NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
462839 | 2jpf | 15746 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 H LYS 1 13.608 71.382 50.690 2 HA LYS 1 HA LYS 1 13.429 73.252 52.893 3 HB2 LYS 1 HB2 LYS 1 11.773 72.031 54.145 4 HB3 LYS 1 HB3 LYS 1 11.094 72.444 52.576 5 HG2 LYS 1 HG2 LYS 1 12.378 69.869 52.483 6 HG3 LYS 1 HG3 LYS 1 11.179 69.934 53.778 7 HD2 LYS 1 HD2 LYS 1 9.456 70.029 52.337 8 HD3 LYS 1 HD3 LYS 1 10.299 71.137 51.253 9 HE2 LYS 1 HE2 LYS 1 11.732 68.957 50.763 10 HE3 LYS 1 HE3 LYS 1 10.244 68.166 51.281 11 HZ1 LYS 1 HZ1 LYS 1 9.305 68.626 49.343 12 HZ2 LYS 1 HZ2 LYS 1 10.796 69.201 48.785 13 HZ3 LYS 1 HZ3 LYS 1 9.679 70.271 49.469 14 H GLN 2 H GLN 2 14.494 72.548 54.758 15 HA GLN 2 HA GLN 2 16.085 71.441 55.945 16 HB2 GLN 2 HB2 GLN 2 14.834 69.086 54.530 17 HB3 GLN 2 HB3 GLN 2 16.057 68.927 55.783 18 HG2 GLN 2 HG2 GLN 2 13.364 70.226 56.127 19 HG3 GLN 2 HG3 GLN 2 13.794 68.597 56.644 20 HE21 GLN 2 HE21 GLN 2 14.499 68.359 58.643 21 HE22 GLN 2 HE22 GLN 2 15.084 69.620 59.670 22 H GLN 3 H GLN 3 16.961 72.674 53.626 23 HA GLN 3 HA GLN 3 18.491 71.037 51.924 24 HB2 GLN 3 HB2 GLN 3 18.336 73.927 52.539 25 HB3 GLN 3 HB3 GLN 3 19.848 73.371 51.835 26 HG2 GLN 3 HG2 GLN 3 18.093 72.171 50.188 27 HG3 GLN 3 HG3 GLN 3 17.173 73.605 50.638 28 HE21 GLN 3 HE21 GLN 3 17.290 74.620 48.687 29 HE22 GLN 3 HE22 GLN 3 18.760 75.226 48.012 30 H LEU 4 H LEU 4 19.484 72.978 54.743 31 HA LEU 4 HA LEU 4 22.147 71.946 54.733 32 HG LEU 4 HG LEU 4 19.906 72.569 57.496 33 HB2 LEU 4 HB2 LEU 4 22.505 73.239 56.665 34 HB3 LEU 4 HB3 LEU 4 21.410 74.174 55.647 35 HD11 LEU 4 HD11 LEU 4 22.147 74.210 58.628 36 HD12 LEU 4 HD12 LEU 4 21.664 72.564 59.037 37 HD13 LEU 4 HD13 LEU 4 20.655 73.926 59.525 38 HD21 LEU 4 HD21 LEU 4 18.905 74.449 56.499 39 HD22 LEU 4 HD22 LEU 4 20.251 75.502 56.938 40 HD23 LEU 4 HD23 LEU 4 19.159 74.900 58.186 41 H GLN 5 H GLN 5 23.110 70.529 56.224 42 HA GLN 5 HA GLN 5 21.276 68.508 57.256 43 HB2 GLN 5 HB2 GLN 5 23.827 68.428 56.040 44 HB3 GLN 5 HB3 GLN 5 24.037 67.858 57.690 45 HG2 GLN 5 HG2 GLN 5 22.597 66.060 57.385 46 HG3 GLN 5 HG3 GLN 5 21.850 66.778 55.959 47 HE21 GLN 5 HE21 GLN 5 23.922 64.454 56.991 48 HE22 GLN 5 HE22 GLN 5 24.831 64.209 55.544 49 H GLU 6 H GLU 6 21.514 67.638 59.393 50 HA GLU 6 HA GLU 6 23.097 69.049 61.338 51 HB2 GLU 6 HB2 GLU 6 20.222 69.629 60.978 52 HB3 GLU 6 HB3 GLU 6 20.736 69.345 62.635 53 HG2 GLU 6 HG2 GLU 6 22.659 71.051 61.791 54 HG3 GLU 6 HG3 GLU 6 21.275 71.607 60.850 55 H HIS 7 H HIS 7 22.980 68.080 63.466 56 HA HIS 7 HA HIS 7 21.467 65.667 63.849 57 HD1 HIS 7 HD1 HIS 7 21.132 63.521 63.463 58 HD2 HIS 7 HD2 HIS 7 24.330 63.915 60.841 59 HE1 HIS 7 HE1 HIS 7 20.631 61.964 61.554 60 HB2 HIS 7 HB2 HIS 7 24.300 65.569 62.983 61 HB3 HIS 7 HB3 HIS 7 23.860 64.508 64.319 62 H ALA 8 H ALA 8 21.687 64.802 65.990 63 HA ALA 8 HA ALA 8 23.376 66.110 67.912 64 HB1 ALA 8 HB1 ALA 8 20.989 66.599 69.168 65 HB2 ALA 8 HB2 ALA 8 21.986 67.804 68.351 66 HB3 ALA 8 HB3 ALA 8 20.643 67.044 67.497 67 HA PRO 9 HA PRO 9 22.760 62.431 70.221 68 HB2 PRO 9 HB2 PRO 9 22.661 63.299 72.791 69 HB3 PRO 9 HB3 PRO 9 24.148 63.294 71.835 70 HG2 PRO 9 HG2 PRO 9 22.279 65.558 72.417 71 HG3 PRO 9 HG3 PRO 9 24.052 65.541 72.424 72 HD2 PRO 9 HD2 PRO 9 22.612 66.524 70.353 73 HD3 PRO 9 HD3 PRO 9 24.188 65.736 70.131 74 H SER 10 H SER 10 20.919 61.312 70.090 75 HA SER 10 HA SER 10 18.788 61.756 71.928 76 HG SER 10 HG SER 10 17.320 61.691 68.393 77 HB2 SER 10 HB2 SER 10 17.011 62.289 70.380 78 HB3 SER 10 HB3 SER 10 18.287 63.493 70.194 79 H HIS 11 H HIS 11 16.996 60.167 71.594 80 HA HIS 11 HA HIS 11 18.141 57.635 70.715 81 HD1 HIS 11 HD1 HIS 11 18.484 58.996 73.503 82 HD2 HIS 11 HD2 HIS 11 16.919 55.150 73.648 83 HE1 HIS 11 HE1 HIS 11 19.750 57.824 75.332 84 HB2 HIS 11 HB2 HIS 11 15.820 58.409 72.450 85 HB3 HIS 11 HB3 HIS 11 15.902 56.788 71.767 86 H ALA 12 H ALA 12 17.297 56.345 69.126 87 HA ALA 12 HA ALA 12 15.140 57.527 67.499 88 HB1 ALA 12 HB1 ALA 12 17.453 57.543 66.485 89 HB2 ALA 12 HB2 ALA 12 17.344 55.783 66.427 90 HB3 ALA 12 HB3 ALA 12 16.194 56.768 65.522 91 H ASN 13 H ASN 13 14.116 55.805 66.023 92 HA ASN 13 HA ASN 13 12.780 53.938 67.591 93 HB2 ASN 13 HB2 ASN 13 12.307 52.859 65.243 94 HB3 ASN 13 HB3 ASN 13 11.650 54.445 65.635 95 HD21 ASN 13 HD21 ASN 13 12.757 56.312 64.828 96 HD22 ASN 13 HD22 ASN 13 13.677 56.205 63.369 97 H LEU 14 H LEU 14 15.618 53.541 65.523 98 HA LEU 14 HA LEU 14 15.888 50.801 65.526 99 HG LEU 14 HG LEU 14 17.783 53.794 66.436 100 HB2 LEU 14 HB2 LEU 14 18.276 51.158 65.217 101 HB3 LEU 14 HB3 LEU 14 17.325 52.275 64.242 102 HD11 LEU 14 HD11 LEU 14 20.266 53.496 66.862 103 HD12 LEU 14 HD12 LEU 14 20.088 51.889 66.160 104 HD13 LEU 14 HD13 LEU 14 19.186 52.321 67.613 105 HD21 LEU 14 HD21 LEU 14 19.991 54.303 64.863 106 HD22 LEU 14 HD22 LEU 14 18.378 54.986 64.648 107 HD23 LEU 14 HD23 LEU 14 18.854 53.547 63.745 108 H ASP 15 H ASP 15 16.905 53.105 68.012 109 HA ASP 15 HA ASP 15 18.326 51.444 69.692 110 HB2 ASP 15 HB2 ASP 15 17.074 54.012 69.873 111 HB3 ASP 15 HB3 ASP 15 16.729 53.109 71.346 112 H VAL 16 H VAL 16 14.820 52.076 69.781 113 HA VAL 16 HA VAL 16 14.236 50.279 71.861 114 HB VAL 16 HB VAL 16 12.435 51.187 69.611 115 HG11 VAL 16 HG11 VAL 16 10.598 50.447 70.862 116 HG12 VAL 16 HG12 VAL 16 11.764 49.127 70.968 117 HG13 VAL 16 HG13 VAL 16 11.564 50.240 72.322 118 HG21 VAL 16 HG21 VAL 16 13.298 53.084 70.814 119 HG22 VAL 16 HG22 VAL 16 11.619 52.826 71.289 120 HG23 VAL 16 HG23 VAL 16 12.926 52.324 72.361 121 H LYS 17 H LYS 17 13.763 48.144 71.916 122 HA LYS 17 HA LYS 17 14.608 46.519 69.718 123 HB2 LYS 17 HB2 LYS 17 13.210 45.679 72.263 124 HB3 LYS 17 HB3 LYS 17 14.098 44.632 71.166 125 HG2 LYS 17 HG2 LYS 17 16.169 45.608 71.760 126 HG3 LYS 17 HG3 LYS 17 15.375 46.937 72.610 127 HD2 LYS 17 HD2 LYS 17 15.936 45.612 74.389 128 HD3 LYS 17 HD3 LYS 17 14.342 44.952 74.016 129 HE2 LYS 17 HE2 LYS 17 15.318 42.959 73.853 130 HE3 LYS 17 HE3 LYS 17 16.084 43.540 72.375 131 HZ1 LYS 17 HZ1 LYS 17 17.843 42.803 73.673 132 HZ2 LYS 17 HZ2 LYS 17 17.199 43.429 75.107 133 HZ3 LYS 17 HZ3 LYS 17 17.850 44.473 73.946 134 H TRP 18 H TRP 18 13.107 44.508 69.244 135 HA TRP 18 HA TRP 18 10.938 45.459 67.736 136 HD1 TRP 18 HD1 TRP 18 14.102 42.934 68.470 137 HE1 TRP 18 HE1 TRP 18 15.622 42.862 66.394 138 HE3 TRP 18 HE3 TRP 18 10.566 43.659 64.850 139 HZ2 TRP 18 HZ2 TRP 18 15.357 43.085 63.593 140 HZ3 TRP 18 HZ3 TRP 18 11.283 43.717 62.497 141 HH2 TRP 18 HH2 TRP 18 13.629 43.436 61.883 142 HB2 TRP 18 HB2 TRP 18 11.382 42.617 68.668 143 HB3 TRP 18 HB3 TRP 18 10.440 43.139 67.275 144 H LEU 19 H LEU 19 8.696 44.282 67.991 145 HA LEU 19 HA LEU 19 7.409 45.397 70.194 146 HG LEU 19 HG LEU 19 4.334 44.627 68.413 147 HB2 LEU 19 HB2 LEU 19 6.672 44.023 67.873 148 HB3 LEU 19 HB3 LEU 19 5.990 43.092 69.204 149 HD11 LEU 19 HD11 LEU 19 3.977 46.011 70.460 150 HD12 LEU 19 HD12 LEU 19 5.562 45.482 71.025 151 HD13 LEU 19 HD13 LEU 19 4.276 44.302 70.774 152 HD21 LEU 19 HD21 LEU 19 5.924 47.031 69.116 153 HD22 LEU 19 HD22 LEU 19 4.658 46.821 67.906 154 HD23 LEU 19 HD23 LEU 19 6.287 46.223 67.590 155 H ASP 20 H ASP 20 9.050 42.375 69.848 156 HA ASP 20 HA ASP 20 7.964 40.679 71.647 157 HB2 ASP 20 HB2 ASP 20 9.995 40.109 70.468 158 HB3 ASP 20 HB3 ASP 20 10.895 41.352 71.335 159 H GLY 21 H GLY 21 9.762 43.612 72.401 160 HA2 GLY 21 HA2 GLY 21 8.883 44.729 74.473 161 HA3 GLY 21 HA3 GLY 21 9.132 43.176 75.256 162 H LEU 22 H LEU 22 10.272 45.469 76.268 163 HA LEU 22 HA LEU 22 13.126 45.037 75.673 164 HG LEU 22 HG LEU 22 13.470 46.753 74.031 165 HB2 LEU 22 HB2 LEU 22 11.644 47.579 76.265 166 HB3 LEU 22 HB3 LEU 22 13.386 47.445 76.502 167 HD11 LEU 22 HD11 LEU 22 10.762 46.743 74.232 168 HD12 LEU 22 HD12 LEU 22 11.658 46.905 72.721 169 HD13 LEU 22 HD13 LEU 22 11.055 48.342 73.547 170 HD21 LEU 22 HD21 LEU 22 13.503 49.257 75.341 171 HD22 LEU 22 HD22 LEU 22 12.680 49.478 73.797 172 HD23 LEU 22 HD23 LEU 22 14.306 48.797 73.839 173 H ARG 23 H ARG 23 14.329 44.398 77.339 174 HA ARG 23 HA ARG 23 13.133 44.062 79.929 175 HE ARG 23 HE ARG 23 19.227 42.370 78.374 176 HB2 ARG 23 HB2 ARG 23 15.264 43.011 80.539 177 HB3 ARG 23 HB3 ARG 23 14.636 42.361 79.030 178 HG2 ARG 23 HG2 ARG 23 16.178 44.129 77.922 179 HG3 ARG 23 HG3 ARG 23 16.992 44.135 79.490 180 HD2 ARG 23 HD2 ARG 23 16.576 41.436 78.793 181 HD3 ARG 23 HD3 ARG 23 17.195 42.243 77.353 182 HH11 ARG 23 HH11 ARG 23 16.785 41.942 80.818 183 HH12 ARG 23 HH12 ARG 23 17.923 41.801 82.116 184 HH21 ARG 23 HH21 ARG 23 20.736 42.185 80.075 185 HH22 ARG 23 HH22 ARG 23 20.171 41.939 81.693 186 H ALA 24 H ALA 24 16.000 45.826 78.748 187 HA ALA 24 HA ALA 24 15.810 47.549 81.130 188 HB1 ALA 24 HB1 ALA 24 17.916 46.143 80.700 189 HB2 ALA 24 HB2 ALA 24 18.262 47.308 79.421 190 HB3 ALA 24 HB3 ALA 24 18.122 47.850 81.094 191 H GLY 25 H GLY 25 16.162 47.497 77.627 192 HA2 GLY 25 HA2 GLY 25 16.732 50.022 76.901 193 HA3 GLY 25 HA3 GLY 25 15.464 49.103 76.105 194 H SER 26 H SER 26 13.342 49.083 77.494 195 HA SER 26 HA SER 26 12.878 51.673 78.763 196 HG SER 26 HG SER 26 10.441 50.560 75.785 197 HB2 SER 26 HB2 SER 26 10.763 51.916 77.355 198 HB3 SER 26 HB3 SER 26 12.290 52.226 76.527 199 H MET 27 H MET 27 12.293 50.903 80.713 200 HA MET 27 HA MET 27 10.360 48.711 80.861 201 HB2 MET 27 HB2 MET 27 12.082 50.023 82.966 202 HB3 MET 27 HB3 MET 27 10.898 48.772 83.315 203 HG2 MET 27 HG2 MET 27 12.130 47.125 82.288 204 HG3 MET 27 HG3 MET 27 13.005 48.267 81.271 205 HE1 MET 27 HE1 MET 27 14.095 50.468 83.338 206 HE2 MET 27 HE2 MET 27 15.682 49.743 83.595 207 HE3 MET 27 HE3 MET 27 14.949 49.713 81.992 208 H ALA 28 H ALA 28 10.872 51.890 82.401 209 HA ALA 28 HA ALA 28 8.384 52.147 83.595 210 HB1 ALA 28 HB1 ALA 28 10.601 53.685 83.493 211 HB2 ALA 28 HB2 ALA 28 9.502 54.633 82.490 212 HB3 ALA 28 HB3 ALA 28 9.054 54.223 84.146 213 H LEU 29 H LEU 29 9.349 53.749 80.553 214 HA LEU 29 HA LEU 29 6.534 53.976 79.818 215 HG LEU 29 HG LEU 29 8.616 56.103 80.691 216 HB2 LEU 29 HB2 LEU 29 8.977 55.065 78.428 217 HB3 LEU 29 HB3 LEU 29 7.299 55.459 78.059 218 HD11 LEU 29 HD11 LEU 29 9.709 57.746 79.684 219 HD12 LEU 29 HD12 LEU 29 8.158 58.445 79.220 220 HD13 LEU 29 HD13 LEU 29 8.986 57.334 78.129 221 HD21 LEU 29 HD21 LEU 29 6.003 55.947 80.201 222 HD22 LEU 29 HD22 LEU 29 6.292 57.579 79.599 223 HD23 LEU 29 HD23 LEU 29 6.697 57.170 81.266 224 H GLN 30 H GLN 30 5.896 53.490 77.569 225 HA GLN 30 HA GLN 30 7.001 50.915 76.770 226 HB2 GLN 30 HB2 GLN 30 4.471 51.543 77.045 227 HB3 GLN 30 HB3 GLN 30 4.658 52.207 75.426 228 HG2 GLN 30 HG2 GLN 30 4.538 50.198 74.505 229 HG3 GLN 30 HG3 GLN 30 5.776 49.559 75.584 230 HE21 GLN 30 HE21 GLN 30 2.987 48.714 74.543 231 HE22 GLN 30 HE22 GLN 30 2.211 48.116 75.966 232 H GLY 31 H GLY 31 8.622 50.922 75.359 233 HA2 GLY 31 HA2 GLY 31 9.037 53.147 73.560 234 HA3 GLY 31 HA3 GLY 31 10.063 51.729 73.725 235 H ASP 32 H ASP 32 7.464 50.104 73.403 236 HA ASP 32 HA ASP 32 7.793 49.516 70.668 237 HB2 ASP 32 HB2 ASP 32 5.285 48.842 72.179 238 HB3 ASP 32 HB3 ASP 32 6.125 47.898 70.951 239 H VAL 33 H VAL 33 5.024 51.031 72.335 240 HA VAL 33 HA VAL 33 3.869 51.880 69.834 241 HB VAL 33 HB VAL 33 2.151 52.965 71.234 242 HG11 VAL 33 HG11 VAL 33 1.210 50.958 71.073 243 HG12 VAL 33 HG12 VAL 33 2.783 50.161 71.145 244 HG13 VAL 33 HG13 VAL 33 1.924 50.552 72.635 245 HG21 VAL 33 HG21 VAL 33 3.497 53.661 73.110 246 HG22 VAL 33 HG22 VAL 33 2.211 52.599 73.684 247 HG23 VAL 33 HG23 VAL 33 3.855 51.984 73.522 248 H LYS 34 H LYS 34 5.533 53.407 72.555 249 HA LYS 34 HA LYS 34 5.222 56.060 72.070 250 HB2 LYS 34 HB2 LYS 34 6.545 55.486 73.922 251 HB3 LYS 34 HB3 LYS 34 7.633 54.500 72.954 252 HG2 LYS 34 HG2 LYS 34 8.961 56.227 72.493 253 HG3 LYS 34 HG3 LYS 34 7.601 57.292 72.133 254 HD2 LYS 34 HD2 LYS 34 7.362 57.938 74.361 255 HD3 LYS 34 HD3 LYS 34 8.267 56.546 74.960 256 HE2 LYS 34 HE2 LYS 34 10.327 57.458 74.153 257 HE3 LYS 34 HE3 LYS 34 9.483 58.753 73.308 258 HZ1 LYS 34 HZ1 LYS 34 8.675 58.959 75.921 259 HZ2 LYS 34 HZ2 LYS 34 9.786 59.959 75.128 260 HZ3 LYS 34 HZ3 LYS 34 10.331 58.630 76.021 261 H VAL 35 H VAL 35 7.375 53.857 70.334 262 HA VAL 35 HA VAL 35 8.261 55.996 68.568 263 HB VAL 35 HB VAL 35 9.802 54.437 67.633 264 HG11 VAL 35 HG11 VAL 35 11.073 53.756 69.566 265 HG12 VAL 35 HG12 VAL 35 10.327 55.322 69.885 266 HG13 VAL 35 HG13 VAL 35 9.640 53.857 70.588 267 HG21 VAL 35 HG21 VAL 35 8.827 52.424 67.237 268 HG22 VAL 35 HG22 VAL 35 9.651 52.012 68.740 269 HG23 VAL 35 HG23 VAL 35 7.938 52.430 68.760 270 H TRP 36 H TRP 36 5.946 53.445 68.648 271 HA TRP 36 HA TRP 36 5.550 52.694 66.069 272 HD1 TRP 36 HD1 TRP 36 2.180 54.330 65.606 273 HE1 TRP 36 HE1 TRP 36 0.537 52.945 64.189 274 HE3 TRP 36 HE3 TRP 36 3.404 49.657 67.279 275 HZ2 TRP 36 HZ2 TRP 36 -0.150 50.231 63.828 276 HZ3 TRP 36 HZ3 TRP 36 2.206 47.719 66.347 277 HH2 TRP 36 HH2 TRP 36 0.467 48.003 64.657 278 HB2 TRP 36 HB2 TRP 36 4.156 51.859 67.875 279 HB3 TRP 36 HB3 TRP 36 3.425 53.449 68.087 280 H MET 37 H MET 37 4.390 55.710 67.545 281 HA MET 37 HA MET 37 3.219 56.659 65.105 282 HB2 MET 37 HB2 MET 37 3.934 58.423 67.426 283 HB3 MET 37 HB3 MET 37 2.580 58.561 66.310 284 HG2 MET 37 HG2 MET 37 1.274 57.240 67.545 285 HG3 MET 37 HG3 MET 37 2.572 56.093 67.866 286 HE1 MET 37 HE1 MET 37 3.613 56.101 70.760 287 HE2 MET 37 HE2 MET 37 4.442 56.504 69.257 288 HE3 MET 37 HE3 MET 37 4.554 57.589 70.643 289 H GLN 38 H GLN 38 6.022 57.733 67.037 290 HA GLN 38 HA GLN 38 7.028 59.690 65.437 291 HB2 GLN 38 HB2 GLN 38 8.881 59.562 66.721 292 HB3 GLN 38 HB3 GLN 38 7.938 58.393 67.636 293 HG2 GLN 38 HG2 GLN 38 8.979 56.565 66.479 294 HG3 GLN 38 HG3 GLN 38 9.826 57.678 65.406 295 HE21 GLN 38 HE21 GLN 38 11.563 58.873 66.201 296 HE22 GLN 38 HE22 GLN 38 12.377 58.442 67.663 297 H ASN 39 H ASN 39 7.259 56.220 64.931 298 HA ASN 39 HA ASN 39 9.136 56.277 62.825 299 HB2 ASN 39 HB2 ASN 39 7.599 54.314 64.194 300 HB3 ASN 39 HB3 ASN 39 7.322 54.097 62.468 301 HD21 ASN 39 HD21 ASN 39 8.561 52.140 63.836 302 HD22 ASN 39 HD22 ASN 39 10.235 52.070 63.415 303 H LEU 40 H LEU 40 5.627 56.547 62.905 304 HA LEU 40 HA LEU 40 5.390 56.543 60.028 305 HG LEU 40 HG LEU 40 3.817 56.081 63.312 306 HB2 LEU 40 HB2 LEU 40 3.129 57.583 61.558 307 HB3 LEU 40 HB3 LEU 40 3.193 56.284 60.368 308 HD11 LEU 40 HD11 LEU 40 1.406 55.906 61.888 309 HD12 LEU 40 HD12 LEU 40 1.704 55.466 63.569 310 HD13 LEU 40 HD13 LEU 40 1.859 54.252 62.300 311 HD21 LEU 40 HD21 LEU 40 3.786 53.541 62.477 312 HD22 LEU 40 HD22 LEU 40 5.261 54.501 62.578 313 HD23 LEU 40 HD23 LEU 40 4.441 54.309 61.029 314 H GLU 41 H GLU 41 5.713 58.882 62.576 315 HA GLU 41 HA GLU 41 4.702 61.161 61.324 316 HB2 GLU 41 HB2 GLU 41 5.869 60.646 63.731 317 HB3 GLU 41 HB3 GLU 41 7.138 61.564 62.932 318 HG2 GLU 41 HG2 GLU 41 5.748 63.446 62.664 319 HG3 GLU 41 HG3 GLU 41 4.302 62.530 63.083 320 H ASP 42 H ASP 42 7.897 59.668 61.131 321 HA ASP 42 HA ASP 42 8.910 61.727 59.374 322 HB2 ASP 42 HB2 ASP 42 10.291 60.407 61.071 323 HB3 ASP 42 HB3 ASP 42 10.201 59.060 59.939 324 H LEU 43 H LEU 43 7.982 58.312 59.094 325 HA LEU 43 HA LEU 43 8.556 58.082 56.333 326 HG LEU 43 HG LEU 43 7.476 54.557 56.556 327 HB2 LEU 43 HB2 LEU 43 8.046 56.296 58.216 328 HB3 LEU 43 HB3 LEU 43 6.409 56.445 57.580 329 HD11 LEU 43 HD11 LEU 43 6.024 55.603 55.050 330 HD12 LEU 43 HD12 LEU 43 7.511 55.360 54.133 331 HD13 LEU 43 HD13 LEU 43 7.127 56.953 54.784 332 HD21 LEU 43 HD21 LEU 43 9.777 56.283 56.569 333 HD22 LEU 43 HD22 LEU 43 9.499 55.631 54.954 334 HD23 LEU 43 HD23 LEU 43 9.685 54.538 56.326 335 H HIS 44 H HIS 44 5.399 58.305 57.987 336 HA HIS 44 HA HIS 44 3.715 58.502 55.869 337 HD1 HIS 44 HD1 HIS 44 1.878 61.603 56.378 338 HD2 HIS 44 HD2 HIS 44 0.623 57.886 57.747 339 HE1 HIS 44 HE1 HIS 44 -0.565 61.461 55.797 340 HB2 HIS 44 HB2 HIS 44 3.160 58.627 58.359 341 HB3 HIS 44 HB3 HIS 44 3.454 60.358 58.231 342 H THR 45 H THR 45 5.893 60.981 57.046 343 HA THR 45 HA THR 45 4.954 63.251 55.832 344 HB THR 45 HB THR 45 7.847 62.392 56.028 345 HG1 THR 45 HG1 THR 45 6.621 62.525 58.031 346 HG21 THR 45 HG21 THR 45 6.550 65.026 55.397 347 HG22 THR 45 HG22 THR 45 7.847 64.200 54.535 348 HG23 THR 45 HG23 THR 45 8.162 64.940 56.105 349 H ARG 46 H ARG 46 7.001 60.743 54.366 350 HA ARG 46 HA ARG 46 6.884 62.032 51.777 351 HE ARG 46 HE ARG 46 11.600 62.089 51.161 352 HB2 ARG 46 HB2 ARG 46 8.739 60.429 52.958 353 HB3 ARG 46 HB3 ARG 46 7.896 59.269 51.940 354 HG2 ARG 46 HG2 ARG 46 9.736 60.099 50.699 355 HG3 ARG 46 HG3 ARG 46 8.277 60.814 50.011 356 HD2 ARG 46 HD2 ARG 46 9.596 62.674 50.148 357 HD3 ARG 46 HD3 ARG 46 8.825 62.735 51.732 358 HH11 ARG 46 HH11 ARG 46 9.017 62.217 53.492 359 HH12 ARG 46 HH12 ARG 46 10.077 62.183 54.862 360 HH21 ARG 46 HH21 ARG 46 13.006 62.045 52.957 361 HH22 ARG 46 HH22 ARG 46 12.345 62.086 54.557 362 H ARG 47 H ARG 47 6.102 58.718 52.849 363 HA ARG 47 HA ARG 47 3.730 58.806 51.113 364 HE ARG 47 HE ARG 47 2.165 55.179 48.627 365 HB2 ARG 47 HB2 ARG 47 5.484 57.553 49.954 366 HB3 ARG 47 HB3 ARG 47 5.683 56.510 51.355 367 HG2 ARG 47 HG2 ARG 47 3.933 55.235 50.804 368 HG3 ARG 47 HG3 ARG 47 2.945 56.623 50.341 369 HD2 ARG 47 HD2 ARG 47 4.581 56.706 48.293 370 HD3 ARG 47 HD3 ARG 47 4.852 55.014 48.707 371 HH11 ARG 47 HH11 ARG 47 4.660 56.167 46.410 372 HH12 ARG 47 HH12 ARG 47 3.680 55.936 45.000 373 HH21 ARG 47 HH21 ARG 47 0.865 54.870 46.778 374 HH22 ARG 47 HH22 ARG 47 1.521 55.199 45.210 375 HA PRO 48 HA PRO 48 1.798 57.527 54.903 376 HB2 PRO 48 HB2 PRO 48 -0.693 57.200 53.874 377 HB3 PRO 48 HB3 PRO 48 0.002 58.787 54.224 378 HG2 PRO 48 HG2 PRO 48 -0.195 57.339 51.611 379 HG3 PRO 48 HG3 PRO 48 -0.495 59.050 51.968 380 HD2 PRO 48 HD2 PRO 48 1.815 58.178 50.857 381 HD3 PRO 48 HD3 PRO 48 1.748 59.579 51.944 382 H ASP 49 H ASP 49 0.856 55.802 51.920 383 HA ASP 49 HA ASP 49 -0.024 53.444 53.021 384 HB2 ASP 49 HB2 ASP 49 0.010 54.160 50.561 385 HB3 ASP 49 HB3 ASP 49 1.644 53.503 50.512 386 H GLU 50 H GLU 50 3.215 54.632 52.812 387 HA GLU 50 HA GLU 50 4.383 52.038 53.430 388 HB2 GLU 50 HB2 GLU 50 5.435 53.745 51.854 389 HB3 GLU 50 HB3 GLU 50 5.825 54.681 53.291 390 HG2 GLU 50 HG2 GLU 50 7.761 53.468 52.803 391 HG3 GLU 50 HG3 GLU 50 7.006 52.607 54.144 392 H PHE 51 H PHE 51 3.311 54.881 55.037 393 HA PHE 51 HA PHE 51 4.859 55.072 57.280 394 HD1 PHE 51 HD1 PHE 51 2.696 54.394 59.781 395 HD2 PHE 51 HD2 PHE 51 0.255 55.615 56.515 396 HE1 PHE 51 HE1 PHE 51 0.729 53.409 60.886 397 HE2 PHE 51 HE2 PHE 51 -1.715 54.633 57.615 398 HZ PHE 51 HZ PHE 51 -1.479 53.528 59.803 399 HB2 PHE 51 HB2 PHE 51 3.222 56.416 58.065 400 HB3 PHE 51 HB3 PHE 51 2.477 56.151 56.493 401 H THR 52 H THR 52 2.270 52.746 56.665 402 HA THR 52 HA THR 52 2.410 51.529 59.243 403 HB THR 52 HB THR 52 0.867 49.922 58.448 404 HG1 THR 52 HG1 THR 52 1.818 50.636 55.865 405 HG21 THR 52 HG21 THR 52 0.522 52.695 57.496 406 HG22 THR 52 HG22 THR 52 -0.506 51.720 58.545 407 HG23 THR 52 HG23 THR 52 -0.570 51.500 56.796 408 H ALA 53 H ALA 53 4.211 51.213 56.331 409 HA ALA 53 HA ALA 53 5.143 48.548 56.730 410 HB1 ALA 53 HB1 ALA 53 5.305 50.442 54.695 411 HB2 ALA 53 HB2 ALA 53 6.972 50.184 55.213 412 HB3 ALA 53 HB3 ALA 53 5.989 48.816 54.692 413 H ARG 54 H ARG 54 5.964 51.592 58.080 414 HA ARG 54 HA ARG 54 8.673 51.112 58.728 415 HE ARG 54 HE ARG 54 10.086 55.457 60.219 416 HB2 ARG 54 HB2 ARG 54 7.446 53.336 58.773 417 HB3 ARG 54 HB3 ARG 54 6.763 52.827 60.311 418 HG2 ARG 54 HG2 ARG 54 8.591 54.157 60.885 419 HG3 ARG 54 HG3 ARG 54 9.170 52.502 61.082 420 HD2 ARG 54 HD2 ARG 54 10.768 52.812 59.566 421 HD3 ARG 54 HD3 ARG 54 9.605 53.417 58.388 422 HH11 ARG 54 HH11 ARG 54 11.820 53.647 57.804 423 HH12 ARG 54 HH12 ARG 54 12.918 54.937 57.438 424 HH21 ARG 54 HH21 ARG 54 11.524 57.163 59.746 425 HH22 ARG 54 HH22 ARG 54 12.749 56.937 58.544 426 H LEU 55 H LEU 55 5.887 51.151 60.958 427 HA LEU 55 HA LEU 55 7.296 49.683 62.957 428 HG LEU 55 HG LEU 55 3.154 50.635 63.400 429 HB2 LEU 55 HB2 LEU 55 5.302 49.794 64.233 430 HB3 LEU 55 HB3 LEU 55 5.466 51.329 63.385 431 HD11 LEU 55 HD11 LEU 55 2.682 50.761 61.046 432 HD12 LEU 55 HD12 LEU 55 4.316 50.229 60.649 433 HD13 LEU 55 HD13 LEU 55 4.061 51.797 61.411 434 HD21 LEU 55 HD21 LEU 55 3.529 48.308 61.653 435 HD22 LEU 55 HD22 LEU 55 2.416 48.553 62.997 436 HD23 LEU 55 HD23 LEU 55 4.088 48.085 63.311 437 H GLN 56 H GLN 56 5.485 48.806 60.192 438 HA GLN 56 HA GLN 56 4.298 46.420 60.818 439 HB2 GLN 56 HB2 GLN 56 4.033 47.233 58.617 440 HB3 GLN 56 HB3 GLN 56 5.769 47.288 58.340 441 HG2 GLN 56 HG2 GLN 56 5.206 45.430 57.145 442 HG3 GLN 56 HG3 GLN 56 5.609 44.706 58.701 443 HE21 GLN 56 HE21 GLN 56 4.319 42.965 58.709 444 HE22 GLN 56 HE22 GLN 56 2.595 43.016 58.604 445 H GLN 57 H GLN 57 7.709 47.102 