910 119 HB2 GLN 14 HB2 GLN 14 9.218 14.879 8.705 120 HB3 GLN 14 HB3 GLN 14 8.445 15.993 9.824 121 HG2 GLN 14 HG2 GLN 14 6.877 15.287 7.436 122 HG3 GLN 14 HG3 GLN 14 7.171 13.981 8.583 123 HE21 GLN 14 HE21 GLN 14 6.589 14.396 10.833 124 HE22 GLN 14 HE22 GLN 14 5.225 15.401 11.168 125 H ALA 15 H ALA 15 11.126 15.754 8.271 126 HA ALA 15 HA ALA 15 12.351 17.493 10.048 127 HB1 ALA 15 HB1 ALA 15 13.717 15.837 7.929 128 HB2 ALA 15 HB2 ALA 15 14.449 16.468 9.405 129 HB3 ALA 15 HB3 ALA 15 13.185 15.243 9.502 130 H TRP 16 H TRP 16 12.353 17.543 6.508 131 HA TRP 16 HA TRP 16 14.222 19.522 6.044 132 HB2 TRP 16 HB2 TRP 16 13.303 18.348 4.183 133 HB3 TRP 16 HB3 TRP 16 11.665 18.858 4.584 134 HD1 TRP 16 HD1 TRP 16 10.857 20.530 2.837 135 HE1 TRP 16 HE1 TRP 16 11.882 22.514 1.556 136 HE3 TRP 16 HE3 TRP 16 15.634 20.279 4.639 137 HZ2 TRP 16 HZ2 TRP 16 14.384 23.801 1.339 138 HZ3 TRP 16 HZ3 TRP 16 17.283 21.923 3.844 139 HH2 TRP 16 HH2 TRP 16 16.669 23.647 2.228 140 H GLU 17 H GLU 17 10.745 20.228 5.799 141 HA GLU 17 HA GLU 17 10.937 22.967 6.056 142 HB2 GLU 17 HB2 GLU 17 8.580 22.974 6.586 143 HB3 GLU 17 HB3 GLU 17 8.893 21.738 5.375 144 HG2 GLU 17 HG2 GLU 17 8.730 20.001 7.003 145 HG3 GLU 17 HG3 GLU 17 8.650 21.172 8.318 146 H ARG 18 H ARG 18 10.980 20.517 8.540 147 HA ARG 18 HA ARG 18 10.398 22.060 10.787 148 HB2 ARG 18 HB2 ARG 18 11.673 19.485 10.243 149 HB3 ARG 18 HB3 ARG 18 12.304 20.276 11.682 150 HG2 ARG 18 HG2 ARG 18 9.391 19.730 11.152 151 HG3 ARG 18 HG3 ARG 18 10.445 18.740 12.163 152 HD2 ARG 18 HD2 ARG 18 10.850 21.240 13.188 153 HD3 ARG 18 HD3 ARG 18 9.148 21.302 12.732 154 HE ARG 18 HE ARG 18 9.483 18.927 14.089 155 HH11 ARG 18 HH11 ARG 18 9.906 22.317 14.763 156 HH12 ARG 18 HH12 ARG 18 9.563 22.157 16.454 157 HH21 ARG 18 HH21 ARG 18 9.029 18.704 16.314 158 HH22 ARG 18 HH22 ARG 18 9.065 20.102 17.335 159 H ALA 19 H ALA 19 13.699 20.963 10.052 160 HA ALA 19 HA ALA 19 14.930 22.999 11.560 161 HB1 ALA 19 HB1 ALA 19 16.513 21.826 9.374 162 HB2 ALA 19 HB2 ALA 19 16.857 21.928 11.101 163 HB3 ALA 19 HB3 ALA 19 15.782 20.671 10.489 164 H PHE 20 H PHE 20 13.937 22.814 8.216 165 HA PHE 20 HA PHE 20 15.451 24.867 7.110 166 HB2 PHE 20 HB2 PHE 20 14.182 23.532 5.624 167 HB3 PHE 20 HB3 PHE 20 12.683 23.850 6.492 168 HD1 PHE 20 HD1 PHE 20 15.211 25.315 4.245 169 HD2 PHE 20 HD2 PHE 20 11.358 25.746 6.002 170 HE1 PHE 20 HE1 PHE 20 14.717 27.166 2.701 171 HE2 PHE 20 HE2 PHE 20 10.858 27.597 4.460 172 HZ PHE 20 HZ PHE 20 12.538 28.308 2.806 173 H ARG 21 H ARG 21 12.051 25.176 8.149 174 HA ARG 21 HA ARG 21 12.141 28.013 8.184 175 HB2 ARG 21 HB2 ARG 21 10.035 26.906 7.831 176 HB3 ARG 21 HB3 ARG 21 10.174 26.046 9.358 177 HG2 ARG 21 HG2 ARG 21 9.445 27.800 10.568 178 HG3 ARG 21 HG3 ARG 21 10.243 28.985 9.531 179 HD2 ARG 21 HD2 ARG 21 8.245 29.440 8.665 180 HD3 ARG 21 HD3 ARG 21 8.279 27.840 7.926 181 HE ARG 21 HE ARG 21 6.651 27.203 9.386 182 HH11 ARG 21 HH11 ARG 21 8.287 29.981 10.699 183 HH12 ARG 21 HH12 ARG 21 7.222 30.129 12.058 184 HH21 ARG 21 HH21 ARG 21 5.243 27.386 11.171 185 HH22 ARG 21 HH22 ARG 21 5.492 28.651 12.326 186 H ARG 22 H ARG 22 13.341 25.713 10.317 187 HA ARG 22 HA ARG 22 12.913 27.115 12.775 188 HB2 ARG 22 HB2 ARG 22 13.271 24.705 12.772 189 HB3 ARG 22 HB3 ARG 22 14.863 24.920 12.058 190 HG2 ARG 22 HG2 ARG 22 14.555 26.435 14.509 191 HG3 ARG 22 HG3 ARG 22 14.280 24.708 14.745 192 HD2 ARG 22 HD2 ARG 22 16.627 25.548 13.126 193 HD3 ARG 22 HD3 ARG 22 16.702 25.773 14.873 194 HE ARG 22 HE ARG 22 16.845 23.295 13.446 195 HH11 ARG 22 HH11 ARG 22 15.923 24.784 16.456 196 HH12 ARG 22 HH12 ARG 22 16.127 23.335 17.385 197 HH21 ARG 22 HH21 ARG 22 17.117 21.382 14.659 198 HH22 ARG 22 HH22 ARG 22 16.807 21.402 16.362 199 H GLN 23 H GLN 23 15.676 26.736 10.573 200 HA GLN 23 HA GLN 23 17.134 28.794 12.054 201 HB2 GLN 23 HB2 GLN 23 19.059 28.144 10.682 202 HB3 GLN 23 HB3 GLN 23 18.357 26.754 11.499 203 HG2 GLN 23 HG2 GLN 23 17.023 26.627 9.179 204 HG3 GLN 23 HG3 GLN 23 18.514 27.388 8.626 205 HE21 GLN 23 HE21 GLN 23 19.047 25.545 7.431 206 HE22 GLN 23 HE22 GLN 23 19.642 24.111 8.190 207 H ARG 24 H ARG 24 15.824 28.123 8.843 208 HA ARG 24 HA ARG 24 16.750 30.574 7.697 209 HB2 ARG 24 HB2 ARG 24 14.508 28.816 6.696 210 HB3 ARG 24 HB3 ARG 24 15.461 29.962 5.764 211 HG2 ARG 24 HG2 ARG 24 17.232 28.098 6.979 212 HG3 ARG 24 HG3 ARG 24 15.933 27.210 6.180 213 HD2 ARG 24 HD2 ARG 24 16.562 27.885 4.110 214 HD3 ARG 24 HD3 ARG 24 17.106 29.464 4.674 215 HE ARG 24 HE ARG 24 18.806 27.357 5.574 216 HH11 ARG 24 HH11 ARG 24 18.056 29.387 2.847 217 HH12 ARG 24 HH12 ARG 24 19.643 29.273 2.160 218 HH21 ARG 24 HH21 ARG 24 20.899 27.200 4.680 219 HH22 ARG 24 HH22 ARG 24 21.259 28.029 3.203 220 H GLY 25 H GLY 25 13.476 29.415 8.539 221 HA2 GLY 25 HA2 GLY 25 11.628 30.558 9.288 222 HA3 GLY 25 HA3 GLY 25 12.713 31.860 9.752 223 H ARG 26 H ARG 26 12.259 30.568 6.500 224 HA ARG 26 HA ARG 26 10.396 32.380 5.530 225 HB2 ARG 26 HB2 ARG 26 12.818 33.673 6.127 226 HB3 ARG 26 HB3 ARG 26 12.795 33.497 4.378 227 HG2 ARG 26 HG2 ARG 26 10.585 34.576 4.319 228 HG3 ARG 26 HG3 ARG 26 10.671 34.800 6.067 229 HD2 ARG 26 HD2 ARG 26 11.764 36.705 5.743 230 HD3 ARG 26 HD3 ARG 26 13.078 35.800 4.993 231 HE ARG 26 HE ARG 26 11.117 36.155 3.059 232 HH11 ARG 26 HH11 ARG 26 13.261 38.117 4.976 233 HH12 ARG 26 HH12 ARG 26 13.379 39.376 3.792 234 HH21 ARG 26 HH21 ARG 26 11.265 37.805 1.492 235 HH22 ARG 26 HH22 ARG 26 12.242 39.198 1.810 236 H ARG 27 H ARG 27 11.231 32.919 2.992 237 HA ARG 27 HA ARG 27 10.955 30.453 1.699 238 HB2 ARG 27 HB2 ARG 27 11.102 33.200 0.954 239 HB3 ARG 27 HB3 ARG 27 12.210 32.300 -0.073 240 HG2 ARG 27 HG2 ARG 27 9.862 30.780 0.020 241 HG3 ARG 27 HG3 ARG 27 9.350 32.458 -0.177 242 HD2 ARG 27 HD2 ARG 27 10.993 32.648 -2.054 243 HD3 ARG 27 HD3 ARG 27 11.268 30.912 -1.913 244 HE ARG 27 HE ARG 27 9.302 30.561 -3.018 245 HH11 ARG 27 HH11 ARG 27 9.329 33.817 -1.788 246 HH12 ARG 27 HH12 ARG 27 7.859 34.270 -2.585 247 HH21 ARG 27 HH21 ARG 27 7.365 31.145 -4.073 248 HH22 ARG 27 HH22 ARG 27 6.743 32.749 -3.884 249 HA PRO 28 HA PRO 28 15.016 28.777 1.577 250 HB2 PRO 28 HB2 PRO 28 14.868 27.343 -0.723 251 HB3 PRO 28 HB3 PRO 28 14.049 26.857 0.766 252 HG2 PRO 28 HG2 PRO 28 12.943 28.270 -1.630 253 HG3 PRO 28 HG3 PRO 28 12.234 26.949 -0.685 254 HD2 PRO 28 HD2 PRO 28 11.487 29.532 -0.366 255 HD3 PRO 28 HD3 PRO 28 11.489 28.366 0.973 256 H SER 29 H SER 29 16.965 28.624 0.191 257 HA SER 29 HA SER 29 17.089 30.818 -1.773 258 HB2 SER 29 HB2 SER 29 19.584 30.170 -0.335 259 HB3 SER 29 HB3 SER 29 18.910 31.739 -0.777 260 HG SER 29 HG SER 29 18.923 31.380 1.497 261 H GLN 30 H GLN 30 18.802 30.606 -3.381 262 HA GLN 30 HA GLN 30 18.783 28.129 -4.661 263 HB2 GLN 30 HB2 GLN 30 19.628 30.679 -5.295 264 HB3 GLN 30 HB3 GLN 30 21.126 29.759 -5.292 265 HG2 GLN 30 HG2 GLN 30 20.283 28.247 -6.934 266 HG3 GLN 30 HG3 GLN 30 18.672 28.954 -6.830 267 HE21 GLN 30 HE21 GLN 30 18.188 30.690 -8.042 268 HE22 GLN 30 HE22 GLN 30 19.295 31.485 -9.103 269 H ASP 31 H ASP 31 20.739 29.279 -2.090 270 HA ASP 31 HA ASP 31 22.993 27.586 -2.498 271 HB2 ASP 31 HB2 ASP 31 21.958 29.195 -0.184 272 HB3 ASP 31 HB3 ASP 31 23.300 28.077 0.042 273 H ASP 32 H ASP 32 20.134 27.369 -0.397 274 HA ASP 32 HA ASP 32 20.857 24.724 0.503 275 HB2 ASP 32 HB2 ASP 32 19.161 26.779 1.428 276 HB3 ASP 32 HB3 ASP 32 18.116 25.407 1.067 277 H VAL 33 H VAL 33 18.716 26.156 -1.865 278 HA VAL 33 HA VAL 33 17.185 23.823 -2.402 279 HB VAL 33 HB VAL 33 17.706 26.235 -4.145 280 HG11 VAL 33 HG11 VAL 33 15.472 25.435 -5.162 281 HG12 VAL 33 HG12 VAL 33 16.961 24.619 -5.642 282 HG13 VAL 33 HG13 VAL 33 15.889 23.874 -4.456 283 HG21 VAL 33 HG21 VAL 33 15.051 26.024 -3.074 284 HG22 VAL 33 HG22 VAL 33 16.236 25.977 -1.769 285 HG23 VAL 33 HG23 VAL 33 16.224 27.329 -2.900 286 H GLU 34 H GLU 34 19.933 25.330 -4.094 287 HA GLU 34 HA GLU 34 20.164 23.179 -5.972 288 HB2 GLU 34 HB2 GLU 34 20.933 25.704 -6.123 289 HB3 GLU 34 HB3 GLU 34 22.421 25.061 -5.442 290 HG2 GLU 34 HG2 GLU 34 21.560 23.401 -7.607 291 HG3 GLU 34 HG3 GLU 34 21.618 25.084 -8.128 292 H ALA 35 H ALA 35 20.951 23.437 -2.759 293 HA ALA 35 HA ALA 35 23.456 22.059 -2.736 294 HB1 ALA 35 HB1 ALA 35 22.359 21.657 -0.247 295 HB2 ALA 35 HB2 ALA 35 23.369 23.023 -0.724 296 HB3 ALA 35 HB3 ALA 35 21.612 23.166 -0.773 297 H ALA 36 H ALA 36 20.077 21.111 -2.514 298 HA ALA 36 HA ALA 36 20.738 18.346 -1.954 299 HB1 ALA 36 HB1 ALA 36 17.988 18.900 -2.751 300 HB2 ALA 36 HB2 ALA 36 18.615 18.145 -1.285 301 HB3 ALA 36 HB3 ALA 36 18.548 19.903 -1.412 302 HA PRO 37 HA PRO 37 20.784 16.785 -6.055 303 HB2 PRO 37 HB2 PRO 37 19.461 14.429 -5.797 304 HB3 PRO 37 HB3 PRO 37 21.086 14.694 -5.154 305 HG2 PRO 37 HG2 PRO 37 18.450 14.779 -3.737 306 HG3 PRO 37 HG3 PRO 37 19.980 14.053 -3.211 307 HD2 PRO 37 HD2 PRO 37 19.129 16.464 -2.319 308 HD3 PRO 37 HD3 PRO 37 20.849 16.074 -2.524 309 H GLU 38 H GLU 38 19.260 15.662 -7.735 310 HA GLU 38 HA GLU 38 17.232 17.465 -8.399 311 HB2 GLU 38 HB2 GLU 38 16.549 15.748 -10.083 312 HB3 GLU 38 HB3 GLU 38 18.260 16.150 -10.117 313 HG2 GLU 38 HG2 GLU 38 18.667 14.111 -8.715 314 HG3 GLU 38 HG3 GLU 38 16.977 13.683 -8.979 315 H GLU 39 H GLU 39 17.014 14.211 -6.987 316 HA GLU 39 HA GLU 39 14.228 14.038 -6.871 317 HB2 GLU 39 HB2 GLU 39 16.437 12.770 -5.281 318 HB3 GLU 39 HB3 GLU 39 14.755 12.478 -4.862 319 HG2 GLU 39 HG2 GLU 39 14.766 12.018 -7.555 320 HG3 GLU 39 HG3 GLU 39 16.352 11.427 -7.062 321 H THR 40 H THR 40 16.460 14.882 -4.216 322 HA THR 40 HA THR 40 14.548 15.613 -2.344 323 HB THR 40 HB THR 40 17.240 16.954 -2.620 324 HG1 THR 40 HG1 THR 40 16.546 14.419 -1.519 325 HG21 THR 40 HG21 THR 40 16.717 16.442 0.043 326 HG22 THR 40 HG22 THR 40 15.142 16.910 -0.599 327 HG23 THR 40 HG23 THR 40 16.522 17.994 -0.771 328 H ARG 41 H ARG 41 16.167 17.624 -4.781 329 HA ARG 41 HA ARG 41 15.120 20.095 -4.064 330 HB2 ARG 41 HB2 ARG 41 16.166 18.912 -6.587 331 HB3 ARG 41 HB3 ARG 41 15.282 20.427 -6.704 332 HG2 ARG 41 HG2 ARG 41 16.829 21.521 -5.247 333 HG3 ARG 41 HG3 ARG 41 17.639 19.995 -4.886 334 HD2 ARG 41 HD2 ARG 41 19.015 20.370 -6.588 335 HD3 ARG 41 HD3 ARG 41 17.639 20.253 -7.685 336 HE ARG 41 HE ARG 41 17.886 22.844 -6.498 337 HH11 ARG 41 HH11 ARG 41 19.046 20.782 -9.052 338 HH12 ARG 41 HH12 ARG 41 19.506 22.097 -10.082 339 HH21 ARG 41 HH21 ARG 41 18.488 24.584 -7.845 340 HH22 ARG 41 HH22 ARG 41 19.190 24.259 -9.394 341 H ALA 42 H ALA 42 13.783 17.647 -6.259 342 HA ALA 42 HA ALA 42 11.520 19.072 -7.082 343 HB1 ALA 42 HB1 ALA 42 11.688 16.084 -6.738 344 HB2 ALA 42 HB2 ALA 42 10.640 16.983 -7.836 345 HB3 ALA 42 HB3 ALA 42 12.383 16.961 -8.102 346 H LEU 43 H LEU 43 11.882 16.721 -4.432 347 HA LEU 43 HA LEU 43 9.240 16.856 -3.505 348 HB2 LEU 43 HB2 LEU 43 11.643 16.369 -1.767 349 HB3 LEU 43 HB3 LEU 43 10.003 15.761 -1.548 350 HG LEU 43 HG LEU 43 11.350 14.912 -4.029 351 HD11 LEU 43 HD11 LEU 43 12.715 14.705 -1.524 352 HD12 LEU 43 HD12 LEU 43 13.212 14.134 -3.116 353 HD13 LEU 43 HD13 LEU 43 12.238 13.098 -2.073 354 HD21 LEU 43 HD21 LEU 43 9.604 13.685 -1.918 355 HD22 LEU 43 HD22 LEU 43 10.390 12.709 -3.159 356 HD23 LEU 43 HD23 LEU 43 9.246 13.970 -3.622 357 H TYR 44 H TYR 44 12.146 18.579 -2.385 358 HA TYR 44 HA TYR 44 10.915 20.081 -0.375 359 HB2 TYR 44 HB2 TYR 44 13.366 20.577 -2.057 360 HB3 TYR 44 HB3 TYR 44 12.860 21.695 -0.795 361 HD1 TYR 44 HD2 TYR 44 11.926 18.489 0.220 362 HD2 TYR 44 HD1 TYR 44 15.355 20.976 -0.172 363 HE1 TYR 44 HE2 TYR 44 13.099 17.125 1.897 364 HE2 TYR 44 HE1 TYR 44 16.539 19.618 1.503 365 HH TYR 44 HH TYR 44 15.356 16.599 2.589 366 H ARG 45 H ARG 45 11.722 21.080 -3.704 367 HA ARG 45 HA ARG 45 10.458 23.579 -3.588 368 HB2 ARG 45 HB2 ARG 45 12.045 22.391 -5.394 369 HB3 ARG 45 HB3 ARG 45 10.495 22.138 -6.184 370 HG2 ARG 45 HG2 ARG 45 10.974 24.141 -7.095 371 HG3 ARG 45 HG3 ARG 45 10.261 24.737 -5.594 372 HD2 ARG 45 HD2 ARG 45 12.220 25.925 -5.625 373 HD3 ARG 45 HD3 ARG 45 12.719 24.506 -4.707 374 HE ARG 45 HE ARG 45 14.133 23.952 -6.414 375 HH11 ARG 45 HH11 ARG 45 11.787 26.242 -7.588 376 HH12 ARG 45 HH12 ARG 45 12.557 26.438 -9.128 377 HH21 ARG 45 HH21 ARG 45 15.155 24.202 -8.438 378 HH22 ARG 45 HH22 ARG 45 14.472 25.277 -9.611 379 H GLU 46 H GLU 46 9.193 20.389 -4.026 380 HA GLU 46 HA GLU 46 6.741 21.093 -5.267 381 HB2 GLU 46 HB2 GLU 46 7.894 18.692 -3.993 382 HB3 GLU 46 HB3 GLU 46 6.140 18.793 -3.956 383 HG2 GLU 46 HG2 GLU 46 7.756 19.099 -6.470 384 HG3 GLU 46 HG3 GLU 46 7.118 17.556 -5.902 385 H TYR 47 H TYR 47 7.327 20.009 -1.917 386 HA TYR 47 HA TYR 47 4.801 20.849 -0.974 387 HB2 TYR 47 HB2 TYR 47 6.475 19.161 0.059 388 HB3 TYR 47 HB3 TYR 47 7.213 20.577 0.800 389 HD1 TYR 47 HD1 TYR 47 4.200 18.471 0.686 390 HD2 TYR 47 HD2 TYR 47 6.130 21.742 2.603 391 HE1 TYR 47 HE1 TYR 47 2.547 18.373 2.504 392 HE2 TYR 47 HE2 TYR 47 4.483 21.653 4.427 393 HH TYR 47 HH TYR 47 2.887 20.292 5.402 394 H ARG 48 H ARG 48 7.821 22.490 -1.411 395 HA ARG 48 HA ARG 48 7.282 24.670 0.356 396 HB2 ARG 48 HB2 ARG 48 9.569 23.985 -0.389 397 HB3 ARG 48 HB3 ARG 48 9.181 24.592 -1.993 398 HG2 ARG 48 HG2 ARG 48 10.377 26.324 -1.015 399 HG3 ARG 48 HG3 ARG 48 8.694 26.818 -0.819 400 HD2 ARG 48 HD2 ARG 48 9.500 25.212 1.413 401 HD3 ARG 48 HD3 ARG 48 10.658 26.520 1.175 402 HE ARG 48 HE ARG 48 8.305 27.808 1.032 403 HH11 ARG 48 HH11 ARG 48 9.587 25.525 3.327 404 HH12 ARG 48 HH12 ARG 48 8.703 26.177 4.667 405 HH21 ARG 48 HH21 ARG 48 7.136 28.676 2.788 406 HH22 ARG 48 HH22 ARG 48 7.309 27.969 4.359 407 H THR 49 H THR 49 7.014 24.192 -3.150 408 HA THR 49 HA THR 49 6.091 26.810 -3.722 409 HB THR 49 HB THR 49 5.777 24.246 -5.294 410 HG1 THR 49 HG1 THR 49 7.942 25.270 -4.866 411 HG21 THR 49 HG21 THR 49 4.125 25.584 -6.218 412 HG22 THR 49 HG22 THR 49 5.527 26.005 -7.201 413 HG23 THR 49 HG23 THR 49 5.010 27.075 -5.898 414 H LEU 50 H LEU 50 4.451 23.766 -3.010 415 HA LEU 50 HA LEU 50 1.828 24.742 -3.542 416 HB2 LEU 50 HB2 LEU 50 2.791 22.384 -1.932 417 HB3 LEU 50 HB3 LEU 50 1.099 22.708 -2.306 418 HG LEU 50 HG LEU 50 3.063 22.431 -4.539 419 HD11 LEU 50 HD11 LEU 50 3.077 20.496 -2.700 420 HD12 LEU 50 HD12 LEU 50 3.231 20.177 -4.428 421 HD13 LEU 50 HD13 LEU 50 1.669 19.986 -3.632 422 HD21 LEU 50 HD21 LEU 50 0.306 22.830 -4.316 423 HD22 LEU 50 HD22 LEU 50 0.500 21.152 -4.825 424 HD23 LEU 50 HD23 LEU 50 1.219 22.451 -5.777 425 H LYS 51 H LYS 51 3.798 24.414 -0.627 426 HA LYS 51 HA LYS 51 1.740 25.297 1.150 427 HB2 LYS 51 HB2 LYS 51 3.637 23.870 1.868 428 HB3 LYS 51 HB3 LYS 51 4.733 25.216 1.580 429 HG2 LYS 51 HG2 LYS 51 2.649 26.128 3.276 430 HG3 LYS 51 HG3 LYS 51 3.259 24.601 3.918 431 HD2 LYS 51 HD2 LYS 51 5.542 25.486 3.840 432 HD3 LYS 51 HD3 LYS 51 4.929 27.012 3.200 433 HE2 LYS 51 HE2 LYS 51 4.844 27.667 5.338 434 HE3 LYS 51 HE3 LYS 51 3.401 26.661 5.444 435 HZ1 LYS 51 HZ1 LYS 51 4.438 25.415 6.929 436 HZ2 LYS 51 HZ2 LYS 51 5.838 26.355 6.795 437 HZ3 LYS 51 HZ3 LYS 51 5.624 25.010 5.792 438 H ARG 52 H ARG 52 4.183 26.851 -0.772 439 HA ARG 52 HA ARG 52 4.058 29.366 0.614 440 HB2 ARG 52 HB2 ARG 52 5.373 28.378 -1.888 441 HB3 ARG 52 HB3 ARG 52 5.238 30.109 -1.608 442 HG2 ARG 52 HG2 ARG 52 6.543 28.147 0.267 443 HG3 ARG 52 HG3 ARG 52 7.393 29.192 -0.874 444 HD2 ARG 52 HD2 ARG 52 5.761 30.000 1.522 445 HD3 ARG 52 HD3 ARG 52 7.483 30.258 1.248 446 HE ARG 52 HE ARG 52 6.343 31.599 -0.796 447 HH11 ARG 52 HH11 ARG 52 5.814 31.619 2.644 448 HH12 ARG 52 HH12 ARG 52 5.317 33.278 2.690 449 HH21 ARG 52 HH21 ARG 52 5.691 33.784 -0.750 450 HH22 ARG 52 HH22 ARG 52 5.246 34.509 0.758 451 H THR 53 H THR 53 2.688 28.015 -2.351 452 HA THR 53 HA THR 53 1.371 30.461 -3.087 453 HB THR 53 HB THR 53 2.077 28.782 -4.775 454 HG1 THR 53 HG1 THR 53 -0.731 29.283 -4.686 455 HG21 THR 53 HG21 THR 53 1.285 26.836 -3.271 456 HG22 THR 53 HG22 THR 53 1.056 26.697 -5.014 457 HG23 THR 53 HG23 THR 53 -0.302 27.136 -3.978 458 H THR 54 H THR 54 0.526 27.547 -1.340 459 HA THR 54 HA THR 54 -2.284 28.290 -1.209 460 HB THR 54 HB THR 54 -0.831 25.946 0.034 461 HG1 THR 54 HG1 THR 54 -2.546 26.071 -2.243 462 HG21 THR 54 HG21 THR 54 -3.656 26.874 0.123 463 HG22 THR 54 HG22 THR 54 -2.700 26.042 1.350 464 HG23 THR 54 HG23 THR 54 -3.359 25.141 -0.015 465 H GLY 55 H GLY 55 0.592 28.649 0.636 466 HA2 GLY 55 HA2 GLY 55 0.987 29.766 2.606 467 HA3 GLY 55 HA3 GLY 55 -0.677 30.327 2.540 468 H GLN 56 H GLN 56 0.523 26.999 2.710 469 HA GLN 56 HA GLN 56 0.186 25.335 4.223 470 HB2 GLN 56 HB2 GLN 56 1.268 27.165 5.697 471 HB3 GLN 56 HB3 GLN 56 -0.355 27.409 6.329 472 HG2 GLN 56 HG2 GLN 56 0.543 24.618 6.286 473 HG3 GLN 56 HG3 GLN 56 1.460 25.683 7.351 474 HE21 GLN 56 HE21 GLN 56 -1.014 23.601 7.298 475 HE22 GLN 56 HE22 GLN 56 -1.978 24.225 8.588 Start of MODEL 8 1 H1 GLY 1 H GLY 1 9.113 -1.816 -1.573 2 HA2 GLY 1 HA2 GLY 1 9.984 0.570 -2.381 3 HA3 GLY 1 HA3 GLY 1 8.740 -0.280 -3.285 4 H SER 2 H SER 2 6.462 0.026 -2.243 5 HA SER 2 HA SER 2 5.781 2.729 -2.520 6 HB2 SER 2 HB2 SER 2 3.622 1.748 -1.214 7 HB3 SER 2 HB3 SER 2 3.922 1.481 -2.931 8 HG SER 2 HG SER 2 3.476 -0.413 -1.467 9 H MET 3 H MET 3 5.796 0.713 0.423 10 HA MET 3 HA MET 3 5.214 2.802 2.210 11 HB2 MET 3 HB2 MET 3 5.293 0.164 2.494 12 HB3 MET 3 HB3 MET 3 6.906 0.514 3.103 13 HG2 MET 3 HG2 MET 3 4.887 2.256 4.246 14 HG3 MET 3 HG3 MET 3 4.565 0.550 4.548 15 HE1 MET 3 HE1 MET 3 6.673 -1.048 5.108 16 HE2 MET 3 HE2 MET 3 7.516 -0.668 6.610 17 HE3 MET 3 HE3 MET 3 5.753 -0.745 6.582 18 H GLU 4 H GLU 4 8.293 1.457 1.095 19 HA GLU 4 HA GLU 4 10.040 2.795 2.768 20 HB2 GLU 4 HB2 GLU 4 10.730 1.062 1.165 21 HB3 GLU 4 HB3 GLU 4 10.430 2.173 -0.164 22 HG2 GLU 4 HG2 GLU 4 12.550 2.784 -0.014 23 HG3 GLU 4 HG3 GLU 4 12.149 3.554 1.521 24 H ARG 5 H ARG 5 8.811 3.882 -0.393 25 HA ARG 5 HA ARG 5 10.089 6.396 -0.342 26 HB2 ARG 5 HB2 ARG 5 7.576 5.562 -1.804 27 HB3 ARG 5 HB3 ARG 5 8.523 7.005 -2.142 28 HG2 ARG 5 HG2 ARG 5 9.895 4.372 -2.225 29 HG3 ARG 5 HG3 ARG 5 8.812 4.803 -3.550 30 HD2 ARG 5 HD2 ARG 5 10.283 6.248 -4.400 31 HD3 ARG 5 HD3 ARG 5 10.572 6.989 -2.827 32 HE ARG 5 HE ARG 5 11.859 4.445 -3.130 33 HH11 ARG 5 HH11 ARG 5 12.122 7.859 -3.755 34 HH12 ARG 5 HH12 ARG 5 13.853 7.846 -3.822 35 HH21 ARG 5 HH21 ARG 5 14.138 4.414 -3.216 36 HH22 ARG 5 HH22 ARG 5 14.999 5.886 -3.517 37 H LEU 6 H LEU 6 7.026 5.259 0.919 38 HA LEU 6 HA LEU 6 5.817 7.751 1.401 39 HB2 LEU 6 HB2 LEU 6 4.973 5.236 1.598 40 HB3 LEU 6 HB3 LEU 6 5.350 5.517 3.297 41 HG LEU 6 HG LEU 6 3.667 7.551 1.959 42 HD11 LEU 6 HD11 LEU 6 1.814 5.700 2.830 43 HD12 LEU 6 HD12 LEU 6 2.994 4.728 1.950 44 HD13 LEU 6 HD13 LEU 6 2.199 6.085 1.152 45 HD21 LEU 6 HD21 LEU 6 3.058 8.020 4.063 46 HD22 LEU 6 HD22 LEU 6 4.461 7.052 4.519 47 HD23 LEU 6 HD23 LEU 6 2.855 6.321 4.489 48 H ARG 7 H ARG 7 7.415 5.596 3.758 49 HA ARG 7 HA ARG 7 7.499 7.492 5.829 50 HB2 ARG 7 HB2 ARG 7 7.778 5.013 6.086 51 HB3 ARG 7 HB3 ARG 7 9.399 5.179 5.423 52 HG2 ARG 7 HG2 ARG 7 9.040 7.032 7.577 53 HG3 ARG 7 HG3 ARG 7 8.601 5.404 8.098 54 HD2 ARG 7 HD2 ARG 7 11.090 5.707 6.517 55 HD3 ARG 7 HD3 ARG 7 11.105 6.314 8.172 56 HE ARG 7 HE ARG 7 11.043 3.565 7.333 57 HH11 ARG 7 HH11 ARG 7 10.303 5.796 9.901 58 HH12 ARG 7 HH12 ARG 7 10.377 4.593 11.145 59 HH21 ARG 7 HH21 ARG 7 11.144 1.971 8.962 60 HH22 ARG 7 HH22 ARG 7 10.856 2.417 10.609 61 H ASP 8 H ASP 8 9.711 6.781 3.202 62 HA ASP 8 HA ASP 8 11.915 8.268 4.162 63 HB2 ASP 8 HB2 ASP 8 12.319 6.682 2.431 64 HB3 ASP 8 HB3 ASP 8 11.095 7.405 1.390 65 H VAL 9 H VAL 9 9.525 9.098 1.645 66 HA VAL 9 HA VAL 9 10.343 11.777 1.369 67 HB VAL 9 HB VAL 9 7.642 10.556 0.782 68 HG11 VAL 9 HG11 VAL 9 7.617 12.518 -0.896 69 HG12 VAL 9 HG12 VAL 9 7.240 12.846 0.797 70 HG13 VAL 9 HG13 VAL 9 8.839 13.229 0.158 71 HG21 VAL 9 HG21 VAL 9 9.257 11.167 -1.514 72 HG22 VAL 9 HG22 VAL 9 10.136 10.103 -0.416 73 HG23 VAL 9 HG23 VAL 9 8.550 9.627 -1.023 74 H ARG 10 H ARG 10 7.711 10.316 3.257 75 HA ARG 10 HA ARG 10 6.586 12.648 4.273 76 HB2 ARG 10 HB2 ARG 10 5.499 10.499 4.536 77 HB3 ARG 10 HB3 ARG 10 6.819 9.915 5.540 78 HG2 ARG 10 HG2 ARG 10 6.247 11.522 7.267 79 HG3 ARG 10 HG3 ARG 10 4.956 12.170 6.253 80 HD2 ARG 10 HD2 ARG 10 3.554 10.610 6.981 81 HD3 ARG 10 HD3 ARG 10 4.657 9.336 6.463 82 HE ARG 10 HE ARG 10 5.617 10.349 8.871 83 HH11 ARG 10 HH11 ARG 10 2.828 8.639 7.680 84 HH12 ARG 10 HH12 ARG 10 2.527 7.822 9.178 85 HH21 ARG 10 HH21 ARG 10 5.231 9.280 10.849 86 HH22 ARG 10 HH22 ARG 10 3.894 8.188 10.980 87 H GLU 11 H GLU 11 9.106 10.592 5.730 88 HA GLU 11 HA GLU 11 9.537 12.245 7.977 89 HB2 GLU 11 HB2 GLU 11 10.232 9.819 7.692 90 HB3 GLU 11 HB3 GLU 11 11.578 10.409 6.728 91 HG2 GLU 11 HG2 GLU 11 12.336 11.741 8.659 92 HG3 GLU 11 HG3 GLU 11 11.030 11.046 9.617 93 H ARG 12 H ARG 12 11.130 12.047 4.822 94 HA ARG 12 HA ARG 12 13.200 13.864 5.309 95 HB2 ARG 12 HB2 ARG 12 11.818 12.850 2.867 96 HB3 ARG 12 HB3 ARG 12 12.870 14.250 2.706 97 HG2 ARG 12 HG2 ARG 12 14.684 12.907 3.779 98 HG3 ARG 12 HG3 ARG 12 13.616 11.506 3.683 99 HD2 ARG 12 HD2 ARG 12 13.690 11.449 1.364 100 HD3 ARG 12 HD3 ARG 12 14.194 13.135 1.242 101 HE ARG 12 HE ARG 12 16.168 11.583 2.558 102 HH11 ARG 12 HH11 ARG 12 14.830 12.255 -0.585 103 HH12 ARG 12 HH12 ARG 12 16.293 11.874 -1.433 104 HH21 ARG 12 HH21 ARG 12 18.099 11.079 1.454 105 HH22 ARG 12 HH22 ARG 12 18.151 11.204 -0.272 106 H LEU 13 H LEU 13 9.929 14.393 4.038 107 HA LEU 13 HA LEU 13 10.207 17.165 3.598 108 HB2 LEU 13 HB2 LEU 13 8.261 15.255 3.159 109 HB3 LEU 13 HB3 LEU 13 7.524 16.328 4.346 110 HG LEU 13 HG LEU 13 8.640 17.192 1.679 111 HD11 LEU 13 HD11 LEU 13 6.457 17.285 0.859 112 HD12 LEU 13 HD12 LEU 13 5.747 17.124 2.465 113 HD13 LEU 13 HD13 LEU 13 6.533 15.740 1.707 114 HD21 LEU 13 HD21 LEU 13 8.492 18.758 3.810 115 HD22 LEU 13 HD22 LEU 13 6.801 18.852 3.317 116 HD23 LEU 13 HD23 LEU 13 8.075 19.338 2.198 117 H GLN 14 H GLN 14 8.767 15.364 6.311 118 HA GLN 14 HA GLN 14 7.977 17.483 7.889 119 HB2 GLN 14 HB2 GLN 14 9.114 14.816 8.739 120 HB3 GLN 14 HB3 GLN 14 8.309 15.939 9.826 121 HG2 GLN 14 HG2 GLN 14 6.743 15.321 7.452 122 HG3 GLN 14 HG3 GLN 14 7.114 13.906 8.435 123 HE21 GLN 14 HE21 GLN 14 5.394 13.461 9.610 124 HE22 GLN 14 HE22 GLN 14 4.469 14.596 10.527 125 H ALA 15 H ALA 15 11.032 15.692 8.335 126 HA ALA 15 HA ALA 15 12.208 17.457 10.126 127 HB1 ALA 15 HB1 ALA 15 14.184 16.294 8.373 128 HB2 ALA 15 HB2 ALA 15 13.860 15.971 10.076 129 HB3 ALA 15 HB3 ALA 15 12.958 15.111 8.829 130 H TRP 16 H TRP 16 12.310 17.444 6.587 131 HA TRP 16 HA TRP 16 14.195 19.404 6.131 132 HB2 TRP 16 HB2 TRP 16 13.311 18.224 4.263 133 HB3 TRP 16 HB3 TRP 16 11.664 18.725 4.636 134 HD1 TRP 16 HD1 TRP 16 10.864 20.389 2.878 135 HE1 TRP 16 HE1 TRP 16 11.895 22.364 1.589 136 HE3 TRP 16 HE3 TRP 16 15.629 20.158 4.715 137 HZ2 TRP 16 HZ2 TRP 16 14.397 23.653 1.378 138 HZ3 TRP 16 HZ3 TRP 16 17.281 21.798 3.918 139 HH2 TRP 16 HH2 TRP 16 16.676 23.508 2.283 140 H GLU 17 H GLU 17 10.735 20.146 5.795 141 HA GLU 17 HA GLU 17 10.947 22.883 6.023 142 HB2 GLU 17 HB2 GLU 17 8.579 22.917 6.522 143 HB3 GLU 17 HB3 GLU 17 8.904 21.679 5.317 144 HG2 GLU 17 HG2 GLU 17 8.729 19.947 6.971 145 HG3 GLU 17 HG3 GLU 17 8.572 21.141 8.258 146 H ARG 18 H ARG 18 10.842 20.469 8.555 147 HA ARG 18 HA ARG 18 10.249 22.031 10.764 148 HB2 ARG 18 HB2 ARG 18 11.536 19.459 10.273 149 HB3 ARG 18 HB3 ARG 18 12.168 20.270 11.700 150 HG2 ARG 18 HG2 ARG 18 9.253 19.726 11.183 151 HG3 ARG 18 HG3 ARG 18 10.306 18.739 12.198 152 HD2 ARG 18 HD2 ARG 18 10.107 20.144 13.918 153 HD3 ARG 18 HD3 ARG 18 10.449 21.544 12.903 154 HE ARG 18 HE ARG 18 7.901 20.965 12.259 155 HH11 ARG 18 HH11 ARG 18 9.523 21.386 15.311 156 HH12 ARG 18 HH12 ARG 18 8.116 21.986 16.124 157 HH21 ARG 18 HH21 ARG 18 6.042 21.755 13.319 158 HH22 ARG 18 HH22 ARG 18 6.136 22.195 14.991 159 H ALA 19 H ALA 19 13.575 20.958 10.116 160 HA ALA 19 HA ALA 19 14.744 23.043 11.615 161 HB1 ALA 19 HB1 ALA 19 16.602 21.843 11.361 162 HB2 ALA 19 HB2 ALA 19 15.624 20.686 10.457 163 HB3 ALA 19 HB3 ALA 19 16.515 21.945 9.602 164 H PHE 20 H PHE 20 13.973 22.700 8.207 165 HA PHE 20 HA PHE 20 15.470 24.704 7.069 166 HB2 PHE 20 HB2 PHE 20 14.195 23.416 5.582 167 HB3 PHE 20 HB3 PHE 20 12.706 23.683 6.482 168 HD1 PHE 20 HD1 PHE 20 15.207 25.370 4.331 169 HD2 PHE 20 HD2 PHE 20 11.251 25.412 5.900 170 HE1 PHE 20 HE1 PHE 20 14.628 27.217 2.811 171 HE2 PHE 20 HE2 PHE 20 10.665 27.258 4.382 172 HZ PHE 20 HZ PHE 20 12.354 28.162 2.835 173 H ARG 21 H ARG 21 12.076 25.159 8.070 174 HA ARG 21 HA ARG 21 12.203 27.975 7.982 175 HB2 ARG 21 HB2 ARG 21 10.074 26.874 7.803 176 HB3 ARG 21 HB3 ARG 21 10.283 26.103 9.370 177 HG2 ARG 21 HG2 ARG 21 9.601 27.919 10.502 178 HG3 ARG 21 HG3 ARG 21 10.397 29.039 9.395 179 HD2 ARG 21 HD2 ARG 21 8.519 28.244 7.745 180 HD3 ARG 21 HD3 ARG 21 7.685 27.808 9.236 181 HE ARG 21 HE ARG 21 8.076 30.434 8.199 182 HH11 ARG 21 HH11 ARG 21 7.788 28.604 11.147 183 HH12 ARG 21 HH12 ARG 21 7.199 29.943 12.074 184 HH21 ARG 21 HH21 ARG 21 7.301 32.205 9.410 185 HH22 ARG 21 HH22 ARG 21 6.921 31.991 11.085 186 H ARG 22 H ARG 22 13.417 25.766 10.234 187 HA ARG 22 HA ARG 22 13.161 27.379 12.586 188 HB2 ARG 22 HB2 ARG 22 13.828 24.745 12.078 189 HB3 ARG 22 HB3 ARG 22 15.355 25.450 12.592 190 HG2 ARG 22 HG2 ARG 22 12.890 25.944 14.197 191 HG3 ARG 22 HG3 ARG 22 13.741 24.404 14.339 192 HD2 ARG 22 HD2 ARG 22 15.796 26.181 14.503 193 HD3 ARG 22 HD3 ARG 22 14.494 27.078 15.284 194 HE ARG 22 HE ARG 22 14.658 24.414 16.266 195 HH11 ARG 22 HH11 ARG 22 16.143 27.555 16.480 196 HH12 ARG 22 HH12 ARG 22 16.743 27.306 18.086 197 HH21 ARG 22 HH21 ARG 22 15.442 24.074 18.380 198 HH22 ARG 22 HH22 ARG 22 16.345 25.325 19.166 199 H GLN 23 H GLN 23 15.711 26.790 10.206 200 HA GLN 23 HA GLN 23 17.427 28.754 11.525 201 HB2 GLN 23 HB2 GLN 23 19.153 28.003 9.935 202 HB3 GLN 23 HB3 GLN 23 18.487 26.668 10.865 203 HG2 GLN 23 HG2 GLN 23 17.005 26.154 8.929 204 HG3 GLN 23 HG3 GLN 23 17.875 27.381 8.009 205 HE21 GLN 23 HE21 GLN 23 18.185 25.392 6.653 206 HE22 GLN 23 HE22 GLN 23 19.587 24.435 6.973 207 H ARG 24 H ARG 24 15.865 28.146 8.403 208 HA ARG 24 HA ARG 24 16.753 30.631 7.272 209 HB2 ARG 24 HB2 ARG 24 14.863 28.468 6.395 210 HB3 ARG 24 HB3 ARG 24 14.944 29.992 5.521 211 HG2 ARG 24 HG2 ARG 24 17.303 28.191 6.024 212 HG3 ARG 24 HG3 ARG 24 16.342 28.201 4.543 213 HD2 ARG 24 HD2 ARG 24 17.816 29.719 3.814 214 HD3 ARG 24 HD3 ARG 24 16.949 30.848 4.855 215 HE ARG 24 HE ARG 24 18.786 30.933 6.204 216 HH11 ARG 24 HH11 ARG 24 18.970 28.059 4.248 217 HH12 ARG 24 HH12 ARG 24 20.561 27.636 4.789 218 HH21 ARG 24 HH21 ARG 24 20.880 30.386 6.924 219 HH22 ARG 24 HH22 ARG 24 21.646 28.959 6.312 220 H GLY 25 H GLY 25 13.609 29.380 8.395 221 HA2 GLY 25 HA2 GLY 25 11.763 30.474 9.212 222 HA3 GLY 25 HA3 GLY 25 12.820 31.839 9.537 223 H ARG 26 H ARG 26 12.436 30.524 6.327 224 HA ARG 26 HA ARG 26 10.314 32.046 5.385 225 HB2 ARG 26 HB2 ARG 26 11.692 33.816 4.139 226 HB3 ARG 26 HB3 ARG 26 11.395 34.073 5.853 227 HG2 ARG 26 HG2 ARG 26 13.569 33.901 6.391 228 HG3 ARG 26 HG3 ARG 26 13.866 32.617 5.217 229 HD2 ARG 26 HD2 ARG 26 13.551 34.516 3.467 230 HD3 ARG 26 HD3 ARG 26 13.881 35.583 4.832 231 HE ARG 26 HE ARG 26 15.767 33.971 3.416 232 HH11 ARG 26 HH11 ARG 26 15.026 35.373 6.516 233 HH12 ARG 26 HH12 ARG 26 16.678 35.415 7.037 234 HH21 ARG 26 HH21 ARG 26 17.945 34.021 4.091 235 HH22 ARG 26 HH22 ARG 26 18.337 34.647 5.657 236 H ARG 27 H ARG 27 10.870 32.651 2.860 237 HA ARG 27 HA ARG 27 10.937 30.277 1.495 238 HB2 ARG 27 HB2 ARG 27 10.839 32.998 0.819 239 HB3 ARG 27 HB3 ARG 27 12.185 32.338 -0.100 240 HG2 ARG 27 HG2 ARG 27 9.910 30.582 -0.232 241 HG3 ARG 27 HG3 ARG 27 9.477 32.216 -0.738 242 HD2 ARG 27 HD2 ARG 27 11.960 30.899 -1.772 243 HD3 ARG 27 HD3 ARG 27 10.390 30.550 -2.495 244 HE ARG 27 HE ARG 27 10.582 33.295 -2.410 245 HH11 ARG 27 HH11 ARG 27 12.378 30.677 -3.839 246 HH12 ARG 27 HH12 ARG 27 12.925 31.616 -5.188 247 HH21 ARG 27 HH21 ARG 27 11.295 34.541 -4.182 248 HH22 ARG 27 HH22 ARG 27 12.309 33.814 -5.382 249 HA PRO 28 HA PRO 28 15.094 28.836 1.591 250 HB2 PRO 28 HB2 PRO 28 15.059 27.269 -0.626 251 HB3 PRO 28 HB3 PRO 28 14.253 26.820 0.881 252 HG2 PRO 28 HG2 PRO 28 13.093 28.028 -1.600 253 HG3 PRO 28 HG3 PRO 28 12.452 26.721 -0.587 254 HD2 PRO 28 HD2 PRO 28 11.550 29.269 -0.422 255 HD3 PRO 28 HD3 PRO 28 11.606 28.183 0.981 256 H SER 29 H SER 29 17.067 28.727 0.238 257 HA SER 29 HA SER 29 17.092 30.851 -1.807 258 HB2 SER 29 HB2 SER 29 18.716 30.490 0.598 259 HB3 SER 29 HB3 SER 29 19.687 30.714 -0.857 260 HG SER 29 HG SER 29 19.146 32.735 -0.837 261 H GLN 30 H GLN 30 18.786 30.652 -3.438 262 HA GLN 30 HA GLN 30 18.807 28.154 -4.675 263 HB2 GLN 30 HB2 GLN 30 20.742 30.445 -5.058 264 HB3 GLN 30 HB3 GLN 30 20.523 29.099 -6.168 265 HG2 GLN 30 HG2 GLN 30 19.136 30.503 -7.217 266 HG3 GLN 30 HG3 GLN 30 17.987 29.997 -5.980 267 HE21 GLN 30 HE21 GLN 30 20.210 32.501 -6.973 268 HE22 GLN 30 HE22 GLN 30 19.548 33.753 -5.983 269 H ASP 31 H ASP 31 20.769 29.388 -2.149 270 HA ASP 31 HA ASP 31 23.052 27.733 -2.564 271 HB2 ASP 31 HB2 ASP 31 22.164 29.698 -0.620 272 HB3 ASP 31 HB3 ASP 31 22.947 28.327 0.161 273 H ASP 32 H ASP 32 20.228 27.510 -0.419 274 HA ASP 32 HA ASP 32 21.017 24.902 0.535 275 HB2 ASP 32 HB2 ASP 32 19.283 26.948 1.427 276 HB3 ASP 32 HB3 ASP 32 18.277 25.532 1.134 277 H VAL 33 H VAL 33 18.866 26.231 -1.869 278 HA VAL 33 HA VAL 33 17.354 23.858 -2.317 279 HB VAL 33 HB VAL 33 17.803 26.243 -4.117 280 HG11 VAL 33 HG11 VAL 33 16.824 25.043 -5.712 281 HG12 VAL 33 HG12 VAL 33 16.516 23.708 -4.600 282 HG13 VAL 33 HG13 VAL 33 15.363 25.037 -4.725 283 HG21 VAL 33 HG21 VAL 33 15.241 25.723 -2.711 284 HG22 VAL 33 HG22 VAL 33 16.590 26.341 -1.759 285 HG23 VAL 33 HG23 VAL 33 16.001 27.252 -3.149 286 H GLU 34 H GLU 34 20.106 25.354 -4.002 287 HA GLU 34 HA GLU 34 20.339 23.215 -5.892 288 HB2 GLU 34 HB2 GLU 34 21.116 25.707 -6.074 289 HB3 GLU 34 HB3 GLU 34 22.572 25.118 -5.284 290 HG2 GLU 34 HG2 GLU 34 22.089 23.305 -7.339 291 HG3 GLU 34 HG3 GLU 34 21.750 24.890 -8.033 292 H ALA 35 H ALA 35 21.163 23.518 -2.664 293 HA ALA 35 HA ALA 35 23.612 22.041 -2.657 294 HB1 ALA 35 HB1 ALA 35 23.618 23.049 -0.668 295 HB2 ALA 35 HB2 ALA 35 21.871 23.289 -0.692 296 HB3 ALA 35 HB3 ALA 35 22.543 21.757 -0.134 297 H ALA 36 H ALA 36 20.211 21.237 -2.454 298 HA ALA 36 HA ALA 36 20.734 18.477 -1.742 299 HB1 ALA 36 HB1 ALA 36 18.506 20.223 -1.598 300 HB2 ALA 36 HB2 ALA 36 18.049 18.840 -2.593 301 HB3 ALA 36 HB3 ALA 36 18.663 18.587 -0.959 302 HA PRO 37 HA PRO 37 20.845 16.718 -5.760 303 HB2 PRO 37 HB2 PRO 37 19.404 14.439 -5.443 304 HB3 PRO 37 HB3 PRO 37 21.016 14.660 -4.752 305 HG2 PRO 37 HG2 PRO 37 18.339 14.934 -3.440 306 HG3 PRO 37 HG3 PRO 37 19.813 14.165 -2.824 307 HD2 PRO 37 HD2 PRO 37 19.047 16.652 -2.078 308 HD3 PRO 37 HD3 PRO 37 20.753 16.175 -2.201 309 H GLU 38 H GLU 38 19.277 15.504 -7.392 310 HA GLU 38 HA GLU 38 17.370 17.392 -8.227 311 HB2 GLU 38 HB2 GLU 38 18.446 14.896 -9.189 312 HB3 GLU 38 HB3 GLU 38 16.704 14.935 -9.427 313 HG2 GLU 38 HG2 GLU 38 17.021 17.189 -10.507 314 HG3 GLU 38 HG3 GLU 38 18.753 16.862 -10.476 315 H GLU 39 H GLU 39 16.792 14.047 -7.118 316 HA GLU 39 HA GLU 39 14.056 14.117 -6.947 317 HB2 GLU 39 HB2 GLU 39 16.191 12.559 -5.646 318 HB3 GLU 39 HB3 GLU 39 14.664 12.587 -4.774 319 HG2 GLU 39 HG2 GLU 39 14.237 10.801 -6.072 320 HG3 GLU 39 HG3 GLU 39 13.743 12.044 -7.220 321 H THR 40 H THR 40 16.310 14.840 -4.279 322 HA THR 40 HA THR 40 14.441 15.594 -2.377 323 HB THR 40 HB THR 40 17.234 16.685 -2.772 324 HG1 THR 40 HG1 THR 40 16.268 14.634 -1.041 325 HG21 THR 40 HG21 THR 40 16.885 16.934 -0.161 326 HG22 THR 40 HG22 THR 40 15.194 17.089 -0.640 327 HG23 THR 40 HG23 THR 40 16.397 18.209 -1.278 328 H ARG 41 H ARG 41 16.155 17.666 -4.711 329 HA ARG 41 HA ARG 41 15.081 20.111 -3.982 330 HB2 ARG 41 HB2 ARG 41 16.127 18.996 -6.552 331 HB3 ARG 41 HB3 ARG 41 15.343 20.570 -6.564 332 HG2 ARG 41 HG2 ARG 41 16.944 21.454 -5.022 333 HG3 ARG 41 HG3 ARG 41 17.656 19.857 -4.778 334 HD2 ARG 41 HD2 ARG 41 19.082 20.328 -6.418 335 HD3 ARG 41 HD3 ARG 41 17.719 20.271 -7.535 336 HE ARG 41 HE ARG 41 18.019 22.811 -6.235 337 HH11 ARG 41 HH11 ARG 41 19.059 20.833 -8.904 338 HH12 ARG 41 HH12 ARG 41 19.521 22.180 -9.892 339 HH21 ARG 41 HH21 ARG 41 18.623 24.592 -7.526 340 HH22 ARG 41 HH22 ARG 41 19.273 24.317 -9.107 341 H ALA 42 H ALA 42 13.702 17.569 -5.983 342 HA ALA 42 HA ALA 42 11.504 19.050 -6.973 343 HB1 ALA 42 HB1 ALA 42 11.306 17.214 -8.199 344 HB2 ALA 42 HB2 ALA 42 12.491 16.390 -7.184 345 HB3 ALA 42 HB3 ALA 42 10.778 16.322 -6.772 346 H LEU 43 H LEU 43 11.736 16.706 -4.295 347 HA LEU 43 HA LEU 43 9.083 16.993 -3.414 348 HB2 LEU 43 HB2 LEU 43 11.411 16.322 -1.638 349 HB3 LEU 43 HB3 LEU 43 9.733 15.808 -1.476 350 HG LEU 43 HG LEU 43 11.749 14.854 -3.504 351 HD11 LEU 43 HD11 LEU 43 11.911 12.950 -2.300 352 HD12 LEU 43 HD12 LEU 43 10.239 13.024 -1.747 353 HD13 LEU 43 HD13 LEU 43 11.468 14.025 -0.975 354 HD21 LEU 43 HD21 LEU 43 9.884 14.765 -4.811 355 HD22 LEU 43 HD22 LEU 43 8.786 14.670 -3.434 356 HD23 LEU 43 HD23 LEU 43 9.692 13.243 -3.939 357 H TYR 44 H TYR 44 12.071 18.620 -2.425 358 HA TYR 44 HA TYR 44 11.007 20.109 -0.304 359 HB2 TYR 44 HB2 TYR 44 13.362 20.526 -2.129 360 HB3 TYR 44 HB3 TYR 44 12.949 21.710 -0.894 361 HD1 TYR 44 HD1 TYR 44 12.057 18.463 0.176 362 HD2 TYR 44 HD2 TYR 44 15.393 21.072 -0.231 363 HE1 TYR 44 HE1 TYR 44 13.286 17.143 1.849 364 HE2 TYR 44 HE2 TYR 44 16.632 19.759 1.439 365 HH TYR 44 HH TYR 44 16.498 18.127 2.966 366 H ARG 45 H ARG 45 11.661 21.186 -3.644 367 HA ARG 45 HA ARG 45 10.376 23.673 -3.384 368 HB2 ARG 45 HB2 ARG 45 11.951 22.590 -5.269 369 HB3 ARG 45 HB3 ARG 45 10.390 22.361 -6.046 370 HG2 ARG 45 HG2 ARG 45 10.219 24.952 -5.235 371 HG3 ARG 45 HG3 ARG 45 11.937 24.802 -5.608 372 HD2 ARG 45 HD2 ARG 45 11.354 23.902 -7.823 373 HD3 ARG 45 HD3 ARG 45 9.645 24.116 -7.444 374 HE ARG 45 HE ARG 45 10.820 26.583 -7.079 375 HH11 ARG 45 HH11 ARG 45 10.422 24.320 -9.695 376 HH12 ARG 45 HH12 ARG 45 10.414 25.542 -10.923 377 HH21 ARG 45 HH21 ARG 45 10.811 28.201 -8.687 378 HH22 ARG 45 HH22 ARG 45 10.636 27.749 -10.349 379 H GLU 46 H GLU 46 9.157 20.485 -3.944 380 HA GLU 46 HA GLU 46 6.684 21.175 -5.135 381 HB2 GLU 46 HB2 GLU 46 7.467 18.913 -5.298 382 HB3 GLU 46 HB3 GLU 46 7.550 18.757 -3.549 383 HG2 GLU 46 HG2 GLU 46 4.896 19.471 -4.505 384 HG3 GLU 46 HG3 GLU 46 5.481 17.937 -5.147 385 H TYR 47 H TYR 47 7.294 20.040 -1.806 386 HA TYR 47 HA TYR 47 4.765 20.846 -0.840 387 HB2 TYR 47 HB2 TYR 47 6.518 19.168 0.145 388 HB3 TYR 47 HB3 TYR 47 7.147 20.594 0.964 389 HD1 TYR 47 HD2 TYR 47 4.235 18.360 0.636 390 HD2 TYR 47 HD1 TYR 47 5.972 21.586 2.799 391 HE1 TYR 47 HE2 TYR 47 2.529 18.096 2.388 392 HE2 TYR 47 HE1 TYR 47 4.272 21.330 4.557 393 HH TYR 47 HH TYR 47 2.581 18.813 5.127 394 H ARG 48 H ARG 48 7.781 22.510 -1.240 395 HA ARG 48 HA ARG 48 7.208 24.659 0.558 396 HB2 ARG 48 HB2 ARG 48 9.510 23.977 -0.169 397 HB3 ARG 48 HB3 ARG 48 9.148 24.641 -1.757 398 HG2 ARG 48 HG2 ARG 48 10.027 26.532 -0.983 399 HG3 ARG 48 HG3 ARG 48 8.519 26.718 -0.085 400 HD2 ARG 48 HD2 ARG 48 10.073 25.005 1.467 401 HD3 ARG 48 HD3 ARG 48 11.199 26.229 0.882 402 HE ARG 48 HE ARG 48 10.102 27.818 2.146 403 HH11 ARG 48 HH11 ARG 48 8.307 24.835 2.142 404 HH12 ARG 48 HH12 ARG 48 7.236 25.326 3.412 405 HH21 ARG 48 HH21 ARG 48 8.698 28.475 3.819 406 HH22 ARG 48 HH22 ARG 48 7.459 27.397 4.365 407 H THR 49 H THR 49 7.048 24.259 -2.967 408 HA THR 49 HA THR 49 6.099 26.877 -3.495 409 HB THR 49 HB THR 49 5.890 24.358 -5.153 410 HG1 THR 49 HG1 THR 49 7.808 24.932 -5.913 411 HG21 THR 49 HG21 THR 49 4.417 25.530 -6.377 412 HG22 THR 49 HG22 THR 49 5.807 26.489 -6.885 413 HG23 THR 49 HG23 THR 49 4.796 27.039 -5.549 414 H LEU 50 H LEU 50 4.522 23.837 -2.745 415 HA LEU 50 HA LEU 50 1.887 24.725 -3.423 416 HB2 LEU 50 HB2 LEU 50 3.112 22.334 -2.204 417 HB3 LEU 50 HB3 LEU 50 1.446 22.668 -1.738 418 HG LEU 50 HG LEU 50 1.657 22.864 -4.577 419 HD11 LEU 50 HD11 LEU 50 2.143 20.316 -4.816 420 HD12 LEU 50 HD12 LEU 50 3.059 20.545 -3.327 421 HD13 LEU 50 HD13 LEU 50 3.478 21.469 -4.770 422 HD21 LEU 50 HD21 LEU 50 0.330 20.808 -2.814 423 HD22 LEU 50 HD22 LEU 50 -0.048 21.138 -4.504 424 HD23 LEU 50 HD23 LEU 50 -0.364 22.363 -3.274 425 H LYS 51 H LYS 51 3.716 24.389 -0.406 426 HA LYS 51 HA LYS 51 1.584 25.295 1.260 427 HB2 LYS 51 HB2 LYS 51 3.064 25.068 3.040 428 HB3 LYS 51 HB3 LYS 51 3.672 23.889 1.886 429 HG2 LYS 51 HG2 LYS 51 5.641 24.862 2.373 430 HG3 LYS 51 HG3 LYS 51 5.120 26.019 1.145 431 HD2 LYS 51 HD2 LYS 51 5.817 27.331 2.968 432 HD3 LYS 51 HD3 LYS 51 4.054 27.322 3.058 433 HE2 LYS 51 HE2 LYS 51 5.263 25.115 4.515 434 HE3 LYS 51 HE3 LYS 51 5.805 26.687 5.099 435 HZ1 LYS 51 HZ1 LYS 51 3.444 27.334 5.276 436 HZ2 LYS 51 HZ2 LYS 51 3.852 26.044 6.291 437 HZ3 LYS 51 HZ3 LYS 51 2.997 25.756 4.860 438 H ARG 52 H ARG 52 4.024 26.848 -0.627 439 HA ARG 52 HA ARG 52 3.821 29.375 0.770 440 HB2 ARG 52 HB2 ARG 52 5.344 28.401 -1.626 441 HB3 ARG 52 HB3 ARG 52 5.212 30.123 -1.297 442 HG2 ARG 52 HG2 ARG 52 6.252 28.135 0.703 443 HG3 ARG 52 HG3 ARG 52 7.282 29.012 -0.430 444 HD2 ARG 52 HD2 ARG 52 5.372 30.474 1.356 445 HD3 ARG 52 HD3 ARG 52 6.945 29.952 1.958 446 HE ARG 52 HE ARG 52 7.499 31.271 -0.369 447 HH11 ARG 52 HH11 ARG 52 5.834 32.064 2.583 448 HH12 ARG 52 HH12 ARG 52 6.231 33.748 2.508 449 HH21 ARG 52 HH21 ARG 52 8.028 33.488 -0.479 450 HH22 ARG 52 HH22 ARG 52 7.478 34.557 0.766 451 H THR 53 H THR 53 2.668 27.931 -2.231 452 HA THR 53 HA THR 53 1.458 30.355 -3.184 453 HB THR 53 HB THR 53 2.253 28.508 -4.689 454 HG1 THR 53 HG1 THR 53 -0.327 29.632 -4.798 455 HG21 THR 53 HG21 THR 53 0.934 26.544 -5.000 456 HG22 THR 53 HG22 THR 53 -0.311 27.132 -3.897 457 HG23 THR 53 HG23 THR 53 1.273 26.672 -3.274 458 H THR 54 H THR 54 0.448 27.591 -1.302 459 HA THR 54 HA THR 54 -2.357 28.055 -1.527 460 HB THR 54 HB THR 54 -1.322 25.857 -0.879 461 HG1 THR 54 HG1 THR 54 -3.142 26.735 1.110 462 HG21 THR 54 HG21 THR 54 0.276 26.904 0.776 463 HG22 THR 54 HG22 THR 54 -0.583 25.474 1.349 464 HG23 THR 54 HG23 THR 54 -1.098 27.079 1.867 465 H GLY 55 H GLY 55 0.170 29.366 0.437 466 HA2 GLY 55 HA2 GLY 55 0.044 31.293 1.744 467 HA3 GLY 55 HA3 GLY 55 -1.707 31.235 1.619 468 H GLN 56 H GLN 56 0.096 28.430 2.606 469 HA GLN 56 HA GLN 56 0.044 27.201 4.523 470 HB2 GLN 56 HB2 GLN 56 1.407 29.313 5.144 471 HB3 GLN 56 HB3 GLN 56 -0.023 29.787 6.051 472 HG2 GLN 56 HG2 GLN 56 0.307 27.263 6.943 473 HG3 GLN 56 HG3 GLN 56 1.979 27.716 6.618 474 HE21 GLN 56 HE21 GLN 56 -0.754 28.155 8.642 475 HE22 GLN 56 HE22 GLN 56 -0.017 29.221 9.784 Start of MODEL 9 1 H1 GLY 1 H GLY 1 10.736 1.957 -2.232 2 HA2 GLY 1 HA2 GLY 1 9.287 0.588 -3.900 3 HA3 GLY 1 HA3 GLY 1 8.870 -0.303 -2.444 4 H SER 2 H SER 2 6.789 0.207 -2.108 5 HA SER 2 HA SER 2 5.789 2.872 -2.539 6 HB2 SER 2 HB2 SER 2 4.040 1.110 -1.009 7 HB3 SER 2 HB3 SER 2 3.772 1.874 -2.575 8 HG SER 2 HG SER 2 4.400 0.107 -3.549 9 H MET 3 H MET 3 6.160 0.760 0.307 10 HA MET 3 HA MET 3 5.422 2.771 2.172 11 HB2 MET 3 HB2 MET 3 5.578 0.122 2.364 12 HB3 MET 3 HB3 MET 3 7.172 0.506 3.001 13 HG2 MET 3 HG2 MET 3 6.168 1.906 4.714 14 HG3 MET 3 HG3 MET 3 4.565 1.571 4.062 15 HE1 MET 3 HE1 MET 3 4.413 1.101 6.872 16 HE2 MET 3 HE2 MET 3 5.135 -0.332 7.605 17 HE3 MET 3 HE3 MET 3 6.160 1.012 7.100 18 H GLU 4 H GLU 4 8.541 1.508 1.057 19 HA GLU 4 HA GLU 4 10.231 2.883 2.768 20 HB2 GLU 4 HB2 GLU 4 10.851 1.127 1.047 21 HB3 GLU 4 HB3 GLU 4 10.807 2.408 -0.156 22 HG2 GLU 4 HG2 GLU 4 12.605 3.562 0.893 23 HG3 GLU 4 HG3 GLU 4 12.553 2.487 2.290 24 H ARG 5 H ARG 5 9.036 3.924 -0.421 25 HA ARG 5 HA ARG 5 10.271 6.455 -0.385 26 HB2 ARG 5 HB2 ARG 5 9.391 5.371 -2.428 27 HB3 ARG 5 HB3 ARG 5 7.754 5.617 -1.835 28 HG2 ARG 5 HG2 ARG 5 7.875 7.446 -3.141 29 HG3 ARG 5 HG3 ARG 5 8.647 8.138 -1.713 30 HD2 ARG 5 HD2 ARG 5 10.617 8.336 -2.749 31 HD3 ARG 5 HD3 ARG 5 10.515 6.711 -3.426 32 HE ARG 5 HE ARG 5 8.768 8.148 -4.928 33 HH11 ARG 5 HH11 ARG 5 12.122 8.534 -4.077 34 HH12 ARG 5 HH12 ARG 5 12.537 9.349 -5.548 35 HH21 ARG 5 HH21 ARG 5 9.302 9.219 -6.870 36 HH22 ARG 5 HH22 ARG 5 10.932 9.739 -7.136 37 H LEU 6 H LEU 6 7.201 5.299 0.856 38 HA LEU 6 HA LEU 6 5.981 7.787 1.329 39 HB2 LEU 6 HB2 LEU 6 4.936 5.476 1.405 40 HB3 LEU 6 HB3 LEU 6 5.617 5.330 3.024 41 HG LEU 6 HG LEU 6 4.232 7.719 3.120 42 HD11 LEU 6 HD11 LEU 6 1.918 6.674 2.356 43 HD12 LEU 6 HD12 LEU 6 2.962 5.857 1.193 44 HD13 LEU 6 HD13 LEU 6 2.928 7.619 1.261 45 HD21 LEU 6 HD21 LEU 6 3.051 5.065 3.882 46 HD22 LEU 6 HD22 LEU 6 2.872 6.624 4.688 47 HD23 LEU 6 HD23 LEU 6 4.415 5.770 4.751 48 H ARG 7 H ARG 7 7.585 5.640 3.689 49 HA ARG 7 HA ARG 7 7.634 7.525 5.771 50 HB2 ARG 7 HB2 ARG 7 7.928 5.087 6.087 51 HB3 ARG 7 HB3 ARG 7 9.508 5.196 5.323 52 HG2 ARG 7 HG2 ARG 7 9.100 7.020 7.585 53 HG3 ARG 7 HG3 ARG 7 9.080 5.302 7.989 54 HD2 ARG 7 HD2 ARG 7 11.246 6.526 6.305 55 HD3 ARG 7 HD3 ARG 7 11.331 6.503 8.065 56 HE ARG 7 HE ARG 7 10.856 3.919 7.455 57 HH11 ARG 7 HH11 ARG 7 13.196 6.235 6.322 58 HH12 ARG 7 HH12 ARG 7 14.411 5.043 5.998 59 HH21 ARG 7 HH21 ARG 7 12.448 2.341 7.033 60 HH22 ARG 7 HH22 ARG 7 13.984 2.829 6.402 61 H ASP 8 H ASP 8 9.880 6.847 3.160 62 HA ASP 8 HA ASP 8 12.052 8.367 4.137 63 HB2 ASP 8 HB2 ASP 8 12.362 6.724 2.370 64 HB3 ASP 8 HB3 ASP 8 11.297 7.633 1.301 65 H VAL 9 H VAL 9 9.674 9.167 1.599 66 HA VAL 9 HA VAL 9 10.452 11.857 1.331 67 HB VAL 9 HB VAL 9 7.768 10.603 0.735 68 HG11 VAL 9 HG11 VAL 9 8.831 13.327 0.395 69 HG12 VAL 9 HG12 VAL 9 8.014 12.647 -1.013 70 HG13 VAL 9 HG13 VAL 9 7.165 12.765 0.529 71 HG21 VAL 9 HG21 VAL 9 8.535 10.155 -1.424 72 HG22 VAL 9 HG22 VAL 9 9.922 11.231 -1.257 73 HG23 VAL 9 HG23 VAL 9 9.891 9.694 -0.394 74 H ARG 10 H ARG 10 7.786 10.382 3.167 75 HA ARG 10 HA ARG 10 6.656 12.700 4.194 76 HB2 ARG 10 HB2 ARG 10 5.556 10.565 4.438 77 HB3 ARG 10 HB3 ARG 10 6.875 9.951 5.425 78 HG2 ARG 10 HG2 ARG 10 5.911 10.711 7.265 79 HG3 ARG 10 HG3 ARG 10 5.840 12.344 6.599 80 HD2 ARG 10 HD2 ARG 10 3.766 11.712 5.398 81 HD3 ARG 10 HD3 ARG 10 3.823 10.139 6.193 82 HE ARG 10 HE ARG 10 2.995 11.113 8.088 83 HH11 ARG 10 HH11 ARG 10 4.219 13.599 5.980 84 HH12 ARG 10 HH12 ARG 10 3.614 14.901 6.949 85 HH21 ARG 10 HH21 ARG 10 2.193 12.819 9.372 86 HH22 ARG 10 HH22 ARG 10 2.462 14.456 8.879 87 H GLU 11 H GLU 11 9.184 10.652 5.642 88 HA GLU 11 HA GLU 11 9.578 12.272 7.921 89 HB2 GLU 11 HB2 GLU 11 10.304 9.873 7.642 90 HB3 GLU 11 HB3 GLU 11 11.621 10.458 6.636 91 HG2 GLU 11 HG2 GLU 11 11.504 11.864 9.158 92 HG3 GLU 11 HG3 GLU 11 11.644 10.121 9.384 93 H ARG 12 H ARG 12 11.191 12.150 4.772 94 HA ARG 12 HA ARG 12 13.234 13.985 5.302 95 HB2 ARG 12 HB2 ARG 12 11.853 13.064 2.810 96 HB3 ARG 12 HB3 ARG 12 12.985 14.407 2.725 97 HG2 ARG 12 HG2 ARG 12 13.818 11.876 4.061 98 HG3 ARG 12 HG3 ARG 12 13.790 11.967 2.299 99 HD2 ARG 12 HD2 ARG 12 15.714 13.075 2.290 100 HD3 ARG 12 HD3 ARG 12 15.034 14.317 3.341 101 HE ARG 12 HE ARG 12 16.153 13.382 5.102 102 HH11 ARG 12 HH11 ARG 12 16.043 11.090 2.484 103 HH12 ARG 12 HH12 ARG 12 17.105 9.960 3.256 104 HH21 ARG 12 HH21 ARG 12 17.551 11.901 6.129 105 HH22 ARG 12 HH22 ARG 12 17.961 10.421 5.330 106 H LEU 13 H LEU 13 9.971 14.498 4.001 107 HA LEU 13 HA LEU 13 10.217 17.281 3.626 108 HB2 LEU 13 HB2 LEU 13 8.299 15.354 3.129 109 HB3 LEU 13 HB3 LEU 13 7.535 16.403 4.322 110 HG LEU 13 HG LEU 13 8.676 17.311 1.680 111 HD11 LEU 13 HD11 LEU 13 6.768 16.107 1.112 112 HD12 LEU 13 HD12 LEU 13 6.180 17.762 1.268 113 HD13 LEU 13 HD13 LEU 13 5.903 16.602 2.567 114 HD21 LEU 13 HD21 LEU 13 6.788 18.996 3.172 115 HD22 LEU 13 HD22 LEU 13 8.243 19.435 2.276 116 HD23 LEU 13 HD23 LEU 13 8.374 18.806 3.920 117 H GLN 14 H GLN 14 8.805 15.396 6.293 118 HA GLN 14 HA GLN 14 7.948 17.465 7.905 119 HB2 GLN 14 HB2 GLN 14 9.142 14.809 8.707 120 HB3 GLN 14 HB3 GLN 14 8.308 15.891 9.814 121 HG2 GLN 14 HG2 GLN 14 6.792 15.243 7.398 122 HG3 GLN 14 HG3 GLN 14 7.149 13.859 8.430 123 HE21 GLN 14 HE21 GLN 14 5.989 17.203 8.648 124 HE22 GLN 14 HE22 GLN 14 4.803 16.895 9.866 125 H ALA 15 H ALA 15 11.037 15.734 8.355 126 HA ALA 15 HA ALA 15 12.156 17.505 10.177 127 HB1 ALA 15 HB1 ALA 15 13.002 15.220 9.566 128 HB2 ALA 15 HB2 ALA 15 13.731 15.952 8.136 129 HB3 ALA 15 HB3 ALA 15 14.244 16.459 9.745 130 H TRP 16 H TRP 16 12.286 17.531 6.641 131 HA TRP 16 HA TRP 16 14.146 19.523 6.217 132 HB2 TRP 16 HB2 TRP 16 13.276 18.337 4.339 133 HB3 TRP 16 HB3 TRP 16 11.627 18.844 4.698 134 HD1 TRP 16 HD1 TRP 16 10.845 20.537 2.960 135 HE1 TRP 16 HE1 TRP 16 11.901 22.508 1.685 136 HE3 TRP 16 HE3 TRP 16 15.607 20.235 4.796 137 HZ2 TRP 16 HZ2 TRP 16 14.419 23.767 1.483 138 HZ3 TRP 16 HZ3 TRP 16 17.279 21.861 4.011 139 HH2 TRP 16 HH2 TRP 16 16.695 23.589 2.388 140 H GLU 17 H GLU 17 10.680 20.224 5.857 141 HA GLU 17 HA GLU 17 10.864 22.962 6.133 142 HB2 GLU 17 HB2 GLU 17 8.480 22.957 6.610 143 HB3 GLU 17 HB3 GLU 17 8.847 21.784 5.353 144 HG2 GLU 17 HG2 GLU 17 7.407 20.586 6.657 145 HG3 GLU 17 HG3 GLU 17 8.956 20.108 7.349 146 H ARG 18 H ARG 18 10.708 20.498 8.618 147 HA ARG 18 HA ARG 18 10.054 22.003 10.843 148 HB2 ARG 18 HB2 ARG 18 11.453 19.477 10.335 149 HB3 ARG 18 HB3 ARG 18 11.951 20.271 11.823 150 HG2 ARG 18 HG2 ARG 18 9.094 19.659 11.101 151 HG3 ARG 18 HG3 ARG 18 10.113 18.638 12.118 152 HD2 ARG 18 HD2 ARG 18 10.404 21.109 13.268 153 HD3 ARG 18 HD3 ARG 18 8.720 21.128 12.746 154 HE ARG 18 HE ARG 18 9.220 18.701 14.046 155 HH11 ARG 18 HH11 ARG 18 9.014 22.103 14.756 156 HH12 ARG 18 HH12 ARG 18 8.499 21.863 16.393 157 HH21 ARG 18 HH21 ARG 18 8.542 18.372 16.200 158 HH22 ARG 18 HH22 ARG 18 8.232 19.741 17.213 159 H ALA 19 H ALA 19 13.413 21.003 10.249 160 HA ALA 19 HA ALA 19 14.512 23.074 11.817 161 HB1 ALA 19 HB1 ALA 19 15.486 20.769 10.874 162 HB2 ALA 19 HB2 ALA 19 16.199 21.880 9.703 163 HB3 ALA 19 HB3 ALA 19 16.514 22.092 11.425 164 H PHE 20 H PHE 20 13.807 22.804 8.389 165 HA PHE 20 HA PHE 20 15.287 24.856 7.321 166 HB2 PHE 20 HB2 PHE 20 14.081 23.672 5.737 167 HB3 PHE 20 HB3 PHE 20 12.592 23.731 6.676 168 HD1 PHE 20 HD1 PHE 20 14.917 25.900 4.748 169 HD2 PHE 20 HD2 PHE 20 10.943 25.260 6.132 170 HE1 PHE 20 HE1 PHE 20 14.141 27.797 3.387 171 HE2 PHE 20 HE2 PHE 20 10.160 27.155 4.772 172 HZ PHE 20 HZ PHE 20 11.760 28.426 3.397 173 H ARG 21 H ARG 21 11.888 25.233 8.341 174 HA ARG 21 HA ARG 21 12.004 28.064 8.329 175 HB2 ARG 21 HB2 ARG 21 9.887 26.948 8.033 176 HB3 ARG 21 HB3 ARG 21 10.039 26.150 9.592 177 HG2 ARG 21 HG2 ARG 21 9.296 27.937 10.725 178 HG3 ARG 21 HG3 ARG 21 10.152 29.080 9.688 179 HD2 ARG 21 HD2 ARG 21 8.352 29.426 8.408 180 HD3 ARG 21 HD3 ARG 21 7.986 27.704 8.315 181 HE ARG 21 HE ARG 21 7.315 28.713 10.869 182 HH11 ARG 21 HH11 ARG 21 6.256 28.738 7.552 183 HH12 ARG 21 HH12 ARG 21 4.587 28.981 7.951 184 HH21 ARG 21 HH21 ARG 21 5.122 29.034 11.406 185 HH22 ARG 21 HH22 ARG 21 3.944 29.150 10.143 186 H ARG 22 H ARG 22 13.209 25.795 10.498 187 HA ARG 22 HA ARG 22 12.836 27.265 12.926 188 HB2 ARG 22 HB2 ARG 22 13.502 24.692 12.378 189 HB3 ARG 22 HB3 ARG 22 15.084 25.358 12.763 190 HG2 ARG 22 HG2 ARG 22 14.373 24.615 14.815 191 HG3 ARG 22 HG3 ARG 22 13.879 26.309 14.860 192 HD2 ARG 22 HD2 ARG 22 11.770 24.862 13.667 193 HD3 ARG 22 HD3 ARG 22 12.275 23.953 15.090 194 HE ARG 22 HE ARG 22 12.062 26.616 15.849 195 HH11 ARG 22 HH11 ARG 22 9.990 24.073 14.681 196 HH12 ARG 22 HH12 ARG 22 8.581 24.669 15.494 197 HH21 ARG 22 HH21 ARG 22 10.214 27.411 16.925 198 HH22 ARG 22 HH22 ARG 22 8.709 26.568 16.769 199 H GLN 23 H GLN 23 15.600 26.732 10.749 200 HA GLN 23 HA GLN 23 17.084 28.836 12.133 201 HB2 GLN 23 HB2 GLN 23 17.943 26.916 9.962 202 HB3 GLN 23 HB3 GLN 23 18.992 28.091 10.742 203 HG2 GLN 23 HG2 GLN 23 17.635 26.418 12.671 204 HG3 GLN 23 HG3 GLN 23 18.569 25.470 11.514 205 HE21 GLN 23 HE21 GLN 23 20.809 25.779 11.387 206 HE22 GLN 23 HE22 GLN 23 21.696 26.515 12.674 207 H ARG 24 H ARG 24 16.036 27.974 8.846 208 HA ARG 24 HA ARG 24 16.941 30.346 7.616 209 HB2 ARG 24 HB2 ARG 24 14.609 28.666 6.696 210 HB3 ARG 24 HB3 ARG 24 15.663 29.672 5.712 211 HG2 ARG 24 HG2 ARG 24 16.422 27.126 7.128 212 HG3 ARG 24 HG3 ARG 24 16.208 27.349 5.390 213 HD2 ARG 24 HD2 ARG 24 18.076 28.909 5.346 214 HD3 ARG 24 HD3 ARG 24 18.272 28.744 7.090 215 HE ARG 24 HE ARG 24 18.441 26.200 5.946 216 HH11 ARG 24 HH11 ARG 24 20.210 29.198 6.004 217 HH12 ARG 24 HH12 ARG 24 21.750 28.445 5.753 218 HH21 ARG 24 HH21 ARG 24 20.463 25.197 5.615 219 HH22 ARG 24 HH22 ARG 24 21.893 26.170 5.530 220 H GLY 25 H GLY 25 13.703 29.392 8.761 221 HA2 GLY 25 HA2 GLY 25 11.882 30.652 9.363 222 HA3 GLY 25 HA3 GLY 25 13.030 31.928 9.743 223 H ARG 26 H ARG 26 12.738 30.579 6.534 224 HA ARG 26 HA ARG 26 10.835 32.285 5.437 225 HB2 ARG 26 HB2 ARG 26 12.320 33.937 4.291 226 HB3 ARG 26 HB3 ARG 26 12.223 34.149 6.034 227 HG2 ARG 26 HG2 ARG 26 14.381 32.533 5.848 228 HG3 ARG 26 HG3 ARG 26 14.510 33.438 4.339 229 HD2 ARG 26 HD2 ARG 26 15.739 34.599 6.045 230 HD3 ARG 26 HD3 ARG 26 14.302 35.538 5.641 231 HE ARG 26 HE ARG 26 13.937 33.771 7.878 232 HH11 ARG 26 HH11 ARG 26 15.028 36.917 6.861 233 HH12 ARG 26 HH12 ARG 26 14.775 37.649 8.411 234 HH21 ARG 26 HH21 ARG 26 13.599 34.724 9.922 235 HH22 ARG 26 HH22 ARG 26 13.963 36.401 10.152 236 H ARG 27 H ARG 27 11.127 32.505 2.990 237 HA ARG 27 HA ARG 27 11.303 30.069 1.788 238 HB2 ARG 27 HB2 ARG 27 10.972 32.710 0.927 239 HB3 ARG 27 HB3 ARG 27 12.328 32.096 -0.010 240 HG2 ARG 27 HG2 ARG 27 10.175 30.176 0.096 241 HG3 ARG 27 HG3 ARG 27 9.628 31.732 -0.534 242 HD2 ARG 27 HD2 ARG 27 12.202 30.703 -1.568 243 HD3 ARG 27 HD3 ARG 27 10.747 29.839 -2.064 244 HE ARG 27 HE ARG 27 10.182 32.485 -2.490 245 HH11 ARG 27 HH11 ARG 27 12.642 30.262 -3.552 246 HH12 ARG 27 HH12 ARG 27 12.880 31.050 -5.077 247 HH21 ARG 27 HH21 ARG 27 10.486 33.531 -4.494 248 HH22 ARG 27 HH22 ARG 27 11.653 32.910 -5.611 249 HA PRO 28 HA PRO 28 15.546 28.893 1.749 250 HB2 PRO 28 HB2 PRO 28 15.475 27.125 -0.310 251 HB3 PRO 28 HB3 PRO 28 14.796 26.772 1.283 252 HG2 PRO 28 HG2 PRO 28 13.407 27.670 -1.212 253 HG3 PRO 28 HG3 PRO 28 12.917 26.429 -0.044 254 HD2 PRO 28 HD2 PRO 28 11.862 28.923 -0.047 255 HD3 PRO 28 HD3 PRO 28 12.076 27.979 1.441 256 H SER 29 H SER 29 17.442 28.819 0.316 257 HA SER 29 HA SER 29 17.214 30.791 -1.862 258 HB2 SER 29 HB2 SER 29 19.134 30.479 0.345 259 HB3 SER 29 HB3 SER 29 19.879 30.764 -1.227 260 HG SER 29 HG SER 29 19.459 32.750 -0.368 261 H GLN 30 H GLN 30 18.789 30.548 -3.629 262 HA GLN 30 HA GLN 30 18.677 28.018 -4.796 263 HB2 GLN 30 HB2 GLN 30 20.383 28.930 -6.401 264 HB3 GLN 30 HB3 GLN 30 18.950 29.929 -6.198 265 HG2 GLN 30 HG2 GLN 30 21.123 30.610 -4.374 266 HG3 GLN 30 HG3 GLN 30 21.530 30.805 -6.078 267 HE21 GLN 30 HE21 GLN 30 20.552 32.393 -7.265 268 HE22 GLN 30 HE22 GLN 30 19.545 33.613 -6.570 269 H ASP 31 H ASP 31 20.868 29.302 -2.491 270 HA ASP 31 HA ASP 31 23.093 27.618 -3.055 271 HB2 ASP 31 HB2 ASP 31 22.279 29.395 -0.797 272 HB3 ASP 31 HB3 ASP 31 23.556 28.214 -0.515 273 H ASP 32 H ASP 32 20.454 27.454 -0.682 274 HA ASP 32 HA ASP 32 21.310 24.862 0.259 275 HB2 ASP 32 HB2 ASP 32 19.681 26.932 1.260 276 HB3 ASP 32 HB3 ASP 32 18.624 25.538 1.056 277 H VAL 33 H VAL 33 18.927 26.159 -1.949 278 HA VAL 33 HA VAL 33 17.389 23.787 -2.233 279 HB VAL 33 HB VAL 33 17.703 26.122 -4.125 280 HG11 VAL 33 HG11 VAL 33 15.286 25.141 -4.709 281 HG12 VAL 33 HG12 VAL 33 16.753 24.631 -5.547 282 HG13 VAL 33 HG13 VAL 33 16.091 23.643 -4.243 283 HG21 VAL 33 HG21 VAL 33 16.354 27.258 -2.775 284 HG22 VAL 33 HG22 VAL 33 15.165 25.957 -2.810 285 HG23 VAL 33 HG23 VAL 33 16.456 25.939 -1.608 286 H GLU 34 H GLU 34 19.997 25.223 -4.179 287 HA GLU 34 HA GLU 34 20.059 23.036 -6.028 288 HB2 GLU 34 HB2 GLU 34 20.838 25.530 -6.316 289 HB3 GLU 34 HB3 GLU 34 22.357 24.919 -5.676 290 HG2 GLU 34 HG2 GLU 34 21.169 23.354 -7.867 291 HG3 GLU 34 HG3 GLU 34 21.738 24.969 -8.287 292 H ALA 35 H ALA 35 21.159 23.417 -2.891 293 HA ALA 35 HA ALA 35 23.594 21.927 -3.054 294 HB1 ALA 35 HB1 ALA 35 23.770 22.981 -1.098 295 HB2 ALA 35 HB2 ALA 35 22.028 23.231 -0.981 296 HB3 ALA 35 HB3 ALA 35 22.739 21.708 -0.444 297 H ALA 36 H ALA 36 20.224 21.136 -2.663 298 HA ALA 36 HA ALA 36 20.764 18.408 -1.845 299 HB1 ALA 36 HB1 ALA 36 18.079 18.590 -2.556 300 HB2 ALA 36 HB2 ALA 36 18.759 18.704 -0.932 301 HB3 ALA 36 HB3 ALA 36 18.477 20.168 -1.874 302 HA PRO 37 HA PRO 37 20.742 16.462 -5.778 303 HB2 PRO 37 HB2 PRO 37 19.269 14.226 -5.329 304 HB3 PRO 37 HB3 PRO 37 20.899 14.449 -4.683 305 HG2 PRO 37 HG2 PRO 37 18.257 14.830 -3.328 306 HG3 PRO 37 HG3 PRO 37 19.731 14.062 -2.710 307 HD2 PRO 37 HD2 PRO 37 19.024 16.593 -2.059 308 HD3 PRO 37 HD3 PRO 37 20.718 16.080 -2.197 309 H GLU 38 H GLU 38 19.084 15.157 -7.283 310 HA GLU 38 HA GLU 38 17.205 17.055 -8.181 311 HB2 GLU 38 HB2 GLU 38 18.185 15.505 -9.739 312 HB3 GLU 38 HB3 GLU 38 17.552 14.130 -8.846 313 HG2 GLU 38 HG2 GLU 38 15.456 14.363 -9.688 314 HG3 GLU 38 HG3 GLU 38 15.603 16.110 -9.872 315 H GLU 39 H GLU 39 16.609 13.796 -6.849 316 HA GLU 39 HA GLU 39 13.876 13.911 -6.629 317 HB2 GLU 39 HB2 GLU 39 14.150 12.325 -4.681 318 HB3 GLU 39 HB3 GLU 39 14.966 11.853 -6.165 319 HG2 GLU 39 HG2 GLU 39 17.061 12.848 -5.218 320 HG3 GLU 39 HG3 GLU 39 16.198 13.036 -3.693 321 H THR 40 H THR 40 16.249 14.947 -4.191 322 HA THR 40 HA THR 40 14.398 15.811 -2.267 323 HB THR 40 HB THR 40 17.212 16.802 -2.764 324 HG1 THR 40 HG1 THR 40 17.396 15.333 -0.768 325 HG21 THR 40 HG21 THR 40 17.154 17.569 -0.442 326 HG22 THR 40 HG22 THR 40 15.469 17.065 -0.310 327 HG23 THR 40 HG23 THR 40 15.915 18.376 -1.402 328 H ARG 41 H ARG 41 16.032 17.573 -4.878 329 HA ARG 41 HA ARG 41 15.095 20.131 -4.294 330 HB2 ARG 41 HB2 ARG 41 16.258 18.767 -6.617 331 HB3 ARG 41 HB3 ARG 41 15.205 20.111 -7.038 332 HG2 ARG 41 HG2 ARG 41 16.555 21.670 -5.991 333 HG3 ARG 41 HG3 ARG 41 17.331 20.458 -4.968 334 HD2 ARG 41 HD2 ARG 41 18.997 20.356 -6.432 335 HD3 ARG 41 HD3 ARG 41 17.867 19.707 -7.619 336 HE ARG 41 HE ARG 41 18.928 22.382 -7.509 337 HH11 ARG 41 HH11 ARG 41 16.360 20.348 -8.686 338 HH12 ARG 41 HH12 ARG 41 15.942 21.408 -9.991 339 HH21 ARG 41 HH21 ARG 41 18.388 23.786 -9.224 340 HH22 ARG 41 HH22 ARG 41 17.097 23.362 -10.297 341 H ALA 42 H ALA 42 13.590 17.496 -6.085 342 HA ALA 42 HA ALA 42 11.387 18.990 -7.064 343 HB1 ALA 42 HB1 ALA 42 12.155 16.149 -6.931 344 HB2 ALA 42 HB2 ALA 42 10.424 16.475 -7.026 345 HB3 ALA 42 HB3 ALA 42 11.507 17.091 -8.274 346 H LEU 43 H LEU 43 11.711 16.756 -4.307 347 HA LEU 43 HA LEU 43 9.087 17.062 -3.350 348 HB2 LEU 43 HB2 LEU 43 11.488 16.487 -1.638 349 HB3 LEU 43 HB3 LEU 43 9.820 15.983 -1.373 350 HG LEU 43 HG LEU 43 11.089 14.984 -3.844 351 HD11 LEU 43 HD11 LEU 43 12.708 14.917 -1.689 352 HD12 LEU 43 HD12 LEU 43 12.691 13.683 -2.948 353 HD13 LEU 43 HD13 LEU 43 11.797 13.426 -1.450 354 HD21 LEU 43 HD21 LEU 43 9.583 13.323 -3.616 355 HD22 LEU 43 HD22 LEU 43 8.784 14.473 -2.543 356 HD23 LEU 43 HD23 LEU 43 9.813 13.207 -1.871 357 H TYR 44 H TYR 44 12.095 18.737 -2.503 358 HA TYR 44 HA TYR 44 11.068 20.324 -0.437 359 HB2 TYR 44 HB2 TYR 44 13.398 20.629 -2.309 360 HB3 TYR 44 HB3 TYR 44 13.000 21.900 -1.158 361 HD1 TYR 44 HD1 TYR 44 12.188 18.623 0.016 362 HD2 TYR 44 HD2 TYR 44 15.373 21.421 -0.340 363 HE1 TYR 44 HE1 TYR 44 13.431 17.422 1.767 364 HE2 TYR 44 HE2 TYR 44 16.625 20.228 1.408 365 HH TYR 44 HH TYR 44 16.603 18.568 2.881 366 H ARG 45 H ARG 45 11.618 21.198 -3.852 367 HA ARG 45 HA ARG 45 10.374 23.717 -3.694 368 HB2 ARG 45 HB2 ARG 45 11.145 21.881 -5.923 369 HB3 ARG 45 HB3 ARG 45 10.107 23.256 -6.277 370 HG2 ARG 45 HG2 ARG 45 11.793 24.769 -5.367 371 HG3 ARG 45 HG3 ARG 45 12.833 23.390 -5.003 372 HD2 ARG 45 HD2 ARG 45 13.238 22.946 -7.252 373 HD3 ARG 45 HD3 ARG 45 11.823 23.853 -7.784 374 HE ARG 45 HE ARG 45 13.396 25.742 -6.640 375 HH11 ARG 45 HH11 ARG 45 13.916 23.334 -9.101 376 HH12 ARG 45 HH12 ARG 45 15.104 24.268 -9.948 377 HH21 ARG 45 HH21 ARG 45 14.959 26.981 -7.746 378 HH22 ARG 45 HH22 ARG 45 15.697 26.342 -9.176 379 H GLU 46 H GLU 46 9.104 20.517 -4.024 380 HA GLU 46 HA GLU 46 6.594 21.175 -5.159 381 HB2 GLU 46 HB2 GLU 46 7.393 18.896 -5.220 382 HB3 GLU 46 HB3 GLU 46 7.457 18.828 -3.464 383 HG2 GLU 46 HG2 GLU 46 5.289 18.341 -3.286 384 HG3 GLU 46 HG3 GLU 46 4.824 19.522 -4.509 385 H TYR 47 H TYR 47 7.488 20.414 -1.791 386 HA TYR 47 HA TYR 47 4.956 21.176 -0.743 387 HB2 TYR 47 HB2 TYR 47 6.313 19.588 0.466 388 HB3 TYR 47 HB3 TYR 47 7.631 20.746 0.598 389 HD1 TYR 47 HD1 TYR 47 4.025 20.400 1.517 390 HD2 TYR 47 HD2 TYR 47 7.851 21.938 2.565 391 HE1 TYR 47 HE1 TYR 47 3.117 21.178 3.667 392 HE2 TYR 47 HE2 TYR 47 6.954 22.719 4.718 393 HH TYR 47 HH TYR 47 3.641 22.883 5.377 394 H ARG 48 H ARG 48 7.888 22.876 -1.467 395 HA ARG 48 HA ARG 48 7.402 25.143 0.193 396 HB2 ARG 48 HB2 ARG 48 9.319 24.414 -1.947 397 HB3 ARG 48 HB3 ARG 48 9.037 26.133 -1.706 398 HG2 ARG 48 HG2 ARG 48 9.898 24.199 0.436 399 HG3 ARG 48 HG3 ARG 48 10.963 25.305 -0.435 400 HD2 ARG 48 HD2 ARG 48 10.554 26.674 1.304 401 HD3 ARG 48 HD3 ARG 48 9.062 27.021 0.430 402 HE ARG 48 HE ARG 48 7.924 26.052 2.145 403 HH11 ARG 48 HH11 ARG 48 11.175 24.806 2.144 404 HH12 ARG 48 HH12 ARG 48 10.956 23.869 3.585 405 HH21 ARG 48 HH21 ARG 48 7.623 24.823 4.043 406 HH22 ARG 48 HH22 ARG 48 8.935 23.879 4.664 407 H THR 49 H THR 49 6.774 24.381 -3.203 408 HA THR 49 HA THR 49 5.695 26.961 -3.813 409 HB THR 49 HB THR 49 5.496 24.345 -5.315 410 HG1 THR 49 HG1 THR 49 7.294 26.510 -5.318 411 HG21 THR 49 HG21 THR 49 3.733 25.513 -6.227 412 HG22 THR 49 HG22 THR 49 5.062 26.094 -7.231 413 HG23 THR 49 HG23 THR 49 4.465 27.083 -5.899 414 H LEU 50 H LEU 50 4.352 23.819 -2.935 415 HA LEU 50 HA LEU 50 1.634 24.532 -3.367 416 HB2 LEU 50 HB2 LEU 50 3.115 22.277 -2.206 417 HB3 LEU 50 HB3 LEU 50 1.511 22.538 -1.524 418 HG LEU 50 HG LEU 50 1.578 20.870 -3.365 419 HD11 LEU 50 HD11 LEU 50 -0.564 21.495 -3.329 420 HD12 LEU 50 HD12 LEU 50 -0.178 22.446 -4.762 421 HD13 LEU 50 HD13 LEU 50 -0.158 23.203 -3.169 422 HD21 LEU 50 HD21 LEU 50 1.968 23.175 -5.243 423 HD22 LEU 50 HD22 LEU 50 2.063 21.445 -5.572 424 HD23 LEU 50 HD23 LEU 50 3.336 22.237 -4.643 425 H LYS 51 H LYS 51 3.770 24.597 -0.560 426 HA LYS 51 HA LYS 51 1.727 25.367 1.285 427 HB2 LYS 51 HB2 LYS 51 3.768 24.211 2.015 428 HB3 LYS 51 HB3 LYS 51 4.736 25.587 1.503 429 HG2 LYS 51 HG2 LYS 51 2.556 26.112 3.436 430 HG3 LYS 51 HG3 LYS 51 3.968 25.227 4.020 431 HD2 LYS 51 HD2 LYS 51 4.783 27.473 2.416 432 HD3 LYS 51 HD3 LYS 51 3.698 28.000 3.705 433 HE2 LYS 51 HE2 LYS 51 5.124 26.725 5.313 434 HE3 LYS 51 HE3 LYS 51 6.254 26.427 3.993 435 HZ1 LYS 51 HZ1 LYS 51 6.607 28.781 3.768 436 HZ2 LYS 51 HZ2 LYS 51 6.886 28.335 5.375 437 HZ3 LYS 51 HZ3 LYS 51 5.448 29.119 4.953 438 H ARG 52 H ARG 52 4.283 27.100 -0.461 439 HA ARG 52 HA ARG 52 3.734 29.640 0.650 440 HB2 ARG 52 HB2 ARG 52 5.147 28.743 -1.852 441 HB3 ARG 52 HB3 ARG 52 4.944 30.448 -1.470 442 HG2 ARG 52 HG2 ARG 52 6.007 28.920 0.761 443 HG3 ARG 52 HG3 ARG 52 7.027 28.843 -0.677 444 HD2 ARG 52 HD2 ARG 52 7.635 30.716 0.790 445 HD3 ARG 52 HD3 ARG 52 7.093 31.262 -0.796 446 HE ARG 52 HE ARG 52 4.875 31.269 0.874 447 HH11 ARG 52 HH11 ARG 52 7.953 32.879 0.642 448 HH12 ARG 52 HH12 ARG 52 7.395 34.335 1.399 449 HH21 ARG 52 HH21 ARG 52 4.129 33.179 1.871 450 HH22 ARG 52 HH22 ARG 52 5.220 34.504 2.098 451 H THR 53 H THR 53 2.511 27.937 -2.177 452 HA THR 53 HA THR 53 1.021 30.199 -3.149 453 HB THR 53 HB THR 53 0.867 27.281 -3.932 454 HG1 THR 53 HG1 THR 53 2.877 28.293 -4.417 455 HG21 THR 53 HG21 THR 53 -1.180 28.254 -4.597 456 HG22 THR 53 HG22 THR 53 -0.161 28.285 -6.035 457 HG23 THR 53 HG23 THR 53 -0.398 29.754 -5.090 458 H THR 54 H THR 54 -0.018 26.979 -2.008 459 HA THR 54 HA THR 54 -2.717 27.719 -1.655 460 HB THR 54 HB THR 54 -1.425 25.497 -0.097 461 HG1 THR 54 HG1 THR 54 -2.305 25.201 -2.775 462 HG21 THR 54 HG21 THR 54 -4.104 26.339 -0.699 463 HG22 THR 54 HG22 THR 54 -3.557 25.042 0.365 464 HG23 THR 54 HG23 THR 54 -3.823 24.724 -1.349 465 H GLY 55 H GLY 55 -0.230 27.043 0.822 466 HA2 GLY 55 HA2 GLY 55 -1.858 28.399 2.822 467 HA3 GLY 55 HA3 GLY 55 -0.370 27.510 3.116 468 H GLN 56 H GLN 56 -1.063 30.209 0.908 469 HA GLN 56 HA GLN 56 1.361 31.531 1.488 470 HB2 GLN 56 HB2 GLN 56 0.548 33.312 0.114 471 HB3 GLN 56 HB3 GLN 56 0.011 31.800 -0.606 472 HG2 GLN 56 HG2 GLN 56 -2.004 32.722 -0.688 473 HG3 GLN 56 HG3 GLN 56 -2.072 32.464 1.054 474 HE21 GLN 56 HE21 GLN 56 -3.269 34.223 1.580 475 HE22 GLN 56 HE22 GLN 56 -2.732 35.851 1.375 Start of MODEL 10 1 H1 GLY 1 H GLY 1 6.378 -1.919 0.572 2 HA2 GLY 1 HA2 GLY 1 8.376 -1.409 -1.547 3 HA3 GLY 1 HA3 GLY 1 6.727 -1.912 -1.890 4 H SER 2 H SER 2 4.997 -0.429 -1.416 5 HA SER 2 HA SER 2 5.622 2.232 -2.186 6 HB2 SER 2 HB2 SER 2 3.053 2.408 -1.291 7 HB3 SER 2 HB3 SER 2 3.505 1.838 -2.898 8 HG SER 2 HG SER 2 2.360 0.483 -0.857 9 H MET 3 H MET 3 4.657 0.744 0.878 10 HA MET 3 HA MET 3 4.338 3.039 2.411 11 HB2 MET 3 HB2 MET 3 4.138 0.394 2.912 12 HB3 MET 3 HB3 MET 3 5.652 0.741 3.736 13 HG2 MET 3 HG2 MET 3 4.562 2.449 5.069 14 HG3 MET 3 HG3 MET 3 3.047 2.168 4.214 15 HE1 MET 3 HE1 MET 3 2.148 -0.964 4.395 16 HE2 MET 3 HE2 MET 3 1.335 -0.498 5.889 17 HE3 MET 3 HE3 MET 3 1.480 0.659 4.566 18 H GLU 4 H GLU 4 7.269 1.278 1.553 19 HA GLU 4 HA GLU 4 9.078 2.500 3.271 20 HB2 GLU 4 HB2 GLU 4 9.594 1.649 0.417 21 HB3 GLU 4 HB3 GLU 4 10.806 1.874 1.670 22 HG2 GLU 4 HG2 GLU 4 9.556 0.071 2.966 23 HG3 GLU 4 HG3 GLU 4 8.725 -0.271 1.449 24 H ARG 5 H ARG 5 8.196 3.467 -0.043 25 HA ARG 5 HA ARG 5 9.782 5.775 -0.143 26 HB2 ARG 5 HB2 ARG 5 7.193 5.150 -1.574 27 HB3 ARG 5 HB3 ARG 5 8.263 6.485 -1.981 28 HG2 ARG 5 HG2 ARG 5 9.622 3.909 -1.886 29 HG3 ARG 5 HG3 ARG 5 8.331 3.984 -3.086 30 HD2 ARG 5 HD2 ARG 5 9.447 6.295 -3.659 31 HD3 ARG 5 HD3 ARG 5 10.858 5.553 -2.905 32 HE ARG 5 HE ARG 5 9.817 4.985 -5.483 33 HH11 ARG 5 HH11 ARG 5 11.347 3.498 -2.732 34 HH12 ARG 5 HH12 ARG 5 12.069 2.224 -3.658 35 HH21 ARG 5 HH21 ARG 5 10.762 3.313 -6.713 36 HH22 ARG 5 HH22 ARG 5 11.737 2.120 -5.922 37 H LEU 6 H LEU 6 6.506 5.246 1.039 38 HA LEU 6 HA LEU 6 5.742 7.922 1.363 39 HB2 LEU 6 HB2 LEU 6 4.083 6.242 1.507 40 HB3 LEU 6 HB3 LEU 6 4.945 5.402 2.794 41 HG LEU 6 HG LEU 6 4.238 8.090 3.591 42 HD11 LEU 6 HD11 LEU 6 2.119 6.364 2.392 43 HD12 LEU 6 HD12 LEU 6 2.327 8.113 2.309 44 HD13 LEU 6 HD13 LEU 6 1.744 7.364 3.795 45 HD21 LEU 6 HD21 LEU 6 4.902 6.173 5.043 46 HD22 LEU 6 HD22 LEU 6 3.351 5.419 4.670 47 HD23 LEU 6 HD23 LEU 6 3.399 6.961 5.525 48 H ARG 7 H ARG 7 7.085 5.664 3.776 49 HA ARG 7 HA ARG 7 7.307 7.514 5.863 50 HB2 ARG 7 HB2 ARG 7 7.490 5.039 6.101 51 HB3 ARG 7 HB3 ARG 7 9.083 5.121 5.360 52 HG2 ARG 7 HG2 ARG 7 9.942 5.410 7.377 53 HG3 ARG 7 HG3 ARG 7 9.128 6.974 7.454 54 HD2 ARG 7 HD2 ARG 7 7.457 6.192 8.780 55 HD3 ARG 7 HD3 ARG 7 7.499 4.581 8.067 56 HE ARG 7 HE ARG 7 9.828 4.708 9.431 57 HH11 ARG 7 HH11 ARG 7 6.514 5.330 10.299 58 HH12 ARG 7 HH12 ARG 7 6.723 4.863 11.954 59 HH21 ARG 7 HH21 ARG 7 10.116 4.091 11.608 60 HH22 ARG 7 HH22 ARG 7 8.772 4.159 12.698 61 H ASP 8 H ASP 8 9.642 6.558 3.372 62 HA ASP 8 HA ASP 8 11.803 8.093 4.301 63 HB2 ASP 8 HB2 ASP 8 11.120 7.216 1.488 64 HB3 ASP 8 HB3 ASP 8 12.673 7.884 1.980 65 H VAL 9 H VAL 9 9.614 8.817 1.574 66 HA VAL 9 HA VAL 9 10.469 11.417 1.111 67 HB VAL 9 HB VAL 9 7.689 10.294 0.734 68 HG11 VAL 9 HG11 VAL 9 8.872 12.917 0.159 69 HG12 VAL 9 HG12 VAL 9 8.015 12.180 -1.195 70 HG13 VAL 9 HG13 VAL 9 7.182 12.447 0.337 71 HG21 VAL 9 HG21 VAL 9 9.728 9.186 -0.397 72 HG22 VAL 9 HG22 VAL 9 8.330 9.595 -1.390 73 HG23 VAL 9 HG23 VAL 9 9.757 10.631 -1.407 74 H ARG 10 H ARG 10 7.765 10.311 3.146 75 HA ARG 10 HA ARG 10 6.945 12.841 4.025 76 HB2 ARG 10 HB2 ARG 10 5.606 10.781 4.289 77 HB3 ARG 10 HB3 ARG 10 6.752 10.205 5.493 78 HG2 ARG 10 HG2 ARG 10 5.167 11.065 6.869 79 HG3 ARG 10 HG3 ARG 10 6.156 12.509 6.641 80 HD2 ARG 10 HD2 ARG 10 4.619 13.507 5.252 81 HD3 ARG 10 HD3 ARG 10 3.929 11.968 4.737 82 HE ARG 10 HE ARG 10 3.300 12.143 7.386 83 HH11 ARG 10 HH11 ARG 10 2.790 14.165 4.598 84 HH12 ARG 10 HH12 ARG 10 1.308 14.836 5.193 85 HH21 ARG 10 HH21 ARG 10 1.349 13.019 8.180 86 HH22 ARG 10 HH22 ARG 10 0.489 14.184 7.231 87 H GLU 11 H GLU 11 9.490 10.708 5.133 88 HA GLU 11 HA GLU 11 9.987 12.011 7.604 89 HB2 GLU 11 HB2 GLU 11 10.777 9.757 7.247 90 HB3 GLU 11 HB3 GLU 11 11.750 10.270 5.876 91 HG2 GLU 11 HG2 GLU 11 13.172 11.576 7.345 92 HG3 GLU 11 HG3 GLU 11 12.177 11.129 8.729 93 H ARG 12 H ARG 12 11.789 12.108 4.524 94 HA ARG 12 HA ARG 12 13.586 14.110 5.226 95 HB2 ARG 12 HB2 ARG 12 13.827 14.492 2.780 96 HB3 ARG 12 HB3 ARG 12 13.917 12.795 3.232 97 HG2 ARG 12 HG2 ARG 12 11.621 12.460 2.509 98 HG3 ARG 12 HG3 ARG 12 11.492 14.171 2.097 99 HD2 ARG 12 HD2 ARG 12 11.943 13.156 0.053 100 HD3 ARG 12 HD3 ARG 12 13.521 13.740 0.577 101 HE ARG 12 HE ARG 12 12.948 11.021 1.338 102 HH11 ARG 12 HH11 ARG 12 14.259 13.115 -1.114 103 HH12 ARG 12 HH12 ARG 12 15.251 11.883 -1.821 104 HH21 ARG 12 HH21 ARG 12 14.250 9.390 0.417 105 HH22 ARG 12 HH22 ARG 12 15.244 9.764 -0.950 106 H LEU 13 H LEU 13 10.312 14.344 3.947 107 HA LEU 13 HA LEU 13 10.323 17.118 3.432 108 HB2 LEU 13 HB2 LEU 13 8.563 15.048 3.050 109 HB3 LEU 13 HB3 LEU 13 7.759 16.010 4.288 110 HG LEU 13 HG LEU 13 8.656 17.025 1.591 111 HD11 LEU 13 HD11 LEU 13 5.806 16.951 2.319 112 HD12 LEU 13 HD12 LEU 13 6.561 15.386 2.022 113 HD13 LEU 13 HD13 LEU 13 6.597 16.632 0.775 114 HD21 LEU 13 HD21 LEU 13 8.261 18.453 3.913 115 HD22 LEU 13 HD22 LEU 13 6.707 18.580 3.088 116 HD23 LEU 13 HD23 LEU 13 8.184 19.096 2.272 117 H GLN 14 H GLN 14 8.970 15.300 6.188 118 HA GLN 14 HA GLN 14 8.140 17.427 7.733 119 HB2 GLN 14 HB2 GLN 14 9.305 14.782 8.611 120 HB3 GLN 14 HB3 GLN 14 8.502 15.911 9.695 121 HG2 GLN 14 HG2 GLN 14 7.015 15.093 7.275 122 HG3 GLN 14 HG3 GLN 14 7.250 13.873 8.526 123 HE21 GLN 14 HE21 GLN 14 6.140 14.022 10.413 124 HE22 GLN 14 HE22 GLN 14 4.937 15.221 10.729 125 H ALA 15 H ALA 15 11.263 15.731 8.068 126 HA ALA 15 HA ALA 15 12.410 17.471 9.910 127 HB1 ALA 15 HB1 ALA 15 13.212 15.198 8.532 128 HB2 ALA 15 HB2 ALA 15 14.376 16.436 8.059 129 HB3 ALA 15 HB3 ALA 15 14.128 16.065 9.765 130 H TRP 16 H TRP 16 12.463 17.572 6.368 131 HA TRP 16 HA TRP 16 14.249 19.637 5.964 132 HB2 TRP 16 HB2 TRP 16 13.425 18.466 4.065 133 HB3 TRP 16 HB3 TRP 16 11.754 18.867 4.453 134 HD1 TRP 16 HD1 TRP 16 10.871 20.513 2.717 135 HE1 TRP 16 HE1 TRP 16 11.786 22.584 1.493 136 HE3 TRP 16 HE3 TRP 16 15.622 20.537 4.604 137 HZ2 TRP 16 HZ2 TRP 16 14.202 24.036 1.346 138 HZ3 TRP 16 HZ3 TRP 16 17.174 22.300 3.870 139 HH2 TRP 16 HH2 TRP 16 16.477 24.012 2.274 140 H GLU 17 H GLU 17 10.746 20.189 5.685 141 HA GLU 17 HA GLU 17 10.805 22.930 5.967 142 HB2 GLU 17 HB2 GLU 17 8.443 22.806 6.538 143 HB3 GLU 17 HB3 GLU 17 8.820 21.661 5.258 144 HG2 GLU 17 HG2 GLU 17 8.821 19.836 6.843 145 HG3 GLU 17 HG3 GLU 17 8.547 20.961 8.172 146 H ARG 18 H ARG 18 10.836 20.459 8.455 147 HA ARG 18 HA ARG 18 10.208 21.950 10.700 148 HB2 ARG 18 HB2 ARG 18 11.659 19.463 10.149 149 HB3 ARG 18 HB3 ARG 18 12.185 20.274 11.618 150 HG2 ARG 18 HG2 ARG 18 9.317 19.607 11.002 151 HG3 ARG 18 HG3 ARG 18 10.394 18.580 11.951 152 HD2 ARG 18 HD2 ARG 18 10.766 20.595 13.444 153 HD3 ARG 18 HD3 ARG 18 9.417 21.351 12.597 154 HE ARG 18 HE ARG 18 9.258 19.363 14.625 155 HH11 ARG 18 HH11 ARG 18 7.723 20.497 11.714 156 HH12 ARG 18 HH12 ARG 18 6.161 19.883 12.142 157 HH21 ARG 18 HH21 ARG 18 7.206 18.550 15.201 158 HH22 ARG 18 HH22 ARG 18 5.868 18.776 14.127 159 H ALA 19 H ALA 19 13.572 21.046 9.990 160 HA ALA 19 HA ALA 19 14.670 23.140 11.522 161 HB1 ALA 19 HB1 ALA 19 15.710 21.092 9.662 162 HB2 ALA 19 HB2 ALA 19 16.730 22.506 9.936 163 HB3 ALA 19 HB3 ALA 19 16.222 21.508 11.298 164 H PHE 20 H PHE 20 13.848 22.869 8.119 165 HA PHE 20 HA PHE 20 15.220 24.978 7.017 166 HB2 PHE 20 HB2 PHE 20 13.993 23.734 5.483 167 HB3 PHE 20 HB3 PHE 20 12.527 23.792 6.455 168 HD1 PHE 20 HD2 PHE 20 14.789 25.964 4.457 169 HD2 PHE 20 HD1 PHE 20 10.850 25.293 5.926 170 HE1 PHE 20 HE2 PHE 20 13.965 27.839 3.094 171 HE2 PHE 20 HE1 PHE 20 10.020 27.167 4.564 172 HZ PHE 20 HZ PHE 20 11.578 28.443 3.147 173 H ARG 21 H ARG 21 11.842 25.231 8.139 174 HA ARG 21 HA ARG 21 11.856 28.062 8.147 175 HB2 ARG 21 HB2 ARG 21 9.771 26.872 7.921 176 HB3 ARG 21 HB3 ARG 21 10.009 26.070 9.467 177 HG2 ARG 21 HG2 ARG 21 9.248 27.824 10.642 178 HG3 ARG 21 HG3 ARG 21 10.016 29.003 9.578 179 HD2 ARG 21 HD2 ARG 21 8.155 29.280 8.368 180 HD3 ARG 21 HD3 ARG 21 7.848 27.545 8.290 181 HE ARG 21 HE ARG 21 7.254 28.650 10.859 182 HH11 ARG 21 HH11 ARG 21 6.035 28.199 7.629 183 HH12 ARG 21 HH12 ARG 21 4.371 28.280 8.106 184 HH21 ARG 21 HH21 ARG 21 5.067 28.759 11.499 185 HH22 ARG 21 HH22 ARG 21 3.822 28.599 10.307 186 H ARG 22 H ARG 22 13.217 25.828 10.261 187 HA ARG 22 HA ARG 22 12.879 27.274 12.709 188 HB2 ARG 22 HB2 ARG 22 13.632 24.729 12.110 189 HB3 ARG 22 HB3 ARG 22 15.190 25.459 12.472 190 HG2 ARG 22 HG2 ARG 22 13.227 26.194 14.449 191 HG3 ARG 22 HG3 ARG 22 13.344 24.441 14.284 192 HD2 ARG 22 HD2 ARG 22 15.824 26.099 14.478 193 HD3 ARG 22 HD3 ARG 22 14.915 25.700 15.935 194 HE ARG 22 HE ARG 22 15.380 23.366 14.419 195 HH11 ARG 22 HH11 ARG 22 17.030 25.668 16.443 196 HH12 ARG 22 HH12 ARG 22 18.235 24.540 16.969 197 HH21 ARG 22 HH21 ARG 22 16.960 21.870 15.105 198 HH22 ARG 22 HH22 ARG 22 18.194 22.380 16.207 199 H GLN 23 H GLN 23 15.588 26.844 10.440 200 HA GLN 23 HA GLN 23 17.038 29.000 11.778 201 HB2 GLN 23 HB2 GLN 23 17.850 27.013 9.656 202 HB3 GLN 23 HB3 GLN 23 18.888 28.327 10.192 203 HG2 GLN 23 HG2 GLN 23 17.827 26.086 11.898 204 HG3 GLN 23 HG3 GLN 23 19.477 26.261 11.301 205 HE21 GLN 23 HE21 GLN 23 20.580 28.308 11.954 206 HE22 GLN 23 HE22 GLN 23 20.319 28.868 13.568 207 H ARG 24 H ARG 24 15.914 28.104 8.526 208 HA ARG 24 HA ARG 24 16.693 30.503 7.267 209 HB2 ARG 24 HB2 ARG 24 14.386 28.747 6.432 210 HB3 ARG 24 HB3 ARG 24 15.367 29.790 5.411 211 HG2 ARG 24 HG2 ARG 24 16.269 27.273 6.794 212 HG3 ARG 24 HG3 ARG 24 15.975 27.484 5.067 213 HD2 ARG 24 HD2 ARG 24 18.107 28.067 4.838 214 HD3 ARG 24 HD3 ARG 24 17.761 29.514 5.784 215 HE ARG 24 HE ARG 24 18.247 27.291 7.476 216 HH11 ARG 24 HH11 ARG 24 19.852 29.605 5.429 217 HH12 ARG 24 HH12 ARG 24 21.348 29.534 6.300 218 HH21 ARG 24 HH21 ARG 24 20.212 27.188 8.631 219 HH22 ARG 24 HH22 ARG 24 21.552 28.158 8.121 220 H GLY 25 H GLY 25 13.669 29.497 8.808 221 HA2 GLY 25 HA2 GLY 25 11.780 30.681 9.371 222 HA3 GLY 25 HA3 GLY 25 12.911 31.977 9.731 223 H ARG 26 H ARG 26 12.478 30.654 6.519 224 HA ARG 26 HA ARG 26 10.514 32.339 5.524 225 HB2 ARG 26 HB2 ARG 26 12.966 33.721 6.060 226 HB3 ARG 26 HB3 ARG 26 12.702 33.678 4.322 227 HG2 ARG 26 HG2 ARG 26 10.245 34.392 5.146 228 HG3 ARG 26 HG3 ARG 26 11.224 35.102 6.431 229 HD2 ARG 26 HD2 ARG 26 12.455 36.413 4.896 230 HD3 ARG 26 HD3 ARG 26 11.834 35.510 3.515 231 HE ARG 26 HE ARG 26 9.765 36.809 5.003 232 HH11 ARG 26 HH11 ARG 26 12.205 37.267 2.562 233 HH12 ARG 26 HH12 ARG 26 11.389 38.598 1.811 234 HH21 ARG 26 HH21 ARG 26 8.682 38.561 4.024 235 HH22 ARG 26 HH22 ARG 26 9.386 39.334 2.644 236 H ARG 27 H ARG 27 10.901 32.736 3.031 237 HA ARG 27 HA ARG 27 10.953 30.332 1.742 238 HB2 ARG 27 HB2 ARG 27 11.469 33.131 0.845 239 HB3 ARG 27 HB3 ARG 27 11.793 31.820 -0.282 240 HG2 ARG 27 HG2 ARG 27 9.450 31.030 0.098 241 HG3 ARG 27 HG3 ARG 27 9.172 32.508 1.021 242 HD2 ARG 27 HD2 ARG 27 10.367 33.312 -1.385 243 HD3 ARG 27 HD3 ARG 27 9.164 32.101 -1.825 244 HE ARG 27 HE ARG 27 7.503 33.559 -1.199 245 HH11 ARG 27 HH11 ARG 27 10.578 34.735 -0.068 246 HH12 ARG 27 HH12 ARG 27 9.959 36.281 0.409 247 HH21 ARG 27 HH21 ARG 27 6.675 35.590 -0.574 248 HH22 ARG 27 HH22 ARG 27 7.738 36.766 0.122 249 HA PRO 28 HA PRO 28 15.116 28.914 1.667 250 HB2 PRO 28 HB2 PRO 28 15.014 27.342 -0.544 251 HB3 PRO 28 HB3 PRO 28 14.261 26.892 0.991 252 HG2 PRO 28 HG2 PRO 28 13.012 28.089 -1.453 253 HG3 PRO 28 HG3 PRO 28 12.412 26.781 -0.416 254 HD2 PRO 28 HD2 PRO 28 11.504 29.325 -0.226 255 HD3 PRO 28 HD3 PRO 28 11.612 28.242 1.177 256 H SER 29 H SER 29 17.015 28.729 0.159 257 HA SER 29 HA SER 29 16.965 30.856 -1.879 258 HB2 SER 29 HB2 SER 29 18.520 30.727 0.528 259 HB3 SER 29 HB3 SER 29 19.602 30.632 -0.861 260 HG SER 29 HG SER 29 19.330 32.705 -0.987 261 H GLN 30 H GLN 30 18.641 30.655 -3.538 262 HA GLN 30 HA GLN 30 18.668 28.136 -4.732 263 HB2 GLN 30 HB2 GLN 30 20.180 29.060 -6.349 264 HB3 GLN 30 HB3 GLN 30 19.033 30.315 -5.899 265 HG2 GLN 30 HG2 GLN 30 21.208 30.571 -4.144 266 HG3 GLN 30 HG3 GLN 30 21.887 30.330 -5.753 267 HE21 GLN 30 HE21 GLN 30 20.407 32.504 -3.623 268 HE22 GLN 30 HE22 GLN 30 20.223 33.829 -4.715 269 H ASP 31 H ASP 31 20.672 29.446 -2.274 270 HA ASP 31 HA ASP 31 22.966 27.814 -2.697 271 HB2 ASP 31 HB2 ASP 31 22.592 29.988 -1.221 272 HB3 ASP 31 HB3 ASP 31 22.266 28.795 0.033 273 H ASP 32 H ASP 32 20.169 27.565 -0.521 274 HA ASP 32 HA ASP 32 21.016 24.982 0.454 275 HB2 ASP 32 HB2 ASP 32 19.296 27.006 1.375 276 HB3 ASP 32 HB3 ASP 32 18.266 25.611 1.065 277 H VAL 33 H VAL 33 18.756 26.257 -1.893 278 HA VAL 33 HA VAL 33 17.291 23.859 -2.307 279 HB VAL 33 HB VAL 33 17.690 26.211 -4.160 280 HG11 VAL 33 HG11 VAL 33 16.040 23.742 -4.348 281 HG12 VAL 33 HG12 VAL 33 15.374 25.253 -4.969 282 HG13 VAL 33 HG13 VAL 33 16.894 24.629 -5.610 283 HG21 VAL 33 HG21 VAL 33 16.384 26.115 -1.726 284 HG22 VAL 33 HG22 VAL 33 16.141 27.316 -2.994 285 HG23 VAL 33 HG23 VAL 33 15.090 25.903 -2.906 286 H GLU 34 H GLU 34 19.994 25.364 -4.063 287 HA GLU 34 HA GLU 34 20.227 23.192 -5.915 288 HB2 GLU 34 HB2 GLU 34 20.971 25.710 -6.125 289 HB3 GLU 34 HB3 GLU 34 22.461 25.113 -5.409 290 HG2 GLU 34 HG2 GLU 34 23.137 24.454 -7.403 291 HG3 GLU 34 HG3 GLU 34 21.780 23.331 -7.481 292 H ALA 35 H ALA 35 21.127 23.596 -2.712 293 HA ALA 35 HA ALA 35 23.589 22.138 -2.734 294 HB1 ALA 35 HB1 ALA 35 22.632 21.926 -0.171 295 HB2 ALA 35 HB2 ALA 35 23.638 23.236 -0.790 296 HB3 ALA 35 HB3 ALA 35 21.884 23.417 -0.746 297 H ALA 36 H ALA 36 20.212 21.313 -2.503 298 HA ALA 36 HA ALA 36 20.740 18.597 -1.642 299 HB1 ALA 36 HB1 ALA 36 18.516 20.324 -1.575 300 HB2 ALA 36 HB2 ALA 36 18.065 18.948 -2.584 301 HB3 ALA 36 HB3 ALA 36 18.639 18.684 -0.937 302 HA PRO 37 HA PRO 37 20.931 16.630 -5.559 303 HB2 PRO 37 HB2 PRO 37 19.478 14.372 -5.160 304 HB3 PRO 37 HB3 PRO 37 21.074 14.626 -4.444 305 HG2 PRO 37 HG2 PRO 37 18.368 14.970 -3.211 306 HG3 PRO 37 HG3 PRO 37 19.826 14.231 -2.522 307 HD2 PRO 37 HD2 PRO 37 19.048 16.754 -1.921 308 HD3 PRO 37 HD3 PRO 37 20.755 16.270 -1.980 309 H GLU 38 H GLU 38 19.461 15.429 -7.224 310 HA GLU 38 HA GLU 38 17.551 17.247 -8.159 311 HB2 GLU 38 HB2 GLU 38 18.868 15.278 -9.339 312 HB3 GLU 38 HB3 GLU 38 17.400 14.382 -8.980 313 HG2 GLU 38 HG2 GLU 38 16.780 15.149 -10.997 314 HG3 GLU 38 HG3 GLU 38 16.318 16.574 -10.069 315 H GLU 39 H GLU 39 16.961 13.935 -6.962 316 HA GLU 39 HA GLU 39 14.222 13.985 -6.875 317 HB2 GLU 39 HB2 GLU 39 16.331 12.475 -5.512 318 HB3 GLU 39 HB3 GLU 39 14.831 12.564 -4.600 319 HG2 GLU 39 HG2 GLU 39 13.600 11.578 -6.391 320 HG3 GLU 39 HG3 GLU 39 14.995 11.669 -7.465 321 H THR 40 H THR 40 16.379 14.822 -4.161 322 HA THR 40 HA THR 40 14.407 15.655 -2.380 323 HB THR 40 HB THR 40 17.246 16.669 -2.619 324 HG1 THR 40 HG1 THR 40 17.426 15.106 -0.784 325 HG21 THR 40 HG21 THR 40 16.464 18.202 -1.143 326 HG22 THR 