60.485 446 HA GLN 57 HA GLN 57 8.537 44.361 60.453 447 HB2 GLN 57 HB2 GLN 57 10.000 46.962 60.869 448 HB3 GLN 57 HB3 GLN 57 10.811 45.405 60.981 449 HG2 GLN 57 HG2 GLN 57 9.203 45.931 58.552 450 HG3 GLN 57 HG3 GLN 57 10.718 46.813 58.737 451 HE21 GLN 57 HE21 GLN 57 11.600 45.720 56.963 452 HE22 GLN 57 HE22 GLN 57 12.130 44.081 57.079 453 H SER 58 H SER 58 8.157 46.848 62.915 454 HA SER 58 HA SER 58 9.327 45.268 65.006 455 HG SER 58 HG SER 58 7.616 48.809 64.754 456 HB2 SER 58 HB2 SER 58 8.541 47.057 66.499 457 HB3 SER 58 HB3 SER 58 9.371 47.725 65.095 458 H THR 59 H THR 59 6.004 46.489 64.549 459 HA THR 59 HA THR 59 4.681 45.125 66.481 460 HB THR 59 HB THR 59 3.624 46.700 64.859 461 HG1 THR 59 HG1 THR 59 1.613 45.436 64.773 462 HG21 THR 59 HG21 THR 59 2.767 45.848 62.750 463 HG22 THR 59 HG22 THR 59 3.488 44.272 63.068 464 HG23 THR 59 HG23 THR 59 4.521 45.675 62.800 465 H ASP 60 H ASP 60 6.202 43.765 63.705 466 HA ASP 60 HA ASP 60 4.830 41.408 63.299 467 HB2 ASP 60 HB2 ASP 60 7.320 42.477 62.531 468 HB3 ASP 60 HB3 ASP 60 7.664 40.893 63.222 469 H ALA 61 H ALA 61 7.362 42.078 65.691 470 HA ALA 61 HA ALA 61 7.746 39.599 66.785 471 HB1 ALA 61 HB1 ALA 61 7.737 42.330 68.013 472 HB2 ALA 61 HB2 ALA 61 8.044 40.898 68.995 473 HB3 ALA 61 HB3 ALA 61 9.103 41.280 67.637 474 H LEU 62 H LEU 62 5.292 41.959 67.855 475 HA LEU 62 HA LEU 62 4.041 40.151 69.654 476 HG LEU 62 HG LEU 62 1.431 41.305 70.230 477 HB2 LEU 62 HB2 LEU 62 3.985 42.753 69.538 478 HB3 LEU 62 HB3 LEU 62 2.623 42.490 68.451 479 HD11 LEU 62 HD11 LEU 62 2.744 41.956 72.557 480 HD12 LEU 62 HD12 LEU 62 4.046 41.417 71.498 481 HD13 LEU 62 HD13 LEU 62 2.674 40.357 71.817 482 HD21 LEU 62 HD21 LEU 62 1.548 43.910 69.919 483 HD22 LEU 62 HD22 LEU 62 2.327 43.845 71.500 484 HD23 LEU 62 HD23 LEU 62 0.699 43.199 71.292 485 H TYR 63 H TYR 63 3.213 41.293 66.395 486 HA TYR 63 HA TYR 63 0.790 40.108 65.992 487 HD1 TYR 63 HD1 TYR 63 0.924 42.889 64.635 488 HD2 TYR 63 HD2 TYR 63 0.409 39.246 62.497 489 HE1 TYR 63 HE1 TYR 63 -1.096 43.806 63.571 490 HE2 TYR 63 HE2 TYR 63 -1.610 40.153 61.426 491 HH TYR 63 HH TYR 63 -2.595 42.335 60.901 492 HB2 TYR 63 HB2 TYR 63 2.780 41.237 64.360 493 HB3 TYR 63 HB3 TYR 63 2.436 39.657 63.663 494 H SER 64 H SER 64 3.963 38.570 65.511 495 HA SER 64 HA SER 64 2.744 35.995 65.015 496 HG SER 64 HG SER 64 4.097 34.755 63.817 497 HB2 SER 64 HB2 SER 64 5.312 37.200 64.573 498 HB3 SER 64 HB3 SER 64 5.526 35.697 65.471 499 H HIS 65 H HIS 65 4.714 37.484 67.563 500 HA HIS 65 HA HIS 65 5.111 35.371 69.253 501 HD1 HIS 65 HD1 HIS 65 5.926 35.168 71.617 502 HD2 HIS 65 HD2 HIS 65 4.067 38.772 72.520 503 HE1 HIS 65 HE1 HIS 65 5.648 35.174 74.116 504 HB2 HIS 65 HB2 HIS 65 6.062 37.497 69.794 505 HB3 HIS 65 HB3 HIS 65 4.474 38.250 69.906 506 H LEU 66 H LEU 66 2.163 37.250 68.822 507 HA LEU 66 HA LEU 66 0.754 36.034 70.985 508 HG LEU 66 HG LEU 66 -1.711 36.430 70.896 509 HB2 LEU 66 HB2 LEU 66 0.296 38.274 69.808 510 HB3 LEU 66 HB3 LEU 66 -0.539 37.306 68.596 511 HD11 LEU 66 HD11 LEU 66 -2.049 39.214 71.497 512 HD12 LEU 66 HD12 LEU 66 -0.352 38.759 71.650 513 HD13 LEU 66 HD13 LEU 66 -1.585 37.887 72.561 514 HD21 LEU 66 HD21 LEU 66 -2.370 38.222 68.689 515 HD22 LEU 66 HD22 LEU 66 -3.331 38.507 70.140 516 HD23 LEU 66 HD23 LEU 66 -3.304 36.906 69.401 517 H GLU 67 H GLU 67 0.311 35.754 67.453 518 HA GLU 67 HA GLU 67 -1.479 33.643 67.466 519 HB2 GLU 67 HB2 GLU 67 -0.629 35.084 65.500 520 HB3 GLU 67 HB3 GLU 67 0.659 33.896 65.366 521 HG2 GLU 67 HG2 GLU 67 -2.055 32.784 65.497 522 HG3 GLU 67 HG3 GLU 67 -1.701 33.749 64.067 523 H ALA 68 H ALA 68 1.991 33.621 67.865 524 HA ALA 68 HA ALA 68 2.183 30.741 67.636 525 HB1 ALA 68 HB1 ALA 68 4.302 31.202 67.173 526 HB2 ALA 68 HB2 ALA 68 3.992 32.912 67.475 527 HB3 ALA 68 HB3 ALA 68 4.528 31.865 68.791 528 H GLN 69 H GLN 69 2.974 33.071 70.226 529 HA GLN 69 HA GLN 69 3.205 31.154 72.260 530 HB2 GLN 69 HB2 GLN 69 3.968 33.606 72.250 531 HB3 GLN 69 HB3 GLN 69 2.320 33.992 72.732 532 HG2 GLN 69 HG2 GLN 69 3.870 33.859 74.632 533 HG3 GLN 69 HG3 GLN 69 2.551 32.694 74.742 534 HE21 GLN 69 HE21 GLN 69 5.900 33.149 74.740 535 HE22 GLN 69 HE22 GLN 69 6.373 31.488 74.746 536 H TRP 70 H TRP 70 0.511 33.403 71.619 537 HA TRP 70 HA TRP 70 -1.257 32.453 73.521 538 HD1 TRP 70 HD1 TRP 70 -4.505 32.126 71.543 539 HE1 TRP 70 HE1 TRP 70 -6.414 32.994 73.035 540 HE3 TRP 70 HE3 TRP 70 -2.020 35.907 73.923 541 HZ2 TRP 70 HZ2 TRP 70 -6.814 35.015 74.964 542 HZ3 TRP 70 HZ3 TRP 70 -3.239 37.261 75.577 543 HH2 TRP 70 HH2 TRP 70 -5.586 36.822 76.085 544 HB2 TRP 70 HB2 TRP 70 -1.481 34.486 71.967 545 HB3 TRP 70 HB3 TRP 70 -2.163 33.360 70.795 546 H ALA 71 H ALA 71 -0.414 31.111 70.414 547 HA ALA 71 HA ALA 71 -2.481 29.452 69.795 548 HB1 ALA 71 HB1 ALA 71 0.046 29.722 68.885 549 HB2 ALA 71 HB2 ALA 71 0.149 28.138 69.656 550 HB3 ALA 71 HB3 ALA 71 -1.047 28.428 68.391 551 H LYS 72 H LYS 72 -0.175 29.071 72.407 552 HA LYS 72 HA LYS 72 -0.711 26.400 73.080 553 HB2 LYS 72 HB2 LYS 72 0.190 28.727 74.781 554 HB3 LYS 72 HB3 LYS 72 0.119 27.069 75.363 555 HG2 LYS 72 HG2 LYS 72 1.689 27.785 72.916 556 HG3 LYS 72 HG3 LYS 72 2.365 27.980 74.534 557 HD2 LYS 72 HD2 LYS 72 3.066 25.854 74.100 558 HD3 LYS 72 HD3 LYS 72 1.483 25.491 74.793 559 HE2 LYS 72 HE2 LYS 72 0.906 24.468 72.910 560 HE3 LYS 72 HE3 LYS 72 1.109 25.982 72.032 561 HZ1 LYS 72 HZ1 LYS 72 2.775 23.656 72.051 562 HZ2 LYS 72 HZ2 LYS 72 3.652 25.067 72.368 563 HZ3 LYS 72 HZ3 LYS 72 2.733 24.942 70.953 564 H GLN 73 H GLN 73 -2.269 29.413 74.070 565 HA GLN 73 HA GLN 73 -3.928 28.464 76.073 566 HB2 GLN 73 HB2 GLN 73 -4.134 30.705 74.107 567 HB3 GLN 73 HB3 GLN 73 -5.531 30.318 75.103 568 HG2 GLN 73 HG2 GLN 73 -2.851 30.739 76.353 569 HG3 GLN 73 HG3 GLN 73 -3.860 32.112 75.902 570 HE21 GLN 73 HE21 GLN 73 -3.379 29.521 78.104 571 HE22 GLN 73 HE22 GLN 73 -4.674 29.903 79.180 572 H HIS 74 H HIS 74 -4.851 28.917 72.655 573 HA HIS 74 HA HIS 74 -6.691 26.638 72.952 574 HD1 HIS 74 HD1 HIS 74 -7.161 29.215 74.668 575 HD2 HIS 74 HD2 HIS 74 -10.482 27.993 72.492 576 HE1 HIS 74 HE1 HIS 74 -9.099 29.355 76.265 577 HB2 HIS 74 HB2 HIS 74 -7.197 29.337 71.732 578 HB3 HIS 74 HB3 HIS 74 -8.114 27.928 71.208 579 H GLY 75 H GLY 75 -5.081 28.726 70.549 580 HA2 GLY 75 HA2 GLY 75 -3.705 28.021 68.793 581 HA3 GLY 75 HA3 GLY 75 -4.168 26.359 69.128 582 H THR 76 H THR 76 -7.064 27.376 69.128 583 HA THR 76 HA THR 76 -7.480 26.912 66.294 584 HB THR 76 HB THR 76 -9.384 25.956 66.940 585 HG1 THR 76 HG1 THR 76 -10.919 27.303 68.247 586 HG21 THR 76 HG21 THR 76 -8.975 26.855 69.777 587 HG22 THR 76 HG22 THR 76 -7.942 25.629 69.043 588 HG23 THR 76 HG23 THR 76 -9.678 25.350 69.184 589 HA PRO 77 HA PRO 77 -9.653 31.210 66.827 590 HB2 PRO 77 HB2 PRO 77 -9.083 32.591 69.094 591 HB3 PRO 77 HB3 PRO 77 -10.441 31.467 68.970 592 HG2 PRO 77 HG2 PRO 77 -7.728 31.037 70.160 593 HG3 PRO 77 HG3 PRO 77 -9.313 30.543 70.782 594 HD2 PRO 77 HD2 PRO 77 -7.654 28.830 69.499 595 HD3 PRO 77 HD3 PRO 77 -9.421 28.701 69.400 596 HA PRO 78 HA PRO 78 -5.250 33.240 67.476 597 HB2 PRO 78 HB2 PRO 78 -3.230 31.425 67.508 598 HB3 PRO 78 HB3 PRO 78 -4.025 32.004 68.977 599 HG2 PRO 78 HG2 PRO 78 -4.474 29.465 67.455 600 HG3 PRO 78 HG3 PRO 78 -4.364 29.716 69.208 601 HD2 PRO 78 HD2 PRO 78 -6.731 29.444 67.920 602 HD3 PRO 78 HD3 PRO 78 -6.541 30.458 69.364 603 H THR 79 H THR 79 -5.296 34.014 65.434 604 HA THR 79 HA THR 79 -3.745 32.718 63.418 605 HB THR 79 HB THR 79 -6.695 33.020 62.827 606 HG1 THR 79 HG1 THR 79 -6.638 30.703 62.782 607 HG21 THR 79 HG21 THR 79 -5.331 33.371 60.864 608 HG22 THR 79 HG22 THR 79 -6.097 31.787 60.756 609 HG23 THR 79 HG23 THR 79 -4.398 31.915 61.209 610 H ALA 80 H ALA 80 -3.364 34.059 61.582 611 HA ALA 80 HA ALA 80 -2.901 36.682 61.986 612 HB1 ALA 80 HB1 ALA 80 -3.668 35.292 59.433 613 HB2 ALA 80 HB2 ALA 80 -3.154 36.979 59.480 614 HB3 ALA 80 HB3 ALA 80 -2.055 35.707 60.016 615 H SER 81 H SER 81 -5.995 35.244 61.334 616 HA SER 81 HA SER 81 -7.345 37.654 60.620 617 HG SER 81 HG SER 81 -9.552 37.261 60.166 618 HB2 SER 81 HB2 SER 81 -8.138 35.345 60.034 619 HB3 SER 81 HB3 SER 81 -8.564 35.116 61.731 620 H ASP 82 H ASP 82 -7.034 35.789 63.617 621 HA ASP 82 HA ASP 82 -8.571 37.744 65.107 622 HB2 ASP 82 HB2 ASP 82 -7.366 35.079 65.692 623 HB3 ASP 82 HB3 ASP 82 -7.663 36.167 67.045 624 H VAL 83 H VAL 83 -5.239 36.485 65.177 625 HA VAL 83 HA VAL 83 -4.113 37.987 67.138 626 HB VAL 83 HB VAL 83 -2.818 37.505 64.452 627 HG11 VAL 83 HG11 VAL 83 -0.996 37.293 66.597 628 HG12 VAL 83 HG12 VAL 83 -1.040 38.510 65.322 629 HG13 VAL 83 HG13 VAL 83 -1.905 38.785 66.835 630 HG21 VAL 83 HG21 VAL 83 -2.565 35.337 64.950 631 HG22 VAL 83 HG22 VAL 83 -2.169 35.680 66.634 632 HG23 VAL 83 HG23 VAL 83 -3.855 35.592 66.126 633 H VAL 84 H VAL 84 -5.346 39.131 64.124 634 HA VAL 84 HA VAL 84 -3.940 41.518 63.808 635 HB VAL 84 HB VAL 84 -5.694 40.426 62.253 636 HG11 VAL 84 HG11 VAL 84 -7.538 42.301 63.717 637 HG12 VAL 84 HG12 VAL 84 -7.939 41.174 62.420 638 HG13 VAL 84 HG13 VAL 84 -7.493 40.563 64.014 639 HG21 VAL 84 HG21 VAL 84 -4.955 43.236 62.646 640 HG22 VAL 84 HG22 VAL 84 -4.883 42.233 61.197 641 HG23 VAL 84 HG23 VAL 84 -6.403 42.992 61.669 642 H GLY 85 H GLY 85 -6.796 40.785 65.765 643 HA2 GLY 85 HA2 GLY 85 -6.444 43.412 67.073 644 HA3 GLY 85 HA3 GLY 85 -8.034 42.746 66.730 645 H MET 86 H MET 86 -6.234 40.146 67.500 646 HA MET 86 HA MET 86 -7.493 39.688 69.958 647 HB2 MET 86 HB2 MET 86 -6.553 37.923 68.477 648 HB3 MET 86 HB3 MET 86 -4.936 38.426 68.953 649 HG2 MET 86 HG2 MET 86 -5.026 37.264 70.842 650 HG3 MET 86 HG3 MET 86 -6.626 37.886 71.241 651 HE1 MET 86 HE1 MET 86 -5.566 33.886 69.341 652 HE2 MET 86 HE2 MET 86 -4.755 35.372 68.847 653 HE3 MET 86 HE3 MET 86 -4.638 34.818 70.517 654 HA PRO 87 HA PRO 87 -3.236 40.974 71.923 655 HB2 PRO 87 HB2 PRO 87 -1.691 42.609 70.403 656 HB3 PRO 87 HB3 PRO 87 -1.549 40.847 70.369 657 HG2 PRO 87 HG2 PRO 87 -2.980 42.668 68.473 658 HG3 PRO 87 HG3 PRO 87 -1.957 41.263 68.119 659 HD2 PRO 87 HD2 PRO 87 -4.662 41.142 68.084 660 HD3 PRO 87 HD3 PRO 87 -3.650 39.762 68.558 661 H GLN 88 H GLN 88 -2.322 43.184 72.634 662 HA GLN 88 HA GLN 88 -4.570 44.975 72.936 663 HB2 GLN 88 HB2 GLN 88 -3.084 46.189 74.498 664 HB3 GLN 88 HB3 GLN 88 -3.225 44.480 74.889 665 HG2 GLN 88 HG2 GLN 88 -1.018 44.737 73.161 666 HG3 GLN 88 HG3 GLN 88 -0.887 46.023 74.358 667 HE21 GLN 88 HE21 GLN 88 0.691 45.277 75.637 668 HE22 GLN 88 HE22 GLN 88 0.643 43.778 76.494 669 H TRP 89 H TRP 89 -1.477 44.927 71.291 670 HA TRP 89 HA TRP 89 -0.972 47.518 70.685 671 HD1 TRP 89 HD1 TRP 89 -0.669 43.215 68.655 672 HE1 TRP 89 HE1 TRP 89 -1.880 42.698 66.444 673 HE3 TRP 89 HE3 TRP 89 -1.645 47.995 67.128 674 HZ2 TRP 89 HZ2 TRP 89 -3.088 44.128 64.331 675 HZ3 TRP 89 HZ3 TRP 89 -2.832 48.334 65.000 676 HH2 TRP 89 HH2 TRP 89 -3.538 46.440 63.632 677 HB2 TRP 89 HB2 TRP 89 0.241 46.783 68.837 678 HB3 TRP 89 HB3 TRP 89 0.160 45.334 69.838 679 H GLN 90 H GLN 90 -3.390 45.467 69.094 680 HA GLN 90 HA GLN 90 -4.237 47.113 67.074 681 HB2 GLN 90 HB2 GLN 90 -5.164 44.924 67.265 682 HB3 GLN 90 HB3 GLN 90 -5.827 45.272 68.856 683 HG2 GLN 90 HG2 GLN 90 -7.506 45.222 67.027 684 HG3 GLN 90 HG3 GLN 90 -7.468 46.728 67.942 685 HE21 GLN 90 HE21 GLN 90 -8.575 47.609 66.082 686 HE22 GLN 90 HE22 GLN 90 -7.657 48.125 64.712 687 H GLU 91 H GLU 91 -5.280 47.183 70.466 688 HA GLU 91 HA GLU 91 -6.955 49.495 70.016 689 HB2 GLU 91 HB2 GLU 91 -6.721 47.484 72.017 690 HB3 GLU 91 HB3 GLU 91 -6.499 49.045 72.796 691 HG2 GLU 91 HG2 GLU 91 -8.615 49.811 71.787 692 HG3 GLU 91 HG3 GLU 91 -8.846 48.198 71.113 693 H TYR 92 H TYR 92 -4.036 48.808 71.940 694 HA TYR 92 HA TYR 92 -3.488 51.246 73.000 695 HD1 TYR 92 HD1 TYR 92 -0.270 51.869 73.662 696 HD2 TYR 92 HD2 TYR 92 -2.597 48.466 74.715 697 HE1 TYR 92 HE1 TYR 92 0.333 52.195 76.025 698 HE2 TYR 92 HE2 TYR 92 -2.002 48.784 77.080 699 HH TYR 92 HH TYR 92 -1.117 50.259 78.575 700 HB2 TYR 92 HB2 TYR 92 -1.991 48.891 72.405 701 HB3 TYR 92 HB3 TYR 92 -1.015 50.289 71.967 702 H THR 93 H THR 93 -2.097 50.203 69.884 703 HA THR 93 HA THR 93 -1.070 52.641 69.091 704 HB THR 93 HB THR 93 -1.064 51.813 66.821 705 HG1 THR 93 HG1 THR 93 -2.704 49.652 67.668 706 HG21 THR 93 HG21 THR 93 0.276 50.667 68.796 707 HG22 THR 93 HG22 THR 93 0.342 50.033 67.151 708 HG23 THR 93 HG23 THR 93 -0.717 49.280 68.346 709 H ALA 94 H ALA 94 -4.361 51.470 68.931 710 HA ALA 94 HA ALA 94 -5.349 53.461 67.157 711 HB1 ALA 94 HB1 ALA 94 -7.537 52.703 68.588 712 HB2 ALA 94 HB2 ALA 94 -6.907 51.849 67.179 713 HB3 ALA 94 HB3 ALA 94 -6.472 51.314 68.803 714 H MET 95 H MET 95 -4.580 53.435 70.512 715 HA MET 95 HA MET 95 -6.248 55.707 71.165 716 HB2 MET 95 HB2 MET 95 -4.800 53.706 72.619 717 HB3 MET 95 HB3 MET 95 -4.294 55.297 73.173 718 HG2 MET 95 HG2 MET 95 -6.531 55.892 73.739 719 HG3 MET 95 HG3 MET 95 -7.166 54.437 72.974 720 HE1 MET 95 HE1 MET 95 -8.443 54.745 75.082 721 HE2 MET 95 HE2 MET 95 -8.226 53.391 76.192 722 HE3 MET 95 HE3 MET 95 -7.670 55.001 76.647 723 H LEU 96 H LEU 96 -2.830 55.046 70.574 724 HA LEU 96 HA LEU 96 -2.031 57.762 71.098 725 HG LEU 96 HG LEU 96 -1.361 54.517 69.610 726 HB2 LEU 96 HB2 LEU 96 0.093 56.764 69.834 727 HB3 LEU 96 HB3 LEU 96 -0.243 56.462 71.537 728 HD11 LEU 96 HD11 LEU 96 0.701 54.649 68.535 729 HD12 LEU 96 HD12 LEU 96 0.914 53.333 69.687 730 HD13 LEU 96 HD13 LEU 96 1.577 54.928 70.040 731 HD21 LEU 96 HD21 LEU 96 -0.821 52.961 71.352 732 HD22 LEU 96 HD22 LEU 96 -1.598 54.367 72.082 733 HD23 LEU 96 HD23 LEU 96 0.151 54.169 72.195 734 H ARG 97 H ARG 97 -1.880 55.730 68.165 735 HA ARG 97 HA ARG 97 -1.271 57.705 66.341 736 HE ARG 97 HE ARG 97 -2.262 53.373 63.499 737 HB2 ARG 97 HB2 ARG 97 -1.911 56.211 64.654 738 HB3 ARG 97 HB3 ARG 97 -1.470 55.166 65.998 739 HG2 ARG 97 HG2 ARG 97 -4.025 55.305 66.549 740 HG3 ARG 97 HG3 ARG 97 -4.151 55.745 64.845 741 HD2 ARG 97 HD2 ARG 97 -2.627 53.322 65.757 742 HD3 ARG 97 HD3 ARG 97 -4.364 53.270 65.449 743 HH11 ARG 97 HH11 ARG 97 -5.599 54.142 64.132 744 HH12 ARG 97 HH12 ARG 97 -6.060 54.102 62.463 745 HH21 ARG 97 HH21 ARG 97 -2.858 53.319 61.298 746 HH22 ARG 97 HH22 ARG 97 -4.500 53.633 60.852 747 H GLU 98 H GLU 98 -4.416 56.809 67.654 748 HA GLU 98 HA GLU 98 -5.835 58.652 65.942 749 HB2 GLU 98 HB2 GLU 98 -6.744 56.446 66.865 750 HB3 GLU 98 HB3 GLU 98 -6.932 57.291 68.395 751 HG2 GLU 98 HG2 GLU 98 -8.684 58.522 67.665 752 HG3 GLU 98 HG3 GLU 98 -8.093 58.585 66.005 753 H ARG 99 H ARG 99 -5.323 58.398 69.464 754 HA ARG 99 HA ARG 99 -6.181 61.137 69.841 755 HE ARG 99 HE ARG 99 -8.999 61.492 73.359 756 HB2 ARG 99 HB2 ARG 99 -6.271 58.901 71.424 757 HB3 ARG 99 HB3 ARG 99 -4.910 59.776 72.111 758 HG2 ARG 99 HG2 ARG 99 -6.970 60.338 73.258 759 HG3 ARG 99 HG3 ARG 99 -6.322 61.745 72.411 760 HD2 ARG 99 HD2 ARG 99 -7.934 61.559 70.685 761 HD3 ARG 99 HD3 ARG 99 -8.428 59.956 71.226 762 HH11 ARG 99 HH11 ARG 99 -9.737 61.799 69.971 763 HH12 ARG 99 HH12 ARG 99 -11.228 62.640 70.239 764 HH21 ARG 99 HH21 ARG 99 -10.960 62.599 73.724 765 HH22 ARG 99 HH22 ARG 99 -11.923 63.096 72.373 766 H PHE 100 H PHE 100 -3.681 60.410 68.327 767 HA PHE 100 HA PHE 100 -1.384 61.051 69.769 768 HD1 PHE 100 HD1 PHE 100 -3.601 61.454 66.128 769 HD2 PHE 100 HD2 PHE 100 0.204 63.232 66.820 770 HE1 PHE 100 HE1 PHE 100 -4.089 63.157 64.419 771 HE2 PHE 100 HE2 PHE 100 -0.278 64.937 65.114 772 HZ PHE 100 HZ PHE 100 -2.426 64.901 63.910 773 HB2 PHE 100 HB2 PHE 100 -0.298 61.123 67.740 774 HB3 PHE 100 HB3 PHE 100 -1.751 60.243 67.277 775 H ALA 101 H ALA 101 -3.857 63.100 68.395 776 HA ALA 101 HA ALA 101 -2.678 65.554 68.238 777 HB1 ALA 101 HB1 ALA 101 -5.302 64.592 68.336 778 HB2 ALA 101 HB2 ALA 101 -5.207 65.846 69.572 779 HB3 ALA 101 HB3 ALA 101 -4.769 66.217 67.904 780 H GLY 102 H GLY 102 -3.160 63.665 71.072 781 HA2 GLY 102 HA2 GLY 102 -1.812 65.704 72.657 782 HA3 GLY 102 HA3 GLY 102 -3.420 65.248 73.197 783 H LEU 103 H LEU 103 -0.454 63.595 72.100 784 HA LEU 103 HA LEU 103 -0.875 61.226 73.506 785 HG LEU 103 HG LEU 103 0.079 61.886 70.858 786 HB2 LEU 103 HB2 LEU 103 1.736 62.532 72.755 787 HB3 LEU 103 HB3 LEU 103 1.545 60.853 73.256 788 HD11 LEU 103 HD11 LEU 103 1.960 62.272 69.751 789 HD12 LEU 103 HD12 LEU 103 2.394 60.577 69.970 790 HD13 LEU 103 HD13 LEU 103 2.930 61.783 71.140 791 HD21 LEU 103 HD21 LEU 103 1.064 59.208 71.811 792 HD22 LEU 103 HD22 LEU 103 0.469 59.486 70.175 793 HD23 LEU 103 HD23 LEU 103 -0.602 59.730 71.555 794 H ASP 104 H ASP 104 -1.351 61.241 75.623 795 HA ASP 104 HA ASP 104 0.476 62.684 77.429 796 HB2 ASP 104 HB2 ASP 104 -2.116 63.232 77.259 797 HB3 ASP 104 HB3 ASP 104 -2.238 61.848 78.343 798 H THR 105 H THR 105 -1.147 59.680 76.719 799 HA THR 105 HA THR 105 -0.876 58.194 78.980 800 HB THR 105 HB THR 105 -0.617 56.206 77.594 801 HG1 THR 105 HG1 THR 105 0.862 57.586 76.084 802 HG21 THR 105 HG21 THR 105 -2.712 57.964 77.493 803 HG22 THR 105 HG22 THR 105 -2.722 56.337 76.816 804 HG23 THR 105 HG23 THR 105 -2.354 57.719 75.784 805 H ILE 106 H ILE 106 1.680 59.284 76.863 806 HA ILE 106 HA ILE 106 3.674 57.674 78.249 807 HB ILE 106 HB ILE 106 4.004 59.644 75.983 808 HG12 ILE 106 HG12 ILE 106 4.610 56.938 75.286 809 HG13 ILE 106 HG13 ILE 106 3.015 56.978 76.029 810 HG21 ILE 106 HG21 ILE 106 6.237 59.182 75.917 811 HG22 ILE 106 HG22 ILE 106 5.957 59.035 77.651 812 HG23 ILE 106 HG23 ILE 106 6.042 57.589 76.647 813 HD11 ILE 106 HD11 ILE 106 3.124 57.237 73.516 814 HD12 ILE 106 HD12 ILE 106 2.176 58.435 74.397 815 HD13 ILE 106 HD13 ILE 106 3.790 58.843 73.815 Start of MODEL 2 1 H LYS 1 H LYS 1 20.139 35.953 49.152 2 HA LYS 1 HA LYS 1 17.417 36.969 49.405 3 HB2 LYS 1 HB2 LYS 1 18.520 34.634 47.831 4 HB3 LYS 1 HB3 LYS 1 16.850 35.182 47.788 5 HG2 LYS 1 HG2 LYS 1 18.451 37.432 47.242 6 HG3 LYS 1 HG3 LYS 1 19.089 36.099 46.277 7 HD2 LYS 1 HD2 LYS 1 16.154 36.748 46.380 8 HD3 LYS 1 HD3 LYS 1 17.248 37.510 45.224 9 HE2 LYS 1 HE2 LYS 1 16.927 34.529 45.521 10 HE3 LYS 1 HE3 LYS 1 16.023 35.500 44.360 11 HZ1 LYS 1 HZ1 LYS 1 18.292 36.267 43.558 12 HZ2 LYS 1 HZ2 LYS 1 17.839 34.683 43.176 13 HZ3 LYS 1 HZ3 LYS 1 18.930 34.970 44.436 14 H GLN 2 H GLN 2 19.307 34.081 50.206 15 HA GLN 2 HA GLN 2 17.071 32.854 51.568 16 HB2 GLN 2 HB2 GLN 2 19.768 32.050 50.731 17 HB3 GLN 2 HB3 GLN 2 19.267 31.379 52.278 18 HG2 GLN 2 HG2 GLN 2 17.058 30.925 50.785 19 HG3 GLN 2 HG3 GLN 2 18.323 30.790 49.565 20 HE21 GLN 2 HE21 GLN 2 20.343 29.581 50.657 21 HE22 GLN 2 HE22 GLN 2 19.923 28.046 51.327 22 H GLN 3 H GLN 3 20.245 34.168 52.490 23 HA GLN 3 HA GLN 3 19.535 34.016 55.304 24 HB2 GLN 3 HB2 GLN 3 22.050 34.908 53.889 25 HB3 GLN 3 HB3 GLN 3 21.850 34.943 55.636 26 HG2 GLN 3 HG2 GLN 3 21.498 32.428 54.041 27 HG3 GLN 3 HG3 GLN 3 23.071 32.955 54.636 28 HE21 GLN 3 HE21 GLN 3 20.155 31.390 55.380 29 HE22 GLN 3 HE22 GLN 3 20.450 31.120 57.061 30 H LEU 4 H LEU 4 19.199 35.752 56.645 31 HA LEU 4 HA LEU 4 18.529 38.258 55.300 32 HG LEU 4 HG LEU 4 15.505 37.867 57.330 33 HB2 LEU 4 HB2 LEU 4 17.689 36.894 57.780 34 HB3 LEU 4 HB3 LEU 4 17.750 38.655 57.844 35 HD11 LEU 4 HD11 LEU 4 16.696 39.932 56.207 36 HD12 LEU 4 HD12 LEU 4 15.061 39.452 55.751 37 HD13 LEU 4 HD13 LEU 4 16.431 38.990 54.739 38 HD21 LEU 4 HD21 LEU 4 14.970 36.393 55.687 39 HD22 LEU 4 HD22 LEU 4 16.606 35.825 56.023 40 HD23 LEU 4 HD23 LEU 4 16.308 36.890 54.649 41 H GLN 5 H GLN 5 19.031 40.307 56.470 42 HA GLN 5 HA GLN 5 21.748 40.705 56.740 43 HB2 GLN 5 HB2 GLN 5 19.328 42.242 57.521 44 HB3 GLN 5 HB3 GLN 5 20.859 42.743 58.226 45 HG2 GLN 5 HG2 GLN 5 21.764 43.324 56.174 46 HG3 GLN 5 HG3 GLN 5 20.611 42.337 55.277 47 HE21 GLN 5 HE21 GLN 5 21.025 44.853 54.451 48 HE22 GLN 5 HE22 GLN 5 19.665 45.854 54.816 49 H GLU 6 H GLU 6 23.116 41.083 58.535 50 HA GLU 6 HA GLU 6 22.876 39.201 60.612 51 HB2 GLU 6 HB2 GLU 6 24.824 41.092 59.699 52 HB3 GLU 6 HB3 GLU 6 24.657 41.243 61.442 53 HG2 GLU 6 HG2 GLU 6 24.950 38.740 61.564 54 HG3 GLU 6 HG3 GLU 6 25.411 38.804 59.864 55 H HIS 7 H HIS 7 23.239 39.999 62.994 56 HA HIS 7 HA HIS 7 20.938 41.697 63.619 57 HD1 HIS 7 HD1 HIS 7 18.953 39.988 65.909 58 HD2 HIS 7 HD2 HIS 7 21.372 37.899 63.255 59 HE1 HIS 7 HE1 HIS 7 17.513 38.137 65.003 60 HB2 HIS 7 HB2 HIS 7 22.518 39.709 65.248 61 HB3 HIS 7 HB3 HIS 7 21.315 40.779 65.964 62 H ALA 8 H ALA 8 21.381 43.782 63.881 63 HA ALA 8 HA ALA 8 23.742 44.515 65.479 64 HB1 ALA 8 HB1 ALA 8 22.814 45.739 62.896 65 HB2 ALA 8 HB2 ALA 8 23.879 46.586 64.018 66 HB3 ALA 8 HB3 ALA 8 24.397 45.067 63.287 67 HA PRO 9 HA PRO 9 20.894 46.803 67.936 68 HB2 PRO 9 HB2 PRO 9 22.618 48.571 69.064 69 HB3 PRO 9 HB3 PRO 9 22.551 46.866 69.527 70 HG2 PRO 9 HG2 PRO 9 24.454 48.252 67.679 71 HG3 PRO 9 HG3 PRO 9 24.789 47.033 68.922 72 HD2 PRO 9 HD2 PRO 9 24.628 46.422 66.290 73 HD3 PRO 9 HD3 PRO 9 24.140 45.287 67.564 74 H SER 10 H SER 10 23.302 48.834 66.254 75 HA SER 10 HA SER 10 23.134 50.858 65.224 76 HG SER 10 HG SER 10 22.077 51.853 63.491 77 HB2 SER 10 HB2 SER 10 21.341 49.187 64.028 78 HB3 SER 10 HB3 SER 10 20.294 50.527 64.496 79 H HIS 11 H HIS 11 22.507 50.793 68.019 80 HA HIS 11 HA HIS 11 20.211 52.233 68.707 81 HD1 HIS 11 HD1 HIS 11 23.341 53.929 71.576 82 HD2 HIS 11 HD2 HIS 11 24.304 50.873 68.933 83 HE1 HIS 11 HE1 HIS 11 25.852 53.925 71.439 84 HB2 HIS 11 HB2 HIS 11 21.335 52.718 70.811 85 HB3 HIS 11 HB3 HIS 11 21.641 51.050 70.339 86 H ALA 12 H ALA 12 19.673 54.101 67.766 87 HA ALA 12 HA ALA 12 21.389 56.395 68.130 88 HB1 ALA 12 HB1 ALA 12 21.450 57.044 65.784 89 HB2 ALA 12 HB2 ALA 12 22.238 55.485 66.023 90 HB3 ALA 12 HB3 ALA 12 20.614 55.557 65.338 91 H ASN 13 H ASN 13 20.291 58.419 67.313 92 HA ASN 13 HA ASN 13 17.762 58.675 68.426 93 HB2 ASN 13 HB2 ASN 13 19.444 60.349 66.628 94 HB3 ASN 13 HB3 ASN 13 17.740 60.777 66.773 95 HD21 ASN 13 HD21 ASN 13 20.776 60.471 68.444 96 HD22 ASN 13 HD22 ASN 13 20.331 61.392 69.836 97 H LEU 14 H LEU 14 15.785 58.155 67.766 98 HA LEU 14 HA LEU 14 14.046 57.475 66.469 99 HG LEU 14 HG LEU 14 12.969 59.427 65.924 100 HB2 LEU 14 HB2 LEU 14 15.624 59.171 64.590 101 HB3 LEU 14 HB3 LEU 14 14.264 58.234 63.972 102 HD11 LEU 14 HD11 LEU 14 15.529 60.758 65.927 103 HD12 LEU 14 HD12 LEU 14 14.181 60.906 67.053 104 HD13 LEU 14 HD13 LEU 14 14.218 61.888 65.589 105 HD21 LEU 14 HD21 LEU 14 12.763 61.445 64.228 106 HD22 LEU 14 HD22 LEU 14 12.108 59.851 63.855 107 HD23 LEU 14 HD23 LEU 14 13.663 60.344 63.183 108 H ASP 15 H ASP 15 16.165 55.656 66.895 109 HA ASP 15 HA ASP 15 15.665 53.843 64.688 110 HB2 ASP 15 HB2 ASP 15 17.962 55.319 64.553 111 HB3 ASP 15 HB3 ASP 15 18.517 53.883 65.408 112 H VAL 16 H VAL 16 14.852 52.169 65.766 113 HA VAL 16 HA VAL 16 16.378 51.121 68.055 114 HB VAL 16 HB VAL 16 14.168 50.382 69.030 115 HG11 VAL 16 HG11 VAL 16 13.624 52.971 69.579 116 HG12 VAL 16 HG12 VAL 16 14.938 52.058 70.324 117 HG13 VAL 16 HG13 VAL 16 15.264 53.111 68.947 118 HG21 VAL 16 HG21 VAL 16 13.106 52.358 67.015 119 HG22 VAL 16 HG22 VAL 16 12.771 50.628 67.075 120 HG23 VAL 16 HG23 VAL 16 12.180 51.686 68.356 121 H LYS 17 H LYS 17 15.695 48.811 68.562 122 HA LYS 17 HA LYS 17 15.934 47.270 66.151 123 HB2 LYS 17 HB2 LYS 17 15.509 46.264 68.968 124 HB3 LYS 17 HB3 LYS 17 16.151 45.356 67.605 125 HG2 LYS 17 HG2 LYS 17 18.199 46.404 67.698 126 HG3 LYS 17 HG3 LYS 17 17.554 47.824 68.524 127 HD2 LYS 17 HD2 LYS 17 17.722 46.872 70.574 128 HD3 LYS 17 HD3 LYS 17 17.337 45.258 69.973 129 HE2 LYS 17 HE2 LYS 17 19.681 45.432 68.842 130 HE3 LYS 17 HE3 LYS 17 19.965 46.679 70.054 131 HZ1 LYS 17 HZ1 LYS 17 19.074 44.852 71.655 132 HZ2 LYS 17 HZ2 LYS 17 20.686 44.817 71.141 133 HZ3 LYS 17 HZ3 LYS 17 19.546 43.797 70.419 134 H TRP 18 H TRP 18 14.540 45.130 66.146 135 HA TRP 18 HA TRP 18 11.982 45.780 65.338 136 HD1 TRP 18 HD1 TRP 18 13.702 45.309 63.570 137 HE1 TRP 18 HE1 TRP 18 15.605 44.122 62.307 138 HE3 TRP 18 HE3 TRP 18 13.660 40.839 66.052 139 HZ2 TRP 18 HZ2 TRP 18 16.915 41.622 62.356 140 HZ3 TRP 18 HZ3 TRP 18 15.269 39.103 65.381 141 HH2 TRP 18 HH2 TRP 18 16.861 39.488 63.571 142 HB2 TRP 18 HB2 TRP 18 12.631 43.086 66.515 143 HB3 TRP 18 HB3 TRP 18 11.553 43.467 65.176 144 H LEU 19 H LEU 19 9.975 44.583 66.379 145 HA LEU 19 HA LEU 19 8.965 45.971 68.419 146 HG LEU 19 HG LEU 19 7.009 45.246 69.401 147 HB2 LEU 19 HB2 LEU 19 8.055 43.887 67.084 148 HB3 LEU 19 HB3 LEU 19 8.503 43.032 68.558 149 HD11 LEU 19 HD11 LEU 19 6.231 45.548 67.108 150 HD12 LEU 19 HD12 LEU 19 4.923 45.016 68.164 151 HD13 LEU 19 HD13 LEU 19 5.690 43.870 67.065 152 HD21 LEU 19 HD21 LEU 19 6.137 42.381 69.043 153 HD22 LEU 19 HD22 LEU 19 5.439 43.565 70.148 154 HD23 LEU 19 HD23 LEU 19 7.089 42.993 70.396 155 H ASP 20 H ASP 20 10.362 42.760 69.100 156 HA ASP 20 HA ASP 20 11.169 43.784 71.742 157 HB2 ASP 20 HB2 ASP 20 9.446 41.873 71.557 158 HB3 ASP 20 HB3 ASP 20 10.814 40.870 71.082 159 H GLY 21 H GLY 21 13.010 42.243 72.657 160 HA2 GLY 21 HA2 GLY 21 15.080 41.171 72.275 161 HA3 GLY 21 HA3 GLY 21 14.972 41.619 70.580 162 H LEU 22 H LEU 22 14.744 43.585 73.533 163 HA LEU 22 HA LEU 22 17.147 45.038 72.658 164 HG LEU 22 HG LEU 22 15.840 46.278 70.977 165 HB2 LEU 22 HB2 LEU 22 14.581 46.236 73.686 166 HB3 LEU 22 HB3 LEU 22 16.076 47.133 73.433 167 HD11 LEU 22 HD11 LEU 22 12.939 46.300 71.752 168 HD12 LEU 22 HD12 LEU 22 13.878 44.811 71.652 169 HD13 LEU 22 HD13 LEU 22 13.666 45.818 70.219 170 HD21 LEU 22 HD21 LEU 22 14.923 48.329 70.399 171 HD22 LEU 22 HD22 LEU 22 15.591 48.638 72.002 172 HD23 LEU 22 HD23 LEU 22 13.859 48.366 71.805 173 H ARG 23 H ARG 23 18.628 44.600 74.158 174 HA ARG 23 HA ARG 23 17.813 44.412 76.967 175 HE ARG 23 HE ARG 23 20.162 39.407 77.442 176 HB2 ARG 23 HB2 ARG 23 20.179 43.423 75.415 177 HB3 ARG 23 HB3 ARG 23 20.297 43.621 77.158 178 HG2 ARG 23 HG2 ARG 23 18.759 41.951 77.587 179 HG3 ARG 23 HG3 ARG 23 18.042 42.060 75.978 180 HD2 ARG 23 HD2 ARG 23 19.737 40.841 74.994 181 HD3 ARG 23 HD3 ARG 23 20.894 41.230 76.267 182 HH11 ARG 23 HH11 ARG 23 17.855 40.159 74.945 183 HH12 ARG 23 HH12 ARG 23 16.917 38.725 75.199 184 HH21 ARG 23 HH21 ARG 23 18.935 37.515 77.786 185 HH22 ARG 23 HH22 ARG 23 17.532 37.222 76.815 186 H ALA 24 H ALA 24 19.888 46.211 74.782 187 HA ALA 24 HA ALA 24 21.556 47.606 76.391 188 HB1 ALA 24 HB1 ALA 24 20.038 49.218 74.407 189 HB2 ALA 24 HB2 ALA 24 21.775 49.132 74.707 190 HB3 ALA 24 HB3 ALA 24 20.966 47.834 73.829 191 H GLY 25 H GLY 25 18.359 48.940 75.515 192 HA2 GLY 25 HA2 GLY 25 17.065 49.432 77.734 193 HA3 GLY 25 HA3 GLY 25 18.422 50.520 77.985 194 H SER 26 H SER 26 15.833 49.755 75.681 195 HA SER 26 HA SER 26 15.805 52.600 74.911 196 HG SER 26 HG SER 26 14.625 49.361 73.626 197 HB2 SER 26 HB2 SER 26 15.119 52.011 72.744 198 HB3 SER 26 HB3 SER 26 16.312 50.775 73.145 199 H MET 27 H MET 27 14.353 50.788 77.026 200 HA MET 27 HA MET 27 12.356 50.865 78.112 201 HB2 MET 27 HB2 MET 27 12.440 53.347 76.582 202 HB3 MET 27 HB3 MET 27 10.798 52.786 76.867 203 HG2 MET 27 HG2 MET 27 12.735 52.891 79.130 204 HG3 MET 27 HG3 MET 27 11.963 54.370 78.566 205 HE1 MET 27 HE1 MET 27 11.478 50.799 79.923 206 HE2 MET 27 HE2 MET 27 9.758 50.719 80.307 207 HE3 MET 27 HE3 MET 27 10.285 50.724 78.624 208 H ALA 28 H ALA 28 12.741 49.151 75.823 209 HA ALA 28 HA ALA 28 10.916 48.909 73.898 210 HB1 ALA 28 HB1 ALA 28 12.390 47.114 74.142 211 HB2 ALA 28 HB2 ALA 28 11.886 46.808 75.804 212 HB3 ALA 28 HB3 ALA 28 10.805 46.413 74.468 213 H LEU 29 H LEU 29 10.219 48.646 77.319 214 HA LEU 29 HA LEU 29 7.785 47.463 77.446 215 HG LEU 29 HG LEU 29 6.570 47.794 79.490 216 HB2 LEU 29 HB2 LEU 29 9.271 49.005 79.136 217 HB3 LEU 29 HB3 LEU 29 7.847 50.015 78.891 218 HD11 LEU 29 HD11 LEU 29 7.729 46.127 80.400 219 HD12 LEU 29 HD12 LEU 29 8.660 47.224 81.417 220 HD13 LEU 29 HD13 LEU 29 9.174 46.909 79.760 221 HD21 LEU 29 HD21 LEU 29 6.976 48.490 81.987 222 HD22 LEU 29 HD22 LEU 29 6.133 49.569 80.875 223 HD23 LEU 29 HD23 LEU 29 7.836 49.841 81.246 224 H GLN 30 H GLN 30 8.291 50.916 76.714 225 HA GLN 30 HA GLN 30 5.621 50.938 75.468 226 HB2 GLN 30 HB2 GLN 30 6.950 52.810 77.301 227 HB3 GLN 30 HB3 GLN 30 6.196 53.577 75.910 228 HG2 GLN 30 HG2 GLN 30 4.066 52.639 76.468 229 HG3 GLN 30 HG3 GLN 30 4.781 51.669 77.755 230 HE21 GLN 30 HE21 GLN 30 5.127 52.565 79.720 231 HE22 GLN 30 HE22 GLN 30 4.682 54.180 80.141 232 H GLY 31 H GLY 31 8.996 51.752 75.147 233 HA2 GLY 31 HA2 GLY 31 9.149 53.477 73.065 234 HA3 GLY 31 HA3 GLY 31 10.221 52.092 73.215 235 H ASP 32 H ASP 32 8.027 50.166 72.891 236 HA ASP 32 HA ASP 32 8.191 49.744 70.141 237 HB2 ASP 32 HB2 ASP 32 6.284 48.140 70.501 238 HB3 ASP 32 HB3 ASP 32 7.659 47.905 71.576 239 H VAL 33 H VAL 33 5.338 50.831 71.991 240 HA VAL 33 HA VAL 33 4.001 51.655 69.564 241 HB VAL 33 HB VAL 33 3.155 52.017 72.442 242 HG11 VAL 33 HG11 VAL 33 2.188 53.391 70.344 243 HG12 VAL 33 HG12 VAL 33 1.173 51.950 70.257 244 HG13 VAL 33 HG13 VAL 33 1.209 52.917 71.733 245 HG21 VAL 33 HG21 VAL 33 3.449 49.647 71.691 246 HG22 VAL 33 HG22 VAL 33 1.805 50.064 72.172 247 HG23 VAL 33 HG23 VAL 33 2.219 49.945 70.462 248 H LYS 34 H LYS 34 5.369 53.222 72.436 249 HA LYS 34 HA LYS 34 4.687 55.825 72.095 250 HB2 LYS 34 HB2 LYS 34 6.064 55.155 73.949 251 HB3 LYS 34 HB3 LYS 34 7.379 54.698 72.875 252 HG2 LYS 34 HG2 LYS 34 7.967 56.894 72.446 253 HG3 LYS 34 HG3 LYS 34 6.387 57.517 72.930 254 HD2 LYS 34 HD2 LYS 34 7.050 57.767 75.044 255 HD3 LYS 34 HD3 LYS 34 7.679 56.118 75.106 256 HE2 LYS 34 HE2 LYS 34 9.788 56.799 74.794 257 HE3 LYS 34 HE3 LYS 34 9.327 57.922 73.515 258 HZ1 LYS 34 HZ1 LYS 34 8.392 58.933 75.950 259 HZ2 LYS 34 HZ2 LYS 34 9.582 59.581 74.935 260 HZ3 LYS 34 HZ3 LYS 34 10.014 58.502 76.164 261 H VAL 35 H VAL 35 7.083 54.033 70.240 262 HA VAL 35 HA VAL 35 7.795 56.394 68.693 263 HB VAL 35 HB VAL 35 9.444 55.025 67.604 264 HG11 VAL 35 HG11 VAL 35 10.682 54.134 69.619 265 HG12 VAL 35 HG12 VAL 35 10.186 55.825 69.705 266 HG13 VAL 35 HG13 VAL 35 9.274 54.592 70.577 267 HG21 VAL 35 HG21 VAL 35 9.524 52.549 68.625 268 HG22 VAL 35 HG22 VAL 35 7.782 52.817 68.655 269 HG23 VAL 35 HG23 VAL 35 8.668 52.946 67.136 270 H TRP 36 H TRP 36 5.629 53.750 68.534 271 HA TRP 36 HA TRP 36 5.317 53.123 65.917 272 HD1 TRP 36 HD1 TRP 36 2.051 54.644 65.276 273 HE1 TRP 36 HE1 TRP 36 0.456 53.262 63.802 274 HE3 TRP 36 HE3 TRP 36 3.063 49.988 67.130 275 HZ2 TRP 36 HZ2 TRP 36 -0.277 50.556 63.470 276 HZ3 TRP 36 HZ3 TRP 36 1.872 48.056 66.180 277 HH2 TRP 36 HH2 TRP 36 0.236 48.336 64.389 278 HB2 TRP 36 HB2 TRP 36 3.900 52.174 67.654 279 HB3 TRP 36 HB3 TRP 36 3.108 53.729 67.894 280 H MET 37 H MET 37 4.464 56.156 67.450 281 HA MET 37 HA MET 37 3.108 57.169 65.108 282 HB2 MET 37 HB2 MET 37 3.019 59.296 66.415 283 HB3 MET 37 HB3 MET 37 2.303 57.919 67.243 284 HG2 MET 37 HG2 MET 37 4.817 57.785 68.191 285 HG3 MET 37 HG3 MET 37 4.672 59.521 67.925 286 HE1 MET 37 HE1 MET 37 2.459 56.662 68.782 287 HE2 MET 37 HE2 MET 37 3.068 56.524 70.431 288 HE3 MET 37 HE3 MET 37 1.467 57.203 70.135 289 H GLN 38 H GLN 38 6.090 58.010 66.873 290 HA GLN 38 HA GLN 38 7.046 59.952 65.146 291 HB2 GLN 38 HB2 GLN 38 9.049 59.805 66.281 292 HB3 GLN 38 HB3 GLN 38 7.953 59.063 67.439 293 HG2 GLN 38 HG2 GLN 38 9.603 57.521 67.484 294 HG3 GLN 38 HG3 GLN 38 8.664 56.869 66.141 295 HE21 GLN 38 HE21 GLN 38 11.462 56.498 66.684 296 HE22 GLN 38 HE22 GLN 38 12.324 57.126 65.327 297 H ASN 39 H ASN 39 7.024 56.492 64.802 298 HA ASN 39 HA ASN 39 8.996 56.267 62.789 299 HB2 ASN 39 HB2 ASN 39 7.178 54.530 64.149 300 HB3 ASN 39 HB3 ASN 39 7.031 54.246 62.417 301 HD21 ASN 39 HD21 ASN 39 9.496 54.566 61.464 302 HD22 ASN 39 HD22 ASN 39 10.592 53.434 62.173 303 H LEU 40 H LEU 40 5.454 56.518 62.622 304 HA LEU 40 HA LEU 40 5.404 56.557 59.763 305 HG LEU 40 HG LEU 40 3.524 56.303 62.972 306 HB2 LEU 40 HB2 LEU 40 3.105 57.736 61.125 307 HB3 LEU 40 HB3 LEU 40 3.182 56.396 59.982 308 HD11 LEU 40 HD11 LEU 40 1.767 54.362 62.242 309 HD12 LEU 40 HD12 LEU 40 1.423 55.615 61.049 310 HD13 LEU 40 HD13 LEU 40 1.316 55.983 62.770 311 HD21 LEU 40 HD21 LEU 40 5.021 54.677 62.618 312 HD22 LEU 40 HD22 LEU 40 4.610 54.539 60.908 313 HD23 LEU 40 HD23 LEU 40 3.632 53.709 62.119 314 H GLU 41 H GLU 41 4.960 59.034 62.277 315 HA GLU 41 HA GLU 41 4.402 61.244 60.790 316 HB2 GLU 41 HB2 GLU 41 5.041 60.847 63.382 317 HB3 GLU 41 HB3 GLU 41 6.507 61.649 62.834 318 HG2 GLU 41 HG2 GLU 41 5.161 63.519 62.001 319 HG3 GLU 41 HG3 GLU 41 3.705 62.720 62.591 320 H ASP 42 H ASP 42 7.547 59.703 61.183 321 HA ASP 42 HA ASP 42 8.894 61.721 59.607 322 HB2 ASP 42 HB2 ASP 42 9.681 59.712 61.453 323 HB3 ASP 42 HB3 ASP 42 10.476 59.357 59.922 324 H LEU 43 H LEU 43 7.286 58.729 59.077 325 HA LEU 43 HA LEU 43 8.574 58.218 56.531 326 HG LEU 43 HG LEU 43 7.154 54.814 56.587 327 HB2 LEU 43 HB2 LEU 43 7.517 56.551 58.308 328 HB3 LEU 43 HB3 LEU 43 6.077 56.823 57.329 329 HD11 LEU 43 HD11 LEU 43 6.219 55.793 54.735 330 HD12 LEU 43 HD12 LEU 43 7.901 55.651 54.224 331 HD13 LEU 43 HD13 LEU 43 7.283 57.198 54.802 332 HD21 LEU 43 HD21 LEU 43 9.358 54.870 57.237 333 HD22 LEU 43 HD22 LEU 43 9.605 56.513 56.648 334 HD23 LEU 43 HD23 LEU 43 9.510 55.172 55.506 335 H HIS 44 H HIS 44 5.202 58.787 57.556 336 HA HIS 44 HA HIS 44 3.944 59.079 55.184 337 HD1 HIS 44 HD1 HIS 44 0.882 59.040 55.782 338 HD2 HIS 44 HD2 HIS 44 2.324 62.932 55.976 339 HE1 HIS 44 HE1 HIS 44 -0.859 60.460 54.651 340 HB2 HIS 44 HB2 HIS 44 2.868 59.353 57.404 341 HB3 HIS 44 HB3 HIS 44 3.574 60.962 57.523 342 H THR 45 H THR 45 6.017 61.489 56.721 343 HA THR 45 HA THR 45 5.599 63.709 55.193 344 HB THR 45 HB THR 45 7.272 63.452 57.076 345 HG1 THR 45 HG1 THR 45 7.259 65.390 55.987 346 HG21 THR 45 HG21 THR 45 8.420 61.496 55.837 347 HG22 THR 45 HG22 THR 45 9.433 62.662 56.686 348 HG23 THR 45 HG23 THR 45 9.255 62.760 54.934 349 H ARG 46 H ARG 46 7.497 60.858 54.317 350 HA ARG 46 HA ARG 46 7.950 61.991 51.649 351 HE ARG 46 HE ARG 46 13.401 61.646 51.351 352 HB2 ARG 46 HB2 ARG 46 9.407 60.122 53.373 353 HB3 ARG 46 HB3 ARG 46 9.286 59.589 51.703 354 HG2 ARG 46 HG2 ARG 46 10.042 62.081 51.235 355 HG3 ARG 46 HG3 ARG 46 10.719 61.912 52.856 356 HD2 ARG 46 HD2 ARG 46 12.024 60.026 52.190 357 HD3 ARG 46 HD3 ARG 46 11.211 59.948 50.628 358 HH11 ARG 46 HH11 ARG 46 10.624 61.330 49.273 359 HH12 ARG 46 HH12 ARG 46 11.252 62.389 48.056 360 HH21 ARG 46 HH21 ARG 46 14.238 63.043 49.754 361 HH22 ARG 46 HH22 ARG 46 13.309 63.362 48.329 362 H ARG 47 H ARG 47 6.853 58.984 53.208 363 HA ARG 47 HA ARG 47 5.178 58.480 50.841 364 HE ARG 47 HE ARG 47 7.948 55.294 48.684 365 HB2 ARG 47 HB2 ARG 47 7.379 56.957 51.553 366 HB3 ARG 47 HB3 ARG 47 6.027 56.057 52.227 367 HG2 ARG 47 HG2 ARG 47 6.346 55.176 50.084 368 HG3 ARG 47 HG3 ARG 47 4.952 56.248 49.935 369 HD2 ARG 47 HD2 ARG 47 5.993 57.372 48.329 370 HD3 ARG 47 HD3 ARG 47 7.278 57.791 49.462 371 HH11 ARG 47 HH11 ARG 47 7.131 58.193 46.937 372 HH12 ARG 47 HH12 ARG 47 8.125 57.807 45.572 373 HH21 ARG 47 HH21 ARG 47 9.260 54.774 46.891 374 HH22 ARG 47 HH22 ARG 47 9.335 55.861 45.546 375 HA PRO 48 HA PRO 48 2.146 58.506 54.142 376 HB2 PRO 48 HB2 PRO 48 -0.007 58.380 52.492 377 HB3 PRO 48 HB3 PRO 48 0.889 59.875 52.790 378 HG2 PRO 48 HG2 PRO 48 1.078 57.982 50.478 379 HG3 PRO 48 HG3 PRO 48 1.058 59.756 50.473 380 HD2 PRO 48 HD2 PRO 48 3.343 58.323 50.226 381 HD3 PRO 48 HD3 PRO 48 3.290 59.907 51.027 382 H ASP 49 H ASP 49 2.273 56.233 51.446 383 HA ASP 49 HA ASP 49 0.558 54.315 52.750 384 HB2 ASP 49 HB2 ASP 49 0.663 54.560 50.271 385 HB3 ASP 49 HB3 ASP 49 2.313 53.947 50.313 386 H GLU 50 H GLU 50 4.020 54.561 51.992 387 HA GLU 50 HA GLU 50 4.791 52.102 53.103 388 HB2 GLU 50 HB2 GLU 50 6.081 53.985 51.688 389 HB3 GLU 50 HB3 GLU 50 6.683 54.380 53.293 390 HG2 GLU 50 HG2 GLU 50 8.184 52.867 52.128 391 HG3 GLU 50 HG3 GLU 50 7.504 52.111 53.567 392 H PHE 51 H PHE 51 3.662 54.916 54.596 393 HA PHE 51 HA PHE 51 5.019 55.239 56.924 394 HD1 PHE 51 HD1 PHE 51 2.992 54.509 59.377 395 HD2 PHE 51 HD2 PHE 51 0.357 55.290 56.127 396 HE1 PHE 51 HE1 PHE 51 1.162 53.411 60.601 397 HE2 PHE 51 HE2 PHE 51 -1.477 54.194 57.346 398 HZ PHE 51 HZ PHE 51 -1.077 53.253 59.586 399 HB2 PHE 51 HB2 PHE 51 3.247 56.487 57.511 400 HB3 PHE 51 HB3 PHE 51 2.525 55.996 55.982 401 H THR 52 H THR 52 2.525 52.775 56.333 402 HA THR 52 HA THR 52 2.682 51.579 58.886 403 HB THR 52 HB THR 52 1.377 49.791 58.011 404 HG1 THR 52 HG1 THR 52 2.611 49.334 56.141 405 HG21 THR 52 HG21 THR 52 0.776 52.503 56.937 406 HG22 THR 52 HG22 THR 52 -0.102 51.541 58.124 407 HG23 THR 52 HG23 THR 52 -0.225 51.150 56.409 408 H ALA 53 H ALA 53 4.635 51.299 56.044 409 HA ALA 53 HA ALA 53 5.771 48.768 56.454 410 HB1 ALA 53 HB1 ALA 53 5.959 50.465 54.461 411 HB2 ALA 53 HB2 ALA 53 7.415 50.976 55.315 412 HB3 ALA 53 HB3 ALA 53 7.246 49.303 54.782 413 H ARG 54 H ARG 54 6.150 51.694 58.181 414 HA ARG 54 HA ARG 54 8.783 51.274 59.173 415 HE ARG 54 HE ARG 54 10.121 55.659 59.354 416 HB2 ARG 54 HB2 ARG 54 6.487 53.038 59.938 417 HB3 ARG 54 HB3 ARG 54 7.860 52.883 61.027 418 HG2 ARG 54 HG2 ARG 54 7.953 53.821 58.167 419 HG3 ARG 54 HG3 ARG 54 8.108 54.827 59.608 420 HD2 ARG 54 HD2 ARG 54 10.049 53.087 60.132 421 HD3 ARG 54 HD3 ARG 54 10.048 52.952 58.373 422 HH11 ARG 54 HH11 ARG 54 11.996 52.875 58.435 423 HH12 ARG 54 HH12 ARG 54 13.428 53.788 58.095 424 HH21 ARG 54 HH21 ARG 54 12.000 56.874 58.911 425 HH22 ARG 54 HH22 ARG 54 13.429 56.063 58.366 426 H LEU 55 H LEU 55 5.707 51.159 60.976 427 HA LEU 55 HA LEU 55 6.881 49.497 63.009 428 HG LEU 55 HG LEU 55 2.796 50.717 63.251 429 HB2 LEU 55 HB2 LEU 55 4.843 49.713 64.165 430 HB3 LEU 55 HB3 LEU 55 5.138 51.270 63.396 431 HD11 LEU 55 HD11 LEU 55 4.079 50.324 60.554 432 HD12 LEU 55 HD12 LEU 55 3.885 51.882 61.356 433 HD13 LEU 55 HD13 LEU 55 2.464 50.950 60.884 434 HD21 LEU 55 HD21 LEU 55 1.952 48.703 62.706 435 HD22 LEU 55 HD22 LEU 55 3.558 48.125 63.151 436 HD23 LEU 55 HD23 LEU 55 3.163 48.415 61.456 437 H GLN 56 H GLN 56 5.281 48.968 60.048 438 HA GLN 56 HA GLN 56 3.868 46.629 60.436 439 HB2 GLN 56 HB2 GLN 56 3.666 47.525 58.304 440 HB3 GLN 56 HB3 GLN 56 5.402 47.735 58.116 441 HG2 GLN 56 HG2 GLN 56 5.632 45.747 57.159 442 HG3 GLN 56 HG3 GLN 56 4.685 44.950 58.414 443 HE21 GLN 56 HE21 GLN 56 4.831 45.228 55.261 444 HE22 GLN 56 HE22 GLN 56 3.157 45.204 54.832 445 H GLN 57 H GLN 57 7.342 47.072 60.011 446 HA GLN 57 HA GLN 57 7.928 44.273 59.928 447 HB2 GLN 57 HB2 GLN 57 9.690 46.682 60.400 448 HB3 GLN 57 HB3 GLN 57 10.293 45.036 60.243 449 HG2 GLN 57 HG2 GLN 57 8.581 45.653 58.034 450 HG3 GLN 57 HG3 GLN 57 9.814 46.900 58.208 451 HE21 GLN 57 HE21 GLN 57 10.170 45.741 56.004 452 HE22 GLN 57 HE22 GLN 57 11.369 44.499 56.026 453 H SER 58 H SER 58 7.382 46.575 62.425 454 HA SER 58 HA SER 58 8.765 45.086 64.476 455 HG SER 58 HG SER 58 8.157 47.627 66.734 456 HB2 SER 58 HB2 SER 58 8.537 47.569 64.553 457 HB3 SER 58 HB3 SER 58 6.800 47.369 64.783 458 H THR 59 H THR 59 5.346 46.016 64.042 459 HA THR 59 HA THR 59 4.151 44.507 65.950 460 HB THR 59 HB THR 59 3.235 45.151 63.161 461 HG1 THR 59 HG1 THR 59 2.422 46.825 64.170 462 HG21 THR 59 HG21 THR 59 0.978 44.353 63.843 463 HG22 THR 59 HG22 THR 59 1.711 43.615 65.267 464 HG23 THR 59 HG23 THR 59 2.155 43.054 63.654 465 H ASP 60 H ASP 60 5.768 43.338 63.136 466 HA ASP 60 HA ASP 60 4.613 40.871 62.704 467 HB2 ASP 60 HB2 ASP 60 7.032 42.170 61.983 468 HB3 ASP 60 HB3 ASP 60 7.455 40.563 62.565 469 H ALA 61 H ALA 61 6.992 41.787 65.154 470 HA ALA 61 HA ALA 61 7.348 39.159 66.185 471 HB1 ALA 61 HB1 ALA 61 8.231 41.868 66.878 472 HB2 ALA 61 HB2 ALA 61 8.060 40.772 68.251 473 HB3 ALA 61 HB3 ALA 61 9.114 40.342 66.904 474 H LEU 62 H LEU 62 5.257 41.873 67.040 475 HA LEU 62 HA LEU 62 4.213 40.694 69.407 476 HG LEU 62 HG LEU 62 2.904 42.128 70.674 477 HB2 LEU 62 HB2 LEU 62 4.194 43.161 68.621 478 HB3 LEU 62 HB3 LEU 62 2.730 42.702 67.754 479 HD11 LEU 62 HD11 LEU 62 2.063 44.363 71.190 480 HD12 LEU 62 HD12 LEU 62 2.285 44.838 69.506 481 HD13 LEU 62 HD13 LEU 62 3.684 44.429 70.499 482 HD21 LEU 62 HD21 LEU 62 0.565 43.192 69.141 483 HD22 LEU 62 HD22 LEU 62 0.591 42.181 70.587 484 HD23 LEU 62 HD23 LEU 62 1.016 41.490 69.020 485 H TYR 63 H TYR 63 3.352 40.554 66.023 486 HA TYR 63 HA TYR 63 0.770 39.404 66.408 487 HD1 TYR 63 HD1 TYR 63 3.622 38.018 63.457 488 HD2 TYR 63 HD2 TYR 63 -0.617 38.383 63.440 489 HE1 TYR 63 HE1 TYR 63 3.465 36.044 61.998 490 HE2 TYR 63 HE2 TYR 63 -0.787 36.409 61.982 491 HH TYR 63 HH TYR 63 1.718 34.273 61.480 492 HB2 TYR 63 HB2 TYR 63 0.736 40.157 64.288 493 HB3 TYR 63 HB3 TYR 63 2.490 40.112 64.152 494 H SER 64 H SER 64 3.926 38.059 65.464 495 HA SER 64 HA SER 64 3.019 35.365 65.416 496 HG SER 64 HG SER 64 5.714 34.432 63.950 497 HB2 SER 64 HB2 SER 64 5.487 36.784 64.914 498 HB3 SER 64 HB3 SER 64 5.793 35.330 65.864 499 H HIS 65 H HIS 65 4.553 37.394 67.849 500 HA HIS 65 HA HIS 65 5.194 35.433 69.730 501 HD1 HIS 65 HD1 HIS 65 2.971 37.456 72.245 502 HD2 HIS 65 HD2 HIS 65 7.110 37.162 72.456 503 HE1 HIS 65 HE1 HIS 65 3.504 37.217 74.691 504 HB2 HIS 65 HB2 HIS 65 6.045 37.653 70.016 505 HB3 HIS 65 HB3 HIS 65 4.421 38.332 70.076 506 H LEU 66 H LEU 66 2.200 37.278 69.280 507 HA LEU 66 HA LEU 66 0.864 36.074 71.498 508 HG LEU 66 HG LEU 66 -1.743 36.386 71.239 509 HB2 LEU 66 HB2 LEU 66 0.354 38.315 70.415 510 HB3 LEU 66 HB3 LEU 66 -0.447 37.399 69.140 511 HD11 LEU 66 HD11 LEU 66 -1.685 39.152 72.217 512 HD12 LEU 66 HD12 LEU 66 -0.227 38.214 72.540 513 HD13 LEU 66 HD13 LEU 66 -1.792 37.632 73.104 514 HD21 LEU 66 HD21 LEU 66 -2.280 38.196 69.184 515 HD22 LEU 66 HD22 LEU 66 -2.907 38.954 70.647 516 HD23 LEU 66 HD23 LEU 66 -3.452 37.341 70.187 517 H GLU 