40 HG22 THR 40 16.648 16.871 0.000 327 HG23 THR 40 HG23 THR 40 15.068 17.220 -0.700 328 H ARG 41 H ARG 41 16.167 17.488 -4.845 329 HA ARG 41 HA ARG 41 15.267 20.044 -4.217 330 HB2 ARG 41 HB2 ARG 41 16.373 18.710 -6.607 331 HB3 ARG 41 HB3 ARG 41 15.437 20.165 -6.925 332 HG2 ARG 41 HG2 ARG 41 16.890 21.509 -5.669 333 HG3 ARG 41 HG3 ARG 41 17.645 20.113 -4.897 334 HD2 ARG 41 HD2 ARG 41 19.222 20.200 -6.461 335 HD3 ARG 41 HD3 ARG 41 17.999 19.713 -7.634 336 HE ARG 41 HE ARG 41 19.126 22.345 -7.284 337 HH11 ARG 41 HH11 ARG 41 16.469 20.482 -8.545 338 HH12 ARG 41 HH12 ARG 41 16.002 21.686 -9.700 339 HH21 ARG 41 HH21 ARG 41 18.521 23.938 -8.800 340 HH22 ARG 41 HH22 ARG 41 17.171 23.651 -9.845 341 H ALA 42 H ALA 42 13.777 17.548 -6.235 342 HA ALA 42 HA ALA 42 11.601 19.118 -7.128 343 HB1 ALA 42 HB1 ALA 42 10.548 16.877 -7.617 344 HB2 ALA 42 HB2 ALA 42 12.122 17.166 -8.360 345 HB3 ALA 42 HB3 ALA 42 11.997 16.142 -6.930 346 H LEU 43 H LEU 43 11.868 16.729 -4.501 347 HA LEU 43 HA LEU 43 9.232 16.939 -3.580 348 HB2 LEU 43 HB2 LEU 43 11.616 16.380 -1.837 349 HB3 LEU 43 HB3 LEU 43 9.959 15.820 -1.621 350 HG LEU 43 HG LEU 43 11.296 14.939 -4.099 351 HD11 LEU 43 HD11 LEU 43 13.109 14.063 -3.178 352 HD12 LEU 43 HD12 LEU 43 12.087 13.096 -2.115 353 HD13 LEU 43 HD13 LEU 43 12.639 14.689 -1.597 354 HD21 LEU 43 HD21 LEU 43 9.873 13.187 -3.923 355 HD22 LEU 43 HD22 LEU 43 8.986 14.318 -2.901 356 HD23 LEU 43 HD23 LEU 43 10.025 13.095 -2.168 357 H TYR 44 H TYR 44 12.180 18.563 -2.419 358 HA TYR 44 HA TYR 44 11.008 20.087 -0.407 359 HB2 TYR 44 HB2 TYR 44 13.444 20.509 -2.119 360 HB3 TYR 44 HB3 TYR 44 12.968 21.693 -0.907 361 HD1 TYR 44 HD1 TYR 44 12.050 18.433 0.113 362 HD2 TYR 44 HD2 TYR 44 15.374 21.078 -0.117 363 HE1 TYR 44 HE1 TYR 44 13.205 17.122 1.844 364 HE2 TYR 44 HE2 TYR 44 16.539 19.774 1.613 365 HH TYR 44 HH TYR 44 16.171 16.997 2.384 366 H ARG 45 H ARG 45 11.646 20.987 -3.793 367 HA ARG 45 HA ARG 45 10.477 23.546 -3.640 368 HB2 ARG 45 HB2 ARG 45 11.217 21.692 -5.865 369 HB3 ARG 45 HB3 ARG 45 10.223 23.097 -6.225 370 HG2 ARG 45 HG2 ARG 45 12.069 24.402 -4.945 371 HG3 ARG 45 HG3 ARG 45 13.047 22.971 -5.274 372 HD2 ARG 45 HD2 ARG 45 13.273 23.492 -7.438 373 HD3 ARG 45 HD3 ARG 45 11.569 23.914 -7.602 374 HE ARG 45 HE ARG 45 13.759 25.708 -7.135 375 HH11 ARG 45 HH11 ARG 45 10.335 25.223 -6.739 376 HH12 ARG 45 HH12 ARG 45 9.971 26.915 -6.667 377 HH21 ARG 45 HH21 ARG 45 13.293 27.939 -7.041 378 HH22 ARG 45 HH22 ARG 45 11.654 28.459 -6.839 379 H GLU 46 H GLU 46 9.126 20.379 -4.006 380 HA GLU 46 HA GLU 46 6.638 21.132 -5.142 381 HB2 GLU 46 HB2 GLU 46 7.570 18.811 -5.134 382 HB3 GLU 46 HB3 GLU 46 7.228 18.726 -3.412 383 HG2 GLU 46 HG2 GLU 46 4.847 19.043 -3.873 384 HG3 GLU 46 HG3 GLU 46 5.196 19.107 -5.599 385 H TYR 47 H TYR 47 7.420 20.139 -1.804 386 HA TYR 47 HA TYR 47 4.932 20.987 -0.749 387 HB2 TYR 47 HB2 TYR 47 6.233 19.292 0.393 388 HB3 TYR 47 HB3 TYR 47 7.569 20.416 0.616 389 HD1 TYR 47 HD1 TYR 47 3.995 19.893 1.519 390 HD2 TYR 47 HD2 TYR 47 7.703 21.702 2.559 391 HE1 TYR 47 HE1 TYR 47 3.047 20.577 3.684 392 HE2 TYR 47 HE2 TYR 47 6.766 22.390 4.726 393 HH TYR 47 HH TYR 47 3.404 22.161 5.431 394 H ARG 48 H ARG 48 7.935 22.601 -1.370 395 HA ARG 48 HA ARG 48 7.516 24.812 0.382 396 HB2 ARG 48 HB2 ARG 48 9.755 24.418 -0.251 397 HB3 ARG 48 HB3 ARG 48 9.343 24.327 -1.959 398 HG2 ARG 48 HG2 ARG 48 8.801 26.886 -0.572 399 HG3 ARG 48 HG3 ARG 48 10.488 26.460 -0.868 400 HD2 ARG 48 HD2 ARG 48 9.150 25.884 -3.251 401 HD3 ARG 48 HD3 ARG 48 8.484 27.422 -2.705 402 HE ARG 48 HE ARG 48 11.165 26.920 -3.638 403 HH11 ARG 48 HH11 ARG 48 9.092 29.034 -1.808 404 HH12 ARG 48 HH12 ARG 48 10.124 30.414 -1.984 405 HH21 ARG 48 HH21 ARG 48 12.534 28.729 -3.877 406 HH22 ARG 48 HH22 ARG 48 12.082 30.239 -3.162 407 H THR 49 H THR 49 6.939 24.242 -3.065 408 HA THR 49 HA THR 49 5.982 26.874 -3.595 409 HB THR 49 HB THR 49 5.615 24.311 -5.157 410 HG1 THR 49 HG1 THR 49 7.330 25.126 -6.382 411 HG21 THR 49 HG21 THR 49 4.629 27.062 -5.586 412 HG22 THR 49 HG22 THR 49 3.994 25.525 -6.173 413 HG23 THR 49 HG23 THR 49 5.366 26.279 -6.983 414 H LEU 50 H LEU 50 4.454 23.807 -2.764 415 HA LEU 50 HA LEU 50 1.782 24.721 -3.162 416 HB2 LEU 50 HB2 LEU 50 3.114 22.307 -2.191 417 HB3 LEU 50 HB3 LEU 50 1.583 22.645 -1.385 418 HG LEU 50 HG LEU 50 0.616 22.828 -3.767 419 HD11 LEU 50 HD11 LEU 50 3.130 22.681 -4.607 420 HD12 LEU 50 HD12 LEU 50 1.783 22.046 -5.551 421 HD13 LEU 50 HD13 LEU 50 2.767 20.955 -4.575 422 HD21 LEU 50 HD21 LEU 50 0.589 20.237 -3.886 423 HD22 LEU 50 HD22 LEU 50 -0.156 21.048 -2.508 424 HD23 LEU 50 HD23 LEU 50 1.448 20.330 -2.348 425 H LYS 51 H LYS 51 3.970 24.569 -0.410 426 HA LYS 51 HA LYS 51 2.026 25.298 1.543 427 HB2 LYS 51 HB2 LYS 51 4.057 24.128 2.189 428 HB3 LYS 51 HB3 LYS 51 5.045 25.456 1.594 429 HG2 LYS 51 HG2 LYS 51 4.311 26.896 3.326 430 HG3 LYS 51 HG3 LYS 51 3.042 25.770 3.813 431 HD2 LYS 51 HD2 LYS 51 4.908 24.121 4.319 432 HD3 LYS 51 HD3 LYS 51 6.019 25.480 4.142 433 HE2 LYS 51 HE2 LYS 51 4.756 26.686 5.894 434 HE3 LYS 51 HE3 LYS 51 3.738 25.262 6.104 435 HZ1 LYS 51 HZ1 LYS 51 6.458 24.527 6.262 436 HZ2 LYS 51 HZ2 LYS 51 5.250 24.378 7.435 437 HZ3 LYS 51 HZ3 LYS 51 6.161 25.800 7.336 438 H ARG 52 H ARG 52 4.533 27.102 -0.211 439 HA ARG 52 HA ARG 52 3.971 29.600 0.999 440 HB2 ARG 52 HB2 ARG 52 5.563 28.646 -1.314 441 HB3 ARG 52 HB3 ARG 52 5.082 30.337 -1.339 442 HG2 ARG 52 HG2 ARG 52 7.314 29.956 -0.353 443 HG3 ARG 52 HG3 ARG 52 6.185 30.743 0.751 444 HD2 ARG 52 HD2 ARG 52 6.239 27.801 0.867 445 HD3 ARG 52 HD3 ARG 52 7.713 28.608 1.400 446 HE ARG 52 HE ARG 52 5.296 29.681 2.543 447 HH11 ARG 52 HH11 ARG 52 7.824 27.308 2.853 448 HH12 ARG 52 HH12 ARG 52 7.622 27.126 4.564 449 HH21 ARG 52 HH21 ARG 52 5.020 29.450 4.795 450 HH22 ARG 52 HH22 ARG 52 6.027 28.345 5.668 451 H THR 53 H THR 53 2.887 28.077 -2.007 452 HA THR 53 HA THR 53 1.381 30.313 -2.914 453 HB THR 53 HB THR 53 1.154 27.393 -3.666 454 HG1 THR 53 HG1 THR 53 2.679 29.571 -4.618 455 HG21 THR 53 HG21 THR 53 -0.234 29.844 -4.634 456 HG22 THR 53 HG22 THR 53 -0.842 28.198 -4.459 457 HG23 THR 53 HG23 THR 53 0.210 28.610 -5.812 458 H THR 54 H THR 54 0.252 27.140 -1.728 459 HA THR 54 HA THR 54 -2.423 27.965 -1.376 460 HB THR 54 HB THR 54 -1.068 25.695 0.085 461 HG1 THR 54 HG1 THR 54 -0.679 25.420 -2.114 462 HG21 THR 54 HG21 THR 54 -3.652 26.671 0.254 463 HG22 THR 54 HG22 THR 54 -3.114 25.062 0.737 464 HG23 THR 54 HG23 THR 54 -3.790 25.321 -0.871 465 H GLY 55 H GLY 55 0.004 27.184 1.131 466 HA2 GLY 55 HA2 GLY 55 0.466 28.690 2.951 467 HA3 GLY 55 HA3 GLY 55 -1.166 29.320 2.787 468 H GLN 56 H GLN 56 -0.814 25.913 2.583 469 HA GLN 56 HA GLN 56 -2.156 25.642 5.165 470 HB2 GLN 56 HB2 GLN 56 -2.514 24.408 2.684 471 HB3 GLN 56 HB3 GLN 56 -1.790 23.168 3.699 472 HG2 GLN 56 HG2 GLN 56 -3.548 23.317 5.283 473 HG3 GLN 56 HG3 GLN 56 -4.195 24.769 4.521 474 HE21 GLN 56 HE21 GLN 56 -3.105 21.700 3.136 475 HE22 GLN 56 HE22 GLN 56 -4.605 21.310 2.374 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.815 -2.372 -1.111 2 HA2 GLY 1 HA2 GLY 1 3.857 -0.720 -2.885 3 HA3 GLY 1 HA3 GLY 1 2.406 -0.443 -1.933 4 H SER 2 H SER 2 5.630 0.681 -2.656 5 HA SER 2 HA SER 2 6.672 2.678 -2.340 6 HB2 SER 2 HB2 SER 2 4.139 4.101 -1.711 7 HB3 SER 2 HB3 SER 2 5.425 4.532 -2.838 8 HG SER 2 HG SER 2 4.595 3.126 -4.322 9 H MET 3 H MET 3 6.577 1.035 -0.111 10 HA MET 3 HA MET 3 5.730 2.494 2.206 11 HB2 MET 3 HB2 MET 3 6.582 -0.145 1.632 12 HB3 MET 3 HB3 MET 3 7.682 0.495 2.845 13 HG2 MET 3 HG2 MET 3 5.176 1.257 3.737 14 HG3 MET 3 HG3 MET 3 4.936 -0.368 3.101 15 HE1 MET 3 HE1 MET 3 4.866 -2.066 4.320 16 HE2 MET 3 HE2 MET 3 6.507 -2.688 4.491 17 HE3 MET 3 HE3 MET 3 5.529 -2.374 5.925 18 H GLU 4 H GLU 4 8.982 1.418 1.194 19 HA GLU 4 HA GLU 4 10.452 2.958 2.949 20 HB2 GLU 4 HB2 GLU 4 12.262 2.853 1.142 21 HB3 GLU 4 HB3 GLU 4 11.634 1.325 1.744 22 HG2 GLU 4 HG2 GLU 4 10.284 1.033 -0.205 23 HG3 GLU 4 HG3 GLU 4 10.677 2.653 -0.778 24 H ARG 5 H ARG 5 9.210 3.833 -0.246 25 HA ARG 5 HA ARG 5 10.449 6.371 -0.383 26 HB2 ARG 5 HB2 ARG 5 9.449 5.078 -2.308 27 HB3 ARG 5 HB3 ARG 5 7.865 5.564 -1.718 28 HG2 ARG 5 HG2 ARG 5 8.223 7.178 -3.283 29 HG3 ARG 5 HG3 ARG 5 8.912 7.971 -1.864 30 HD2 ARG 5 HD2 ARG 5 10.740 8.251 -3.122 31 HD3 ARG 5 HD3 ARG 5 11.037 6.537 -2.832 32 HE ARG 5 HE ARG 5 10.590 6.144 -5.034 33 HH11 ARG 5 HH11 ARG 5 9.225 9.223 -4.153 34 HH12 ARG 5 HH12 ARG 5 8.746 9.621 -5.770 35 HH21 ARG 5 HH21 ARG 5 9.965 6.656 -7.167 36 HH22 ARG 5 HH22 ARG 5 9.166 8.159 -7.483 37 H LEU 6 H LEU 6 7.350 5.271 0.883 38 HA LEU 6 HA LEU 6 6.195 7.798 1.319 39 HB2 LEU 6 HB2 LEU 6 4.848 5.814 1.365 40 HB3 LEU 6 HB3 LEU 6 5.782 5.158 2.708 41 HG LEU 6 HG LEU 6 4.915 7.204 4.021 42 HD11 LEU 6 HD11 LEU 6 2.891 7.106 1.789 43 HD12 LEU 6 HD12 LEU 6 4.028 8.418 2.096 44 HD13 LEU 6 HD13 LEU 6 2.761 8.057 3.268 45 HD21 LEU 6 HD21 LEU 6 4.235 4.721 4.156 46 HD22 LEU 6 HD22 LEU 6 2.786 5.227 3.286 47 HD23 LEU 6 HD23 LEU 6 3.161 5.930 4.860 48 H ARG 7 H ARG 7 7.844 5.631 3.625 49 HA ARG 7 HA ARG 7 7.853 7.472 5.759 50 HB2 ARG 7 HB2 ARG 7 8.171 5.084 6.121 51 HB3 ARG 7 HB3 ARG 7 9.675 5.123 5.211 52 HG2 ARG 7 HG2 ARG 7 10.851 6.017 6.923 53 HG3 ARG 7 HG3 ARG 7 9.478 6.947 7.527 54 HD2 ARG 7 HD2 ARG 7 9.496 5.407 9.172 55 HD3 ARG 7 HD3 ARG 7 8.604 4.441 7.996 56 HE ARG 7 HE ARG 7 10.386 3.024 7.899 57 HH11 ARG 7 HH11 ARG 7 11.474 6.088 9.144 58 HH12 ARG 7 HH12 ARG 7 13.081 5.531 9.472 59 HH21 ARG 7 HH21 ARG 7 12.499 2.280 8.326 60 HH22 ARG 7 HH22 ARG 7 13.663 3.365 9.006 61 H ASP 8 H ASP 8 10.118 6.856 3.142 62 HA ASP 8 HA ASP 8 12.250 8.421 4.144 63 HB2 ASP 8 HB2 ASP 8 12.641 6.790 2.395 64 HB3 ASP 8 HB3 ASP 8 11.538 7.635 1.312 65 H VAL 9 H VAL 9 9.791 9.154 1.668 66 HA VAL 9 HA VAL 9 10.539 11.855 1.340 67 HB VAL 9 HB VAL 9 7.875 10.538 0.795 68 HG11 VAL 9 HG11 VAL 9 7.330 12.773 0.752 69 HG12 VAL 9 HG12 VAL 9 8.941 13.267 0.230 70 HG13 VAL 9 HG13 VAL 9 7.832 12.515 -0.918 71 HG21 VAL 9 HG21 VAL 9 8.618 10.079 -1.360 72 HG22 VAL 9 HG22 VAL 9 9.952 11.227 -1.252 73 HG23 VAL 9 HG23 VAL 9 10.025 9.704 -0.366 74 H ARG 10 H ARG 10 7.943 10.344 3.244 75 HA ARG 10 HA ARG 10 6.793 12.661 4.267 76 HB2 ARG 10 HB2 ARG 10 5.837 10.378 4.478 77 HB3 ARG 10 HB3 ARG 10 7.069 10.000 5.675 78 HG2 ARG 10 HG2 ARG 10 4.945 10.542 6.727 79 HG3 ARG 10 HG3 ARG 10 6.185 11.724 7.149 80 HD2 ARG 10 HD2 ARG 10 3.959 12.712 6.599 81 HD3 ARG 10 HD3 ARG 10 5.291 13.319 5.616 82 HE ARG 10 HE ARG 10 3.909 11.114 4.411 83 HH11 ARG 10 HH11 ARG 10 3.908 14.564 4.876 84 HH12 ARG 10 HH12 ARG 10 2.992 14.888 3.441 85 HH21 ARG 10 HH21 ARG 10 2.703 11.528 2.519 86 HH22 ARG 10 HH22 ARG 10 2.307 13.160 2.102 87 H GLU 11 H GLU 11 9.337 10.627 5.711 88 HA GLU 11 HA GLU 11 9.750 12.284 7.963 89 HB2 GLU 11 HB2 GLU 11 10.455 9.858 7.678 90 HB3 GLU 11 HB3 GLU 11 11.807 10.457 6.727 91 HG2 GLU 11 HG2 GLU 11 11.671 11.891 9.195 92 HG3 GLU 11 HG3 GLU 11 11.645 10.157 9.513 93 H ARG 12 H ARG 12 11.335 12.093 4.806 94 HA ARG 12 HA ARG 12 13.406 13.911 5.291 95 HB2 ARG 12 HB2 ARG 12 13.326 12.446 3.320 96 HB3 ARG 12 HB3 ARG 12 11.957 13.356 2.697 97 HG2 ARG 12 HG2 ARG 12 13.492 14.500 1.553 98 HG3 ARG 12 HG3 ARG 12 13.800 15.325 3.083 99 HD2 ARG 12 HD2 ARG 12 15.268 12.930 3.164 100 HD3 ARG 12 HD3 ARG 12 15.525 13.613 1.559 101 HE ARG 12 HE ARG 12 15.882 15.719 3.251 102 HH11 ARG 12 HH11 ARG 12 17.264 12.536 2.972 103 HH12 ARG 12 HH12 ARG 12 18.800 13.005 3.621 104 HH21 ARG 12 HH21 ARG 12 17.900 16.348 4.107 105 HH22 ARG 12 HH22 ARG 12 19.161 15.173 4.267 106 H LEU 13 H LEU 13 10.142 14.442 3.994 107 HA LEU 13 HA LEU 13 10.417 17.215 3.577 108 HB2 LEU 13 HB2 LEU 13 8.483 15.311 3.099 109 HB3 LEU 13 HB3 LEU 13 7.731 16.353 4.306 110 HG LEU 13 HG LEU 13 8.769 17.176 1.596 111 HD11 LEU 13 HD11 LEU 13 6.572 15.946 1.754 112 HD12 LEU 13 HD12 LEU 13 6.510 17.545 1.014 113 HD13 LEU 13 HD13 LEU 13 5.967 17.322 2.677 114 HD21 LEU 13 HD21 LEU 13 8.445 18.712 3.989 115 HD22 LEU 13 HD22 LEU 13 7.258 19.227 2.790 116 HD23 LEU 13 HD23 LEU 13 8.976 19.237 2.391 117 H GLN 14 H GLN 14 8.932 15.408 6.263 118 HA GLN 14 HA GLN 14 8.146 17.525 7.846 119 HB2 GLN 14 HB2 GLN 14 9.250 14.845 8.702 120 HB3 GLN 14 HB3 GLN 14 8.424 15.968 9.775 121 HG2 GLN 14 HG2 GLN 14 6.889 15.396 7.382 122 HG3 GLN 14 HG3 GLN 14 7.266 13.945 8.308 123 HE21 GLN 14 HE21 GLN 14 5.810 17.135 8.479 124 HE22 GLN 14 HE22 GLN 14 4.768 16.793 9.815 125 H ALA 15 H ALA 15 11.166 15.690 8.348 126 HA ALA 15 HA ALA 15 12.343 17.419 10.159 127 HB1 ALA 15 HB1 ALA 15 14.478 16.401 9.530 128 HB2 ALA 15 HB2 ALA 15 13.207 15.189 9.699 129 HB3 ALA 15 HB3 ALA 15 13.724 15.708 8.094 130 H TRP 16 H TRP 16 12.521 17.455 6.620 131 HA TRP 16 HA TRP 16 14.407 19.427 6.233 132 HB2 TRP 16 HB2 TRP 16 13.558 18.264 4.334 133 HB3 TRP 16 HB3 TRP 16 11.907 18.776 4.671 134 HD1 TRP 16 HD1 TRP 16 11.168 20.459 2.905 135 HE1 TRP 16 HE1 TRP 16 12.246 22.441 1.666 136 HE3 TRP 16 HE3 TRP 16 15.877 20.182 4.875 137 HZ2 TRP 16 HZ2 TRP 16 14.761 23.718 1.541 138 HZ3 TRP 16 HZ3 TRP 16 17.560 21.820 4.142 139 HH2 TRP 16 HH2 TRP 16 17.012 23.551 2.510 140 H GLU 17 H GLU 17 10.948 20.159 5.849 141 HA GLU 17 HA GLU 17 11.137 22.893 6.100 142 HB2 GLU 17 HB2 GLU 17 8.766 22.908 6.587 143 HB3 GLU 17 HB3 GLU 17 9.106 21.677 5.378 144 HG2 GLU 17 HG2 GLU 17 8.927 19.935 7.016 145 HG3 GLU 17 HG3 GLU 17 8.772 21.117 8.315 146 H ARG 18 H ARG 18 11.055 20.465 8.616 147 HA ARG 18 HA ARG 18 10.435 22.013 10.832 148 HB2 ARG 18 HB2 ARG 18 11.650 19.435 10.328 149 HB3 ARG 18 HB3 ARG 18 12.415 20.232 11.697 150 HG2 ARG 18 HG2 ARG 18 9.440 19.886 11.436 151 HG3 ARG 18 HG3 ARG 18 10.491 18.732 12.259 152 HD2 ARG 18 HD2 ARG 18 11.288 20.980 13.469 153 HD3 ARG 18 HD3 ARG 18 9.636 21.447 13.070 154 HE ARG 18 HE ARG 18 9.778 18.873 14.306 155 HH11 ARG 18 HH11 ARG 18 9.754 22.300 14.919 156 HH12 ARG 18 HH12 ARG 18 9.122 22.141 16.524 157 HH21 ARG 18 HH21 ARG 18 8.945 18.650 16.418 158 HH22 ARG 18 HH22 ARG 18 8.662 20.064 17.376 159 H ALA 19 H ALA 19 13.770 20.964 10.188 160 HA ALA 19 HA ALA 19 14.919 23.050 11.702 161 HB1 ALA 19 HB1 ALA 19 16.720 21.986 9.707 162 HB2 ALA 19 HB2 ALA 19 16.773 21.844 11.465 163 HB3 ALA 19 HB3 ALA 19 15.818 20.704 10.516 164 H PHE 20 H PHE 20 14.116 22.734 8.308 165 HA PHE 20 HA PHE 20 15.622 24.740 7.170 166 HB2 PHE 20 HB2 PHE 20 14.370 23.507 5.646 167 HB3 PHE 20 HB3 PHE 20 12.889 23.661 6.585 168 HD1 PHE 20 HD2 PHE 20 15.303 26.133 5.175 169 HD2 PHE 20 HD1 PHE 20 11.281 24.755 5.377 170 HE1 PHE 20 HE2 PHE 20 14.594 28.004 3.743 171 HE2 PHE 20 HE1 PHE 20 10.566 26.623 3.944 172 HZ PHE 20 HZ PHE 20 12.223 28.251 3.126 173 H ARG 21 H ARG 21 12.226 25.190 8.163 174 HA ARG 21 HA ARG 21 12.359 28.007 8.101 175 HB2 ARG 21 HB2 ARG 21 10.165 27.996 8.959 176 HB3 ARG 21 HB3 ARG 21 10.283 26.527 8.000 177 HG2 ARG 21 HG2 ARG 21 9.344 25.598 9.817 178 HG3 ARG 21 HG3 ARG 21 11.009 25.566 10.401 179 HD2 ARG 21 HD2 ARG 21 10.537 26.992 12.044 180 HD3 ARG 21 HD3 ARG 21 9.774 28.120 10.924 181 HE ARG 21 HE ARG 21 7.920 26.151 11.265 182 HH11 ARG 21 HH11 ARG 21 9.684 28.258 13.403 183 HH12 ARG 21 HH12 ARG 21 8.430 28.308 14.598 184 HH21 ARG 21 HH21 ARG 21 6.263 26.210 12.831 185 HH22 ARG 21 HH22 ARG 21 6.486 27.142 14.273 186 H ARG 22 H ARG 22 13.585 25.789 10.324 187 HA ARG 22 HA ARG 22 13.301 27.367 12.699 188 HB2 ARG 22 HB2 ARG 22 13.989 24.746 12.161 189 HB3 ARG 22 HB3 ARG 22 15.511 25.454 12.685 190 HG2 ARG 22 HG2 ARG 22 13.169 26.095 14.349 191 HG3 ARG 22 HG3 ARG 22 13.683 24.406 14.354 192 HD2 ARG 22 HD2 ARG 22 16.068 25.560 14.647 193 HD3 ARG 22 HD3 ARG 22 15.069 26.824 15.363 194 HE ARG 22 HE ARG 22 14.324 24.348 16.453 195 HH11 ARG 22 HH11 ARG 22 16.986 26.592 16.475 196 HH12 ARG 22 HH12 ARG 22 17.518 26.148 18.063 197 HH21 ARG 22 HH21 ARG 22 15.014 23.755 18.545 198 HH22 ARG 22 HH22 ARG 22 16.396 24.533 19.239 199 H GLN 23 H GLN 23 15.868 26.825 10.325 200 HA GLN 23 HA GLN 23 17.557 28.795 11.672 201 HB2 GLN 23 HB2 GLN 23 19.304 28.069 10.096 202 HB3 GLN 23 HB3 GLN 23 18.640 26.721 11.010 203 HG2 GLN 23 HG2 GLN 23 17.173 26.226 9.047 204 HG3 GLN 23 HG3 GLN 23 18.073 27.446 8.149 205 HE21 GLN 23 HE21 GLN 23 19.271 26.372 6.740 206 HE22 GLN 23 HE22 GLN 23 20.317 25.048 7.107 207 H ARG 24 H ARG 24 16.046 28.184 8.524 208 HA ARG 24 HA ARG 24 16.933 30.640 7.370 209 HB2 ARG 24 HB2 ARG 24 14.924 28.552 6.578 210 HB3 ARG 24 HB3 ARG 24 15.055 30.058 5.681 211 HG2 ARG 24 HG2 ARG 24 17.334 28.148 6.143 212 HG3 ARG 24 HG3 ARG 24 16.335 28.190 4.689 213 HD2 ARG 24 HD2 ARG 24 17.757 29.693 3.870 214 HD3 ARG 24 HD3 ARG 24 17.137 30.825 5.072 215 HE ARG 24 HE ARG 24 19.087 29.303 6.325 216 HH11 ARG 24 HH11 ARG 24 18.869 31.560 3.683 217 HH12 ARG 24 HH12 ARG 24 20.490 32.141 3.874 218 HH21 ARG 24 HH21 ARG 24 21.223 30.060 6.586 219 HH22 ARG 24 HH22 ARG 24 21.829 31.287 5.525 220 H GLY 25 H GLY 25 13.919 29.545 8.875 221 HA2 GLY 25 HA2 GLY 25 12.112 30.710 9.678 222 HA3 GLY 25 HA3 GLY 25 13.231 32.046 9.908 223 H ARG 26 H ARG 26 12.554 30.638 6.775 224 HA ARG 26 HA ARG 26 10.459 32.250 5.930 225 HB2 ARG 26 HB2 ARG 26 12.746 33.793 6.340 226 HB3 ARG 26 HB3 ARG 26 12.693 33.539 4.601 227 HG2 ARG 26 HG2 ARG 26 10.473 34.467 4.486 228 HG3 ARG 26 HG3 ARG 26 10.410 34.611 6.244 229 HD2 ARG 26 HD2 ARG 26 12.364 36.035 4.440 230 HD3 ARG 26 HD3 ARG 26 10.914 36.753 5.140 231 HE ARG 26 HE ARG 26 12.402 35.730 7.243 232 HH11 ARG 26 HH11 ARG 26 12.755 38.152 4.768 233 HH12 ARG 26 HH12 ARG 26 13.797 39.159 5.718 234 HH21 ARG 26 HH21 ARG 26 13.773 37.046 8.505 235 HH22 ARG 26 HH22 ARG 26 14.376 38.528 7.844 236 H ARG 27 H ARG 27 11.041 32.806 3.325 237 HA ARG 27 HA ARG 27 10.790 30.375 2.042 238 HB2 ARG 27 HB2 ARG 27 11.029 33.120 1.279 239 HB3 ARG 27 HB3 ARG 27 12.057 32.155 0.227 240 HG2 ARG 27 HG2 ARG 27 9.692 30.720 0.356 241 HG3 ARG 27 HG3 ARG 27 9.179 32.407 0.279 242 HD2 ARG 27 HD2 ARG 27 11.221 31.235 -1.593 243 HD3 ARG 27 HD3 ARG 27 9.492 31.215 -1.937 244 HE ARG 27 HE ARG 27 11.262 33.452 -2.142 245 HH11 ARG 27 HH11 ARG 27 7.968 32.500 -1.540 246 HH12 ARG 27 HH12 ARG 27 7.299 34.009 -2.064 247 HH21 ARG 27 HH21 ARG 27 10.393 35.444 -2.835 248 HH22 ARG 27 HH22 ARG 27 8.678 35.683 -2.801 249 HA PRO 28 HA PRO 28 14.797 28.586 1.844 250 HB2 PRO 28 HB2 PRO 28 14.597 27.198 -0.481 251 HB3 PRO 28 HB3 PRO 28 13.771 26.710 1.004 252 HG2 PRO 28 HG2 PRO 28 12.695 28.197 -1.361 253 HG3 PRO 28 HG3 PRO 28 11.952 26.880 -0.434 254 HD2 PRO 28 HD2 PRO 28 11.282 29.477 -0.066 255 HD3 PRO 28 HD3 PRO 28 11.257 28.289 1.252 256 H SER 29 H SER 29 16.744 28.425 0.475 257 HA SER 29 HA SER 29 16.916 30.630 -1.473 258 HB2 SER 29 HB2 SER 29 18.786 29.878 0.759 259 HB3 SER 29 HB3 SER 29 19.376 30.752 -0.654 260 HG SER 29 HG SER 29 17.896 32.396 -0.194 261 H GLN 30 H GLN 30 18.566 30.391 -3.113 262 HA GLN 30 HA GLN 30 18.532 27.908 -4.377 263 HB2 GLN 30 HB2 GLN 30 20.250 28.830 -5.872 264 HB3 GLN 30 HB3 GLN 30 18.954 29.984 -5.583 265 HG2 GLN 30 HG2 GLN 30 20.717 30.650 -3.625 266 HG3 GLN 30 HG3 GLN 30 21.798 30.135 -4.919 267 HE21 GLN 30 HE21 GLN 30 21.337 31.095 -7.078 268 HE22 GLN 30 HE22 GLN 30 20.862 32.755 -7.128 269 H ASP 31 H ASP 31 20.527 29.070 -1.842 270 HA ASP 31 HA ASP 31 22.774 27.374 -2.280 271 HB2 ASP 31 HB2 ASP 31 21.793 29.072 -0.025 272 HB3 ASP 31 HB3 ASP 31 23.045 27.876 0.300 273 H ASP 32 H ASP 32 19.889 27.149 -0.232 274 HA ASP 32 HA ASP 32 20.643 24.520 0.717 275 HB2 ASP 32 HB2 ASP 32 18.951 26.580 1.640 276 HB3 ASP 32 HB3 ASP 32 17.908 25.201 1.302 277 H VAL 33 H VAL 33 18.473 25.938 -1.634 278 HA VAL 33 HA VAL 33 16.951 23.591 -2.148 279 HB VAL 33 HB VAL 33 17.425 25.988 -3.927 280 HG11 VAL 33 HG11 VAL 33 15.798 23.541 -4.219 281 HG12 VAL 33 HG12 VAL 33 15.014 25.060 -4.656 282 HG13 VAL 33 HG13 VAL 33 16.516 24.582 -5.448 283 HG21 VAL 33 HG21 VAL 33 14.815 25.790 -2.716 284 HG22 VAL 33 HG22 VAL 33 16.080 25.825 -1.488 285 HG23 VAL 33 HG23 VAL 33 15.971 27.121 -2.679 286 H GLU 34 H GLU 34 19.671 25.122 -3.863 287 HA GLU 34 HA GLU 34 19.892 22.986 -5.759 288 HB2 GLU 34 HB2 GLU 34 20.647 25.513 -5.905 289 HB3 GLU 34 HB3 GLU 34 22.143 24.877 -5.234 290 HG2 GLU 34 HG2 GLU 34 21.468 23.147 -7.319 291 HG3 GLU 34 HG3 GLU 34 21.157 24.772 -7.927 292 H ALA 35 H ALA 35 20.734 23.250 -2.551 293 HA ALA 35 HA ALA 35 23.230 21.853 -2.579 294 HB1 ALA 35 HB1 ALA 35 23.245 22.735 -0.541 295 HB2 ALA 35 HB2 ALA 35 21.516 23.075 -0.612 296 HB3 ALA 35 HB3 ALA 35 22.082 21.498 -0.063 297 H ALA 36 H ALA 36 19.857 20.939 -2.382 298 HA ALA 36 HA ALA 36 20.472 18.181 -1.734 299 HB1 ALA 36 HB1 ALA 36 18.375 18.116 -1.010 300 HB2 ALA 36 HB2 ALA 36 18.233 19.825 -1.424 301 HB3 ALA 36 HB3 ALA 36 17.758 18.592 -2.592 302 HA PRO 37 HA PRO 37 20.602 16.513 -5.790 303 HB2 PRO 37 HB2 PRO 37 19.222 14.191 -5.518 304 HB3 PRO 37 HB3 PRO 37 20.831 14.438 -4.830 305 HG2 PRO 37 HG2 PRO 37 18.155 14.613 -3.499 306 HG3 PRO 37 HG3 PRO 37 19.652 13.869 -2.908 307 HD2 PRO 37 HD2 PRO 37 18.826 16.318 -2.101 308 HD3 PRO 37 HD3 PRO 37 20.543 15.888 -2.244 309 H GLU 38 H GLU 38 19.039 15.267 -7.423 310 HA GLU 38 HA GLU 38 17.122 17.123 -8.265 311 HB2 GLU 38 HB2 GLU 38 18.351 15.095 -9.483 312 HB3 GLU 38 HB3 GLU 38 16.840 14.281 -9.105 313 HG2 GLU 38 HG2 GLU 38 15.610 15.603 -10.511 314 HG3 GLU 38 HG3 GLU 38 16.737 16.954 -10.403 315 H GLU 39 H GLU 39 16.554 13.834 -6.997 316 HA GLU 39 HA GLU 39 13.816 13.910 -6.810 317 HB2 GLU 39 HB2 GLU 39 15.900 12.259 -5.820 318 HB3 GLU 39 HB3 GLU 39 14.817 12.592 -4.476 319 HG2 GLU 39 HG2 GLU 39 12.938 11.930 -6.094 320 HG3 GLU 39 HG3 GLU 39 14.225 11.226 -7.071 321 H THR 40 H THR 40 16.099 14.763 -4.207 322 HA THR 40 HA THR 40 14.222 15.622 -2.340 323 HB THR 40 HB THR 40 17.007 16.741 -2.707 324 HG1 THR 40 HG1 THR 40 16.036 14.334 -1.631 325 HG21 THR 40 HG21 THR 40 15.009 16.804 -0.475 326 HG22 THR 40 HG22 THR 40 15.987 18.116 -1.134 327 HG23 THR 40 HG23 THR 40 16.737 16.876 -0.129 328 H ARG 41 H ARG 41 16.014 17.539 -4.746 329 HA ARG 41 HA ARG 41 15.027 20.047 -4.134 330 HB2 ARG 41 HB2 ARG 41 16.114 18.764 -6.581 331 HB3 ARG 41 HB3 ARG 41 15.245 20.277 -6.799 332 HG2 ARG 41 HG2 ARG 41 16.756 21.447 -5.393 333 HG3 ARG 41 HG3 ARG 41 17.511 19.946 -4.852 334 HD2 ARG 41 HD2 ARG 41 18.981 20.117 -6.505 335 HD3 ARG 41 HD3 ARG 41 17.663 19.977 -7.668 336 HE ARG 41 HE ARG 41 18.039 22.632 -6.615 337 HH11 ARG 41 HH11 ARG 41 18.947 20.355 -9.086 338 HH12 ARG 41 HH12 ARG 41 19.449 21.575 -10.209 339 HH21 ARG 41 HH21 ARG 41 18.697 24.248 -8.084 340 HH22 ARG 41 HH22 ARG 41 19.307 23.789 -9.638 341 H ALA 42 H ALA 42 13.561 17.486 -6.058 342 HA ALA 42 HA ALA 42 11.399 19.004 -7.068 343 HB1 ALA 42 HB1 ALA 42 11.076 17.143 -8.229 344 HB2 ALA 42 HB2 ALA 42 12.325 16.344 -7.273 345 HB3 ALA 42 HB3 ALA 42 10.640 16.274 -6.757 346 H LEU 43 H LEU 43 11.592 16.739 -4.323 347 HA LEU 43 HA LEU 43 8.960 17.057 -3.433 348 HB2 LEU 43 HB2 LEU 43 11.316 16.540 -1.640 349 HB3 LEU 43 HB3 LEU 43 9.646 16.023 -1.415 350 HG LEU 43 HG LEU 43 10.934 14.986 -3.843 351 HD11 LEU 43 HD11 LEU 43 12.819 14.275 -2.911 352 HD12 LEU 43 HD12 LEU 43 11.843 13.235 -1.875 353 HD13 LEU 43 HD13 LEU 43 12.316 14.840 -1.318 354 HD21 LEU 43 HD21 LEU 43 9.976 12.870 -2.501 355 HD22 LEU 43 HD22 LEU 43 8.973 13.912 -3.511 356 HD23 LEU 43 HD23 LEU 43 9.013 14.149 -1.763 357 H TYR 44 H TYR 44 11.931 18.709 -2.383 358 HA TYR 44 HA TYR 44 10.798 20.341 -0.432 359 HB2 TYR 44 HB2 TYR 44 13.198 20.717 -2.217 360 HB3 TYR 44 HB3 TYR 44 12.760 21.889 -0.978 361 HD1 TYR 44 HD2 TYR 44 11.800 18.744 0.188 362 HD2 TYR 44 HD1 TYR 44 15.264 21.138 -0.423 363 HE1 TYR 44 HE2 TYR 44 13.007 17.416 1.869 364 HE2 TYR 44 HE1 TYR 44 16.481 19.816 1.256 365 HH TYR 44 HH TYR 44 16.440 17.918 2.488 366 H ARG 45 H ARG 45 11.512 21.170 -3.828 367 HA ARG 45 HA ARG 45 10.275 23.694 -3.769 368 HB2 ARG 45 HB2 ARG 45 11.125 21.813 -5.931 369 HB3 ARG 45 HB3 ARG 45 10.113 23.189 -6.351 370 HG2 ARG 45 HG2 ARG 45 12.049 24.347 -4.808 371 HG3 ARG 45 HG3 ARG 45 12.941 23.083 -5.656 372 HD2 ARG 45 HD2 ARG 45 11.779 23.961 -7.769 373 HD3 ARG 45 HD3 ARG 45 11.386 25.380 -6.800 374 HE ARG 45 HE ARG 45 13.551 26.065 -7.019 375 HH11 ARG 45 HH11 ARG 45 13.380 22.660 -7.722 376 HH12 ARG 45 HH12 ARG 45 15.035 22.547 -8.223 377 HH21 ARG 45 HH21 ARG 45 15.731 25.930 -7.677 378 HH22 ARG 45 HH22 ARG 45 16.371 24.408 -8.196 379 H GLU 46 H GLU 46 8.992 20.503 -4.046 380 HA GLU 46 HA GLU 46 6.543 21.131 -5.323 381 HB2 GLU 46 HB2 GLU 46 7.747 18.821 -4.015 382 HB3 GLU 46 HB3 GLU 46 6.020 18.937 -3.710 383 HG2 GLU 46 HG2 GLU 46 5.475 18.433 -5.826 384 HG3 GLU 46 HG3 GLU 46 6.817 19.353 -6.503 385 H TYR 47 H TYR 47 7.104 20.287 -1.901 386 HA TYR 47 HA TYR 47 4.585 21.252 -1.045 387 HB2 TYR 47 HB2 TYR 47 5.175 20.473 1.014 388 HB3 TYR 47 HB3 TYR 47 6.407 19.635 0.076 389 HD1 TYR 47 HD1 TYR 47 8.711 20.694 -0.094 390 HD2 TYR 47 HD2 TYR 47 5.776 21.996 2.698 391 HE1 TYR 47 HE1 TYR 47 10.471 21.774 1.244 392 HE2 TYR 47 HE2 TYR 47 7.527 23.080 4.042 393 HH TYR 47 HH TYR 47 10.599 23.687 2.916 394 H ARG 48 H ARG 48 7.666 22.759 -1.536 395 HA ARG 48 HA ARG 48 7.214 25.047 0.102 396 HB2 ARG 48 HB2 ARG 48 9.473 24.400 -0.507 397 HB3 ARG 48 HB3 ARG 48 9.103 24.601 -2.214 398 HG2 ARG 48 HG2 ARG 48 8.467 27.053 -1.093 399 HG3 ARG 48 HG3 ARG 48 9.942 26.557 -0.260 400 HD2 ARG 48 HD2 ARG 48 10.657 27.750 -2.161 401 HD3 ARG 48 HD3 ARG 48 10.896 26.047 -2.551 402 HE ARG 48 HE ARG 48 9.286 26.220 -4.183 403 HH11 ARG 48 HH11 ARG 48 9.221 29.056 -2.165 404 HH12 ARG 48 HH12 ARG 48 8.144 29.930 -3.204 405 HH21 ARG 48 HH21 ARG 48 7.868 27.360 -5.559 406 HH22 ARG 48 HH22 ARG 48 7.375 28.964 -5.133 407 H THR 49 H THR 49 6.724 24.318 -3.319 408 HA THR 49 HA THR 49 5.890 26.967 -4.006 409 HB THR 49 HB THR 49 5.544 24.354 -5.488 410 HG1 THR 49 HG1 THR 49 7.723 25.098 -5.226 411 HG21 THR 49 HG21 THR 49 3.911 25.687 -6.452 412 HG22 THR 49 HG22 THR 49 5.317 26.052 -7.452 413 HG23 THR 49 HG23 THR 49 4.821 27.173 -6.184 414 H LEU 50 H LEU 50 4.238 23.949 -3.204 415 HA LEU 50 HA LEU 50 1.618 24.909 -3.749 416 HB2 LEU 50 HB2 LEU 50 2.817 22.530 -2.468 417 HB3 LEU 50 HB3 LEU 50 1.163 22.923 -2.001 418 HG LEU 50 HG LEU 50 1.288 21.250 -3.808 419 HD11 LEU 50 HD11 LEU 50 0.018 23.115 -5.453 420 HD12 LEU 50 HD12 LEU 50 -0.221 23.698 -3.806 421 HD13 LEU 50 HD13 LEU 50 -0.727 22.067 -4.245 422 HD21 LEU 50 HD21 LEU 50 2.448 23.505 -5.441 423 HD22 LEU 50 HD22 LEU 50 2.009 21.901 -6.031 424 HD23 LEU 50 HD23 LEU 50 3.335 22.087 -4.881 425 H LYS 51 H LYS 51 3.644 24.802 -0.871 426 HA LYS 51 HA LYS 51 1.592 25.709 0.907 427 HB2 LYS 51 HB2 LYS 51 3.552 24.383 1.654 428 HB3 LYS 51 HB3 LYS 51 4.593 25.748 1.275 429 HG2 LYS 51 HG2 LYS 51 4.051 26.847 3.151 430 HG3 LYS 51 HG3 LYS 51 2.353 26.375 3.060 431 HD2 LYS 51 HD2 LYS 51 2.733 24.345 4.136 432 HD3 LYS 51 HD3 LYS 51 4.462 24.373 3.783 433 HE2 LYS 51 HE2 LYS 51 3.373 26.567 5.453 434 HE3 LYS 51 HE3 LYS 51 3.472 24.967 6.186 435 HZ1 LYS 51 HZ1 LYS 51 5.873 25.049 5.214 436 HZ2 LYS 51 HZ2 LYS 51 5.521 25.812 6.682 437 HZ3 LYS 51 HZ3 LYS 51 5.633 26.723 5.262 438 H ARG 52 H ARG 52 4.366 27.245 -0.691 439 HA ARG 52 HA ARG 52 3.958 29.815 0.410 440 HB2 ARG 52 HB2 ARG 52 5.419 28.831 -2.033 441 HB3 ARG 52 HB3 ARG 52 5.340 30.541 -1.627 442 HG2 ARG 52 HG2 ARG 52 6.283 28.572 0.409 443 HG3 ARG 52 HG3 ARG 52 7.371 29.123 -0.867 444 HD2 ARG 52 HD2 ARG 52 7.775 30.603 0.889 445 HD3 ARG 52 HD3 ARG 52 6.675 31.489 -0.165 446 HE ARG 52 HE ARG 52 5.341 30.021 1.911 447 HH11 ARG 52 HH11 ARG 52 6.944 33.002 1.098 448 HH12 ARG 52 HH12 ARG 52 6.138 33.922 2.324 449 HH21 ARG 52 HH21 ARG 52 4.273 31.222 3.530 450 HH22 ARG 52 HH22 ARG 52 4.619 32.908 3.708 451 H THR 53 H THR 53 2.734 28.219 -2.474 452 HA THR 53 HA THR 53 1.487 30.597 -3.512 453 HB THR 53 HB THR 53 1.136 27.701 -4.311 454 HG1 THR 53 HG1 THR 53 2.830 29.796 -5.176 455 HG21 THR 53 HG21 THR 53 0.494 29.264 -6.482 456 HG22 THR 53 HG22 THR 53 -0.225 30.149 -5.136 457 HG23 THR 53 HG23 THR 53 -0.660 28.463 -5.416 458 H THR 54 H THR 54 0.122 27.473 -2.451 459 HA THR 54 HA THR 54 -2.515 28.446 -2.213 460 HB THR 54 HB THR 54 -1.524 26.109 -0.610 461 HG1 THR 54 HG1 THR 54 -2.009 26.158 -3.421 462 HG21 THR 54 HG21 THR 54 -3.730 25.945 -0.283 463 HG22 THR 54 HG22 THR 54 -3.852 25.469 -1.977 464 HG23 THR 54 HG23 THR 54 -4.074 27.156 -1.516 465 H GLY 55 H GLY 55 -0.224 27.518 0.370 466 HA2 GLY 55 HA2 GLY 55 -1.816 28.990 2.313 467 HA3 GLY 55 HA3 GLY 55 -0.421 27.978 2.658 468 H GLN 56 H GLN 56 -0.807 30.759 0.476 469 HA GLN 56 HA GLN 56 1.695 31.867 1.180 470 HB2 GLN 56 HB2 GLN 56 1.080 33.738 -0.195 471 HB3 GLN 56 HB3 GLN 56 0.499 32.272 -0.974 472 HG2 GLN 56 HG2 GLN 56 -1.434 33.350 -1.172 473 HG3 GLN 56 HG3 GLN 56 -1.649 33.009 0.544 474 HE21 GLN 56 HE21 GLN 56 -0.982 35.408 -1.837 475 HE22 GLN 56 HE22 GLN 56 -1.033 36.777 -0.784 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.969 -2.428 -0.258 2 HA2 GLY 1 HA2 GLY 1 2.019 -0.365 -1.316 3 HA3 GLY 1 HA3 GLY 1 1.587 0.391 0.211 4 H SER 2 H SER 2 3.326 1.784 -1.136 5 HA SER 2 HA SER 2 6.050 1.032 -0.781 6 HB2 SER 2 HB2 SER 2 5.358 3.911 -1.033 7 HB3 SER 2 HB3 SER 2 6.558 2.958 -1.907 8 HG SER 2 HG SER 2 4.149 3.663 -2.720 9 H MET 3 H MET 3 6.664 0.638 1.278 10 HA MET 3 HA MET 3 5.926 2.487 3.402 11 HB2 MET 3 HB2 MET 3 6.962 -0.268 3.246 12 HB3 MET 3 HB3 MET 3 7.589 0.685 4.584 13 HG2 MET 3 HG2 MET 3 5.763 0.148 5.707 14 HG3 MET 3 HG3 MET 3 4.860 1.179 4.599 15 HE1 MET 3 HE1 MET 3 2.976 -0.531 2.433 16 HE2 MET 3 HE2 MET 3 2.245 -0.793 4.016 17 HE3 MET 3 HE3 MET 3 3.124 0.701 3.687 18 H GLU 4 H GLU 4 8.914 1.159 1.988 19 HA GLU 4 HA GLU 4 10.715 2.717 3.449 20 HB2 GLU 4 HB2 GLU 4 11.366 0.754 2.105 21 HB3 GLU 4 HB3 GLU 4 11.028 1.657 0.635 22 HG2 GLU 4 HG2 GLU 4 12.777 3.284 1.290 23 HG3 GLU 4 HG3 GLU 4 13.162 2.256 2.669 24 H ARG 5 H ARG 5 9.201 3.322 0.297 25 HA ARG 5 HA ARG 5 10.506 5.784 -0.185 26 HB2 ARG 5 HB2 ARG 5 7.847 4.809 -1.246 27 HB3 ARG 5 HB3 ARG 5 8.802 6.127 -1.912 28 HG2 ARG 5 HG2 ARG 5 9.964 3.383 -1.682 29 HG3 ARG 5 HG3 ARG 5 8.904 3.806 -3.028 30 HD2 ARG 5 HD2 ARG 5 10.545 5.906 -3.119 31 HD3 ARG 5 HD3 ARG 5 11.646 4.735 -2.394 32 HE ARG 5 HE ARG 5 10.441 3.516 -4.589 33 HH11 ARG 5 HH11 ARG 5 12.599 6.165 -3.922 34 HH12 ARG 5 HH12 ARG 5 13.422 6.048 -5.442 35 HH21 ARG 5 HH21 ARG 5 11.517 3.352 -6.593 36 HH22 ARG 5 HH22 ARG 5 12.805 4.448 -6.961 37 H LEU 6 H LEU 6 7.322 4.997 1.174 38 HA LEU 6 HA LEU 6 6.418 7.626 1.522 39 HB2 LEU 6 HB2 LEU 6 4.885 5.803 1.674 40 HB3 LEU 6 HB3 LEU 6 5.784 5.087 3.010 41 HG LEU 6 HG LEU 6 4.998 7.668 3.841 42 HD11 LEU 6 HD11 LEU 6 2.647 7.710 3.549 43 HD12 LEU 6 HD12 LEU 6 2.641 6.112 2.804 44 HD13 LEU 6 HD13 LEU 6 3.352 7.481 1.949 45 HD21 LEU 6 HD21 LEU 6 5.203 6.056 5.477 46 HD22 LEU 6 HD22 LEU 6 4.327 4.843 4.543 47 HD23 LEU 6 HD23 LEU 6 3.451 6.170 5.306 48 H ARG 7 H ARG 7 7.943 5.436 3.887 49 HA ARG 7 HA ARG 7 8.084 7.269 5.994 50 HB2 ARG 7 HB2 ARG 7 9.864 4.913 5.350 51 HB3 ARG 7 HB3 ARG 7 9.894 5.788 6.875 52 HG2 ARG 7 HG2 ARG 7 7.222 5.121 6.498 53 HG3 ARG 7 HG3 ARG 7 8.125 3.694 5.988 54 HD2 ARG 7 HD2 ARG 7 8.924 5.036 8.517 55 HD3 ARG 7 HD3 ARG 7 7.440 4.085 8.514 56 HE ARG 7 HE ARG 7 10.119 3.092 8.439 57 HH11 ARG 7 HH11 ARG 7 6.841 2.437 7.469 58 HH12 ARG 7 HH12 ARG 7 7.063 0.720 7.411 59 HH21 ARG 7 HH21 ARG 7 10.425 0.833 8.365 60 HH22 ARG 7 HH22 ARG 7 9.102 -0.191 7.921 61 H ASP 8 H ASP 8 10.403 6.534 3.420 62 HA ASP 8 HA ASP 8 12.475 8.206 4.337 63 HB2 ASP 8 HB2 ASP 8 12.813 6.453 2.643 64 HB3 ASP 8 HB3 ASP 8 11.830 7.367 1.502 65 H VAL 9 H VAL 9 10.180 8.781 1.663 66 HA VAL 9 HA VAL 9 10.834 11.440 1.198 67 HB VAL 9 HB VAL 9 8.128 10.133 0.874 68 HG11 VAL 9 HG11 VAL 9 9.166 12.811 0.212 69 HG12 VAL 9 HG12 VAL 9 8.247 12.004 -1.061 70 HG13 VAL 9 HG13 VAL 9 7.514 12.275 0.520 71 HG21 VAL 9 HG21 VAL 9 10.528 9.530 -0.386 72 HG22 VAL 9 HG22 VAL 9 8.911 9.092 -0.935 73 HG23 VAL 9 HG23 VAL 9 9.676 10.563 -1.534 74 H ARG 10 H ARG 10 8.131 10.188 3.163 75 HA ARG 10 HA ARG 10 7.142 12.587 4.098 76 HB2 ARG 10 HB2 ARG 10 5.966 10.526 4.511 77 HB3 ARG 10 HB3 ARG 10 7.296 9.906 5.480 78 HG2 ARG 10 HG2 ARG 10 6.871 11.542 7.196 79 HG3 ARG 10 HG3 ARG 10 5.624 12.302 6.204 80 HD2 ARG 10 HD2 ARG 10 4.113 10.917 7.053 81 HD3 ARG 10 HD3 ARG 10 5.006 9.546 6.396 82 HE ARG 10 HE ARG 10 5.809 9.102 8.496 83 HH11 ARG 10 HH11 ARG 10 4.423 12.296 8.445 84 HH12 ARG 10 HH12 ARG 10 4.531 12.512 10.160 85 HH21 ARG 10 HH21 ARG 10 5.956 9.375 10.756 86 HH22 ARG 10 HH22 ARG 10 5.404 10.850 11.474 87 H GLU 11 H GLU 11 9.725 10.592 5.499 88 HA GLU 11 HA GLU 11 10.209 12.254 7.730 89 HB2 GLU 11 HB2 GLU 11 10.985 9.963 7.713 90 HB3 GLU 11 HB3 GLU 11 11.999 10.277 6.312 91 HG2 GLU 11 HG2 GLU 11 12.682 12.116 8.381 92 HG3 GLU 11 HG3 GLU 11 12.674 10.480 9.036 93 H ARG 12 H ARG 12 11.554 12.172 4.471 94 HA ARG 12 HA ARG 12 13.639 14.008 4.856 95 HB2 ARG 12 HB2 ARG 12 12.954 12.468 2.805 96 HB3 ARG 12 HB3 ARG 12 12.185 13.950 2.254 97 HG2 ARG 12 HG2 ARG 12 14.130 14.878 1.687 98 HG3 ARG 12 HG3 ARG 12 14.916 14.355 3.178 99 HD2 ARG 12 HD2 ARG 12 15.934 13.372 1.152 100 HD3 ARG 12 HD3 ARG 12 15.295 12.159 2.260 101 HE ARG 12 HE ARG 12 13.365 12.843 0.304 102 HH11 ARG 12 HH11 ARG 12 16.317 11.051 0.748 103 HH12 ARG 12 HH12 ARG 12 15.975 9.921 -0.521 104 HH21 ARG 12 HH21 ARG 12 12.904 11.361 -1.368 105 HH22 ARG 12 HH22 ARG 12 14.034 10.099 -1.724 106 H LEU 13 H LEU 13 10.313 14.517 3.696 107 HA LEU 13 HA LEU 13 10.516 17.302 3.373 108 HB2 LEU 13 HB2 LEU 13 8.586 15.363 2.949 109 HB3 LEU 13 HB3 LEU 13 7.875 16.404 4.181 110 HG LEU 13 HG LEU 13 8.812 17.230 1.435 111 HD11 LEU 13 HD11 LEU 13 6.542 17.561 0.916 112 HD12 LEU 13 HD12 LEU 13 6.046 17.383 2.599 113 HD13 LEU 13 HD13 LEU 13 6.622 15.981 1.696 114 HD21 LEU 13 HD21 LEU 13 7.327 19.268 2.688 115 HD22 LEU 13 HD22 LEU 13 9.026 19.295 2.215 116 HD23 LEU 13 HD23 LEU 13 8.569 18.765 3.835 117 H GLN 14 H GLN 14 9.269 15.363 6.081 118 HA GLN 14 HA GLN 14 8.480 17.420 7.758 119 HB2 GLN 14 HB2 GLN 14 9.677 14.737 8.462 120 HB3 GLN 14 HB3 GLN 14 8.904 15.809 9.623 121 HG2 GLN 14 HG2 GLN 14 7.297 15.184 7.249 122 HG3 GLN 14 HG3 GLN 14 7.651 13.815 8.302 123 HE21 GLN 14 HE21 GLN 14 6.917 13.858 10.450 124 HE22 GLN 14 HE22 GLN 14 5.623 14.892 10.939 125 H ALA 15 H ALA 15 11.550 15.635 8.101 126 HA ALA 15 HA ALA 15 12.772 17.353 9.888 127 HB1 ALA 15 HB1 ALA 15 13.726 15.328 7.955 128 HB2 ALA 15 HB2 ALA 15 14.925 16.461 8.580 129 HB3 ALA 15 HB3 ALA 15 13.996 15.457 9.693 130 H TRP 16 H TRP 16 12.702 17.504 6.358 131 HA TRP 16 HA TRP 16 14.566 19.504 5.920 132 HB2 TRP 16 HB2 TRP 16 13.620 18.348 4.050 133 HB3 TRP 16 HB3 TRP 16 11.993 18.877 4.469 134 HD1 TRP 16 HD1 TRP 16 11.200 20.593 2.758 135 HE1 TRP 16 HE1 TRP 16 12.249 22.580 1.503 136 HE3 TRP 16 HE3 TRP 16 15.985 20.230 4.519 137 HZ2 TRP 16 HZ2 TRP 16 14.771 23.828 1.287 138 HZ3 TRP 16 HZ3 TRP 16 17.656 21.859 3.738 139 HH2 TRP 16 HH2 TRP 16 17.060 23.620 2.155 140 H GLU 17 H GLU 17 11.079 20.180 5.731 141 HA GLU 17 HA GLU 17 11.303 22.925 6.111 142 HB2 GLU 17 HB2 GLU 17 8.954 22.972 6.352 143 HB3 GLU 17 HB3 GLU 17 9.288 21.614 5.286 144 HG2 GLU 17 HG2 GLU 17 7.834 20.577 6.654 145 HG3 GLU 17 HG3 GLU 17 9.288 20.321 7.618 146 H ARG 18 H ARG 18 11.250 20.329 8.425 147 HA ARG 18 HA ARG 18 10.508 21.669 10.741 148 HB2 ARG 18 HB2 ARG 18 12.097 19.254 10.111 149 HB3 ARG 18 HB3 ARG 18 12.365 19.953 11.702 150 HG2 ARG 18 HG2 ARG 18 9.670 19.180 10.606 151 HG3 ARG 18 HG3 ARG 18 10.650 18.178 11.678 152 HD2 ARG 18 HD2 ARG 18 9.829 19.245 13.442 153 HD3 ARG 18 HD3 ARG 18 10.452 20.772 12.819 154 HE ARG 18 HE ARG 18 8.102 20.269 11.453 155 HH11 ARG 18 HH11 ARG 18 9.087 20.788 14.751 156 HH12 ARG 18 HH12 ARG 18 7.579 21.495 15.228 157 HH21 ARG 18 HH21 ARG 18 6.112 21.198 12.067 158 HH22 ARG 18 HH22 ARG 18 5.887 21.727 13.700 159 H ALA 19 H ALA 19 13.883 20.921 9.859 160 HA ALA 19 HA ALA 19 14.920 22.903 11.634 161 HB1 ALA 19 HB1 ALA 19 16.998 22.083 11.124 162 HB2 ALA 19 HB2 ALA 19 15.995 20.690 10.718 163 HB3 ALA 19 HB3 ALA 19 16.578 21.757 9.442 164 H PHE 20 H PHE 20 14.187 22.773 8.211 165 HA PHE 20 HA PHE 20 15.618 25.026 7.360 166 HB2 PHE 20 HB2 PHE 20 14.754 23.626 5.669 167 HB3 PHE 20 HB3 PHE 20 13.126 23.681 6.338 168 HD1 PHE 20 HD2 PHE 20 15.688 25.658 4.557 169 HD2 PHE 20 HD1 PHE 20 11.596 25.343 5.684 170 HE1 PHE 20 HE2 PHE 20 15.128 27.500 3.024 171 HE2 PHE 20 HE1 PHE 20 11.029 27.183 4.152 172 HZ PHE 20 HZ PHE 20 12.796 28.265 2.821 173 H ARG 21 H ARG 21 12.116 24.833 8.026 174 HA ARG 21 HA ARG 21 11.762 27.642 8.056 175 HB2 ARG 21 HB2 ARG 21 9.922 26.092 7.587 176 HB3 ARG 21 HB3 ARG 21 10.025 25.462 9.226 177 HG2 ARG 21 HG2 ARG 21 8.984 27.261 10.135 178 HG3 ARG 21 HG3 ARG 21 9.610 28.376 8.919 179 HD2 ARG 21 HD2 ARG 21 7.931 27.915 7.432 180 HD3 ARG 21 HD3 ARG 21 7.682 26.285 8.055 181 HE ARG 21 HE ARG 21 6.178 27.123 9.574 182 HH11 ARG 21 HH11 ARG 21 7.956 29.743 8.125 183 HH12 ARG 21 HH12 ARG 21 6.946 30.976 8.804 184 HH21 ARG 21 HH21 ARG 21 4.841 28.738 10.473 185 HH22 ARG 21 HH22 ARG 21 5.175 30.404 10.140 186 H ARG 22 H ARG 22 13.157 25.562 10.295 187 HA ARG 22 HA ARG 22 12.344 26.877 12.702 188 HB2 ARG 22 HB2 ARG 22 14.064 24.646 11.954 189 HB3 ARG 22 HB3 ARG 22 14.748 25.610 13.256 190 HG2 ARG 22 HG2 ARG 22 11.895 24.852 13.485 191 HG3 ARG 22 HG3 ARG 22 13.099 23.579 13.693 192 HD2 ARG 22 HD2 ARG 22 13.414 24.266 15.780 193 HD3 ARG 22 HD3 ARG 22 14.019 25.799 15.155 194 HE ARG 22 HE ARG 22 11.216 25.872 15.173 195 HH11 ARG 22 HH11 ARG 22 13.903 25.816 17.386 