67 H GLU 67 0.430 35.742 67.971 518 HA GLU 67 HA GLU 67 -1.418 33.657 68.046 519 HB2 GLU 67 HB2 GLU 67 -0.588 35.101 66.056 520 HB3 GLU 67 HB3 GLU 67 0.650 33.867 65.878 521 HG2 GLU 67 HG2 GLU 67 -2.095 32.854 66.107 522 HG3 GLU 67 HG3 GLU 67 -1.758 33.807 64.663 523 H ALA 68 H ALA 68 2.063 33.628 68.342 524 HA ALA 68 HA ALA 68 2.257 30.754 68.097 525 HB1 ALA 68 HB1 ALA 68 4.625 31.068 68.529 526 HB2 ALA 68 HB2 ALA 68 4.069 32.210 67.305 527 HB3 ALA 68 HB3 ALA 68 4.343 32.754 68.961 528 H GLN 69 H GLN 69 2.928 33.099 70.705 529 HA GLN 69 HA GLN 69 3.183 31.107 72.710 530 HB2 GLN 69 HB2 GLN 69 4.149 33.435 72.794 531 HB3 GLN 69 HB3 GLN 69 2.525 34.023 73.130 532 HG2 GLN 69 HG2 GLN 69 2.828 33.636 75.280 533 HG3 GLN 69 HG3 GLN 69 3.062 31.922 74.943 534 HE21 GLN 69 HE21 GLN 69 4.322 33.725 76.914 535 HE22 GLN 69 HE22 GLN 69 6.023 33.581 76.645 536 H TRP 70 H TRP 70 0.598 33.472 72.053 537 HA TRP 70 HA TRP 70 -1.189 32.538 73.995 538 HD1 TRP 70 HD1 TRP 70 -2.224 35.845 74.478 539 HE1 TRP 70 HE1 TRP 70 -4.552 35.859 75.576 540 HE3 TRP 70 HE3 TRP 70 -4.371 31.999 71.882 541 HZ2 TRP 70 HZ2 TRP 70 -6.977 34.430 75.370 542 HZ3 TRP 70 HZ3 TRP 70 -6.698 31.385 72.394 543 HH2 TRP 70 HH2 TRP 70 -7.972 32.577 74.101 544 HB2 TRP 70 HB2 TRP 70 -1.204 34.669 72.399 545 HB3 TRP 70 HB3 TRP 70 -2.270 33.642 71.445 546 H ALA 71 H ALA 71 -0.371 31.304 70.870 547 HA ALA 71 HA ALA 71 -2.622 29.878 70.147 548 HB1 ALA 71 HB1 ALA 71 -0.510 28.194 69.499 549 HB2 ALA 71 HB2 ALA 71 -1.200 29.465 68.489 550 HB3 ALA 71 HB3 ALA 71 0.197 29.810 69.511 551 H LYS 72 H LYS 72 -0.134 29.045 72.504 552 HA LYS 72 HA LYS 72 -0.691 26.402 73.000 553 HB2 LYS 72 HB2 LYS 72 0.592 28.572 74.409 554 HB3 LYS 72 HB3 LYS 72 -0.286 27.545 75.535 555 HG2 LYS 72 HG2 LYS 72 1.951 26.741 75.378 556 HG3 LYS 72 HG3 LYS 72 0.896 25.581 74.568 557 HD2 LYS 72 HD2 LYS 72 2.761 25.837 73.148 558 HD3 LYS 72 HD3 LYS 72 1.471 26.790 72.409 559 HE2 LYS 72 HE2 LYS 72 3.071 28.377 72.311 560 HE3 LYS 72 HE3 LYS 72 2.595 28.660 73.985 561 HZ1 LYS 72 HZ1 LYS 72 4.387 26.828 74.423 562 HZ2 LYS 72 HZ2 LYS 72 4.840 28.444 74.210 563 HZ3 LYS 72 HZ3 LYS 72 4.994 27.347 72.932 564 H GLN 73 H GLN 73 -2.622 29.178 73.741 565 HA GLN 73 HA GLN 73 -4.226 28.167 75.795 566 HB2 GLN 73 HB2 GLN 73 -4.809 30.162 73.610 567 HB3 GLN 73 HB3 GLN 73 -5.950 29.798 74.898 568 HG2 GLN 73 HG2 GLN 73 -3.232 31.049 75.136 569 HG3 GLN 73 HG3 GLN 73 -4.798 31.759 75.529 570 HE21 GLN 73 HE21 GLN 73 -2.257 31.161 77.075 571 HE22 GLN 73 HE22 GLN 73 -2.816 30.356 78.497 572 H HIS 74 H HIS 74 -4.958 28.272 72.303 573 HA HIS 74 HA HIS 74 -6.486 25.786 72.628 574 HD1 HIS 74 HD1 HIS 74 -9.919 25.751 71.427 575 HD2 HIS 74 HD2 HIS 74 -8.296 27.964 74.545 576 HE1 HIS 74 HE1 HIS 74 -11.497 25.446 73.360 577 HB2 HIS 74 HB2 HIS 74 -7.487 28.413 71.747 578 HB3 HIS 74 HB3 HIS 74 -7.938 27.065 70.707 579 H GLY 75 H GLY 75 -5.245 28.110 70.224 580 HA2 GLY 75 HA2 GLY 75 -3.619 27.495 68.585 581 HA3 GLY 75 HA3 GLY 75 -4.167 25.830 68.714 582 H THR 76 H THR 76 -7.014 26.970 68.658 583 HA THR 76 HA THR 76 -7.275 26.820 65.772 584 HB THR 76 HB THR 76 -9.252 25.893 66.206 585 HG1 THR 76 HG1 THR 76 -10.814 27.170 67.545 586 HG21 THR 76 HG21 THR 76 -9.689 25.058 68.341 587 HG22 THR 76 HG22 THR 76 -9.017 26.478 69.139 588 HG23 THR 76 HG23 THR 76 -7.944 25.317 68.358 589 HA PRO 77 HA PRO 77 -9.296 31.139 66.626 590 HB2 PRO 77 HB2 PRO 77 -8.810 32.255 69.052 591 HB3 PRO 77 HB3 PRO 77 -10.203 31.214 68.736 592 HG2 PRO 77 HG2 PRO 77 -7.588 30.538 70.026 593 HG3 PRO 77 HG3 PRO 77 -9.228 30.059 70.501 594 HD2 PRO 77 HD2 PRO 77 -7.565 28.409 69.145 595 HD3 PRO 77 HD3 PRO 77 -9.327 28.374 68.932 596 HA PRO 78 HA PRO 78 -4.862 32.883 67.730 597 HB2 PRO 78 HB2 PRO 78 -2.925 30.982 67.693 598 HB3 PRO 78 HB3 PRO 78 -3.785 31.449 69.166 599 HG2 PRO 78 HG2 PRO 78 -4.242 29.098 67.369 600 HG3 PRO 78 HG3 PRO 78 -4.232 29.166 69.141 601 HD2 PRO 78 HD2 PRO 78 -6.522 29.136 67.697 602 HD3 PRO 78 HD3 PRO 78 -6.382 29.990 69.246 603 H THR 79 H THR 79 -5.183 33.722 65.649 604 HA THR 79 HA THR 79 -3.360 32.729 63.660 605 HB THR 79 HB THR 79 -6.173 32.981 62.670 606 HG1 THR 79 HG1 THR 79 -6.204 31.407 64.371 607 HG21 THR 79 HG21 THR 79 -5.112 32.527 60.763 608 HG22 THR 79 HG22 THR 79 -4.755 30.922 61.399 609 HG23 THR 79 HG23 THR 79 -3.599 32.235 61.620 610 H ALA 80 H ALA 80 -3.282 34.161 61.741 611 HA ALA 80 HA ALA 80 -2.961 36.806 62.363 612 HB1 ALA 80 HB1 ALA 80 -2.212 35.598 60.273 613 HB2 ALA 80 HB2 ALA 80 -3.826 35.898 59.629 614 HB3 ALA 80 HB3 ALA 80 -2.779 37.253 60.049 615 H SER 81 H SER 81 -5.914 35.139 61.669 616 HA SER 81 HA SER 81 -7.482 37.420 60.999 617 HG SER 81 HG SER 81 -9.762 35.603 59.927 618 HB2 SER 81 HB2 SER 81 -7.942 34.850 60.641 619 HB3 SER 81 HB3 SER 81 -8.698 34.976 62.229 620 H ASP 82 H ASP 82 -6.960 35.594 63.992 621 HA ASP 82 HA ASP 82 -8.643 37.396 65.511 622 HB2 ASP 82 HB2 ASP 82 -6.896 35.084 66.383 623 HB3 ASP 82 HB3 ASP 82 -7.971 35.988 67.446 624 H VAL 83 H VAL 83 -5.193 36.508 65.480 625 HA VAL 83 HA VAL 83 -4.212 38.165 67.418 626 HB VAL 83 HB VAL 83 -2.890 37.679 64.745 627 HG11 VAL 83 HG11 VAL 83 -0.982 37.757 66.769 628 HG12 VAL 83 HG12 VAL 83 -1.287 38.997 65.550 629 HG13 VAL 83 HG13 VAL 83 -2.073 39.096 67.126 630 HG21 VAL 83 HG21 VAL 83 -3.721 35.767 66.521 631 HG22 VAL 83 HG22 VAL 83 -2.403 35.583 65.363 632 HG23 VAL 83 HG23 VAL 83 -2.056 36.055 67.028 633 H VAL 84 H VAL 84 -5.528 39.064 64.350 634 HA VAL 84 HA VAL 84 -4.364 41.536 63.891 635 HB VAL 84 HB VAL 84 -5.983 40.359 62.376 636 HG11 VAL 84 HG11 VAL 84 -8.291 40.458 62.698 637 HG12 VAL 84 HG12 VAL 84 -7.664 40.069 64.301 638 HG13 VAL 84 HG13 VAL 84 -8.160 41.719 63.924 639 HG21 VAL 84 HG21 VAL 84 -7.268 42.775 62.076 640 HG22 VAL 84 HG22 VAL 84 -5.782 43.211 62.920 641 HG23 VAL 84 HG23 VAL 84 -5.703 42.344 61.387 642 H GLY 85 H GLY 85 -6.915 40.641 66.140 643 HA2 GLY 85 HA2 GLY 85 -6.684 43.322 67.336 644 HA3 GLY 85 HA3 GLY 85 -8.273 42.655 66.994 645 H MET 86 H MET 86 -6.400 40.087 67.789 646 HA MET 86 HA MET 86 -7.686 39.625 70.245 647 HB2 MET 86 HB2 MET 86 -6.505 37.982 68.587 648 HB3 MET 86 HB3 MET 86 -5.079 38.314 69.560 649 HG2 MET 86 HG2 MET 86 -5.824 37.115 71.305 650 HG3 MET 86 HG3 MET 86 -7.497 37.619 71.075 651 HE1 MET 86 HE1 MET 86 -5.244 34.812 71.208 652 HE2 MET 86 HE2 MET 86 -5.587 33.733 69.856 653 HE3 MET 86 HE3 MET 86 -4.660 35.209 69.591 654 HA PRO 87 HA PRO 87 -3.433 40.893 72.222 655 HB2 PRO 87 HB2 PRO 87 -1.826 42.446 70.683 656 HB3 PRO 87 HB3 PRO 87 -1.728 40.682 70.697 657 HG2 PRO 87 HG2 PRO 87 -3.087 42.487 68.733 658 HG3 PRO 87 HG3 PRO 87 -2.095 41.049 68.431 659 HD2 PRO 87 HD2 PRO 87 -4.802 40.994 68.360 660 HD3 PRO 87 HD3 PRO 87 -3.831 39.602 68.884 661 H GLN 88 H GLN 88 -2.449 43.115 72.850 662 HA GLN 88 HA GLN 88 -4.661 44.954 73.117 663 HB2 GLN 88 HB2 GLN 88 -3.189 46.174 74.646 664 HB3 GLN 88 HB3 GLN 88 -3.244 44.463 75.049 665 HG2 GLN 88 HG2 GLN 88 -1.105 44.400 73.499 666 HG3 GLN 88 HG3 GLN 88 -1.013 46.093 73.977 667 HE21 GLN 88 HE21 GLN 88 -1.323 42.825 75.281 668 HE22 GLN 88 HE22 GLN 88 -0.464 43.137 76.747 669 H TRP 89 H TRP 89 -1.617 44.781 71.402 670 HA TRP 89 HA TRP 89 -1.066 47.343 70.706 671 HD1 TRP 89 HD1 TRP 89 -1.262 43.171 68.323 672 HE1 TRP 89 HE1 TRP 89 -2.276 43.156 65.958 673 HE3 TRP 89 HE3 TRP 89 -1.159 48.192 67.365 674 HZ2 TRP 89 HZ2 TRP 89 -2.942 45.025 63.951 675 HZ3 TRP 89 HZ3 TRP 89 -2.002 48.996 65.198 676 HH2 TRP 89 HH2 TRP 89 -2.874 47.444 63.527 677 HB2 TRP 89 HB2 TRP 89 0.240 46.467 69.067 678 HB3 TRP 89 HB3 TRP 89 -0.183 44.941 69.840 679 H GLN 90 H GLN 90 -3.698 45.361 69.472 680 HA GLN 90 HA GLN 90 -4.506 47.040 67.367 681 HB2 GLN 90 HB2 GLN 90 -5.350 44.813 67.430 682 HB3 GLN 90 HB3 GLN 90 -6.012 45.038 69.045 683 HG2 GLN 90 HG2 GLN 90 -7.121 46.973 67.242 684 HG3 GLN 90 HG3 GLN 90 -7.323 45.345 66.596 685 HE21 GLN 90 HE21 GLN 90 -9.599 45.736 66.918 686 HE22 GLN 90 HE22 GLN 90 -10.296 45.482 68.479 687 H GLU 91 H GLU 91 -5.371 46.974 70.791 688 HA GLU 91 HA GLU 91 -7.257 49.143 70.499 689 HB2 GLU 91 HB2 GLU 91 -7.092 47.121 72.276 690 HB3 GLU 91 HB3 GLU 91 -6.283 48.386 73.192 691 HG2 GLU 91 HG2 GLU 91 -8.211 49.806 73.040 692 HG3 GLU 91 HG3 GLU 91 -9.016 48.665 71.966 693 H TYR 92 H TYR 92 -4.137 48.685 72.156 694 HA TYR 92 HA TYR 92 -3.759 51.224 73.141 695 HD1 TYR 92 HD1 TYR 92 -3.907 48.558 74.140 696 HD2 TYR 92 HD2 TYR 92 -0.177 50.539 74.660 697 HE1 TYR 92 HE1 TYR 92 -3.902 47.911 76.512 698 HE2 TYR 92 HE2 TYR 92 -0.161 49.895 77.034 699 HH TYR 92 HH TYR 92 -1.664 47.619 78.334 700 HB2 TYR 92 HB2 TYR 92 -1.880 49.100 72.188 701 HB3 TYR 92 HB3 TYR 92 -1.235 50.681 72.613 702 H THR 93 H THR 93 -2.627 50.018 69.982 703 HA THR 93 HA THR 93 -1.470 52.245 68.940 704 HB THR 93 HB THR 93 -1.543 50.171 67.687 705 HG1 THR 93 HG1 THR 93 -1.814 51.100 65.681 706 HG21 THR 93 HG21 THR 93 -4.169 50.030 68.335 707 HG22 THR 93 HG22 THR 93 -3.417 49.079 67.054 708 HG23 THR 93 HG23 THR 93 -4.275 50.568 66.658 709 H ALA 94 H ALA 94 -4.909 51.644 69.320 710 HA ALA 94 HA ALA 94 -5.758 53.906 67.795 711 HB1 ALA 94 HB1 ALA 94 -7.559 52.583 67.885 712 HB2 ALA 94 HB2 ALA 94 -7.019 51.789 69.363 713 HB3 ALA 94 HB3 ALA 94 -7.859 53.337 69.450 714 H MET 95 H MET 95 -5.114 53.291 71.204 715 HA MET 95 HA MET 95 -6.216 55.605 72.300 716 HB2 MET 95 HB2 MET 95 -5.488 53.831 73.740 717 HB3 MET 95 HB3 MET 95 -3.833 53.961 73.157 718 HG2 MET 95 HG2 MET 95 -3.625 56.153 74.184 719 HG3 MET 95 HG3 MET 95 -5.297 56.063 74.736 720 HE1 MET 95 HE1 MET 95 -6.162 54.031 75.942 721 HE2 MET 95 HE2 MET 95 -5.322 53.271 77.294 722 HE3 MET 95 HE3 MET 95 -5.787 54.971 77.388 723 H LEU 96 H LEU 96 -3.390 55.173 70.378 724 HA LEU 96 HA LEU 96 -2.035 57.554 71.190 725 HG LEU 96 HG LEU 96 -1.658 54.369 70.119 726 HB2 LEU 96 HB2 LEU 96 -1.668 56.242 68.524 727 HB3 LEU 96 HB3 LEU 96 -0.481 57.081 69.520 728 HD11 LEU 96 HD11 LEU 96 1.198 54.850 69.419 729 HD12 LEU 96 HD12 LEU 96 0.001 54.733 68.131 730 HD13 LEU 96 HD13 LEU 96 0.225 53.389 69.250 731 HD21 LEU 96 HD21 LEU 96 0.739 54.849 71.517 732 HD22 LEU 96 HD22 LEU 96 -0.886 54.666 72.177 733 HD23 LEU 96 HD23 LEU 96 -0.282 56.269 71.754 734 H ARG 97 H ARG 97 -3.655 56.721 68.118 735 HA ARG 97 HA ARG 97 -3.713 59.376 67.164 736 HE ARG 97 HE ARG 97 -6.271 55.756 64.079 737 HB2 ARG 97 HB2 ARG 97 -5.473 58.452 65.576 738 HB3 ARG 97 HB3 ARG 97 -3.902 57.663 65.550 739 HG2 ARG 97 HG2 ARG 97 -5.354 56.245 67.443 740 HG3 ARG 97 HG3 ARG 97 -6.505 56.572 66.144 741 HD2 ARG 97 HD2 ARG 97 -3.839 55.702 65.264 742 HD3 ARG 97 HD3 ARG 97 -4.756 54.498 66.168 743 HH11 ARG 97 HH11 ARG 97 -4.029 53.203 64.840 744 HH12 ARG 97 HH12 ARG 97 -4.498 52.215 63.495 745 HH21 ARG 97 HH21 ARG 97 -6.895 54.465 62.305 746 HH22 ARG 97 HH22 ARG 97 -6.126 52.934 62.054 747 H GLU 98 H GLU 98 -5.991 57.459 69.035 748 HA GLU 98 HA GLU 98 -8.149 59.307 68.857 749 HB2 GLU 98 HB2 GLU 98 -8.452 56.913 69.407 750 HB3 GLU 98 HB3 GLU 98 -7.631 57.176 70.938 751 HG2 GLU 98 HG2 GLU 98 -9.403 58.258 71.868 752 HG3 GLU 98 HG3 GLU 98 -9.986 58.868 70.321 753 H ARG 99 H ARG 99 -5.880 58.540 71.499 754 HA ARG 99 HA ARG 99 -6.633 61.034 72.829 755 HE ARG 99 HE ARG 99 -6.572 60.127 77.648 756 HB2 ARG 99 HB2 ARG 99 -6.457 58.741 74.006 757 HB3 ARG 99 HB3 ARG 99 -4.717 58.988 73.917 758 HG2 ARG 99 HG2 ARG 99 -5.193 59.806 76.005 759 HG3 ARG 99 HG3 ARG 99 -5.263 61.277 75.031 760 HD2 ARG 99 HD2 ARG 99 -7.500 61.501 75.287 761 HD3 ARG 99 HD3 ARG 99 -7.782 59.761 75.283 762 HH11 ARG 99 HH11 ARG 99 -9.230 61.767 76.111 763 HH12 ARG 99 HH12 ARG 99 -10.011 62.176 77.602 764 HH21 ARG 99 HH21 ARG 99 -7.590 60.660 79.619 765 HH22 ARG 99 HH22 ARG 99 -9.077 61.546 79.598 766 H PHE 100 H PHE 100 -4.888 60.762 70.377 767 HA PHE 100 HA PHE 100 -2.215 61.203 70.874 768 HD1 PHE 100 HD1 PHE 100 -5.660 62.660 68.757 769 HD2 PHE 100 HD2 PHE 100 -1.697 64.139 68.281 770 HE1 PHE 100 HE1 PHE 100 -6.560 64.809 67.967 771 HE2 PHE 100 HE2 PHE 100 -2.591 66.290 67.490 772 HZ PHE 100 HZ PHE 100 -5.026 66.628 67.333 773 HB2 PHE 100 HB2 PHE 100 -2.060 61.848 68.686 774 HB3 PHE 100 HB3 PHE 100 -3.678 61.154 68.637 775 H ALA 101 H ALA 101 -4.909 63.409 71.232 776 HA ALA 101 HA ALA 101 -3.638 65.853 71.371 777 HB1 ALA 101 HB1 ALA 101 -6.055 65.625 71.446 778 HB2 ALA 101 HB2 ALA 101 -5.954 64.891 73.047 779 HB3 ALA 101 HB3 ALA 101 -5.484 66.576 72.818 780 H GLY 102 H GLY 102 -3.425 63.193 73.551 781 HA2 GLY 102 HA2 GLY 102 -2.448 64.785 75.770 782 HA3 GLY 102 HA3 GLY 102 -2.583 63.034 75.720 783 H LEU 103 H LEU 103 -1.068 62.255 73.669 784 HA LEU 103 HA LEU 103 1.589 62.730 74.643 785 HG LEU 103 HG LEU 103 -0.615 61.328 72.063 786 HB2 LEU 103 HB2 LEU 103 2.253 61.139 72.869 787 HB3 LEU 103 HB3 LEU 103 1.011 60.518 73.954 788 HD11 LEU 103 HD11 LEU 103 1.961 60.912 70.551 789 HD12 LEU 103 HD12 LEU 103 1.089 62.435 70.720 790 HD13 LEU 103 HD13 LEU 103 0.359 61.096 69.835 791 HD21 LEU 103 HD21 LEU 103 -0.179 58.992 72.865 792 HD22 LEU 103 HD22 LEU 103 1.068 58.868 71.623 793 HD23 LEU 103 HD23 LEU 103 -0.616 59.125 71.161 794 H ASP 104 H ASP 104 -0.219 64.689 72.922 795 HA ASP 104 HA ASP 104 0.733 65.395 70.542 796 HB2 ASP 104 HB2 ASP 104 -0.240 66.902 72.838 797 HB3 ASP 104 HB3 ASP 104 0.859 67.849 71.837 798 H THR 105 H THR 105 2.467 66.009 73.573 799 HA THR 105 HA THR 105 4.583 67.492 72.900 800 HB THR 105 HB THR 105 6.015 66.139 74.399 801 HG1 THR 105 HG1 THR 105 3.917 64.298 74.021 802 HG21 THR 105 HG21 THR 105 4.009 66.011 76.253 803 HG22 THR 105 HG22 THR 105 3.347 67.146 75.078 804 HG23 THR 105 HG23 THR 105 4.906 67.470 75.835 805 H ILE 106 H ILE 106 4.386 64.006 72.199 806 HA ILE 106 HA ILE 106 6.710 64.251 70.436 807 HB ILE 106 HB ILE 106 5.232 61.767 71.318 808 HG12 ILE 106 HG12 ILE 106 7.972 62.095 72.243 809 HG13 ILE 106 HG13 ILE 106 6.929 63.399 72.805 810 HG21 ILE 106 HG21 ILE 106 7.327 62.260 69.351 811 HG22 ILE 106 HG22 ILE 106 7.751 61.023 70.532 812 HG23 ILE 106 HG23 ILE 106 6.284 60.856 69.569 813 HD11 ILE 106 HD11 ILE 106 5.739 62.042 74.159 814 HD12 ILE 106 HD12 ILE 106 5.888 60.651 73.086 815 HD13 ILE 106 HD13 ILE 106 7.237 61.111 74.126 Start of MODEL 3 1 H LYS 1 H LYS 1 46.208 54.152 49.668 2 HA LYS 1 HA LYS 1 44.998 52.279 51.549 3 HB2 LYS 1 HB2 LYS 1 46.380 53.403 53.239 4 HB3 LYS 1 HB3 LYS 1 47.349 52.851 51.878 5 HG2 LYS 1 HG2 LYS 1 46.857 55.333 51.045 6 HG3 LYS 1 HG3 LYS 1 46.736 55.598 52.786 7 HD2 LYS 1 HD2 LYS 1 48.996 55.998 52.224 8 HD3 LYS 1 HD3 LYS 1 48.963 54.405 52.983 9 HE2 LYS 1 HE2 LYS 1 48.555 53.853 50.311 10 HE3 LYS 1 HE3 LYS 1 49.723 55.174 50.280 11 HZ1 LYS 1 HZ1 LYS 1 50.163 52.917 52.109 12 HZ2 LYS 1 HZ2 LYS 1 51.292 53.935 51.368 13 HZ3 LYS 1 HZ3 LYS 1 50.525 52.726 50.468 14 H GLN 2 H GLN 2 43.263 52.726 52.758 15 HA GLN 2 HA GLN 2 42.375 55.519 52.968 16 HB2 GLN 2 HB2 GLN 2 40.087 54.898 52.548 17 HB3 GLN 2 HB3 GLN 2 41.077 54.327 51.210 18 HG2 GLN 2 HG2 GLN 2 41.023 52.212 53.020 19 HG3 GLN 2 HG3 GLN 2 39.379 52.850 53.003 20 HE21 GLN 2 HE21 GLN 2 38.695 53.449 50.638 21 HE22 GLN 2 HE22 GLN 2 38.948 52.187 49.485 22 H GLN 3 H GLN 3 40.609 55.732 54.676 23 HA GLN 3 HA GLN 3 41.085 53.863 56.898 24 HB2 GLN 3 HB2 GLN 3 41.647 56.725 56.765 25 HB3 GLN 3 HB3 GLN 3 40.623 56.296 58.129 26 HG2 GLN 3 HG2 GLN 3 43.128 56.321 58.518 27 HG3 GLN 3 HG3 GLN 3 42.242 54.896 59.058 28 HE21 GLN 3 HE21 GLN 3 42.997 52.991 58.463 29 HE22 GLN 3 HE22 GLN 3 44.123 52.701 57.186 30 H LEU 4 H LEU 4 39.379 53.675 58.421 31 HA LEU 4 HA LEU 4 36.809 54.829 57.583 32 HG LEU 4 HG LEU 4 37.816 52.649 55.923 33 HB2 LEU 4 HB2 LEU 4 37.291 51.955 58.358 34 HB3 LEU 4 HB3 LEU 4 35.712 52.680 58.059 35 HD11 LEU 4 HD11 LEU 4 37.414 50.504 55.311 36 HD12 LEU 4 HD12 LEU 4 35.776 50.506 55.962 37 HD13 LEU 4 HD13 LEU 4 37.155 50.327 57.046 38 HD21 LEU 4 HD21 LEU 4 35.537 52.390 54.632 39 HD22 LEU 4 HD22 LEU 4 36.095 53.967 55.189 40 HD23 LEU 4 HD23 LEU 4 34.878 53.087 56.113 41 H GLN 5 H GLN 5 35.394 55.341 59.218 42 HA GLN 5 HA GLN 5 36.118 54.641 61.962 43 HB2 GLN 5 HB2 GLN 5 35.720 57.471 60.979 44 HB3 GLN 5 HB3 GLN 5 35.796 57.009 62.675 45 HG2 GLN 5 HG2 GLN 5 37.999 57.140 62.639 46 HG3 GLN 5 HG3 GLN 5 38.074 55.946 61.344 47 HE21 GLN 5 HE21 GLN 5 39.920 57.119 60.589 48 HE22 GLN 5 HE22 GLN 5 39.710 58.548 59.642 49 H GLU 6 H GLU 6 34.376 55.367 63.520 50 HA GLU 6 HA GLU 6 31.804 54.640 62.381 51 HB2 GLU 6 HB2 GLU 6 32.765 55.005 65.217 52 HB3 GLU 6 HB3 GLU 6 31.088 54.665 64.813 53 HG2 GLU 6 HG2 GLU 6 32.539 52.736 63.442 54 HG3 GLU 6 HG3 GLU 6 33.341 52.875 65.006 55 H HIS 7 H HIS 7 30.342 56.085 61.782 56 HA HIS 7 HA HIS 7 30.708 58.879 62.295 57 HD1 HIS 7 HD1 HIS 7 29.014 59.929 58.795 58 HD2 HIS 7 HD2 HIS 7 31.534 56.812 59.890 59 HE1 HIS 7 HE1 HIS 7 30.694 59.735 56.933 60 HB2 HIS 7 HB2 HIS 7 28.530 57.319 60.904 61 HB3 HIS 7 HB3 HIS 7 28.499 59.072 61.062 62 H ALA 8 H ALA 8 28.057 56.615 63.063 63 HA ALA 8 HA ALA 8 27.469 58.270 65.430 64 HB1 ALA 8 HB1 ALA 8 25.281 56.712 64.164 65 HB2 ALA 8 HB2 ALA 8 25.224 58.243 65.036 66 HB3 ALA 8 HB3 ALA 8 25.807 58.197 63.372 67 HA PRO 9 HA PRO 9 28.085 54.581 67.761 68 HB2 PRO 9 HB2 PRO 9 26.771 55.307 70.023 69 HB3 PRO 9 HB3 PRO 9 28.351 55.961 69.579 70 HG2 PRO 9 HG2 PRO 9 25.635 57.169 69.226 71 HG3 PRO 9 HG3 PRO 9 27.137 57.935 69.776 72 HD2 PRO 9 HD2 PRO 9 26.213 58.190 67.243 73 HD3 PRO 9 HD3 PRO 9 27.945 58.178 67.631 74 H SER 10 H SER 10 24.797 55.949 68.034 75 HA SER 10 HA SER 10 23.641 53.427 67.207 76 HG SER 10 HG SER 10 23.921 52.280 70.340 77 HB2 SER 10 HB2 SER 10 23.620 54.353 70.023 78 HB3 SER 10 HB3 SER 10 22.085 53.761 69.389 79 H HIS 11 H HIS 11 21.136 53.635 67.337 80 HA HIS 11 HA HIS 11 20.402 56.374 66.534 81 HD1 HIS 11 HD1 HIS 11 18.969 55.549 62.681 82 HD2 HIS 11 HD2 HIS 11 22.527 55.417 64.821 83 HE1 HIS 11 HE1 HIS 11 20.742 56.354 61.089 84 HB2 HIS 11 HB2 HIS 11 19.722 53.722 65.310 85 HB3 HIS 11 HB3 HIS 11 18.616 55.081 65.127 86 H ALA 12 H ALA 12 18.606 57.252 67.413 87 HA ALA 12 HA ALA 12 17.483 56.065 69.733 88 HB1 ALA 12 HB1 ALA 12 16.649 58.492 68.153 89 HB2 ALA 12 HB2 ALA 12 15.960 58.027 69.708 90 HB3 ALA 12 HB3 ALA 12 17.667 58.454 69.592 91 H ASN 13 H ASN 13 16.431 56.341 66.390 92 HA ASN 13 HA ASN 13 13.755 55.605 66.692 93 HB2 ASN 13 HB2 ASN 13 15.493 54.831 64.348 94 HB3 ASN 13 HB3 ASN 13 13.757 55.126 64.350 95 HD21 ASN 13 HD21 ASN 13 13.056 57.094 63.866 96 HD22 ASN 13 HD22 ASN 13 14.044 58.504 63.732 97 H LEU 14 H LEU 14 16.534 53.530 65.861 98 HA LEU 14 HA LEU 14 14.939 51.170 66.514 99 HG LEU 14 HG LEU 14 18.222 52.441 65.646 100 HB2 LEU 14 HB2 LEU 14 16.850 49.915 65.567 101 HB3 LEU 14 HB3 LEU 14 16.109 51.045 64.436 102 HD11 LEU 14 HD11 LEU 14 19.486 50.044 64.482 103 HD12 LEU 14 HD12 LEU 14 18.821 49.865 66.105 104 HD13 LEU 14 HD13 LEU 14 20.033 51.103 65.782 105 HD21 LEU 14 HD21 LEU 14 17.208 52.320 63.234 106 HD22 LEU 14 HD22 LEU 14 18.495 51.143 62.976 107 HD23 LEU 14 HD23 LEU 14 18.893 52.787 63.476 108 H ASP 15 H ASP 15 16.541 53.255 68.294 109 HA ASP 15 HA ASP 15 18.564 52.256 69.718 110 HB2 ASP 15 HB2 ASP 15 16.804 54.242 70.188 111 HB3 ASP 15 HB3 ASP 15 16.301 53.105 71.434 112 H VAL 16 H VAL 16 15.184 51.373 70.444 113 HA VAL 16 HA VAL 16 16.023 49.213 72.162 114 HB VAL 16 HB VAL 16 13.652 48.752 72.457 115 HG11 VAL 16 HG11 VAL 16 14.071 50.363 73.979 116 HG12 VAL 16 HG12 VAL 16 14.767 51.459 72.783 117 HG13 VAL 16 HG13 VAL 16 13.016 51.325 72.944 118 HG21 VAL 16 HG21 VAL 16 12.011 50.317 71.303 119 HG22 VAL 16 HG22 VAL 16 13.326 50.696 70.190 120 HG23 VAL 16 HG23 VAL 16 12.724 49.043 70.314 121 H LYS 17 H LYS 17 15.054 47.003 71.841 122 HA LYS 17 HA LYS 17 15.713 46.095 69.165 123 HB2 LYS 17 HB2 LYS 17 14.879 44.444 71.553 124 HB3 LYS 17 HB3 LYS 17 15.673 43.869 70.094 125 HG2 LYS 17 HG2 LYS 17 17.713 44.505 70.794 126 HG3 LYS 17 HG3 LYS 17 17.108 45.971 71.567 127 HD2 LYS 17 HD2 LYS 17 16.369 44.737 73.480 128 HD3 LYS 17 HD3 LYS 17 16.709 43.199 72.683 129 HE2 LYS 17 HE2 LYS 17 19.074 44.790 72.655 130 HE3 LYS 17 HE3 LYS 17 18.430 44.768 74.297 131 HZ1 LYS 17 HZ1 LYS 17 19.372 42.786 74.504 132 HZ2 LYS 17 HZ2 LYS 17 19.747 42.701 72.856 133 HZ3 LYS 17 HZ3 LYS 17 18.236 42.177 73.407 134 H TRP 18 H TRP 18 14.263 44.095 68.466 135 HA TRP 18 HA TRP 18 11.843 45.112 67.562 136 HD1 TRP 18 HD1 TRP 18 13.905 44.974 65.963 137 HE1 TRP 18 HE1 TRP 18 16.004 43.996 64.841 138 HE3 TRP 18 HE3 TRP 18 13.289 40.061 67.232 139 HZ2 TRP 18 HZ2 TRP 18 17.236 41.475 64.535 140 HZ3 TRP 18 HZ3 TRP 18 14.972 38.430 66.485 141 HH2 TRP 18 HH2 TRP 18 16.904 39.124 65.163 142 HB2 TRP 18 HB2 TRP 18 12.193 42.161 67.971 143 HB3 TRP 18 HB3 TRP 18 11.448 43.017 66.624 144 H LEU 19 H LEU 19 9.645 44.316 68.030 145 HA LEU 19 HA LEU 19 8.780 44.860 70.559 146 HG LEU 19 HG LEU 19 5.693 44.803 68.615 147 HB2 LEU 19 HB2 LEU 19 7.670 43.533 68.214 148 HB3 LEU 19 HB3 LEU 19 6.957 42.971 69.725 149 HD11 LEU 19 HD11 LEU 19 6.851 45.462 71.320 150 HD12 LEU 19 HD12 LEU 19 5.479 44.398 71.008 151 HD13 LEU 19 HD13 LEU 19 5.360 46.120 70.643 152 HD21 LEU 19 HD21 LEU 19 6.534 46.950 68.366 153 HD22 LEU 19 HD22 LEU 19 7.899 45.940 67.890 154 HD23 LEU 19 HD23 LEU 19 7.860 46.671 69.495 155 H ASP 20 H ASP 20 9.980 41.807 69.330 156 HA ASP 20 HA ASP 20 9.635 40.636 72.011 157 HB2 ASP 20 HB2 ASP 20 9.392 39.499 69.279 158 HB3 ASP 20 HB3 ASP 20 10.122 38.465 70.504 159 H GLY 21 H GLY 21 11.403 40.096 73.134 160 HA2 GLY 21 HA2 GLY 21 13.603 39.160 73.302 161 HA3 GLY 21 HA3 GLY 21 13.946 39.772 71.690 162 H LEU 22 H LEU 22 12.438 41.599 74.295 163 HA LEU 22 HA LEU 22 14.788 43.373 74.294 164 HG LEU 22 HG LEU 22 14.368 45.267 73.345 165 HB2 LEU 22 HB2 LEU 22 12.063 43.922 73.879 166 HB3 LEU 22 HB3 LEU 22 12.461 44.571 75.468 167 HD11 LEU 22 HD11 LEU 22 12.188 45.298 72.137 168 HD12 LEU 22 HD12 LEU 22 12.978 46.871 72.249 169 HD13 LEU 22 HD13 LEU 22 11.616 46.491 73.305 170 HD21 LEU 22 HD21 LEU 22 14.794 46.468 75.224 171 HD22 LEU 22 HD22 LEU 22 13.109 46.468 75.741 172 HD23 LEU 22 HD23 LEU 22 13.641 47.569 74.471 173 H ARG 23 H ARG 23 13.743 40.935 76.008 174 HA ARG 23 HA ARG 23 13.458 41.938 78.643 175 HE ARG 23 HE ARG 23 14.968 38.518 74.612 176 HB2 ARG 23 HB2 ARG 23 13.703 39.647 79.363 177 HB3 ARG 23 HB3 ARG 23 12.707 39.686 77.914 178 HG2 ARG 23 HG2 ARG 23 15.525 39.348 77.308 179 HG3 ARG 23 HG3 ARG 23 14.895 38.074 78.353 180 HD2 ARG 23 HD2 ARG 23 13.519 37.251 76.750 181 HD3 ARG 23 HD3 ARG 23 13.210 38.840 76.051 182 HH11 ARG 23 HH11 ARG 23 15.091 36.132 77.144 183 HH12 ARG 23 HH12 ARG 23 16.345 35.205 76.389 184 HH21 ARG 23 HH21 ARG 23 16.619 37.308 73.608 185 HH22 ARG 23 HH22 ARG 23 17.214 35.875 74.378 186 H ALA 24 H ALA 24 16.153 41.599 76.604 187 HA ALA 24 HA ALA 24 18.123 41.247 78.675 188 HB1 ALA 24 HB1 ALA 24 19.015 40.414 76.770 189 HB2 ALA 24 HB2 ALA 24 18.140 41.541 75.735 190 HB3 ALA 24 HB3 ALA 24 19.589 42.071 76.590 191 H GLY 25 H GLY 25 16.947 43.941 76.688 192 HA2 GLY 25 HA2 GLY 25 18.702 45.808 78.077 193 HA3 GLY 25 HA3 GLY 25 17.629 46.184 76.737 194 H SER 26 H SER 26 15.201 45.775 77.385 195 HA SER 26 HA SER 26 13.415 46.531 78.574 196 HG SER 26 HG SER 26 12.458 46.179 81.048 197 HB2 SER 26 HB2 SER 26 14.943 45.038 80.357 198 HB3 SER 26 HB3 SER 26 14.618 46.538 81.226 199 H MET 27 H MET 27 15.156 48.462 77.505 200 HA MET 27 HA MET 27 15.692 50.500 79.445 201 HB2 MET 27 HB2 MET 27 15.763 50.397 76.440 202 HB3 MET 27 HB3 MET 27 15.994 51.911 77.304 203 HG2 MET 27 HG2 MET 27 17.922 51.016 78.441 204 HG3 MET 27 HG3 MET 27 17.659 49.438 77.702 205 HE1 MET 27 HE1 MET 27 18.367 50.177 73.928 206 HE2 MET 27 HE2 MET 27 17.704 49.044 75.105 207 HE3 MET 27 HE3 MET 27 16.792 50.486 74.660 208 H ALA 28 H ALA 28 13.037 49.680 77.346 209 HA ALA 28 HA ALA 28 11.369 51.645 78.668 210 HB1 ALA 28 HB1 ALA 28 10.944 51.854 75.804 211 HB2 ALA 28 HB2 ALA 28 11.125 53.121 77.018 212 HB3 ALA 28 HB3 ALA 28 12.553 52.387 76.289 213 H LEU 29 H LEU 29 9.459 50.746 79.077 214 HA LEU 29 HA LEU 29 8.780 48.199 77.923 215 HG LEU 29 HG LEU 29 5.920 48.021 78.754 216 HB2 LEU 29 HB2 LEU 29 8.395 48.748 80.303 217 HB3 LEU 29 HB3 LEU 29 7.195 49.941 79.807 218 HD11 LEU 29 HD11 LEU 29 6.575 45.883 78.966 219 HD12 LEU 29 HD12 LEU 29 7.228 46.131 80.584 220 HD13 LEU 29 HD13 LEU 29 8.177 46.590 79.170 221 HD21 LEU 29 HD21 LEU 29 4.667 47.972 80.607 222 HD22 LEU 29 HD22 LEU 29 5.866 49.079 81.275 223 HD23 LEU 29 HD23 LEU 29 5.987 47.350 81.598 224 H GLN 30 H GLN 30 7.767 51.524 77.558 225 HA GLN 30 HA GLN 30 5.617 50.716 75.738 226 HB2 GLN 30 HB2 GLN 30 4.775 52.954 75.930 227 HB3 GLN 30 HB3 GLN 30 5.129 52.366 77.549 228 HG2 GLN 30 HG2 GLN 30 7.283 53.591 77.466 229 HG3 GLN 30 HG3 GLN 30 6.793 54.263 75.910 230 HE21 GLN 30 HE21 GLN 30 4.751 55.483 75.896 231 HE22 GLN 30 HE22 GLN 30 4.357 56.437 77.281 232 H GLY 31 H GLY 31 8.797 52.007 75.782 233 HA2 GLY 31 HA2 GLY 31 9.047 53.619 73.620 234 HA3 GLY 31 HA3 GLY 31 10.232 52.381 74.009 235 H ASP 32 H ASP 32 8.254 50.222 73.545 236 HA ASP 32 HA ASP 32 8.873 49.620 70.897 237 HB2 ASP 32 HB2 ASP 32 6.509 48.573 72.465 238 HB3 ASP 32 HB3 ASP 32 7.286 47.796 71.087 239 H VAL 33 H VAL 33 5.697 50.601 72.199 240 HA VAL 33 HA VAL 33 4.705 51.136 69.535 241 HB VAL 33 HB VAL 33 3.421 51.529 72.240 242 HG11 VAL 33 HG11 VAL 33 2.118 52.960 71.078 243 HG12 VAL 33 HG12 VAL 33 2.570 52.274 69.516 244 HG13 VAL 33 HG13 VAL 33 1.358 51.472 70.514 245 HG21 VAL 33 HG21 VAL 33 2.092 49.597 70.670 246 HG22 VAL 33 HG22 VAL 33 3.815 49.229 70.593 247 HG23 VAL 33 HG23 VAL 33 3.006 49.347 72.156 248 H LYS 34 H LYS 34 5.634 52.982 72.399 249 HA LYS 34 HA LYS 34 4.783 55.497 71.841 250 HB2 LYS 34 HB2 LYS 34 6.002 55.171 73.838 251 HB3 LYS 34 HB3 LYS 34 7.406 54.553 72.977 252 HG2 LYS 34 HG2 LYS 34 7.573 56.888 71.949 253 HG3 LYS 34 HG3 LYS 34 6.452 57.383 73.219 254 HD2 LYS 34 HD2 LYS 34 8.362 57.753 74.371 255 HD3 LYS 34 HD3 LYS 34 8.249 56.021 74.689 256 HE2 LYS 34 HE2 LYS 34 9.755 55.543 72.870 257 HE3 LYS 34 HE3 LYS 34 9.775 57.240 72.392 258 HZ1 LYS 34 HZ1 LYS 34 10.649 57.616 74.764 259 HZ2 LYS 34 HZ2 LYS 34 11.713 57.005 73.599 260 HZ3 LYS 34 HZ3 LYS 34 11.021 55.966 74.739 261 H VAL 35 H VAL 35 7.224 53.700 70.136 262 HA VAL 35 HA VAL 35 8.098 56.030 68.626 263 HB VAL 35 HB VAL 35 9.708 54.579 67.576 264 HG11 VAL 35 HG11 VAL 35 9.420 54.662 70.495 265 HG12 VAL 35 HG12 VAL 35 10.518 53.418 69.895 266 HG13 VAL 35 HG13 VAL 35 10.786 55.109 69.475 267 HG21 VAL 35 HG21 VAL 35 9.700 52.275 67.626 268 HG22 VAL 35 HG22 VAL 35 8.745 52.204 69.107 269 HG23 VAL 35 HG23 VAL 35 7.973 52.626 67.578 270 H TRP 36 H TRP 36 5.993 53.286 68.301 271 HA TRP 36 HA TRP 36 5.743 52.897 65.621 272 HD1 TRP 36 HD1 TRP 36 6.575 51.212 66.790 273 HE1 TRP 36 HE1 TRP 36 6.479 48.735 67.480 274 HE3 TRP 36 HE3 TRP 36 1.567 50.829 67.742 275 HZ2 TRP 36 HZ2 TRP 36 4.537 46.865 68.317 276 HZ3 TRP 36 HZ3 TRP 36 0.670 48.661 68.483 277 HH2 TRP 36 HH2 TRP 36 2.126 46.721 68.764 278 HB2 TRP 36 HB2 TRP 36 3.612 53.001 67.752 279 HB3 TRP 36 HB3 TRP 36 3.257 52.527 66.093 280 H MET 37 H MET 37 4.978 55.762 67.366 281 HA MET 37 HA MET 37 3.255 56.876 65.342 282 HB2 MET 37 HB2 MET 37 3.729 57.418 68.019 283 HB3 MET 37 HB3 MET 37 4.447 58.790 67.189 284 HG2 MET 37 HG2 MET 37 2.247 59.428 67.643 285 HG3 MET 37 HG3 MET 37 2.257 58.995 65.935 286 HE1 MET 37 HE1 MET 37 1.887 57.415 69.449 287 HE2 MET 37 HE2 MET 37 0.773 56.077 69.173 288 HE3 MET 37 HE3 MET 37 2.411 56.006 68.525 289 H GLN 38 H GLN 38 6.457 57.817 66.613 290 HA GLN 38 HA GLN 38 7.099 59.727 64.736 291 HB2 GLN 38 HB2 GLN 38 9.306 59.565 65.468 292 HB3 GLN 38 HB3 GLN 38 8.386 58.963 66.840 293 HG2 GLN 38 HG2 GLN 38 8.929 56.712 66.326 294 HG3 GLN 38 HG3 GLN 38 9.611 57.170 64.765 295 HE21 GLN 38 HE21 GLN 38 11.401 58.891 65.007 296 HE22 GLN 38 HE22 GLN 38 12.586 58.556 66.219 297 H ASN 39 H ASN 39 7.227 56.240 64.453 298 HA ASN 39 HA ASN 39 8.817 56.020 62.162 299 HB2 ASN 39 HB2 ASN 39 6.831 54.315 63.548 300 HB3 ASN 39 HB3 ASN 39 7.133 53.928 61.856 301 HD21 ASN 39 HD21 ASN 39 9.326 55.176 64.330 302 HD22 ASN 39 HD22 ASN 39 10.431 53.848 64.271 303 H LEU 40 H LEU 40 5.307 56.409 62.495 304 HA LEU 40 HA LEU 40 4.919 56.492 59.636 305 HG LEU 40 HG LEU 40 3.440 56.101 63.042 306 HB2 LEU 40 HB2 LEU 40 2.711 57.484 61.233 307 HB3 LEU 40 HB3 LEU 40 2.773 56.132 60.104 308 HD11 LEU 40 HD11 LEU 40 1.307 55.538 63.253 309 HD12 LEU 40 HD12 LEU 40 1.638 54.082 62.316 310 HD13 LEU 40 HD13 LEU 40 1.084 55.546 61.504 311 HD21 LEU 40 HD21 LEU 40 4.964 54.553 62.445 312 HD22 LEU 40 HD22 LEU 40 4.235 54.292 60.860 313 HD23 LEU 40 HD23 LEU 40 3.547 53.513 62.285 314 H GLU 41 H GLU 41 5.601 58.726 62.147 315 HA GLU 41 HA GLU 41 4.445 61.055 61.046 316 HB2 GLU 41 HB2 GLU 41 5.583 60.533 63.402 317 HB3 GLU 41 HB3 GLU 41 6.971 61.262 62.605 318 HG2 GLU 41 HG2 GLU 41 4.288 62.601 62.706 319 HG3 GLU 41 HG3 GLU 41 5.498 62.796 63.974 320 H ASP 42 H ASP 42 7.739 59.733 60.841 321 HA ASP 42 HA ASP 42 8.547 61.760 58.949 322 HB2 ASP 42 HB2 ASP 42 9.913 60.226 60.760 323 HB3 ASP 42 HB3 ASP 42 10.276 59.401 59.247 324 H LEU 43 H LEU 43 7.319 58.520 58.873 325 HA LEU 43 HA LEU 43 8.120 58.016 56.148 326 HG LEU 43 HG LEU 43 6.856 54.524 56.556 327 HB2 LEU 43 HB2 LEU 43 7.756 56.295 58.018 328 HB3 LEU 43 HB3 LEU 43 6.037 56.485 57.673 329 HD11 LEU 43 HD11 LEU 43 6.680 56.485 54.319 330 HD12 LEU 43 HD12 LEU 43 5.303 56.282 55.401 331 HD13 LEU 43 HD13 LEU 43 5.924 54.902 54.494 332 HD21 LEU 43 HD21 LEU 43 9.120 56.269 55.938 333 HD22 LEU 43 HD22 LEU 43 8.570 55.296 54.573 334 HD23 LEU 43 HD23 LEU 43 9.043 54.512 56.081 335 H HIS 44 H HIS 44 4.969 58.392 57.782 336 HA HIS 44 HA HIS 44 3.295 58.401 55.624 337 HD1 HIS 44 HD1 HIS 44 1.002 58.285 55.481 338 HD2 HIS 44 HD2 HIS 44 0.721 61.640 57.916 339 HE1 HIS 44 HE1 HIS 44 -1.239 59.303 54.967 340 HB2 HIS 44 HB2 HIS 44 2.592 58.595 58.009 341 HB3 HIS 44 HB3 HIS 44 3.064 60.291 57.974 342 H THR 45 H THR 45 4.990 61.236 56.950 343 HA THR 45 HA THR 45 4.097 63.244 55.366 344 HB THR 45 HB THR 45 5.775 63.652 57.065 345 HG1 THR 45 HG1 THR 45 7.137 65.054 55.805 346 HG21 THR 45 HG21 THR 45 8.234 63.129 56.023 347 HG22 THR 45 HG22 THR 45 7.318 61.731 55.464 348 HG23 THR 45 HG23 THR 45 7.403 62.098 57.186 349 H ARG 46 H ARG 46 5.994 60.526 54.364 350 HA ARG 46 HA ARG 46 6.436 61.727 51.721 351 HE ARG 46 HE ARG 46 11.266 61.903 52.458 352 HB2 ARG 46 HB2 ARG 46 7.768 59.569 53.277 353 HB3 ARG 46 HB3 ARG 46 7.750 59.411 51.526 354 HG2 ARG 46 HG2 ARG 46 8.601 61.903 51.636 355 HG3 ARG 46 HG3 ARG 46 9.137 61.398 53.239 356 HD2 ARG 46 HD2 ARG 46 10.151 59.369 52.010 357 HD3 ARG 46 HD3 ARG 46 9.953 60.344 50.555 358 HH11 ARG 46 HH11 ARG 46 11.825 59.029 50.575 359 HH12 ARG 46 HH12 ARG 46 13.543 59.244 50.516 360 HH21 ARG 46 HH21 ARG 46 13.527 62.197 52.386 361 HH22 ARG 46 HH22 ARG 46 14.510 61.046 51.547 362 H ARG 47 H ARG 47 5.737 58.426 52.877 363 HA ARG 47 HA ARG 47 3.523 58.283 50.956 364 HE ARG 47 HE ARG 47 1.878 56.753 48.767 365 HB2 ARG 47 HB2 ARG 47 5.613 57.258 49.995 366 HB3 ARG 47 HB3 ARG 47 5.557 56.078 51.296 367 HG2 ARG 47 HG2 ARG 47 4.409 54.847 49.824 368 HG3 ARG 47 HG3 ARG 47 3.047 55.865 50.297 369 HD2 ARG 47 HD2 ARG 47 4.677 57.110 48.250 370 HD3 ARG 47 HD3 ARG 47 4.066 55.537 47.739 371 HH11 ARG 47 HH11 ARG 47 4.244 57.683 46.390 372 HH12 ARG 47 HH12 ARG 47 3.140 58.664 45.484 373 HH21 ARG 47 HH21 ARG 47 0.414 58.041 47.583 374 HH22 ARG 47 HH22 ARG 47 0.963 58.868 46.164 375 HA PRO 48 HA PRO 48 1.511 56.695 54.578 376 HB2 PRO 48 HB2 PRO 48 -0.842 56.068 53.375 377 HB3 PRO 48 HB3 PRO 48 -0.381 57.726 53.780 378 HG2 PRO 48 HG2 PRO 48 -0.210 56.301 51.154 379 HG3 PRO 48 HG3 PRO 48 -0.750 57.955 51.496 380 HD2 PRO 48 HD2 PRO 48 1.723 57.399 50.546 381 HD3 PRO 48 HD3 PRO 48 1.403 58.765 51.632 382 H ASP 49 H ASP 49 0.971 54.903 51.535 383 HA ASP 49 HA ASP 49 0.326 52.443 52.541 384 HB2 ASP 49 HB2 ASP 49 0.288 52.922 50.153 385 HB3 ASP 49 HB3 ASP 49 2.045 53.042 50.125 386 H GLU 50 H GLU 50 3.454 53.975 52.480 387 HA GLU 50 HA GLU 50 4.813 51.537 53.304 388 HB2 GLU 50 HB2 GLU 50 5.730 54.311 52.602 389 HB3 GLU 50 HB3 GLU 50 6.809 53.182 53.407 390 HG2 GLU 50 HG2 GLU 50 5.632 51.821 51.227 391 HG3 GLU 50 HG3 GLU 50 6.179 53.392 50.646 392 H PHE 51 H PHE 51 3.572 54.488 54.658 393 HA PHE 51 HA PHE 51 4.938 54.841 56.979 394 HD1 PHE 51 HD1 PHE 51 2.721 54.263 59.405 395 HD2 PHE 51 HD2 PHE 51 0.341 55.165 55.994 396 HE1 PHE 51 HE1 PHE 51 0.756 53.291 60.523 397 HE2 PHE 51 HE2 PHE 51 -1.628 54.196 57.107 398 HZ PHE 51 HZ PHE 51 -1.421 53.256 59.373 399 HB2 PHE 51 HB2 PHE 51 3.223 56.186 57.554 400 HB3 PHE 51 HB3 PHE 51 2.548 55.756 55.985 401 H THR 52 H THR 52 2.382 52.448 56.420 402 HA THR 52 HA THR 52 2.369 51.385 59.036 403 HB THR 52 HB THR 52 0.996 49.663 58.227 404 HG1 THR 52 HG1 THR 52 0.974 49.125 55.953 405 HG21 THR 52 HG21 THR 52 -0.570 51.183 57.763 406 HG22 THR 52 HG22 THR 52 -0.063 51.105 56.076 407 HG23 THR 52 HG23 THR 52 0.635 52.316 57.152 408 H ALA 53 H ALA 53 4.212 50.588 56.139 409 HA ALA 53 HA ALA 53 5.351 48.184 57.047 410 HB1 ALA 53 HB1 ALA 53 7.162 49.630 55.347 411 HB2 ALA 53 HB2 ALA 53 6.227 48.174 55.008 412 HB3 ALA 53 HB3 ALA 53 5.511 49.764 54.745 413 H ARG 54 H ARG 54 6.068 51.502 57.753 414 HA ARG 54 HA ARG 54 8.729 51.201 58.641 415 HE ARG 54 HE ARG 54 11.357 53.357 60.075 416 HB2 ARG 54 HB2 ARG 54 7.457 53.363 58.130 417 HB3 ARG 54 HB3 ARG 54 6.771 53.207 59.742 418 HG2 ARG 54 HG2 ARG 54 8.550 54.601 60.129 419 HG3 ARG 54 HG3 ARG 54 9.261 53.025 60.484 420 HD2 ARG 54 HD2 ARG 54 9.774 53.179 57.851 421 HD3 ARG 54 HD3 ARG 54 9.787 54.894 58.258 422 HH11 ARG 54 HH11 ARG 54 11.356 54.806 56.909 423 HH12 ARG 54 HH12 ARG 54 13.078 54.974 56.843 424 HH21 ARG 54 HH21 ARG 54 13.626 53.572 59.999 425 HH22 ARG 54 HH22 ARG 54 14.369 54.271 58.600 426 H LEU 55 H LEU 55 5.798 51.649 60.630 427 HA LEU 55 HA LEU 55 7.102 50.709 62.992 428 HG LEU 55 HG LEU 55 3.712 49.680 62.652 429 HB2 LEU 55 HB2 LEU 55 5.196 51.289 64.113 430 HB3 LEU 55 HB3 LEU 55 5.079 52.331 62.696 431 HD11 LEU 55 HD11 LEU 55 3.231 50.957 64.840 432 HD12 LEU 55 HD12 LEU 55 1.872 50.381 63.878 433 HD13 LEU 55 HD13 LEU 55 2.343 52.078 63.808 434 HD21 LEU 55 HD21 LEU 55 3.843 51.994 61.021 435 HD22 LEU 55 HD22 LEU 55 2.199 51.865 61.643 436 HD23 LEU 55 HD23 LEU 55 2.915 50.517 60.760 437 H GLN 56 H GLN 56 4.928 49.304 60.612 438 HA GLN 56 HA GLN 56 4.069 47.017 61.822 439 HB2 GLN 56 HB2 GLN 56 3.365 47.489 59.595 440 HB3 GLN 56 HB3 GLN 56 5.017 47.441 58.991 441 HG2 GLN 56 HG2 GLN 56 4.215 45.418 58.283 442 HG3 GLN 56 HG3 GLN 56 4.959 44.977 59.819 443 HE21 GLN 56 HE21 GLN 56 1.845 46.298 58.734 444 HE22 GLN 56 HE22 GLN 56 0.870 45.205 59.649 445 H GLN 57 H GLN 57 7.287 47.684 60.576 446 HA GLN 57 HA GLN 57 8.372 45.126 60.637 447 HB2 GLN 57 HB2 GLN 57 9.385 47.862 60.601 448 HB3 GLN 57 HB3 GLN 57 10.452 46.757 61.458 449 HG2 GLN 57 HG2 GLN 57 9.414 46.288 58.673 450 HG3 GLN 57 HG3 GLN 57 10.972 47.023 59.048 451 HE21 GLN 57 HE21 GLN 57 9.262 44.141 58.606 452 HE22 GLN 57 HE22 GLN 57 10.513 43.040 59.061 453 H SER 58 H SER 58 7.918 47.460 63.236 454 HA SER 58 HA SER 58 9.319 45.859 65.175 455 HG SER 58 HG SER 58 9.752 48.114 67.137 456 HB2 SER 58 HB2 SER 58 8.108 48.512 65.073 457 HB3 SER 58 HB3 SER 58 7.780 47.681 66.595 458 H THR 59 H THR 59 5.923 46.929 64.931 459 HA THR 59 HA THR 59 4.820 45.372 66.898 460 HB THR 59 HB THR 59 3.494 45.913 64.236 461 HG1 THR 59 HG1 THR 59 2.673 47.768 65.642 462 HG21 THR 59 HG21 THR 59 1.423 45.828 65.497 463 HG22 THR 59 HG22 THR 59 2.314 45.553 66.994 464 HG23 THR 59 HG23 THR 59 2.319 44.326 65.726 465 H ASP 60 H ASP 60 6.093 44.350 63.866 466 HA ASP 60 HA ASP 60 4.766 42.058 63.233 467 HB2 ASP 60 HB2 ASP 60 7.347 43.140 62.708 468 HB3 ASP 60 HB3 ASP 60 7.549 41.435 63.104 469 H ALA 61 H ALA 61 7.599 42.109 65.406 470 HA ALA 61 HA ALA 61 7.541 39.515 66.280 471 HB1 ALA 61 HB1 ALA 61 8.163 41.083 68.548 472 HB2 ALA 61 HB2 ALA 61 9.271 40.286 67.432 473 HB3 ALA 61 HB3 ALA 61 8.757 41.947 67.130 474 H LEU 62 H LEU 62 5.540 42.201 67.365 475 HA LEU 62 HA LEU 62 4.386 40.898 69.593 476 HG LEU 62 HG LEU 62 2.637 42.135 70.696 477 HB2 LEU 62 HB2 LEU 62 4.370 43.362 69.124 478 HB3 LEU 62 HB3 LEU 62 3.132 43.056 67.907 479 HD11 LEU 62 HD11 LEU 62 2.215 44.181 71.583 480 HD12 LEU 62 HD12 LEU 62 1.842 44.908 70.020 481 HD13 LEU 62 HD13 LEU 62 3.520 44.633 70.486 482 HD21 LEU 62 HD21 LEU 62 0.443 42.177 70.078 483 HD22 LEU 62 HD22 LEU 62 1.181 41.902 68.499 484 HD23 LEU 62 HD23 LEU 62 0.666 43.524 68.961 485 H TYR 63 H TYR 63 3.658 40.897 66.178 486 HA TYR 63 HA TYR 63 1.054 39.792 66.359 487 HD1 TYR 63 HD1 TYR 63 1.292 37.311 64.085 488 HD2 TYR 63 HD2 TYR 63 4.335 40.078 62.999 489 HE1 TYR 63 HE1 TYR 63 2.378 35.573 62.725 490 HE2 TYR 63 HE2 TYR 63 5.430 38.348 61.636 491 HH TYR 63 HH TYR 63 3.911 35.347 60.909 492 HB2 TYR 63 HB2 TYR 63 1.056 39.997 64.118 493 HB3 TYR 63 HB3 TYR 63 2.605 40.807 64.329 494 H SER 64 H SER 64 4.246 38.340 65.801 495 HA SER 64 HA SER 64 3.259 35.672 65.654 496 HG SER 64 HG SER 64 5.949 34.569 64.526 497 HB2 SER 64 HB2 SER 64 5.482 36.600 64.738 498 HB3 SER 64 HB3 SER 64 6.090 36.408 66.381 499 H HIS 65 H HIS 65 4.605 37.671 68.224 500 HA HIS 65 HA HIS 65 4.990 35.744 70.186 501 HD1 HIS 65 HD1 HIS 65 2.769 38.288 72.690 502 HD2 HIS 65 HD2 HIS 65 6.658 36.833 72.831 503 HE1 HIS 65 HE1 HIS 65 3.226 37.828 75.119 504 HB2 HIS 65 HB2 HIS 65 5.749 38.041 70.464 505 HB3 HIS 65 HB3 HIS 65 4.084 38.612 70.502 506 H LEU 66 H LEU 66 2.051 37.514 69.317 507 HA LEU 66 HA LEU 66 0.478 36.297 71.386 508 HG LEU 66 HG LEU 66 -2.099 36.547 70.709 509 HB2 LEU 66 HB2 LEU 66 0.051 38.552 70.375 510 HB3 LEU 66 HB3 LEU 66 -0.490 37.723 68.916 511 HD11 LEU 66 HD11 LEU 66 -2.325 37.612 72.642 512 HD12 LEU 66 HD12 LEU 66 -2.521 39.163 71.826 513 HD13 LEU 66 HD13 LEU 66 -0.906 38.570 72.219 514 HD21 LEU 66 HD21 LEU 66 -2.303 38.828 68.886 515 HD22 LEU 66 HD22 LEU 66 -3.549 38.783 70.135 516 HD23 LEU 66 HD23 LEU 66 -3.337 37.408 69.053 517 H GLU 67 H GLU 67 0.360 36.076 67.824 518 HA GLU 67 HA GLU 67 -1.460 34.017 67.603 519 HB2 GLU 67 HB2 GLU 67 -0.210 35.452 65.791 520 HB3 GLU 67 HB3 GLU 67 0.899 34.088 65.764 521 HG2 GLU 67 HG2 GLU 67 -1.127 32.623 65.373 522 HG3 GLU 67 HG3 GLU 67 -2.024 34.113 65.086 523 H ALA 68 H ALA 68 1.966 33.865 68.339 524 HA ALA 68 HA ALA 68 2.053 30.978 68.172 525 HB1 ALA 68 HB1 ALA 68 3.968 32.648 67.679 526 HB2 ALA 68 HB2 ALA 68 4.194 32.649 69.428 527 HB3 ALA 68 HB3 ALA 68 4.339 31.144 68.522 528 H GLN 69 H GLN 69 2.637 33.326 70.800 529 HA GLN 69 HA GLN 69 2.554 31.388 72.855 530 HB2 GLN 69 HB2 GLN 69 3.583 33.710 72.960 531 HB3 GLN 69 HB3 GLN 69 1.951 34.325 73.186 532 HG2 GLN 69 HG2 GLN 69 3.233 34.037 75.288 533 HG3 GLN 69 HG3 GLN 69 1.711 33.149 75.243 534 HE21 GLN 69 HE21 GLN 69 1.734 30.920 75.178 535 HE22 GLN 69 HE22 GLN 69 3.158 29.993 75.491 536 H TRP 70 H TRP 70 0.168 33.896 71.986 537 HA TRP 70 HA TRP 70 -1.852 33.104 73.712 538 HD1 TRP 70 HD1 TRP 70 -5.087 33.579 71.554 539 HE1 TRP 70 HE1 TRP 70 -6.768 34.703 73.146 540 HE3 TRP 70 HE3 TRP 70 -1.828 36.348 74.355 541 HZ2 TRP 70 HZ2 TRP 70 -6.720 36.523 75.302 542 HZ3 TRP 70 HZ3 TRP 70 -2.726 37.754 76.163 543 HH2 TRP 70 HH2 TRP 70 -5.122 37.839 76.624 544 HB2 TRP 70 HB2 TRP 70 -1.654 35.155 72.083 545 HB3 TRP 70 HB3 TRP 70 -2.539 34.111 70.975 546 H ALA 71 H ALA 71 -0.771 31.649 70.769 547 HA ALA 71 HA ALA 71 -3.110 30.174 70.144 548 HB1 ALA 71 HB1 ALA 71 -1.238 28.667 69.013 549 HB2 ALA 71 HB2 ALA 71 -1.734 30.219 68.337 550 HB3 ALA 71 HB3 ALA 71 -0.266 30.108 69.309 551 H LYS 72 H LYS 72 -0.490 29.682 72.378 552 HA LYS 72 HA LYS 72 -0.488 26.979 72.812 553 HB2 LYS 72 HB2 LYS 72 0.663 29.087 74.051 554 HB3 LYS 72 HB3 LYS 72 -0.524 28.633 75.266 555 HG2 LYS 72 HG2 LYS 72 1.013 27.196 75.990 556 HG3 LYS 72 HG3 LYS 72 0.581 26.219 74.584 557 HD2 LYS 72 HD2 LYS 72 2.627 28.389 74.336 558 HD3 LYS 72 HD3 LYS 72 3.074 26.822 75.014 559 HE2 LYS 72 HE2 LYS 72 1.517 26.666 72.538 560 HE3 LYS 72 HE3 LYS 72 3.085 27.450 72.357 561 HZ1 LYS 72 HZ1 LYS 72 4.140 25.521 72.592 562 HZ2 LYS 72 HZ2 LYS 72 2.642 24.772 72.355 563 HZ3 LYS 72 HZ3 LYS 72 3.209 25.053 73.924 564 H GLN 73 H GLN 73 -2.875 29.332 73.872 565 HA GLN 73 HA GLN 73 -4.303 27.892 75.731 566 HB2 GLN 73 HB2 GLN 73 -5.010 30.000 73.754 567 HB3 GLN 73 HB3 GLN 73 -6.334 29.144 74.534 568 HG2 GLN 73 HG2 GLN 73 -4.569 29.815 76.589 569 HG3 GLN 73 HG3 GLN 73 -4.656 31.238 75.553 570 HE21 GLN 73 HE21 GLN 73 -5.596 31.337 78.108 571 HE22 GLN 73 HE22 GLN 73 -7.319 31.458 78.098 572 H HIS 74 H HIS 74 -5.178 28.079 72.275 573 HA HIS 74 HA HIS 74 -6.000 25.265 72.398 574 HD1 HIS 74 HD1 HIS 74 -10.027 25.283 71.209 575 HD2 HIS 74 HD2 HIS 74 -7.545 25.520 74.532 576 HE1 HIS 74 HE1 HIS 74 -11.169 23.936 73.000 577 HB2 HIS 74 HB2 HIS 74 -7.735 27.579 72.008 578 HB3 HIS 74 HB3 HIS 74 -7.863 26.411 70.695 579 H GLY 75 H GLY 75 -5.688 28.047 70.182 580 HA2 GLY 75 HA2 GLY 75 -4.090 28.065 68.395 581 HA3 GLY 75 HA3 GLY 75 -4.153 26.308 68.371 582 H THR 76 H THR 76 -7.209 27.725 68.685 583 HA THR 76 HA THR 76 -7.806 27.065 65.894 584 HB THR 76 HB THR 76 -9.689 26.193 66.695 585 HG1 THR 76 HG1 THR 76 -11.163 27.698 66.753 586 HG21 THR 76 HG21 THR 76 -10.111 26.069 69.102 587 HG22 THR 76 HG22 THR 76 -8.913 27.332 69.383 588 HG23 