196 HH12 ARG 22 HH12 ARG 22 13.063 26.678 18.632 197 HH21 ARG 22 HH21 ARG 22 10.100 27.008 16.805 198 HH22 ARG 22 HH22 ARG 22 10.899 27.356 18.301 199 H GLN 23 H GLN 23 15.242 26.989 10.657 200 HA GLN 23 HA GLN 23 16.269 29.229 12.232 201 HB2 GLN 23 HB2 GLN 23 17.656 27.955 9.887 202 HB3 GLN 23 HB3 GLN 23 18.365 28.853 11.221 203 HG2 GLN 23 HG2 GLN 23 17.120 26.730 12.464 204 HG3 GLN 23 HG3 GLN 23 17.773 26.026 10.986 205 HE21 GLN 23 HE21 GLN 23 18.431 26.787 14.134 206 HE22 GLN 23 HE22 GLN 23 20.157 26.747 14.078 207 H ARG 24 H ARG 24 15.237 28.415 8.955 208 HA ARG 24 HA ARG 24 15.789 31.018 7.897 209 HB2 ARG 24 HB2 ARG 24 14.077 28.782 6.795 210 HB3 ARG 24 HB3 ARG 24 14.571 30.218 5.908 211 HG2 ARG 24 HG2 ARG 24 16.721 28.591 7.121 212 HG3 ARG 24 HG3 ARG 24 15.863 27.898 5.743 213 HD2 ARG 24 HD2 ARG 24 16.403 29.802 4.381 214 HD3 ARG 24 HD3 ARG 24 17.103 30.645 5.762 215 HE ARG 24 HE ARG 24 18.381 28.699 4.116 216 HH11 ARG 24 HH11 ARG 24 18.236 29.968 7.355 217 HH12 ARG 24 HH12 ARG 24 19.859 29.509 7.747 218 HH21 ARG 24 HH21 ARG 24 20.520 28.089 4.621 219 HH22 ARG 24 HH22 ARG 24 21.158 28.441 6.191 220 H GLY 25 H GLY 25 12.641 29.359 7.940 221 HA2 GLY 25 HA2 GLY 25 10.612 30.112 8.818 222 HA3 GLY 25 HA3 GLY 25 11.403 31.604 9.304 223 H ARG 26 H ARG 26 11.229 30.085 6.103 224 HA ARG 26 HA ARG 26 9.193 31.615 5.006 225 HB2 ARG 26 HB2 ARG 26 11.440 33.209 5.542 226 HB3 ARG 26 HB3 ARG 26 11.479 32.916 3.808 227 HG2 ARG 26 HG2 ARG 26 8.821 33.536 4.385 228 HG3 ARG 26 HG3 ARG 26 9.787 34.669 5.333 229 HD2 ARG 26 HD2 ARG 26 11.116 35.026 3.161 230 HD3 ARG 26 HD3 ARG 26 9.748 34.251 2.363 231 HE ARG 26 HE ARG 26 8.545 36.171 2.656 232 HH11 ARG 26 HH11 ARG 26 11.289 36.222 4.797 233 HH12 ARG 26 HH12 ARG 26 11.019 37.853 5.315 234 HH21 ARG 26 HH21 ARG 26 8.179 38.319 3.330 235 HH22 ARG 26 HH22 ARG 26 9.249 39.045 4.481 236 H ARG 27 H ARG 27 9.981 32.079 2.445 237 HA ARG 27 HA ARG 27 9.980 29.538 1.297 238 HB2 ARG 27 HB2 ARG 27 10.203 30.622 -0.808 239 HB3 ARG 27 HB3 ARG 27 9.265 31.703 0.214 240 HG2 ARG 27 HG2 ARG 27 10.688 33.320 -0.283 241 HG3 ARG 27 HG3 ARG 27 11.942 32.433 0.586 242 HD2 ARG 27 HD2 ARG 27 13.015 32.387 -1.377 243 HD3 ARG 27 HD3 ARG 27 11.864 31.123 -1.812 244 HE ARG 27 HE ARG 27 10.584 33.430 -2.467 245 HH11 ARG 27 HH11 ARG 27 13.683 32.057 -3.260 246 HH12 ARG 27 HH12 ARG 27 13.761 32.804 -4.822 247 HH21 ARG 27 HH21 ARG 27 10.675 34.420 -4.520 248 HH22 ARG 27 HH22 ARG 27 12.049 34.149 -5.537 249 HA PRO 28 HA PRO 28 14.163 28.202 1.290 250 HB2 PRO 28 HB2 PRO 28 14.235 26.768 -1.014 251 HB3 PRO 28 HB3 PRO 28 13.393 26.213 0.437 252 HG2 PRO 28 HG2 PRO 28 12.282 27.539 -2.006 253 HG3 PRO 28 HG3 PRO 28 11.642 26.160 -1.092 254 HD2 PRO 28 HD2 PRO 28 10.674 28.673 -0.808 255 HD3 PRO 28 HD3 PRO 28 10.712 27.507 0.531 256 H SER 29 H SER 29 16.095 27.989 -0.309 257 HA SER 29 HA SER 29 16.149 30.235 -2.197 258 HB2 SER 29 HB2 SER 29 17.648 30.009 0.312 259 HB3 SER 29 HB3 SER 29 18.671 30.328 -1.089 260 HG SER 29 HG SER 29 16.832 31.948 0.158 261 H GLN 30 H GLN 30 17.946 30.137 -3.716 262 HA GLN 30 HA GLN 30 18.232 27.652 -4.922 263 HB2 GLN 30 HB2 GLN 30 20.090 28.711 -6.214 264 HB3 GLN 30 HB3 GLN 30 18.606 29.654 -6.190 265 HG2 GLN 30 HG2 GLN 30 20.153 30.502 -3.994 266 HG3 GLN 30 HG3 GLN 30 21.231 30.410 -5.386 267 HE21 GLN 30 HE21 GLN 30 20.084 32.699 -3.862 268 HE22 GLN 30 HE22 GLN 30 19.347 33.704 -5.058 269 H ASP 31 H ASP 31 20.015 29.080 -2.325 270 HA ASP 31 HA ASP 31 22.333 27.428 -2.537 271 HB2 ASP 31 HB2 ASP 31 21.290 29.444 -0.663 272 HB3 ASP 31 HB3 ASP 31 22.274 28.191 0.088 273 H ASP 32 H ASP 32 19.333 27.271 -0.674 274 HA ASP 32 HA ASP 32 20.104 24.871 0.710 275 HB2 ASP 32 HB2 ASP 32 17.936 26.784 0.831 276 HB3 ASP 32 HB3 ASP 32 17.318 25.135 0.876 277 H VAL 33 H VAL 33 18.195 25.685 -2.123 278 HA VAL 33 HA VAL 33 17.099 23.079 -2.498 279 HB VAL 33 HB VAL 33 17.429 25.344 -4.469 280 HG11 VAL 33 HG11 VAL 33 17.190 23.210 -5.614 281 HG12 VAL 33 HG12 VAL 33 15.757 22.839 -4.653 282 HG13 VAL 33 HG13 VAL 33 15.730 24.181 -5.798 283 HG21 VAL 33 HG21 VAL 33 15.989 25.633 -2.351 284 HG22 VAL 33 HG22 VAL 33 15.280 26.045 -3.912 285 HG23 VAL 33 HG23 VAL 33 14.876 24.513 -3.137 286 H GLU 34 H GLU 34 19.939 24.775 -3.725 287 HA GLU 34 HA GLU 34 20.680 22.733 -5.576 288 HB2 GLU 34 HB2 GLU 34 21.398 25.088 -5.809 289 HB3 GLU 34 HB3 GLU 34 22.375 24.919 -4.358 290 HG2 GLU 34 HG2 GLU 34 23.981 23.708 -5.406 291 HG3 GLU 34 HG3 GLU 34 22.849 22.983 -6.546 292 H ALA 35 H ALA 35 20.850 22.972 -2.218 293 HA ALA 35 HA ALA 35 23.210 21.298 -1.935 294 HB1 ALA 35 HB1 ALA 35 21.350 22.149 0.267 295 HB2 ALA 35 HB2 ALA 35 23.040 21.659 0.388 296 HB3 ALA 35 HB3 ALA 35 22.620 23.197 -0.364 297 H ALA 36 H ALA 36 20.830 20.274 -3.323 298 HA ALA 36 HA ALA 36 20.614 17.774 -1.873 299 HB1 ALA 36 HB1 ALA 36 18.527 17.960 -1.133 300 HB2 ALA 36 HB2 ALA 36 18.609 19.676 -1.537 301 HB3 ALA 36 HB3 ALA 36 17.955 18.525 -2.703 302 HA PRO 37 HA PRO 37 20.438 15.998 -5.881 303 HB2 PRO 37 HB2 PRO 37 18.748 13.901 -5.538 304 HB3 PRO 37 HB3 PRO 37 20.384 13.935 -4.871 305 HG2 PRO 37 HG2 PRO 37 17.777 14.518 -3.521 306 HG3 PRO 37 HG3 PRO 37 19.161 13.584 -2.925 307 HD2 PRO 37 HD2 PRO 37 18.698 16.144 -2.173 308 HD3 PRO 37 HD3 PRO 37 20.335 15.473 -2.320 309 H GLU 38 H GLU 38 18.786 15.059 -7.545 310 HA GLU 38 HA GLU 38 17.046 17.137 -8.286 311 HB2 GLU 38 HB2 GLU 38 17.995 14.713 -9.420 312 HB3 GLU 38 HB3 GLU 38 16.241 14.692 -9.534 313 HG2 GLU 38 HG2 GLU 38 16.374 16.969 -10.569 314 HG3 GLU 38 HG3 GLU 38 18.123 16.762 -10.630 315 H GLU 39 H GLU 39 16.203 13.809 -7.302 316 HA GLU 39 HA GLU 39 13.479 14.077 -7.140 317 HB2 GLU 39 HB2 GLU 39 15.454 12.391 -5.665 318 HB3 GLU 39 HB3 GLU 39 13.780 12.389 -5.131 319 HG2 GLU 39 HG2 GLU 39 13.018 11.401 -7.065 320 HG3 GLU 39 HG3 GLU 39 14.406 11.936 -8.010 321 H THR 40 H THR 40 15.773 14.579 -4.458 322 HA THR 40 HA THR 40 13.896 15.453 -2.576 323 HB THR 40 HB THR 40 16.821 16.197 -2.780 324 HG1 THR 40 HG1 THR 40 16.975 14.467 -1.191 325 HG21 THR 40 HG21 THR 40 16.600 16.549 -0.311 326 HG22 THR 40 HG22 THR 40 14.852 16.419 -0.504 327 HG23 THR 40 HG23 THR 40 15.732 17.729 -1.291 328 H ARG 41 H ARG 41 15.857 17.279 -4.898 329 HA ARG 41 HA ARG 41 15.243 19.858 -4.100 330 HB2 ARG 41 HB2 ARG 41 16.074 18.585 -6.645 331 HB3 ARG 41 HB3 ARG 41 15.376 20.195 -6.768 332 HG2 ARG 41 HG2 ARG 41 17.071 21.151 -5.460 333 HG3 ARG 41 HG3 ARG 41 17.616 19.579 -4.872 334 HD2 ARG 41 HD2 ARG 41 18.904 19.222 -6.674 335 HD3 ARG 41 HD3 ARG 41 17.685 19.849 -7.783 336 HE ARG 41 HE ARG 41 19.879 21.303 -6.604 337 HH11 ARG 41 HH11 ARG 41 16.762 21.516 -8.141 338 HH12 ARG 41 HH12 ARG 41 16.998 23.143 -8.687 339 HH21 ARG 41 HH21 ARG 41 20.201 23.445 -7.318 340 HH22 ARG 41 HH22 ARG 41 18.955 24.239 -8.219 341 H ALA 42 H ALA 42 13.449 17.729 -6.297 342 HA ALA 42 HA ALA 42 11.426 19.601 -6.938 343 HB1 ALA 42 HB1 ALA 42 10.933 18.022 -8.413 344 HB2 ALA 42 HB2 ALA 42 12.072 16.928 -7.627 345 HB3 ALA 42 HB3 ALA 42 10.387 16.965 -7.111 346 H LEU 43 H LEU 43 11.552 16.947 -4.575 347 HA LEU 43 HA LEU 43 8.975 17.158 -3.567 348 HB2 LEU 43 HB2 LEU 43 11.568 16.177 -2.502 349 HB3 LEU 43 HB3 LEU 43 10.245 16.407 -1.361 350 HG LEU 43 HG LEU 43 10.192 14.611 -3.786 351 HD11 LEU 43 HD11 LEU 43 11.581 13.563 -2.223 352 HD12 LEU 43 HD12 LEU 43 9.991 12.852 -1.947 353 HD13 LEU 43 HD13 LEU 43 10.601 14.098 -0.858 354 HD21 LEU 43 HD21 LEU 43 8.149 15.205 -1.656 355 HD22 LEU 43 HD22 LEU 43 8.075 13.792 -2.709 356 HD23 LEU 43 HD23 LEU 43 7.989 15.413 -3.400 357 H TYR 44 H TYR 44 11.935 18.753 -2.396 358 HA TYR 44 HA TYR 44 10.696 20.222 -0.341 359 HB2 TYR 44 HB2 TYR 44 13.242 20.712 -1.890 360 HB3 TYR 44 HB3 TYR 44 12.747 21.687 -0.511 361 HD1 TYR 44 HD1 TYR 44 11.565 18.552 0.242 362 HD2 TYR 44 HD2 TYR 44 15.251 20.651 -0.090 363 HE1 TYR 44 HE1 TYR 44 12.618 16.932 1.763 364 HE2 TYR 44 HE2 TYR 44 16.314 19.036 1.429 365 HH TYR 44 HH TYR 44 15.312 17.409 3.378 366 H ARG 45 H ARG 45 11.866 21.413 -3.497 367 HA ARG 45 HA ARG 45 10.767 23.944 -3.386 368 HB2 ARG 45 HB2 ARG 45 11.496 22.110 -5.631 369 HB3 ARG 45 HB3 ARG 45 10.631 23.597 -5.997 370 HG2 ARG 45 HG2 ARG 45 12.735 24.284 -4.253 371 HG3 ARG 45 HG3 ARG 45 13.406 23.211 -5.483 372 HD2 ARG 45 HD2 ARG 45 11.608 25.463 -6.278 373 HD3 ARG 45 HD3 ARG 45 13.303 25.779 -5.910 374 HE ARG 45 HE ARG 45 13.004 23.628 -7.753 375 HH11 ARG 45 HH11 ARG 45 12.981 27.098 -7.479 376 HH12 ARG 45 HH12 ARG 45 13.452 27.362 -9.126 377 HH21 ARG 45 HH21 ARG 45 13.624 23.962 -9.923 378 HH22 ARG 45 HH22 ARG 45 13.817 25.577 -10.515 379 H GLU 46 H GLU 46 9.204 20.904 -3.944 380 HA GLU 46 HA GLU 46 6.841 21.921 -5.164 381 HB2 GLU 46 HB2 GLU 46 7.429 19.592 -5.436 382 HB3 GLU 46 HB3 GLU 46 7.381 19.336 -3.697 383 HG2 GLU 46 HG2 GLU 46 5.179 19.020 -3.693 384 HG3 GLU 46 HG3 GLU 46 4.889 20.397 -4.754 385 H TYR 47 H TYR 47 7.369 20.607 -1.887 386 HA TYR 47 HA TYR 47 4.903 21.529 -0.869 387 HB2 TYR 47 HB2 TYR 47 6.554 19.726 0.052 388 HB3 TYR 47 HB3 TYR 47 7.292 21.086 0.890 389 HD1 TYR 47 HD2 TYR 47 5.669 22.571 2.296 390 HD2 TYR 47 HD1 TYR 47 4.782 18.603 1.043 391 HE1 TYR 47 HE2 TYR 47 3.988 22.388 4.082 392 HE2 TYR 47 HE1 TYR 47 3.097 18.410 2.825 393 HH TYR 47 HH TYR 47 2.010 21.107 4.625 394 H ARG 48 H ARG 48 8.015 23.024 -1.236 395 HA ARG 48 HA ARG 48 7.542 25.166 0.608 396 HB2 ARG 48 HB2 ARG 48 9.657 24.400 -1.309 397 HB3 ARG 48 HB3 ARG 48 9.493 26.125 -1.008 398 HG2 ARG 48 HG2 ARG 48 11.146 24.906 0.440 399 HG3 ARG 48 HG3 ARG 48 9.936 25.865 1.295 400 HD2 ARG 48 HD2 ARG 48 9.260 23.035 0.766 401 HD3 ARG 48 HD3 ARG 48 10.537 23.335 1.944 402 HE ARG 48 HE ARG 48 8.442 25.009 2.616 403 HH11 ARG 48 HH11 ARG 48 8.998 21.584 2.339 404 HH12 ARG 48 HH12 ARG 48 7.846 21.165 3.563 405 HH21 ARG 48 HH21 ARG 48 6.922 24.471 4.229 406 HH22 ARG 48 HH22 ARG 48 6.664 22.808 4.637 407 H THR 49 H THR 49 7.463 24.852 -2.930 408 HA THR 49 HA THR 49 6.742 27.518 -3.474 409 HB THR 49 HB THR 49 6.293 24.997 -5.077 410 HG1 THR 49 HG1 THR 49 8.310 26.943 -4.896 411 HG21 THR 49 HG21 THR 49 5.629 27.855 -5.669 412 HG22 THR 49 HG22 THR 49 4.697 26.396 -6.007 413 HG23 THR 49 HG23 THR 49 6.120 26.777 -6.975 414 H LEU 50 H LEU 50 4.810 24.618 -2.884 415 HA LEU 50 HA LEU 50 2.303 25.844 -3.448 416 HB2 LEU 50 HB2 LEU 50 3.270 23.274 -2.444 417 HB3 LEU 50 HB3 LEU 50 1.725 23.768 -1.756 418 HG LEU 50 HG LEU 50 1.539 22.283 -3.744 419 HD11 LEU 50 HD11 LEU 50 0.394 25.058 -4.021 420 HD12 LEU 50 HD12 LEU 50 -0.305 23.721 -3.109 421 HD13 LEU 50 HD13 LEU 50 -0.187 23.622 -4.865 422 HD21 LEU 50 HD21 LEU 50 2.518 24.676 -5.292 423 HD22 LEU 50 HD22 LEU 50 2.058 23.097 -5.929 424 HD23 LEU 50 HD23 LEU 50 3.506 23.259 -4.935 425 H LYS 51 H LYS 51 4.088 25.175 -0.458 426 HA LYS 51 HA LYS 51 2.114 26.180 1.301 427 HB2 LYS 51 HB2 LYS 51 3.906 24.693 2.057 428 HB3 LYS 51 HB3 LYS 51 5.104 25.926 1.684 429 HG2 LYS 51 HG2 LYS 51 3.048 26.929 3.456 430 HG3 LYS 51 HG3 LYS 51 3.859 25.507 4.117 431 HD2 LYS 51 HD2 LYS 51 6.007 26.831 3.265 432 HD3 LYS 51 HD3 LYS 51 4.933 28.209 3.517 433 HE2 LYS 51 HE2 LYS 51 5.269 26.109 5.628 434 HE3 LYS 51 HE3 LYS 51 6.434 27.422 5.466 435 HZ1 LYS 51 HZ1 LYS 51 4.846 28.120 7.036 436 HZ2 LYS 51 HZ2 LYS 51 3.543 27.628 6.077 437 HZ3 LYS 51 HZ3 LYS 51 4.475 28.963 5.616 438 H ARG 52 H ARG 52 5.077 27.646 -0.016 439 HA ARG 52 HA ARG 52 4.774 30.148 1.228 440 HB2 ARG 52 HB2 ARG 52 6.212 29.322 -1.294 441 HB3 ARG 52 HB3 ARG 52 6.289 30.952 -0.639 442 HG2 ARG 52 HG2 ARG 52 7.191 28.439 0.753 443 HG3 ARG 52 HG3 ARG 52 8.233 29.656 0.013 444 HD2 ARG 52 HD2 ARG 52 6.426 29.991 2.400 445 HD3 ARG 52 HD3 ARG 52 8.188 30.043 2.374 446 HE ARG 52 HE ARG 52 7.398 32.035 0.672 447 HH11 ARG 52 HH11 ARG 52 6.810 31.242 4.010 448 HH12 ARG 52 HH12 ARG 52 6.610 32.891 4.502 449 HH21 ARG 52 HH21 ARG 52 7.137 34.210 1.307 450 HH22 ARG 52 HH22 ARG 52 6.795 34.578 2.964 451 H THR 53 H THR 53 4.113 29.267 -2.168 452 HA THR 53 HA THR 53 2.937 31.622 -2.985 453 HB THR 53 HB THR 53 2.192 28.820 -3.848 454 HG1 THR 53 HG1 THR 53 3.943 30.675 -5.110 455 HG21 THR 53 HG21 THR 53 1.837 30.505 -5.999 456 HG22 THR 53 HG22 THR 53 1.209 31.448 -4.647 457 HG23 THR 53 HG23 THR 53 0.554 29.846 -4.985 458 H THR 54 H THR 54 1.247 28.742 -1.730 459 HA THR 54 HA THR 54 -1.312 29.929 -1.689 460 HB THR 54 HB THR 54 -0.261 27.611 -0.055 461 HG1 THR 54 HG1 THR 54 -1.889 27.502 -2.377 462 HG21 THR 54 HG21 THR 54 -2.938 27.195 -0.396 463 HG22 THR 54 HG22 THR 54 -2.872 28.942 -0.163 464 HG23 THR 54 HG23 THR 54 -2.199 27.862 1.059 465 H GLY 55 H GLY 55 1.387 30.171 0.439 466 HA2 GLY 55 HA2 GLY 55 1.705 31.561 2.252 467 HA3 GLY 55 HA3 GLY 55 0.074 32.170 2.012 468 H GLN 56 H GLN 56 0.460 28.763 2.311 469 HA GLN 56 HA GLN 56 -0.251 27.272 3.875 470 HB2 GLN 56 HB2 GLN 56 1.687 28.592 5.065 471 HB3 GLN 56 HB3 GLN 56 0.377 29.221 6.056 472 HG2 GLN 56 HG2 GLN 56 -0.202 26.620 6.196 473 HG3 GLN 56 HG3 GLN 56 1.538 26.509 5.938 474 HE21 GLN 56 HE21 GLN 56 2.679 26.428 7.722 475 HE22 GLN 56 HE22 GLN 56 2.260 27.136 9.241 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.292 -0.547 -1.678 2 HA2 GLY 1 HA2 GLY 1 1.641 -0.958 0.870 3 HA3 GLY 1 HA3 GLY 1 2.241 -1.423 -0.715 4 H SER 2 H SER 2 4.131 -0.448 -1.013 5 HA SER 2 HA SER 2 5.766 1.140 -1.056 6 HB2 SER 2 HB2 SER 2 3.785 3.339 -1.335 7 HB3 SER 2 HB3 SER 2 5.221 2.986 -2.296 8 HG SER 2 HG SER 2 4.020 1.209 -3.197 9 H MET 3 H MET 3 5.116 0.456 1.503 10 HA MET 3 HA MET 3 4.509 2.721 3.131 11 HB2 MET 3 HB2 MET 3 4.449 0.061 3.568 12 HB3 MET 3 HB3 MET 3 5.992 0.449 4.318 13 HG2 MET 3 HG2 MET 3 4.674 2.299 5.538 14 HG3 MET 3 HG3 MET 3 3.250 1.379 5.056 15 HE1 MET 3 HE1 MET 3 2.173 0.217 6.556 16 HE2 MET 3 HE2 MET 3 2.757 -0.760 7.902 17 HE3 MET 3 HE3 MET 3 2.755 1.000 8.025 18 H GLU 4 H GLU 4 7.513 0.884 2.564 19 HA GLU 4 HA GLU 4 9.242 2.412 4.076 20 HB2 GLU 4 HB2 GLU 4 10.995 1.692 2.356 21 HB3 GLU 4 HB3 GLU 4 10.109 0.420 3.185 22 HG2 GLU 4 HG2 GLU 4 8.720 0.047 1.279 23 HG3 GLU 4 HG3 GLU 4 9.386 1.458 0.458 24 H ARG 5 H ARG 5 8.136 2.957 0.764 25 HA ARG 5 HA ARG 5 9.813 5.153 0.199 26 HB2 ARG 5 HB2 ARG 5 7.111 4.404 -0.930 27 HB3 ARG 5 HB3 ARG 5 8.148 5.662 -1.590 28 HG2 ARG 5 HG2 ARG 5 9.141 2.856 -1.276 29 HG3 ARG 5 HG3 ARG 5 8.183 3.339 -2.678 30 HD2 ARG 5 HD2 ARG 5 9.876 5.258 -2.913 31 HD3 ARG 5 HD3 ARG 5 10.884 4.316 -1.815 32 HE ARG 5 HE ARG 5 10.041 2.650 -3.901 33 HH11 ARG 5 HH11 ARG 5 12.093 5.411 -3.366 34 HH12 ARG 5 HH12 ARG 5 13.168 5.029 -4.671 35 HH21 ARG 5 HH21 ARG 5 11.449 2.136 -5.621 36 HH22 ARG 5 HH22 ARG 5 12.800 3.166 -5.953 37 H LEU 6 H LEU 6 6.371 5.087 1.139 38 HA LEU 6 HA LEU 6 5.998 7.829 1.376 39 HB2 LEU 6 HB2 LEU 6 4.088 6.466 1.415 40 HB3 LEU 6 HB3 LEU 6 4.714 5.484 2.739 41 HG LEU 6 HG LEU 6 4.364 7.345 4.287 42 HD11 LEU 6 HD11 LEU 6 3.103 9.324 3.543 43 HD12 LEU 6 HD12 LEU 6 3.241 8.764 1.876 44 HD13 LEU 6 HD13 LEU 6 4.689 9.207 2.780 45 HD21 LEU 6 HD21 LEU 6 2.220 6.773 4.625 46 HD22 LEU 6 HD22 LEU 6 2.478 5.677 3.267 47 HD23 LEU 6 HD23 LEU 6 1.729 7.252 3.001 48 H ARG 7 H ARG 7 7.306 5.515 3.685 49 HA ARG 7 HA ARG 7 7.355 7.229 5.927 50 HB2 ARG 7 HB2 ARG 7 7.636 4.711 5.920 51 HB3 ARG 7 HB3 ARG 7 9.288 4.978 5.379 52 HG2 ARG 7 HG2 ARG 7 9.595 4.772 7.635 53 HG3 ARG 7 HG3 ARG 7 9.412 6.521 7.486 54 HD2 ARG 7 HD2 ARG 7 7.333 6.523 8.446 55 HD3 ARG 7 HD3 ARG 7 6.972 4.879 7.922 56 HE ARG 7 HE ARG 7 9.041 4.743 9.783 57 HH11 ARG 7 HH11 ARG 7 5.682 5.649 9.655 58 HH12 ARG 7 HH12 ARG 7 5.369 5.223 11.305 59 HH21 ARG 7 HH21 ARG 7 8.642 4.179 11.957 60 HH22 ARG 7 HH22 ARG 7 7.054 4.387 12.614 61 H ASP 8 H ASP 8 9.961 6.304 3.675 62 HA ASP 8 HA ASP 8 11.905 8.032 4.720 63 HB2 ASP 8 HB2 ASP 8 11.622 6.997 1.890 64 HB3 ASP 8 HB3 ASP 8 13.081 7.705 2.578 65 H VAL 9 H VAL 9 9.563 8.489 2.100 66 HA VAL 9 HA VAL 9 10.446 11.052 1.317 67 HB VAL 9 HB VAL 9 7.693 9.834 1.058 68 HG11 VAL 9 HG11 VAL 9 8.943 12.273 -0.180 69 HG12 VAL 9 HG12 VAL 9 7.535 11.466 -0.874 70 HG13 VAL 9 HG13 VAL 9 7.446 12.161 0.745 71 HG21 VAL 9 HG21 VAL 9 8.422 8.670 -0.708 72 HG22 VAL 9 HG22 VAL 9 9.371 10.023 -1.322 73 HG23 VAL 9 HG23 VAL 9 10.041 8.970 -0.075 74 H ARG 10 H ARG 10 7.518 10.188 3.170 75 HA ARG 10 HA ARG 10 6.786 12.740 3.935 76 HB2 ARG 10 HB2 ARG 10 5.330 11.752 5.457 77 HB3 ARG 10 HB3 ARG 10 5.586 10.468 4.283 78 HG2 ARG 10 HG2 ARG 10 7.265 9.466 5.779 79 HG3 ARG 10 HG3 ARG 10 6.925 10.727 6.966 80 HD2 ARG 10 HD2 ARG 10 4.649 9.133 5.907 81 HD3 ARG 10 HD3 ARG 10 5.738 8.367 7.063 82 HE ARG 10 HE ARG 10 5.104 10.764 8.203 83 HH11 ARG 10 HH11 ARG 10 3.286 8.050 6.999 84 HH12 ARG 10 HH12 ARG 10 1.975 8.269 8.111 85 HH21 ARG 10 HH21 ARG 10 3.384 11.062 9.672 86 HH22 ARG 10 HH22 ARG 10 2.031 9.983 9.630 87 H GLU 11 H GLU 11 9.225 10.628 5.299 88 HA GLU 11 HA GLU 11 9.643 12.093 7.695 89 HB2 GLU 11 HB2 GLU 11 10.388 9.816 7.589 90 HB3 GLU 11 HB3 GLU 11 11.387 10.149 6.182 91 HG2 GLU 11 HG2 GLU 11 12.944 11.379 7.453 92 HG3 GLU 11 HG3 GLU 11 11.862 11.455 8.841 93 H ARG 12 H ARG 12 11.357 12.042 4.579 94 HA ARG 12 HA ARG 12 13.319 13.928 5.201 95 HB2 ARG 12 HB2 ARG 12 12.177 12.772 2.742 96 HB3 ARG 12 HB3 ARG 12 12.916 14.355 2.541 97 HG2 ARG 12 HG2 ARG 12 14.645 12.720 4.113 98 HG3 ARG 12 HG3 ARG 12 14.179 11.843 2.654 99 HD2 ARG 12 HD2 ARG 12 15.029 13.522 1.246 100 HD3 ARG 12 HD3 ARG 12 15.124 14.691 2.562 101 HE ARG 12 HE ARG 12 16.790 12.409 2.997 102 HH11 ARG 12 HH11 ARG 12 16.572 15.477 1.367 103 HH12 ARG 12 HH12 ARG 12 18.288 15.708 1.294 104 HH21 ARG 12 HH21 ARG 12 19.050 12.701 2.907 105 HH22 ARG 12 HH22 ARG 12 19.697 14.127 2.169 106 H LEU 13 H LEU 13 10.049 14.352 3.925 107 HA LEU 13 HA LEU 13 10.232 17.135 3.474 108 HB2 LEU 13 HB2 LEU 13 8.365 15.169 3.006 109 HB3 LEU 13 HB3 LEU 13 7.585 16.171 4.229 110 HG LEU 13 HG LEU 13 8.623 17.137 1.564 111 HD11 LEU 13 HD11 LEU 13 6.540 16.944 0.710 112 HD12 LEU 13 HD12 LEU 13 5.755 17.236 2.261 113 HD13 LEU 13 HD13 LEU 13 6.425 15.646 1.898 114 HD21 LEU 13 HD21 LEU 13 8.222 18.568 3.912 115 HD22 LEU 13 HD22 LEU 13 6.762 18.851 2.964 116 HD23 LEU 13 HD23 LEU 13 8.344 19.224 2.279 117 H GLN 14 H GLN 14 8.786 15.299 6.166 118 HA GLN 14 HA GLN 14 7.971 17.404 7.747 119 HB2 GLN 14 HB2 GLN 14 9.098 14.728 8.582 120 HB3 GLN 14 HB3 GLN 14 8.299 15.844 9.681 121 HG2 GLN 14 HG2 GLN 14 6.798 15.140 7.248 122 HG3 GLN 14 HG3 GLN 14 7.051 13.838 8.410 123 HE21 GLN 14 HE21 GLN 14 6.335 14.187 10.597 124 HE22 GLN 14 HE22 GLN 14 4.992 15.230 10.902 125 H ALA 15 H ALA 15 11.056 15.648 8.127 126 HA ALA 15 HA ALA 15 12.201 17.377 9.983 127 HB1 ALA 15 HB1 ALA 15 14.134 16.227 8.129 128 HB2 ALA 15 HB2 ALA 15 13.948 15.989 9.867 129 HB3 ALA 15 HB3 ALA 15 12.966 15.054 8.738 130 H TRP 16 H TRP 16 12.311 17.450 6.445 131 HA TRP 16 HA TRP 16 14.170 19.451 6.047 132 HB2 TRP 16 HB2 TRP 16 13.319 18.287 4.151 133 HB3 TRP 16 HB3 TRP 16 11.663 18.767 4.513 134 HD1 TRP 16 HD1 TRP 16 10.861 20.471 2.796 135 HE1 TRP 16 HE1 TRP 16 11.892 22.472 1.547 136 HE3 TRP 16 HE3 TRP 16 15.624 20.210 4.637 137 HZ2 TRP 16 HZ2 TRP 16 14.394 23.767 1.365 138 HZ3 TRP 16 HZ3 TRP 16 17.275 21.867 3.874 139 HH2 TRP 16 HH2 TRP 16 16.671 23.608 2.272 140 H GLU 17 H GLU 17 10.698 20.132 5.697 141 HA GLU 17 HA GLU 17 10.863 22.870 5.991 142 HB2 GLU 17 HB2 GLU 17 8.498 22.871 6.376 143 HB3 GLU 17 HB3 GLU 17 8.857 21.584 5.233 144 HG2 GLU 17 HG2 GLU 17 7.449 20.458 6.598 145 HG3 GLU 17 HG3 GLU 17 8.959 20.145 7.452 146 H ARG 18 H ARG 18 10.706 20.388 8.462 147 HA ARG 18 HA ARG 18 10.060 21.883 10.695 148 HB2 ARG 18 HB2 ARG 18 11.514 19.371 10.186 149 HB3 ARG 18 HB3 ARG 18 11.901 20.153 11.713 150 HG2 ARG 18 HG2 ARG 18 9.122 19.445 10.798 151 HG3 ARG 18 HG3 ARG 18 10.102 18.486 11.908 152 HD2 ARG 18 HD2 ARG 18 9.625 19.818 13.638 153 HD3 ARG 18 HD3 ARG 18 9.922 21.279 12.697 154 HE ARG 18 HE ARG 18 7.468 20.157 11.912 155 HH11 ARG 18 HH11 ARG 18 8.937 21.787 14.615 156 HH12 ARG 18 HH12 ARG 18 7.452 22.488 15.167 157 HH21 ARG 18 HH21 ARG 18 5.506 21.074 12.629 158 HH22 ARG 18 HH22 ARG 18 5.501 22.081 14.037 159 H ALA 19 H ALA 19 13.415 20.876 10.084 160 HA ALA 19 HA ALA 19 14.530 22.921 11.670 161 HB1 ALA 19 HB1 ALA 19 16.226 21.795 9.541 162 HB2 ALA 19 HB2 ALA 19 16.507 21.910 11.278 163 HB3 ALA 19 HB3 ALA 19 15.484 20.626 10.634 164 H PHE 20 H PHE 20 13.812 22.703 8.239 165 HA PHE 20 HA PHE 20 15.286 24.783 7.209 166 HB2 PHE 20 HB2 PHE 20 14.093 23.592 5.611 167 HB3 PHE 20 HB3 PHE 20 12.594 23.661 6.531 168 HD1 PHE 20 HD1 PHE 20 14.972 25.860 4.697 169 HD2 PHE 20 HD2 PHE 20 10.954 25.161 5.915 170 HE1 PHE 20 HE1 PHE 20 14.230 27.768 3.332 171 HE2 PHE 20 HE2 PHE 20 10.206 27.067 4.551 172 HZ PHE 20 HZ PHE 20 11.844 28.373 3.257 173 H ARG 21 H ARG 21 11.861 25.133 8.142 174 HA ARG 21 HA ARG 21 11.950 27.954 8.192 175 HB2 ARG 21 HB2 ARG 21 9.847 26.816 7.878 176 HB3 ARG 21 HB3 ARG 21 10.005 26.003 9.430 177 HG2 ARG 21 HG2 ARG 21 9.231 27.766 10.578 178 HG3 ARG 21 HG3 ARG 21 10.083 28.932 9.562 179 HD2 ARG 21 HD2 ARG 21 8.311 29.236 8.216 180 HD3 ARG 21 HD3 ARG 21 7.902 27.521 8.210 181 HE ARG 21 HE ARG 21 7.293 28.817 10.693 182 HH11 ARG 21 HH11 ARG 21 6.149 28.157 7.472 183 HH12 ARG 21 HH12 ARG 21 4.477 28.331 7.890 184 HH21 ARG 21 HH21 ARG 21 5.095 29.048 11.256 185 HH22 ARG 21 HH22 ARG 21 3.878 28.838 10.042 186 H ARG 22 H ARG 22 13.161 25.673 10.351 187 HA ARG 22 HA ARG 22 12.744 27.036 12.810 188 HB2 ARG 22 HB2 ARG 22 13.545 24.558 12.237 189 HB3 ARG 22 HB3 ARG 22 15.129 25.294 12.443 190 HG2 ARG 22 HG2 ARG 22 14.518 26.014 14.687 191 HG3 ARG 22 HG3 ARG 22 12.913 25.310 14.482 192 HD2 ARG 22 HD2 ARG 22 13.695 23.365 15.210 193 HD3 ARG 22 HD3 ARG 22 14.789 23.305 13.829 194 HE ARG 22 HE ARG 22 16.521 23.892 15.212 195 HH11 ARG 22 HH11 ARG 22 13.497 24.464 16.840 196 HH12 ARG 22 HH12 ARG 22 14.234 24.793 18.373 197 HH21 ARG 22 HH21 ARG 22 17.504 24.324 17.225 198 HH22 ARG 22 HH22 ARG 22 16.514 24.714 18.590 199 H GLN 23 H GLN 23 15.608 26.761 10.703 200 HA GLN 23 HA GLN 23 16.824 29.019 12.106 201 HB2 GLN 23 HB2 GLN 23 18.868 28.423 10.887 202 HB3 GLN 23 HB3 GLN 23 18.222 27.047 11.771 203 HG2 GLN 23 HG2 GLN 23 17.041 26.599 9.436 204 HG3 GLN 23 HG3 GLN 23 18.440 27.501 8.856 205 HE21 GLN 23 HE21 GLN 23 17.283 24.534 10.072 206 HE22 GLN 23 HE22 GLN 23 18.785 23.680 10.070 207 H ARG 24 H ARG 24 15.847 28.018 8.853 208 HA ARG 24 HA ARG 24 16.664 30.397 7.552 209 HB2 ARG 24 HB2 ARG 24 14.443 28.566 6.650 210 HB3 ARG 24 HB3 ARG 24 15.463 29.594 5.653 211 HG2 ARG 24 HG2 ARG 24 17.180 27.863 7.066 212 HG3 ARG 24 HG3 ARG 24 15.857 26.883 6.431 213 HD2 ARG 24 HD2 ARG 24 16.319 27.485 4.220 214 HD3 ARG 24 HD3 ARG 24 17.279 28.881 4.707 215 HE ARG 24 HE ARG 24 18.212 26.227 4.333 216 HH11 ARG 24 HH11 ARG 24 18.655 29.064 6.302 217 HH12 ARG 24 HH12 ARG 24 20.308 28.706 6.676 218 HH21 ARG 24 HH21 ARG 24 20.388 25.744 4.819 219 HH22 ARG 24 HH22 ARG 24 21.293 26.818 5.832 220 H GLY 25 H GLY 25 13.509 29.305 8.781 221 HA2 GLY 25 HA2 GLY 25 11.565 30.457 9.197 222 HA3 GLY 25 HA3 GLY 25 12.637 31.747 9.720 223 H ARG 26 H ARG 26 12.484 30.503 6.439 224 HA ARG 26 HA ARG 26 10.648 32.257 5.325 225 HB2 ARG 26 HB2 ARG 26 12.978 33.617 6.158 226 HB3 ARG 26 HB3 ARG 26 13.065 33.513 4.405 227 HG2 ARG 26 HG2 ARG 26 10.955 34.612 4.168 228 HG3 ARG 26 HG3 ARG 26 10.676 34.553 5.910 229 HD2 ARG 26 HD2 ARG 26 13.200 35.817 5.266 230 HD3 ARG 26 HD3 ARG 26 11.848 36.624 4.474 231 HE ARG 26 HE ARG 26 11.214 36.153 7.177 232 HH11 ARG 26 HH11 ARG 26 13.268 38.139 5.188 233 HH12 ARG 26 HH12 ARG 26 13.318 39.449 6.320 234 HH21 ARG 26 HH21 ARG 26 11.272 37.872 8.676 235 HH22 ARG 26 HH22 ARG 26 12.183 39.296 8.304 236 H ARG 27 H ARG 27 11.083 32.594 2.898 237 HA ARG 27 HA ARG 27 11.308 30.195 1.614 238 HB2 ARG 27 HB2 ARG 27 10.939 32.830 0.835 239 HB3 ARG 27 HB3 ARG 27 12.402 32.352 -0.014 240 HG2 ARG 27 HG2 ARG 27 10.345 30.323 -0.189 241 HG3 ARG 27 HG3 ARG 27 9.798 31.882 -0.810 242 HD2 ARG 27 HD2 ARG 27 11.832 31.986 -2.216 243 HD3 ARG 27 HD3 ARG 27 12.274 30.377 -1.646 244 HE ARG 27 HE ARG 27 10.715 29.479 -3.066 245 HH11 ARG 27 HH11 ARG 27 10.162 32.903 -2.765 246 HH12 ARG 27 HH12 ARG 27 8.979 32.955 -4.029 247 HH21 ARG 27 HH21 ARG 27 9.158 29.535 -4.731 248 HH22 ARG 27 HH22 ARG 27 8.407 31.039 -5.146 249 HA PRO 28 HA PRO 28 15.560 29.048 1.752 250 HB2 PRO 28 HB2 PRO 28 15.576 27.295 -0.320 251 HB3 PRO 28 HB3 PRO 28 14.842 26.925 1.245 252 HG2 PRO 28 HG2 PRO 28 13.537 27.832 -1.292 253 HG3 PRO 28 HG3 PRO 28 13.015 26.579 -0.151 254 HD2 PRO 28 HD2 PRO 28 11.943 29.065 -0.175 255 HD3 PRO 28 HD3 PRO 28 12.110 28.111 1.314 256 H SER 29 H SER 29 17.508 29.003 0.392 257 HA SER 29 HA SER 29 17.349 31.008 -1.759 258 HB2 SER 29 HB2 SER 29 19.216 30.617 0.481 259 HB3 SER 29 HB3 SER 29 19.998 30.934 -1.068 260 HG SER 29 HG SER 29 19.461 32.845 0.150 261 H GLN 30 H GLN 30 18.943 30.787 -3.504 262 HA GLN 30 HA GLN 30 18.829 28.290 -4.735 263 HB2 GLN 30 HB2 GLN 30 20.393 30.788 -5.212 264 HB3 GLN 30 HB3 GLN 30 20.846 29.334 -6.092 265 HG2 GLN 30 HG2 GLN 30 19.105 29.493 -7.467 266 HG3 GLN 30 HG3 GLN 30 17.985 29.840 -6.151 267 HE21 GLN 30 HE21 GLN 30 16.893 31.546 -6.895 268 HE22 GLN 30 HE22 GLN 30 17.604 33.040 -7.390 269 H ASP 31 H ASP 31 20.999 29.494 -2.361 270 HA ASP 31 HA ASP 31 23.207 27.788 -2.914 271 HB2 ASP 31 HB2 ASP 31 22.386 29.589 -0.703 272 HB3 ASP 31 HB3 ASP 31 23.533 28.315 -0.297 273 H ASP 32 H ASP 32 20.484 27.590 -0.646 274 HA ASP 32 HA ASP 32 21.292 24.970 0.270 275 HB2 ASP 32 HB2 ASP 32 19.672 27.031 1.282 276 HB3 ASP 32 HB3 ASP 32 18.585 25.677 0.988 277 H VAL 33 H VAL 33 18.919 26.351 -1.920 278 HA VAL 33 HA VAL 33 17.399 23.997 -2.327 279 HB VAL 33 HB VAL 33 17.775 26.370 -4.160 280 HG11 VAL 33 HG11 VAL 33 16.947 24.526 -5.441 281 HG12 VAL 33 HG12 VAL 33 15.760 24.128 -4.197 282 HG13 VAL 33 HG13 VAL 33 15.599 25.619 -5.125 283 HG21 VAL 33 HG21 VAL 33 16.413 26.084 -1.674 284 HG22 VAL 33 HG22 VAL 33 16.501 27.494 -2.729 285 HG23 VAL 33 HG23 VAL 33 15.217 26.305 -2.951 286 H GLU 34 H GLU 34 20.029 25.481 -4.212 287 HA GLU 34 HA GLU 34 20.133 23.315 -6.084 288 HB2 GLU 34 HB2 GLU 34 20.904 25.841 -6.295 289 HB3 GLU 34 HB3 GLU 34 22.430 25.185 -5.718 290 HG2 GLU 34 HG2 GLU 34 22.767 23.931 -7.612 291 HG3 GLU 34 HG3 GLU 34 21.051 23.868 -8.006 292 H ALA 35 H ALA 35 21.164 23.639 -2.931 293 HA ALA 35 HA ALA 35 23.639 22.213 -3.076 294 HB1 ALA 35 HB1 ALA 35 22.696 21.908 -0.492 295 HB2 ALA 35 HB2 ALA 35 23.757 23.190 -1.078 296 HB3 ALA 35 HB3 ALA 35 22.013 23.447 -1.017 297 H ALA 36 H ALA 36 20.277 21.335 -2.729 298 HA ALA 36 HA ALA 36 20.880 18.593 -2.010 299 HB1 ALA 36 HB1 ALA 36 18.164 18.890 -2.783 300 HB2 ALA 36 HB2 ALA 36 18.832 18.667 -1.165 301 HB3 ALA 36 HB3 ALA 36 18.619 20.293 -1.815 302 HA PRO 37 HA PRO 37 20.900 16.793 -6.011 303 HB2 PRO 37 HB2 PRO 37 19.501 14.498 -5.634 304 HB3 PRO 37 HB3 PRO 37 21.128 14.748 -4.990 305 HG2 PRO 37 HG2 PRO 37 18.485 14.997 -3.607 306 HG3 PRO 37 HG3 PRO 37 19.986 14.255 -3.025 307 HD2 PRO 37 HD2 PRO 37 19.205 16.738 -2.280 308 HD3 PRO 37 HD3 PRO 37 20.913 16.284 -2.446 309 H GLU 38 H GLU 38 19.369 15.648 -7.654 310 HA GLU 38 HA GLU 38 17.406 17.463 -8.441 311 HB2 GLU 38 HB2 GLU 38 18.624 15.632 -9.803 312 HB3 GLU 38 HB3 GLU 38 17.336 14.570 -9.253 313 HG2 GLU 38 HG2 GLU 38 15.860 15.427 -10.684 314 HG3 GLU 38 HG3 GLU 38 16.365 17.084 -10.359 315 H GLU 39 H GLU 39 16.908 14.166 -7.166 316 HA GLU 39 HA GLU 39 14.167 14.193 -6.962 317 HB2 GLU 39 HB2 GLU 39 16.329 12.636 -5.865 318 HB3 GLU 39 HB3 GLU 39 15.071 12.855 -4.656 319 HG2 GLU 39 HG2 GLU 39 14.062 11.120 -5.599 320 HG3 GLU 39 HG3 GLU 39 13.647 12.216 -6.916 321 H THR 40 H THR 40 16.467 15.114 -4.399 322 HA THR 40 HA THR 40 14.594 15.927 -2.504 323 HB THR 40 HB THR 40 17.377 17.030 -2.939 324 HG1 THR 40 HG1 THR 40 16.805 14.626 -2.416 325 HG21 THR 40 HG21 THR 40 15.499 17.175 -0.582 326 HG22 THR 40 HG22 THR 40 16.183 18.518 -1.498 327 HG23 THR 40 HG23 THR 40 17.224 17.523 -0.481 328 H ARG 41 H ARG 41 16.281 17.858 -4.971 329 HA ARG 41 HA ARG 41 15.279 20.357 -4.352 330 HB2 ARG 41 HB2 ARG 41 16.398 19.065 -6.745 331 HB3 ARG 41 HB3 ARG 41 15.356 20.441 -7.084 332 HG2 ARG 41 HG2 ARG 41 16.752 21.933 -6.005 333 HG3 ARG 41 HG3 ARG 41 17.522 20.671 -5.041 334 HD2 ARG 41 HD2 ARG 41 19.172 20.637 -6.530 335 HD3 ARG 41 HD3 ARG 41 18.027 19.988 -7.703 336 HE ARG 41 HE ARG 41 19.060 22.676 -7.582 337 HH11 ARG 41 HH11 ARG 41 16.508 20.615 -8.748 338 HH12 ARG 41 HH12 ARG 41 16.061 21.680 -10.039 339 HH21 ARG 41 HH21 ARG 41 18.481 24.086 -9.278 340 HH22 ARG 41 HH22 ARG 41 17.185 23.654 -10.341 341 H ALA 42 H ALA 42 13.800 17.789 -6.276 342 HA ALA 42 HA ALA 42 11.560 19.279 -7.148 343 HB1 ALA 42 HB1 ALA 42 11.033 17.420 -8.267 344 HB2 ALA 42 HB2 ALA 42 12.570 16.785 -7.680 345 HB3 ALA 42 HB3 ALA 42 11.078 16.424 -6.812 346 H LEU 43 H LEU 43 11.929 16.933 -4.491 347 HA LEU 43 HA LEU 43 9.327 17.125 -3.492 348 HB2 LEU 43 HB2 LEU 43 11.771 16.655 -1.806 349 HB3 LEU 43 HB3 LEU 43 10.133 16.069 -1.527 350 HG LEU 43 HG LEU 43 11.404 15.152 -4.024 351 HD11 LEU 43 HD11 LEU 43 12.314 13.377 -2.033 352 HD12 LEU 43 HD12 LEU 43 12.840 14.994 -1.564 353 HD13 LEU 43 HD13 LEU 43 13.274 14.351 -3.148 354 HD21 LEU 43 HD21 LEU 43 9.292 14.255 -3.531 355 HD22 LEU 43 HD22 LEU 43 9.708 13.978 -1.840 356 HD23 LEU 43 HD23 LEU 43 10.435 12.982 -3.102 357 H TYR 44 H TYR 44 12.271 18.846 -2.470 358 HA TYR 44 HA TYR 44 11.130 20.388 -0.452 359 HB2 TYR 44 HB2 TYR 44 13.486 20.861 -2.268 360 HB3 TYR 44 HB3 TYR 44 13.031 22.020 -1.024 361 HD1 TYR 44 HD1 TYR 44 12.214 18.783 0.074 362 HD2 TYR 44 HD2 TYR 44 15.524 21.410 -0.419 363 HE1 TYR 44 HE1 TYR 44 13.481 17.489 1.739 364 HE2 TYR 44 HE2 TYR 44 16.801 20.123 1.243 365 HH TYR 44 HH TYR 44 16.869 18.126 2.369 366 H ARG 45 H ARG 45 11.675 21.264 -3.864 367 HA ARG 45 HA ARG 45 10.427 23.780 -3.729 368 HB2 ARG 45 HB2 ARG 45 11.159 21.906 -5.940 369 HB3 ARG 45 HB3 ARG 45 10.114 23.275 -6.298 370 HG2 ARG 45 HG2 ARG 45 12.509 23.949 -4.751 371 HG3 ARG 45 HG3 ARG 45 12.824 23.325 -6.372 372 HD2 ARG 45 HD2 ARG 45 10.838 25.049 -6.921 373 HD3 ARG 45 HD3 ARG 45 11.546 25.847 -5.517 374 HE ARG 45 HE ARG 45 13.644 25.192 -7.198 375 HH11 ARG 45 HH11 ARG 45 10.788 27.180 -7.305 376 HH12 ARG 45 HH12 ARG 45 11.473 28.331 -8.405 377 HH21 ARG 45 HH21 ARG 45 14.556 26.700 -8.646 378 HH22 ARG 45 HH22 ARG 45 13.616 28.057 -9.167 379 H GLU 46 H GLU 46 9.152 20.573 -3.986 380 HA GLU 46 HA GLU 46 6.615 21.236 -5.072 381 HB2 GLU 46 HB2 GLU 46 7.622 18.940 -5.034 382 HB3 GLU 46 HB3 GLU 46 7.301 18.883 -3.306 383 HG2 GLU 46 HG2 GLU 46 5.170 18.348 -3.618 384 HG3 GLU 46 HG3 GLU 46 4.947 19.605 -4.833 385 H TYR 47 H TYR 47 7.607 20.461 -1.735 386 HA TYR 47 HA TYR 47 5.103 21.177 -0.603 387 HB2 TYR 47 HB2 TYR 47 6.479 19.645 0.606 388 HB3 TYR 47 HB3 TYR 47 7.839 20.761 0.603 389 HD1 TYR 47 HD2 TYR 47 4.431 20.235 1.968 390 HD2 TYR 47 HD1 TYR 47 8.111 22.340 2.331 391 HE1 TYR 47 HE2 TYR 47 3.707 21.113 4.148 392 HE2 TYR 47 HE1 TYR 47 7.398 23.223 4.513 393 HH TYR 47 HH TYR 47 5.734 23.375 5.983 394 H ARG 48 H ARG 48 7.961 22.951 -1.439 395 HA ARG 48 HA ARG 48 7.443 25.219 0.222 396 HB2 ARG 48 HB2 ARG 48 9.378 24.492 -1.892 397 HB3 ARG 48 HB3 ARG 48 9.038 26.210 -1.730 398 HG2 ARG 48 HG2 ARG 48 9.973 24.398 0.487 399 HG3 ARG 48 HG3 ARG 48 10.983 25.527 -0.418 400 HD2 ARG 48 HD2 ARG 48 10.501 26.947 1.254 401 HD3 ARG 48 HD3 ARG 48 8.975 27.159 0.397 402 HE ARG 48 HE ARG 48 8.944 24.985 2.272 403 HH11 ARG 48 HH11 ARG 48 8.513 28.416 1.867 404 HH12 ARG 48 HH12 ARG 48 7.488 28.583 3.254 405 HH21 ARG 48 HH21 ARG 48 7.596 25.192 4.101 406 HH22 ARG 48 HH22 ARG 48 6.967 26.748 4.524 407 H THR 49 H THR 49 6.826 24.412 -3.168 408 HA THR 49 HA THR 49 5.693 26.954 -3.813 409 HB THR 49 HB THR 49 5.488 24.303 -5.253 410 HG1 THR 49 HG1 THR 49 7.609 25.189 -5.148 411 HG21 THR 49 HG21 THR 49 4.618 27.079 -6.028 412 HG22 THR 49 HG22 THR 49 3.662 25.597 -6.015 413 HG23 THR 49 HG23 THR 49 4.931 25.818 -7.219 414 H LEU 50 H LEU 50 4.414 23.846 -2.770 415 HA LEU 50 HA LEU 50 1.674 24.526 -3.194 416 HB2 LEU 50 HB2 LEU 50 3.185 22.296 -2.001 417 HB3 LEU 50 HB3 LEU 50 1.566 22.551 -1.353 418 HG LEU 50 HG LEU 50 1.690 20.857 -3.170 419 HD11 LEU 50 HD11 LEU 50 -0.357 22.205 -2.610 420 HD12 LEU 50 HD12 LEU 50 -0.306 21.548 -4.246 421 HD13 LEU 50 HD13 LEU 50 0.054 23.252 -3.969 422 HD21 LEU 50 HD21 LEU 50 3.338 22.657 -4.410 423 HD22 LEU 50 HD22 LEU 50 1.822 22.863 -5.288 424 HD23 LEU 50 HD23 LEU 50 2.572 21.269 -5.183 425 H LYS 51 H LYS 51 3.852 24.589 -0.413 426 HA LYS 51 HA LYS 51 1.852 25.376 1.461 427 HB2 LYS 51 HB2 LYS 51 4.056 24.250 2.001 428 HB3 LYS 51 HB3 LYS 51 4.831 25.802 1.710 429 HG2 LYS 51 HG2 LYS 51 2.570 25.690 3.636 430 HG3 LYS 51 HG3 LYS 51 4.138 25.045 4.128 431 HD2 LYS 51 HD2 LYS 51 5.065 27.089 4.271 432 HD3 LYS 51 HD3 LYS 51 4.264 27.660 2.806 433 HE2 LYS 51 HE2 LYS 51 2.297 27.272 4.829 434 HE3 LYS 51 HE3 LYS 51 3.617 28.224 5.507 435 HZ1 LYS 51 HZ1 LYS 51 2.229 28.860 2.961 436 HZ2 LYS 51 HZ2 LYS 51 3.392 29.807 3.742 437 HZ3 LYS 51 HZ3 LYS 51 1.873 29.580 4.449 438 H ARG 52 H ARG 52 4.285 27.108 -0.437 439 HA ARG 52 HA ARG 52 3.768 29.660 0.687 440 HB2 ARG 52 HB2 ARG 52 5.103 28.743 -1.849 441 HB3 ARG 52 HB3 ARG 52 4.886 30.451 -1.493 442 HG2 ARG 52 HG2 ARG 52 6.155 28.723 0.566 443 HG3 ARG 52 HG3 ARG 52 7.096 29.189 -0.853 444 HD2 ARG 52 HD2 ARG 52 5.691 31.080 1.032 445 HD3 ARG 52 HD3 ARG 52 7.422 30.747 1.012 446 HE ARG 52 HE ARG 52 6.911 31.569 -1.518 447 HH11 ARG 52 HH11 ARG 52 6.245 32.906 1.627 448 HH12 ARG 52 HH12 ARG 52 6.327 34.551 1.089 449 HH21 ARG 52 HH21 ARG 52 7.020 33.730 -2.239 450 HH22 ARG 52 HH22 ARG 52 6.767 35.019 -1.110 451 H THR 53 H THR 53 2.657 28.071 -2.289 452 HA THR 53 HA THR 53 1.084 30.232 -3.207 453 HB THR 53 HB THR 53 0.822 27.280 -3.811 454 HG1 THR 53 HG1 THR 53 2.828 28.524 -4.378 455 HG21 THR 53 HG21 THR 53 -1.238 28.315 -4.410 456 HG22 THR 53 HG22 THR 53 -0.308 28.137 -5.898 457 HG23 THR 53 HG23 THR 53 -0.410 29.708 -5.105 458 H THR 54 H THR 54 0.144 27.201 -1.580 459 HA THR 54 HA THR 54 -2.581 27.876 -1.306 460 HB THR 54 HB THR 54 -0.921 25.950 0.331 461 HG1 THR 54 HG1 THR 54 -2.721 25.377 -1.796 462 HG21 THR 54 HG21 THR 54 -3.065 24.909 0.914 463 HG22 THR 54 HG22 THR 54 -3.920 26.189 0.053 464 HG23 THR 54 HG23 THR 54 -2.979 26.572 1.495 465 H GLY 55 H GLY 55 -0.053 27.748 1.218 466 HA2 GLY 55 HA2 GLY 55 0.316 29.563 2.745 467 HA3 GLY 55 HA3 GLY 55 -1.355 30.051 2.507 468 H GLN 56 H GLN 56 -0.800 26.691 2.895 469 HA GLN 56 HA GLN 56 -1.163 26.736 5.772 470 HB2 GLN 56 HB2 GLN 56 -3.404 26.585 4.083 471 HB3 GLN 56 HB3 GLN 56 -3.142 24.950 4.673 472 HG2 GLN 56 HG2 GLN 56 -3.994 25.461 6.646 473 HG3 GLN 56 HG3 GLN 56 -2.886 26.820 6.829 474 HE21 GLN 56 HE21 GLN 56 -3.742 28.771 6.896 475 HE22 GLN 56 HE22 GLN 56 -5.329 29.202 6.365 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.433 -3.143 1.183 2 HA2 GLY 1 HA2 GLY 1 5.443 -2.369 -0.639 3 HA3 GLY 1 HA3 GLY 1 3.727 -2.496 -0.999 4 H SER 2 H SER 2 5.984 -0.474 -1.564 5 HA SER 2 HA SER 2 6.205 1.778 -1.811 6 HB2 SER 2 HB2 SER 2 3.268 2.154 -1.384 7 HB3 SER 2 HB3 SER 2 4.331 2.900 -2.578 8 HG SER 2 HG SER 2 2.987 0.475 -2.657 9 H MET 3 H MET 3 6.358 0.660 0.874 10 HA MET 3 HA MET 3 5.238 2.767 2.557 11 HB2 MET 3 HB2 MET 3 5.996 1.385 4.440 12 HB3 MET 3 HB3 MET 3 4.984 0.468 3.333 13 HG2 MET 3 HG2 MET 3 6.591 -1.072 3.497 14 HG3 MET 3 HG3 MET 3 7.438 -0.059 2.330 15 HE1 MET 3 HE1 MET 3 7.458 -1.980 5.087 16 HE2 MET 3 HE2 MET 3 9.219 -1.978 5.175 17 HE3 MET 3 HE3 MET 3 8.271 -1.225 6.458 18 H GLU 4 H GLU 4 8.341 1.464 1.510 19 HA GLU 4 HA GLU 4 10.014 2.962 3.178 20 HB2 GLU 4 HB2 GLU 4 11.750 2.585 1.430 21 HB3 GLU 4 HB3 GLU 4 10.904 1.121 1.913 22 HG2 GLU 4 HG2 GLU 4 9.392 1.607 -0.125 23 HG3 GLU 4 HG3 GLU 4 10.712 2.655 -0.643 24 H ARG 5 H ARG 5 8.637 3.718 0.007 25 HA ARG 5 HA ARG 5 9.987 6.185 -0.327 26 HB2 ARG 5 HB2 ARG 5 8.825 4.801 -2.118 27 HB3 ARG 5 HB3 ARG 5 7.312 5.469 -1.520 28 HG2 ARG 5 HG2 ARG 5 7.957 6.765 -3.391 29 HG3 ARG 5 HG3 ARG 5 8.256 7.749 -1.957 30 HD2 ARG 5 HD2 ARG 5 10.132 7.988 -3.415 31 HD3 ARG 5 HD3 ARG 5 10.637 7.009 -2.038 32 HE ARG 5 HE ARG 5 9.777 5.319 -4.114 33 HH11 ARG 5 HH11 ARG 5 12.384 7.480 -3.305 34 HH12 ARG 5 HH12 ARG 5 13.551 6.643 -4.274 35 HH21 ARG 5 HH21 ARG 5 11.305 4.209 -5.393 36 HH22 ARG 5 HH22 ARG 5 12.936 4.784 -5.462 37 H LEU 6 H LEU 6 6.798 5.338 0.964 38 HA LEU 6 HA LEU 6 5.863 7.956 1.362 39 HB2 LEU 6 HB2 LEU 6 5.026 5.295 1.983 40 HB3 LEU 6 HB3 LEU 6 4.823 6.311 3.409 41 HG LEU 6 HG LEU 6 3.677 6.966 0.698 42 HD11 LEU 6 HD11 LEU 6 1.875 6.151 2.866 43 HD12 LEU 6 HD12 LEU 6 2.880 4.861 2.207 44 HD13 LEU 6 HD13 LEU 6 1.822 5.785 1.141 45 HD21 LEU 6 HD21 LEU 6 4.139 8.653 2.742 46 HD22 LEU 6 HD22 LEU 6 2.549 8.043 3.201 47 HD23 LEU 6 HD23 LEU 6 2.778 8.813 1.631 48 H ARG 7 H ARG 7 7.384 5.702 3.667 49 HA ARG 7 HA ARG 7 7.481 7.506 5.823 50 HB2 ARG 7 HB2 ARG 7 7.797 4.983 5.886 51 HB3 ARG 7 HB3 ARG 7 9.444 5.268 5.341 52 HG2 ARG 7 HG2 ARG 7 9.015 6.972 7.540 53 HG3 ARG 7 HG3 ARG 7 8.374 5.388 7.981 54 HD2 ARG 7 HD2 ARG 7 10.639 4.553 6.928 55 HD3 ARG 7 HD3 ARG 7 11.160 6.196 7.303 56 HE ARG 7 HE ARG 7 10.006 5.293 9.609 57 HH11 ARG 7 HH11 ARG 7 12.576 4.192 7.535 58 HH12 ARG 7 HH12 ARG 7 13.464 3.437 8.817 59 HH21 ARG 7 HH21 ARG 7 11.166 4.303 11.306 60 HH22 ARG 7 HH22 ARG 7 12.660 3.500 10.961 61 H ASP 8 H ASP 8 9.782 6.792 3.241 62 HA ASP 8 HA ASP 8 11.916 8.344 4.238 63 HB2 ASP 8 HB2 