THR 76 HG23 THR 76 -8.410 25.767 68.744 589 HA PRO 77 HA PRO 77 -9.742 31.469 66.329 590 HB2 PRO 77 HB2 PRO 77 -9.230 32.840 68.616 591 HB3 PRO 77 HB3 PRO 77 -10.622 31.766 68.430 592 HG2 PRO 77 HG2 PRO 77 -7.989 31.241 69.753 593 HG3 PRO 77 HG3 PRO 77 -9.620 30.811 70.298 594 HD2 PRO 77 HD2 PRO 77 -7.966 29.029 69.104 595 HD3 PRO 77 HD3 PRO 77 -9.731 28.967 68.919 596 HA PRO 78 HA PRO 78 -5.302 33.335 67.185 597 HB2 PRO 78 HB2 PRO 78 -3.356 31.447 67.323 598 HB3 PRO 78 HB3 PRO 78 -4.199 32.063 68.749 599 HG2 PRO 78 HG2 PRO 78 -4.669 29.534 67.217 600 HG3 PRO 78 HG3 PRO 78 -4.636 29.791 68.972 601 HD2 PRO 78 HD2 PRO 78 -6.945 29.600 67.571 602 HD3 PRO 78 HD3 PRO 78 -6.788 30.615 69.018 603 H THR 79 H THR 79 -4.920 34.141 65.221 604 HA THR 79 HA THR 79 -3.481 32.672 63.257 605 HB THR 79 HB THR 79 -5.659 31.704 62.761 606 HG1 THR 79 HG1 THR 79 -5.125 33.646 60.757 607 HG21 THR 79 HG21 THR 79 -6.933 33.713 63.676 608 HG22 THR 79 HG22 THR 79 -7.583 32.961 62.220 609 HG23 THR 79 HG23 THR 79 -6.666 34.464 62.103 610 H ALA 80 H ALA 80 -3.266 33.993 61.185 611 HA ALA 80 HA ALA 80 -2.247 36.492 61.719 612 HB1 ALA 80 HB1 ALA 80 -1.734 36.561 59.532 613 HB2 ALA 80 HB2 ALA 80 -2.329 34.900 59.530 614 HB3 ALA 80 HB3 ALA 80 -3.389 36.217 59.026 615 H SER 81 H SER 81 -5.547 35.584 61.053 616 HA SER 81 HA SER 81 -6.468 38.261 60.575 617 HG SER 81 HG SER 81 -7.597 35.563 58.989 618 HB2 SER 81 HB2 SER 81 -7.889 35.642 61.061 619 HB3 SER 81 HB3 SER 81 -8.755 37.163 60.849 620 H ASP 82 H ASP 82 -7.120 35.932 63.200 621 HA ASP 82 HA ASP 82 -8.413 37.650 64.936 622 HB2 ASP 82 HB2 ASP 82 -7.052 35.069 65.141 623 HB3 ASP 82 HB3 ASP 82 -6.990 36.000 66.635 624 H VAL 83 H VAL 83 -4.935 36.864 64.886 625 HA VAL 83 HA VAL 83 -4.017 38.392 66.945 626 HB VAL 83 HB VAL 83 -2.669 38.183 64.249 627 HG11 VAL 83 HG11 VAL 83 -0.974 39.306 65.139 628 HG12 VAL 83 HG12 VAL 83 -1.936 39.570 66.595 629 HG13 VAL 83 HG13 VAL 83 -0.884 38.159 66.475 630 HG21 VAL 83 HG21 VAL 83 -3.454 36.083 65.773 631 HG22 VAL 83 HG22 VAL 83 -2.046 36.071 64.711 632 HG23 VAL 83 HG23 VAL 83 -1.849 36.395 66.433 633 H VAL 84 H VAL 84 -5.358 39.505 63.961 634 HA VAL 84 HA VAL 84 -4.281 42.036 63.692 635 HB VAL 84 HB VAL 84 -7.138 41.190 63.190 636 HG11 VAL 84 HG11 VAL 84 -5.867 43.409 61.687 637 HG12 VAL 84 HG12 VAL 84 -7.554 43.168 62.146 638 HG13 VAL 84 HG13 VAL 84 -6.387 43.738 63.340 639 HG21 VAL 84 HG21 VAL 84 -5.146 41.554 61.020 640 HG22 VAL 84 HG22 VAL 84 -5.017 40.107 62.019 641 HG23 VAL 84 HG23 VAL 84 -6.505 40.437 61.133 642 H GLY 85 H GLY 85 -7.441 41.393 65.230 643 HA2 GLY 85 HA2 GLY 85 -6.959 43.757 66.932 644 HA3 GLY 85 HA3 GLY 85 -8.549 43.202 66.428 645 H MET 86 H MET 86 -6.685 40.546 67.146 646 HA MET 86 HA MET 86 -8.206 39.871 69.429 647 HB2 MET 86 HB2 MET 86 -7.420 38.034 68.231 648 HB3 MET 86 HB3 MET 86 -5.796 38.695 68.089 649 HG2 MET 86 HG2 MET 86 -5.135 37.596 69.887 650 HG3 MET 86 HG3 MET 86 -6.432 38.301 70.848 651 HE1 MET 86 HE1 MET 86 -5.304 35.569 68.473 652 HE2 MET 86 HE2 MET 86 -4.981 34.914 70.079 653 HE3 MET 86 HE3 MET 86 -6.181 34.147 69.039 654 HA PRO 87 HA PRO 87 -4.127 40.841 71.870 655 HB2 PRO 87 HB2 PRO 87 -2.304 42.400 70.597 656 HB3 PRO 87 HB3 PRO 87 -2.290 40.634 70.508 657 HG2 PRO 87 HG2 PRO 87 -3.359 42.622 68.541 658 HG3 PRO 87 HG3 PRO 87 -2.410 41.154 68.244 659 HD2 PRO 87 HD2 PRO 87 -5.095 41.245 67.908 660 HD3 PRO 87 HD3 PRO 87 -4.248 39.776 68.432 661 H GLN 88 H GLN 88 -3.100 42.974 72.721 662 HA GLN 88 HA GLN 88 -5.244 44.903 72.898 663 HB2 GLN 88 HB2 GLN 88 -3.929 45.928 74.657 664 HB3 GLN 88 HB3 GLN 88 -3.989 44.188 74.903 665 HG2 GLN 88 HG2 GLN 88 -1.749 44.004 73.883 666 HG3 GLN 88 HG3 GLN 88 -1.693 45.762 73.760 667 HE21 GLN 88 HE21 GLN 88 -0.169 46.321 75.172 668 HE22 GLN 88 HE22 GLN 88 -0.155 45.895 76.847 669 H TRP 89 H TRP 89 -2.008 44.718 71.547 670 HA TRP 89 HA TRP 89 -1.337 47.294 71.041 671 HD1 TRP 89 HD1 TRP 89 -1.373 43.133 68.778 672 HE1 TRP 89 HE1 TRP 89 -2.142 42.977 66.327 673 HE3 TRP 89 HE3 TRP 89 -0.995 48.067 67.495 674 HZ2 TRP 89 HZ2 TRP 89 -2.535 44.716 64.138 675 HZ3 TRP 89 HZ3 TRP 89 -1.585 48.738 65.202 676 HH2 TRP 89 HH2 TRP 89 -2.339 47.095 63.560 677 HB2 TRP 89 HB2 TRP 89 0.102 46.503 69.437 678 HB3 TRP 89 HB3 TRP 89 -0.302 44.986 70.236 679 H GLN 90 H GLN 90 -3.811 45.421 69.382 680 HA GLN 90 HA GLN 90 -4.324 47.196 67.271 681 HB2 GLN 90 HB2 GLN 90 -5.219 44.985 67.164 682 HB3 GLN 90 HB3 GLN 90 -6.085 45.193 68.680 683 HG2 GLN 90 HG2 GLN 90 -6.881 47.201 66.784 684 HG3 GLN 90 HG3 GLN 90 -7.056 45.587 66.095 685 HE21 GLN 90 HE21 GLN 90 -9.209 47.270 66.641 686 HE22 GLN 90 HE22 GLN 90 -10.161 46.560 67.895 687 H GLU 91 H GLU 91 -5.732 46.976 70.519 688 HA GLU 91 HA GLU 91 -7.456 49.244 70.081 689 HB2 GLU 91 HB2 GLU 91 -7.319 47.130 71.941 690 HB3 GLU 91 HB3 GLU 91 -7.098 48.609 72.866 691 HG2 GLU 91 HG2 GLU 91 -9.168 49.503 72.007 692 HG3 GLU 91 HG3 GLU 91 -9.375 48.095 70.967 693 H TYR 92 H TYR 92 -4.652 48.603 72.188 694 HA TYR 92 HA TYR 92 -4.330 51.064 73.337 695 HD1 TYR 92 HD1 TYR 92 -1.975 51.888 74.738 696 HD2 TYR 92 HD2 TYR 92 -3.117 47.791 74.876 697 HE1 TYR 92 HE1 TYR 92 -1.870 51.946 77.195 698 HE2 TYR 92 HE2 TYR 92 -3.017 47.840 77.333 699 HH TYR 92 HH TYR 92 -2.832 49.158 79.143 700 HB2 TYR 92 HB2 TYR 92 -2.638 48.768 72.815 701 HB3 TYR 92 HB3 TYR 92 -1.718 50.266 72.743 702 H THR 93 H THR 93 -2.686 50.019 70.347 703 HA THR 93 HA THR 93 -1.431 52.318 69.621 704 HB THR 93 HB THR 93 -1.312 50.212 68.329 705 HG1 THR 93 HG1 THR 93 -2.124 52.216 66.516 706 HG21 THR 93 HG21 THR 93 -3.004 49.423 66.972 707 HG22 THR 93 HG22 THR 93 -3.775 51.003 66.836 708 HG23 THR 93 HG23 THR 93 -3.931 50.071 68.326 709 H ALA 94 H ALA 94 -4.839 51.753 69.686 710 HA ALA 94 HA ALA 94 -5.502 54.007 68.005 711 HB1 ALA 94 HB1 ALA 94 -6.861 51.727 68.952 712 HB2 ALA 94 HB2 ALA 94 -7.726 53.134 69.568 713 HB3 ALA 94 HB3 ALA 94 -7.448 52.958 67.835 714 H MET 95 H MET 95 -5.624 53.233 71.467 715 HA MET 95 HA MET 95 -6.810 55.582 72.376 716 HB2 MET 95 HB2 MET 95 -5.644 53.305 73.529 717 HB3 MET 95 HB3 MET 95 -4.770 54.672 74.208 718 HG2 MET 95 HG2 MET 95 -6.798 55.644 75.024 719 HG3 MET 95 HG3 MET 95 -7.767 54.430 74.192 720 HE1 MET 95 HE1 MET 95 -8.203 54.297 77.894 721 HE2 MET 95 HE2 MET 95 -8.892 54.588 76.297 722 HE3 MET 95 HE3 MET 95 -8.908 52.962 76.980 723 H LEU 96 H LEU 96 -3.640 55.021 71.150 724 HA LEU 96 HA LEU 96 -2.308 57.201 72.376 725 HG LEU 96 HG LEU 96 -1.968 54.123 71.070 726 HB2 LEU 96 HB2 LEU 96 -1.605 56.117 69.673 727 HB3 LEU 96 HB3 LEU 96 -0.537 56.775 70.911 728 HD11 LEU 96 HD11 LEU 96 0.121 53.093 70.618 729 HD12 LEU 96 HD12 LEU 96 0.970 54.637 70.675 730 HD13 LEU 96 HD13 LEU 96 -0.146 54.293 69.354 731 HD21 LEU 96 HD21 LEU 96 0.054 54.063 72.883 732 HD22 LEU 96 HD22 LEU 96 -1.626 54.442 73.265 733 HD23 LEU 96 HD23 LEU 96 -0.466 55.744 72.999 734 H ARG 97 H ARG 97 -3.557 56.835 69.052 735 HA ARG 97 HA ARG 97 -3.259 59.622 68.482 736 HE ARG 97 HE ARG 97 -4.941 56.840 64.351 737 HB2 ARG 97 HB2 ARG 97 -4.492 59.062 66.388 738 HB3 ARG 97 HB3 ARG 97 -3.081 58.050 66.670 739 HG2 ARG 97 HG2 ARG 97 -5.182 56.679 67.871 740 HG3 ARG 97 HG3 ARG 97 -5.849 57.308 66.362 741 HD2 ARG 97 HD2 ARG 97 -3.167 56.007 66.331 742 HD3 ARG 97 HD3 ARG 97 -4.605 54.994 66.437 743 HH11 ARG 97 HH11 ARG 97 -3.049 54.034 65.168 744 HH12 ARG 97 HH12 ARG 97 -2.848 53.530 63.522 745 HH21 ARG 97 HH21 ARG 97 -4.683 56.185 62.180 746 HH22 ARG 97 HH22 ARG 97 -3.776 54.754 61.824 747 H GLU 98 H GLU 98 -5.820 57.586 69.683 748 HA GLU 98 HA GLU 98 -7.923 59.478 69.229 749 HB2 GLU 98 HB2 GLU 98 -8.522 57.164 69.349 750 HB3 GLU 98 HB3 GLU 98 -7.743 56.982 70.914 751 HG2 GLU 98 HG2 GLU 98 -9.925 57.106 71.552 752 HG3 GLU 98 HG3 GLU 98 -9.475 58.807 71.642 753 H ARG 99 H ARG 99 -6.257 58.335 72.167 754 HA ARG 99 HA ARG 99 -7.360 60.543 73.695 755 HE ARG 99 HE ARG 99 -7.649 60.580 78.132 756 HB2 ARG 99 HB2 ARG 99 -7.061 58.147 74.553 757 HB3 ARG 99 HB3 ARG 99 -5.348 58.528 74.674 758 HG2 ARG 99 HG2 ARG 99 -5.770 59.283 76.715 759 HG3 ARG 99 HG3 ARG 99 -6.603 60.639 75.954 760 HD2 ARG 99 HD2 ARG 99 -8.681 59.247 75.943 761 HD3 ARG 99 HD3 ARG 99 -7.811 58.044 76.893 762 HH11 ARG 99 HH11 ARG 99 -9.861 57.958 77.542 763 HH12 ARG 99 HH12 ARG 99 -10.807 58.264 78.962 764 HH21 ARG 99 HH21 ARG 99 -8.885 60.993 80.004 765 HH22 ARG 99 HH22 ARG 99 -10.251 59.991 80.361 766 H PHE 100 H PHE 100 -4.136 59.341 72.786 767 HA PHE 100 HA PHE 100 -2.083 60.343 72.817 768 HD1 PHE 100 HD1 PHE 100 -5.465 61.642 70.846 769 HD2 PHE 100 HD2 PHE 100 -2.936 64.500 72.732 770 HE1 PHE 100 HE1 PHE 100 -7.332 63.243 70.916 771 HE2 PHE 100 HE2 PHE 100 -4.799 66.106 72.805 772 HZ PHE 100 HZ PHE 100 -7.001 65.478 71.897 773 HB2 PHE 100 HB2 PHE 100 -2.017 62.548 71.697 774 HB3 PHE 100 HB3 PHE 100 -3.037 61.397 70.841 775 H ALA 101 H ALA 101 -3.544 60.441 75.319 776 HA ALA 101 HA ALA 101 -2.738 63.022 76.449 777 HB1 ALA 101 HB1 ALA 101 -3.929 61.926 78.519 778 HB2 ALA 101 HB2 ALA 101 -4.866 62.638 77.205 779 HB3 ALA 101 HB3 ALA 101 -4.642 60.890 77.282 780 H GLY 102 H GLY 102 -2.078 59.577 76.645 781 HA2 GLY 102 HA2 GLY 102 -0.290 59.862 78.899 782 HA3 GLY 102 HA3 GLY 102 -0.586 58.395 77.977 783 H LEU 103 H LEU 103 0.015 59.503 75.404 784 HA LEU 103 HA LEU 103 2.861 59.203 75.461 785 HG LEU 103 HG LEU 103 -0.147 60.195 73.608 786 HB2 LEU 103 HB2 LEU 103 2.698 59.528 73.016 787 HB3 LEU 103 HB3 LEU 103 1.639 58.261 73.632 788 HD11 LEU 103 HD11 LEU 103 1.261 61.110 71.187 789 HD12 LEU 103 HD12 LEU 103 1.924 61.665 72.724 790 HD13 LEU 103 HD13 LEU 103 0.241 62.000 72.318 791 HD21 LEU 103 HD21 LEU 103 -0.147 59.558 70.932 792 HD22 LEU 103 HD22 LEU 103 -0.882 58.608 72.223 793 HD23 LEU 103 HD23 LEU 103 0.744 58.222 71.661 794 H ASP 104 H ASP 104 1.115 61.734 76.357 795 HA ASP 104 HA ASP 104 1.672 64.011 75.089 796 HB2 ASP 104 HB2 ASP 104 1.681 63.301 77.971 797 HB3 ASP 104 HB3 ASP 104 2.375 64.862 77.543 798 H THR 105 H THR 105 4.055 62.076 76.816 799 HA THR 105 HA THR 105 6.222 63.781 76.840 800 HB THR 105 HB THR 105 7.584 61.579 76.458 801 HG1 THR 105 HG1 THR 105 6.025 60.238 75.644 802 HG21 THR 105 HG21 THR 105 7.477 61.138 78.745 803 HG22 THR 105 HG22 THR 105 5.764 61.545 78.842 804 HG23 THR 105 HG23 THR 105 6.964 62.821 78.639 805 H ILE 106 H ILE 106 5.255 61.555 74.237 806 HA ILE 106 HA ILE 106 7.200 62.832 72.456 807 HB ILE 106 HB ILE 106 5.512 60.385 71.930 808 HG12 ILE 106 HG12 ILE 106 6.995 59.913 73.778 809 HG13 ILE 106 HG13 ILE 106 7.634 59.132 72.335 810 HG21 ILE 106 HG21 ILE 106 7.086 59.981 70.106 811 HG22 ILE 106 HG22 ILE 106 6.268 61.531 69.915 812 HG23 ILE 106 HG23 ILE 106 7.931 61.479 70.500 813 HD11 ILE 106 HD11 ILE 106 8.833 61.641 72.383 814 HD12 ILE 106 HD12 ILE 106 8.849 61.087 74.057 815 HD13 ILE 106 HD13 ILE 106 9.572 60.093 72.792 Start of MODEL 4 1 H LYS 1 H LYS 1 7.435 76.423 65.432 2 HA LYS 1 HA LYS 1 9.951 77.426 64.272 3 HB2 LYS 1 HB2 LYS 1 9.145 77.244 67.181 4 HB3 LYS 1 HB3 LYS 1 10.711 77.790 66.597 5 HG2 LYS 1 HG2 LYS 1 8.170 79.141 65.758 6 HG3 LYS 1 HG3 LYS 1 8.995 79.559 67.262 7 HD2 LYS 1 HD2 LYS 1 10.784 80.492 66.179 8 HD3 LYS 1 HD3 LYS 1 10.599 79.461 64.758 9 HE2 LYS 1 HE2 LYS 1 10.030 81.724 64.169 10 HE3 LYS 1 HE3 LYS 1 8.567 80.741 64.153 11 HZ1 LYS 1 HZ1 LYS 1 8.435 83.001 65.264 12 HZ2 LYS 1 HZ2 LYS 1 9.344 82.330 66.522 13 HZ3 LYS 1 HZ3 LYS 1 7.828 81.687 66.139 14 H GLN 2 H GLN 2 11.591 76.038 64.034 15 HA GLN 2 HA GLN 2 11.276 73.346 65.178 16 HB2 GLN 2 HB2 GLN 2 12.595 74.334 62.663 17 HB3 GLN 2 HB3 GLN 2 12.988 72.759 63.339 18 HG2 GLN 2 HG2 GLN 2 11.071 71.842 62.646 19 HG3 GLN 2 HG3 GLN 2 10.121 73.268 63.064 20 HE21 GLN 2 HE21 GLN 2 8.980 72.957 61.093 21 HE22 GLN 2 HE22 GLN 2 9.662 73.475 59.592 22 H GLN 3 H GLN 3 12.411 73.200 67.008 23 HA GLN 3 HA GLN 3 14.854 74.680 67.404 24 HB2 GLN 3 HB2 GLN 3 13.520 72.599 69.145 25 HB3 GLN 3 HB3 GLN 3 14.873 73.616 69.625 26 HG2 GLN 3 HG2 GLN 3 12.247 74.761 68.736 27 HG3 GLN 3 HG3 GLN 3 12.565 74.307 70.409 28 HE21 GLN 3 HE21 GLN 3 12.776 76.151 71.475 29 HE22 GLN 3 HE22 GLN 3 13.821 77.454 71.034 30 H LEU 4 H LEU 4 14.063 71.202 67.569 31 HA LEU 4 HA LEU 4 15.312 69.341 67.182 32 HG LEU 4 HG LEU 4 14.574 68.877 65.091 33 HB2 LEU 4 HB2 LEU 4 16.300 71.279 65.140 34 HB3 LEU 4 HB3 LEU 4 17.113 69.725 65.318 35 HD11 LEU 4 HD11 LEU 4 14.513 71.635 64.282 36 HD12 LEU 4 HD12 LEU 4 13.191 70.478 64.424 37 HD13 LEU 4 HD13 LEU 4 14.115 70.580 62.926 38 HD21 LEU 4 HD21 LEU 4 16.488 68.126 63.771 39 HD22 LEU 4 HD22 LEU 4 16.397 69.593 62.797 40 HD23 LEU 4 HD23 LEU 4 15.081 68.421 62.749 41 H GLN 5 H GLN 5 16.108 70.835 69.392 42 HA GLN 5 HA GLN 5 19.036 70.509 69.346 43 HB2 GLN 5 HB2 GLN 5 17.369 72.321 71.101 44 HB3 GLN 5 HB3 GLN 5 19.116 72.142 71.193 45 HG2 GLN 5 HG2 GLN 5 19.469 73.254 69.199 46 HG3 GLN 5 HG3 GLN 5 17.824 72.968 68.633 47 HE21 GLN 5 HE21 GLN 5 19.799 75.320 69.541 48 HE22 GLN 5 HE22 GLN 5 18.683 76.431 70.254 49 H GLU 6 H GLU 6 16.085 69.479 70.727 50 HA GLU 6 HA GLU 6 17.271 68.395 73.133 51 HB2 GLU 6 HB2 GLU 6 14.506 68.247 71.939 52 HB3 GLU 6 HB3 GLU 6 14.956 67.358 73.388 53 HG2 GLU 6 HG2 GLU 6 14.200 69.175 74.447 54 HG3 GLU 6 HG3 GLU 6 15.786 69.837 74.055 55 H HIS 7 H HIS 7 17.604 67.525 70.070 56 HA HIS 7 HA HIS 7 16.968 64.738 70.133 57 HD1 HIS 7 HD1 HIS 7 15.583 66.260 67.187 58 HD2 HIS 7 HD2 HIS 7 17.804 62.763 67.497 59 HE1 HIS 7 HE1 HIS 7 14.301 64.533 65.887 60 HB2 HIS 7 HB2 HIS 7 17.875 66.626 68.197 61 HB3 HIS 7 HB3 HIS 7 18.993 65.265 68.198 62 H ALA 8 H ALA 8 18.189 63.035 70.723 63 HA ALA 8 HA ALA 8 20.950 63.579 71.602 64 HB1 ALA 8 HB1 ALA 8 20.689 62.266 73.498 65 HB2 ALA 8 HB2 ALA 8 19.154 63.129 73.398 66 HB3 ALA 8 HB3 ALA 8 19.260 61.452 72.859 67 HA PRO 9 HA PRO 9 21.899 60.489 68.542 68 HB2 PRO 9 HB2 PRO 9 24.573 60.438 69.009 69 HB3 PRO 9 HB3 PRO 9 23.781 61.730 68.099 70 HG2 PRO 9 HG2 PRO 9 24.643 61.686 70.966 71 HG3 PRO 9 HG3 PRO 9 24.812 62.982 69.766 72 HD2 PRO 9 HD2 PRO 9 22.864 62.982 71.648 73 HD3 PRO 9 HD3 PRO 9 22.632 63.683 70.033 74 H SER 10 H SER 10 22.930 60.350 71.909 75 HA SER 10 HA SER 10 24.023 57.860 72.124 76 HG SER 10 HG SER 10 24.493 58.164 74.993 77 HB2 SER 10 HB2 SER 10 22.461 59.598 73.931 78 HB3 SER 10 HB3 SER 10 22.509 57.895 74.384 79 H HIS 11 H HIS 11 20.542 58.526 72.558 80 HA HIS 11 HA HIS 11 20.005 55.796 71.584 81 HD1 HIS 11 HD1 HIS 11 19.883 53.986 74.356 82 HD2 HIS 11 HD2 HIS 11 20.391 57.994 75.328 83 HE1 HIS 11 HE1 HIS 11 21.450 54.008 76.323 84 HB2 HIS 11 HB2 HIS 11 18.276 57.237 73.592 85 HB3 HIS 11 HB3 HIS 11 18.250 55.529 73.160 86 H ALA 12 H ALA 12 18.543 55.593 69.989 87 HA ALA 12 HA ALA 12 16.785 57.860 69.376 88 HB1 ALA 12 HB1 ALA 12 18.022 56.495 67.058 89 HB2 ALA 12 HB2 ALA 12 17.526 58.177 67.255 90 HB3 ALA 12 HB3 ALA 12 19.035 57.612 67.972 91 H ASN 13 H ASN 13 15.095 57.249 67.744 92 HA ASN 13 HA ASN 13 13.771 54.889 68.591 93 HB2 ASN 13 HB2 ASN 13 13.048 56.379 66.082 94 HB3 ASN 13 HB3 ASN 13 11.986 55.569 67.230 95 HD21 ASN 13 HD21 ASN 13 12.539 56.541 69.594 96 HD22 ASN 13 HD22 ASN 13 12.353 58.257 69.655 97 H LEU 14 H LEU 14 15.467 55.773 65.606 98 HA LEU 14 HA LEU 14 14.928 53.509 64.096 99 HG LEU 14 HG LEU 14 17.796 55.379 65.301 100 HB2 LEU 14 HB2 LEU 14 17.086 54.001 62.948 101 HB3 LEU 14 HB3 LEU 14 15.986 55.371 63.076 102 HD11 LEU 14 HD11 LEU 14 19.084 55.270 62.578 103 HD12 LEU 14 HD12 LEU 14 19.307 54.115 63.890 104 HD13 LEU 14 HD13 LEU 14 19.881 55.772 64.068 105 HD21 LEU 14 HD21 LEU 14 18.441 57.563 63.971 106 HD22 LEU 14 HD22 LEU 14 16.896 57.421 64.811 107 HD23 LEU 14 HD23 LEU 14 16.978 57.165 63.067 108 H ASP 15 H ASP 15 17.218 53.983 66.699 109 HA ASP 15 HA ASP 15 18.974 51.921 66.433 110 HB2 ASP 15 HB2 ASP 15 18.258 53.623 68.482 111 HB3 ASP 15 HB3 ASP 15 17.887 52.034 69.147 112 H VAL 16 H VAL 16 15.746 51.671 67.918 113 HA VAL 16 HA VAL 16 15.827 48.912 68.416 114 HB VAL 16 HB VAL 16 13.439 50.686 67.897 115 HG11 VAL 16 HG11 VAL 16 12.430 48.746 69.411 116 HG12 VAL 16 HG12 VAL 16 12.449 48.653 67.648 117 HG13 VAL 16 HG13 VAL 16 13.682 47.813 68.590 118 HG21 VAL 16 HG21 VAL 16 14.557 49.707 70.518 119 HG22 VAL 16 HG22 VAL 16 14.911 51.289 69.823 120 HG23 VAL 16 HG23 VAL 16 13.257 50.873 70.274 121 H LYS 17 H LYS 17 16.371 47.539 66.818 122 HA LYS 17 HA LYS 17 15.755 47.826 64.101 123 HB2 LYS 17 HB2 LYS 17 16.309 45.391 63.950 124 HB3 LYS 17 HB3 LYS 17 17.530 46.359 64.765 125 HG2 LYS 17 HG2 LYS 17 16.289 45.634 66.927 126 HG3 LYS 17 HG3 LYS 17 15.637 44.352 65.902 127 HD2 LYS 17 HD2 LYS 17 18.508 44.688 65.581 128 HD3 LYS 17 HD3 LYS 17 18.054 44.305 67.243 129 HE2 LYS 17 HE2 LYS 17 17.332 42.226 66.707 130 HE3 LYS 17 HE3 LYS 17 16.737 42.724 65.124 131 HZ1 LYS 17 HZ1 LYS 17 18.582 41.961 64.200 132 HZ2 LYS 17 HZ2 LYS 17 19.102 41.391 65.706 133 HZ3 LYS 17 HZ3 LYS 17 19.546 42.939 65.188 134 H TRP 18 H TRP 18 14.267 45.625 66.484 135 HA TRP 18 HA TRP 18 11.816 45.688 64.849 136 HD1 TRP 18 HD1 TRP 18 12.836 44.567 62.874 137 HE1 TRP 18 HE1 TRP 18 14.655 43.206 61.663 138 HE3 TRP 18 HE3 TRP 18 14.136 41.394 66.667 139 HZ2 TRP 18 HZ2 TRP 18 16.407 41.070 62.239 140 HZ3 TRP 18 HZ3 TRP 18 15.891 39.721 66.254 141 HH2 TRP 18 HH2 TRP 18 17.002 39.563 64.086 142 HB2 TRP 18 HB2 TRP 18 12.698 43.358 66.557 143 HB3 TRP 18 HB3 TRP 18 11.383 43.397 65.384 144 H LEU 19 H LEU 19 9.844 45.021 66.174 145 HA LEU 19 HA LEU 19 9.337 46.869 68.151 146 HG LEU 19 HG LEU 19 7.199 45.593 69.845 147 HB2 LEU 19 HB2 LEU 19 7.686 45.452 66.872 148 HB3 LEU 19 HB3 LEU 19 8.034 44.160 68.017 149 HD11 LEU 19 HD11 LEU 19 7.648 47.773 68.930 150 HD12 LEU 19 HD12 LEU 19 5.919 47.622 69.248 151 HD13 LEU 19 HD13 LEU 19 6.526 47.486 67.598 152 HD21 LEU 19 HD21 LEU 19 4.997 45.609 67.863 153 HD22 LEU 19 HD22 LEU 19 5.039 44.980 69.510 154 HD23 LEU 19 HD23 LEU 19 5.776 44.062 68.197 155 H ASP 20 H ASP 20 10.387 43.505 68.527 156 HA ASP 20 HA ASP 20 11.466 44.164 71.149 157 HB2 ASP 20 HB2 ASP 20 8.990 42.834 70.892 158 HB3 ASP 20 HB3 ASP 20 10.164 41.606 71.358 159 H GLY 21 H GLY 21 13.289 43.040 71.642 160 HA2 GLY 21 HA2 GLY 21 14.503 40.889 71.452 161 HA3 GLY 21 HA3 GLY 21 14.069 40.908 69.749 162 H LEU 22 H LEU 22 15.914 42.660 72.214 163 HA LEU 22 HA LEU 22 17.931 43.252 70.176 164 HG LEU 22 HG LEU 22 17.269 45.128 69.008 165 HB2 LEU 22 HB2 LEU 22 16.475 45.220 71.884 166 HB3 LEU 22 HB3 LEU 22 18.153 45.529 71.442 167 HD11 LEU 22 HD11 LEU 22 15.065 45.146 68.642 168 HD12 LEU 22 HD12 LEU 22 14.780 46.404 69.844 169 HD13 LEU 22 HD13 LEU 22 14.919 44.720 70.348 170 HD21 LEU 22 HD21 LEU 22 17.919 47.323 70.489 171 HD22 LEU 22 HD22 LEU 22 16.284 47.717 69.954 172 HD23 LEU 22 HD23 LEU 22 17.533 47.340 68.767 173 H ARG 23 H ARG 23 19.929 42.813 70.852 174 HA ARG 23 HA ARG 23 20.453 41.603 73.312 175 HE ARG 23 HE ARG 23 25.423 40.314 73.078 176 HB2 ARG 23 HB2 ARG 23 21.826 41.436 71.194 177 HB3 ARG 23 HB3 ARG 23 22.503 43.008 71.600 178 HG2 ARG 23 HG2 ARG 23 22.770 41.422 73.901 179 HG3 ARG 23 HG3 ARG 23 23.256 40.414 72.536 180 HD2 ARG 23 HD2 ARG 23 24.588 42.545 71.818 181 HD3 ARG 23 HD3 ARG 23 24.430 42.977 73.520 182 HH11 ARG 23 HH11 ARG 23 26.266 43.676 73.405 183 HH12 ARG 23 HH12 ARG 23 27.895 43.355 73.899 184 HH21 ARG 23 HH21 ARG 23 27.566 39.878 73.728 185 HH22 ARG 23 HH22 ARG 23 28.634 41.194 74.081 186 H ALA 24 H ALA 24 21.595 44.807 72.225 187 HA ALA 24 HA ALA 24 22.727 45.754 74.499 188 HB1 ALA 24 HB1 ALA 24 22.682 47.028 72.436 189 HB2 ALA 24 HB2 ALA 24 20.951 47.315 72.625 190 HB3 ALA 24 HB3 ALA 24 22.094 48.015 73.773 191 H GLY 25 H GLY 25 19.259 45.659 73.786 192 HA2 GLY 25 HA2 GLY 25 17.726 45.198 75.614 193 HA3 GLY 25 HA3 GLY 25 18.765 46.165 76.652 194 H SER 26 H SER 26 15.832 46.237 75.578 195 HA SER 26 HA SER 26 15.771 48.914 74.441 196 HG SER 26 HG SER 26 13.721 47.994 72.515 197 HB2 SER 26 HB2 SER 26 14.176 46.692 74.087 198 HB3 SER 26 HB3 SER 26 13.193 47.708 75.142 199 H MET 27 H MET 27 14.619 47.223 77.339 200 HA MET 27 HA MET 27 13.892 47.976 79.362 201 HB2 MET 27 HB2 MET 27 15.687 50.345 78.836 202 HB3 MET 27 HB3 MET 27 15.214 49.685 80.396 203 HG2 MET 27 HG2 MET 27 16.753 48.044 80.326 204 HG3 MET 27 HG3 MET 27 16.606 47.831 78.583 205 HE1 MET 27 HE1 MET 27 18.697 49.695 76.814 206 HE2 MET 27 HE2 MET 27 16.972 49.863 77.140 207 HE3 MET 27 HE3 MET 27 18.068 51.202 77.483 208 H ALA 28 H ALA 28 12.120 48.560 77.351 209 HA ALA 28 HA ALA 28 10.899 51.006 78.383 210 HB1 ALA 28 HB1 ALA 28 10.834 52.151 76.444 211 HB2 ALA 28 HB2 ALA 28 12.246 51.170 76.055 212 HB3 ALA 28 HB3 ALA 28 10.653 50.696 75.464 213 H LEU 29 H LEU 29 8.947 50.449 79.068 214 HA LEU 29 HA LEU 29 7.653 48.046 78.215 