ASP 8 12.363 6.716 2.536 64 HB3 ASP 8 HB3 ASP 8 11.211 7.466 1.436 65 H VAL 9 H VAL 9 9.537 9.092 1.687 66 HA VAL 9 HA VAL 9 10.328 11.758 1.309 67 HB VAL 9 HB VAL 9 7.611 10.518 0.849 68 HG11 VAL 9 HG11 VAL 9 7.048 12.700 0.634 69 HG12 VAL 9 HG12 VAL 9 8.710 13.213 0.334 70 HG13 VAL 9 HG13 VAL 9 7.762 12.485 -0.964 71 HG21 VAL 9 HG21 VAL 9 9.339 11.091 -1.442 72 HG22 VAL 9 HG22 VAL 9 9.971 9.853 -0.356 73 HG23 VAL 9 HG23 VAL 9 8.374 9.660 -1.078 74 H ARG 10 H ARG 10 7.593 10.446 3.184 75 HA ARG 10 HA ARG 10 6.600 12.816 4.198 76 HB2 ARG 10 HB2 ARG 10 5.474 10.657 4.471 77 HB3 ARG 10 HB3 ARG 10 6.736 10.128 5.576 78 HG2 ARG 10 HG2 ARG 10 6.094 11.994 7.095 79 HG3 ARG 10 HG3 ARG 10 4.736 12.332 6.019 80 HD2 ARG 10 HD2 ARG 10 3.531 10.693 6.919 81 HD3 ARG 10 HD3 ARG 10 4.837 9.532 6.684 82 HE ARG 10 HE ARG 10 5.327 9.727 8.901 83 HH11 ARG 10 HH11 ARG 10 3.513 12.530 7.916 84 HH12 ARG 10 HH12 ARG 10 3.393 13.177 9.519 85 HH21 ARG 10 HH21 ARG 10 5.177 10.569 11.016 86 HH22 ARG 10 HH22 ARG 10 4.341 12.061 11.281 87 H GLU 11 H GLU 11 9.103 10.717 5.606 88 HA GLU 11 HA GLU 11 9.580 12.333 7.875 89 HB2 GLU 11 HB2 GLU 11 10.246 9.905 7.548 90 HB3 GLU 11 HB3 GLU 11 11.583 10.494 6.569 91 HG2 GLU 11 HG2 GLU 11 11.578 11.926 9.021 92 HG3 GLU 11 HG3 GLU 11 11.443 10.205 9.377 93 H ARG 12 H ARG 12 11.114 12.166 4.689 94 HA ARG 12 HA ARG 12 13.210 13.957 5.169 95 HB2 ARG 12 HB2 ARG 12 11.758 13.056 2.709 96 HB3 ARG 12 HB3 ARG 12 12.922 14.370 2.597 97 HG2 ARG 12 HG2 ARG 12 13.651 11.757 3.865 98 HG3 ARG 12 HG3 ARG 12 13.723 11.986 2.117 99 HD2 ARG 12 HD2 ARG 12 15.842 12.622 2.610 100 HD3 ARG 12 HD3 ARG 12 15.047 14.173 2.876 101 HE ARG 12 HE ARG 12 15.540 13.995 5.101 102 HH11 ARG 12 HH11 ARG 12 15.852 10.860 3.620 103 HH12 ARG 12 HH12 ARG 12 16.519 10.114 5.035 104 HH21 ARG 12 HH21 ARG 12 16.417 13.024 6.969 105 HH22 ARG 12 HH22 ARG 12 16.839 11.346 6.939 106 H LEU 13 H LEU 13 9.932 14.532 3.932 107 HA LEU 13 HA LEU 13 10.229 17.307 3.534 108 HB2 LEU 13 HB2 LEU 13 8.260 15.418 3.091 109 HB3 LEU 13 HB3 LEU 13 7.545 16.489 4.293 110 HG LEU 13 HG LEU 13 8.653 17.367 1.627 111 HD11 LEU 13 HD11 LEU 13 5.762 17.357 2.400 112 HD12 LEU 13 HD12 LEU 13 6.515 15.927 1.695 113 HD13 LEU 13 HD13 LEU 13 6.489 17.443 0.795 114 HD21 LEU 13 HD21 LEU 13 8.540 18.919 3.760 115 HD22 LEU 13 HD22 LEU 13 6.838 19.018 3.308 116 HD23 LEU 13 HD23 LEU 13 8.086 19.513 2.163 117 H GLN 14 H GLN 14 8.813 15.475 6.237 118 HA GLN 14 HA GLN 14 8.049 17.578 7.853 119 HB2 GLN 14 HB2 GLN 14 9.176 14.890 8.649 120 HB3 GLN 14 HB3 GLN 14 8.395 16.003 9.764 121 HG2 GLN 14 HG2 GLN 14 6.806 15.408 7.389 122 HG3 GLN 14 HG3 GLN 14 7.156 14.001 8.391 123 HE21 GLN 14 HE21 GLN 14 4.661 15.542 7.863 124 HE22 GLN 14 HE22 GLN 14 4.053 15.952 9.428 125 H ALA 15 H ALA 15 11.095 15.759 8.247 126 HA ALA 15 HA ALA 15 12.300 17.494 10.047 127 HB1 ALA 15 HB1 ALA 15 13.298 15.437 8.150 128 HB2 ALA 15 HB2 ALA 15 14.472 16.529 8.886 129 HB3 ALA 15 HB3 ALA 15 13.442 15.525 9.906 130 H TRP 16 H TRP 16 12.349 17.532 6.510 131 HA TRP 16 HA TRP 16 14.252 19.485 6.064 132 HB2 TRP 16 HB2 TRP 16 13.350 18.317 4.193 133 HB3 TRP 16 HB3 TRP 16 11.711 18.839 4.570 134 HD1 TRP 16 HD1 TRP 16 10.934 20.520 2.818 135 HE1 TRP 16 HE1 TRP 16 11.992 22.489 1.542 136 HE3 TRP 16 HE3 TRP 16 15.694 20.221 4.661 137 HZ2 TRP 16 HZ2 TRP 16 14.510 23.749 1.342 138 HZ3 TRP 16 HZ3 TRP 16 17.367 21.845 3.876 139 HH2 TRP 16 HH2 TRP 16 16.785 23.572 2.250 140 H GLU 17 H GLU 17 10.794 20.240 5.741 141 HA GLU 17 HA GLU 17 11.015 22.974 6.000 142 HB2 GLU 17 HB2 GLU 17 8.673 23.039 6.343 143 HB3 GLU 17 HB3 GLU 17 8.971 21.632 5.331 144 HG2 GLU 17 HG2 GLU 17 7.583 20.650 6.801 145 HG3 GLU 17 HG3 GLU 17 9.068 20.461 7.731 146 H ARG 18 H ARG 18 10.962 20.532 8.495 147 HA ARG 18 HA ARG 18 10.362 22.088 10.724 148 HB2 ARG 18 HB2 ARG 18 11.645 19.502 10.217 149 HB3 ARG 18 HB3 ARG 18 12.208 20.292 11.683 150 HG2 ARG 18 HG2 ARG 18 9.319 19.763 11.024 151 HG3 ARG 18 HG3 ARG 18 10.323 18.749 12.063 152 HD2 ARG 18 HD2 ARG 18 10.723 20.779 13.486 153 HD3 ARG 18 HD3 ARG 18 9.503 21.610 12.522 154 HE ARG 18 HE ARG 18 8.533 19.148 13.585 155 HH11 ARG 18 HH11 ARG 18 9.174 22.480 14.365 156 HH12 ARG 18 HH12 ARG 18 7.986 22.549 15.625 157 HH21 ARG 18 HH21 ARG 18 6.967 19.226 15.241 158 HH22 ARG 18 HH22 ARG 18 6.732 20.697 16.123 159 H ALA 19 H ALA 19 13.664 20.941 10.081 160 HA ALA 19 HA ALA 19 14.885 22.974 11.597 161 HB1 ALA 19 HB1 ALA 19 16.524 21.488 11.412 162 HB2 ALA 19 HB2 ALA 19 15.725 20.697 10.052 163 HB3 ALA 19 HB3 ALA 19 16.794 22.070 9.769 164 H PHE 20 H PHE 20 13.893 22.811 8.268 165 HA PHE 20 HA PHE 20 15.488 24.812 7.156 166 HB2 PHE 20 HB2 PHE 20 14.244 23.550 5.622 167 HB3 PHE 20 HB3 PHE 20 12.742 23.778 6.512 168 HD1 PHE 20 HD2 PHE 20 15.327 25.971 4.941 169 HD2 PHE 20 HD1 PHE 20 11.196 25.080 5.450 170 HE1 PHE 20 HE2 PHE 20 14.743 27.850 3.464 171 HE2 PHE 20 HE1 PHE 20 10.606 26.958 3.973 172 HZ PHE 20 HZ PHE 20 12.380 28.347 2.979 173 H ARG 21 H ARG 21 12.055 25.246 8.007 174 HA ARG 21 HA ARG 21 12.197 28.056 8.054 175 HB2 ARG 21 HB2 ARG 21 9.969 28.025 8.803 176 HB3 ARG 21 HB3 ARG 21 10.128 26.567 7.833 177 HG2 ARG 21 HG2 ARG 21 10.558 25.332 9.997 178 HG3 ARG 21 HG3 ARG 21 10.036 26.802 10.823 179 HD2 ARG 21 HD2 ARG 21 8.287 25.722 8.682 180 HD3 ARG 21 HD3 ARG 21 8.352 24.841 10.208 181 HE ARG 21 HE ARG 21 7.954 27.481 10.880 182 HH11 ARG 21 HH11 ARG 21 6.292 25.069 8.999 183 HH12 ARG 21 HH12 ARG 21 4.718 25.723 9.310 184 HH21 ARG 21 HH21 ARG 21 5.887 28.352 11.297 185 HH22 ARG 21 HH22 ARG 21 4.489 27.591 10.617 186 H ARG 22 H ARG 22 13.201 25.721 10.318 187 HA ARG 22 HA ARG 22 12.897 27.326 12.675 188 HB2 ARG 22 HB2 ARG 22 14.057 24.685 12.004 189 HB3 ARG 22 HB3 ARG 22 14.740 25.499 13.405 190 HG2 ARG 22 HG2 ARG 22 11.790 25.051 13.049 191 HG3 ARG 22 HG3 ARG 22 12.854 23.905 13.867 192 HD2 ARG 22 HD2 ARG 22 13.001 26.730 14.738 193 HD3 ARG 22 HD3 ARG 22 11.533 25.844 15.151 194 HE ARG 22 HE ARG 22 14.141 25.490 16.284 195 HH11 ARG 22 HH11 ARG 22 11.114 23.921 15.578 196 HH12 ARG 22 HH12 ARG 22 11.286 22.738 16.831 197 HH21 ARG 22 HH21 ARG 22 14.378 23.937 17.937 198 HH22 ARG 22 HH22 ARG 22 13.142 22.748 18.173 199 H GLN 23 H GLN 23 15.490 26.644 10.389 200 HA GLN 23 HA GLN 23 17.309 28.386 11.872 201 HB2 GLN 23 HB2 GLN 23 18.648 26.672 11.241 202 HB3 GLN 23 HB3 GLN 23 17.614 26.227 9.890 203 HG2 GLN 23 HG2 GLN 23 19.803 26.949 9.129 204 HG3 GLN 23 HG3 GLN 23 18.538 28.038 8.562 205 HE21 GLN 23 HE21 GLN 23 19.408 29.985 8.451 206 HE22 GLN 23 HE22 GLN 23 20.325 30.756 9.696 207 H ARG 24 H ARG 24 16.012 28.025 8.577 208 HA ARG 24 HA ARG 24 17.079 30.468 7.619 209 HB2 ARG 24 HB2 ARG 24 14.920 28.616 6.646 210 HB3 ARG 24 HB3 ARG 24 15.244 30.139 5.828 211 HG2 ARG 24 HG2 ARG 24 17.512 28.287 6.355 212 HG3 ARG 24 HG3 ARG 24 16.384 27.913 5.050 213 HD2 ARG 24 HD2 ARG 24 16.843 29.986 3.962 214 HD3 ARG 24 HD3 ARG 24 17.767 30.572 5.345 215 HE ARG 24 HE ARG 24 18.696 28.850 3.248 216 HH11 ARG 24 HH11 ARG 24 19.142 29.789 6.570 217 HH12 ARG 24 HH12 ARG 24 20.804 29.300 6.622 218 HH21 ARG 24 HH21 ARG 24 20.883 28.202 3.303 219 HH22 ARG 24 HH22 ARG 24 21.793 28.399 4.762 220 H GLY 25 H GLY 25 13.786 29.567 8.649 221 HA2 GLY 25 HA2 GLY 25 12.139 30.849 9.624 222 HA3 GLY 25 HA3 GLY 25 13.329 32.125 9.831 223 H ARG 26 H ARG 26 12.566 30.702 6.724 224 HA ARG 26 HA ARG 26 10.563 32.411 5.853 225 HB2 ARG 26 HB2 ARG 26 12.968 33.813 6.211 226 HB3 ARG 26 HB3 ARG 26 12.822 33.571 4.476 227 HG2 ARG 26 HG2 ARG 26 10.809 34.754 4.362 228 HG3 ARG 26 HG3 ARG 26 10.549 34.649 6.104 229 HD2 ARG 26 HD2 ARG 26 11.728 36.504 6.481 230 HD3 ARG 26 HD3 ARG 26 13.055 35.953 5.459 231 HE ARG 26 HE ARG 26 10.921 36.792 3.834 232 HH11 ARG 26 HH11 ARG 26 13.332 38.085 5.986 233 HH12 ARG 26 HH12 ARG 26 13.407 39.622 5.190 234 HH21 ARG 26 HH21 ARG 26 11.010 38.812 2.777 235 HH22 ARG 26 HH22 ARG 26 12.085 40.034 3.365 236 H ARG 27 H ARG 27 11.161 32.889 3.239 237 HA ARG 27 HA ARG 27 10.839 30.403 2.031 238 HB2 ARG 27 HB2 ARG 27 11.086 33.149 1.182 239 HB3 ARG 27 HB3 ARG 27 11.960 32.091 0.083 240 HG2 ARG 27 HG2 ARG 27 10.084 31.280 -0.801 241 HG3 ARG 27 HG3 ARG 27 9.324 31.076 0.779 242 HD2 ARG 27 HD2 ARG 27 8.125 32.677 -0.672 243 HD3 ARG 27 HD3 ARG 27 8.699 33.402 0.830 244 HE ARG 27 HE ARG 27 10.641 33.818 -1.133 245 HH11 ARG 27 HH11 ARG 27 7.373 34.775 -0.409 246 HH12 ARG 27 HH12 ARG 27 7.504 36.304 -1.213 247 HH21 ARG 27 HH21 ARG 27 10.826 35.828 -2.195 248 HH22 ARG 27 HH22 ARG 27 9.468 36.902 -2.230 249 HA PRO 28 HA PRO 28 14.847 28.665 1.615 250 HB2 PRO 28 HB2 PRO 28 14.631 27.399 -0.776 251 HB3 PRO 28 HB3 PRO 28 13.825 26.828 0.689 252 HG2 PRO 28 HG2 PRO 28 12.713 28.428 -1.583 253 HG3 PRO 28 HG3 PRO 28 11.990 27.058 -0.719 254 HD2 PRO 28 HD2 PRO 28 11.306 29.628 -0.209 255 HD3 PRO 28 HD3 PRO 28 11.303 28.372 1.046 256 H SER 29 H SER 29 16.666 28.397 -0.081 257 HA SER 29 HA SER 29 16.824 30.711 -1.872 258 HB2 SER 29 HB2 SER 29 17.985 30.873 0.560 259 HB3 SER 29 HB3 SER 29 19.291 30.106 -0.343 260 HG SER 29 HG SER 29 19.532 31.865 -1.529 261 H GLN 30 H GLN 30 18.475 30.528 -3.506 262 HA GLN 30 HA GLN 30 18.586 28.029 -4.729 263 HB2 GLN 30 HB2 GLN 30 19.236 30.585 -5.462 264 HB3 GLN 30 HB3 GLN 30 20.819 29.822 -5.386 265 HG2 GLN 30 HG2 GLN 30 20.090 29.588 -7.604 266 HG3 GLN 30 HG3 GLN 30 19.882 28.005 -6.857 267 HE21 GLN 30 HE21 GLN 30 18.374 27.481 -8.486 268 HE22 GLN 30 HE22 GLN 30 16.756 28.084 -8.431 269 H ASP 31 H ASP 31 20.506 29.340 -2.207 270 HA ASP 31 HA ASP 31 22.837 27.749 -2.610 271 HB2 ASP 31 HB2 ASP 31 22.204 29.887 -1.004 272 HB3 ASP 31 HB3 ASP 31 22.276 28.561 0.154 273 H ASP 32 H ASP 32 19.994 27.449 -0.505 274 HA ASP 32 HA ASP 32 20.867 24.882 0.495 275 HB2 ASP 32 HB2 ASP 32 19.081 26.877 1.368 276 HB3 ASP 32 HB3 ASP 32 18.095 25.452 1.049 277 H VAL 33 H VAL 33 18.704 26.114 -1.947 278 HA VAL 33 HA VAL 33 17.276 23.685 -2.383 279 HB VAL 33 HB VAL 33 17.653 26.055 -4.219 280 HG11 VAL 33 HG11 VAL 33 15.998 23.576 -4.415 281 HG12 VAL 33 HG12 VAL 33 15.409 25.084 -5.119 282 HG13 VAL 33 HG13 VAL 33 16.942 24.397 -5.658 283 HG21 VAL 33 HG21 VAL 33 16.139 27.131 -2.999 284 HG22 VAL 33 HG22 VAL 33 15.029 25.764 -3.085 285 HG23 VAL 33 HG23 VAL 33 16.241 25.835 -1.807 286 H GLU 34 H GLU 34 20.004 25.257 -4.030 287 HA GLU 34 HA GLU 34 20.323 23.130 -5.922 288 HB2 GLU 34 HB2 GLU 34 21.016 25.610 -6.158 289 HB3 GLU 34 HB3 GLU 34 22.446 25.147 -5.248 290 HG2 GLU 34 HG2 GLU 34 23.398 24.242 -7.032 291 HG3 GLU 34 HG3 GLU 34 21.948 23.322 -7.429 292 H ALA 35 H ALA 35 21.115 23.475 -2.681 293 HA ALA 35 HA ALA 35 23.590 22.042 -2.651 294 HB1 ALA 35 HB1 ALA 35 21.754 23.188 -0.667 295 HB2 ALA 35 HB2 ALA 35 22.635 21.757 -0.129 296 HB3 ALA 35 HB3 ALA 35 23.517 23.169 -0.709 297 H ALA 36 H ALA 36 20.204 21.181 -2.456 298 HA ALA 36 HA ALA 36 20.771 18.437 -1.711 299 HB1 ALA 36 HB1 ALA 36 18.510 20.146 -1.602 300 HB2 ALA 36 HB2 ALA 36 18.085 18.741 -2.580 301 HB3 ALA 36 HB3 ALA 36 18.695 18.522 -0.939 302 HA PRO 37 HA PRO 37 20.925 16.630 -5.706 303 HB2 PRO 37 HB2 PRO 37 19.495 14.345 -5.380 304 HB3 PRO 37 HB3 PRO 37 21.098 14.584 -4.674 305 HG2 PRO 37 HG2 PRO 37 18.406 14.855 -3.394 306 HG3 PRO 37 HG3 PRO 37 19.878 14.102 -2.754 307 HD2 PRO 37 HD2 PRO 37 19.088 16.592 -2.042 308 HD3 PRO 37 HD3 PRO 37 20.798 16.125 -2.142 309 H GLU 38 H GLU 38 19.315 15.293 -7.273 310 HA GLU 38 HA GLU 38 17.436 17.187 -8.192 311 HB2 GLU 38 HB2 GLU 38 18.692 15.296 -9.470 312 HB3 GLU 38 HB3 GLU 38 17.333 14.294 -8.980 313 HG2 GLU 38 HG2 GLU 38 15.800 15.582 -10.208 314 HG3 GLU 38 HG3 GLU 38 16.956 16.896 -10.422 315 H GLU 39 H GLU 39 16.835 13.874 -7.002 316 HA GLU 39 HA GLU 39 14.102 13.957 -6.836 317 HB2 GLU 39 HB2 GLU 39 14.350 12.315 -4.925 318 HB3 GLU 39 HB3 GLU 39 15.189 11.894 -6.412 319 HG2 GLU 39 HG2 GLU 39 17.266 12.865 -5.408 320 HG3 GLU 39 HG3 GLU 39 16.382 13.010 -3.890 321 H THR 40 H THR 40 16.399 14.926 -4.298 322 HA THR 40 HA THR 40 14.494 15.705 -2.393 323 HB THR 40 HB THR 40 17.302 16.755 -2.795 324 HG1 THR 40 HG1 THR 40 17.581 15.227 -0.932 325 HG21 THR 40 HG21 THR 40 16.206 18.317 -1.399 326 HG22 THR 40 HG22 THR 40 17.084 17.246 -0.307 327 HG23 THR 40 HG23 THR 40 15.345 17.050 -0.526 328 H ARG 41 H ARG 41 16.200 17.608 -4.863 329 HA ARG 41 HA ARG 41 15.196 20.119 -4.229 330 HB2 ARG 41 HB2 ARG 41 16.386 18.849 -6.606 331 HB3 ARG 41 HB3 ARG 41 15.375 20.247 -6.946 332 HG2 ARG 41 HG2 ARG 41 16.749 21.689 -5.750 333 HG3 ARG 41 HG3 ARG 41 17.509 20.373 -4.853 334 HD2 ARG 41 HD2 ARG 41 19.165 20.412 -6.334 335 HD3 ARG 41 HD3 ARG 41 18.023 19.832 -7.545 336 HE ARG 41 HE ARG 41 19.066 22.505 -7.277 337 HH11 ARG 41 HH11 ARG 41 16.509 20.521 -8.560 338 HH12 ARG 41 HH12 ARG 41 16.072 21.656 -9.795 339 HH21 ARG 41 HH21 ARG 41 18.500 24.007 -8.897 340 HH22 ARG 41 HH22 ARG 41 17.205 23.638 -9.986 341 H ALA 42 H ALA 42 13.763 17.524 -6.130 342 HA ALA 42 HA ALA 42 11.566 19.019 -7.120 343 HB1 ALA 42 HB1 ALA 42 12.575 16.437 -7.464 344 HB2 ALA 42 HB2 ALA 42 10.947 16.224 -6.820 345 HB3 ALA 42 HB3 ALA 42 11.198 17.167 -8.289 346 H LEU 43 H LEU 43 11.855 16.728 -4.406 347 HA LEU 43 HA LEU 43 9.207 16.977 -3.503 348 HB2 LEU 43 HB2 LEU 43 11.579 16.404 -1.748 349 HB3 LEU 43 HB3 LEU 43 9.914 15.872 -1.530 350 HG LEU 43 HG LEU 43 11.268 14.941 -3.986 351 HD11 LEU 43 HD11 LEU 43 12.840 13.625 -3.059 352 HD12 LEU 43 HD12 LEU 43 11.895 13.337 -1.599 353 HD13 LEU 43 HD13 LEU 43 12.807 14.835 -1.777 354 HD21 LEU 43 HD21 LEU 43 10.053 12.911 -3.474 355 HD22 LEU 43 HD22 LEU 43 8.972 14.301 -3.372 356 HD23 LEU 43 HD23 LEU 43 9.590 13.554 -1.898 357 H TYR 44 H TYR 44 12.170 18.680 -2.553 358 HA TYR 44 HA TYR 44 11.068 20.211 -0.482 359 HB2 TYR 44 HB2 TYR 44 13.436 20.608 -2.293 360 HB3 TYR 44 HB3 TYR 44 12.997 21.819 -1.095 361 HD1 TYR 44 HD2 TYR 44 12.132 18.591 0.052 362 HD2 TYR 44 HD1 TYR 44 15.442 21.227 -0.392 363 HE1 TYR 44 HE2 TYR 44 13.359 17.332 1.772 364 HE2 TYR 44 HE1 TYR 44 16.679 19.974 1.326 365 HH TYR 44 HH TYR 44 16.667 18.234 2.702 366 H ARG 45 H ARG 45 11.694 21.156 -3.865 367 HA ARG 45 HA ARG 45 10.409 23.656 -3.690 368 HB2 ARG 45 HB2 ARG 45 11.278 21.881 -5.933 369 HB3 ARG 45 HB3 ARG 45 10.229 23.247 -6.289 370 HG2 ARG 45 HG2 ARG 45 11.887 24.733 -5.188 371 HG3 ARG 45 HG3 ARG 45 12.955 23.338 -5.020 372 HD2 ARG 45 HD2 ARG 45 13.685 24.397 -6.973 373 HD3 ARG 45 HD3 ARG 45 12.690 23.059 -7.546 374 HE ARG 45 HE ARG 45 11.208 25.488 -7.258 375 HH11 ARG 45 HH11 ARG 45 13.353 23.718 -9.352 376 HH12 ARG 45 HH12 ARG 45 12.796 24.496 -10.797 377 HH21 ARG 45 HH21 ARG 45 10.467 26.520 -9.152 378 HH22 ARG 45 HH22 ARG 45 11.155 26.091 -10.681 379 H GLU 46 H GLU 46 9.200 20.445 -4.112 380 HA GLU 46 HA GLU 46 6.717 21.084 -5.317 381 HB2 GLU 46 HB2 GLU 46 7.535 18.820 -5.401 382 HB3 GLU 46 HB3 GLU 46 7.583 18.722 -3.646 383 HG2 GLU 46 HG2 GLU 46 5.414 18.217 -3.491 384 HG3 GLU 46 HG3 GLU 46 4.951 19.385 -4.727 385 H TYR 47 H TYR 47 7.422 20.144 -1.947 386 HA TYR 47 HA TYR 47 4.873 20.944 -0.991 387 HB2 TYR 47 HB2 TYR 47 6.580 19.284 0.044 388 HB3 TYR 47 HB3 TYR 47 7.302 20.719 0.764 389 HD1 TYR 47 HD2 TYR 47 4.255 18.639 0.640 390 HD2 TYR 47 HD1 TYR 47 6.279 21.817 2.616 391 HE1 TYR 47 HE2 TYR 47 2.614 18.539 2.469 392 HE2 TYR 47 HE1 TYR 47 4.645 21.725 4.451 393 HH TYR 47 HH TYR 47 1.750 19.853 4.241 394 H ARG 48 H ARG 48 7.877 22.596 -1.487 395 HA ARG 48 HA ARG 48 7.361 24.794 0.257 396 HB2 ARG 48 HB2 ARG 48 9.636 24.296 -0.368 397 HB3 ARG 48 HB3 ARG 48 9.252 24.475 -2.075 398 HG2 ARG 48 HG2 ARG 48 8.526 26.882 -0.771 399 HG3 ARG 48 HG3 ARG 48 10.149 26.440 -0.240 400 HD2 ARG 48 HD2 ARG 48 11.006 26.500 -2.403 401 HD3 ARG 48 HD3 ARG 48 9.412 26.347 -3.140 402 HE ARG 48 HE ARG 48 9.531 28.752 -1.694 403 HH11 ARG 48 HH11 ARG 48 10.836 27.275 -4.564 404 HH12 ARG 48 HH12 ARG 48 11.041 28.778 -5.401 405 HH21 ARG 48 HH21 ARG 48 9.796 30.737 -2.786 406 HH22 ARG 48 HH22 ARG 48 10.449 30.746 -4.389 407 H THR 49 H THR 49 6.897 24.204 -3.198 408 HA THR 49 HA THR 49 5.946 26.837 -3.767 409 HB THR 49 HB THR 49 5.674 24.276 -5.350 410 HG1 THR 49 HG1 THR 49 7.576 24.798 -6.159 411 HG21 THR 49 HG21 THR 49 5.004 27.131 -6.038 412 HG22 THR 49 HG22 THR 49 3.955 25.716 -6.119 413 HG23 THR 49 HG23 THR 49 5.285 25.894 -7.263 414 H LEU 50 H LEU 50 4.404 23.721 -3.114 415 HA LEU 50 HA LEU 50 1.750 24.595 -3.594 416 HB2 LEU 50 HB2 LEU 50 3.082 22.209 -2.621 417 HB3 LEU 50 HB3 LEU 50 1.580 22.527 -1.755 418 HG LEU 50 HG LEU 50 1.350 20.976 -3.691 419 HD11 LEU 50 HD11 LEU 50 -0.466 22.519 -2.751 420 HD12 LEU 50 HD12 LEU 50 -0.727 21.808 -4.344 421 HD13 LEU 50 HD13 LEU 50 -0.205 23.487 -4.203 422 HD21 LEU 50 HD21 LEU 50 2.956 21.973 -5.200 423 HD22 LEU 50 HD22 LEU 50 2.007 23.458 -5.275 424 HD23 LEU 50 HD23 LEU 50 1.360 21.962 -5.950 425 H LYS 51 H LYS 51 3.734 24.362 -0.674 426 HA LYS 51 HA LYS 51 1.677 25.176 1.114 427 HB2 LYS 51 HB2 LYS 51 3.559 23.936 1.964 428 HB3 LYS 51 HB3 LYS 51 4.686 25.152 1.380 429 HG2 LYS 51 HG2 LYS 51 3.716 26.773 2.961 430 HG3 LYS 51 HG3 LYS 51 2.660 25.500 3.580 431 HD2 LYS 51 HD2 LYS 51 4.306 25.133 5.061 432 HD3 LYS 51 HD3 LYS 51 5.116 24.314 3.723 433 HE2 LYS 51 HE2 LYS 51 5.952 26.742 3.169 434 HE3 LYS 51 HE3 LYS 51 5.602 27.022 4.874 435 HZ1 LYS 51 HZ1 LYS 51 7.584 26.156 5.296 436 HZ2 LYS 51 HZ2 LYS 51 7.795 25.653 3.695 437 HZ3 LYS 51 HZ3 LYS 51 6.991 24.653 4.796 438 H ARG 52 H ARG 52 4.338 26.881 -0.493 439 HA ARG 52 HA ARG 52 3.902 29.389 0.713 440 HB2 ARG 52 HB2 ARG 52 5.263 28.502 -1.812 441 HB3 ARG 52 HB3 ARG 52 5.079 30.213 -1.451 442 HG2 ARG 52 HG2 ARG 52 6.451 28.203 0.323 443 HG3 ARG 52 HG3 ARG 52 7.261 29.335 -0.762 444 HD2 ARG 52 HD2 ARG 52 5.597 29.969 1.665 445 HD3 ARG 52 HD3 ARG 52 7.316 30.278 1.424 446 HE ARG 52 HE ARG 52 6.132 31.690 -0.564 447 HH11 ARG 52 HH11 ARG 52 5.697 31.555 2.887 448 HH12 ARG 52 HH12 ARG 52 5.193 33.208 3.019 449 HH21 ARG 52 HH21 ARG 52 5.470 33.867 -0.403 450 HH22 ARG 52 HH22 ARG 52 5.063 34.521 1.147 451 H THR 53 H THR 53 2.625 27.922 -2.235 452 HA THR 53 HA THR 53 1.264 30.231 -3.163 453 HB THR 53 HB THR 53 0.731 27.314 -3.758 454 HG1 THR 53 HG1 THR 53 2.832 28.253 -4.361 455 HG21 THR 53 HG21 THR 53 -1.128 28.054 -4.758 456 HG22 THR 53 HG22 THR 53 -0.069 28.842 -5.928 457 HG23 THR 53 HG23 THR 53 -0.665 29.740 -4.533 458 H THR 54 H THR 54 0.063 27.293 -1.534 459 HA THR 54 HA THR 54 -2.584 28.220 -1.229 460 HB THR 54 HB THR 54 -1.883 25.824 -1.056 461 HG1 THR 54 HG1 THR 54 -3.834 25.857 -0.226 462 HG21 THR 54 HG21 THR 54 0.061 26.444 0.528 463 HG22 THR 54 HG22 THR 54 -0.832 24.956 0.841 464 HG23 THR 54 HG23 THR 54 -1.160 26.399 1.799 465 H GLY 55 H GLY 55 0.317 28.801 0.569 466 HA2 GLY 55 HA2 GLY 55 0.744 30.227 2.320 467 HA3 GLY 55 HA3 GLY 55 -0.869 30.882 2.082 468 H GLN 56 H GLN 56 0.100 27.580 2.938 469 HA GLN 56 HA GLN 56 -0.476 26.238 4.681 470 HB2 GLN 56 HB2 GLN 56 -0.195 28.911 6.020 471 HB3 GLN 56 HB3 GLN 56 -0.694 27.497 6.939 472 HG2 GLN 56 HG2 GLN 56 1.357 26.587 6.912 473 HG3 GLN 56 HG3 GLN 56 1.691 27.125 5.267 474 HE21 GLN 56 HE21 GLN 56 2.191 29.425 4.993 475 HE22 GLN 56 HE22 GLN 56 3.070 30.233 6.241 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.390 2.283 -2.327 2 HA2 GLY 1 HA2 GLY 1 1.995 -0.544 -1.755 3 HA3 GLY 1 HA3 GLY 1 2.228 0.246 -3.307 4 H SER 2 H SER 2 3.423 2.631 -2.030 5 HA SER 2 HA SER 2 6.118 1.545 -1.773 6 HB2 SER 2 HB2 SER 2 5.610 4.481 -1.708 7 HB3 SER 2 HB3 SER 2 6.900 3.579 -2.504 8 HG SER 2 HG SER 2 5.126 2.806 -3.932 9 H MET 3 H MET 3 6.525 0.868 0.251 10 HA MET 3 HA MET 3 5.556 2.352 2.544 11 HB2 MET 3 HB2 MET 3 6.604 -0.318 2.035 12 HB3 MET 3 HB3 MET 3 7.293 0.402 3.483 13 HG2 MET 3 HG2 MET 3 4.812 0.966 4.043 14 HG3 MET 3 HG3 MET 3 4.466 -0.320 2.888 15 HE1 MET 3 HE1 MET 3 3.564 -1.232 6.242 16 HE2 MET 3 HE2 MET 3 3.146 -1.249 4.528 17 HE3 MET 3 HE3 MET 3 3.753 -2.713 5.303 18 H GLU 4 H GLU 4 8.792 1.089 1.728 19 HA GLU 4 HA GLU 4 10.247 2.688 3.441 20 HB2 GLU 4 HB2 GLU 4 12.136 2.370 1.743 21 HB3 GLU 4 HB3 GLU 4 11.407 0.920 2.420 22 HG2 GLU 4 HG2 GLU 4 10.139 0.546 0.430 23 HG3 GLU 4 HG3 GLU 4 10.640 2.098 -0.238 24 H ARG 5 H ARG 5 9.210 3.378 0.130 25 HA ARG 5 HA ARG 5 10.580 5.823 -0.158 26 HB2 ARG 5 HB2 ARG 5 8.028 4.876 -1.475 27 HB3 ARG 5 HB3 ARG 5 8.979 6.261 -1.995 28 HG2 ARG 5 HG2 ARG 5 10.574 3.847 -1.779 29 HG3 ARG 5 HG3 ARG 5 9.224 3.674 -2.903 30 HD2 ARG 5 HD2 ARG 5 10.039 6.009 -3.762 31 HD3 ARG 5 HD3 ARG 5 11.557 5.532 -3.002 32 HE ARG 5 HE ARG 5 10.481 4.537 -5.445 33 HH11 ARG 5 HH11 ARG 5 12.391 3.660 -2.670 34 HH12 ARG 5 HH12 ARG 5 13.265 2.416 -3.502 35 HH21 ARG 5 HH21 ARG 5 11.625 2.903 -6.551 36 HH22 ARG 5 HH22 ARG 5 12.829 1.987 -5.709 37 H LEU 6 H LEU 6 7.274 5.086 0.904 38 HA LEU 6 HA LEU 6 6.406 7.731 1.235 39 HB2 LEU 6 HB2 LEU 6 4.771 6.041 1.215 40 HB3 LEU 6 HB3 LEU 6 5.578 5.135 2.493 41 HG LEU 6 HG LEU 6 4.682 7.804 3.304 42 HD11 LEU 6 HD11 LEU 6 2.305 7.046 3.505 43 HD12 LEU 6 HD12 LEU 6 2.699 5.725 2.405 44 HD13 LEU 6 HD13 LEU 6 2.836 7.397 1.860 45 HD21 LEU 6 HD21 LEU 6 5.552 5.711 4.636 46 HD22 LEU 6 HD22 LEU 6 3.854 5.237 4.568 47 HD23 LEU 6 HD23 LEU 6 4.314 6.769 5.314 48 H ARG 7 H ARG 7 7.999 5.503 3.478 49 HA ARG 7 HA ARG 7 7.864 7.171 5.750 50 HB2 ARG 7 HB2 ARG 7 8.352 4.740 5.825 51 HB3 ARG 7 HB3 ARG 7 9.924 5.056 5.103 52 HG2 ARG 7 HG2 ARG 7 10.755 5.315 7.135 53 HG3 ARG 7 HG3 ARG 7 9.741 6.746 7.333 54 HD2 ARG 7 HD2 ARG 7 8.150 5.620 8.533 55 HD3 ARG 7 HD3 ARG 7 8.508 4.075 7.762 56 HE ARG 7 HE ARG 7 9.936 3.635 9.478 57 HH11 ARG 7 HH11 ARG 7 9.524 7.084 9.250 58 HH12 ARG 7 HH12 ARG 7 10.483 7.423 10.652 59 HH21 ARG 7 HH21 ARG 7 11.201 4.068 11.326 60 HH22 ARG 7 HH22 ARG 7 11.437 5.706 11.832 61 H ASP 8 H ASP 8 10.353 6.737 3.265 62 HA ASP 8 HA ASP 8 12.234 8.513 4.413 63 HB2 ASP 8 HB2 ASP 8 11.885 7.602 1.550 64 HB3 ASP 8 HB3 ASP 8 13.279 8.496 2.150 65 H VAL 9 H VAL 9 9.840 8.940 1.818 66 HA VAL 9 HA VAL 9 10.417 11.648 1.302 67 HB VAL 9 HB VAL 9 7.824 10.152 0.891 68 HG11 VAL 9 HG11 VAL 9 6.977 12.156 0.401 69 HG12 VAL 9 HG12 VAL 9 8.564 12.926 0.458 70 HG13 VAL 9 HG13 VAL 9 8.017 12.137 -1.023 71 HG21 VAL 9 HG21 VAL 9 10.261 9.690 -0.290 72 HG22 VAL 9 HG22 VAL 9 8.691 9.255 -0.966 73 HG23 VAL 9 HG23 VAL 9 9.466 10.767 -1.438 74 H ARG 10 H ARG 10 7.872 10.154 3.296 75 HA ARG 10 HA ARG 10 6.660 12.498 4.186 76 HB2 ARG 10 HB2 ARG 10 5.670 10.289 4.518 77 HB3 ARG 10 HB3 ARG 10 6.963 9.859 5.630 78 HG2 ARG 10 HG2 ARG 10 5.783 12.270 6.547 79 HG3 ARG 10 HG3 ARG 10 4.493 11.120 6.191 80 HD2 ARG 10 HD2 ARG 10 5.579 9.449 7.591 81 HD3 ARG 10 HD3 ARG 10 6.903 10.567 7.918 82 HE ARG 10 HE ARG 10 4.718 11.934 8.741 83 HH11 ARG 10 HH11 ARG 10 5.947 8.748 9.418 84 HH12 ARG 10 HH12 ARG 10 5.289 8.693 11.020 85 HH21 ARG 10 HH21 ARG 10 3.846 11.873 10.848 86 HH22 ARG 10 HH22 ARG 10 4.093 10.470 11.832 87 H GLU 11 H GLU 11 9.223 10.585 5.757 88 HA GLU 11 HA GLU 11 9.578 12.321 7.946 89 HB2 GLU 11 HB2 GLU 11 10.386 9.935 7.757 90 HB3 GLU 11 HB3 GLU 11 11.689 10.533 6.739 91 HG2 GLU 11 HG2 GLU 11 12.620 11.793 8.513 92 HG3 GLU 11 HG3 GLU 11 11.201 11.537 9.527 93 H ARG 12 H ARG 12 11.103 12.169 4.766 94 HA ARG 12 HA ARG 12 13.092 14.114 5.244 95 HB2 ARG 12 HB2 ARG 12 13.188 12.552 3.354 96 HB3 ARG 12 HB3 ARG 12 11.773 13.316 2.643 97 HG2 ARG 12 HG2 ARG 12 13.063 14.779 1.604 98 HG3 ARG 12 HG3 ARG 12 13.719 15.326 3.149 99 HD2 ARG 12 HD2 ARG 12 15.144 13.114 2.922 100 HD3 ARG 12 HD3 ARG 12 14.806 13.350 1.208 101 HE ARG 12 HE ARG 12 15.702 15.782 2.145 102 HH11 ARG 12 HH11 ARG 12 16.936 12.533 1.930 103 HH12 ARG 12 HH12 ARG 12 18.589 13.032 1.786 104 HH21 ARG 12 HH21 ARG 12 17.875 16.450 1.956 105 HH22 ARG 12 HH22 ARG 12 19.122 15.260 1.802 106 H LEU 13 H LEU 13 9.759 14.326 4.128 107 HA LEU 13 HA LEU 13 9.848 17.076 3.419 108 HB2 LEU 13 HB2 LEU 13 8.008 14.987 3.237 109 HB3 LEU 13 HB3 LEU 13 7.236 16.187 4.271 110 HG LEU 13 HG LEU 13 8.427 17.233 1.786 111 HD11 LEU 13 HD11 LEU 13 7.259 14.909 1.351 112 HD12 LEU 13 HD12 LEU 13 7.022 16.278 0.265 113 HD13 LEU 13 HD13 LEU 13 5.796 15.887 1.472 114 HD21 LEU 13 HD21 LEU 13 5.955 18.183 1.849 115 HD22 LEU 13 HD22 LEU 13 7.237 18.851 2.859 116 HD23 LEU 13 HD23 LEU 13 6.080 17.707 3.542 117 H GLN 14 H GLN 14 8.235 15.486 6.180 118 HA GLN 14 HA GLN 14 7.581 17.749 7.611 119 HB2 GLN 14 HB2 GLN 14 7.684 16.264 9.640 120 HB3 GLN 14 HB3 GLN 14 6.716 15.641 8.311 121 HG2 GLN 14 HG2 GLN 14 7.845 13.749 8.650 122 HG3 GLN 14 HG3 GLN 14 9.140 14.550 7.761 123 HE21 GLN 14 HE21 GLN 14 7.884 14.823 11.070 124 HE22 GLN 14 HE22 GLN 14 9.405 14.575 11.850 125 H ALA 15 H ALA 15 10.570 15.835 7.836 126 HA ALA 15 HA ALA 15 11.808 17.389 9.823 127 HB1 ALA 15 HB1 ALA 15 12.675 15.228 9.399 128 HB2 ALA 15 HB2 ALA 15 12.940 15.591 7.693 129 HB3 ALA 15 HB3 ALA 15 13.933 16.370 8.925 130 H TRP 16 H TRP 16 11.977 17.556 6.282 131 HA TRP 16 HA TRP 16 13.912 19.507 5.995 132 HB2 TRP 16 HB2 TRP 16 13.110 18.420 4.039 133 HB3 TRP 16 HB3 TRP 16 11.449 18.911 4.359 134 HD1 TRP 16 HD1 TRP 16 10.733 20.651 2.639 135 HE1 TRP 16 HE1 TRP 16 11.825 22.677 1.486 136 HE3 TRP 16 HE3 TRP 16 15.408 20.326 4.682 137 HZ2 TRP 16 HZ2 TRP 16 14.335 23.966 1.447 138 HZ3 TRP 16 HZ3 TRP 16 17.097 21.994 4.034 139 HH2 TRP 16 HH2 TRP 16 16.570 23.776 2.450 140 H GLU 17 H GLU 17 10.407 20.162 5.823 141 HA GLU 17 HA GLU 17 10.623 22.935 6.061 142 HB2 GLU 17 HB2 GLU 17 8.223 22.877 6.689 143 HB3 GLU 17 HB3 GLU 17 8.586 21.915 5.263 144 HG2 GLU 17 HG2 GLU 17 7.215 20.488 6.388 145 HG3 GLU 17 HG3 GLU 17 8.784 19.969 7.001 146 H ARG 18 H ARG 18 10.493 20.423 8.498 147 HA ARG 18 HA ARG 18 9.881 21.920 10.755 148 HB2 ARG 18 HB2 ARG 18 11.263 19.368 10.216 149 HB3 ARG 18 HB3 ARG 18 11.655 20.123 11.756 150 HG2 ARG 18 HG2 ARG 18 8.859 19.527 10.814 151 HG3 ARG 18 HG3 ARG 18 9.802 18.491 11.886 152 HD2 ARG 18 HD2 ARG 18 9.560 21.335 12.659 153 HD3 ARG 18 HD3 ARG 18 8.095 20.360 12.769 154 HE ARG 18 HE ARG 18 10.378 19.123 13.990 155 HH11 ARG 18 HH11 ARG 18 7.769 21.381 14.455 156 HH12 ARG 18 HH12 ARG 18 7.748 21.201 16.178 157 HH21 ARG 18 HH21 ARG 18 10.360 18.878 16.258 158 HH22 ARG 18 HH22 ARG 18 9.223 19.778 17.203 159 H ALA 19 H ALA 19 13.191 20.859 9.967 160 HA ALA 19 HA ALA 19 14.426 22.771 11.629 161 HB1 ALA 19 HB1 ALA 19 16.501 22.058 10.654 162 HB2 ALA 19 HB2 ALA 19 15.470 20.645 10.882 163 HB3 ALA 19 HB3 ALA 19 15.659 21.348 9.276 164 H PHE 20 H PHE 20 13.473 22.822 8.260 165 HA PHE 20 HA PHE 20 14.966 24.989 7.352 166 HB2 PHE 20 HB2 PHE 20 13.818 23.826 5.685 167 HB3 PHE 20 HB3 PHE 20 12.299 23.855 6.574 168 HD1 PHE 20 HD2 PHE 20 14.714 26.132 4.889 169 HD2 PHE 20 HD1 PHE 20 10.672 25.380 5.990 170 HE1 PHE 20 HE2 PHE 20 13.999 28.098 3.595 171 HE2 PHE 20 HE1 PHE 20 9.951 27.345 4.697 172 HZ PHE 20 HZ PHE 20 11.615 28.708 3.498 173 H ARG 21 H ARG 21 11.507 25.180 8.191 174 HA ARG 21 HA ARG 21 11.478 27.976 8.444 175 HB2 ARG 21 HB2 ARG 21 9.414 26.839 8.074 176 HB3 ARG 21 HB3 ARG 21 9.633 25.840 9.505 177 HG2 ARG 21 HG2 ARG 21 7.966 27.533 9.918 178 HG3 ARG 21 HG3 ARG 21 9.390 27.833 10.917 179 HD2 ARG 21 HD2 ARG 21 9.759 29.817 9.962 180 HD3 ARG 21 HD3 ARG 21 9.544 29.162 8.340 181 HE ARG 21 HE ARG 21 7.602 30.571 9.903 182 HH11 ARG 21 HH11 ARG 21 8.040 28.192 7.400 183 HH12 ARG 21 HH12 ARG 21 6.484 28.465 6.688 184 HH21 ARG 21 HH21 ARG 21 5.551 30.939 8.976 185 HH22 ARG 21 HH22 ARG 21 5.070 30.028 7.585 186 H ARG 22 H ARG 22 12.659 25.565 10.535 187 HA ARG 22 HA ARG 22 12.289 26.986 12.999 188 HB2 ARG 22 HB2 ARG 22 13.618 24.480 12.137 189 HB3 ARG 22 HB3 ARG 22 14.254 25.242 13.589 190 HG2 ARG 22 HG2 ARG 22 11.326 24.985 13.473 191 HG3 ARG 22 HG3 ARG 22 12.227 23.471 13.573 192 HD2 ARG 22 HD2 ARG 22 12.219 23.844 15.782 193 HD3 ARG 22 HD3 ARG 22 13.503 25.001 15.433 194 HE ARG 22 HE ARG 22 11.031 26.286 15.138 195 HH11 ARG 22 HH11 ARG 22 13.038 24.904 17.624 196 HH12 ARG 22 HH12 ARG 22 12.448 25.957 18.867 197 HH21 ARG 22 HH21 ARG 22 10.246 27.678 16.766 198 HH22 ARG 22 HH22 ARG 22 10.860 27.533 18.379 199 H GLN 23 H GLN 23 15.048 26.403 10.834 200 HA GLN 23 HA GLN 23 16.621 28.372 12.317 201 HB2 GLN 23 HB2 GLN 23 17.472 26.607 10.016 202 HB3 GLN 23 HB3 GLN 23 18.525 27.569 11.045 203 HG2 GLN 23 HG2 GLN 23 16.845 25.242 11.954 204 HG3 GLN 23 HG3 GLN 23 18.576 25.195 11.624 205 HE21 GLN 23 HE21 GLN 23 19.998 26.042 13.092 206 HE22 GLN 23 HE22 GLN 23 19.531 26.565 14.670 207 H ARG 24 H ARG 24 15.952 27.642 8.886 208 HA ARG 24 HA ARG 24 16.802 30.143 7.920 209 HB2 ARG 24 HB2 ARG 24 14.994 28.024 6.772 210 HB3 ARG 24 HB3 ARG 24 15.382 29.497 5.894 211 HG2 ARG 24 HG2 ARG 24 17.428 27.540 6.914 212 HG3 ARG 24 HG3 ARG 24 16.784 27.553 5.271 213 HD2 ARG 24 HD2 ARG 24 17.587 29.901 5.049 214 HD3 ARG 24 HD3 ARG 24 18.353 29.740 6.629 215 HE ARG 24 HE ARG 24 19.277 28.652 4.134 216 HH11 ARG 24 HH11 ARG 24 19.365 28.349 7.601 217 HH12 ARG 24 HH12 ARG 24 20.885 27.518 7.620 218 HH21 ARG 24 HH21 ARG 24 21.279 27.558 4.146 219 HH22 ARG 24 HH22 ARG 24 21.973 27.069 5.654 220 H GLY 25 H GLY 25 13.495 28.899 8.431 221 HA2 GLY 25 HA2 GLY 25 11.504 29.994 8.758 222 HA3 GLY 25 HA3 GLY 25 12.465 31.217 9.576 223 H ARG 26 H ARG 26 12.640 30.292 6.170 224 HA ARG 26 HA ARG 26 11.017 32.261 5.079 225 HB2 ARG 26 HB2 ARG 26 12.875 33.851 4.308 226 HB3 ARG 26 HB3 ARG 26 12.317 34.000 5.969 227 HG2 ARG 26 HG2 ARG 26 14.315 33.473 6.807 228 HG3 ARG 26 HG3 ARG 26 14.549 32.151 5.661 229 HD2 ARG 26 HD2 ARG 26 14.862 34.168 3.972 230 HD3 ARG 26 HD3 ARG 26 15.313 35.016 5.451 231 HE ARG 26 HE ARG 26 16.737 32.652 5.454 232 HH11 ARG 26 HH11 ARG 26 16.474 35.467 3.423 233 HH12 ARG 26 HH12 ARG 26 18.110 35.374 2.859 234 HH21 ARG 26 HH21 ARG 26 18.892 32.518 4.718 235 HH22 ARG 26 HH22 ARG 26 19.484 33.695 3.596 236 H ARG 27 H ARG 27 11.374 32.570 2.754 237 HA ARG 27 HA ARG 27 11.800 30.259 1.365 238 HB2 ARG 27 HB2 ARG 27 11.202 32.892 0.708 239 HB3 ARG 27 HB3 ARG 27 12.679 32.558 -0.188 240 HG2 ARG 27 HG2 ARG 27 11.223 30.318 -0.694 241 HG3 ARG 27 HG3 ARG 27 9.963 31.549 -0.586 242 HD2 ARG 27 HD2 ARG 27 10.504 31.712 -2.804 243 HD3 ARG 27 HD3 ARG 27 11.612 32.902 -2.121 244 HE ARG 27 HE ARG 27 13.366 31.567 -2.737 245 HH11 ARG 27 HH11 ARG 27 10.426 29.707 -2.845 246 HH12 ARG 27 HH12 ARG 27 11.171 28.329 -3.586 247 HH21 ARG 27 HH21 ARG 27 14.358 29.760 -3.713 248 HH22 ARG 27 HH22 ARG 27 13.408 28.360 -4.079 249 HA PRO 28 HA PRO 28 16.180 29.611 1.686 250 HB2 PRO 28 HB2 PRO 28 16.299 27.486 0.001 251 HB3 PRO 28 HB3 PRO 28 15.687 27.367 1.655 252 HG2 PRO 28 HG2 PRO 28 14.168 27.603 -0.914 253 HG3 PRO 28 HG3 PRO 28 13.848 26.560 0.483 254 HD2 PRO 28 HD2 PRO 28 12.498 28.866 0.047 255 HD3 PRO 28 HD3 PRO 28 12.843 28.256 1.678 256 H SER 29 H SER 29 18.057 29.551 0.260 257 HA SER 29 HA SER 29 17.611 31.179 -2.135 258 HB2 SER 29 HB2 SER 29 20.370 30.661 -1.173 259 HB3 SER 29 HB3 SER 29 19.644 32.154 -1.767 260 HG SER 29 HG SER 29 20.175 31.935 0.592 261 H GLN 30 H GLN 30 19.043 30.757 -4.016 262 HA GLN 30 HA GLN 30 18.698 28.172 -5.000 263 HB2 GLN 30 HB2 GLN 30 19.696 30.639 -5.967 264 HB3 GLN 30 HB3 GLN 30 20.916 29.422 -6.318 265 HG2 GLN 30 HG2 GLN 30 19.417 28.144 -7.607 266 HG3 GLN 30 HG3 GLN 30 18.023 29.048 -7.018 267 HE21 GLN 30 HE21 GLN 30 17.337 30.740 -8.154 268 HE22 GLN 30 HE22 GLN 30 18.167 31.446 -9.494 269 H ASP 31 H ASP 31 21.157 29.471 -2.982 270 HA ASP 31 HA ASP 31 23.232 27.632 -3.600 271 HB2 ASP 31 HB2 ASP 31 22.675 29.500 -1.320 272 HB3 ASP 31 HB3 ASP 31 23.979 28.322 -1.189 273 H ASP 32 H ASP 32 20.710 27.699 -1.108 274 HA ASP 32 HA ASP 32 21.523 25.123 -0.068 275 HB2 ASP 32 HB2 ASP 32 20.104 27.316 0.951 276 HB3 ASP 32 HB3 ASP 32 18.926 26.010 0.847 277 H VAL 33 H VAL 33 18.941 26.458 -2.056 278 HA VAL 33 HA VAL 33 17.329 24.141 -2.157 279 HB VAL 33 HB VAL 33 17.581 26.381 -4.170 280 HG11 VAL 33 HG11 VAL 33 15.290 25.647 -4.853 281 HG12 VAL 33 HG12 VAL 33 16.574 24.502 -5.250 282 HG13 VAL 33 HG13 VAL 33 15.520 24.203 -3.867 283 HG21 VAL 33 HG21 VAL 33 16.406 26.235 -1.551 284 HG22 VAL 33 HG22 VAL 33 16.553 27.619 -2.634 285 HG23 VAL 33 HG23 VAL 33 15.163 26.541 -2.764 286 H GLU 34 H GLU 34 19.755 25.409 -4.436 287 HA GLU 34 HA GLU 34 19.600 23.105 -6.132 288 HB2 GLU 34 HB2 GLU 34 20.402 25.600 -6.602 289 HB3 GLU 34 HB3 GLU 34 21.968 24.910 -6.204 290 HG2 GLU 34 HG2 GLU 34 20.845 23.089 -7.967 291 HG3 GLU 34 HG3 GLU 34 20.399 24.667 -8.614 292 H ALA 35 H ALA 35 20.973 23.608 -3.150 293 HA ALA 35 HA ALA 35 23.409 22.145 -3.459 294 HB1 ALA 35 HB1 ALA 35 23.742 23.216 -1.538 295 HB2 ALA 35 HB2 ALA 35 22.018 23.526 -1.331 296 HB3 ALA 35 HB3 ALA 35 22.713 22.003 -0.778 297 H ALA 36 H ALA 36 20.096 21.305 -2.907 298 HA ALA 36 HA ALA 36 20.707 18.633 -1.965 299 HB1 ALA 36 HB1 ALA 36 18.001 18.742 -2.638 300 HB2 ALA 36 HB2 ALA 36 18.710 18.919 -1.032 301 HB3 ALA 36 HB3 ALA 36 18.391 20.346 -2.017 302 HA PRO 37 HA PRO 37 20.639 16.487 -5.790 303 HB2 PRO 37 HB2 PRO 37 19.202 14.259 -5.205 304 HB3 PRO 37 HB3 PRO 37 20.840 14.533 -4.598 305 HG2 PRO 37 HG2 PRO 37 18.215 14.950 -3.221 306 HG3 PRO 37 HG3 PRO 37 19.709 14.232 -2.589 307 HD2 PRO 37 HD2 PRO 37 18.980 16.784 -2.055 308 HD3 PRO 37 HD3 PRO 37 20.678 16.286 -2.195 309 H GLU 38 H GLU 38 19.055 15.208 -7.297 310 HA GLU 38 HA GLU 38 17.105 17.001 -8.203 311 HB2 GLU 38 HB2 GLU 38 18.292 14.674 -9.156 312 HB3 GLU 38 HB3 GLU 38 16.590 14.256 -9.015 313 HG2 GLU 38 HG2 GLU 38 16.097 16.365 -10.312 314 HG3 GLU 38 HG3 GLU 38 17.826 16.457 -10.638 315 H GLU 39 H GLU 39 16.555 13.748 -6.838 316 HA GLU 39 HA GLU 39 13.831 13.838 -6.577 317 HB2 GLU 39 HB2 GLU 39 15.508 11.947 -6.012 318 HB3 GLU 39 HB3 GLU 39 15.523 12.647 -4.399 319 HG2 GLU 39 HG2 GLU 39 13.909 11.049 -4.166 320 HG3 GLU 39 HG3 GLU 39 12.930 12.450 -4.601 321 H THR 40 H THR 40 16.164 14.761 -4.042 322 HA THR 40 HA THR 40 14.318 15.691 -2.176 323 HB THR 40 HB THR 40 17.144 16.661 -2.643 324 HG1 THR 40 HG1 THR 40 16.049 14.641 -0.956 325 HG21 THR 40 HG21 THR 40 15.240 17.048 -0.339 326 HG22 THR 40 HG22 THR 40 16.070 18.285 -1.284 327 HG23 THR 40 HG23 THR 40 16.985 17.252 -0.186 328 H ARG 41 H ARG 41 15.988 17.440 -4.772 329 HA ARG 41 HA ARG 41 15.117 20.012 -4.209 330 HB2 ARG 41 HB2 ARG 41 15.958 18.590 -6.691 331 HB3 ARG 41 HB3 ARG 41 15.201 20.169 -6.858 332 HG2 ARG 41 HG2 ARG 41 16.904 21.203 -5.543 333 HG3 ARG 41 HG3 ARG 41 17.594 19.636 -5.116 334 HD2 ARG 41 HD2 ARG 41 18.967 19.918 -6.850 335 HD3 ARG 41 HD3 ARG 41 17.568 19.599 -7.874 336 HE ARG 41 HE ARG 41 17.845 22.352 -7.070 337 HH11 ARG 41 HH11 ARG 41 18.703 19.936 -9.426 338 HH12 ARG 41 HH12 ARG 41 19.025 21.087 -10.681 339 HH21 ARG 41 HH21 ARG 41 18.265 23.876 -8.714 340 HH22 ARG 41 HH22 ARG 41 18.776 23.328 -10.274 341 H ALA 42 H ALA 42 13.499 17.435 -6.007 342 HA ALA 42 HA ALA 42 11.294 18.986 -6.870 343 HB1 ALA 42 HB1 ALA 42 12.066 16.738 -7.772 344 HB2 ALA 42 HB2 ALA 42 11.218 16.019 -6.403 345 HB3 ALA 42 HB3 ALA 42 10.327 16.969 -7.592 346 H LEU 43 H LEU 43 11.653 16.693 -4.166 347 HA LEU 43 HA LEU 43 9.080 16.996 -3.114 348 HB2 LEU 43 HB2 LEU 43 11.544 16.470 -1.475 349 HB3 LEU 43 HB3 LEU 43 9.892 15.948 -1.150 350 HG LEU 43 HG LEU 43 11.067 14.938 -3.656 351 HD11 LEU 43 HD11 LEU 43 12.942 14.117 -2.810 352 HD12 LEU 43 HD12 LEU 43 11.984 13.167 -1.675 353 HD13 LEU 43 HD13 LEU 43 12.555 14.772 -1.219 354 HD21 LEU 43 HD21 LEU 43 9.258 14.024 -1.479 355 HD22 LEU 43 HD22 LEU 43 10.103 12.806 -2.436 356 HD23 LEU 43 HD23 LEU 43 9.041 13.971 -3.229 357 H TYR 44 H TYR 44 12.099 18.678 -2.290 358 HA TYR 44 HA TYR 44 11.065 20.290 -0.248 359 HB2 TYR 44 HB2 TYR 44 13.406 20.596 -2.112 360 HB3 TYR 44 HB3 TYR 44 13.014 21.839 -0.929 361 HD1 TYR 44 HD2 TYR 44 12.112 18.647 0.293 362 HD2 TYR 44 HD1 TYR 44 15.459 21.216 -0.259 363 HE1 TYR 44 HE2 TYR 44 13.348 17.397 2.013 364 HE2 TYR 44 HE1 TYR 44 16.705 19.972 1.458 365 HH TYR 44 HH TYR 44 15.673 18.334 3.654 366 H ARG 45 H ARG 45 11.784 21.264 -3.606 367 HA ARG 45 HA ARG 45 10.548 23.750 -3.514 368 HB2 ARG 45 HB2 ARG 45 11.979 22.457 -5.379 369 HB3 ARG 45 HB3 ARG 45 10.372 22.235 -6.060 370 HG2 ARG 45 HG2 ARG 45 10.067 24.491 -6.424 371 HG3 ARG 45 HG3 ARG 45 11.258 24.953 -5.207 372 HD2 ARG 45 HD2 ARG 45 13.029 24.632 -6.620 373 HD3 ARG 45 HD3 ARG 45 12.191 23.400 -7.563 374 HE ARG 45 HE ARG 45 10.840 25.733 -8.064 375 HH11 ARG 45 HH11 ARG 45 14.122 24.623 -8.401 376 HH12 ARG 45 HH12 ARG 45 14.464 25.639 -9.762 377 HH21 ARG 45 HH21 ARG 45 11.277 27.075 -9.856 378 HH22 ARG 45 HH22 ARG 45 12.845 27.034 -10.588 379 H GLU 46 H GLU 46 9.168 20.587 -3.773 380 HA GLU 46 HA GLU 46 6.659 21.335 -4.869 381 HB2 GLU 46 HB2 GLU 46 7.817 18.929 -3.596 382 HB3 GLU 46 HB3 GLU 46 6.070 19.085 -3.487 383 HG2 GLU 46 HG2 GLU 46 7.334 19.507 -6.135 384 HG3 GLU 46 HG3 GLU 46 7.252 17.862 -5.507 385 H TYR 47 H TYR 47 7.567 20.463 -1.530 386 HA TYR 47 HA TYR 47 5.102 21.269 -0.404 387 HB2 TYR 47 HB2 TYR 47 6.630 19.678 0.698 388 HB3 TYR 47 HB3 TYR 47 7.799 20.973 0.937 389 HD1 TYR 47 HD2 TYR 47 4.319 19.964 1.789 390 HD2 TYR 47 HD1 TYR 47 7.719 22.284 2.867 391 HE1 TYR 47 HE2 TYR 47 3.250 20.524 3.932 392 HE2 TYR 47 HE1 TYR 47 6.660 22.849 5.014 393 HH TYR 47 HH TYR 47 3.520 21.483 5.929 394 H ARG 48 H ARG 48 8.000 22.976 -1.236 395 HA ARG 48 HA ARG 48 7.512 25.261 0.419 396 HB2 ARG 48 HB2 ARG 48 9.683 24.332 -0.953 397 HB3 ARG 48 HB3 ARG 48 9.154 25.649 -1.991 398 HG2 ARG 48 HG2 ARG 48 9.586 25.997 0.960 399 HG3 ARG 48 HG3 ARG 48 10.875 26.209 -0.227 400 HD2 ARG 48 HD2 ARG 48 9.840 28.056 -1.200 401 HD3 ARG 48 HD3 ARG 