215 HG LEU 29 HG LEU 29 5.039 48.112 79.319 216 HB2 LEU 29 HB2 LEU 29 7.561 49.257 80.505 217 HB3 LEU 29 HB3 LEU 29 6.296 50.227 79.753 218 HD11 LEU 29 HD11 LEU 29 5.804 46.079 79.879 219 HD12 LEU 29 HD12 LEU 29 6.564 46.658 81.361 220 HD13 LEU 29 HD13 LEU 29 7.388 46.853 79.815 221 HD21 LEU 29 HD21 LEU 29 5.351 49.577 81.710 222 HD22 LEU 29 HD22 LEU 29 5.192 47.880 82.159 223 HD23 LEU 29 HD23 LEU 29 3.949 48.650 81.174 224 H GLN 30 H GLN 30 7.246 51.478 77.558 225 HA GLN 30 HA GLN 30 5.120 50.811 75.632 226 HB2 GLN 30 HB2 GLN 30 4.264 53.023 75.880 227 HB3 GLN 30 HB3 GLN 30 4.530 52.389 77.499 228 HG2 GLN 30 HG2 GLN 30 6.906 53.622 76.976 229 HG3 GLN 30 HG3 GLN 30 5.753 54.666 76.145 230 HE21 GLN 30 HE21 GLN 30 5.632 56.379 77.450 231 HE22 GLN 30 HE22 GLN 30 5.191 56.327 79.120 232 H GLY 31 H GLY 31 8.278 52.141 76.041 233 HA2 GLY 31 HA2 GLY 31 8.692 53.807 73.938 234 HA3 GLY 31 HA3 GLY 31 9.877 52.610 74.441 235 H ASP 32 H ASP 32 7.817 50.479 73.724 236 HA ASP 32 HA ASP 32 8.811 49.917 71.140 237 HB2 ASP 32 HB2 ASP 32 6.861 48.190 71.191 238 HB3 ASP 32 HB3 ASP 32 8.194 48.015 72.330 239 H VAL 33 H VAL 33 5.484 50.710 72.165 240 HA VAL 33 HA VAL 33 4.712 51.261 69.432 241 HB VAL 33 HB VAL 33 3.066 51.778 71.904 242 HG11 VAL 33 HG11 VAL 33 1.938 52.743 70.142 243 HG12 VAL 33 HG12 VAL 33 2.516 51.550 68.978 244 HG13 VAL 33 HG13 VAL 33 1.262 51.115 70.140 245 HG21 VAL 33 HG21 VAL 33 4.042 49.275 70.942 246 HG22 VAL 33 HG22 VAL 33 2.962 49.596 72.300 247 HG23 VAL 33 HG23 VAL 33 2.299 49.346 70.685 248 H LYS 34 H LYS 34 5.442 53.067 72.357 249 HA LYS 34 HA LYS 34 4.474 55.563 71.793 250 HB2 LYS 34 HB2 LYS 34 5.554 55.206 73.878 251 HB3 LYS 34 HB3 LYS 34 7.059 54.730 73.101 252 HG2 LYS 34 HG2 LYS 34 7.102 57.121 72.171 253 HG3 LYS 34 HG3 LYS 34 5.882 57.468 73.399 254 HD2 LYS 34 HD2 LYS 34 7.573 57.805 74.814 255 HD3 LYS 34 HD3 LYS 34 7.840 56.061 74.769 256 HE2 LYS 34 HE2 LYS 34 9.013 57.545 72.526 257 HE3 LYS 34 HE3 LYS 34 9.693 57.939 74.104 258 HZ1 LYS 34 HZ1 LYS 34 10.073 55.553 74.454 259 HZ2 LYS 34 HZ2 LYS 34 10.919 56.144 73.114 260 HZ3 LYS 34 HZ3 LYS 34 9.511 55.235 72.891 261 H VAL 35 H VAL 35 7.214 53.946 70.341 262 HA VAL 35 HA VAL 35 8.014 56.339 68.888 263 HB VAL 35 HB VAL 35 9.902 55.135 68.132 264 HG11 VAL 35 HG11 VAL 35 9.136 54.674 70.967 265 HG12 VAL 35 HG12 VAL 35 10.589 53.881 70.355 266 HG13 VAL 35 HG13 VAL 35 10.448 55.638 70.291 267 HG21 VAL 35 HG21 VAL 35 8.620 52.590 69.122 268 HG22 VAL 35 HG22 VAL 35 8.665 53.107 67.436 269 HG23 VAL 35 HG23 VAL 35 10.166 52.741 68.285 270 H TRP 36 H TRP 36 6.371 53.294 68.348 271 HA TRP 36 HA TRP 36 6.412 52.945 65.662 272 HD1 TRP 36 HD1 TRP 36 4.349 51.609 63.942 273 HE1 TRP 36 HE1 TRP 36 1.953 51.848 63.032 274 HE3 TRP 36 HE3 TRP 36 2.040 53.313 68.174 275 HZ2 TRP 36 HZ2 TRP 36 -0.579 52.652 63.982 276 HZ3 TRP 36 HZ3 TRP 36 -0.372 53.794 68.088 277 HH2 TRP 36 HH2 TRP 36 -1.652 53.471 66.035 278 HB2 TRP 36 HB2 TRP 36 5.103 51.368 66.707 279 HB3 TRP 36 HB3 TRP 36 4.285 52.559 67.715 280 H MET 37 H MET 37 4.816 55.520 67.398 281 HA MET 37 HA MET 37 3.238 56.444 65.208 282 HB2 MET 37 HB2 MET 37 3.331 56.974 67.911 283 HB3 MET 37 HB3 MET 37 3.967 58.454 67.207 284 HG2 MET 37 HG2 MET 37 1.718 58.898 67.314 285 HG3 MET 37 HG3 MET 37 1.899 58.317 65.660 286 HE1 MET 37 HE1 MET 37 1.423 57.106 69.265 287 HE2 MET 37 HE2 MET 37 0.366 55.702 69.122 288 HE3 MET 37 HE3 MET 37 2.050 55.594 68.609 289 H GLN 38 H GLN 38 6.324 57.482 66.631 290 HA GLN 38 HA GLN 38 6.767 59.628 64.853 291 HB2 GLN 38 HB2 GLN 38 8.758 59.908 65.933 292 HB3 GLN 38 HB3 GLN 38 7.949 58.893 67.120 293 HG2 GLN 38 HG2 GLN 38 10.086 57.983 66.898 294 HG3 GLN 38 HG3 GLN 38 9.040 56.922 65.955 295 HE21 GLN 38 HE21 GLN 38 11.117 56.308 64.990 296 HE22 GLN 38 HE22 GLN 38 11.718 57.238 63.666 297 H ASN 39 H ASN 39 7.207 56.212 64.557 298 HA ASN 39 HA ASN 39 9.128 56.209 62.478 299 HB2 ASN 39 HB2 ASN 39 7.416 54.259 63.820 300 HB3 ASN 39 HB3 ASN 39 7.627 53.912 62.106 301 HD21 ASN 39 HD21 ASN 39 8.608 52.486 64.457 302 HD22 ASN 39 HD22 ASN 39 10.326 52.412 64.284 303 H LEU 40 H LEU 40 5.589 56.188 62.489 304 HA LEU 40 HA LEU 40 5.449 56.142 59.604 305 HG LEU 40 HG LEU 40 3.788 55.660 62.879 306 HB2 LEU 40 HB2 LEU 40 3.009 56.911 60.967 307 HB3 LEU 40 HB3 LEU 40 3.324 55.543 59.902 308 HD11 LEU 40 HD11 LEU 40 1.691 54.953 63.012 309 HD12 LEU 40 HD12 LEU 40 2.160 53.505 62.122 310 HD13 LEU 40 HD13 LEU 40 1.549 54.914 61.255 311 HD21 LEU 40 HD21 LEU 40 5.475 54.246 62.317 312 HD22 LEU 40 HD22 LEU 40 4.728 53.783 60.787 313 HD23 LEU 40 HD23 LEU 40 4.142 53.090 62.300 314 H GLU 41 H GLU 41 4.883 58.483 62.200 315 HA GLU 41 HA GLU 41 3.829 60.606 60.859 316 HB2 GLU 41 HB2 GLU 41 4.448 61.896 62.639 317 HB3 GLU 41 HB3 GLU 41 4.720 60.308 63.343 318 HG2 GLU 41 HG2 GLU 41 7.043 60.463 63.072 319 HG3 GLU 41 HG3 GLU 41 6.906 61.822 61.958 320 H ASP 42 H ASP 42 7.107 59.407 60.684 321 HA ASP 42 HA ASP 42 8.068 61.675 59.177 322 HB2 ASP 42 HB2 ASP 42 9.411 60.114 60.778 323 HB3 ASP 42 HB3 ASP 42 9.521 59.057 59.373 324 H LEU 43 H LEU 43 7.830 58.188 58.447 325 HA LEU 43 HA LEU 43 8.170 58.521 55.663 326 HG LEU 43 HG LEU 43 8.547 56.675 54.539 327 HB2 LEU 43 HB2 LEU 43 8.159 56.403 57.380 328 HB3 LEU 43 HB3 LEU 43 6.634 56.175 56.525 329 HD11 LEU 43 HD11 LEU 43 10.280 56.228 56.232 330 HD12 LEU 43 HD12 LEU 43 10.262 55.024 54.943 331 HD13 LEU 43 HD13 LEU 43 9.564 54.641 56.517 332 HD21 LEU 43 HD21 LEU 43 7.164 54.189 55.516 333 HD22 LEU 43 HD22 LEU 43 8.147 54.233 54.053 334 HD23 LEU 43 HD23 LEU 43 6.702 55.237 54.175 335 H HIS 44 H HIS 44 5.243 57.728 57.543 336 HA HIS 44 HA HIS 44 3.346 57.668 55.613 337 HD1 HIS 44 HD1 HIS 44 0.814 59.685 56.064 338 HD2 HIS 44 HD2 HIS 44 0.850 56.130 58.213 339 HE1 HIS 44 HE1 HIS 44 -1.501 58.732 55.824 340 HB2 HIS 44 HB2 HIS 44 3.134 57.551 58.211 341 HB3 HIS 44 HB3 HIS 44 2.790 59.274 58.087 342 H THR 45 H THR 45 4.819 60.569 56.983 343 HA THR 45 HA THR 45 3.225 62.541 55.919 344 HB THR 45 HB THR 45 6.202 62.484 56.375 345 HG1 THR 45 HG1 THR 45 5.500 63.954 58.081 346 HG21 THR 45 HG21 THR 45 6.200 64.921 56.067 347 HG22 THR 45 HG22 THR 45 4.520 64.850 55.537 348 HG23 THR 45 HG23 THR 45 5.781 64.080 54.575 349 H ARG 46 H ARG 46 5.857 60.778 54.340 350 HA ARG 46 HA ARG 46 5.420 62.220 51.850 351 HE ARG 46 HE ARG 46 8.754 61.490 48.379 352 HB2 ARG 46 HB2 ARG 46 7.708 61.474 52.824 353 HB3 ARG 46 HB3 ARG 46 7.287 59.891 52.184 354 HG2 ARG 46 HG2 ARG 46 6.827 61.777 50.130 355 HG3 ARG 46 HG3 ARG 46 8.407 62.126 50.833 356 HD2 ARG 46 HD2 ARG 46 8.911 59.662 50.609 357 HD3 ARG 46 HD3 ARG 46 7.438 59.536 49.648 358 HH11 ARG 46 HH11 ARG 46 9.781 58.358 49.499 359 HH12 ARG 46 HH12 ARG 46 10.968 58.156 48.252 360 HH21 ARG 46 HH21 ARG 46 10.312 61.237 46.732 361 HH22 ARG 46 HH22 ARG 46 11.269 59.795 46.680 362 H ARG 47 H ARG 47 5.707 58.754 52.658 363 HA ARG 47 HA ARG 47 3.523 58.234 50.750 364 HE ARG 47 HE ARG 47 2.872 54.825 48.066 365 HB2 ARG 47 HB2 ARG 47 5.810 57.530 49.954 366 HB3 ARG 47 HB3 ARG 47 5.848 56.385 51.289 367 HG2 ARG 47 HG2 ARG 47 5.079 55.010 49.662 368 HG3 ARG 47 HG3 ARG 47 3.534 55.648 50.226 369 HD2 ARG 47 HD2 ARG 47 3.696 57.395 48.448 370 HD3 ARG 47 HD3 ARG 47 5.128 56.565 47.837 371 HH11 ARG 47 HH11 ARG 47 4.375 57.244 46.062 372 HH12 ARG 47 HH12 ARG 47 3.645 56.672 44.599 373 HH21 ARG 47 HH21 ARG 47 1.905 54.063 46.146 374 HH22 ARG 47 HH22 ARG 47 2.239 54.864 44.647 375 HA PRO 48 HA PRO 48 1.706 56.560 54.481 376 HB2 PRO 48 HB2 PRO 48 -0.699 55.996 53.355 377 HB3 PRO 48 HB3 PRO 48 -0.228 57.627 53.848 378 HG2 PRO 48 HG2 PRO 48 -0.177 56.382 51.125 379 HG3 PRO 48 HG3 PRO 48 -0.710 58.005 51.605 380 HD2 PRO 48 HD2 PRO 48 1.718 57.534 50.500 381 HD3 PRO 48 HD3 PRO 48 1.444 58.822 51.691 382 H ASP 49 H ASP 49 1.013 54.970 51.358 383 HA ASP 49 HA ASP 49 0.461 52.436 52.263 384 HB2 ASP 49 HB2 ASP 49 0.433 53.390 49.857 385 HB3 ASP 49 HB3 ASP 49 2.109 52.853 49.782 386 H GLU 50 H GLU 50 3.557 54.019 51.997 387 HA GLU 50 HA GLU 50 5.009 51.556 52.545 388 HB2 GLU 50 HB2 GLU 50 5.638 54.079 51.347 389 HB3 GLU 50 HB3 GLU 50 6.726 53.809 52.702 390 HG2 GLU 50 HG2 GLU 50 7.949 52.695 51.204 391 HG3 GLU 50 HG3 GLU 50 6.803 51.388 51.499 392 H PHE 51 H PHE 51 3.722 54.271 54.215 393 HA PHE 51 HA PHE 51 5.321 54.634 56.392 394 HD1 PHE 51 HD1 PHE 51 3.509 53.770 59.021 395 HD2 PHE 51 HD2 PHE 51 0.622 54.537 55.990 396 HE1 PHE 51 HE1 PHE 51 1.812 52.572 60.339 397 HE2 PHE 51 HE2 PHE 51 -1.080 53.341 57.302 398 HZ PHE 51 HZ PHE 51 -0.487 52.357 59.481 399 HB2 PHE 51 HB2 PHE 51 3.574 55.793 57.207 400 HB3 PHE 51 HB3 PHE 51 2.743 55.345 55.722 401 H THR 52 H THR 52 2.861 52.093 56.026 402 HA THR 52 HA THR 52 3.277 50.874 58.525 403 HB THR 52 HB THR 52 1.348 50.041 57.678 404 HG1 THR 52 HG1 THR 52 2.030 48.038 57.832 405 HG21 THR 52 HG21 THR 52 1.293 49.362 55.124 406 HG22 THR 52 HG22 THR 52 2.653 50.480 55.035 407 HG23 THR 52 HG23 THR 52 1.089 51.039 55.628 408 H ALA 53 H ALA 53 5.058 50.734 55.565 409 HA ALA 53 HA ALA 53 6.348 48.265 55.845 410 HB1 ALA 53 HB1 ALA 53 7.530 48.878 54.030 411 HB2 ALA 53 HB2 ALA 53 6.372 50.208 53.971 412 HB3 ALA 53 HB3 ALA 53 7.958 50.449 54.708 413 H ARG 54 H ARG 54 6.672 51.160 57.639 414 HA ARG 54 HA ARG 54 9.372 50.768 58.503 415 HE ARG 54 HE ARG 54 11.739 55.021 59.564 416 HB2 ARG 54 HB2 ARG 54 7.929 52.943 58.482 417 HB3 ARG 54 HB3 ARG 54 7.358 52.368 60.042 418 HG2 ARG 54 HG2 ARG 54 9.195 53.077 61.056 419 HG3 ARG 54 HG3 ARG 54 10.230 52.238 59.898 420 HD2 ARG 54 HD2 ARG 54 9.234 54.386 58.467 421 HD3 ARG 54 HD3 ARG 54 9.526 55.051 60.074 422 HH11 ARG 54 HH11 ARG 54 10.171 52.505 57.739 423 HH12 ARG 54 HH12 ARG 54 11.622 52.006 56.933 424 HH21 ARG 54 HH21 ARG 54 13.655 54.374 58.509 425 HH22 ARG 54 HH22 ARG 54 13.603 53.069 57.372 426 H LEU 55 H LEU 55 6.337 50.683 60.380 427 HA LEU 55 HA LEU 55 7.569 49.077 62.427 428 HG LEU 55 HG LEU 55 3.488 50.296 62.736 429 HB2 LEU 55 HB2 LEU 55 5.525 49.280 63.606 430 HB3 LEU 55 HB3 LEU 55 5.853 50.840 62.855 431 HD11 LEU 55 HD11 LEU 55 3.143 50.807 60.469 432 HD12 LEU 55 HD12 LEU 55 4.622 49.987 59.973 433 HD13 LEU 55 HD13 LEU 55 4.714 51.504 60.868 434 HD21 LEU 55 HD21 LEU 55 2.633 48.324 62.064 435 HD22 LEU 55 HD22 LEU 55 4.233 47.716 62.489 436 HD23 LEU 55 HD23 LEU 55 3.854 48.100 60.811 437 H GLN 56 H GLN 56 5.904 48.476 59.515 438 HA GLN 56 HA GLN 56 4.445 46.212 59.881 439 HB2 GLN 56 HB2 GLN 56 4.459 46.884 57.684 440 HB3 GLN 56 HB3 GLN 56 6.194 47.163 57.667 441 HG2 GLN 56 HG2 GLN 56 6.568 44.737 57.637 442 HG3 GLN 56 HG3 GLN 56 4.824 44.485 57.597 443 HE21 GLN 56 HE21 GLN 56 6.365 43.417 55.644 444 HE22 GLN 56 HE22 GLN 56 6.106 44.248 54.153 445 H GLN 57 H GLN 57 7.969 46.433 59.716 446 HA GLN 57 HA GLN 57 8.306 43.582 60.020 447 HB2 GLN 57 HB2 GLN 57 10.242 45.894 59.962 448 HB3 GLN 57 HB3 GLN 57 10.753 44.233 60.241 449 HG2 GLN 57 HG2 GLN 57 9.345 43.865 58.008 450 HG3 GLN 57 HG3 GLN 57 9.821 45.545 57.765 451 HE21 GLN 57 HE21 GLN 57 10.894 44.390 55.907 452 HE22 GLN 57 HE22 GLN 57 12.510 43.837 56.166 453 H SER 58 H SER 58 7.973 46.306 62.075 454 HA SER 58 HA SER 58 9.319 45.150 64.342 455 HG SER 58 HG SER 58 10.209 47.684 64.232 456 HB2 SER 58 HB2 SER 58 7.399 47.488 64.297 457 HB3 SER 58 HB3 SER 58 8.568 47.099 65.559 458 H THR 59 H THR 59 5.917 46.076 63.790 459 HA THR 59 HA THR 59 4.719 44.942 65.943 460 HB THR 59 HB THR 59 3.554 46.190 64.102 461 HG1 THR 59 HG1 THR 59 2.582 44.606 65.799 462 HG21 THR 59 HG21 THR 59 3.242 43.513 62.770 463 HG22 THR 59 HG22 THR 59 4.512 44.642 62.304 464 HG23 THR 59 HG23 THR 59 2.817 45.107 62.148 465 H ASP 60 H ASP 60 6.249 43.278 63.335 466 HA ASP 60 HA ASP 60 5.034 40.812 63.309 467 HB2 ASP 60 HB2 ASP 60 7.392 41.888 62.295 468 HB3 ASP 60 HB3 ASP 60 7.932 40.546 63.300 469 H ALA 61 H ALA 61 7.336 42.086 65.656 470 HA ALA 61 HA ALA 61 7.909 39.764 67.072 471 HB1 ALA 61 HB1 ALA 61 8.603 42.382 67.314 472 HB2 ALA 61 HB2 ALA 61 7.583 42.155 68.736 473 HB3 ALA 61 HB3 ALA 61 8.994 41.125 68.488 474 H LEU 62 H LEU 62 5.434 42.207 67.886 475 HA LEU 62 HA LEU 62 4.242 40.661 69.927 476 HG LEU 62 HG LEU 62 2.442 41.591 70.999 477 HB2 LEU 62 HB2 LEU 62 4.075 43.194 69.413 478 HB3 LEU 62 HB3 LEU 62 2.748 42.723 68.352 479 HD11 LEU 62 HD11 LEU 62 2.436 43.409 72.363 480 HD12 LEU 62 HD12 LEU 62 2.101 44.536 71.048 481 HD13 LEU 62 HD13 LEU 62 3.729 43.897 71.267 482 HD21 LEU 62 HD21 LEU 62 0.817 43.398 69.220 483 HD22 LEU 62 HD22 LEU 62 0.253 42.802 70.781 484 HD23 LEU 62 HD23 LEU 62 0.614 41.665 69.482 485 H TYR 63 H TYR 63 3.483 41.089 66.500 486 HA TYR 63 HA TYR 63 1.063 39.750 66.376 487 HD1 TYR 63 HD1 TYR 63 1.492 42.441 65.319 488 HD2 TYR 63 HD2 TYR 63 0.470 39.270 62.673 489 HE1 TYR 63 HE1 TYR 63 -0.362 43.789 64.430 490 HE2 TYR 63 HE2 TYR 63 -1.387 40.609 61.775 491 HH TYR 63 HH TYR 63 -2.678 43.177 63.240 492 HB2 TYR 63 HB2 TYR 63 3.161 40.505 64.492 493 HB3 TYR 63 HB3 TYR 63 2.324 39.031 64.020 494 H SER 64 H SER 64 4.260 38.341 65.644 495 HA SER 64 HA SER 64 3.303 35.676 65.596 496 HG SER 64 HG SER 64 4.752 35.473 63.726 497 HB2 SER 64 HB2 SER 64 6.083 36.834 65.832 498 HB3 SER 64 HB3 SER 64 5.774 35.100 65.742 499 H HIS 65 H HIS 65 4.451 37.762 68.125 500 HA HIS 65 HA HIS 65 5.135 35.842 70.055 501 HD1 HIS 65 HD1 HIS 65 3.279 39.340 72.517 502 HD2 HIS 65 HD2 HIS 65 5.828 36.070 72.772 503 HE1 HIS 65 HE1 HIS 65 3.357 38.738 74.957 504 HB2 HIS 65 HB2 HIS 65 5.786 38.105 70.430 505 HB3 HIS 65 HB3 HIS 65 4.125 38.675 70.305 506 H LEU 66 H LEU 66 2.086 37.654 69.672 507 HA LEU 66 HA LEU 66 0.718 36.078 71.622 508 HG LEU 66 HG LEU 66 -1.965 36.264 70.725 509 HB2 LEU 66 HB2 LEU 66 0.042 38.352 71.243 510 HB3 LEU 66 HB3 LEU 66 -0.268 38.018 69.540 511 HD11 LEU 66 HD11 LEU 66 -2.328 38.707 72.396 512 HD12 LEU 66 HD12 LEU 66 -1.212 37.448 72.925 513 HD13 LEU 66 HD13 LEU 66 -2.912 37.063 72.660 514 HD21 LEU 66 HD21 LEU 66 -2.106 38.575 69.166 515 HD22 LEU 66 HD22 LEU 66 -3.235 38.838 70.496 516 HD23 LEU 66 HD23 LEU 66 -3.396 37.411 69.471 517 H GLU 67 H GLU 67 0.551 36.279 68.071 518 HA GLU 67 HA GLU 67 -1.380 34.339 67.635 519 HB2 GLU 67 HB2 GLU 67 -0.203 35.920 65.964 520 HB3 GLU 67 HB3 GLU 67 1.000 34.646 65.824 521 HG2 GLU 67 HG2 GLU 67 -1.584 33.488 65.552 522 HG3 GLU 67 HG3 GLU 67 -1.469 34.884 64.482 523 H ALA 68 H ALA 68 2.099 33.975 68.113 524 HA ALA 68 HA ALA 68 1.989 31.106 67.744 525 HB1 ALA 68 HB1 ALA 68 3.945 32.573 67.090 526 HB2 ALA 68 HB2 ALA 68 4.315 32.686 68.811 527 HB3 ALA 68 HB3 ALA 68 4.335 31.116 68.006 528 H GLN 69 H GLN 69 2.993 33.216 70.446 529 HA GLN 69 HA GLN 69 3.128 31.237 72.393 530 HB2 GLN 69 HB2 GLN 69 3.926 33.646 72.544 531 HB3 GLN 69 HB3 GLN 69 2.264 34.077 72.928 532 HG2 GLN 69 HG2 GLN 69 3.359 33.902 74.988 533 HG3 GLN 69 HG3 GLN 69 2.419 32.418 74.831 534 HE21 GLN 69 HE21 GLN 69 3.657 31.161 76.142 535 HE22 GLN 69 HE22 GLN 69 5.284 30.707 75.778 536 H TRP 70 H TRP 70 0.439 33.506 71.803 537 HA TRP 70 HA TRP 70 -1.339 32.360 73.636 538 HD1 TRP 70 HD1 TRP 70 -4.668 32.471 72.128 539 HE1 TRP 70 HE1 TRP 70 -6.303 33.392 73.890 540 HE3 TRP 70 HE3 TRP 70 -1.640 35.976 74.292 541 HZ2 TRP 70 HZ2 TRP 70 -6.309 35.347 75.927 542 HZ3 TRP 70 HZ3 TRP 70 -2.537 37.329 76.142 543 HH2 TRP 70 HH2 TRP 70 -4.823 37.019 76.940 544 HB2 TRP 70 HB2 TRP 70 -1.445 34.600 72.254 545 HB3 TRP 70 HB3 TRP 70 -2.361 33.613 71.118 546 H ALA 71 H ALA 71 -0.367 31.345 70.489 547 HA ALA 71 HA ALA 71 -2.457 29.930 69.476 548 HB1 ALA 71 HB1 ALA 71 0.196 28.575 69.543 549 HB2 ALA 71 HB2 ALA 71 -0.945 28.756 68.210 550 HB3 ALA 71 HB3 ALA 71 0.043 30.126 68.718 551 H LYS 72 H LYS 72 -0.514 29.108 72.271 552 HA LYS 72 HA LYS 72 -1.233 26.433 72.596 553 HB2 LYS 72 HB2 LYS 72 -0.109 28.557 74.274 554 HB3 LYS 72 HB3 LYS 72 -1.028 27.360 75.177 555 HG2 LYS 72 HG2 LYS 72 1.179 26.587 75.198 556 HG3 LYS 72 HG3 LYS 72 0.363 25.608 73.977 557 HD2 LYS 72 HD2 LYS 72 2.361 26.194 72.940 558 HD3 LYS 72 HD3 LYS 72 1.217 27.380 72.307 559 HE2 LYS 72 HE2 LYS 72 2.347 29.076 73.212 560 HE3 LYS 72 HE3 LYS 72 2.436 28.272 74.778 561 HZ1 LYS 72 HZ1 LYS 72 4.557 28.766 73.247 562 HZ2 LYS 72 HZ2 LYS 72 4.178 27.204 72.719 563 HZ3 LYS 72 HZ3 LYS 72 4.485 27.491 74.357 564 H GLN 73 H GLN 73 -2.875 29.386 73.626 565 HA GLN 73 HA GLN 73 -4.827 28.397 75.275 566 HB2 GLN 73 HB2 GLN 73 -4.781 30.650 73.309 567 HB3 GLN 73 HB3 GLN 73 -6.295 30.240 74.107 568 HG2 GLN 73 HG2 GLN 73 -4.071 30.438 75.963 569 HG3 GLN 73 HG3 GLN 73 -4.349 31.930 75.066 570 HE21 GLN 73 HE21 GLN 73 -4.715 31.669 77.827 571 HE22 GLN 73 HE22 GLN 73 -6.393 31.879 78.177 572 H HIS 74 H HIS 74 -5.225 28.858 71.758 573 HA HIS 74 HA HIS 74 -6.975 26.500 71.727 574 HD1 HIS 74 HD1 HIS 74 -10.080 29.834 71.540 575 HD2 HIS 74 HD2 HIS 74 -8.823 26.030 72.643 576 HE1 HIS 74 HE1 HIS 74 -11.805 29.002 73.169 577 HB2 HIS 74 HB2 HIS 74 -7.624 29.275 70.885 578 HB3 HIS 74 HB3 HIS 74 -8.200 27.972 69.849 579 H GLY 75 H GLY 75 -5.331 28.886 69.647 580 HA2 GLY 75 HA2 GLY 75 -3.666 28.334 68.057 581 HA3 GLY 75 HA3 GLY 75 -4.226 26.668 68.088 582 H THR 76 H THR 76 -7.061 27.812 67.878 583 HA THR 76 HA THR 76 -7.123 27.773 64.978 584 HB THR 76 HB THR 76 -9.127 26.838 65.239 585 HG1 THR 76 HG1 THR 76 -10.752 28.083 66.582 586 HG21 THR 76 HG21 THR 76 -9.700 25.913 67.301 587 HG22 THR 76 HG22 THR 76 -9.097 27.303 68.203 588 HG23 THR 76 HG23 THR 76 -7.963 26.177 67.454 589 HA PRO 77 HA PRO 77 -9.196 32.063 65.856 590 HB2 PRO 77 HB2 PRO 77 -8.869 33.087 68.349 591 HB3 PRO 77 HB3 PRO 77 -10.239 32.063 67.903 592 HG2 PRO 77 HG2 PRO 77 -7.714 31.331 69.336 593 HG3 PRO 77 HG3 PRO 77 -9.381 30.840 69.686 594 HD2 PRO 77 HD2 PRO 77 -7.635 29.236 68.380 595 HD3 PRO 77 HD3 PRO 77 -9.380 29.215 68.052 596 HA PRO 78 HA PRO 78 -4.844 33.754 67.313 597 HB2 PRO 78 HB2 PRO 78 -2.909 31.850 67.337 598 HB3 PRO 78 HB3 PRO 78 -3.864 32.266 68.765 599 HG2 PRO 78 HG2 PRO 78 -4.202 29.983 66.858 600 HG3 PRO 78 HG3 PRO 78 -4.309 29.988 68.629 601 HD2 PRO 78 HD2 PRO 78 -6.499 30.014 67.036 602 HD3 PRO 78 HD3 PRO 78 -6.461 30.814 68.622 603 H THR 79 H THR 79 -4.970 34.691 65.268 604 HA THR 79 HA THR 79 -3.016 33.812 63.380 605 HB THR 79 HB THR 79 -5.899 33.722 62.473 606 HG1 THR 79 HG1 THR 79 -4.182 31.505 62.375 607 HG21 THR 79 HG21 THR 79 -4.330 34.530 60.759 608 HG22 THR 79 HG22 THR 79 -4.983 32.945 60.351 609 HG23 THR 79 HG23 THR 79 -3.345 33.086 60.989 610 H ALA 80 H ALA 80 -2.639 35.350 61.701 611 HA ALA 80 HA ALA 80 -2.627 37.968 62.351 612 HB1 ALA 80 HB1 ALA 80 -1.492 37.014 60.387 613 HB2 ALA 80 HB2 ALA 80 -3.040 36.945 59.544 614 HB3 ALA 80 HB3 ALA 80 -2.355 38.503 60.005 615 H SER 81 H SER 81 -5.380 36.155 61.337 616 HA SER 81 HA SER 81 -6.999 38.339 60.497 617 HG SER 81 HG SER 81 -8.906 37.658 59.700 618 HB2 SER 81 HB2 SER 81 -7.225 35.545 60.516 619 HB3 SER 81 HB3 SER 81 -8.537 36.120 61.545 620 H ASP 82 H ASP 82 -6.800 36.484 63.523 621 HA ASP 82 HA ASP 82 -8.630 38.315 64.838 622 HB2 ASP 82 HB2 ASP 82 -7.119 35.943 65.956 623 HB3 ASP 82 HB3 ASP 82 -8.409 36.827 66.770 624 H VAL 83 H VAL 83 -5.218 37.388 65.021 625 HA VAL 83 HA VAL 83 -4.341 38.754 67.206 626 HB VAL 83 HB VAL 83 -2.947 38.611 64.530 627 HG11 VAL 83 HG11 VAL 83 -2.179 39.796 67.090 628 HG12 VAL 83 HG12 VAL 83 -0.996 38.659 66.442 629 HG13 VAL 83 HG13 VAL 83 -1.510 40.043 65.478 630 HG21 VAL 83 HG21 VAL 83 -3.612 36.600 66.402 631 HG22 VAL 83 HG22 VAL 83 -2.605 36.460 64.961 632 HG23 VAL 83 HG23 VAL 83 -1.872 36.865 66.512 633 H VAL 84 H VAL 84 -5.593 40.098 64.287 634 HA VAL 84 HA VAL 84 -4.457 42.615 64.203 635 HB VAL 84 HB VAL 84 -6.447 43.385 63.061 636 HG11 VAL 84 HG11 VAL 84 -4.878 41.268 62.273 637 HG12 VAL 84 HG12 VAL 84 -6.517 40.676 61.995 638 HG13 VAL 84 HG13 VAL 84 -5.980 42.177 61.241 639 HG21 VAL 84 HG21 VAL 84 -7.710 41.253 64.621 640 HG22 VAL 84 HG22 VAL 84 -8.392 42.746 63.978 641 HG23 VAL 84 HG23 VAL 84 -8.238 41.328 62.941 642 H GLY 85 H GLY 85 -6.955 41.377 66.338 643 HA2 GLY 85 HA2 GLY 85 -6.698 43.828 67.939 644 HA3 GLY 85 HA3 GLY 85 -8.303 43.288 67.469 645 H MET 86 H MET 86 -6.473 40.576 67.863 646 HA MET 86 HA MET 86 -7.838 39.753 70.190 647 HB2 MET 86 HB2 MET 86 -6.670 38.378 68.277 648 HB3 MET 86 HB3 MET 86 -5.276 38.457 69.348 649 HG2 MET 86 HG2 MET 86 -7.677 37.673 70.759 650 HG3 MET 86 HG3 MET 86 -7.317 36.595 69.413 651 HE1 MET 86 HE1 MET 86 -4.566 35.187 69.418 652 HE2 MET 86 HE2 MET 86 -5.073 34.207 70.794 653 HE3 MET 86 HE3 MET 86 -6.264 34.749 69.612 654 HA PRO 87 HA PRO 87 -3.568 40.502 72.379 655 HB2 PRO 87 HB2 PRO 87 -1.880 42.223 71.129 656 HB3 PRO 87 HB3 PRO 87 -1.851 40.478 70.852 657 HG2 PRO 87 HG2 PRO 87 -3.112 42.638 69.205 658 HG3 PRO 87 HG3 