48 8.266 27.651 -0.517 402 HE ARG 48 HE ARG 48 10.275 29.253 0.686 403 HH11 ARG 48 HH11 ARG 48 7.808 26.908 1.416 404 HH12 ARG 48 HH12 ARG 48 7.558 27.481 3.032 405 HH21 ARG 48 HH21 ARG 48 9.955 30.017 2.811 406 HH22 ARG 48 HH22 ARG 48 8.779 29.250 3.824 407 H THR 49 H THR 49 6.976 24.472 -2.992 408 HA THR 49 HA THR 49 5.937 27.025 -3.694 409 HB THR 49 HB THR 49 5.598 24.353 -5.068 410 HG1 THR 49 HG1 THR 49 7.206 25.488 -6.497 411 HG21 THR 49 HG21 THR 49 4.926 27.157 -5.942 412 HG22 THR 49 HG22 THR 49 3.856 25.758 -5.860 413 HG23 THR 49 HG23 THR 49 5.132 25.823 -7.076 414 H LEU 50 H LEU 50 4.506 24.022 -2.557 415 HA LEU 50 HA LEU 50 1.802 24.844 -3.013 416 HB2 LEU 50 HB2 LEU 50 2.999 22.629 -1.363 417 HB3 LEU 50 HB3 LEU 50 1.265 22.878 -1.551 418 HG LEU 50 HG LEU 50 3.220 22.181 -3.741 419 HD11 LEU 50 HD11 LEU 50 2.904 20.181 -2.686 420 HD12 LEU 50 HD12 LEU 50 1.515 20.174 -3.772 421 HD13 LEU 50 HD13 LEU 50 1.308 20.623 -2.079 422 HD21 LEU 50 HD21 LEU 50 1.730 22.995 -5.168 423 HD22 LEU 50 HD22 LEU 50 0.643 23.429 -3.848 424 HD23 LEU 50 HD23 LEU 50 0.559 21.820 -4.568 425 H LYS 51 H LYS 51 3.959 24.744 -0.210 426 HA LYS 51 HA LYS 51 2.018 25.655 1.658 427 HB2 LYS 51 HB2 LYS 51 4.053 24.425 2.321 428 HB3 LYS 51 HB3 LYS 51 5.036 25.789 1.807 429 HG2 LYS 51 HG2 LYS 51 4.336 27.123 3.572 430 HG3 LYS 51 HG3 LYS 51 2.900 26.142 3.871 431 HD2 LYS 51 HD2 LYS 51 4.143 24.434 4.891 432 HD3 LYS 51 HD3 LYS 51 5.667 25.032 4.232 433 HE2 LYS 51 HE2 LYS 51 5.958 26.472 5.923 434 HE3 LYS 51 HE3 LYS 51 4.272 26.983 5.897 435 HZ1 LYS 51 HZ1 LYS 51 4.353 25.949 7.906 436 HZ2 LYS 51 HZ2 LYS 51 5.540 24.841 7.435 437 HZ3 LYS 51 HZ3 LYS 51 3.936 24.618 6.947 438 H ARG 52 H ARG 52 4.380 27.249 -0.401 439 HA ARG 52 HA ARG 52 4.004 29.839 0.769 440 HB2 ARG 52 HB2 ARG 52 5.370 28.857 -1.727 441 HB3 ARG 52 HB3 ARG 52 5.217 30.572 -1.373 442 HG2 ARG 52 HG2 ARG 52 6.450 28.649 0.570 443 HG3 ARG 52 HG3 ARG 52 7.384 29.436 -0.704 444 HD2 ARG 52 HD2 ARG 52 5.815 30.802 1.479 445 HD3 ARG 52 HD3 ARG 52 7.570 30.679 1.372 446 HE ARG 52 HE ARG 52 6.638 31.894 -0.964 447 HH11 ARG 52 HH11 ARG 52 6.851 32.545 2.449 448 HH12 ARG 52 HH12 ARG 52 6.948 34.263 2.249 449 HH21 ARG 52 HH21 ARG 52 6.765 34.154 -1.242 450 HH22 ARG 52 HH22 ARG 52 6.898 35.177 0.149 451 H THR 53 H THR 53 2.872 28.217 -2.173 452 HA THR 53 HA THR 53 1.363 30.466 -3.090 453 HB THR 53 HB THR 53 1.201 27.559 -3.909 454 HG1 THR 53 HG1 THR 53 2.453 29.743 -5.242 455 HG21 THR 53 HG21 THR 53 -0.007 30.053 -5.095 456 HG22 THR 53 HG22 THR 53 -0.840 28.594 -4.557 457 HG23 THR 53 HG23 THR 53 0.179 28.549 -5.996 458 H THR 54 H THR 54 0.282 27.239 -2.012 459 HA THR 54 HA THR 54 -2.412 28.013 -1.667 460 HB THR 54 HB THR 54 -1.195 25.727 -0.148 461 HG1 THR 54 HG1 THR 54 -0.373 25.229 -2.083 462 HG21 THR 54 HG21 THR 54 -3.345 24.658 -0.740 463 HG22 THR 54 HG22 THR 54 -3.832 26.141 -1.562 464 HG23 THR 54 HG23 THR 54 -3.562 26.145 0.181 465 H GLY 55 H GLY 55 0.183 27.442 0.713 466 HA2 GLY 55 HA2 GLY 55 -1.482 28.600 2.813 467 HA3 GLY 55 HA3 GLY 55 0.074 27.814 3.034 468 H GLN 56 H GLN 56 -0.751 30.445 0.814 469 HA GLN 56 HA GLN 56 1.547 31.941 1.475 470 HB2 GLN 56 HB2 GLN 56 0.687 33.632 0.025 471 HB3 GLN 56 HB3 GLN 56 0.264 32.077 -0.680 472 HG2 GLN 56 HG2 GLN 56 -1.813 32.826 -0.831 473 HG3 GLN 56 HG3 GLN 56 -1.902 32.705 0.926 474 HE21 GLN 56 HE21 GLN 56 -0.916 34.887 -1.675 475 HE22 GLN 56 HE22 GLN 56 -1.352 36.345 -0.856 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.559 -2.472 -0.059 2 HA2 GLY 1 HA2 GLY 1 3.495 -1.576 0.967 3 HA3 GLY 1 HA3 GLY 1 3.972 -1.750 -0.715 4 H SER 2 H SER 2 5.023 -0.029 -1.422 5 HA SER 2 HA SER 2 5.685 2.122 -1.752 6 HB2 SER 2 HB2 SER 2 2.935 3.063 -0.991 7 HB3 SER 2 HB3 SER 2 4.018 3.689 -2.234 8 HG SER 2 HG SER 2 3.671 1.531 -3.248 9 H MET 3 H MET 3 6.071 1.019 0.844 10 HA MET 3 HA MET 3 5.469 3.130 2.741 11 HB2 MET 3 HB2 MET 3 5.470 0.607 3.238 12 HB3 MET 3 HB3 MET 3 7.223 0.740 3.260 13 HG2 MET 3 HG2 MET 3 7.257 1.862 5.223 14 HG3 MET 3 HG3 MET 3 5.719 2.666 4.918 15 HE1 MET 3 HE1 MET 3 5.901 -1.665 5.164 16 HE2 MET 3 HE2 MET 3 7.332 -0.633 5.144 17 HE3 MET 3 HE3 MET 3 6.744 -1.297 6.669 18 H GLU 4 H GLU 4 8.339 1.675 1.240 19 HA GLU 4 HA GLU 4 10.320 3.126 2.502 20 HB2 GLU 4 HB2 GLU 4 10.617 1.242 0.847 21 HB3 GLU 4 HB3 GLU 4 10.344 2.417 -0.432 22 HG2 GLU 4 HG2 GLU 4 12.315 3.597 0.092 23 HG3 GLU 4 HG3 GLU 4 12.506 2.743 1.623 24 H ARG 5 H ARG 5 8.613 3.980 -0.506 25 HA ARG 5 HA ARG 5 9.866 6.429 -0.956 26 HB2 ARG 5 HB2 ARG 5 7.027 5.635 -1.628 27 HB3 ARG 5 HB3 ARG 5 7.904 6.986 -2.333 28 HG2 ARG 5 HG2 ARG 5 8.985 4.205 -2.528 29 HG3 ARG 5 HG3 ARG 5 7.740 4.774 -3.642 30 HD2 ARG 5 HD2 ARG 5 9.177 6.079 -4.767 31 HD3 ARG 5 HD3 ARG 5 9.966 6.638 -3.292 32 HE ARG 5 HE ARG 5 11.563 5.020 -3.572 33 HH11 ARG 5 HH11 ARG 5 8.843 4.317 -5.629 34 HH12 ARG 5 HH12 ARG 5 9.645 3.031 -6.470 35 HH21 ARG 5 HH21 ARG 5 12.629 3.329 -4.671 36 HH22 ARG 5 HH22 ARG 5 11.797 2.469 -5.923 37 H LEU 6 H LEU 6 6.656 5.901 0.514 38 HA LEU 6 HA LEU 6 6.138 8.496 1.292 39 HB2 LEU 6 HB2 LEU 6 5.163 5.855 1.968 40 HB3 LEU 6 HB3 LEU 6 5.114 6.941 3.355 41 HG LEU 6 HG LEU 6 3.986 7.973 0.820 42 HD11 LEU 6 HD11 LEU 6 2.905 5.978 0.538 43 HD12 LEU 6 HD12 LEU 6 1.789 6.784 1.639 44 HD13 LEU 6 HD13 LEU 6 2.930 5.591 2.258 45 HD21 LEU 6 HD21 LEU 6 2.652 8.020 3.482 46 HD22 LEU 6 HD22 LEU 6 2.682 9.242 2.211 47 HD23 LEU 6 HD23 LEU 6 4.096 9.003 3.238 48 H ARG 7 H ARG 7 8.146 6.079 2.854 49 HA ARG 7 HA ARG 7 8.489 7.412 5.319 50 HB2 ARG 7 HB2 ARG 7 9.029 5.038 5.005 51 HB3 ARG 7 HB3 ARG 7 10.335 5.475 3.912 52 HG2 ARG 7 HG2 ARG 7 10.481 6.754 6.543 53 HG3 ARG 7 HG3 ARG 7 10.620 4.995 6.567 54 HD2 ARG 7 HD2 ARG 7 12.306 5.372 4.622 55 HD3 ARG 7 HD3 ARG 7 12.380 7.019 5.246 56 HE ARG 7 HE ARG 7 13.551 4.688 6.408 57 HH11 ARG 7 HH11 ARG 7 12.164 7.799 7.132 58 HH12 ARG 7 HH12 ARG 7 13.031 7.984 8.620 59 HH21 ARG 7 HH21 ARG 7 14.698 4.921 8.365 60 HH22 ARG 7 HH22 ARG 7 14.473 6.347 9.320 61 H ASP 8 H ASP 8 10.575 7.278 2.433 62 HA ASP 8 HA ASP 8 12.506 9.092 3.390 63 HB2 ASP 8 HB2 ASP 8 11.766 8.494 0.518 64 HB3 ASP 8 HB3 ASP 8 13.268 9.228 1.072 65 H VAL 9 H VAL 9 9.612 9.554 1.402 66 HA VAL 9 HA VAL 9 9.996 12.306 0.901 67 HB VAL 9 HB VAL 9 7.416 10.735 0.985 68 HG11 VAL 9 HG11 VAL 9 6.555 12.826 0.942 69 HG12 VAL 9 HG12 VAL 9 8.046 13.546 0.330 70 HG13 VAL 9 HG13 VAL 9 6.952 12.709 -0.772 71 HG21 VAL 9 HG21 VAL 9 9.606 10.883 -0.930 72 HG22 VAL 9 HG22 VAL 9 8.284 9.721 -0.809 73 HG23 VAL 9 HG23 VAL 9 8.037 11.254 -1.645 74 H ARG 10 H ARG 10 7.692 10.743 3.137 75 HA ARG 10 HA ARG 10 6.816 13.011 4.444 76 HB2 ARG 10 HB2 ARG 10 5.799 10.802 4.746 77 HB3 ARG 10 HB3 ARG 10 7.227 10.253 5.613 78 HG2 ARG 10 HG2 ARG 10 6.633 11.288 7.523 79 HG3 ARG 10 HG3 ARG 10 5.927 12.669 6.682 80 HD2 ARG 10 HD2 ARG 10 3.966 11.335 6.117 81 HD3 ARG 10 HD3 ARG 10 4.677 9.935 6.918 82 HE ARG 10 HE ARG 10 4.602 11.942 8.809 83 HH11 ARG 10 HH11 ARG 10 2.308 10.204 6.850 84 HH12 ARG 10 HH12 ARG 10 1.022 10.342 8.003 85 HH21 ARG 10 HH21 ARG 10 2.917 12.131 10.334 86 HH22 ARG 10 HH22 ARG 10 1.369 11.439 9.984 87 H GLU 11 H GLU 11 9.629 10.987 5.192 88 HA GLU 11 HA GLU 11 10.395 12.406 7.520 89 HB2 GLU 11 HB2 GLU 11 11.174 10.133 7.081 90 HB3 GLU 11 HB3 GLU 11 12.043 10.688 5.657 91 HG2 GLU 11 HG2 GLU 11 12.920 12.265 7.822 92 HG3 GLU 11 HG3 GLU 11 12.910 10.589 8.368 93 H ARG 12 H ARG 12 11.336 12.658 4.120 94 HA ARG 12 HA ARG 12 13.384 14.548 4.430 95 HB2 ARG 12 HB2 ARG 12 11.626 13.691 2.176 96 HB3 ARG 12 HB3 ARG 12 12.566 15.165 1.986 97 HG2 ARG 12 HG2 ARG 12 13.796 12.545 2.789 98 HG3 ARG 12 HG3 ARG 12 13.615 13.051 1.108 99 HD2 ARG 12 HD2 ARG 12 15.017 14.947 1.448 100 HD3 ARG 12 HD3 ARG 12 15.022 14.704 3.195 101 HE ARG 12 HE ARG 12 16.074 12.440 1.843 102 HH11 ARG 12 HH11 ARG 12 16.854 15.687 2.825 103 HH12 ARG 12 HH12 ARG 12 18.559 15.393 2.905 104 HH21 ARG 12 HH21 ARG 12 18.317 12.040 1.944 105 HH22 ARG 12 HH22 ARG 12 19.391 13.318 2.403 106 H LEU 13 H LEU 13 9.921 14.987 3.761 107 HA LEU 13 HA LEU 13 9.982 17.799 3.620 108 HB2 LEU 13 HB2 LEU 13 8.085 15.814 3.290 109 HB3 LEU 13 HB3 LEU 13 7.505 16.717 4.687 110 HG LEU 13 HG LEU 13 8.101 17.877 1.966 111 HD11 LEU 13 HD11 LEU 13 5.381 17.903 3.109 112 HD12 LEU 13 HD12 LEU 13 5.983 16.340 2.557 113 HD13 LEU 13 HD13 LEU 13 5.914 17.702 1.439 114 HD21 LEU 13 HD21 LEU 13 6.483 19.497 3.699 115 HD22 LEU 13 HD22 LEU 13 7.997 19.894 2.886 116 HD23 LEU 13 HD23 LEU 13 8.023 19.124 4.473 117 H GLN 14 H GLN 14 8.984 15.660 6.294 118 HA GLN 14 HA GLN 14 8.445 17.577 8.201 119 HB2 GLN 14 HB2 GLN 14 9.667 14.837 8.563 120 HB3 GLN 14 HB3 GLN 14 9.043 15.822 9.881 121 HG2 GLN 14 HG2 GLN 14 7.188 15.378 7.644 122 HG3 GLN 14 HG3 GLN 14 7.616 13.947 8.581 123 HE21 GLN 14 HE21 GLN 14 5.126 15.626 8.315 124 HE22 GLN 14 HE22 GLN 14 4.672 15.974 9.945 125 H ALA 15 H ALA 15 11.517 15.770 8.004 126 HA ALA 15 HA ALA 15 12.966 17.276 9.805 127 HB1 ALA 15 HB1 ALA 15 14.251 16.175 7.332 128 HB2 ALA 15 HB2 ALA 15 14.885 16.251 8.976 129 HB3 ALA 15 HB3 ALA 15 13.603 15.108 8.577 130 H TRP 16 H TRP 16 12.585 17.803 6.317 131 HA TRP 16 HA TRP 16 14.337 19.894 5.939 132 HB2 TRP 16 HB2 TRP 16 13.243 18.968 4.038 133 HB3 TRP 16 HB3 TRP 16 11.648 19.340 4.687 134 HD1 TRP 16 HD1 TRP 16 10.572 21.274 3.426 135 HE1 TRP 16 HE1 TRP 16 11.391 23.437 2.295 136 HE3 TRP 16 HE3 TRP 16 15.582 20.822 4.340 137 HZ2 TRP 16 HZ2 TRP 16 13.836 24.774 1.849 138 HZ3 TRP 16 HZ3 TRP 16 17.093 22.586 3.527 139 HH2 TRP 16 HH2 TRP 16 16.236 24.520 2.307 140 H GLU 17 H GLU 17 10.842 20.513 6.175 141 HA GLU 17 HA GLU 17 10.996 23.192 6.776 142 HB2 GLU 17 HB2 GLU 17 8.730 23.024 7.624 143 HB3 GLU 17 HB3 GLU 17 8.909 22.002 6.205 144 HG2 GLU 17 HG2 GLU 17 9.027 20.033 7.560 145 HG3 GLU 17 HG3 GLU 17 9.064 20.996 9.035 146 H ARG 18 H ARG 18 11.407 20.452 8.902 147 HA ARG 18 HA ARG 18 11.083 21.645 11.386 148 HB2 ARG 18 HB2 ARG 18 12.246 19.226 10.348 149 HB3 ARG 18 HB3 ARG 18 13.265 19.877 11.625 150 HG2 ARG 18 HG2 ARG 18 10.402 19.854 12.247 151 HG3 ARG 18 HG3 ARG 18 11.126 18.260 12.019 152 HD2 ARG 18 HD2 ARG 18 12.584 20.226 13.702 153 HD3 ARG 18 HD3 ARG 18 11.128 19.490 14.370 154 HE ARG 18 HE ARG 18 13.664 18.218 13.923 155 HH11 ARG 18 HH11 ARG 18 10.235 17.721 14.253 156 HH12 ARG 18 HH12 ARG 18 10.391 16.071 14.759 157 HH21 ARG 18 HH21 ARG 18 13.883 16.047 14.587 158 HH22 ARG 18 HH22 ARG 18 12.466 15.120 14.949 159 H ALA 19 H ALA 19 14.299 20.924 10.044 160 HA ALA 19 HA ALA 19 15.590 22.859 11.664 161 HB1 ALA 19 HB1 ALA 19 16.949 21.969 9.198 162 HB2 ALA 19 HB2 ALA 19 17.523 22.001 10.866 163 HB3 ALA 19 HB3 ALA 19 16.457 20.704 10.325 164 H PHE 20 H PHE 20 14.217 22.931 8.457 165 HA PHE 20 HA PHE 20 15.487 25.175 7.404 166 HB2 PHE 20 HB2 PHE 20 14.177 24.017 5.868 167 HB3 PHE 20 HB3 PHE 20 12.802 23.919 6.964 168 HD1 PHE 20 HD1 PHE 20 14.838 26.497 5.195 169 HD2 PHE 20 HD2 PHE 20 10.991 25.257 6.529 170 HE1 PHE 20 HE1 PHE 20 13.829 28.452 4.093 171 HE2 PHE 20 HE2 PHE 20 9.976 27.209 5.429 172 HZ PHE 20 HZ PHE 20 11.395 28.809 4.208 173 H ARG 21 H ARG 21 12.163 25.214 8.685 174 HA ARG 21 HA ARG 21 12.099 28.007 9.032 175 HB2 ARG 21 HB2 ARG 21 10.031 26.834 8.830 176 HB3 ARG 21 HB3 ARG 21 10.416 25.789 10.191 177 HG2 ARG 21 HG2 ARG 21 9.782 27.320 11.725 178 HG3 ARG 21 HG3 ARG 21 10.323 28.685 10.748 179 HD2 ARG 21 HD2 ARG 21 8.276 29.007 9.936 180 HD3 ARG 21 HD3 ARG 21 8.129 27.311 9.478 181 HE ARG 21 HE ARG 21 6.811 27.005 11.308 182 HH11 ARG 21 HH11 ARG 21 8.773 29.833 11.827 183 HH12 ARG 21 HH12 ARG 21 8.021 30.239 13.334 184 HH21 ARG 21 HH21 ARG 21 5.813 27.528 13.292 185 HH22 ARG 21 HH22 ARG 21 6.338 28.926 14.167 186 H ARG 22 H ARG 22 13.594 25.576 10.858 187 HA ARG 22 HA ARG 22 13.410 26.788 13.437 188 HB2 ARG 22 HB2 ARG 22 13.854 24.440 13.335 189 HB3 ARG 22 HB3 ARG 22 15.247 24.687 12.291 190 HG2 ARG 22 HG2 ARG 22 16.433 25.782 14.119 191 HG3 ARG 22 HG3 ARG 22 15.031 25.556 15.166 192 HD2 ARG 22 HD2 ARG 22 16.662 23.366 13.883 193 HD3 ARG 22 HD3 ARG 22 16.732 23.851 15.576 194 HE ARG 22 HE ARG 22 14.780 22.161 14.352 195 HH11 ARG 22 HH11 ARG 22 15.307 24.463 16.910 196 HH12 ARG 22 HH12 ARG 22 14.038 23.839 17.910 197 HH21 ARG 22 HH21 ARG 22 13.107 21.330 15.659 198 HH22 ARG 22 HH22 ARG 22 12.787 22.056 17.198 199 H GLN 23 H GLN 23 15.942 26.683 10.943 200 HA GLN 23 HA GLN 23 17.452 28.717 12.406 201 HB2 GLN 23 HB2 GLN 23 18.265 27.283 9.878 202 HB3 GLN 23 HB3 GLN 23 19.299 28.194 10.970 203 HG2 GLN 23 HG2 GLN 23 18.054 26.188 12.506 204 HG3 GLN 23 HG3 GLN 23 18.622 25.427 11.021 205 HE21 GLN 23 HE21 GLN 23 19.464 26.455 14.085 206 HE22 GLN 23 HE22 GLN 23 21.182 26.356 13.934 207 H ARG 24 H ARG 24 16.354 28.126 9.063 208 HA ARG 24 HA ARG 24 16.861 30.770 8.186 209 HB2 ARG 24 HB2 ARG 24 15.205 28.511 7.083 210 HB3 ARG 24 HB3 ARG 24 15.276 30.078 6.288 211 HG2 ARG 24 HG2 ARG 24 17.707 28.423 6.917 212 HG3 ARG 24 HG3 ARG 24 16.837 28.349 5.383 213 HD2 ARG 24 HD2 ARG 24 18.221 30.744 6.580 214 HD3 ARG 24 HD3 ARG 24 18.715 29.836 5.152 215 HE ARG 24 HE ARG 24 16.185 30.714 4.588 216 HH11 ARG 24 HH11 ARG 24 19.192 32.218 5.491 217 HH12 ARG 24 HH12 ARG 24 18.863 33.689 4.638 218 HH21 ARG 24 HH21 ARG 24 15.740 32.647 3.461 219 HH22 ARG 24 HH22 ARG 24 16.899 33.933 3.484 220 H GLY 25 H GLY 25 13.678 29.179 8.485 221 HA2 GLY 25 HA2 GLY 25 11.688 29.978 9.337 222 HA3 GLY 25 HA3 GLY 25 12.577 31.328 10.024 223 H ARG 26 H ARG 26 12.536 30.447 6.617 224 HA ARG 26 HA ARG 26 10.494 32.092 5.713 225 HB2 ARG 26 HB2 ARG 26 12.742 33.587 6.633 226 HB3 ARG 26 HB3 ARG 26 12.664 33.737 4.882 227 HG2 ARG 26 HG2 ARG 26 10.700 34.883 4.925 228 HG3 ARG 26 HG3 ARG 26 10.150 34.103 6.410 229 HD2 ARG 26 HD2 ARG 26 10.608 36.368 6.951 230 HD3 ARG 26 HD3 ARG 26 11.922 35.404 7.626 231 HE ARG 26 HE ARG 26 12.673 36.268 5.071 232 HH11 ARG 26 HH11 ARG 26 12.040 37.567 8.239 233 HH12 ARG 26 HH12 ARG 26 13.125 38.904 8.050 234 HH21 ARG 26 HH21 ARG 26 14.105 38.024 4.811 235 HH22 ARG 26 HH22 ARG 26 14.299 39.164 6.100 236 H ARG 27 H ARG 27 10.708 32.613 3.350 237 HA ARG 27 HA ARG 27 11.274 30.426 1.835 238 HB2 ARG 27 HB2 ARG 27 10.481 33.053 1.330 239 HB3 ARG 27 HB3 ARG 27 11.921 32.830 0.345 240 HG2 ARG 27 HG2 ARG 27 10.790 30.655 -0.436 241 HG3 ARG 27 HG3 ARG 27 9.317 31.365 0.228 242 HD2 ARG 27 HD2 ARG 27 9.522 31.841 -2.154 243 HD3 ARG 27 HD3 ARG 27 9.611 33.323 -1.202 244 HE ARG 27 HE ARG 27 12.174 32.173 -1.832 245 HH11 ARG 27 HH11 ARG 27 9.640 34.310 -2.895 246 HH12 ARG 27 HH12 ARG 27 10.673 35.227 -3.940 247 HH21 ARG 27 HH21 ARG 27 13.545 33.373 -3.204 248 HH22 ARG 27 HH22 ARG 27 12.894 34.693 -4.116 249 HA PRO 28 HA PRO 28 15.714 30.157 2.065 250 HB2 PRO 28 HB2 PRO 28 15.943 27.978 0.463 251 HB3 PRO 28 HB3 PRO 28 15.416 27.881 2.147 252 HG2 PRO 28 HG2 PRO 28 13.773 27.874 -0.355 253 HG3 PRO 28 HG3 PRO 28 13.605 26.869 1.097 254 HD2 PRO 28 HD2 PRO 28 12.043 29.032 0.633 255 HD3 PRO 28 HD3 PRO 28 12.510 28.525 2.269 256 H SER 29 H SER 29 17.354 29.410 0.118 257 HA SER 29 HA SER 29 16.723 31.138 -2.183 258 HB2 SER 29 HB2 SER 29 19.237 31.012 -0.531 259 HB3 SER 29 HB3 SER 29 19.263 31.607 -2.191 260 HG SER 29 HG SER 29 17.761 32.642 -0.018 261 H GLN 30 H GLN 30 18.687 30.725 -3.869 262 HA GLN 30 HA GLN 30 18.237 28.112 -4.854 263 HB2 GLN 30 HB2 GLN 30 20.013 30.387 -5.650 264 HB3 GLN 30 HB3 GLN 30 20.234 28.812 -6.400 265 HG2 GLN 30 HG2 GLN 30 18.466 29.082 -7.715 266 HG3 GLN 30 HG3 GLN 30 17.454 29.623 -6.376 267 HE21 GLN 30 HE21 GLN 30 20.358 30.935 -7.938 268 HE22 GLN 30 HE22 GLN 30 19.681 32.487 -8.280 269 H ASP 31 H ASP 31 20.479 29.368 -2.612 270 HA ASP 31 HA ASP 31 22.597 27.510 -3.027 271 HB2 ASP 31 HB2 ASP 31 21.858 29.470 -0.902 272 HB3 ASP 31 HB3 ASP 31 23.028 28.216 -0.503 273 H ASP 32 H ASP 32 19.922 27.662 -0.689 274 HA ASP 32 HA ASP 32 20.573 25.119 0.466 275 HB2 ASP 32 HB2 ASP 32 19.209 27.220 1.412 276 HB3 ASP 32 HB3 ASP 32 17.853 26.271 0.808 277 H VAL 33 H VAL 33 18.460 26.273 -2.061 278 HA VAL 33 HA VAL 33 16.851 23.938 -2.270 279 HB VAL 33 HB VAL 33 17.431 26.109 -4.287 280 HG11 VAL 33 HG11 VAL 33 16.545 24.718 -5.791 281 HG12 VAL 33 HG12 VAL 33 16.018 23.580 -4.550 282 HG13 VAL 33 HG13 VAL 33 15.013 24.971 -4.955 283 HG21 VAL 33 HG21 VAL 33 15.881 27.326 -3.252 284 HG22 VAL 33 HG22 VAL 33 14.744 25.978 -3.241 285 HG23 VAL 33 HG23 VAL 33 15.923 26.147 -1.941 286 H GLU 34 H GLU 34 19.656 25.106 -4.125 287 HA GLU 34 HA GLU 34 19.804 22.722 -5.709 288 HB2 GLU 34 HB2 GLU 34 20.687 25.200 -6.141 289 HB3 GLU 34 HB3 GLU 34 22.154 24.530 -5.441 290 HG2 GLU 34 HG2 GLU 34 21.800 22.627 -7.167 291 HG3 GLU 34 HG3 GLU 34 20.768 23.802 -7.980 292 H ALA 35 H ALA 35 20.580 23.354 -2.553 293 HA ALA 35 HA ALA 35 23.042 21.919 -2.328 294 HB1 ALA 35 HB1 ALA 35 21.176 23.262 -0.518 295 HB2 ALA 35 HB2 ALA 35 21.973 21.851 0.179 296 HB3 ALA 35 HB3 ALA 35 22.937 23.175 -0.477 297 H ALA 36 H ALA 36 19.656 21.077 -2.220 298 HA ALA 36 HA ALA 36 20.165 18.417 -1.188 299 HB1 ALA 36 HB1 ALA 36 17.532 18.696 -2.269 300 HB2 ALA 36 HB2 ALA 36 18.033 18.516 -0.587 301 HB3 ALA 36 HB3 ALA 36 17.929 20.122 -1.309 302 HA PRO 37 HA PRO 37 20.548 16.242 -4.980 303 HB2 PRO 37 HB2 PRO 37 19.101 13.992 -4.519 304 HB3 PRO 37 HB3 PRO 37 20.662 14.304 -3.750 305 HG2 PRO 37 HG2 PRO 37 17.902 14.682 -2.655 306 HG3 PRO 37 HG3 PRO 37 19.336 14.000 -1.865 307 HD2 PRO 37 HD2 PRO 37 18.508 16.543 -1.438 308 HD3 PRO 37 HD3 PRO 37 20.221 16.077 -1.397 309 H GLU 38 H GLU 38 19.106 14.852 -6.580 310 HA GLU 38 HA GLU 38 17.227 16.622 -7.707 311 HB2 GLU 38 HB2 GLU 38 18.625 14.709 -8.797 312 HB3 GLU 38 HB3 GLU 38 17.260 13.693 -8.354 313 HG2 GLU 38 HG2 GLU 38 16.845 14.328 -10.559 314 HG3 GLU 38 HG3 GLU 38 15.808 15.371 -9.588 315 H GLU 39 H GLU 39 16.663 13.364 -6.359 316 HA GLU 39 HA GLU 39 13.918 13.360 -6.387 317 HB2 GLU 39 HB2 GLU 39 15.980 11.837 -5.123 318 HB3 GLU 39 HB3 GLU 39 14.706 12.134 -3.949 319 HG2 GLU 39 HG2 GLU 39 14.045 11.132 -6.685 320 HG3 GLU 39 HG3 GLU 39 14.596 10.027 -5.428 321 H THR 40 H THR 40 15.936 14.308 -3.601 322 HA THR 40 HA THR 40 13.886 15.194 -1.948 323 HB THR 40 HB THR 40 16.700 16.292 -2.101 324 HG1 THR 40 HG1 THR 40 17.020 14.733 -0.379 325 HG21 THR 40 HG21 THR 40 16.125 16.572 0.449 326 HG22 THR 40 HG22 THR 40 14.466 16.618 -0.148 327 HG23 THR 40 HG23 THR 40 15.642 17.801 -0.720 328 H ARG 41 H ARG 41 15.684 16.931 -4.447 329 HA ARG 41 HA ARG 41 14.743 19.507 -3.952 330 HB2 ARG 41 HB2 ARG 41 15.902 18.082 -6.274 331 HB3 ARG 41 HB3 ARG 41 15.005 19.550 -6.638 332 HG2 ARG 41 HG2 ARG 41 16.451 20.875 -5.322 333 HG3 ARG 41 HG3 ARG 41 17.200 19.454 -4.590 334 HD2 ARG 41 HD2 ARG 41 18.768 19.579 -6.162 335 HD3 ARG 41 HD3 ARG 41 17.535 19.109 -7.332 336 HE ARG 41 HE ARG 41 18.652 21.743 -6.937 337 HH11 ARG 41 HH11 ARG 41 16.029 19.871 -8.254 338 HH12 ARG 41 HH12 ARG 41 15.563 21.086 -9.397 339 HH21 ARG 41 HH21 ARG 41 18.048 23.351 -8.438 340 HH22 ARG 41 HH22 ARG 41 16.713 23.065 -9.502 341 H ALA 42 H ALA 42 13.380 16.952 -6.004 342 HA ALA 42 HA ALA 42 11.215 18.424 -7.016 343 HB1 ALA 42 HB1 ALA 42 12.197 15.987 -7.535 344 HB2 ALA 42 HB2 ALA 42 10.805 15.535 -6.551 345 HB3 ALA 42 HB3 ALA 42 10.577 16.496 -8.012 346 H LEU 43 H LEU 43 11.351 16.166 -4.261 347 HA LEU 43 HA LEU 43 8.686 16.491 -3.450 348 HB2 LEU 43 HB2 LEU 43 10.982 15.915 -1.598 349 HB3 LEU 43 HB3 LEU 43 9.301 15.413 -1.433 350 HG LEU 43 HG LEU 43 10.685 14.407 -3.831 351 HD11 LEU 43 HD11 LEU 43 12.481 13.587 -2.822 352 HD12 LEU 43 HD12 LEU 43 11.418 12.603 -1.817 353 HD13 LEU 43 HD13 LEU 43 11.936 14.193 -1.257 354 HD21 LEU 43 HD21 LEU 43 8.646 13.544 -1.865 355 HD22 LEU 43 HD22 LEU 43 9.599 12.280 -2.643 356 HD23 LEU 43 HD23 LEU 43 8.659 13.406 -3.623 357 H TYR 44 H TYR 44 11.646 18.145 -2.403 358 HA TYR 44 HA TYR 44 10.447 19.761 -0.438 359 HB2 TYR 44 HB2 TYR 44 12.714 19.825 -0.187 360 HB3 TYR 44 HB3 TYR 44 13.016 19.751 -1.919 361 HD1 TYR 44 HD1 TYR 44 11.405 22.134 0.479 362 HD2 TYR 44 HD2 TYR 44 14.055 21.599 -2.807 363 HE1 TYR 44 HE1 TYR 44 11.863 24.550 0.463 364 HE2 TYR 44 HE2 TYR 44 14.521 24.014 -2.831 365 HH TYR 44 HH TYR 44 12.651 26.262 -1.274 366 H ARG 45 H ARG 45 11.503 20.684 -3.721 367 HA ARG 45 HA ARG 45 10.357 23.216 -3.753 368 HB2 ARG 45 HB2 ARG 45 11.903 21.862 -5.474 369 HB3 ARG 45 HB3 ARG 45 10.357 21.675 -6.293 370 HG2 ARG 45 HG2 ARG 45 10.684 23.664 -7.204 371 HG3 ARG 45 HG3 ARG 45 10.491 24.371 -5.598 372 HD2 ARG 45 HD2 ARG 45 13.009 23.740 -5.333 373 HD3 ARG 45 HD3 ARG 45 12.990 23.709 -7.096 374 HE ARG 45 HE ARG 45 12.963 26.016 -5.429 375 HH11 ARG 45 HH11 ARG 45 11.805 24.754 -8.460 376 HH12 ARG 45 HH12 ARG 45 11.692 26.310 -9.214 377 HH21 ARG 45 HH21 ARG 45 12.819 28.070 -6.411 378 HH22 ARG 45 HH22 ARG 45 12.270 28.195 -8.048 379 H GLU 46 H GLU 46 8.891 20.102 -4.103 380 HA GLU 46 HA GLU 46 6.509 20.953 -5.409 381 HB2 GLU 46 HB2 GLU 46 7.149 18.632 -5.514 382 HB3 GLU 46 HB3 GLU 46 7.134 18.500 -3.761 383 HG2 GLU 46 HG2 GLU 46 5.171 17.462 -4.737 384 HG3 GLU 46 HG3 GLU 46 4.726 18.846 -3.740 385 H TYR 47 H TYR 47 7.178 20.063 -2.021 386 HA TYR 47 HA TYR 47 4.631 20.948 -1.095 387 HB2 TYR 47 HB2 TYR 47 5.850 19.221 0.109 388 HB3 TYR 47 HB3 TYR 47 7.182 20.331 0.412 389 HD1 TYR 47 HD2 TYR 47 6.868 22.235 1.978 390 HD2 TYR 47 HD1 TYR 47 3.897 19.231 1.476 391 HE1 TYR 47 HE2 TYR 47 5.809 22.939 4.084 392 HE2 TYR 47 HE1 TYR 47 2.829 19.927 3.580 393 HH TYR 47 HH TYR 47 3.213 22.707 5.004 394 H ARG 48 H ARG 48 7.722 22.456 -1.564 395 HA ARG 48 HA ARG 48 7.242 24.711 0.127 396 HB2 ARG 48 HB2 ARG 48 9.515 24.183 -0.313 397 HB3 ARG 48 HB3 ARG 48 9.247 24.146 -2.050 398 HG2 ARG 48 HG2 ARG 48 10.469 26.143 -1.332 399 HG3 ARG 48 HG3 ARG 48 8.925 26.541 -2.088 400 HD2 ARG 48 HD2 ARG 48 9.530 27.810 0.030 401 HD3 ARG 48 HD3 ARG 48 7.930 27.071 -0.027 402 HE ARG 48 HE ARG 48 9.957 25.427 1.197 403 HH11 ARG 48 HH11 ARG 48 7.546 27.888 1.699 404 HH12 ARG 48 HH12 ARG 48 7.351 27.537 3.385 405 HH21 ARG 48 HH21 ARG 48 9.710 24.955 3.414 406 HH22 ARG 48 HH22 ARG 48 8.583 25.869 4.359 407 H THR 49 H THR 49 7.031 24.130 -3.367 408 HA THR 49 HA THR 49 6.185 26.775 -4.001 409 HB THR 49 HB THR 49 5.927 24.218 -5.595 410 HG1 THR 49 HG1 THR 49 7.915 26.186 -5.313 411 HG21 THR 49 HG21 THR 49 5.935 26.142 -7.455 412 HG22 THR 49 HG22 THR 49 5.134 27.019 -6.150 413 HG23 THR 49 HG23 THR 49 4.449 25.508 -6.748 414 H LEU 50 H LEU 50 4.510 23.738 -3.357 415 HA LEU 50 HA LEU 50 1.921 24.675 -4.060 416 HB2 LEU 50 HB2 LEU 50 2.828 22.255 -3.745 417 HB3 LEU 50 HB3 LEU 50 2.380 22.502 -2.059 418 HG LEU 50 HG LEU 50 0.659 21.286 -3.312 419 HD11 LEU 50 HD11 LEU 50 -0.581 23.931 -2.786 420 HD12 LEU 50 HD12 LEU 50 0.255 23.126 -1.459 421 HD13 LEU 50 HD13 LEU 50 -1.085 22.320 -2.274 422 HD21 LEU 50 HD21 LEU 50 -0.288 21.997 -5.241 423 HD22 LEU 50 HD22 LEU 50 1.265 22.814 -5.420 424 HD23 LEU 50 HD23 LEU 50 -0.135 23.703 -4.819 425 H LYS 51 H LYS 51 3.653 24.379 -0.981 426 HA LYS 51 HA LYS 51 1.517 25.322 0.631 427 HB2 LYS 51 HB2 LYS 51 3.415 24.002 1.510 428 HB3 LYS 51 HB3 LYS 51 4.488 25.359 1.196 429 HG2 LYS 51 HG2 LYS 51 2.868 26.678 2.726 430 HG3 LYS 51 HG3 LYS 51 2.354 25.078 3.267 431 HD2 LYS 51 HD2 LYS 51 4.165 24.868 4.545 432 HD3 LYS 51 HD3 LYS 51 5.227 25.236 3.183 433 HE2 LYS 51 HE2 LYS 51 5.354 27.459 3.708 434 HE3 LYS 51 HE3 LYS 51 3.766 27.482 4.472 435 HZ1 LYS 51 HZ1 LYS 51 4.603 26.627 6.432 436 HZ2 LYS 51 HZ2 LYS 51 5.847 27.662 5.940 437 HZ3 LYS 51 HZ3 LYS 51 5.993 25.993 5.703 438 H ARG 52 H ARG 52 4.301 26.899 -0.878 439 HA ARG 52 HA ARG 52 3.871 29.449 0.276 440 HB2 ARG 52 HB2 ARG 52 5.422 28.454 -2.093 441 HB3 ARG 52 HB3 ARG 52 5.253 30.180 -1.805 442 HG2 ARG 52 HG2 ARG 52 6.187 28.437 0.419 443 HG3 ARG 52 HG3 ARG 52 7.308 28.853 -0.879 444 HD2 ARG 52 HD2 ARG 52 7.617 30.493 0.787 445 HD3 ARG 52 HD3 ARG 52 6.662 31.267 -0.478 446 HE ARG 52 HE ARG 52 5.097 30.104 1.643 447 HH11 ARG 52 HH11 ARG 52 6.791 32.934 0.530 448 HH12 ARG 52 HH12 ARG 52 5.880 34.028 1.516 449 HH21 ARG 52 HH21 ARG 52 3.890 31.534 2.947 450 HH22 ARG 52 HH22 ARG 52 4.230 33.230 2.892 451 H THR 53 H THR 53 2.810 27.955 -2.744 452 HA THR 53 HA THR 53 1.613 30.279 -3.838 453 HB THR 53 HB THR 53 1.075 27.358 -4.402 454 HG1 THR 53 HG1 THR 53 2.290 28.118 -6.388 455 HG21 THR 53 HG21 THR 53 0.240 28.442 -6.627 456 HG22 THR 53 HG22 THR 53 -0.011 29.867 -5.618 457 HG23 THR 53 HG23 THR 53 -0.839 28.358 -5.235 458 H THR 54 H THR 54 0.173 27.432 -2.243 459 HA THR 54 HA THR 54 -2.454 28.463 -2.187 460 HB THR 54 HB THR 54 -1.858 26.045 -1.910 461 HG1 THR 54 HG1 THR 54 -3.473 27.221 0.128 462 HG21 THR 54 HG21 THR 54 -0.716 25.249 -0.142 463 HG22 THR 54 HG22 THR 54 -1.549 26.309 0.994 464 HG23 THR 54 HG23 THR 54 -0.181 26.916 0.063 465 H GLY 55 H GLY 55 0.306 28.961 -0.153 466 HA2 GLY 55 HA2 GLY 55 0.496 30.789 1.334 467 HA3 GLY 55 HA3 GLY 55 -1.257 30.855 1.440 468 H GLN 56 H GLN 56 -1.585 28.025 1.960 469 HA GLN 56 HA GLN 56 -1.741 26.601 3.725 470 HB2 GLN 56 HB2 GLN 56 0.883 26.913 3.373 471 HB3 GLN 56 HB3 GLN 56 0.756 27.638 4.970 472 HG2 GLN 56 HG2 GLN 56 1.337 25.277 5.095 473 HG3 GLN 56 HG3 GLN 56 -0.225 25.602 5.845 474 HE21 GLN 56 HE21 GLN 56 -2.019 24.632 5.066 475 HE22 GLN 56 HE22 GLN 56 -2.023 23.507 3.755 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.124 -0.292 -0.687 2 HA2 GLY 1 HA2 GLY 1 2.392 -0.400 0.103 3 HA3 GLY 1 HA3 GLY 1 2.479 -0.468 -1.651 4 H SER 2 H SER 2 4.416 0.527 -1.953 5 HA SER 2 HA SER 2 5.956 2.198 -2.097 6 HB2 SER 2 HB2 SER 2 3.915 4.318 -1.668 7 HB3 SER 2 HB3 SER 2 5.152 4.180 -2.917 8 HG SER 2 HG SER 2 3.869 2.670 -3.973 9 H MET 3 H MET 3 5.698 1.108 0.436 10 HA MET 3 HA MET 3 5.363 3.019 2.487 11 HB2 MET 3 HB2 MET 3 5.777 0.292 2.374 12 HB3 MET 3 HB3 MET 3 7.267 0.885 3.094 13 HG2 MET 3 HG2 MET 3 4.968 2.142 4.291 14 HG3 MET 3 HG3 MET 3 4.854 0.386 4.377 15 HE1 MET 3 HE1 MET 3 4.678 0.829 6.862 16 HE2 MET 3 HE2 MET 3 5.683 -0.618 6.787 17 HE3 MET 3 HE3 MET 3 6.101 0.690 7.894 18 H GLU 4 H GLU 4 8.332 1.663 1.048 19 HA GLU 4 HA GLU 4 10.196 3.148 2.438 20 HB2 GLU 4 HB2 GLU 4 11.610 2.905 0.319 21 HB3 GLU 4 HB3 GLU 4 11.031 1.427 1.075 22 HG2 GLU 4 HG2 GLU 4 9.316 1.176 -0.567 23 HG3 GLU 4 HG3 GLU 4 9.668 2.763 -1.249 24 H ARG 5 H ARG 5 8.395 4.035 -0.473 25 HA ARG 5 HA ARG 5 9.714 6.477 -0.963 26 HB2 ARG 5 HB2 ARG 5 6.894 5.636 -1.661 27 HB3 ARG 5 HB3 ARG 5 7.726 7.034 -2.328 28 HG2 ARG 5 HG2 ARG 5 8.622 4.176 -2.641 29 HG3 ARG 5 HG3 ARG 5 7.731 5.106 -3.848 30 HD2 ARG 5 HD2 ARG 5 9.667 6.807 -3.614 31 HD3 ARG 5 HD3 ARG 5 10.542 5.465 -2.878 32 HE ARG 5 HE ARG 5 9.390 4.692 -5.353 33 HH11 ARG 5 HH11 ARG 5 12.023 6.508 -3.979 34 HH12 ARG 5 HH12 ARG 5 13.064 6.284 -5.346 35 HH21 ARG 5 HH21 ARG 5 10.751 4.389 -7.159 36 HH22 ARG 5 HH22 ARG 5 12.339 5.079 -7.154 37 H LEU 6 H LEU 6 6.576 5.843 0.610 38 HA LEU 6 HA LEU 6 6.011 8.461 1.364 39 HB2 LEU 6 HB2 LEU 6 5.073 5.795 2.055 40 HB3 LEU 6 HB3 LEU 6 4.968 6.922 3.406 41 HG LEU 6 HG LEU 6 3.868 7.800 0.789 42 HD11 LEU 6 HD11 LEU 6 1.685 6.692 1.488 43 HD12 LEU 6 HD12 LEU 6 2.674 5.653 2.513 44 HD13 LEU 6 HD13 LEU 6 2.919 5.658 0.767 45 HD21 LEU 6 HD21 LEU 6 2.531 8.057 3.437 46 HD22 LEU 6 HD22 LEU 6 2.557 9.173 2.072 47 HD23 LEU 6 HD23 LEU 6 3.972 9.022 3.115 48 H ARG 7 H ARG 7 7.906 5.978 3.010 49 HA ARG 7 HA ARG 7 8.281 7.343 5.439 50 HB2 ARG 7 HB2 ARG 7 8.762 4.934 5.090 51 HB3 ARG 7 HB3 ARG 7 10.150 5.376 4.105 52 HG2 ARG 7 HG2 ARG 7 11.342 5.260 5.974 53 HG3 ARG 7 HG3 ARG 7 10.560 6.769 6.448 54 HD2 ARG 7 HD2 ARG 7 9.824 5.643 8.231 55 HD3 ARG 7 HD3 ARG 7 8.690 4.874 7.122 56 HE ARG 7 HE ARG 7 9.844 2.924 7.382 57 HH11 ARG 7 HH11 ARG 7 11.893 5.567 8.348 58 HH12 ARG 7 HH12 ARG 7 13.166 4.542 8.922 59 HH21 ARG 7 HH21 ARG 7 11.513 1.563 8.134 60 HH22 ARG 7 HH22 ARG 7 12.949 2.265 8.799 61 H ASP 8 H ASP 8 10.434 7.093 2.607 62 HA ASP 8 HA ASP 8 12.399 8.857 3.553 63 HB2 ASP 8 HB2 ASP 8 11.615 8.163 0.715 64 HB3 ASP 8 HB3 ASP 8 13.074 9.044 1.158 65 H VAL 9 H VAL 9 9.647 9.444 1.374 66 HA VAL 9 HA VAL 9 10.093 12.170 0.949 67 HB VAL 9 HB VAL 9 7.452 10.703 1.013 68 HG11 VAL 9 HG11 VAL 9 7.189 12.735 -0.789 69 HG12 VAL 9 HG12 VAL 9 6.605 12.774 0.876 70 HG13 VAL 9 HG13 VAL 9 8.166 13.489 0.471 71 HG21 VAL 9 HG21 VAL 9 9.637 10.430 -0.724 72 HG22 VAL 9 HG22 VAL 9 8.006 9.794 -0.939 73 HG23 VAL 9 HG23 VAL 9 8.432 11.372 -1.602 74 H ARG 10 H ARG 10 7.778 10.666 3.214 75 HA ARG 10 HA ARG 10 6.915 12.953 4.493 76 HB2 ARG 10 HB2 ARG 10 5.991 10.653 4.807 77 HB3 ARG 10 HB3 ARG 10 7.379 10.278 5.820 78 HG2 ARG 10 HG2 ARG 10 6.658 11.622 7.543 79 HG3 ARG 10 HG3 ARG 10 5.671 12.630 6.483 80 HD2 ARG 10 HD2 ARG 10 4.788 9.879 6.443 81 HD3 ARG 10 HD3 ARG 10 4.808 10.520 8.086 82 HE ARG 10 HE ARG 10 3.578 12.349 6.302 83 HH11 ARG 10 HH11 ARG 10 3.034 9.353 7.990 84 HH12 ARG 10 HH12 ARG 10 1.314 9.551 8.054 85 HH21 ARG 10 HH21 ARG 10 1.315 12.621 6.380 86 HH22 ARG 10 HH22 ARG 10 0.337 11.409 7.138 87 H GLU 11 H GLU 11 9.772 10.984 5.189 88 HA GLU 11 HA GLU 11 10.561 12.414 7.505 89 HB2 GLU 11 HB2 GLU 11 11.345 10.125 6.943 90 HB3 GLU 11 HB3 GLU 11 12.285 10.799 5.619 91 HG2 GLU 11 HG2 GLU 11 13.903 11.563 6.975 92 HG3 GLU 11 HG3 GLU 11 12.773 12.009 8.251 93 H ARG 12 H ARG 12 11.396 12.698 4.082 94 HA ARG 12 HA ARG 12 13.425 14.618 4.342 95 HB2 ARG 12 HB2 ARG 12 11.536 13.942 2.096 96 HB3 ARG 12 HB3 ARG 12 12.747 15.207 1.940 97 HG2 ARG 12 HG2 ARG 12 13.531 12.449 2.790 98 HG3 ARG 12 HG3 ARG 12 13.287 12.838 1.086 99 HD2 ARG 12 HD2 ARG 12 15.050 14.357 1.054 100 HD3 ARG 12 HD3 ARG 12 15.044 14.545 2.807 101 HE ARG 12 HE ARG 12 16.475 12.593 1.299 102 HH11 ARG 12 HH11 ARG 12 14.886 13.175 4.341 103 HH12 ARG 12 HH12 ARG 12 15.834 12.013 5.208 104 HH21 ARG 12 HH21 ARG 12 17.730 11.060 2.429 105 HH22 ARG 12 HH22 ARG 12 17.452 10.811 4.119 106 H LEU 13 H LEU 13 9.938 15.002 3.767 107 HA LEU 13 HA LEU 13 9.953 17.817 3.645 108 HB2 LEU 13 HB2 LEU 13 8.080 15.805 3.339 109 HB3 LEU 13 HB3 LEU 13 7.517 16.687 4.757 110 HG LEU 13 HG LEU 13 8.022 17.863 2.023 111 HD11 LEU 13 HD11 LEU 13 5.804 17.718 1.593 112 HD12 LEU 13 HD12 LEU 13 5.350 17.854 3.291 113 HD13 LEU 13 HD13 LEU 13 5.941 16.318 2.658 114 HD21 LEU 13 HD21 LEU 13 6.465 19.507 3.761 115 HD22 LEU 13 HD22 LEU 13 8.000 19.868 2.970 116 HD23 LEU 13 HD23 LEU 13 7.985 19.100 4.558 117 H GLN 14 H GLN 14 9.035 15.644 6.321 118 HA GLN 14 HA GLN 14 8.515 17.540 8.254 119 HB2 GLN 14 HB2 GLN 14 9.773 14.812 8.571 120 HB3 GLN 14 HB3 GLN 14 9.163 15.779 9.907 121 HG2 GLN 14 HG2 GLN 14 7.371 15.127 7.615 122 HG3 GLN 14 HG3 GLN 14 7.690 13.916 8.856 123 HE21 GLN 14 HE21 GLN 14 5.157 14.886 8.400 124 HE22 GLN 14 HE22 GLN 14 4.650 15.827 9.757 125 H ALA 15 H ALA 15 11.604 15.775 7.962 126 HA ALA 15 HA ALA 15 13.074 17.276 9.753 127 HB1 ALA 15 HB1 ALA 15 13.871 15.183 8.783 128 HB2 ALA 15 HB2 ALA 15 14.075 15.978 7.221 129 HB3 ALA 15 HB3 ALA 15 15.066 16.467 8.595 130 H TRP 16 H TRP 16 12.603 17.839 6.281 131 HA TRP 16 HA TRP 16 14.324 19.954 5.887 132 HB2 TRP 16 HB2 TRP 16 13.202 19.040 3.999 133 HB3 TRP 16 HB3 TRP 16 11.616 19.376 4.689 134 HD1 TRP 16 HD1 TRP 16 10.479 21.313 3.487 135 HE1 TRP 16 HE1 TRP 16 11.235 23.502 2.365 136 HE3 TRP 16 HE3 TRP 16 15.517 20.924 4.262 137 HZ2 TRP 16 HZ2 TRP 16 13.648 24.881 1.872 138 HZ3 TRP 16 HZ3 TRP 16 16.980 22.720 3.433 139 HH2 TRP 16 HH2 TRP 16 16.063 24.657 2.263 140 H GLU 17 H GLU 17 10.830 20.532 6.204 141 HA GLU 17 HA GLU 17 10.964 23.205 6.831 142 HB2 GLU 17 HB2 GLU 17 8.722 22.999 7.734 143 HB3 GLU 17 HB3 GLU 17 8.879 21.995 6.300 144 HG2 GLU 17 HG2 GLU 17 9.049 20.012 7.625 145 HG3 GLU 17 HG3 GLU 17 9.123 20.957 9.111 146 H ARG 18 H ARG 18 11.470 20.452 8.917 147 HA ARG 18 HA ARG 18 11.194 21.626 11.420 148 HB2 ARG 18 HB2 ARG 18 12.350 19.220 10.335 149 HB3 ARG 18 HB3 ARG 18 13.385 19.866 11.601 150 HG2 ARG 18 HG2 ARG 18 10.529 19.813 12.263 151 HG3 ARG 18 HG3 ARG 18 11.269 18.230 12.018 152 HD2 ARG 18 HD2 ARG 18 12.989 18.761 13.653 153 HD3 ARG 18 HD3 ARG 18 12.309 20.374 13.867 154 HE ARG 18 HE ARG 18 10.450 18.240 14.390 155 HH11 ARG 18 HH11 ARG 18 12.931 20.283 15.729 156 HH12 ARG 18 HH12 ARG 18 12.376 20.109 17.361 157 HH21 ARG 18 HH21 ARG 18 9.709 18.004 16.535 158 HH22 ARG 18 HH22 ARG 18 10.544 18.812 17.818 159 H ALA 19 H ALA 19 14.381 20.922 10.002 160 HA ALA 19 HA ALA 19 15.700 22.857 11.598 161 HB1 ALA 19 HB1 ALA 19 17.520 22.413 9.707 162 HB2 ALA 19 HB2 ALA 19 17.183 21.249 10.988 163 HB3 ALA 19 HB3 ALA 19 16.467 21.034 9.391 164 H PHE 20 H PHE 20 14.184 22.962 8.473 165 HA PHE 20 HA PHE 20 15.447 25.217 7.392 166 HB2 PHE 20 HB2 PHE 20 14.128 24.024 5.878 167 HB3 PHE 20 HB3 PHE 20 12.759 23.947 6.983 168 HD1 PHE 20 HD2 PHE 20 14.814 26.557 5.275 169 HD2 PHE 20 HD1 PHE 20 10.943 25.228 6.446 170 HE1 PHE 20 HE2 PHE 20 13.811 28.507 4.161 171 HE2 PHE 20 HE1 PHE 20 9.934 27.177 5.332 172 HZ PHE 20 HZ PHE 20 11.368 28.820 4.189 173 H ARG 21 H ARG 21 12.127 25.212 8.681 174 HA ARG 21 HA ARG 21 12.032 27.995 9.061 175 HB2 ARG 21 HB2 ARG 21 9.975 26.815 8.876 176 HB3 ARG 21 HB3 ARG 21 10.392 25.739 10.203 177 HG2 ARG 21 HG2 ARG 21 9.785 27.232 11.792 178 HG3 ARG 21 HG3 ARG 21 10.259 28.627 10.819 179 HD2 ARG 21 HD2 ARG 21 8.241 28.761 9.781 180 HD3 ARG 21 HD3 ARG 21 7.969 27.020 9.849 181 HE ARG 21 HE ARG 21 7.861 28.309 12.416 182 HH11 ARG 21 HH11 ARG 21 6.057 27.448 9.566 183 HH12 ARG 21 HH12 ARG 21 4.522 27.475 10.370 184 HH21 ARG 21 HH21 ARG 21 5.847 28.348 13.486 185 HH22 ARG 21 HH22 ARG 21 4.404 27.988 12.599 186 H ARG 22 H ARG 22 13.572 25.569 10.860 187 HA ARG 22 HA ARG 22 13.381 26.652 13.465 188 HB2 ARG 22 HB2 ARG 22 14.903 24.551 12.120 189 HB3 ARG 22 HB3 ARG 22 15.817 25.351 13.392 190 HG2 ARG 22 HG2 ARG 22 13.081 24.149 13.755 191 HG3 ARG 22 HG3 ARG 22 14.598 23.343 14.156 192 HD2 ARG 22 HD2 ARG 22 14.355 26.023 15.293 193 HD3 ARG 22 HD3 ARG 22 13.116 24.902 15.857 194 HE ARG 22 HE ARG 22 15.634 23.656 15.997 195 HH11 ARG 22 HH11 ARG 22 13.785 26.178 17.529 196 HH12 ARG 22 HH12 ARG 22 14.576 26.006 19.061 197 HH21 ARG 22 HH21 ARG 22 16.683 23.421 18.009 198 HH22 ARG 22 HH22 ARG 22 16.225 24.439 19.333 199 H GLN 23 H GLN 23 16.073 26.784 11.124 200 HA GLN 23 HA GLN 23 17.182 29.060 12.589 201 HB2 GLN 23 HB2 GLN 23 18.363 27.441 10.325 202 HB3 GLN 23 HB3 GLN 23 19.191 28.710 11.218 203 HG2 GLN 23 HG2 GLN 23 18.144 26.165 12.435 204 HG3 GLN 23 HG3 GLN 23 19.811 26.427 11.925 205 HE21 GLN 23 HE21 GLN 23 19.255 25.725 14.498 206 HE22 GLN 23 HE22 GLN 23 19.569 27.056 15.553 207 H ARG 24 H ARG 24 16.244 28.142 9.287 208 HA ARG 24 HA ARG 24 16.722 30.669 8.126 209 HB2 ARG 24 HB2 ARG 24 14.666 28.685 7.164 210 HB3 ARG 24 HB3 ARG 24 15.577 29.849 6.211 211 HG2 ARG 24 HG2 ARG 24 16.661 27.388 7.564 212 HG3 ARG 24 HG3 ARG 24 16.438 27.636 5.831 213 HD2 ARG 24 HD2 ARG 24 18.489 28.476 5.718 214 HD3 ARG 24 HD3 ARG 24 17.981 29.798 6.768 215 HE ARG 24 HE ARG 24 19.150 28.831 8.475 216 HH11 ARG 24 HH11 ARG 24 18.628 26.457 5.983 217 HH12 ARG 24 HH12 ARG 24 19.630 25.259 6.732 218 HH21 ARG 24 HH21 ARG 24 20.472 27.262 9.472 219 HH22 ARG 24 HH22 ARG 24 20.677 25.717 8.717 220 H GLY 25 H GLY 25 13.530 29.164 8.672 221 HA2 GLY 25 HA2 GLY 25 11.538 30.073 9.372 222 HA3 GLY 25 HA3 GLY 25 12.465 31.392 10.070 223 H ARG 26 H ARG 26 12.474 30.478 6.671 224 HA ARG 26 HA ARG 26 10.527 32.198 5.699 225 HB2 ARG 26 HB2 ARG 26 12.771 33.621 6.689 226 HB3 ARG 26 HB3 ARG 26 12.828 33.722 4.935 227 HG2 ARG 26 HG2 ARG 26 10.607 34.649 4.868 228 HG3 ARG 26 HG3 ARG 26 10.431 34.432 6.611 229 HD2 ARG 26 HD2 ARG 26 12.794 35.967 5.775 230 HD3 ARG 26 HD3 ARG 26 11.245 36.729 5.416 231 HE ARG 26 HE ARG 26 11.233 35.806 8.072 232 HH11 ARG 26 HH11 ARG 26 12.700 38.255 6.078 233 HH12 ARG 26 HH12 ARG 26 12.904 39.378 7.381 234 HH21 ARG 26 HH21 ARG 26 11.497 37.277 9.795 235 HH22 ARG 26 HH22 ARG 26 12.220 38.820 9.495 236 H ARG 27 H ARG 27 10.762 32.628 3.346 237 HA ARG 27 HA ARG 27 11.334 30.400 1.888 238 HB2 ARG 27 HB2 ARG 27 10.616 33.070 1.320 239 HB3 ARG 27 HB3 ARG 27 11.985 32.694 0.282 240 HG2 ARG 27 HG2 ARG 27 10.208 30.488 0.206 241 HG3 ARG 27 HG3 ARG 27 9.266 31.961 -0.032 242 HD2 ARG 27 HD2 ARG 27 10.020 31.131 -2.169 243 HD3 ARG 27 HD3 ARG 27 10.844 32.646 -1.800 244 HE ARG 27 HE ARG 27 12.498 30.633 -0.893 245 HH11 ARG 27 HH11 ARG 27 11.122 31.622 -3.935 246 HH12 ARG 27 HH12 ARG 27 12.442 31.014 -4.878 247 HH21 ARG 27 HH21 ARG 27 14.242 29.828 -2.125 248 HH22 ARG 27 HH22 ARG 27 14.215 29.993 -3.848 249 HA PRO 28 HA PRO 28 15.768 30.124 2.112 250 HB2 PRO 28 HB2 PRO 28 16.004 27.960 0.490 251 HB3 PRO 28 HB3 PRO 28 15.465 27.847 2.170 252 HG2 PRO 28 HG2 PRO 28 13.839 27.868 -0.344 253 HG3 PRO 28 HG3 PRO 28 13.659 26.850 1.097 254 HD2 PRO 28 HD2 PRO 28 12.105 29.021 0.643 255 HD3 PRO 28 HD3 PRO 28 12.560 28.497 2.277 256 H SER 29 H SER 29 17.402 29.358 0.145 257 HA SER 29 HA SER 29 16.803 31.139 -2.124 258 HB2 SER 29 HB2 SER 29 19.118 31.883 -2.146 259 HB3 SER 29 HB3 SER 29 18.429 32.176 -0.550 260 HG SER 29 HG SER 29 19.693 30.678 0.293 261 H GLN 30 H GLN 30 18.786 30.712 -3.804 262 HA GLN 30 HA GLN 30 18.271 28.124 -4.836 263 HB2 GLN 30 HB2 GLN 30 19.901 30.465 -5.627 264 HB3 GLN 30 HB3 GLN 30 20.414 28.912 -6.274 265 HG2 GLN 30 HG2 GLN 30 18.265 28.563 -7.286 266 HG3 GLN 30 HG3 GLN 30 17.629 30.021 -6.526 267 HE21 GLN 30 HE21 GLN 30 19.255 31.961 -6.981 268 HE22 GLN 30 HE22 GLN 30 19.600 32.187 -8.659 269 H ASP 31 H ASP 31 20.557 29.316 -2.597 270 HA ASP 31 HA ASP 31 22.629 27.416 -3.046 271 HB2 ASP 31 HB2 ASP 31 21.946 29.335 -0.852 272 HB3 ASP 31 HB3 ASP 31 23.158 28.090 -0.559 273 H ASP 32 H ASP 32 19.937 27.595 -0.739 274 HA ASP 32 HA ASP 32 20.556 25.046 0.432 275 HB2 ASP 32 HB2 ASP 32 19.220 27.158 1.378 276 HB3 ASP 32 HB3 ASP 32 17.851 26.246 0.748 277 H VAL 33 H VAL 33 18.351 26.251 -2.022 278 HA VAL 33 HA VAL 33 16.776 23.912 -2.267 279 HB VAL 33 HB VAL 33 17.336 26.091 -4.284 280 HG11 VAL 33 HG11 VAL 33 15.805 23.600 -4.465 281 HG12 VAL 33 HG12 VAL 33 14.912 25.043 -4.949 282 HG13 VAL 33 HG13 VAL 33 16.436 24.641 -5.741 283 HG21 VAL 33 HG21 VAL 33 15.847 27.334 -3.197 284 HG22 VAL 33 HG22 VAL 33 14.676 26.016 -3.181 285 HG23 VAL 33 HG23 VAL 33 15.880 26.141 -1.899 286 H GLU 34 H GLU 34 19.548 25.107 -4.157 287 HA GLU 34 HA GLU 34 19.683 22.730 -5.755 288 HB2 GLU 34 HB2 GLU 34 20.493 25.168 -6.286 289 HB3 GLU 34 HB3 GLU 34 21.968 24.645 -5.486 290 HG2 GLU 34 HG2 GLU 34 21.370 22.597 -7.265 291 HG3 GLU 34 HG3 GLU 34 21.014 24.081 -8.147 292 H ALA 35 H ALA 35 20.493 23.334 -2.611 293 HA ALA 35 HA ALA 35 22.984 21.945 -2.429 294 HB1 ALA 35 HB1 ALA 35 21.765 21.833 0.076 295 HB2 ALA 35 HB2 ALA 35 22.937 23.025 -0.488 296 HB3 ALA 35 HB3 ALA 35 21.209 23.345 -0.642 297 H ALA 36 H ALA 36 19.610 21.036 -2.259 298 HA ALA 36 HA ALA 36 20.201 18.364 -1.307 299 HB1 ALA 36 HB1 ALA 36 17.845 20.024 -1.572 300 HB2 ALA 36 HB2 ALA 36 17.565 18.387 -2.167 301 HB3 ALA 36 HB3 ALA 36 18.138 18.640 -0.519 302 HA PRO 37 HA PRO 37 20.511 16.285 -5.158 303 HB2 PRO 37 HB2 PRO 37 19.127 13.994 -4.705 304 HB3 PRO 37 HB3 PRO 37 20.704 14.323 -3.979 305 HG2 PRO 37 HG2 PRO 37 17.973 14.616 -2.789 306 HG3 PRO 37 HG3 PRO 37 19.445 13.948 -2.060 307 HD2 PRO 37 HD2 PRO 37 18.578 16.462 -1.548 308 HD3 PRO 37 HD3 PRO 37 20.300 16.032 -1.572 309 H GLU 38 H GLU 38 19.162 15.089 -6.863 310 HA GLU 38 HA GLU 38 17.168 16.786 -7.827 311 HB2 GLU 38 HB2 GLU 38 16.656 14.928 -9.425 312 HB3 GLU 38 HB3 GLU 38 18.355 15.371 -9.351 313 HG2 GLU 38 HG2 GLU 38 18.675 13.455 -7.757 314 HG3 GLU 38 HG3 GLU 38 17.029 12.961 -8.147 315 H GLU 39 H GLU 39 16.869 13.630 -6.218 316 HA GLU 39 HA GLU 39 14.091 13.410 -6.320 317 HB2 GLU 39 HB2 GLU 39 16.268 12.086 -4.970 318 HB3 GLU 39 HB3 GLU 39 14.900 12.268 -3.880 319 HG2 GLU 39 HG2 GLU 39 13.456 11.229 -5.612 320 HG3 GLU 39 HG3 GLU 39 14.903 10.929 -6.573 321 H THR 40 H THR 40 16.021 14.407 -3.489 322 HA THR 40 HA THR 40 13.914 15.289 -1.916 323 HB THR 40 HB THR 40 16.650 16.564 -1.919 324 HG1 THR 40 HG1 THR 40 15.793 14.016 -1.092 325 HG21 THR 40 HG21 THR 40 16.018 16.401 0.642 326 HG22 THR 40 HG22 THR 40 14.376 16.385 -0.002 327 HG23 THR 40 HG23 THR 40 15.449 17.738 -0.356 328 H ARG 41 H ARG 41 15.743 17.007 -4.394 329 HA ARG 41 HA ARG 41 14.823 19.594 -3.930 330 HB2 ARG 41 HB2 ARG 41 15.894 18.134 -6.293 331 HB3 ARG 41 HB3 ARG 41 15.105 19.679 -6.580 332 HG2 ARG 41 HG2 ARG 41 16.650 20.794 -5.104 333 HG3 ARG 41 HG3 ARG 41 17.392 19.252 -4.670 334 HD2 ARG 41 HD2 ARG 41 18.815 19.536 -6.353 335 HD3 ARG 41 HD3 ARG 41 17.457 19.359 -7.464 336 HE ARG 41 HE ARG 41 17.735 22.021 -6.436 337 HH11 ARG 41 HH11 ARG 41 18.828 19.782 -8.868 338 HH12 ARG 41 HH12 ARG 41 19.298 21.021 -9.983 339 HH21 ARG 41 HH21 ARG 41 18.351 23.662 -7.897 340 HH22 ARG 41 HH22 ARG 41 19.028 23.227 -9.430 341 H ALA 42 H ALA 42 13.484 17.111 -6.105 342 HA ALA 42 HA ALA 42 11.302 18.593 -7.032 343 HB1 ALA 42 HB1 ALA 42 11.354 16.770 -8.320 344 HB2 ALA 42 HB2 ALA 42 12.144 15.804 -7.074 345 HB3 ALA 42 HB3 ALA 42 10.392 16.004 -7.055 346 H LEU 43 H LEU 43 11.470 16.250 -4.354 347 HA LEU 43 HA LEU 43 8.807 16.451 -3.536 348 HB2 LEU 43 HB2 LEU 43 11.344 15.699 -2.135 349 HB3 LEU 43 HB3 LEU 43 9.824 15.792 -1.248 350 HG LEU 43 HG LEU 43 10.411 13.972 -3.582 351 HD11 LEU 43 HD11 LEU 43 11.541 13.384 -1.454 352 HD12 LEU 43 HD12 LEU 43 10.359 12.186 -1.980 353 HD13 LEU 43 HD13 LEU 43 9.958 13.307 -0.678 354 HD21 LEU 43 HD21 LEU 43 8.213 12.954 -2.908 355 HD22 LEU 43 HD22 LEU 43 8.108 14.541 -3.670 356 HD23 LEU 43 HD23 LEU 43 7.935 14.390 -1.921 357 H TYR 44 H TYR 44 11.675 18.164 -2.298 358 HA TYR 44 HA TYR 44 10.343 19.742 -0.412 359 HB2 TYR 44 HB2 TYR 44 12.580 19.918 -0.052 360 HB3 TYR 44 HB3 TYR 44 12.971 19.800 -1.764 361 HD1 TYR 44 HD1 TYR 44 11.248 22.200 0.535 362 HD2 TYR 44 HD2 TYR 44 13.936 21.658 -2.718 363 HE1 TYR 44 HE1 TYR 44 11.643 24.627 0.465 364 HE2 TYR 44 HE2 TYR 44 14.340 24.083 -2.797 365 HH TYR 44 HH TYR 44 12.453 26.302 -1.543 366 H ARG 45 H ARG 45 11.418 20.652 -3.690 367 HA ARG 45 HA ARG 45 10.273 23.181 -3.765 368 HB2 ARG 45 HB2 ARG 45 11.039 21.187 -5.858 369 HB3 ARG 45 HB3 ARG 45 10.139 22.620 -6.335 370 HG2 ARG 45 HG2 ARG 45 11.874 24.047 -5.421 371 HG3 ARG 45 HG3 ARG 45 12.765 22.629 -4.863 372 HD2 ARG 45 HD2 ARG 45 13.855 22.920 -6.825 373 HD3 ARG 45 HD3 ARG 45 12.496 21.983 -7.446 374 HE ARG 45 HE ARG 45 11.810 24.697 -7.504 375 HH11 ARG 45 HH11 ARG 45 14.000 22.473 -9.046 376 HH12 ARG 45 HH12 ARG 45 14.059 23.360 -10.533 377 HH21 ARG 45 HH21 ARG 45 11.879 25.873 -9.457 378 HH22 ARG 45 HH22 ARG 45 12.853 25.294 -10.766 379 H GLU 46 H GLU 46 8.799 20.062 -4.050 380 HA GLU 46 HA GLU 46 6.399 20.906 -5.334 381 HB2 GLU 46 HB2 GLU 46 7.461 18.445 -4.169 382 HB3 GLU 46 HB3 GLU 46 5.734 18.638 -3.903 383 HG2 GLU 46 HG2 GLU 46 5.372 18.893 -6.289 384 HG3 GLU 46 HG3 GLU 46 7.106 18.760 -6.579 385 H TYR 47 H TYR 47 7.082 19.992 -1.953 386 HA TYR 47 HA TYR 47 4.561 20.891 -0.995 387 HB2 TYR 47 HB2 TYR 47 5.799 19.180 0.206 388 HB3 TYR 47 HB3 TYR 47 7.136 20.293 0.475 389 HD1 TYR 47 HD1 TYR 47 6.858 22.202 2.037 390 HD2 TYR 47 HD2 TYR 47 3.865 19.209 1.602 391 HE1 TYR 47 HE1 TYR 47 5.837 22.924 4.155 392 HE2 TYR 47 HE2 TYR 47 2.835 19.924 3.718 393 HH TYR 47 HH TYR 47 3.102 21.186 5.562 394 H ARG 48 H ARG 48 7.642 22.409 -1.507 395 HA ARG 48 HA ARG 48 7.150 24.681 0.165 396 HB2 ARG 48 HB2 ARG 48 9.423 24.226 -0.211 397 HB3 ARG 48 HB3 ARG 48 9.189 24.025 -1.943 398 HG2 ARG 48 HG2 ARG 48 8.577 26.687 -0.810 399 HG3 ARG 48 HG3 ARG 48 10.274 26.205 -0.869 400 HD2 ARG 48 HD2 ARG 48 9.241 25.480 -3.349 401 HD3 ARG 48 HD3 ARG 48 8.515 27.049 -3.004 402 HE ARG 48 HE ARG 48 11.110 27.471 -2.434 403 HH11 ARG 48 HH11 ARG 48 9.504 26.075 -5.190 404 HH12 ARG 48 HH12 ARG 48 10.717 26.583 -6.318 405 HH21 ARG 48 HH21 ARG 48 12.713 28.146 -3.910 406 HH22 ARG 48 HH22 ARG 48 12.542 27.760 -5.589 407 H THR 49 H THR 49 7.090 24.135 -3.351 408 HA THR 49 HA THR 49 6.213 26.741 -4.015 409 HB THR 49 HB THR 49 5.962 24.162 -5.575 410 HG1 THR 49 HG1 THR 49 7.871 24.778 -6.492 411 HG21 THR 49 HG21 THR 49 4.640 25.318 -6.958 412 HG22 THR 49 HG22 THR 49 6.053 26.299 -7.348 413 HG23 THR 49 HG23 THR 49 4.934 26.824 -6.090 414 H LEU 50 H LEU 50 4.524 23.758 -3.242 415 HA LEU 50 HA LEU 50 1.939 24.703 -4.009 416 HB2 LEU 50 HB2 LEU 50 2.868 22.394 -2.322 417 HB3 LEU 50 HB3 LEU 50 1.164 22.730 -2.622 418 HG LEU 50 HG LEU 50 3.080 22.315 -4.893 419 HD11 LEU 50 HD11 LEU 50 1.698 19.934 -4.543 420 HD12 LEU 50 HD12 LEU 50 2.266 20.357 -2.928 421 HD13 LEU 50 HD13 LEU 50 3.416 20.213 -4.258 422 HD21 LEU 50 HD21 LEU 50 0.133 22.377 -4.488 423 HD22 LEU 50 HD22 LEU 50 0.788 21.324 -5.742 424 HD23 LEU 50 HD23 LEU 50 1.111 23.058 -5.788 425 H LYS 51 H LYS 51 3.678 24.428 -0.936 426 HA LYS 51 HA LYS 51 1.526 25.431 0.646 427 HB2 LYS 51 HB2 LYS 51 3.300 24.008 1.586 428 HB3 LYS 51 HB3 LYS 51 4.481 25.272 1.270 429 HG2 LYS 51 HG2 LYS 51 2.210 26.191 2.846 430 HG3 LYS 51 HG3 LYS 51 3.126 24.894 3.617 431 HD2 LYS 51 HD2 LYS 51 4.404 27.366 2.462 432 HD3 LYS 51 HD3 LYS 51 3.897 27.234 4.147 433 HE2 LYS 51 HE2 LYS 51 5.539 25.003 3.179 434 HE3 LYS 51 HE3 LYS 51 6.360 26.563 3.202 435 HZ1 LYS 51 HZ1 LYS 51 6.718 25.560 5.293 436 HZ2 LYS 51 HZ2 LYS 51 5.086 25.157 5.479 437 HZ3 LYS 51 HZ3 LYS 51 5.570 26.776 5.553 438 H ARG 52 H ARG 52 4.106 26.871 -1.173 439 HA ARG 52 HA ARG 52 3.881 29.450 0.109 440 HB2 ARG 52 HB2 ARG 52 5.465 28.369 -2.202 441 HB3 ARG 52 HB3 ARG 52 5.362 30.103 -1.925 442 HG2 ARG 52 HG2 ARG 52 6.240 28.199 0.220 443 HG3 ARG 52 HG3 ARG 52 7.365 28.885 -0.954 444 HD2 ARG 52 HD2 ARG 52 5.602 30.441 0.935 445 HD3 ARG 52 HD3 ARG 52 7.336 30.184 1.115 446 HE ARG 52 HE ARG 52 7.134 31.340 -1.322 447 HH11 ARG 52 HH11 ARG 52 5.928 32.183 1.834 448 HH12 ARG 52 HH12 ARG 52 5.972 33.889 1.538 449 HH21 ARG 52 HH21 ARG 52 7.197 33.584 -1.723 450 HH22 ARG 52 HH22 ARG 52 6.694 34.685 -0.486 451 H THR 53 H THR 53 2.777 27.909 -2.856 452 HA THR 53 HA THR 53 1.650 30.329 -3.933 453 HB THR 53 HB THR 53 2.485 28.413 -5.345 454 HG1 THR 53 HG1 THR 53 0.898 28.787 -6.884 455 HG21 THR 53 HG21 THR 53 -0.161 27.146 -4.644 456 HG22 THR 53 HG22 THR 53 1.379 26.642 -3.947 457 HG23 THR 53 HG23 THR 53 1.104 26.492 -5.682 458 H THR 54 H THR 54 0.553 27.653 -1.987 459 HA THR 54 HA THR 54 -2.231 28.530 -2.205 460 HB THR 54 HB THR 54 -1.063 26.111 -0.815 461 HG1 THR 54 HG1 THR 54 -1.554 25.038 -2.622 462 HG21 THR 54 HG21 THR 54 -3.926 26.951 -1.276 463 HG22 THR 54 HG22 THR 54 -3.109 26.776 0.277 464 HG23 THR 54 HG23 THR 54 -3.430 25.355 -0.716 465 H GLY 55 H GLY 55 0.486 28.706 -0.105 466 HA2 GLY 55 HA2 GLY 55 0.771 29.891 1.850 467 HA3 GLY 55 HA3 GLY 55 -0.879 30.470 1.677 468 H GLN 56 H GLN 56 0.313 27.143 1.974 469 HA GLN 56 HA GLN 56 -1.547 26.741 4.189 470 HB2 GLN 56 HB2 GLN 56 -1.193 25.191 2.085 471 HB3 GLN 56 HB3 GLN 56 0.130 24.545 3.047 472 HG2 GLN 56 HG2 GLN 56 -1.248 23.535 4.521 473 HG3 GLN 56 HG3 GLN 56 -2.476 24.795 4.406 474 HE21 GLN 56 HE21 GLN 56 -1.300 21.811 3.120 475 HE22 GLN 56 HE22 GLN 56 -2.649 21.477 2.095 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.598 -2.856 -1.904 2 HA2 GLY 1 HA2 GLY 1 4.162 -2.205 0.355 3 HA3 GLY 1 HA3 GLY 1 4.746 -2.316 -1.299 4 H SER 2 H SER 2 5.929 -0.534 -1.602 5 HA SER 2 HA SER 2 6.505 1.657 -1.809 6 HB2 SER 2 HB2 SER 2 3.707 2.628 -1.635 7 HB3 SER 2 HB3 SER 2 4.955 2.986 -2.830 8 HG SER 2 HG SER 2 4.511 0.547 -3.299 9 H MET 3 H MET 3 6.338 0.540 0.824 10 HA MET 3 HA MET 3 5.261 2.648 2.510 11 HB2 MET 3 HB2 MET 3 6.651 0.046 3.159 12 HB3 MET 3 HB3 MET 3 6.084 1.184 4.374 13 HG2 MET 3 HG2 MET 3 4.007 0.518 2.475 14 HG3 MET 3 HG3 MET 3 4.663 -0.913 3.267 15 HE1 MET 3 HE1 MET 3 2.010 1.803 3.538 16 HE2 MET 3 HE2 MET 3 1.701 0.072 3.399 17 HE3 MET 3 HE3 MET 3 1.218 0.940 4.857 18 H GLU 4 H GLU 4 8.385 1.331 1.540 19 HA GLU 4 HA GLU 4 10.020 2.761 3.296 20 HB2 GLU 4 HB2 GLU 4 10.681 0.870 1.730 21 HB3 GLU 4 HB3 GLU 4 10.752 2.076 0.453 22 HG2 GLU 4 HG2 GLU 4 12.852 2.453 1.026 23 HG3 GLU 4 HG3 GLU 4 12.259 3.145 2.535 24 H ARG 5 H ARG 5 8.993 3.587 -0.010 25 HA ARG 5 HA ARG 5 10.296 6.068 -0.146 26 HB2 ARG 5 HB2 ARG 5 7.739 5.254 -1.540 27 HB3 ARG 5 HB3 ARG 5 8.821 6.554 -2.023 28 HG2 ARG 5 HG2 ARG 5 9.825 3.745 -1.831 29 HG3 ARG 5 HG3 ARG 5 8.933 4.289 -3.254 30 HD2 ARG 5 HD2 ARG 5 10.594 5.707 -3.922 31 HD3 ARG 5 HD3 ARG 5 11.161 5.991 -2.277 32 HE ARG 5 HE ARG 5 12.021 3.915 -4.080 33 HH11 ARG 5 HH11 ARG 5 11.796 4.940 -0.760 34 HH12 ARG 5 HH12 ARG 5 13.100 3.933 -0.224 35 HH21 ARG 5 HH21 ARG 5 13.739 2.584 -3.386 36 HH22 ARG 5 HH22 ARG 5 14.205 2.594 -1.719 37 H LEU 6 H LEU 6 7.152 5.141 1.122 38 HA LEU 6 HA LEU 6 6.071 7.721 1.423 39 HB2 LEU 6 HB2 LEU 6 5.460 5.018 2.329 40 HB3 LEU 6 HB3 LEU 6 4.997 6.258 3.492 41 HG LEU 6 HG LEU 6 4.078 6.084 0.623 42 HD11 LEU 6 HD11 LEU 6 2.286 5.872 2.991 43 HD12 LEU 6 HD12 LEU 6 3.218 4.460 2.494 44 HD13 LEU 6 HD13 LEU 6 2.093 5.216 1.365 45 HD21 LEU 6 HD21 LEU 6 2.465 7.874 1.462 46 HD22 LEU 6 HD22 LEU 6 4.126 8.370 1.138 47 HD23 LEU 6 HD23 LEU 6 3.594 8.097 2.798 48 H ARG 7 H ARG 7 7.675 5.623 3.819 49 HA ARG 7 HA ARG 7 7.700 7.522 5.893 50 HB2 ARG 7 HB2 ARG 7 8.095 5.016 6.070 51 HB3 ARG 7 HB3 ARG 7 9.737 5.330 5.523 52 HG2 ARG 7 HG2 ARG 7 10.356 5.818 7.587 53 HG3 ARG 7 HG3 ARG 7 9.144 7.098 7.672 54 HD2 ARG 7 HD2 ARG 7 8.426 5.784 9.392 55 HD3 ARG 7 HD3 ARG 7 7.525 5.049 8.067 56 HE ARG 7 HE ARG 7 8.796 3.152 8.290 57 HH11 ARG 7 HH11 ARG 7 10.263 5.751 10.083 58 HH12 ARG 7 HH12 ARG 7 11.422 4.730 10.867 59 HH21 ARG 7 HH21 ARG 7 10.317 1.797 9.317 60 HH22 ARG 7 HH22 ARG 7 11.453 2.481 10.430 61 H ASP 8 H ASP 8 9.963 6.840 3.288 62 HA ASP 8 HA ASP 8 12.075 8.471 4.241 63 HB2 ASP 8 HB2 ASP 8 11.400 7.532 1.447 64 HB3 ASP 8 HB3 ASP 8 12.895 8.357 1.880 65 H VAL 9 H VAL 9 9.669 9.049 1.671 66 HA VAL 9 HA VAL 9 10.370 11.731 1.211 67 HB VAL 9 HB VAL 9 7.705 10.377 0.771 68 HG11 VAL 9 HG11 VAL 9 7.939 12.344 -1.117 69 HG12 VAL 9 HG12 VAL 9 6.996 12.464 0.370 70 HG13 VAL 9 HG13 VAL 9 8.637 13.109 0.310 71 HG21 VAL 9 HG21 VAL 9 10.166 9.891 -0.437 72 HG22 VAL 9 HG22 VAL 9 8.579 9.396 -1.027 73 HG23 VAL 9 HG23 VAL 9 9.293 10.909 -1.582 74 H ARG 10 H ARG 10 7.791 10.324 3.217 75 HA ARG 10 HA ARG 10 6.659 12.704 4.120 76 HB2 ARG 10 HB2 ARG 10 5.590 10.544 4.466 77 HB3 ARG 10 HB3 ARG 10 6.893 10.044 5.536 78 HG2 ARG 10 HG2 ARG 10 5.833 10.909 7.272 79 HG3 ARG 10 HG3 ARG 10 5.812 12.496 6.499 80 HD2 ARG 10 HD2 ARG 10 3.792 10.294 6.083 81 HD3 ARG 10 HD3 ARG 10 3.555 11.741 7.063 82 HE ARG 10 HE ARG 10 3.431 11.545 4.192 83 HH11 ARG 10 HH11 ARG 10 3.897 13.660 6.917 84 HH12 ARG 10 HH12 ARG 10 3.423 15.087 6.057 85 HH21 ARG 10 HH21 ARG 10 2.804 13.416 3.048 86 HH22 ARG 10 HH22 ARG 10 2.800 14.947 3.856 87 H GLU 11 H GLU 11 9.153 10.698 5.691 88 HA GLU 11 HA GLU 11 9.593 12.433 7.863 89 HB2 GLU 11 HB2 GLU 11 10.306 10.032 7.727 90 HB3 GLU 11 HB3 GLU 11 11.593 10.530 6.636 91 HG2 GLU 11 HG2 GLU 11 12.857 11.362 8.292 92 HG3 GLU 11 HG3 GLU 11 11.471 12.005 9.171 93 H ARG 12 H ARG 12 11.089 12.209 4.674 94 HA ARG 12 HA ARG 12 13.156 14.075 5.128 95 HB2 ARG 12 HB2 ARG 12 11.828 12.959 2.686 96 HB3 ARG 12 HB3 ARG 12 12.944 14.308 2.526 97 HG2 ARG 12 HG2 ARG 12 13.660 11.733 3.901 98 HG3 ARG 12 HG3 ARG 12 13.932 12.030 2.182 99 HD2 ARG 12 HD2 ARG 12 15.412 13.845 2.660 100 HD3 ARG 12 HD3 ARG 12 15.001 13.797 4.374 101 HE ARG 12 HE ARG 12 16.532 12.126 4.646 102 HH11 ARG 12 HH11 ARG 12 15.730 12.374 1.267 103 HH12 ARG 12 HH12 ARG 12 16.931 11.232 0.764 104 HH21 ARG 12 HH21 ARG 12 18.117 10.620 3.996 105 HH22 ARG 12 HH22 ARG 12 18.288 10.234 2.317 106 H LEU 13 H LEU 13 9.826 14.419 4.032 107 HA LEU 13 HA LEU 13 10.021 17.164 3.324 108 HB2 LEU 13 HB2 LEU 13 8.154 15.206 2.987 109 HB3 LEU 13 HB3 LEU 13 7.402 16.204 4.231 110 HG LEU 13 HG LEU 13 8.341 17.215 1.547 111 HD11 LEU 13 HD11 LEU 13 6.324 15.563 1.713 112 HD12 LEU 13 HD12 LEU 13 6.202 17.024 0.733 113 HD13 LEU 13 HD13 LEU 13 5.476 16.977 2.339 114 HD21 LEU 13 HD21 LEU 13 6.374 18.703 3.150 115 HD22 LEU 13 HD22 LEU 13 7.732 19.285 2.188 116 HD23 LEU 13 HD23 LEU 13 8.008 18.654 3.812 117 H GLN 14 H GLN 14 8.338 15.648 6.085 118 HA GLN 14 HA GLN 14 7.785 17.927 7.523 119 HB2 GLN 14 HB2 GLN 14 7.853 16.440 9.553 120 HB3 GLN 14 HB3 GLN 14 6.851 15.854 8.233 121 HG2 GLN 14 HG2 GLN 14 7.911 13.921 8.550 122 HG3 GLN 14 HG3 GLN 14 9.233 14.678 7.664 123 HE21 GLN 14 HE21 GLN 14 7.994 14.982 10.976 124 HE22 GLN 14 HE22 GLN 14 9.505 14.673 11.753 125 H ALA 15 H ALA 15 10.705 15.908 7.738 126 HA ALA 15 HA ALA 15 12.007 17.428 9.712 127 HB1 ALA 15 HB1 ALA 15 13.068 15.578 7.589 128 HB2 ALA 15 HB2 ALA 15 14.088 16.322 8.821 129 HB3 ALA 15 HB3 ALA 15 12.787 15.229 9.295 130 H TRP 16 H TRP 16 12.160 17.567 6.170 131 HA TRP 16 HA TRP 16 14.170 19.433 5.852 132 HB2 TRP 16 HB2 TRP 16 13.306 18.382 3.907 133 HB3 TRP 16 HB3 TRP 16 11.667 18.929 4.249 134 HD1 TRP 16 HD1 TRP 16 10.980 20.705 2.556 135 HE1 TRP 16 HE1 TRP 16 12.126 22.686 1.377 136 HE3 TRP 16 HE3 TRP 16 15.685 20.188 4.487 137 HZ2 TRP 16 HZ2 TRP 16 14.686 23.871 1.278 138 HZ3 TRP 16 HZ3 TRP 16 17.424 21.786 3.800 139 HH2 TRP 16 HH2 TRP 16 16.933 23.588 2.228 140 H GLU 17 H GLU 17 10.713 20.280 5.620 141 HA GLU 17 HA GLU 17 11.045 23.024 5.871 142 HB2 GLU 17 HB2 GLU 17 8.668 23.114 6.443 143 HB3 GLU 17 HB3 GLU 17 8.956 21.991 5.122 144 HG2 GLU 17 HG2 GLU 17 8.831 20.118 6.693 145 HG3 GLU 17 HG3 GLU 17 8.519 21.251 8.007 146 H ARG 18 H ARG 18 10.756 20.551 8.349 147 HA ARG 18 HA ARG 18 10.267 22.096 10.589 148 HB2 ARG 18 HB2 ARG 18 11.530 19.479 10.067 149 HB3 ARG 18 HB3 ARG 18 11.969 20.232 11.594 150 HG2 ARG 18 HG2 ARG 18 9.145 19.731 10.678 151 HG3 ARG 18 HG3 ARG 18 10.054 18.692 11.778 152 HD2 ARG 18 HD2 ARG 18 10.360 20.780 13.215 153 HD3 ARG 18 HD3 ARG 18 9.103 21.507 12.217 154 HE ARG 18 HE ARG 18 7.546 20.228 13.305 155 HH11 ARG 18 HH11 ARG 18 10.724 18.965 13.956 156 HH12 ARG 18 HH12 ARG 18 10.175 17.843 15.157 157 HH21 ARG 18 HH21 ARG 18 6.810 18.755 14.884 158 HH22 ARG 18 HH22 ARG 18 7.948 17.724 15.683 159 H ALA 19 H ALA 19 13.521 20.855 9.845 160 HA ALA 19 HA ALA 19 14.842 22.758 11.447 161 HB1 ALA 19 HB1 ALA 19 16.866 22.004 10.007 162 HB2 ALA 19 HB2 ALA 19 16.082 20.843 11.078 163 HB3 ALA 19 HB3 ALA 19 15.732 20.823 9.350 164 H PHE 20 H PHE 20 14.013 22.701 8.029 165 HA PHE 20 HA PHE 20 15.580 24.750 7.055 166 HB2 PHE 20 HB2 PHE 20 14.298 23.572 5.474 167 HB3 PHE 20 HB3 PHE 20 12.799 23.845 6.354 168 HD1 PHE 20 HD1 PHE 20 15.461 25.668 4.504 169 HD2 PHE 20 HD2 PHE 20 11.378 25.545 5.698 170 HE1 PHE 20 HE1 PHE 20 14.990 27.620 3.082 171 HE2 PHE 20 HE2 PHE 20 10.900 27.496 4.277 172 HZ PHE 20 HZ PHE 20 12.706 28.536 2.966 173 H ARG 21 H ARG 21 12.151 25.246 7.879 174 HA ARG 21 HA ARG 21 12.322 28.031 8.041 175 HB2 ARG 21 HB2 ARG 21 10.180 26.991 7.773 176 HB3 ARG 21 HB3 ARG 21 10.367 26.089 9.271 177 HG2 ARG 21 HG2 ARG 21 9.807 27.861 10.575 178 HG3 ARG 21 HG3 ARG 21 10.460 29.044 9.440 179 HD2 ARG 21 HD2 ARG 21 8.563 28.833 8.012 180 HD3 ARG 21 HD3 ARG 21 7.968 27.439 8.913 181 HE ARG 21 HE ARG 21 7.060 28.865 10.463 182 HH11 ARG 21 HH11 ARG 21 9.271 30.622 8.429 183 HH12 ARG 21 HH12 ARG 21 8.812 32.174 9.047 184 HH21 ARG 21 HH21 ARG 21 6.446 30.902 11.286 185 HH22 ARG 21 HH22 ARG 21 7.206 32.332 10.673 186 H ARG 22 H ARG 22 13.375 25.631 10.220 187 HA ARG 22 HA ARG 22 13.121 27.044 12.661 188 HB2 ARG 22 HB2 ARG 22 14.137 24.532 11.801 189 HB3 ARG 22 HB3 ARG 22 15.401 25.326 12.730 190 HG2 ARG 22 HG2 ARG 22 12.771 25.499 13.975 191 HG3 ARG 22 HG3 ARG 22 13.348 23.845 13.762 192 HD2 ARG 22 HD2 ARG 22 14.145 24.503 15.871 193 HD3 ARG 22 HD3 ARG 22 15.533 24.643 14.792 194 HE ARG 22 HE ARG 22 14.503 27.128 14.744 195 HH11 ARG 22 HH11 ARG 22 15.336 24.973 17.348 196 HH12 ARG 22 HH12 ARG 22 15.729 26.249 18.452 197 HH21 ARG 22 HH21 ARG 22 15.018 28.817 16.188 198 HH22 ARG 22 HH22 ARG 22 15.547 28.435 17.792 199 H GLN 23 H GLN 23 15.793 26.717 10.345 200 HA GLN 23 HA GLN 23 17.319 28.730 11.815 201 HB2 GLN 23 HB2 GLN 23 19.162 28.137 10.281 202 HB3 GLN 23 HB3 GLN 23 18.544 26.744 11.158 203 HG2 GLN 23 HG2 GLN 23 17.188 26.167 9.154 204 HG3 GLN 23 HG3 GLN 23 17.999 27.474 8.292 205 HE21 GLN 23 HE21 GLN 23 18.059 24.781 7.511 206 HE22 GLN 23 HE22 GLN 23 19.688 24.218 7.634 207 H ARG 24 H ARG 24 15.970 28.140 8.591 208 HA ARG 24 HA ARG 24 16.804 30.633 7.506 209 HB2 ARG 24 HB2 ARG 24 14.874 28.500 6.661 210 HB3 ARG 24 HB3 ARG 24 14.903 30.040 5.812 211 HG2 ARG 24 HG2 ARG 24 17.306 28.267 6.183 212 HG3 ARG 24 HG3 ARG 24 16.275 28.268 4.751 213 HD2 ARG 24 HD2 ARG 24 17.784 29.768 4.002 214 HD3 ARG 24 HD3 ARG 24 16.810 30.897 4.943 215 HE ARG 24 HE ARG 24 18.620 30.031 6.743 216 HH11 ARG 24 HH11 ARG 24 18.914 31.299 3.514 217 HH12 ARG 24 HH12 ARG 24 20.470 32.008 3.793 218 HH21 ARG 24 HH21 ARG 24 20.668 30.960 7.123 219 HH22 ARG 24 HH22 ARG 24 21.467 31.814 5.847 220 H GLY 25 H GLY 25 13.572 29.458 8.480 221 HA2 GLY 25 HA2 GLY 25 11.776 30.587 9.368 222 HA3 GLY 25 HA3 GLY 25 12.884 31.890 9.773 223 H ARG 26 H ARG 26 12.370 30.680 6.518 224 HA ARG 26 HA ARG 26 10.381 32.412 5.653 225 HB2 ARG 26 HB2 ARG 26 11.887 34.071 4.406 226 HB3 ARG 26 HB3 ARG 26 11.662 34.319 6.133 227 HG2 ARG 26 HG2 ARG 26 13.824 33.959 6.597 228 HG3 ARG 26 HG3 ARG 26 13.962 32.644 5.427 229 HD2 ARG 26 HD2 ARG 26 15.298 34.214 4.432 230 HD3 ARG 26 HD3 ARG 26 13.747 34.608 3.692 231 HE ARG 26 HE ARG 26 13.808 36.187 5.889 232 HH11 ARG 26 HH11 ARG 26 16.023 35.652 3.257 233 HH12 ARG 26 HH12 ARG 26 16.670 37.258 3.303 234 HH21 ARG 26 HH21 ARG 26 14.653 38.305 5.960 235 HH22 ARG 26 HH22 ARG 26 15.891 38.766 4.842 236 H ARG 27 H ARG 27 10.918 33.003 3.128 237 HA ARG 27 HA ARG 27 10.761 30.639 1.736 238 HB2 ARG 27 HB2 ARG 27 10.896 33.400 1.097 239 HB3 ARG 27 HB3 ARG 27 12.046 32.569 0.058 240 HG2 ARG 27 HG2 ARG 27 9.620 31.075 0.124 241 HG3 ARG 27 HG3 ARG 27 9.252 32.763 -0.233 242 HD2 ARG 27 HD2 ARG 27 11.444 31.288 -1.657 243 HD3 ARG 27 HD3 ARG 27 9.768 31.205 -2.200 244 HE ARG 27 HE ARG 27 10.186 33.854 -2.030 245 HH11 ARG 27 HH11 ARG 27 12.004 31.286 -3.520 246 HH12 ARG 27 HH12 ARG 27 12.649 32.293 -4.773 247 HH21 ARG 27 HH21 ARG 27 11.028 35.190 -3.675 248 HH22 ARG 27 HH22 ARG 27 12.094 34.514 -4.860 249 HA PRO 28 HA PRO 28 14.811 28.934 1.584 250 HB2 PRO 28 HB2 PRO 28 14.628 27.522 -0.727 251 HB3 PRO 28 HB3 PRO 28 13.823 27.028 0.767 252 HG2 PRO 28 HG2 PRO 28 12.699 28.470 -1.603 253 HG3 PRO 28 HG3 PRO 28 11.991 27.144 -0.661 254 HD2 PRO 28 HD2 PRO 28 11.266 29.729 -0.311 255 HD3 PRO 28 HD3 PRO 28 11.275 28.552 1.017 256 H SER 29 H SER 29 16.645 28.595 -0.079 257 HA SER 29 HA SER 29 16.788 30.849 -1.958 258 HB2 SER 29 HB2 SER 29 19.328 30.854 -1.111 259 HB3 SER 29 HB3 SER 29 18.080 31.836 -0.343 260 HG SER 29 HG SER 29 19.354 29.533 0.569 261 H GLN 30 H GLN 30 18.230 30.567 -3.707 262 HA GLN 30 HA GLN 30 18.280 28.082 -4.888 263 HB2 GLN 30 HB2 GLN 30 19.901 30.565 -5.294 264 HB3 GLN 30 HB3 GLN 30 20.318 29.107 -6.184 265 HG2 GLN 30 HG2 GLN 30 18.404 29.149 -7.433 266 HG3 GLN 30 HG3 GLN 30 17.493 30.029 -6.206 267 HE21 GLN 30 HE21 GLN 30 17.953 32.293 -5.933 268 HE22 GLN 30 HE22 GLN 30 18.516 33.222 -7.277 269 H ASP 31 H ASP 31 20.485 29.430 -2.561 270 HA ASP 31 HA ASP 31 22.623 27.607 -2.972 271 HB2 ASP 31 HB2 ASP 31 22.269 29.889 -1.480 272 HB3 ASP 31 HB3 ASP 31 22.322 28.637 -0.242 273 H ASP 32 H ASP 32 19.934 27.693 -0.652 274 HA ASP 32 HA ASP 32 20.646 25.250 0.623 275 HB2 ASP 32 HB2 ASP 32 18.971 27.279 1.266 276 HB3 ASP 32 HB3 ASP 32 17.810 26.087 0.689 277 H VAL 33 H VAL 33 18.832 26.060 -2.215 278 HA VAL 33 HA VAL 33 17.498 23.510 -2.407 279 HB VAL 33 HB VAL 33 17.040 25.983 -3.529 280 HG11 VAL 33 HG11 VAL 33 18.830 25.543 -5.181 281 HG12 VAL 33 HG12 VAL 33 17.924 24.137 -5.744 282 HG13 VAL 33 HG13 VAL 33 17.243 25.755 -5.920 283 HG21 VAL 33 HG21 VAL 33 15.949 23.248 -3.865 284 HG22 VAL 33 HG22 VAL 33 15.163 24.720 -3.292 285 HG23 VAL 33 HG23 VAL 33 15.426 24.475 -5.019 286 H GLU 34 H GLU 34 20.411 24.996 -3.653 287 HA GLU 34 HA GLU 34 20.927 22.938 -5.590 288 HB2 GLU 34 HB2 GLU 34 21.762 25.422 -5.520 289 HB3 GLU 34 HB3 GLU 34 23.054 24.759 -4.529 290 HG2 GLU 34 HG2 GLU 34 22.618 23.200 -6.930 291 HG3 GLU 34 HG3 GLU 34 22.985 24.887 -7.286 292 H ALA 35 H ALA 35 21.291 23.202 -2.239 293 HA ALA 35 HA ALA 35 23.633 21.603 -1.910 294 HB1 ALA 35 HB1 ALA 35 23.431 22.135 0.247 295 HB2 ALA 35 HB2 ALA 35 22.102 23.180 -0.256 296 HB3 ALA 35 HB3 ALA 35 21.770 21.548 0.324 297 H ALA 36 H ALA 36 20.177 20.954 -2.052 298 HA ALA 36 HA ALA 36 20.536 18.150 -1.410 299 HB1 ALA 36 HB1 ALA 36 18.448 19.891 -1.093 300 HB2 ALA 36 HB2 ALA 36 17.939 18.938 -2.487 301 HB3 ALA 36 HB3 ALA 36 18.343 18.135 -0.970 302 HA PRO 37 HA PRO 37 20.864 16.535 -5.477 303 HB2 PRO 37 HB2 PRO 37 19.327 14.301 -5.343 304 HB3 PRO 37 HB3 PRO 37 20.895 14.438 -4.538 305 HG2 PRO 37 HG2 PRO 37 18.146 14.764 -3.398 306 HG3 PRO 37 HG3 PRO 37 19.548 13.919 -2.715 307 HD2 PRO 37 HD2 PRO 37 18.819 16.405 -1.927 308 HD3 PRO 37 HD3 PRO 37 20.511 15.870 -1.955 309 H GLU 38 H GLU 38 19.334 15.392 -7.226 310 HA GLU 38 HA GLU 38 17.559 17.394 -8.118 311 HB2 GLU 38 HB2 GLU 38 18.577 14.854 -9.091 312 HB3 GLU 38 HB3 GLU 38 16.882 15.071 -9.504 313 HG2 GLU 38 HG2 GLU 38 17.308 16.995 -10.753 314 HG3 GLU 38 HG3 GLU 38 18.902 17.217 -10.033 315 H GLU 39 H GLU 39 16.791 14.015 -7.257 316 HA GLU 39 HA GLU 39 14.060 14.178 -7.241 317 HB2 GLU 39 HB2 GLU 39 16.032 12.383 -6.204 318 HB3 GLU 39 HB3 GLU 39 14.766 12.585 -5.001 319 HG2 GLU 39 HG2 GLU 39 13.693 10.991 -6.119 320 HG3 GLU 39 HG3 GLU 39 13.324 12.252 -7.294 321 H THR 40 H THR 40 16.177 14.723 -4.425 322 HA THR 40 HA THR 40 14.183 15.448 -2.614 323 HB THR 40 HB THR 40 17.056 16.389 -2.710 324 HG1 THR 40 HG1 THR 40 15.751 14.123 -1.642 325 HG21 THR 40 HG21 THR 40 16.606 16.577 -0.169 326 HG22 THR 40 HG22 THR 40 14.906 16.647 -0.634 327 HG23 THR 40 HG23 THR 40 16.034 17.867 -1.225 328 H ARG 41 H ARG 41 16.058 17.438 -4.865 329 HA ARG 41 HA ARG 41 15.200 19.953 -4.039 330 HB2 ARG 41 HB2 ARG 41 16.273 18.815 -6.565 331 HB3 ARG 41 HB3 ARG 41 15.489 20.386 -6.667 332 HG2 ARG 41 HG2 ARG 41 17.048 21.383 -5.230 333 HG3 ARG 41 HG3 ARG 41 17.647 19.823 -4.664 334 HD2 ARG 41 HD2 ARG 41 19.161 19.757 -6.289 335 HD3 ARG 41 HD3 ARG 41 17.917 20.005 -7.514 336 HE ARG 41 HE ARG 41 18.720 22.404 -6.134 337 HH11 ARG 41 HH11 ARG 41 19.333 20.281 -8.824 338 HH12 ARG 41 HH12 ARG 41 20.125 21.496 -9.771 339 HH21 ARG 41 HH21 ARG 41 19.761 24.013 -7.371 340 HH22 ARG 41 HH22 ARG 41 20.369 23.618 -8.944 341 H ALA 42 H ALA 42 13.709 17.671 -6.293 342 HA ALA 42 HA ALA 42 11.605 19.370 -7.124 343 HB1 ALA 42 HB1 ALA 42 11.682 16.356 -7.078 344 HB2 ALA 42 HB2 ALA 42 10.569 17.359 -8.009 345 HB3 ALA 42 HB3 ALA 42 12.293 17.378 -8.379 346 H LEU 43 H LEU 43 11.760 16.813 -4.657 347 HA LEU 43 HA LEU 43 9.091 17.010 -3.808 348 HB2 LEU 43 HB2 LEU 43 11.406 16.253 -2.048 349 HB3 LEU 43 HB3 LEU 43 9.730 15.724 -1.924 350 HG LEU 43 HG LEU 43 11.147 15.003 -4.416 351 HD11 LEU 43 HD11 LEU 43 12.301 14.451 -1.846 352 HD12 LEU 43 HD12 LEU 43 12.894 14.035 -3.454 353 HD13 LEU 43 HD13 LEU 43 11.781 12.952 -2.618 354 HD21 LEU 43 HD21 LEU 43 8.767 14.349 -3.236 355 HD22 LEU 43 HD22 LEU 43 9.783 12.968 -2.822 356 HD23 LEU 43 HD23 LEU 43 9.562 13.426 -4.511 357 H TYR 44 H TYR 44 12.046 18.470 -2.463 358 HA TYR 44 HA TYR 44 10.855 19.865 -0.365 359 HB2 TYR 44 HB2 TYR 44 13.347 20.365 -1.978 360 HB3 TYR 44 HB3 TYR 44 12.868 21.443 -0.672 361 HD1 TYR 44 HD2 TYR 44 11.820 18.168 0.078 362 HD2 TYR 44 HD1 TYR 44 15.272 20.655 0.050 363 HE1 TYR 44 HE2 TYR 44 12.902 16.675 1.706 364 HE2 TYR 44 HE1 TYR 44 16.364 19.168 1.677 365 HH TYR 44 HH TYR 44 14.679 16.332 2.992 366 H ARG 45 H ARG 45 11.693 21.067 -3.616 367 HA ARG 45 HA ARG 45 10.512 23.604 -3.283 368 HB2 ARG 45 HB2 ARG 45 12.126 22.551 -5.148 369 HB3 ARG 45 HB3 ARG 45 10.594 22.409 -6.000 370 HG2 ARG 45 HG2 ARG 45 10.370 24.647 -6.262 371 HG3 ARG 45 HG3 ARG 45 11.188 25.018 -4.742 372 HD2 ARG 45 HD2 ARG 45 12.977 25.553 -5.954 373 HD3 ARG 45 HD3 ARG 45 13.147 23.835 -6.313 374 HE ARG 45 HE ARG 45 11.310 25.028 -8.097 375 HH11 ARG 45 HH11 ARG 45 14.715 24.859 -7.392 376 HH12 ARG 45 HH12 ARG 45 15.201 25.164 -9.027 377 HH21 ARG 45 HH21 ARG 45 11.938 25.431 -10.253 378 HH22 ARG 45 HH22 ARG 45 13.621 25.491 -10.653 379 H GLU 46 H GLU 46 9.192 20.498 -4.044 380 HA GLU 46 HA GLU 46 6.802 21.347 -5.300 381 HB2 GLU 46 HB2 GLU 46 7.870 18.844 -4.181 382 HB3 GLU 46 HB3 GLU 46 6.118 18.980 -4.121 383 HG2 GLU 46 HG2 GLU 46 6.016 19.323 -6.502 384 HG3 GLU 46 HG3 GLU 46 7.776 19.340 -6.606 385 H TYR 47 H TYR 47 7.286 20.098 -1.991 386 HA TYR 47 HA TYR 47 4.731 20.937 -1.093 387 HB2 TYR 47 HB2 TYR 47 6.431 19.160 -0.128 388 HB3 TYR 47 HB3 TYR 47 6.989 20.532 0.823 389 HD1 TYR 47 HD2 TYR 47 4.201 18.231 0.211 390 HD2 TYR 47 HD1 TYR 47 5.598 21.495 2.555 391 HE1 TYR 47 HE2 TYR 47 2.372 17.856 1.812 392 HE2 TYR 47 HE1 TYR 47 3.774 21.129 4.164 393 HH TYR 47 HH TYR 47 1.357 18.577 3.650 394 H ARG 48 H ARG 48 7.820 22.491 -1.312 395 HA ARG 48 HA ARG 48 7.297 24.567 0.576 396 HB2 ARG 48 HB2 ARG 48 9.578 24.114 0.109 397 HB3 ARG 48 HB3 ARG 48 9.324 24.233 -1.627 398 HG2 ARG 48 HG2 ARG 48 8.655 26.670 -0.157 399 HG3 ARG 48 HG3 ARG 48 10.352 26.197 -0.049 400 HD2 ARG 48 HD2 ARG 48 10.748 26.758 -2.175 401 HD3 ARG 48 HD3 ARG 48 9.285 25.955 -2.743 402 HE ARG 48 HE ARG 48 8.750 28.435 -1.416 403 HH11 ARG 48 HH11 ARG 48 9.683 26.980 -4.438 404 HH12 ARG 48 HH12 ARG 48 9.091 28.293 -5.402 405 HH21 ARG 48 HH21 ARG 48 7.967 30.169 -2.674 406 HH22 ARG 48 HH22 ARG 48 8.116 30.106 -4.398 407 H THR 49 H THR 49 7.001 24.267 -2.935 408 HA THR 49 HA THR 49 6.193 26.975 -3.343 409 HB THR 49 HB THR 49 5.894 24.557 -5.134 410 HG1 THR 49 HG1 THR 49 7.708 25.584 -6.193 411 HG21 THR 49 HG21 THR 49 5.953 26.850 -6.700 412 HG22 THR 49 HG22 THR 49 4.872 27.261 -5.369 413 HG23 THR 49 HG23 THR 49 4.545 25.844 -6.365 414 H LEU 50 H LEU 50 4.498 23.904 -2.946 415 HA LEU 50 HA LEU 50 1.907 24.939 -3.504 416 HB2 LEU 50 HB2 LEU 50 2.789 22.471 -2.020 417 HB3 LEU 50 HB3 LEU 50 1.116 22.834 -2.436 418 HG LEU 50 HG LEU 50 3.183 22.669 -4.592 419 HD11 LEU 50 HD11 LEU 50 3.491 20.480 -4.403 420 HD12 LEU 50 HD12 LEU 50 1.759 20.191 -4.242 421 HD13 LEU 50 HD13 LEU 50 2.726 20.568 -2.816 422 HD21 LEU 50 HD21 LEU 50 0.239 22.627 -4.339 423 HD22 LEU 50 HD22 LEU 50 0.941 21.565 -5.560 424 HD23 LEU 50 HD23 LEU 50 1.263 23.299 -5.609 425 H LYS 51 H LYS 51 3.764 24.419 -0.546 426 HA LYS 51 HA LYS 51 1.648 25.164 1.218 427 HB2 LYS 51 HB2 LYS 51 3.393 23.769 2.078 428 HB3 LYS 51 HB3 LYS 51 4.633 24.918 1.595 429 HG2 LYS 51 HG2 LYS 51 4.371 26.168 3.437 430 HG3 LYS 51 HG3 LYS 51 2.615 25.993 3.432 431 HD2 LYS 51 HD2 LYS 51 2.664 24.092 4.702 432 HD3 LYS 51 HD3 LYS 51 4.250 23.603 4.103 433 HE2 LYS 51 HE2 LYS 51 5.142 24.402 5.974 434 HE3 LYS 51 HE3 LYS 51 4.651 26.018 5.471 435 HZ1 LYS 51 HZ1 LYS 51 2.436 25.468 6.519 436 HZ2 LYS 51 HZ2 LYS 51 3.728 25.704 7.584 437 HZ3 LYS 51 HZ3 LYS 51 3.198 24.137 7.233 438 H ARG 52 H ARG 52 4.392 26.860 -0.224 439 HA ARG 52 HA ARG 52 4.060 29.279 1.204 440 HB2 ARG 52 HB2 ARG 52 5.477 28.508 -1.323 441 HB3 ARG 52 HB3 ARG 52 5.335 30.203 -0.878 442 HG2 ARG 52 HG2 ARG 52 6.553 28.067 0.859 443 HG3 ARG 52 HG3 ARG 52 7.460 29.185 -0.163 444 HD2 ARG 52 HD2 ARG 52 6.416 31.068 1.095 445 HD3 ARG 52 HD3 ARG 52 5.696 29.880 2.181 446 HE ARG 52 HE ARG 52 8.447 30.739 2.117 447 HH11 ARG 52 HH11 ARG 52 6.224 28.245 3.099 448 HH12 ARG 52 HH12 ARG 52 7.262 27.629 4.342 449 HH21 ARG 52 HH21 ARG 52 9.821 29.936 3.751 450 HH22 ARG 52 HH22 ARG 52 9.307 28.592 4.713 451 H THR 53 H THR 53 2.994 28.260 -2.030 452 HA THR 53 HA THR 53 1.669 30.683 -2.657 453 HB THR 53 HB THR 53 0.555 29.391 -4.451 454 HG1 THR 53 HG1 THR 53 0.982 27.177 -4.625 455 HG21 THR 53 HG21 THR 53 2.558 30.145 -5.261 456 HG22 THR 53 HG22 THR 53 2.842 28.408 -5.375 457 HG23 THR 53 HG23 THR 53 3.496 29.321 -4.016 458 H THR 54 H THR 54 0.385 27.514 -1.645 459 HA THR 54 HA THR 54 -2.292 28.370 -1.409 460 HB THR 54 HB THR 54 -0.913 26.057 -0.033 461 HG1 THR 54 HG1 THR 54 -0.925 25.317 -2.016 462 HG21 THR 54 HG21 THR 54 -2.869 26.212 1.166 463 HG22 THR 54 HG22 THR 54 -3.406 25.216 -0.187 464 HG23 THR 54 HG23 THR 54 -3.756 26.944 -0.169 465 H GLY 55 H GLY 55 0.445 28.722 0.658 466 HA2 GLY 55 HA2 GLY 55 0.521 30.252 2.455 467 HA3 GLY 55 HA3 GLY 55 -1.228 30.148 2.587 468 H GLN 56 H GLN 56 -1.304 27.251 2.583 469 HA GLN 56 HA GLN 56 -0.380 26.819 5.336 470 HB2 GLN 56 HB2 GLN 56 -2.855 26.579 4.610 471 HB3 GLN 56 HB3 GLN 56 -2.339 25.059 3.891 472 HG2 GLN 56 HG2 GLN 56 -1.363 25.247 6.578 473 HG3 GLN 56 HG3 GLN 56 -3.101 25.541 6.541 474 HE21 GLN 56 HE21 GLN 56 -1.228 23.241 7.353 475 HE22 GLN 56 HE22 GLN 56 -1.982 21.853 6.653 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.911 -0.331 1.045 2 HA2 GLY 1 HA2 GLY 1 0.542 1.281 -1.378 3 HA3 GLY 1 HA3 GLY 1 0.292 2.056 0.180 4 H SER 2 H SER 2 2.168 3.050 -1.538 5 HA SER 2 HA SER 2 4.757 2.053 -1.334 6 HB2 SER 2 HB2 SER 2 4.482 5.001 -1.279 7 HB3 SER 2 HB3 SER 2 5.394 3.973 -2.383 8 HG SER 2 HG SER 2 3.800 4.528 -3.672 9 H MET 3 H MET 3 5.490 1.397 0.618 10 HA MET 3 HA MET 3 5.143 3.047 2.972 11 HB2 MET 3 HB2 MET 3 6.407 0.360 2.475 12 HB3 MET 3 HB3 MET 3 6.557 1.180 4.023 13 HG2 MET 3 HG2 MET 3 3.813 1.130 3.166 14 HG3 MET 3 HG3 MET 3 4.498 -0.494 3.177 15 HE1 MET 3 HE1 MET 3 5.808 -0.961 6.685 16 HE2 MET 3 HE2 MET 3 4.592 -1.890 5.808 17 HE3 MET 3 HE3 MET 3 6.011 -1.272 4.961 18 H GLU 4 H GLU 4 7.990 1.591 1.379 19 HA GLU 4 HA GLU 4 9.945 3.012 2.713 20 HB2 GLU 4 HB2 GLU 4 10.011 2.143 -0.182 21 HB3 GLU 4 HB3 GLU 4 11.409 2.528 0.811 22 HG2 GLU 4 HG2 GLU 4 10.253 0.631 2.331 23 HG3 GLU 4 HG3 GLU 4 9.756 0.099 0.726 24 H ARG 5 H ARG 5 8.271 3.889 -0.294 25 HA ARG 5 HA ARG 5 9.654 6.288 -0.764 26 HB2 ARG 5 HB2 ARG 5 6.809 5.609 -1.531 27 HB3 ARG 5 HB3 ARG 5 7.811 6.858 -2.258 28 HG2 ARG 5 HG2 ARG 5 8.331 3.893 -2.356 29 HG3 ARG 5 HG3 ARG 5 7.700 4.887 -3.671 30 HD2 ARG 5 HD2 ARG 5 9.867 6.277 -3.297 31 HD3 ARG 5 HD3 ARG 5 10.447 4.819 -2.493 32 HE ARG 5 HE ARG 5 10.050 5.204 -5.316 33 HH11 ARG 5 HH11 ARG 5 10.284 2.874 -2.740 34 HH12 ARG 5 HH12 ARG 5 10.757 1.574 -3.783 35 HH21 ARG 5 HH21 ARG 5 10.672 3.501 -6.700 36 HH22 ARG 5 HH22 ARG 5 10.978 1.932 -6.035 37 H LEU 6 H LEU 6 6.500 5.727 0.796 38 HA LEU 6 HA LEU 6 5.935 8.377 1.447 39 HB2 LEU 6 HB2 LEU 6 4.212 6.770 1.633 40 HB3 LEU 6 HB3 LEU 6 5.159 5.778 2.741 41 HG LEU 6 HG LEU 6 4.912 7.527 4.467 42 HD11 LEU 6 HD11 LEU 6 2.719 8.976 3.484 43 HD12 LEU 6 HD12 LEU 6 3.960 9.044 2.233 44 HD13 LEU 6 HD13 LEU 6 4.330 9.580 3.871 45 HD21 LEU 6 HD21 LEU 6 2.461 6.301 3.239 46 HD22 LEU 6 HD22 LEU 6 2.394 7.222 4.742 47 HD23 LEU 6 HD23 LEU 6 3.379 5.761 4.645 48 H ARG 7 H ARG 7 7.814 5.945 3.179 49 HA ARG 7 HA ARG 7 8.173 7.395 5.567 50 HB2 ARG 7 HB2 ARG 7 8.624 4.974 5.337 51 HB3 ARG 7 HB3 ARG 7 10.011 5.343 4.322 52 HG2 ARG 7 HG2 ARG 7 11.312 5.656 6.088 53 HG3 ARG 7 HG3 ARG 7 10.159 6.777 6.815 54 HD2 ARG 7 HD2 ARG 7 10.349 5.019 8.358 55 HD3 ARG 7 HD3 ARG 7 8.836 4.714 7.505 56 HE ARG 7 HE ARG 7 9.725 2.757 6.751 57 HH11 ARG 7 HH11 ARG 7 12.329 4.862 7.706 58 HH12 ARG 7 HH12 ARG 7 13.560 3.669 7.453 59 HH21 ARG 7 HH21 ARG 7 11.337 1.178 6.414 60 HH22 ARG 7 HH22 ARG 7 12.995 1.574 6.717 61 H ASP 8 H ASP 8 10.285 7.057 2.719 62 HA ASP 8 HA ASP 8 12.294 8.807 3.623 63 HB2 ASP 8 HB2 ASP 8 11.498 8.042 0.807 64 HB3 ASP 8 HB3 ASP 8 12.973 8.909 1.227 65 H VAL 9 H VAL 9 9.513 9.360 1.479 66 HA VAL 9 HA VAL 9 10.009 12.075 0.968 67 HB VAL 9 HB VAL 9 7.353 10.637 1.038 68 HG11 VAL 9 HG11 VAL 9 6.709 12.840 1.003 69 HG12 VAL 9 HG12 VAL 9 8.169 13.367 0.163 70 HG13 VAL 9 HG13 VAL 9 6.895 12.526 -0.722 71 HG21 VAL 9 HG21 VAL 9 8.313 11.200 -1.588 72 HG22 VAL 9 HG22 VAL 9 9.569 10.345 -0.692 73 HG23 VAL 9 HG23 VAL 9 7.961 9.637 -0.850 74 H ARG 10 H ARG 10 7.627 10.657 3.219 75 HA ARG 10 HA ARG 10 6.802 12.988 4.445 76 HB2 ARG 10 HB2 ARG 10 5.708 10.839 4.819 77 HB3 ARG 10 HB3 ARG 10 7.123 10.248 5.680 78 HG2 ARG 10 HG2 ARG 10 6.143 10.932 7.546 79 HG3 ARG 10 HG3 ARG 10 6.446 12.585 7.007 80 HD2 ARG 10 HD2 ARG 10 4.251 12.378 5.717 81 HD3 ARG 10 HD3 ARG 10 3.955 10.937 6.689 82 HE ARG 10 HE ARG 10 4.550 12.871 8.515 83 HH11 ARG 10 HH11 ARG 10 2.227 12.558 5.941 84 HH12 ARG 10 HH12 ARG 10 1.039 13.552 6.717 85 HH21 ARG 10 HH21 ARG 10 2.994 14.181 9.547 86 HH22 ARG 10 HH22 ARG 10 1.476 14.475 8.767 87 H GLU 11 H GLU 11 9.579 10.942 5.238 88 HA GLU 11 HA GLU 11 10.359 12.384 7.548 89 HB2 GLU 11 HB2 GLU 11 11.089 10.070 7.060 90 HB3 GLU 11 HB3 GLU 11 12.058 10.674 5.724 91 HG2 GLU 11 HG2 GLU 11 13.741 11.154 7.074 92 HG3 GLU 11 HG3 GLU 11 12.694 12.097 8.133 93 H ARG 12 H ARG 12 11.279 12.589 4.142 94 HA ARG 12 HA ARG 12 13.361 14.450 4.420 95 HB2 ARG 12 HB2 ARG 12 11.810 13.294 2.259 96 HB3 ARG 12 HB3 ARG 12 12.157 14.992 1.959 97 HG2 ARG 12 HG2 ARG 12 14.070 14.221 1.100 98 HG3 ARG 12 HG3 ARG 12 14.582 14.095 2.784 99 HD2 ARG 12 HD2 ARG 12 13.124 11.844 1.452 100 HD3 ARG 12 HD3 ARG 12 14.861 12.049 1.225 101 HE ARG 12 HE ARG 12 14.019 12.052 3.980 102 HH11 ARG 12 HH11 ARG 12 15.033 10.104 1.278 103 HH12 ARG 12 HH12 ARG 12 15.587 8.792 2.265 104 HH21 ARG 12 HH21 ARG 12 14.744 10.331 5.289 105 HH22 ARG 12 HH22 ARG 12 15.421 8.922 4.546 106 H LEU 13 H LEU 13 9.903 14.935 3.750 107 HA LEU 13 HA LEU 13 10.008 17.744 3.590 108 HB2 LEU 13 HB2 LEU 13 8.079 15.782 3.279 109 HB3 LEU 13 HB3 LEU 13 7.512 16.718 4.661 110 HG LEU 13 HG LEU 13 8.128 17.814 1.917 111 HD11 LEU 13 HD11 LEU 13 5.418 17.924 3.085 112 HD12 LEU 13 HD12 LEU 13 5.980 16.345 2.538 113 HD13 LEU 13 HD13 LEU 13 5.929 17.701 1.412 114 HD21 LEU 13 HD21 LEU 13 8.072 19.855 2.790 115 HD22 LEU 13 HD22 LEU 13 8.112 19.118 4.392 116 HD23 LEU 13 HD23 LEU 13 6.565 19.507 3.638 117 H GLN 14 H GLN 14 8.965 15.643 6.276 118 HA GLN 14 HA GLN 14 8.460 17.584 8.168 119 HB2 GLN 14 HB2 GLN 14 9.626 14.824 8.555 120 HB3 GLN 14 HB3 GLN 14 9.017 15.830 9.862 121 HG2 GLN 14 HG2 GLN 14 7.270 15.163 7.533 122 HG3 GLN 14 HG3 GLN 14 7.500 14.006 8.843 123 HE21 GLN 14 HE21 GLN 14 6.090 17.004 7.882 124 HE22 GLN 14 HE22 GLN 14 5.157 17.270 9.311 125 H ALA 15 H ALA 15 11.495 15.713 7.995 126 HA ALA 15 HA ALA 15 12.971 17.197 9.789 127 HB1 ALA 15 HB1 ALA 15 14.907 16.192 8.891 128 HB2 ALA 15 HB2 ALA 15 13.607 15.022 8.658 129 HB3 ALA 15 HB3 ALA 15 14.165 16.002 7.302 130 H TRP 16 H TRP 16 12.615 17.720 6.297 131 HA TRP 16 HA TRP 16 14.403 19.781 5.923 132 HB2 TRP 16 HB2 TRP 16 13.320 18.883 4.012 133 HB3 TRP 16 HB3 TRP 16 11.720 19.245 4.654 134 HD1 TRP 16 HD1 TRP 16 10.641 21.188 3.411 135 HE1 TRP 16 HE1 TRP 16 11.456 23.357 2.291 136 HE3 TRP 16 HE3 TRP 16 15.652 20.736 4.317 137 HZ2 TRP 16 HZ2 TRP 16 13.900 24.699 1.850 138 HZ3 TRP 16 HZ3 TRP 16 17.160 22.505 3.512 139 HH2 TRP 16 HH2 TRP 16 16.300 24.445 2.304 140 H GLU 17 H GLU 17 10.916 20.448 6.150 141 HA GLU 17 HA GLU 17 11.093 23.128 6.727 142 HB2 GLU 17 HB2 GLU 17 8.834 22.983 7.605 143 HB3 GLU 17 HB3 GLU 17 8.991 21.952 6.189 144 HG2 GLU 17 HG2 GLU 17 9.107 19.989 7.551 145 HG3 GLU 17 HG3 GLU 17 9.172 20.958 9.022 146 H ARG 18 H ARG 18 11.540 20.413 8.869 147 HA ARG 18 HA ARG 18 11.249 21.662 11.344 148 HB2 ARG 18 HB2 ARG 18 12.279 19.178 10.350 149 HB3 ARG 18 HB3 ARG 18 13.389 19.818 11.555 150 HG2 ARG 18 HG2 ARG 18 10.563 19.943 12.318 151 HG3 ARG 18 HG3 ARG 18 11.202 18.313 12.102 152 HD2 ARG 18 HD2 ARG 18 12.701 20.347 13.709 153 HD3 ARG 18 HD3 ARG 18 11.372 19.436 14.426 154 HE ARG 18 HE ARG 18 13.076 17.603 13.215 155 HH11 ARG 18 HH11 ARG 18 13.158 19.910 15.821 156 HH12 ARG 18 HH12 ARG 18 14.326 19.023 16.744 157 HH21 ARG 18 HH21 ARG 18 14.613 16.425 14.420 158 HH22 ARG 18 HH22 ARG 18 15.153 17.041 15.945 159 H ALA 19 H ALA 19 14.418 20.821 9.955 160 HA ALA 19 HA ALA 19 15.798 22.733 11.530 161 HB1 ALA 19 HB1 ALA 19 17.184 21.014 10.943 162 HB2 ALA 19 HB2 ALA 19 16.526 20.893 9.310 163 HB3 ALA 19 HB3 ALA 19 17.636 22.201 9.719 164 H PHE 20 H PHE 20 14.230 22.873 8.450 165 HA PHE 20 HA PHE 20 15.595 25.042 7.303 166 HB2 PHE 20 HB2 PHE 20 14.219 23.957 5.791 167 HB3 PHE 20 HB3 PHE 20 12.889 23.825 6.936 168 HD1 PHE 20 HD2 PHE 20 14.849 26.510 5.237 169 HD2 PHE 20 HD1 PHE 20 11.040 25.102 6.511 170 HE1 PHE 20 HE2 PHE 20 13.784 28.481 4.219 171 HE2 PHE 20 HE1 PHE 20 9.969 27.070 5.494 172 HZ PHE 20 HZ PHE 20 11.341 28.763 4.347 173 H ARG 21 H ARG 21 12.331 25.164 8.734 174 HA ARG 21 HA ARG 21 12.365 27.974 9.046 175 HB2 ARG 21 HB2 ARG 21 10.250 26.885 8.885 176 HB3 ARG 21 HB3 ARG 21 10.622 25.818 10.232 177 HG2 ARG 21 HG2 ARG 21 10.104 27.374 11.792 178 HG3 ARG 21 HG3 ARG 21 10.633 28.722 10.783 179 HD2 ARG 21 HD2 ARG 21 8.522 27.849 9.352 180 HD3 ARG 21 HD3 ARG 21 7.999 27.408 10.977 181 HE ARG 21 HE ARG 21 8.953 30.065 10.953 182 HH11 ARG 21 HH11 ARG 21 6.254 28.128 9.911 183 HH12 ARG 21 HH12 ARG 21 5.120 29.436 9.984 184 HH21 ARG 21 HH21 ARG 21 7.469 31.795 11.053 185 HH22 ARG 21 HH22 ARG 21 5.812 31.521 10.633 186 H ARG 22 H ARG 22 13.877 25.531 10.800 187 HA ARG 22 HA ARG 22 13.764 26.731 13.399 188 HB2 ARG 22 HB2 ARG 22 15.050 24.386 12.163 189 HB3 ARG 22 HB3 ARG 22 15.947 25.103 13.494 190 HG2 ARG 22 HG2 ARG 22 13.086 24.728 14.012 191 HG3 ARG 22 HG3 ARG 22 14.001 23.239 13.764 192 HD2 ARG 22 HD2 ARG 22 15.443 23.700 15.560 193 HD3 ARG 22 HD3 ARG 22 14.949 25.391 15.630 194 HE ARG 22 HE ARG 22 12.686 23.880 16.141 195 HH11 ARG 22 HH11 ARG 22 15.815 24.396 17.579 196 HH12 ARG 22 HH12 ARG 22 15.268 24.088 19.194 197 HH21 ARG 22 HH21 ARG 22 11.954 23.473 18.262 198 HH22 ARG 22 HH22 ARG 22 13.072 23.562 19.581 199 H GLN 23 H GLN 23 16.179 26.598 10.803 200 HA GLN 23 HA GLN 23 17.848 28.514 12.250 201 HB2 GLN 23 HB2 GLN 23 19.541 28.036 10.545 202 HB3 GLN 23 HB3 GLN 23 18.965 26.557 11.302 203 HG2 GLN 23 HG2 GLN 23 17.303 26.617 9.227 204 HG3 GLN 23 HG3 GLN 23 18.644 27.521 8.526 205 HE21 GLN 23 HE21 GLN 23 20.788 26.271 9.706 206 HE22 GLN 23 HE22 GLN 23 20.881 24.639 9.147 207 H ARG 24 H ARG 24 16.135 28.148 9.173 208 HA ARG 24 HA ARG 24 16.771 30.867 8.388 209 HB2 ARG 24 HB2 ARG 24 15.248 28.616 7.098 210 HB3 ARG 24 HB3 ARG 24 15.204 30.245 6.439 211 HG2 ARG 24 HG2 ARG 24 17.794 28.829 6.957 212 HG3 ARG 24 HG3 ARG 24 16.892 28.606 5.457 213 HD2 ARG 24 HD2 ARG 24 18.062 30.376 4.732 214 HD3 ARG 24 HD3 ARG 24 16.916 31.319 5.684 215 HE ARG 24 HE ARG 24 18.987 30.564 7.380 216 HH11 ARG 24 HH11 ARG 24 18.520 32.529 4.545 217 HH12 ARG 24 HH12 ARG 24 19.807 33.623 4.932 218 HH21 ARG 24 HH21 ARG 24 20.683 31.997 7.901 219 HH22 ARG 24 HH22 ARG 24 21.037 33.319 6.840 220 H GLY 25 H GLY 25 13.626 29.214 8.275 221 HA2 GLY 25 HA2 GLY 25 11.629 29.805 9.335 222 HA3 GLY 25 HA3 GLY 25 12.439 31.200 10.032 223 H ARG 26 H ARG 26 12.429 30.388 6.611 224 HA ARG 26 HA ARG 26 10.263 31.897 5.757 225 HB2 ARG 26 HB2 ARG 26 12.413 33.529 6.684 226 HB3 ARG 26 HB3 ARG 26 12.294 33.713 4.939 227 HG2 ARG 26 HG2 ARG 26 9.809 34.115 5.313 228 HG3 ARG 26 HG3 ARG 26 10.216 34.291 7.021 229 HD2 ARG 26 HD2 ARG 26 10.567 36.445 6.529 230 HD3 ARG 26 HD3 ARG 26 12.079 35.887 5.814 231 HE ARG 26 HE ARG 26 10.268 35.631 3.802 232 HH11 ARG 26 HH11 ARG 26 11.237 38.246 5.887 233 HH12 ARG 26 HH12 ARG 26 10.903 39.477 4.715 234 HH21 ARG 26 HH21 ARG 26 9.824 37.243 2.251 235 HH22 ARG 26 HH22 ARG 26 10.098 38.906 2.647 236 H ARG 27 H ARG 27 10.454 32.521 3.399 237 HA ARG 27 HA ARG 27 11.126 30.407 1.824 238 HB2 ARG 27 HB2 ARG 27 10.013 32.797 1.327 239 HB3 ARG 27 HB3 ARG 27 11.597 33.078 0.616 240 HG2 ARG 27 HG2 ARG 27 11.319 31.198 -0.863 241 HG3 ARG 27 HG3 ARG 27 9.791 30.774 -0.087 242 HD2 ARG 27 HD2 ARG 27 9.243 31.918 -2.090 243 HD3 ARG 27 HD3 ARG 27 8.944 33.044 -0.766 244 HE ARG 27 HE ARG 27 11.566 33.339 -1.847 245 HH11 ARG 27 HH11 ARG 27 8.217 34.137 -2.363 246 HH12 ARG 27 HH12 ARG 27 8.564 35.564 -3.282 247 HH21 ARG 27 HH21 ARG 27 12.036 35.215 -3.055 248 HH22 ARG 27 HH22 ARG 27 10.737 36.176 -3.676 249 HA PRO 28 HA PRO 28 15.582 30.382 2.121 250 HB2 PRO 28 HB2 PRO 28 15.931 28.165 0.593 251 HB3 PRO 28 HB3 PRO 28 15.410 28.096 2.280 252 HG2 PRO 28 HG2 PRO 28 13.770 27.915 -0.218 253 HG3 PRO 28 HG3 PRO 28 13.657 26.952 1.267 254 HD2 PRO 28 HD2 PRO 28 11.979 29.009 0.732 255 HD3 PRO 28 HD3 PRO 28 12.473 28.584 2.384 256 H SER 29 H SER 29 17.265 29.668 0.202 257 HA SER 29 HA SER 29 16.553 31.320 -2.133 258 HB2 SER 29 HB2 SER 29 19.017 31.917 -2.214 259 HB3 SER 29 HB3 SER 29 18.117 32.603 -0.862 260 HG SER 29 HG SER 29 19.868 31.763 0.090 261 H GLN 30 H GLN 30 18.528 30.910 -3.829 262 HA GLN 30 HA GLN 30 18.079 28.286 -4.790 263 HB2 GLN 30 HB2 GLN 30 19.620 30.654 -5.649 264 HB3 GLN 30 HB3 GLN 30 20.224 29.109 -6.233 265 HG2 GLN 30 HG2 GLN 30 18.379 28.711 -7.517 266 HG3 GLN 30 HG3 GLN 30 17.322 29.685 -6.496 267 HE21 GLN 30 HE21 GLN 30 17.036 30.044 -9.092 268 HE22 GLN 30 HE22 GLN 30 17.739 31.531 -9.618 269 H ASP 31 H ASP 31 20.315 29.562 -2.560 270 HA ASP 31 HA ASP 31 22.447 27.718 -2.976 271 HB2 ASP 31 HB2 ASP 31 21.690 29.513 -0.675 272 HB3 ASP 31 HB3 ASP 31 23.088 28.443 -0.608 273 H ASP 32 H ASP 32 19.710 27.837 -0.723 274 HA ASP 32 HA ASP 32 20.401 25.317 0.486 275 HB2 ASP 32 HB2 ASP 32 19.037 27.394 1.439 276 HB3 ASP 32 HB3 ASP 32 17.676 26.487 0.786 277 H VAL 33 H VAL 33 18.367 26.420 -2.110 278 HA VAL 33 HA VAL 33 16.760 24.070 -2.303 279 HB VAL 33 HB VAL 33 17.334 26.213 -4.354 280 HG11 VAL 33 HG11 VAL 33 14.904 25.110 -4.984 281 HG12 VAL 33 HG12 VAL 33 16.430 24.763 -5.800 282 HG13 VAL 33 HG13 VAL 33 15.855 23.701 -4.514 283 HG21 VAL 33 HG21 VAL 33 15.780 27.468 -3.364 284 HG22 VAL 33 HG22 VAL 33 14.664 26.109 -3.229 285 HG23 VAL 33 HG23 VAL 33 15.894 26.365 -1.992 286 H GLU 34 H GLU 34 19.565 25.269 -4.138 287 HA GLU 34 HA GLU 34 19.761 22.878 -5.707 288 HB2 GLU 34 HB2 GLU 34 20.619 25.380 -6.126 289 HB3 GLU 34 HB3 GLU 34 22.093 24.702 -5.449 290 HG2 GLU 34 HG2 GLU 34 21.211 22.834 -7.327 291 HG3 GLU 34 HG3 GLU 34 20.986 24.412 -8.082 292 H ALA 35 H ALA 35 20.494 23.532 -2.550 293 HA ALA 35 HA ALA 35 22.984 22.153 -2.292 294 HB1 ALA 35 HB1 ALA 35 21.905 22.058 0.201 295 HB2 ALA 35 HB2 ALA 35 22.813 23.423 -0.450 296 HB3 ALA 35 HB3 ALA 35 21.050 23.433 -0.498 297 H ALA 36 H ALA 36 19.615 21.233 -2.215 298 HA ALA 36 HA ALA 36 20.181 18.582 -1.190 299 HB1 ALA 36 HB1 ALA 36 18.063 18.707 -0.549 300 HB2 ALA 36 HB2 ALA 36 17.880 20.239 -1.405 301 HB3 ALA 36 HB3 ALA 36 17.556 18.719 -2.238 302 HA PRO 37 HA PRO 37 20.634 16.431 -4.987 303 HB2 PRO 37 HB2 PRO 37 19.240 14.145 -4.541 304 HB3 PRO 37 HB3 PRO 37 20.789 14.492 -3.765 305 HG2 PRO 37 HG2 PRO 37 18.016 14.799 -2.679 306 HG3 PRO 37 HG3 PRO 37 19.463 14.149 -1.886 307 HD2 PRO 37 HD2 PRO 37 18.572 16.670 -1.453 308 HD3 PRO 37 HD3 PRO 37 20.295 16.245 -1.407 309 H GLU 38 H GLU 38 19.212 14.984 -6.577 310 HA GLU 38 HA GLU 38 17.311 16.718 -7.727 311 HB2 GLU 38 HB2 GLU 38 18.718 14.907 -8.869 312 HB3 GLU 38 HB3 GLU 38 17.499 13.770 -8.309 313 HG2 GLU 38 HG2 GLU 38 16.443 14.189 -10.214 314 HG3 GLU 38 HG3 GLU 38 15.999 15.737 -9.499 315 H GLU 39 H GLU 39 16.778 13.451 -6.389 316 HA GLU 39 HA GLU 39 14.037 13.420 -6.409 317 HB2 GLU 39 HB2 GLU 39 16.072 12.149 -4.624 318 HB3 GLU 39 HB3 GLU 39 14.368 11.997 -4.217 319 HG2 GLU 39 HG2 GLU 39 14.006 10.489 -5.812 320 HG3 GLU 39 HG3 GLU 39 14.925 11.400 -7.008 321 H THR 40 H THR 40 16.052 14.412 -3.638 322 HA THR 40 HA THR 40 13.994 15.267 -1.975 323 HB THR 40 HB THR 40 16.793 16.402 -2.146 324 HG1 THR 40 HG1 THR 40 17.177 14.856 -0.458 325 HG21 THR 40 HG21 THR 40 14.528 16.838 -0.297 326 HG22 THR 40 HG22 THR 40 15.874 17.899 -0.712 327 HG23 THR 40 HG23 THR 40 16.106 16.594 0.450 328 H ARG 41 H ARG 41 15.760 17.029 -4.480 329 HA ARG 41 HA ARG 41 14.770 19.588 -3.988 330 HB2 ARG 41 HB2 ARG 41 15.964 18.185 -6.307 331 HB3 ARG 41 HB3 ARG 41 15.042 19.637 -6.673 332 HG2 ARG 41 HG2 ARG 41 16.459 20.987 -5.352 333 HG3 ARG 41 HG3 ARG 41 17.229 19.580 -4.616 334 HD2 ARG 41 HD2 ARG 41 18.803 19.734 -6.180 335 HD3 ARG 41 HD3 ARG 41 17.586 19.236 -7.354 336 HE ARG 41 HE ARG 41 18.648 21.893 -6.964 337 HH11 ARG 41 HH11 ARG 41 16.069 19.964 -8.285 338 HH12 ARG 41 HH12 ARG 41 15.584 21.165 -9.435 339 HH21 ARG 41 HH21 ARG 41 18.018 23.483 -8.473 340 HH22 ARG 41 HH22 ARG 41 16.694 23.166 -9.542 341 H ALA 42 H ALA 42 13.453 16.988 -6.008 342 HA ALA 42 HA ALA 42 11.271 18.414 -7.052 343 HB1 ALA 42 HB1 ALA 42 11.557 15.455 -6.546 344 HB2 ALA 42 HB2 ALA 42 10.305 16.202 -7.538 345 HB3 ALA 42 HB3 ALA 42 11.998 16.318 -8.020 346 H LEU 43 H LEU 43 11.415 16.176 -4.280 347 HA LEU 43 HA LEU 43 8.745 16.501 -3.481 348 HB2 LEU 43 HB2 LEU 43 11.032 15.919 -1.621 349 HB3 LEU 43 HB3 LEU 43 9.350 15.418 -1.464 350 HG LEU 43 HG LEU 43 10.732 14.413 -3.860 351 HD11 LEU 43 HD11 LEU 43 11.488 12.614 -1.854 352 HD12 LEU 43 HD12 LEU 43 11.998 14.206 -1.292 353 HD13 LEU 43 HD13 LEU 43 12.540 13.610 -2.861 354 HD21 LEU 43 HD21 LEU 43 8.639 13.502 -3.566 355 HD22 LEU 43 HD22 LEU 43 8.788 13.450 -1.809 356 HD23 LEU 43 HD23 LEU 43 9.657 12.280 -2.804 357 H TYR 44 H TYR 44 11.701 18.171 -2.462 358 HA TYR 44 HA TYR 44 10.516 19.775 -0.477 359 HB2 TYR 44 HB2 TYR 44 12.798 19.817 -0.277 360 HB3 TYR 44 HB3 TYR 44 13.061 19.822 -2.017 361 HD1 TYR 44 HD2 TYR 44 11.407 22.090 0.462 362 HD2 TYR 44 HD1 TYR 44 14.124 21.707 -2.790 363 HE1 TYR 44 HE2 TYR 44 11.831 24.512 0.538 364 HE2 TYR 44 HE1 TYR 44 14.556 24.127 -2.722 365 HH TYR 44 HH TYR 44 12.648 26.282 -0.823 366 H ARG 45 H ARG 45 11.542 20.726 -3.763 367 HA ARG 45 HA ARG 45 10.360 23.241 -3.776 368 HB2 ARG 45 HB2 ARG 45 11.917 21.918 -5.511 369 HB3 ARG 45 HB3 ARG 45 10.372 21.718 -6.325 370 HG2 ARG 45 HG2 ARG 45 10.208 24.317 -5.895 371 HG3 ARG 45 HG3 ARG 45 11.966 24.174 -5.852 372 HD2 ARG 45 HD2 ARG 45 10.989 22.666 -8.059 373 HD3 ARG 45 HD3 ARG 45 10.254 24.268 -8.110 374 HE ARG 45 HE ARG 45 13.098 24.293 -7.664 375 HH11 ARG 45 HH11 ARG 45 10.559 24.255 -10.046 376 HH12 ARG 45 HH12 ARG 45 11.540 24.951 -11.293 377 HH21 ARG 45 HH21 ARG 45 14.400 25.209 -9.297 378 HH22 ARG 45 HH22 ARG 45 13.725 25.492 -10.866 379 H GLU 46 H GLU 46 8.936 20.111 -4.136 380 HA GLU 46 HA GLU 46 6.541 20.924 -5.438 381 HB2 GLU 46 HB2 GLU 46 7.206 18.611 -5.529 382 HB3 GLU 46 HB3 GLU 46 7.200 18.491 -3.775 383 HG2 GLU 46 HG2 GLU 46 4.808 18.741 -3.717 384 HG3 GLU 46 HG3 GLU 46 4.762 19.023 -5.456 385 H TYR 47 H TYR 47 7.172 20.003 -2.049 386 HA TYR 47 HA TYR 47 4.631 20.909 -1.141 387 HB2 TYR 47 HB2 TYR 47 5.828 19.162 0.059 388 HB3 TYR 47 HB3 TYR 47 7.160 20.264 0.389 389 HD1 TYR 47 HD1 TYR 47 6.834 22.153 1.971 390 HD2 TYR 47 HD2 TYR 47 3.858 19.166 1.402 391 HE1 TYR 47 HE1 TYR 47 5.751 22.841 4.069 392 HE2 TYR 47 HE2 TYR 47 2.766 19.846 3.498 393 HH TYR 47 HH TYR 47 3.763 21.114 5.764 394 H ARG 48 H ARG 48 7.738 22.396 -1.565 395 HA ARG 48 HA ARG 48 7.252 24.643 0.138 396 HB2 ARG 48 HB2 ARG 48 9.525 24.135 -0.246 397 HB3 ARG 48 HB3 ARG 48 9.295 24.037 -1.987 398 HG2 ARG 48 HG2 ARG 48 8.715 26.641 -0.717 399 HG3 ARG 48 HG3 ARG 48 10.405 26.137 -0.777 400 HD2 ARG 48 HD2 ARG 48 9.446 25.556 -3.307 401 HD3 ARG 48 HD3 ARG 48 8.667 27.084 -2.901 402 HE ARG 48 HE ARG 48 11.459 27.118 -2.321 403 HH11 ARG 48 HH11 ARG 48 9.122 27.423 -4.883 404 HH12 ARG 48 HH12 ARG 48 10.147 28.403 -5.878 405 HH21 ARG 48 HH21 ARG 48 12.818 28.408 -3.622 406 HH22 ARG 48 HH22 ARG 48 12.250 28.962 -5.161 407 H THR 49 H THR 49 7.168 24.132 -3.379 408 HA THR 49 HA THR 49 6.329 26.774 -3.997 409 HB THR 49 HB THR 49 6.104 24.233 -5.622 410 HG1 THR 49 HG1 THR 49 8.044 24.808 -6.430 411 HG21 THR 49 HG21 THR 49 5.274 27.020 -6.154 412 HG22 THR 49 HG22 THR 49 4.662 25.507 -6.823 413 HG23 THR 49 HG23 THR 49 6.154 26.210 -7.449 414 H LEU 50 H LEU 50 4.627 23.758 -3.365 415 HA LEU 50 HA LEU 50 2.056 24.711 -4.140 416 HB2 LEU 50 HB2 LEU 50 3.085 22.348 -2.635 417 HB3 LEU 50 HB3 LEU 50 1.361 22.716 -2.591 418 HG LEU 50 HG LEU 50 2.669 22.536 -5.253 419 HD11 LEU 50 HD11 LEU 50 1.814 19.960 -4.780 420 HD12 LEU 50 HD12 LEU 50 2.680 20.383 -3.303 421 HD13 LEU 50 HD13 LEU 50 3.490 20.503 -4.865 422 HD21 LEU 50 HD21 LEU 50 0.058 21.361 -4.371 423 HD22 LEU 50 HD22 LEU 50 0.550 21.907 -5.974 424 HD23 LEU 50 HD23 LEU 50 0.212 23.086 -4.706 425 H LYS 51 H LYS 51 3.727 24.391 -1.030 426 HA LYS 51 HA LYS 51 1.563 25.331 0.546 427 HB2 LYS 51 HB2 LYS 51 3.347 24.015 1.538 428 HB3 LYS 51 HB3 LYS 51 4.532 25.242 1.112 429 HG2 LYS 51 HG2 LYS 51 2.378 26.351 2.688 430 HG3 LYS 51 HG3 LYS 51 3.167 25.004 3.511 431 HD2 LYS 51 HD2 LYS 51 4.930 26.995 2.207 432 HD3 LYS 51 HD3 LYS 51 4.061 27.524 3.649 433 HE2 LYS 51 HE2 LYS 51 5.191 24.901 4.036 434 HE3 LYS 51 HE3 LYS 51 6.434 26.047 3.536 435 HZ1 LYS 51 HZ1 LYS 51 6.433 26.914 5.557 436 HZ2 LYS 51 HZ2 LYS 51 5.311 25.752 6.060 437 HZ3 LYS 51 HZ3 LYS 51 4.776 27.246 5.472 438 H ARG 52 H ARG 52 4.348 26.904 -0.950 439 HA ARG 52 HA ARG 52 3.952 29.446 0.230 440 HB2 ARG 52 HB2 ARG 52 5.508 28.400 -2.093 441 HB3 ARG 52 HB3 ARG 52 5.272 30.137 -1.956 442 HG2 ARG 52 HG2 ARG 52 6.097 29.076 0.571 443 HG3 ARG 52 HG3 ARG 52 7.211 28.557 -0.695 444 HD2 ARG 52 HD2 ARG 52 7.790 30.735 0.411 445 HD3 ARG 52 HD3 ARG 52 7.649 30.799 -1.346 446 HE ARG 52 HE ARG 52 5.917 32.263 -1.103 447 HH11 ARG 52 HH11 ARG 52 6.378 30.569 1.903 448 HH12 ARG 52 HH12 ARG 52 5.219 31.523 2.769 449 HH21 ARG 52 HH21 ARG 52 4.389 33.526 0.026 450 HH22 ARG 52 HH22 ARG 52 4.088 33.204 1.700 451 H THR 53 H THR 53 3.107 28.190 -2.995 452 HA THR 53 HA THR 53 1.767 30.507 -3.872 453 HB THR 53 HB THR 53 0.741 29.051 -5.591 454 HG1 THR 53 HG1 THR 53 1.093 26.848 -5.530 455 HG21 THR 53 HG21 THR 53 3.672 28.957 -5.017 456 HG22 THR 53 HG22 THR 53 2.806 29.785 -6.312 457 HG23 THR 53 HG23 THR 53 3.029 28.037 -6.377 458 H THR 54 H THR 54 0.467 27.441 -2.599 459 HA THR 54 HA THR 54 -2.229 28.272 -2.580 460 HB THR 54 HB THR 54 -0.881 26.142 -0.909 461 HG1 THR 54 HG1 THR 54 -2.337 25.981 -3.358 462 HG21 THR 54 HG21 THR 54 -2.836 26.085 0.188 463 HG22 THR 54 HG22 THR 54 -3.505 25.399 -1.292 464 HG23 THR 54 HG23 THR 54 -3.625 27.132 -0.991 465 H GLY 55 H GLY 55 0.402 28.821 -0.397 466 HA2 GLY 55 HA2 GLY 55 0.532 30.270 1.397 467 HA3 GLY 55 HA3 GLY 55 -1.149 30.700 1.114 468 H GLN 56 H GLN 56 -0.435 27.356 1.459 469 HA GLN 56 HA GLN 56 -1.436 27.431 4.229 470 HB2 GLN 56 HB2 GLN 56 -2.971 26.522 2.327 471 HB3 GLN 56 HB3 GLN 56 -1.935 25.103 2.405 472 HG2 GLN 56 HG2 GLN 56 -2.502 25.404 5.013 473 HG3 GLN 56 HG3 GLN 56 -3.967 26.076 4.299 474 HE21 GLN 56 HE21 GLN 56 -2.229 23.256 5.054 475 HE22 GLN 56 HE22 GLN 56 -3.319 22.111 4.357 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.373 -1.276 -1.486 2 HA2 GLY 1 HA2 GLY 1 1.933 0.539 -3.635 3 HA3 GLY 1 HA3 GLY 1 1.426 1.248 -2.109 4 H SER 2 H SER 2 2.994 2.819 -2.020 5 HA SER 2 HA SER 2 5.795 1.966 -2.088 6 HB2 SER 2 HB2 SER 2 5.341 4.813 -1.655 7 HB3 SER 2 HB3 SER 2 6.263 4.003 -2.922 8 HG SER 2 HG SER 2 4.644 4.832 -4.053 9 H MET 3 H MET 3 6.371 1.149 -0.159 10 HA MET 3 HA MET 3 5.442 2.382 2.303 11 HB2 MET 3 HB2 MET 3 6.307 -0.217 1.533 12 HB3 MET 3 HB3 MET 3 7.394 0.359 2.789 13 HG2 MET 3 HG2 MET 3 5.750 0.434 4.377 14 HG3 MET 3 HG3 MET 3 4.465 0.656 3.191 15 HE1 MET 3 HE1 MET 3 2.662 -1.960 3.497 16 HE2 MET 3 HE2 MET 3 3.385 -2.300 5.070 17 HE3 MET 3 HE3 MET 3 3.154 -0.631 4.547 18 H GLU 4 H GLU 4 8.670 1.290 1.248 19 HA GLU 4 HA GLU 4 10.155 2.811 3.007 20 HB2 GLU 4 HB2 GLU 4 11.974 2.670 1.213 21 HB3 GLU 4 HB3 GLU 4 11.317 1.155 1.815 22 HG2 GLU 4 HG2 GLU 4 9.976 0.877 -0.141 23 HG3 GLU 4 HG3 GLU 4 10.396 2.490 -0.716 24 H ARG 5 H ARG 5 8.937 3.698 -0.191 25 HA ARG 5 HA ARG 5 10.224 6.211 -0.338 26 HB2 ARG 5 HB2 ARG 5 9.163 4.901 -2.242 27 HB3 ARG 5 HB3 ARG 5 7.613 5.497 -1.665 28 HG2 ARG 5 HG2 ARG 5 8.196 6.962 -3.377 29 HG3 ARG 5 HG3 ARG 5 8.624 7.830 -1.902 30 HD2 ARG 5 HD2 ARG 5 10.727 8.005 -2.590 31 HD3 ARG 5 HD3 ARG 5 10.852 6.250 -2.708 32 HE ARG 5 HE ARG 5 9.514 7.181 -4.976 33 HH11 ARG 5 HH11 ARG 5 12.669 7.352 -3.513 34 HH12 ARG 5 HH12 ARG 5 13.502 7.524 -5.022 35 HH21 ARG 5 HH21 ARG 5 10.600 7.407 -6.969 36 HH22 ARG 5 HH22 ARG 5 12.325 7.556 -6.987 37 H LEU 6 H LEU 6 7.095 5.181 0.919 38 HA LEU 6 HA LEU 6 6.006 7.739 1.358 39 HB2 LEU 6 HB2 LEU 6 4.530 5.908 1.409 40 HB3 LEU 6 HB3 LEU 6 5.507 5.052 2.601 41 HG LEU 6 HG LEU 6 4.484 7.596 3.589 42 HD11 LEU 6 HD11 LEU 6 2.561 5.492 2.628 43 HD12 LEU 6 HD12 LEU 6 2.579 7.211 2.236 44 HD13 LEU 6 HD13 LEU 6 2.156 6.683 3.865 45 HD21 LEU 6 HD21 LEU 6 5.472 5.359 4.686 46 HD22 LEU 6 HD22 LEU 6 3.749 5.000 4.792 47 HD23 LEU 6 HD23 LEU 6 4.393 6.461 5.542 48 H ARG 7 H ARG 7 7.530 5.508 3.691 49 HA ARG 7 HA ARG 7 7.583 7.319 5.833 50 HB2 ARG 7 HB2 ARG 7 7.903 4.841 5.996 51 HB3 ARG 7 HB3 ARG 7 9.519 5.054 5.336 52 HG2 ARG 7 HG2 ARG 7 10.352 5.851 7.272 53 HG3 ARG 7 HG3 ARG 7 8.862 6.699 7.690 54 HD2 ARG 7 HD2 ARG 7 9.233 4.911 9.264 55 HD3 ARG 7 HD3 ARG 7 7.832 4.529 8.265 56 HE ARG 7 HE ARG 7 10.132 3.387 7.119 57 HH11 ARG 7 HH11 ARG 7 8.036 3.032 9.875 58 HH12 ARG 7 HH12 ARG 7 8.328 1.332 10.042 59 HH21 ARG 7 HH21 ARG 7 10.525 1.150 7.328 60 HH22 ARG 7 HH22 ARG 7 9.744 0.263 8.593 61 H ASP 8 H ASP 8 9.883 6.688 3.242 62 HA ASP 8 HA ASP 8 12.012 8.230 4.275 63 HB2 ASP 8 HB2 ASP 8 12.277 6.557 2.470 64 HB3 ASP 8 HB3 ASP 8 11.370 7.607 1.385 65 H VAL 9 H VAL 9 9.699 9.014 1.671 66 HA VAL 9 HA VAL 9 10.445 11.700 1.401 67 HB VAL 9 HB VAL 9 7.759 10.435 0.837 68 HG11 VAL 9 HG11 VAL 9 8.772 13.165 0.534 69 HG12 VAL 9 HG12 VAL 9 8.047 12.494 -0.929 70 HG13 VAL 9 HG13 VAL 9 7.114 12.566 0.567 71 HG21 VAL 9 HG21 VAL 9 8.572 9.664 -1.111 72 HG22 VAL 9 HG22 VAL 9 9.565 11.096 -1.380 73 HG23 VAL 9 HG23 VAL 9 10.141 9.810 -0.319 74 H ARG 10 H ARG 10 7.741 10.265 3.223 75 HA ARG 10 HA ARG 10 6.651 12.593 4.256 76 HB2 ARG 10 HB2 ARG 10 5.522 10.473 4.501 77 HB3 ARG 10 HB3 ARG 10 6.832 9.841 5.489 78 HG2 ARG 10 HG2 ARG 10 5.710 12.282 6.582 79 HG3 ARG 10 HG3 ARG 10 4.506 11.006 6.397 80 HD2 ARG 10 HD2 ARG 10 7.158 10.367 7.611 81 HD3 ARG 10 HD3 ARG 10 5.932 11.181 8.584 82 HE ARG 10 HE ARG 10 5.970 8.438 7.839 83 HH11 ARG 10 HH11 ARG 10 3.839 11.125 8.435 84 HH12 ARG 10 HH12 ARG 10 2.497 10.129 8.891 85 HH21 ARG 10 HH21 ARG 10 4.211 7.115 8.438 86 HH22 ARG 10 HH22 ARG 10 2.710 7.848 8.893 87 H GLU 11 H GLU 11 9.131 10.503 5.734 88 HA GLU 11 HA GLU 11 9.546 12.110 8.008 89 HB2 GLU 11 HB2 GLU 11 10.269 9.700 7.665 90 HB3 GLU 11 HB3 GLU 11 11.614 10.329 6.724 91 HG2 GLU 11 HG2 GLU 11 12.370 9.885 8.944 92 HG3 GLU 11 HG3 GLU 11 12.333 11.630 8.701 93 H ARG 12 H ARG 12 11.140 12.023 4.851 94 HA ARG 12 HA ARG 12 13.198 13.839 5.394 95 HB2 ARG 12 HB2 ARG 12 13.126 12.432 3.379 96 HB3 ARG 12 HB3 ARG 12 11.756 13.357 2.781 97 HG2 ARG 12 HG2 ARG 12 13.162 14.738 1.781 98 HG3 ARG 12 HG3 ARG 12 13.790 15.213 3.361 99 HD2 ARG 12 HD2 ARG 12 14.769 12.675 2.161 100 HD3 ARG 12 HD3 ARG 12 15.354 14.195 1.485 101 HE ARG 12 HE ARG 12 15.557 14.115 4.335 102 HH11 ARG 12 HH11 ARG 12 17.085 13.120 1.369 103 HH12 ARG 12 HH12 ARG 12 18.671 13.033 2.063 104 HH21 ARG 12 HH21 ARG 12 17.640 14.004 5.259 105 HH22 ARG 12 HH22 ARG 12 18.985 13.535 4.276 106 H LEU 13 H LEU 13 9.956 14.400 4.044 107 HA LEU 13 HA LEU 13 10.210 17.181 3.735 108 HB2 LEU 13 HB2 LEU 13 8.276 15.269 3.220 109 HB3 LEU 13 HB3 LEU 13 7.521 16.319 4.418 110 HG LEU 13 HG LEU 13 8.669 17.221 1.776 111 HD11 LEU 13 HD11 LEU 13 6.450 17.425 0.994 112 HD12 LEU 13 HD12 LEU 13 5.777 17.100 2.591 113 HD13 LEU 13 HD13 LEU 13 6.578 15.811 1.693 114 HD21 LEU 13 HD21 LEU 13 6.821 18.970 3.202 115 HD22 LEU 13 HD22 LEU 13 8.358 19.339 2.420 116 HD23 LEU 13 HD23 LEU 13 8.336 18.697 4.063 117 H GLN 14 H GLN 14 8.848 15.253 6.392 118 HA GLN 14 HA GLN 14 7.971 17.298 8.031 119 HB2 GLN 14 HB2 GLN 14 9.200 14.645 8.794 120 HB3 GLN 14 HB3 GLN 14 8.363 15.706 9.919 121 HG2 GLN 14 HG2 GLN 14 6.839 15.062 7.506 122 HG3 GLN 14 HG3 GLN 14 7.213 13.677 8.530 123 HE21 GLN 14 HE21 GLN 14 5.981 16.993 8.722 124 HE22 GLN 14 HE22 GLN 14 4.821 16.676 9.962 125 H ALA 15 H ALA 15 11.063 15.578 8.498 126 HA ALA 15 HA ALA 15 12.174 17.369 10.303 127 HB1 ALA 15 HB1 ALA 15 13.319 15.360 8.420 128 HB2 ALA 15 HB2 ALA 15 14.403 16.453 9.283 129 HB3 ALA 15 HB3 ALA 15 13.326 15.385 10.184 130 H TRP 16 H TRP 16 12.288 17.375 6.770 131 HA TRP 16 HA TRP 16 14.159 19.347 6.316 132 HB2 TRP 16 HB2 TRP 16 13.260 18.172 4.449 133 HB3 TRP 16 HB3 TRP 16 11.618 18.681 4.832 134 HD1 TRP 16 HD1 TRP 16 10.800 20.409 3.147 135 HE1 TRP 16 HE1 TRP 16 11.844 22.364 1.839 136 HE3 TRP 16 HE3 TRP 16 15.618 20.020 4.814 137 HZ2 TRP 16 HZ2 TRP 16 14.375 23.581 1.552 138 HZ3 TRP 16 HZ3 TRP 16 17.289 21.618 3.974 139 HH2 TRP 16 HH2 TRP 16 16.679 23.360 2.376 140 H GLU 17 H GLU 17 10.695 20.081 6.006 141 HA GLU 17 HA GLU 17 10.964 22.830 6.326 142 HB2 GLU 17 HB2 GLU 17 8.566 22.893 6.653 143 HB3 GLU 17 HB3 GLU 17 8.956 21.712 5.411 144 HG2 GLU 17 HG2 GLU 17 7.432 20.530 6.611 145 HG3 GLU 17 HG3 GLU 17 8.909 20.046 7.443 146 H ARG 18 H ARG 18 10.701 20.291 8.705 147 HA ARG 18 HA ARG 18 9.928 21.697 10.957 148 HB2 ARG 18 HB2 ARG 18 11.497 19.245 10.441 149 HB3 ARG 18 HB3 ARG 18 11.730 19.979 12.022 150 HG2 ARG 18 HG2 ARG 18 9.053 19.231 10.866 151 HG3 ARG 18 HG3 ARG 18 9.984 18.230 11.982 152 HD2 ARG 18 HD2 ARG 18 9.119 19.339 13.699 153 HD3 ARG 18 HD3 ARG 18 9.819 20.836 13.084 154 HE ARG 18 HE ARG 18 7.737 21.468 12.395 155 HH11 ARG 18 HH11 ARG 18 7.751 18.024 12.903 156 HH12 ARG 18 HH12 ARG 18 6.047 17.848 12.646 157 HH21 ARG 18 HH21 ARG 18 5.492 21.249 12.055 158 HH22 ARG 18 HH22 ARG 18 4.763 19.683 12.163 159 H ALA 19 H ALA 19 13.327 20.783 10.451 160 HA ALA 19 HA ALA 19 14.326 22.801 12.150 161 HB1 ALA 19 HB1 ALA 19 16.223 21.662 11.941 162 HB2 ALA 19 HB2 ALA 19 15.364 20.568 10.855 163 HB3 ALA 19 HB3 ALA 19 16.268 21.932 10.198 164 H PHE 20 H PHE 20 13.759 22.668 8.688 165 HA PHE 20 HA PHE 20 15.239 24.803 7.783 166 HB2 PHE 20 HB2 PHE 20 14.181 23.734 6.050 167 HB3 PHE 20 HB3 PHE 20 12.673 23.553 6.941 168 HD1 PHE 20 HD2 PHE 20 14.803 26.194 5.400 169 HD2 PHE 20 HD1 PHE 20 10.875 24.864 6.360 170 HE1 PHE 20 HE2 PHE 20 13.859 28.113 4.182 171 HE2 PHE 20 HE1 PHE 20 9.925 26.780 5.143 172 HZ PHE 20 HZ PHE 20 11.418 28.408 4.053 173 H ARG 21 H ARG 21 11.781 25.034 8.635 174 HA ARG 21 HA ARG 21 11.793 27.862 8.738 175 HB2 ARG 21 HB2 ARG 21 9.737 26.655 8.322 176 HB3 ARG 21 HB3 ARG 21 9.853 25.846 9.879 177 HG2 ARG 21 HG2 ARG 21 8.966 27.577 10.983 178 HG3 ARG 21 HG3 ARG 21 9.864 28.768 10.039 179 HD2 ARG 21 HD2 ARG 21 8.148 29.112 8.649 180 HD3 ARG 21 HD3 ARG 21 7.830 27.386 8.482 181 HE ARG 21 HE ARG 21 6.949 28.219 11.007 182 HH11 ARG 21 HH11 ARG 21 6.166 28.638 7.641 183 HH12 ARG 21 HH12 ARG 21 4.480 28.910 7.933 184 HH21 ARG 21 HH21 ARG 21 4.732 28.575 11.405 185 HH22 ARG 21 HH22 ARG 21 3.665 28.874 10.074 186 H ARG 22 H ARG 22 13.024 25.576 10.863 187 HA ARG 22 HA ARG 22 12.492 26.925 13.332 188 HB2 ARG 22 HB2 ARG 22 13.298 24.414 12.718 189 HB3 ARG 22 HB3 ARG 22 14.838 25.136 13.164 190 HG2 ARG 22 HG2 ARG 22 14.266 25.353 15.348 191 HG3 ARG 22 HG3 ARG 22 12.553 25.588 14.990 192 HD2 ARG 22 HD2 ARG 22 12.136 23.326 14.850 193 HD3 ARG 22 HD3 ARG 22 13.808 22.936 14.450 194 HE ARG 22 HE ARG 22 13.576 23.989 17.084 195 HH11 ARG 22 HH11 ARG 22 13.108 21.113 15.180 196 HH12 ARG 22 HH12 ARG 22 13.332 20.034 16.517 197 HH21 ARG 22 HH21 ARG 22 13.872 22.580 18.853 198 HH22 ARG 22 HH22 ARG 22 13.765 20.869 18.606 199 H GLN 23 H GLN 23 15.319 26.663 11.194 200 HA GLN 23 HA GLN 23 16.659 28.764 12.728 201 HB2 GLN 23 HB2 GLN 23 18.643 28.184 11.363 202 HB3 GLN 23 HB3 GLN 23 18.008 26.812 12.262 203 HG2 GLN 23 HG2 GLN 23 16.838 26.079 10.196 204 HG3 GLN 23 HG3 GLN 23 17.654 27.378 9.330 205 HE21 GLN 23 HE21 GLN 23 19.854 27.233 8.937 206 HE22 GLN 23 HE22 GLN 23 20.729 25.754 9.111 207 H ARG 24 H ARG 24 15.608 28.016 9.427 208 HA ARG 24 HA ARG 24 16.442 30.522 8.348 209 HB2 ARG 24 HB2 ARG 24 14.454 28.516 7.267 210 HB3 ARG 24 HB3 ARG 24 15.159 29.850 6.362 211 HG2 ARG 24 HG2 ARG 24 17.177 28.160 7.581 212 HG3 ARG 24 HG3 ARG 24 16.114 27.270 6.489 213 HD2 ARG 24 HD2 ARG 24 17.506 28.010 4.890 214 HD3 ARG 24 HD3 ARG 24 16.598 29.514 5.041 215 HE ARG 24 HE ARG 24 18.837 29.302 6.840 216 HH11 ARG 24 HH11 ARG 24 17.774 30.270 3.669 217 HH12 ARG 24 HH12 ARG 24 19.077 31.385 3.429 218 HH21 ARG 24 HH21 ARG 24 20.558 30.768 6.536 219 HH22 ARG 24 HH22 ARG 24 20.661 31.667 5.060 220 H GLY 25 H GLY 25 13.112 29.263 8.425 221 HA2 GLY 25 HA2 GLY 25 11.205 30.283 9.320 222 HA3 GLY 25 HA3 GLY 25 12.173 31.697 9.712 223 H ARG 26 H ARG 26 12.204 30.259 6.532 224 HA ARG 26 HA ARG 26 10.157 31.668 5.296 225 HB2 ARG 26 HB2 ARG 26 11.616 33.444 4.150 226 HB3 ARG 26 HB3 ARG 26 11.103 33.751 5.803 227 HG2 ARG 26 HG2 ARG 26 13.222 33.380 6.667 228 HG3 ARG 26 HG3 ARG 26 13.748 32.474 5.246 229 HD2 ARG 26 HD2 ARG 26 14.829 34.507 4.984 230 HD3 ARG 26 HD3 ARG 26 13.388 34.703 3.987 231 HE ARG 26 HE ARG 26 12.711 35.664 6.476 232 HH11 ARG 26 HH11 ARG 26 15.101 36.389 4.050 233 HH12 ARG 26 HH12 ARG 26 15.194 38.071 4.457 234 HH21 ARG 26 HH21 ARG 26 12.825 37.876 7.022 235 HH22 ARG 26 HH22 ARG 26 13.899 38.915 6.148 236 H ARG 27 H ARG 27 10.151 31.423 3.020 237 HA ARG 27 HA ARG 27 11.138 29.112 1.986 238 HB2 ARG 27 HB2 ARG 27 10.587 29.912 -0.177 239 HB3 ARG 27 HB3 ARG 27 9.467 30.695 0.930 240 HG2 ARG 27 HG2 ARG 27 10.035 32.551 -0.183 241 HG3 ARG 27 HG3 ARG 27 11.463 32.520 0.854 242 HD2 ARG 27 HD2 ARG 27 12.788 32.236 -0.907 243 HD3 ARG 27 HD3 ARG 27 11.878 30.810 -1.404 244 HE ARG 27 HE ARG 27 11.693 33.451 -2.507 245 HH11 ARG 27 HH11 ARG 27 9.993 30.458 -1.985 246 HH12 ARG 27 HH12 ARG 27 8.912 30.688 -3.319 247 HH21 ARG 27 HH21 ARG 27 10.274 33.766 -4.266 248 HH22 ARG 27 HH22 ARG 27 9.073 32.569 -4.616 249 HA PRO 28 HA PRO 28 15.508 29.693 1.640 250 HB2 PRO 28 HB2 PRO 28 16.025 27.541 0.067 251 HB3 PRO 28 HB3 PRO 28 15.659 27.405 1.791 252 HG2 PRO 28 HG2 PRO 28 13.858 27.000 -0.566 253 HG3 PRO 28 HG3 PRO 28 13.998 26.033 0.914 254 HD2 PRO 28 HD2 PRO 28 12.020 27.843 0.539 255 HD3 PRO 28 HD3 PRO 28 12.701 27.492 2.140 256 H SER 29 H SER 29 17.115 29.234 -0.403 257 HA SER 29 HA SER 29 15.995 30.767 -2.658 258 HB2 SER 29 HB2 SER 29 18.442 31.195 -1.053 259 HB3 SER 29 HB3 SER 29 18.641 31.361 -2.798 260 HG SER 29 HG SER 29 16.901 32.865 -2.755 261 H GLN 30 H GLN 30 17.490 30.557 -4.649 262 HA GLN 30 HA GLN 30 17.458 27.887 -5.491 263 HB2 GLN 30 HB2 GLN 30 18.507 28.651 -7.505 264 HB3 GLN 30 HB3 GLN 30 17.386 29.899 -6.979 265 HG2 GLN 30 HG2 GLN 30 19.294 31.118 -5.974 266 HG3 GLN 30 HG3 GLN 30 20.377 29.907 -6.659 267 HE21 GLN 30 HE21 GLN 30 20.765 29.889 -8.852 268 HE22 GLN 30 HE22 GLN 30 20.305 31.189 -9.893 269 H ASP 31 H ASP 31 19.780 29.629 -3.679 270 HA ASP 31 HA ASP 31 22.071 28.072 -4.382 271 HB2 ASP 31 HB2 ASP 31 21.465 29.972 -2.122 272 HB3 ASP 31 HB3 ASP 31 22.989 29.094 -2.216 273 H ASP 32 H ASP 32 19.880 28.097 -1.580 274 HA ASP 32 HA ASP 32 21.104 25.776 -0.413 275 HB2 ASP 32 HB2 ASP 32 19.510 27.806 0.548 276 HB3 ASP 32 HB3 ASP 32 18.404 26.435 0.512 277 H VAL 33 H VAL 33 18.501 26.399 -2.614 278 HA VAL 33 HA VAL 33 17.231 23.841 -2.297 279 HB VAL 33 HB VAL 33 16.944 25.931 -4.458 280 HG11 VAL 33 HG11 VAL 33 15.495 23.341 -3.989 281 HG12 VAL 33 HG12 VAL 33 14.783 24.666 -4.912 282 HG13 VAL 33 HG13 VAL 33 16.280 23.910 -5.461 283 HG21 VAL 33 HG21 VAL 33 15.429 26.947 -3.167 284 HG22 VAL 33 HG22 VAL 33 14.685 25.421 -2.689 285 HG23 VAL 33 HG23 VAL 33 16.112 26.012 -1.837 286 H GLU 34 H GLU 34 19.533 25.281 -4.554 287 HA GLU 34 HA GLU 34 19.603 22.997 -6.283 288 HB2 GLU 34 HB2 GLU 34 20.127 25.275 -7.080 289 HB3 GLU 34 HB3 GLU 34 21.548 25.300 -6.045 290 HG2 GLU 34 HG2 GLU 34 21.593 22.963 -7.699 291 HG3 GLU 34 HG3 GLU 34 21.357 24.401 -8.691 292 H ALA 35 H ALA 35 20.918 23.677 -3.259 293 HA ALA 35 HA ALA 35 23.391 22.273 -3.491 294 HB1 ALA 35 HB1 ALA 35 23.689 23.386 -1.592 295 HB2 ALA 35 HB2 ALA 35 21.962 23.715 -1.447 296 HB3 ALA 35 HB3 ALA 35 22.630 22.214 -0.807 297 H ALA 36 H ALA 36 20.107 21.333 -2.993 298 HA ALA 36 HA ALA 36 20.781 18.730 -1.909 299 HB1 ALA 36 HB1 ALA 36 18.673 18.699 -1.202 300 HB2 ALA 36 HB2 ALA 36 18.528 20.350 -1.806 301 HB3 ALA 36 HB3 ALA 36 18.052 18.992 -2.827 302 HA PRO 37 HA PRO 37 20.907 16.411 -5.632 303 HB2 PRO 37 HB2 PRO 37 19.506 14.172 -5.001 304 HB3 PRO 37 HB3 PRO 37 21.112 14.517 -4.346 305 HG2 PRO 37 HG2 PRO 37 18.426 14.922 -3.088 306 HG3 PRO 37 HG3 PRO 37 19.912 14.274 -2.370 307 HD2 PRO 37 HD2 PRO 37 19.098 16.826 -1.978 308 HD3 PRO 37 HD3 PRO 37 20.812 16.368 -2.032 309 H GLU 38 H GLU 38 19.398 14.997 -7.116 310 HA GLU 38 HA GLU 38 17.455 16.699 -8.198 311 HB2 GLU 38 HB2 GLU 38 18.743 14.703 -9.262 312 HB3 GLU 38 HB3 GLU 38 17.405 13.734 -8.660 313 HG2 GLU 38 HG2 GLU 38 15.841 14.882 -10.004 314 HG3 GLU 38 HG3 GLU 38 17.005 16.145 -10.403 315 H GLU 39 H GLU 39 16.867 13.497 -6.733 316 HA GLU 39 HA GLU 39 14.144 13.587 -6.547 317 HB2 GLU 39 HB2 GLU 39 16.154 12.388 -4.645 318 HB3 GLU 39 HB3 GLU 39 14.422 12.138 -4.476 319 HG2 GLU 39 HG2 GLU 39 14.593 10.416 -5.848 320 HG3 GLU 39 HG3 GLU 39 15.005 11.540 -7.141 321 H THR 40 H THR 40 16.377 14.608 -3.959 322 HA THR 40 HA THR 40 14.470 15.611 -2.203 323 HB THR 40 HB THR 40 17.301 16.591 -2.615 324 HG1 THR 40 HG1 THR 40 16.152 14.565 -0.982 325 HG21 THR 40 HG21 THR 40 16.866 17.060 -0.038 326 HG22 THR 40 HG22 THR 40 15.204 17.228 -0.604 327 HG23 THR 40 HG23 THR 40 16.473 18.251 -1.277 328 H ARG 41 H ARG 41 16.261 17.300 -4.766 329 HA ARG 41 HA ARG 41 15.358 19.873 -4.357 330 HB2 ARG 41 HB2 ARG 41 16.284 18.343 -6.732 331 HB3 ARG 41 HB3 ARG 41 15.476 19.877 -7.029 332 HG2 ARG 41 HG2 ARG 41 17.102 21.060 -5.735 333 HG3 ARG 41 HG3 ARG 41 17.840 19.550 -5.197 334 HD2 ARG 41 HD2 ARG 41 19.207 19.651 -6.945 335 HD3 ARG 41 HD3 ARG 41 17.810 19.449 -8.001 336 HE ARG 41 HE ARG 41 18.094 22.157 -7.213 337 HH11 ARG 41 HH11 ARG 41 19.450 19.744 -9.325 338 HH12 ARG 41 HH12 ARG 41 20.023 20.895 -10.486 339 HH21 ARG 41 HH21 ARG 41 18.843 23.682 -8.735 340 HH22 ARG 41 HH22 ARG 41 19.678 23.134 -10.149 341 H ALA 42 H ALA 42 13.781 17.241 -6.119 342 HA ALA 42 HA ALA 42 11.594 18.755 -7.074 343 HB1 ALA 42 HB1 ALA 42 11.080 15.916 -6.538 344 HB2 ALA 42 HB2 ALA 42 10.929 16.837 -8.035 345 HB3 ALA 42 HB3 ALA 42 12.507 16.240 -7.523 346 H LEU 43 H LEU 43 11.848 16.523 -4.304 347 HA LEU 43 HA LEU 43 9.268 16.887 -3.313 348 HB2 LEU 43 HB2 LEU 43 11.694 16.419 -1.600 349 HB3 LEU 43 HB3 LEU 43 10.034 15.916 -1.289 350 HG LEU 43 HG LEU 43 11.240 14.803 -3.733 351 HD11 LEU 43 HD11 LEU 43 12.702 14.733 -1.269 352 HD12 LEU 43 HD12 LEU 43 13.118 14.041 -2.836 353 HD13 LEU 43 HD13 LEU 43 12.152 13.111 -1.691 354 HD21 LEU 43 HD21 LEU 43 10.044 13.200 -1.536 355 HD22 LEU 43 HD22 LEU 43 9.867 13.038 -3.283 356 HD23 LEU 43 HD23 LEU 43 8.995 14.307 -2.422 357 H TYR 44 H TYR 44 12.279 18.518 -2.325 358 HA TYR 44 HA TYR 44 11.195 20.224 -0.423 359 HB2 TYR 44 HB2 TYR 44 13.581 20.476 -2.239 360 HB3 TYR 44 HB3 TYR 44 13.165 21.748 -1.095 361 HD1 TYR 44 HD2 TYR 44 12.243 18.560 0.151 362 HD2 TYR 44 HD1 TYR 44 15.575 21.164 -0.323 363 HE1 TYR 44 HE2 TYR 44 13.435 17.349 1.930 364 HE2 TYR 44 HE1 TYR 44 16.777 19.959 1.454 365 HH TYR 44 HH TYR 44 16.083 17.028 2.480 366 H ARG 45 H ARG 45 11.854 20.950 -3.853 367 HA ARG 45 HA ARG 45 10.717 23.500 -3.883 368 HB2 ARG 45 HB2 ARG 45 11.295 21.445 -5.977 369 HB3 ARG 45 HB3 ARG 45 10.338 22.856 -6.409 370 HG2 ARG 45 HG2 ARG 45 12.843 23.384 -4.946 371 HG3 ARG 45 HG3 ARG 45 13.007 22.761 -6.589 372 HD2 ARG 45 HD2 ARG 45 12.727 24.858 -7.286 373 HD3 ARG 45 HD3 ARG 45 11.039 24.695 -6.802 374 HE ARG 45 HE ARG 45 12.334 25.427 -4.515 375 HH11 ARG 45 HH11 ARG 45 12.073 26.750 -7.725 376 HH12 ARG 45 HH12 ARG 45 12.252 28.393 -7.204 377 HH21 ARG 45 HH21 ARG 45 12.570 27.586 -3.816 378 HH22 ARG 45 HH22 ARG 45 12.535 28.867 -4.980 379 H GLU 46 H GLU 46 9.249 20.362 -3.941 380 HA GLU 46 HA GLU 46 6.739 21.117 -5.027 381 HB2 GLU 46 HB2 GLU 46 7.688 18.761 -4.793 382 HB3 GLU 46 HB3 GLU 46 7.204 18.842 -3.105 383 HG2 GLU 46 HG2 GLU 46 5.079 18.417 -3.588 384 HG3 GLU 46 HG3 GLU 46 5.055 19.594 -4.899 385 H TYR 47 H TYR 47 7.637 20.349 -1.659 386 HA TYR 47 HA TYR 47 5.225 21.379 -0.576 387 HB2 TYR 47 HB2 TYR 47 6.541 19.686 0.599 388 HB3 TYR 47 HB3 TYR 47 7.878 20.819 0.767 389 HD1 TYR 47 HD2 TYR 47 4.270 20.448 1.648 390 HD2 TYR 47 HD1 TYR 47 8.055 22.080 2.705 391 HE1 TYR 47 HE2 TYR 47 3.330 21.232 3.782 392 HE2 TYR 47 HE1 TYR 47 7.126 22.866 4.842 393 HH TYR 47 HH TYR 47 3.975 21.920 5.935 394 H ARG 48 H ARG 48 8.272 22.794 -1.420 395 HA ARG 48 HA ARG 48 7.998 25.145 0.188 396 HB2 ARG 48 HB2 ARG 48 9.808 24.306 -2.049 397 HB3 ARG 48 HB3 ARG 48 9.777 25.986 -1.532 398 HG2 ARG 48 HG2 ARG 48 10.345 23.644 0.272 399 HG3 ARG 48 HG3 ARG 48 11.571 24.673 -0.472 400 HD2 ARG 48 HD2 ARG 48 11.402 25.773 1.499 401 HD3 ARG 48 HD3 ARG 48 10.060 26.560 0.671 402 HE ARG 48 HE ARG 48 9.366 24.174 2.151 403 HH11 ARG 48 HH11 ARG 48 9.660 27.643 2.186 404 HH12 ARG 48 HH12 ARG 48 8.560 27.853 3.508 405 HH21 ARG 48 HH21 ARG 48 7.916 24.438 3.891 406 HH22 ARG 48 HH22 ARG 48 7.569 26.030 4.478 407 H THR 49 H THR 49 7.428 24.378 -3.228 408 HA THR 49 HA THR 49 6.606 26.992 -3.963 409 HB THR 49 HB THR 49 6.045 24.332 -5.287 410 HG1 THR 49 HG1 THR 49 8.268 24.987 -5.194 411 HG21 THR 49 HG21 THR 49 5.923 26.227 -7.252 412 HG22 THR 49 HG22 THR 49 5.149 27.057 -5.901 413 HG23 THR 49 HG23 THR 49 4.524 25.505 -6.459 414 H LEU 50 H LEU 50 4.870 24.106 -2.900 415 HA LEU 50 HA LEU 50 2.268 25.170 -3.335 416 HB2 LEU 50 HB2 LEU 50 3.249 22.702 -2.810 417 HB3 LEU 50 HB3 LEU 50 2.598 23.138 -1.231 418 HG LEU 50 HG LEU 50 1.000 21.836 -2.538 419 HD11 LEU 50 HD11 LEU 50 -0.863 23.104 -2.019 420 HD12 LEU 50 HD12 LEU 50 -0.084 24.622 -2.467 421 HD13 LEU 50 HD13 LEU 50 0.375 23.802 -0.974 422 HD21 LEU 50 HD21 LEU 50 0.757 24.122 -4.458 423 HD22 LEU 50 HD22 LEU 50 0.174 22.465 -4.618 424 HD23 LEU 50 HD23 LEU 50 1.899 22.810 -4.749 425 H LYS 51 H LYS 51 4.363 24.909 -0.488 426 HA LYS 51 HA LYS 51 2.543 25.983 1.373 427 HB2 LYS 51 HB2 LYS 51 4.560 24.749 2.033 428 HB3 LYS 51 HB3 LYS 51 5.567 26.046 1.402 429 HG2 LYS 51 HG2 LYS 51 5.423 27.164 3.306 430 HG3 LYS 51 HG3 LYS 51 3.659 27.095 3.274 431 HD2 LYS 51 HD2 LYS 51 3.639 24.997 4.394 432 HD3 LYS 51 HD3 LYS 51 5.382 24.800 4.191 433 HE2 LYS 51 HE2 LYS 51 5.880 26.303 5.856 434 HE3 LYS 51 HE3 LYS 51 4.364 27.182 5.665 435 HZ1 LYS 51 HZ1 LYS 51 3.406 24.888 6.498 436 HZ2 LYS 51 HZ2 LYS 51 3.923 26.080 7.580 437 HZ3 LYS 51 HZ3 LYS 51 4.933 24.773 7.216 438 H ARG 52 H ARG 52 5.154 27.520 -0.491 439 HA ARG 52 HA ARG 52 4.765 30.120 0.510 440 HB2 ARG 52 HB2 ARG 52 6.163 28.916 -1.815 441 HB3 ARG 52 HB3 ARG 52 5.799 30.634 -1.912 442 HG2 ARG 52 HG2 ARG 52 7.268 29.361 0.383 443 HG3 ARG 52 HG3 ARG 52 8.058 30.092 -1.015 444 HD2 ARG 52 HD2 ARG 52 6.035 31.676 0.494 445 HD3 ARG 52 HD3 ARG 52 7.644 31.470 1.185 446 HE ARG 52 HE ARG 52 7.955 32.283 -1.461 447 HH11 ARG 52 HH11 ARG 52 6.691 33.529 1.534 448 HH12 ARG 52 HH12 ARG 52 7.036 35.181 1.144 449 HH21 ARG 52 HH21 ARG 52 8.415 34.455 -1.986 450 HH22 ARG 52 HH22 ARG 52 8.016 35.707 -0.859 451 H THR 53 H THR 53 3.677 28.664 -2.557 452 HA THR 53 HA THR 53 2.258 30.790 -3.583 453 HB THR 53 HB THR 53 1.590 27.848 -3.776 454 HG1 THR 53 HG1 THR 53 2.961 29.598 -5.564 455 HG21 THR 53 HG21 THR 53 0.186 30.194 -4.760 456 HG22 THR 53 HG22 THR 53 -0.318 28.504 -4.741 457 HG23 THR 53 HG23 THR 53 0.675 29.113 -6.064 458 H THR 54 H THR 54 0.844 28.111 -1.692 459 HA THR 54 HA THR 54 -1.676 29.339 -1.376 460 HB THR 54 HB THR 54 -1.152 26.877 -1.074 461 HG1 THR 54 HG1 THR 54 -2.715 26.742 0.717 462 HG21 THR 54 HG21 THR 54 -0.244 26.059 0.903 463 HG22 THR 54 HG22 THR 54 -0.545 27.560 1.779 464 HG23 THR 54 HG23 THR 54 0.751 27.480 0.586 465 H GLY 55 H GLY 55 1.327 29.762 0.260 466 HA2 GLY 55 HA2 GLY 55 1.937 31.308 1.856 467 HA3 GLY 55 HA3 GLY 55 0.307 31.958 1.772 468 H GLN 56 H GLN 56 1.249 28.651 2.587 469 HA GLN 56 HA GLN 56 -0.449 28.568 4.845 470 HB2 GLN 56 HB2 GLN 56 1.444 26.764 3.513 471 HB3 GLN 56 HB3 GLN 56 1.325 26.514 5.250 472 HG2 GLN 56 HG2 GLN 56 -1.180 26.737 3.664 473 HG3 GLN 56 HG3 GLN 56 -0.243 25.246 3.576 474 HE21 GLN 56 HE21 GLN 56 0.393 24.339 5.742 475 HE22 GLN 56 HE22 GLN 56 -0.805 24.376 6.986
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