PRO 87 -2.173 41.230 68.674 659 HD2 PRO 87 HD2 PRO 87 -4.878 41.298 68.579 660 HD3 PRO 87 HD3 PRO 87 -3.970 39.801 68.870 661 H GLN 88 H GLN 88 -2.468 42.582 73.320 662 HA GLN 88 HA GLN 88 -4.620 44.420 73.915 663 HB2 GLN 88 HB2 GLN 88 -3.079 45.344 75.587 664 HB3 GLN 88 HB3 GLN 88 -3.214 43.596 75.730 665 HG2 GLN 88 HG2 GLN 88 -1.092 43.648 74.170 666 HG3 GLN 88 HG3 GLN 88 -0.914 45.260 74.863 667 HE21 GLN 88 HE21 GLN 88 0.626 42.708 75.156 668 HE22 GLN 88 HE22 GLN 88 0.739 42.459 76.861 669 H TRP 89 H TRP 89 -1.562 44.447 72.197 670 HA TRP 89 HA TRP 89 -0.964 47.070 71.893 671 HD1 TRP 89 HD1 TRP 89 -1.228 43.228 69.068 672 HE1 TRP 89 HE1 TRP 89 -2.286 43.437 66.731 673 HE3 TRP 89 HE3 TRP 89 -1.099 48.314 68.572 674 HZ2 TRP 89 HZ2 TRP 89 -2.975 45.487 64.917 675 HZ3 TRP 89 HZ3 TRP 89 -1.976 49.320 66.505 676 HH2 TRP 89 HH2 TRP 89 -2.893 47.934 64.717 677 HB2 TRP 89 HB2 TRP 89 0.292 46.459 70.085 678 HB3 TRP 89 HB3 TRP 89 -0.071 44.849 70.701 679 H GLN 90 H GLN 90 -3.599 45.345 70.312 680 HA GLN 90 HA GLN 90 -4.371 47.369 68.523 681 HB2 GLN 90 HB2 GLN 90 -5.225 45.166 68.197 682 HB3 GLN 90 HB3 GLN 90 -5.920 45.125 69.811 683 HG2 GLN 90 HG2 GLN 90 -6.991 47.348 68.370 684 HG3 GLN 90 HG3 GLN 90 -7.157 45.880 67.409 685 HE21 GLN 90 HE21 GLN 90 -9.430 46.947 68.121 686 HE22 GLN 90 HE22 GLN 90 -10.180 46.097 69.425 687 H GLU 91 H GLU 91 -5.537 46.601 71.794 688 HA GLU 91 HA GLU 91 -7.369 48.773 71.900 689 HB2 GLU 91 HB2 GLU 91 -6.550 46.600 73.613 690 HB3 GLU 91 HB3 GLU 91 -6.657 48.095 74.533 691 HG2 GLU 91 HG2 GLU 91 -8.946 48.417 73.758 692 HG3 GLU 91 HG3 GLU 91 -8.841 46.927 72.821 693 H TYR 92 H TYR 92 -4.078 48.289 73.116 694 HA TYR 92 HA TYR 92 -3.835 50.722 74.492 695 HD1 TYR 92 HD1 TYR 92 -3.799 48.430 75.771 696 HD2 TYR 92 HD2 TYR 92 0.009 50.318 75.564 697 HE1 TYR 92 HE1 TYR 92 -3.521 48.124 78.195 698 HE2 TYR 92 HE2 TYR 92 0.298 50.015 77.987 699 HH TYR 92 HH TYR 92 -0.581 48.478 79.768 700 HB2 TYR 92 HB2 TYR 92 -2.025 48.613 73.541 701 HB3 TYR 92 HB3 TYR 92 -1.278 50.203 73.652 702 H THR 93 H THR 93 -2.612 49.860 71.254 703 HA THR 93 HA THR 93 -1.592 52.258 70.449 704 HB THR 93 HB THR 93 -1.575 50.155 69.098 705 HG1 THR 93 HG1 THR 93 -2.589 52.176 67.427 706 HG21 THR 93 HG21 THR 93 -3.792 50.495 67.452 707 HG22 THR 93 HG22 THR 93 -4.426 50.666 69.087 708 HG23 THR 93 HG23 THR 93 -3.545 49.209 68.632 709 H ALA 94 H ALA 94 -4.906 51.488 71.007 710 HA ALA 94 HA ALA 94 -5.982 53.671 69.470 711 HB1 ALA 94 HB1 ALA 94 -7.013 51.370 70.781 712 HB2 ALA 94 HB2 ALA 94 -7.855 52.789 71.406 713 HB3 ALA 94 HB3 ALA 94 -7.833 52.468 69.671 714 H MET 95 H MET 95 -5.293 53.031 72.881 715 HA MET 95 HA MET 95 -6.450 55.336 73.964 716 HB2 MET 95 HB2 MET 95 -5.355 53.208 75.080 717 HB3 MET 95 HB3 MET 95 -3.930 54.237 75.132 718 HG2 MET 95 HG2 MET 95 -6.184 55.706 76.084 719 HG3 MET 95 HG3 MET 95 -6.091 54.161 76.927 720 HE1 MET 95 HE1 MET 95 -4.528 56.909 79.323 721 HE2 MET 95 HE2 MET 95 -6.000 56.784 78.359 722 HE3 MET 95 HE3 MET 95 -5.507 55.443 79.394 723 H LEU 96 H LEU 96 -3.558 54.903 72.142 724 HA LEU 96 HA LEU 96 -2.239 57.288 73.016 725 HG LEU 96 HG LEU 96 -1.870 54.074 71.862 726 HB2 LEU 96 HB2 LEU 96 -1.708 56.013 70.371 727 HB3 LEU 96 HB3 LEU 96 -0.581 56.778 71.489 728 HD11 LEU 96 HD11 LEU 96 0.950 54.844 71.125 729 HD12 LEU 96 HD12 LEU 96 -0.226 54.052 70.077 730 HD13 LEU 96 HD13 LEU 96 0.396 53.211 71.496 731 HD21 LEU 96 HD21 LEU 96 -0.480 55.870 73.671 732 HD22 LEU 96 HD22 LEU 96 0.307 54.297 73.547 733 HD23 LEU 96 HD23 LEU 96 -1.390 54.399 74.014 734 H ARG 97 H ARG 97 -3.871 56.401 69.969 735 HA ARG 97 HA ARG 97 -3.865 59.103 69.016 736 HE ARG 97 HE ARG 97 -6.278 54.620 65.647 737 HB2 ARG 97 HB2 ARG 97 -5.295 58.193 67.192 738 HB3 ARG 97 HB3 ARG 97 -3.787 57.313 67.409 739 HG2 ARG 97 HG2 ARG 97 -5.523 55.938 69.026 740 HG3 ARG 97 HG3 ARG 97 -6.539 56.403 67.660 741 HD2 ARG 97 HD2 ARG 97 -3.838 55.283 67.108 742 HD3 ARG 97 HD3 ARG 97 -5.112 54.182 67.630 743 HH11 ARG 97 HH11 ARG 97 -3.301 56.414 65.843 744 HH12 ARG 97 HH12 ARG 97 -3.275 56.809 64.157 745 HH21 ARG 97 HH21 ARG 97 -6.256 55.133 63.424 746 HH22 ARG 97 HH22 ARG 97 -4.957 56.080 62.781 747 H GLU 98 H GLU 98 -5.932 57.224 71.012 748 HA GLU 98 HA GLU 98 -8.270 58.876 70.557 749 HB2 GLU 98 HB2 GLU 98 -8.645 56.534 70.998 750 HB3 GLU 98 HB3 GLU 98 -7.722 56.621 72.491 751 HG2 GLU 98 HG2 GLU 98 -9.998 56.582 73.101 752 HG3 GLU 98 HG3 GLU 98 -9.440 58.236 73.345 753 H ARG 99 H ARG 99 -6.073 58.199 73.276 754 HA ARG 99 HA ARG 99 -7.127 60.499 74.722 755 HE ARG 99 HE ARG 99 -6.416 60.135 79.351 756 HB2 ARG 99 HB2 ARG 99 -6.006 58.018 75.479 757 HB3 ARG 99 HB3 ARG 99 -4.888 59.259 76.027 758 HG2 ARG 99 HG2 ARG 99 -7.828 59.122 76.665 759 HG3 ARG 99 HG3 ARG 99 -6.504 58.703 77.753 760 HD2 ARG 99 HD2 ARG 99 -5.808 61.220 76.969 761 HD3 ARG 99 HD3 ARG 99 -7.568 61.326 76.993 762 HH11 ARG 99 HH11 ARG 99 -7.403 63.091 77.799 763 HH12 ARG 99 HH12 ARG 99 -7.601 63.959 79.286 764 HH21 ARG 99 HH21 ARG 99 -6.672 61.266 81.314 765 HH22 ARG 99 HH22 ARG 99 -7.184 62.920 81.285 766 H PHE 100 H PHE 100 -4.061 59.352 73.359 767 HA PHE 100 HA PHE 100 -2.073 60.412 72.973 768 HD1 PHE 100 HD1 PHE 100 -5.767 61.397 71.520 769 HD2 PHE 100 HD2 PHE 100 -3.232 64.526 72.896 770 HE1 PHE 100 HE1 PHE 100 -7.730 62.850 71.818 771 HE2 PHE 100 HE2 PHE 100 -5.190 65.985 73.197 772 HZ PHE 100 HZ PHE 100 -7.444 65.147 72.659 773 HB2 PHE 100 HB2 PHE 100 -2.318 62.604 71.805 774 HB3 PHE 100 HB3 PHE 100 -3.354 61.341 71.150 775 H ALA 101 H ALA 101 -3.049 60.585 75.695 776 HA ALA 101 HA ALA 101 -2.035 63.218 76.525 777 HB1 ALA 101 HB1 ALA 101 -3.542 61.223 78.207 778 HB2 ALA 101 HB2 ALA 101 -3.171 62.900 78.606 779 HB3 ALA 101 HB3 ALA 101 -4.303 62.533 77.304 780 H GLY 102 H GLY 102 0.136 63.056 76.699 781 HA2 GLY 102 HA2 GLY 102 1.664 62.377 78.630 782 HA3 GLY 102 HA3 GLY 102 1.229 60.740 78.161 783 H LEU 103 H LEU 103 1.511 60.449 75.631 784 HA LEU 103 HA LEU 103 4.225 60.398 75.103 785 HG LEU 103 HG LEU 103 0.941 60.973 73.739 786 HB2 LEU 103 HB2 LEU 103 3.507 60.143 72.684 787 HB3 LEU 103 HB3 LEU 103 2.872 58.973 73.839 788 HD11 LEU 103 HD11 LEU 103 1.425 62.057 71.816 789 HD12 LEU 103 HD12 LEU 103 0.588 60.679 71.104 790 HD13 LEU 103 HD13 LEU 103 2.350 60.708 71.156 791 HD21 LEU 103 HD21 LEU 103 -0.271 59.183 72.355 792 HD22 LEU 103 HD22 LEU 103 0.283 58.748 73.972 793 HD23 LEU 103 HD23 LEU 103 1.199 58.229 72.557 794 H ASP 104 H ASP 104 5.428 62.206 75.225 795 HA ASP 104 HA ASP 104 5.130 64.176 73.140 796 HB2 ASP 104 HB2 ASP 104 4.421 64.763 75.963 797 HB3 ASP 104 HB3 ASP 104 5.381 65.975 75.119 798 H THR 105 H THR 105 6.891 65.971 73.533 799 HA THR 105 HA THR 105 9.179 66.182 73.241 800 HB THR 105 HB THR 105 8.480 66.741 75.707 801 HG1 THR 105 HG1 THR 105 11.159 66.335 74.827 802 HG21 THR 105 HG21 THR 105 8.986 65.285 77.334 803 HG22 THR 105 HG22 THR 105 10.542 64.883 76.609 804 HG23 THR 105 HG23 THR 105 9.075 64.076 76.053 805 H ILE 106 H ILE 106 8.254 63.510 72.569 806 HA ILE 106 HA ILE 106 10.060 61.591 73.667 807 HB ILE 106 HB ILE 106 8.263 61.540 71.250 808 HG12 ILE 106 HG12 ILE 106 7.658 59.490 73.069 809 HG13 ILE 106 HG13 ILE 106 7.992 60.907 74.060 810 HG21 ILE 106 HG21 ILE 106 10.263 60.185 70.801 811 HG22 ILE 106 HG22 ILE 106 9.975 59.286 72.290 812 HG23 ILE 106 HG23 ILE 106 8.813 59.194 70.966 813 HD11 ILE 106 HD11 ILE 106 5.974 60.703 71.839 814 HD12 ILE 106 HD12 ILE 106 5.642 60.780 73.569 815 HD13 ILE 106 HD13 ILE 106 6.342 62.172 72.742 Start of MODEL 5 1 H LYS 1 H LYS 1 45.561 49.782 72.133 2 HA LYS 1 HA LYS 1 46.165 52.527 71.486 3 HB2 LYS 1 HB2 LYS 1 47.686 50.317 72.112 4 HB3 LYS 1 HB3 LYS 1 47.946 50.481 70.380 5 HG2 LYS 1 HG2 LYS 1 49.050 52.461 70.589 6 HG3 LYS 1 HG3 LYS 1 48.180 52.919 72.056 7 HD2 LYS 1 HD2 LYS 1 49.910 52.222 73.265 8 HD3 LYS 1 HD3 LYS 1 49.648 50.584 72.662 9 HE2 LYS 1 HE2 LYS 1 51.821 50.943 72.011 10 HE3 LYS 1 HE3 LYS 1 50.953 51.475 70.572 11 HZ1 LYS 1 HZ1 LYS 1 52.769 52.931 72.030 12 HZ2 LYS 1 HZ2 LYS 1 51.269 53.605 72.429 13 HZ3 LYS 1 HZ3 LYS 1 51.752 53.515 70.811 14 H GLN 2 H GLN 2 45.577 49.532 69.676 15 HA GLN 2 HA GLN 2 45.711 50.924 67.142 16 HB2 GLN 2 HB2 GLN 2 45.598 48.128 68.043 17 HB3 GLN 2 HB3 GLN 2 44.707 48.447 66.560 18 HG2 GLN 2 HG2 GLN 2 46.768 49.496 65.633 19 HG3 GLN 2 HG3 GLN 2 47.625 48.956 67.075 20 HE21 GLN 2 HE21 GLN 2 48.326 48.206 64.479 21 HE22 GLN 2 HE22 GLN 2 48.071 46.505 64.311 22 H GLN 3 H GLN 3 43.226 49.183 69.004 23 HA GLN 3 HA GLN 3 41.188 50.697 67.508 24 HB2 GLN 3 HB2 GLN 3 41.099 47.854 68.516 25 HB3 GLN 3 HB3 GLN 3 39.669 48.731 67.989 26 HG2 GLN 3 HG2 GLN 3 41.434 49.070 65.900 27 HG3 GLN 3 HG3 GLN 3 41.728 47.414 66.430 28 HE21 GLN 3 HE21 GLN 3 40.549 48.329 63.958 29 HE22 GLN 3 HE22 GLN 3 38.964 47.647 63.885 30 H LEU 4 H LEU 4 39.269 51.264 68.670 31 HA LEU 4 HA LEU 4 39.210 50.915 71.537 32 HG LEU 4 HG LEU 4 40.657 51.994 72.772 33 HB2 LEU 4 HB2 LEU 4 40.385 53.240 70.381 34 HB3 LEU 4 HB3 LEU 4 38.877 53.704 71.166 35 HD11 LEU 4 HD11 LEU 4 42.479 53.188 72.105 36 HD12 LEU 4 HD12 LEU 4 41.873 54.264 73.364 37 HD13 LEU 4 HD13 LEU 4 41.529 54.609 71.669 38 HD21 LEU 4 HD21 LEU 4 40.042 54.141 74.270 39 HD22 LEU 4 HD22 LEU 4 38.984 52.741 74.089 40 HD23 LEU 4 HD23 LEU 4 38.711 54.184 73.111 41 H GLN 5 H GLN 5 37.212 51.579 72.487 42 HA GLN 5 HA GLN 5 34.960 51.099 70.896 43 HB2 GLN 5 HB2 GLN 5 35.091 52.478 73.583 44 HB3 GLN 5 HB3 GLN 5 33.648 51.788 72.853 45 HG2 GLN 5 HG2 GLN 5 34.383 49.606 73.156 46 HG3 GLN 5 HG3 GLN 5 36.063 50.099 73.361 47 HE21 GLN 5 HE21 GLN 5 35.916 48.701 75.257 48 HE22 GLN 5 HE22 GLN 5 35.309 49.363 76.733 49 H GLU 6 H GLU 6 34.344 52.375 69.273 50 HA GLU 6 HA GLU 6 34.729 55.238 69.378 51 HB2 GLU 6 HB2 GLU 6 33.803 53.287 67.312 52 HB3 GLU 6 HB3 GLU 6 33.406 54.987 67.111 53 HG2 GLU 6 HG2 GLU 6 35.601 55.609 66.823 54 HG3 GLU 6 HG3 GLU 6 36.223 54.199 67.677 55 H HIS 7 H HIS 7 31.929 53.064 69.003 56 HA HIS 7 HA HIS 7 29.979 55.089 69.206 57 HD1 HIS 7 HD1 HIS 7 29.434 51.775 66.804 58 HD2 HIS 7 HD2 HIS 7 27.315 54.961 68.422 59 HE1 HIS 7 HE1 HIS 7 27.921 52.581 64.964 60 HB2 HIS 7 HB2 HIS 7 30.028 52.156 69.162 61 HB3 HIS 7 HB3 HIS 7 28.699 52.828 70.102 62 H ALA 8 H ALA 8 28.277 55.045 71.003 63 HA ALA 8 HA ALA 8 29.356 54.495 73.648 64 HB1 ALA 8 HB1 ALA 8 29.013 57.221 72.540 65 HB2 ALA 8 HB2 ALA 8 28.522 56.956 74.212 66 HB3 ALA 8 HB3 ALA 8 30.178 56.610 73.715 67 HA PRO 9 HA PRO 9 25.172 53.652 74.667 68 HB2 PRO 9 HB2 PRO 9 25.061 54.407 77.272 69 HB3 PRO 9 HB3 PRO 9 25.921 52.962 76.727 70 HG2 PRO 9 HG2 PRO 9 27.004 55.674 77.387 71 HG3 PRO 9 HG3 PRO 9 27.650 54.077 77.810 72 HD2 PRO 9 HD2 PRO 9 28.633 55.552 75.762 73 HD3 PRO 9 HD3 PRO 9 28.608 53.777 75.735 74 H SER 10 H SER 10 23.753 54.938 73.598 75 HA SER 10 HA SER 10 22.709 57.239 75.001 76 HG SER 10 HG SER 10 23.348 59.558 74.256 77 HB2 SER 10 HB2 SER 10 24.445 57.513 72.653 78 HB3 SER 10 HB3 SER 10 22.896 58.339 72.484 79 H HIS 11 H HIS 11 20.587 57.645 74.522 80 HA HIS 11 HA HIS 11 19.097 55.585 73.291 81 HD1 HIS 11 HD1 HIS 11 19.938 59.407 73.682 82 HD2 HIS 11 HD2 HIS 11 15.791 59.153 73.677 83 HE1 HIS 11 HE1 HIS 11 19.123 61.739 73.209 84 HB2 HIS 11 HB2 HIS 11 17.173 56.817 73.866 85 HB3 HIS 11 HB3 HIS 11 18.343 57.211 75.123 86 H ALA 12 H ALA 12 18.285 55.358 71.282 87 HA ALA 12 HA ALA 12 18.125 57.566 69.440 88 HB1 ALA 12 HB1 ALA 12 19.701 55.522 68.137 89 HB2 ALA 12 HB2 ALA 12 19.970 57.262 68.237 90 HB3 ALA 12 HB3 ALA 12 20.542 56.204 69.529 91 H ASN 13 H ASN 13 17.547 56.626 67.155 92 HA ASN 13 HA ASN 13 15.136 55.225 67.416 93 HB2 ASN 13 HB2 ASN 13 15.261 56.542 65.500 94 HB3 ASN 13 HB3 ASN 13 16.874 55.967 65.088 95 HD21 ASN 13 HD21 ASN 13 16.565 55.203 63.091 96 HD22 ASN 13 HD22 ASN 13 15.455 53.946 62.676 97 H LEU 14 H LEU 14 18.206 54.111 65.979 98 HA LEU 14 HA LEU 14 17.542 51.504 65.442 99 HG LEU 14 HG LEU 14 19.089 52.566 63.761 100 HB2 LEU 14 HB2 LEU 14 20.068 52.883 66.171 101 HB3 LEU 14 HB3 LEU 14 20.064 51.121 66.188 102 HD11 LEU 14 HD11 LEU 14 21.906 52.382 64.721 103 HD12 LEU 14 HD12 LEU 14 21.088 53.692 63.871 104 HD13 LEU 14 HD13 LEU 14 21.567 52.238 62.996 105 HD21 LEU 14 HD21 LEU 14 19.181 50.543 62.830 106 HD22 LEU 14 HD22 LEU 14 19.368 49.914 64.467 107 HD23 LEU 14 HD23 LEU 14 20.792 50.226 63.476 108 H ASP 15 H ASP 15 18.392 52.934 68.536 109 HA ASP 15 HA ASP 15 18.982 50.925 70.191 110 HB2 ASP 15 HB2 ASP 15 18.507 53.245 70.924 111 HB3 ASP 15 HB3 ASP 15 16.783 52.920 70.771 112 H VAL 16 H VAL 16 15.580 51.697 69.432 113 HA VAL 16 HA VAL 16 14.430 49.484 70.655 114 HB VAL 16 HB VAL 16 13.405 50.815 68.145 115 HG11 VAL 16 HG11 VAL 16 11.533 49.634 68.405 116 HG12 VAL 16 HG12 VAL 16 12.433 48.631 69.544 117 HG13 VAL 16 HG13 VAL 16 11.464 49.982 70.132 118 HG21 VAL 16 HG21 VAL 16 13.041 51.608 71.034 119 HG22 VAL 16 HG22 VAL 16 13.912 52.512 69.795 120 HG23 VAL 16 HG23 VAL 16 12.165 52.306 69.671 121 H LYS 17 H LYS 17 14.148 47.394 70.123 122 HA LYS 17 HA LYS 17 15.538 46.406 67.761 123 HB2 LYS 17 HB2 LYS 17 14.174 44.622 69.738 124 HB3 LYS 17 HB3 LYS 17 15.639 44.338 68.808 125 HG2 LYS 17 HG2 LYS 17 16.959 45.554 70.266 126 HG3 LYS 17 HG3 LYS 17 15.588 46.454 70.917 127 HD2 LYS 17 HD2 LYS 17 15.482 45.002 72.596 128 HD3 LYS 17 HD3 LYS 17 15.081 43.732 71.437 129 HE2 LYS 17 HE2 LYS 17 17.882 44.204 71.313 130 HE3 LYS 17 HE3 LYS 17 17.430 44.029 73.008 131 HZ1 LYS 17 HZ1 LYS 17 17.608 41.855 72.560 132 HZ2 LYS 17 HZ2 LYS 17 17.447 42.062 70.889 133 HZ3 LYS 17 HZ3 LYS 17 16.072 42.020 71.871 134 H TRP 18 H TRP 18 12.474 45.471 69.327 135 HA TRP 18 HA TRP 18 11.068 45.742 66.799 136 HD1 TRP 18 HD1 TRP 18 13.577 42.133 67.575 137 HE1 TRP 18 HE1 TRP 18 14.923 41.928 65.390 138 HE3 TRP 18 HE3 TRP 18 10.530 44.840 64.489 139 HZ2 TRP 18 HZ2 TRP 18 14.719 42.800 62.713 140 HZ3 TRP 18 HZ3 TRP 18 11.178 45.107 62.130 141 HH2 TRP 18 HH2 TRP 18 13.230 44.108 61.263 142 HB2 TRP 18 HB2 TRP 18 11.290 43.086 68.232 143 HB3 TRP 18 HB3 TRP 18 10.189 43.422 66.899 144 H LEU 19 H LEU 19 8.685 44.900 67.186 145 HA LEU 19 HA LEU 19 7.433 46.585 68.944 146 HG LEU 19 HG LEU 19 4.195 45.063 67.976 147 HB2 LEU 19 HB2 LEU 19 6.536 44.966 67.073 148 HB3 LEU 19 HB3 LEU 19 6.206 43.917 68.450 149 HD11 LEU 19 HD11 LEU 19 4.976 44.957 70.381 150 HD12 LEU 19 HD12 LEU 19 3.731 46.150 70.014 151 HD13 LEU 19 HD13 LEU 19 5.407 46.659 70.216 152 HD21 LEU 19 HD21 LEU 19 5.389 47.770 68.276 153 HD22 LEU 19 HD22 LEU 19 3.974 47.252 67.359 154 HD23 LEU 19 HD23 LEU 19 5.593 46.928 66.739 155 H ASP 20 H ASP 20 8.792 43.431 69.581 156 HA ASP 20 HA ASP 20 8.258 43.839 72.438 157 HB2 ASP 20 HB2 ASP 20 6.600 42.234 71.752 158 HB3 ASP 20 HB3 ASP 20 7.806 41.284 70.889 159 H GLY 21 H GLY 21 9.763 42.805 73.858 160 HA2 GLY 21 HA2 GLY 21 11.762 41.238 73.840 161 HA3 GLY 21 HA3 GLY 21 12.344 42.259 72.534 162 H LEU 22 H LEU 22 11.106 44.620 74.010 163 HA LEU 22 HA LEU 22 13.450 45.140 75.664 164 HG LEU 22 HG LEU 22 13.872 46.265 73.573 165 HB2 LEU 22 HB2 LEU 22 11.257 46.919 74.619 166 HB3 LEU 22 HB3 LEU 22 12.533 47.478 75.699 167 HD11 LEU 22 HD11 LEU 22 12.917 47.648 71.665 168 HD12 LEU 22 HD12 LEU 22 11.459 47.792 72.646 169 HD13 LEU 22 HD13 LEU 22 12.021 46.202 72.132 170 HD21 LEU 22 HD21 LEU 22 14.482 48.291 74.885 171 HD22 LEU 22 HD22 LEU 22 13.292 49.199 73.952 172 HD23 LEU 22 HD23 LEU 22 14.683 48.478 73.142 173 H ARG 23 H ARG 23 13.234 44.359 77.677 174 HA ARG 23 HA ARG 23 10.773 44.132 79.057 175 HE ARG 23 HE ARG 23 12.901 40.850 81.305 176 HB2 ARG 23 HB2 ARG 23 12.901 42.803 79.469 177 HB3 ARG 23 HB3 ARG 23 13.506 44.213 80.328 178 HG2 ARG 23 HG2 ARG 23 11.375 44.028 81.738 179 HG3 ARG 23 HG3 ARG 23 11.233 42.407 81.055 180 HD2 ARG 23 HD2 ARG 23 13.822 43.266 82.261 181 HD3 ARG 23 HD3 ARG 23 12.492 42.799 83.318 182 HH11 ARG 23 HH11 ARG 23 14.251 42.061 84.277 183 HH12 ARG 23 HH12 ARG 23 14.986 40.553 84.710 184 HH21 ARG 23 HH21 ARG 23 13.864 38.860 81.864 185 HH22 ARG 23 HH22 ARG 23 14.766 38.732 83.337 186 H ALA 24 H ALA 24 13.570 46.227 79.786 187 HA ALA 24 HA ALA 24 12.157 47.862 81.605 188 HB1 ALA 24 HB1 ALA 24 14.806 47.581 80.781 189 HB2 ALA 24 HB2 ALA 24 14.370 49.244 80.381 190 HB3 ALA 24 HB3 ALA 24 14.187 48.658 82.034 191 H GLY 25 H GLY 25 12.938 48.235 78.166 192 HA2 GLY 25 HA2 GLY 25 11.545 49.333 76.608 193 HA3 GLY 25 HA3 GLY 25 10.744 50.155 77.938 194 H SER 26 H SER 26 11.053 51.985 76.374 195 HA SER 26 HA SER 26 13.765 53.074 76.363 196 HG SER 26 HG SER 26 12.285 55.737 74.507 197 HB2 SER 26 HB2 SER 26 12.594 53.126 74.235 198 HB3 SER 26 HB3 SER 26 11.238 53.986 74.966 199 H MET 27 H MET 27 10.505 53.866 77.481 200 HA MET 27 HA MET 27 11.603 55.495 79.596 201 HB2 MET 27 HB2 MET 27 9.724 56.751 77.588 202 HB3 MET 27 HB3 MET 27 10.374 57.518 79.031 203 HG2 MET 27 HG2 MET 27 12.616 57.403 78.110 204 HG3 MET 27 HG3 MET 27 12.000 56.577 76.681 205 HE1 MET 27 HE1 MET 27 9.740 57.719 75.514 206 HE2 MET 27 HE2 MET 27 9.105 58.633 76.883 207 HE3 MET 27 HE3 MET 27 9.533 59.466 75.388 208 H ALA 28 H ALA 28 9.632 56.558 80.823 209 HA ALA 28 HA ALA 28 8.188 54.687 82.105 210 HB1 ALA 28 HB1 ALA 28 6.387 56.542 82.364 211 HB2 ALA 28 HB2 ALA 28 8.006 56.804 83.012 212 HB3 ALA 28 HB3 ALA 28 7.541 57.537 81.476 213 H LEU 29 H LEU 29 6.867 56.526 79.343 214 HA LEU 29 HA LEU 29 4.485 55.109 79.093 215 HG LEU 29 HG LEU 29 3.507 56.995 78.611 216 HB2 LEU 29 HB2 LEU 29 6.053 56.948 77.456 217 HB3 LEU 29 HB3 LEU 29 5.094 55.813 76.510 218 HD11 LEU 29 HD11 LEU 29 3.469 59.273 77.443 219 HD12 LEU 29 HD12 LEU 29 5.059 58.833 76.820 220 HD13 LEU 29 HD13 LEU 29 4.793 58.942 78.561 221 HD21 LEU 29 HD21 LEU 29 1.991 57.404 76.818 222 HD22 LEU 29 HD22 LEU 29 2.743 55.836 76.527 223 HD23 LEU 29 HD23 LEU 29 3.274 57.251 75.618 224 H GLN 30 H GLN 30 3.954 53.811 77.018 225 HA GLN 30 HA GLN 30 5.506 51.412 77.120 226 HB2 GLN 30 HB2 GLN 30 3.115 52.268 75.503 227 HB3 GLN 30 HB3 GLN 30 3.895 50.712 75.255 228 HG2 GLN 30 HG2 GLN 30 2.726 51.666 77.860 229 HG3 GLN 30 HG3 GLN 30 1.930 50.580 76.722 230 HE21 GLN 30 HE21 GLN 30 2.823 48.495 76.387 231 HE22 GLN 30 HE22 GLN 30 3.811 47.754 77.593 232 H GLY 31 H GLY 31 7.483 51.456 76.222 233 HA2 GLY 31 HA2 GLY 31 8.217 53.023 73.991 234 HA3 GLY 31 HA3 GLY 31 9.138 51.678 74.646 235 H ASP 32 H ASP 32 6.583 50.016 74.199 236 HA ASP 32 HA ASP 32 7.382 48.943 71.688 237 HB2 ASP 32 HB2 ASP 32 5.209 47.584 71.996 238 HB3 ASP 32 HB3 ASP 32 6.499 47.362 73.175 239 H VAL 33 H VAL 33 4.318 50.458 72.714 240 HA VAL 33 HA VAL 33 3.492 50.805 69.966 241 HB VAL 33 HB VAL 33 1.477 51.848 70.908 242 HG11 VAL 33 HG11 VAL 33 0.606 49.825 71.248 243 HG12 VAL 33 HG12 VAL 33 2.249 49.198 71.101 244 HG13 VAL 33 HG13 VAL 33 1.581 49.565 72.693 245 HG21 VAL 33 HG21 VAL 33 3.112 51.792 73.388 246 HG22 VAL 33 HG22 VAL 33 1.992 53.019 72.798 247 HG23 VAL 33 HG23 VAL 33 1.373 51.542 73.536 248 H LYS 34 H LYS 34 5.117 52.646 72.380 249 HA LYS 34 HA LYS 34 4.491 55.255 71.559 250 HB2 LYS 34 HB2 LYS 34 5.580 54.991 73.648 251 HB3 LYS 34 HB3 LYS 34 6.900 54.076 72.932 252 HG2 LYS 34 HG2 LYS 34 7.391 56.246 71.625 253 HG3 LYS 34 HG3 LYS 34 6.382 57.020 72.848 254 HD2 LYS 34 HD2 LYS 34 7.962 56.835 74.432 255 HD3 LYS 34 HD3 LYS 34 8.387 55.192 73.946 256 HE2 LYS 34 HE2 LYS 34 9.223 57.661 72.433 257 HE3 LYS 34 HE3 LYS 34 10.213 56.891 73.672 258 HZ1 LYS 34 HZ1 LYS 34 9.612 56.009 70.962 259 HZ2 LYS 34 HZ2 LYS 34 9.698 54.801 72.144 260 HZ3 LYS 34 HZ3 LYS 34 11.023 55.817 71.876 261 H VAL 35 H VAL 35 6.862 52.940 70.386 262 HA VAL 35 HA VAL 35 8.150 54.812 68.628 263 HB VAL 35 HB VAL 35 9.422 52.947 67.801 264 HG11 VAL 35 HG11 VAL 35 10.499 53.414 69.723 265 HG12 VAL 35 HG12 VAL 35 9.030 53.311 70.695 266 HG13 VAL 35 HG13 VAL 35 9.881 51.841 70.222 267 HG21 VAL 35 HG21 VAL 35 8.771 50.791 67.816 268 HG22 VAL 35 HG22 VAL 35 8.100 50.897 69.443 269 HG23 VAL 35 HG23 VAL 35 7.165 51.474 68.064 270 H TRP 36 H TRP 36 5.385 52.776 68.475 271 HA TRP 36 HA TRP 36 5.186 52.186 65.776 272 HD1 TRP 36 HD1 TRP 36 2.205 54.013 65.022 273 HE1 TRP 36 HE1 TRP 36 0.511 52.866 63.460 274 HE3 TRP 36 HE3 TRP 36 2.479 49.258 66.880 275 HZ2 TRP 36 HZ2 TRP 36 -0.568 50.287 63.069 276 HZ3 TRP 36 HZ3 TRP 36 1.083 47.510 65.856 277 HH2 TRP 36 HH2 TRP 36 -0.409 48.016 63.990 278 HB2 TRP 36 HB2 TRP 36 3.624 51.297 67.425 279 HB3 TRP 36 HB3 TRP 36 2.973 52.910 67.710 280 H MET 37 H MET 37 4.378 55.170 67.480 281 HA MET 37 HA MET 37 3.384 56.430 65.072 282 HB2 MET 37 HB2 MET 37 3.201 58.450 66.553 283 HB3 MET 37 HB3 MET 37 2.287 57.051 67.100 284 HG2 MET 37 HG2 MET 37 5.029 57.362 68.161 285 HG3 MET 37 HG3 MET 37 3.813 58.509 68.716 286 HE1 MET 37 HE1 MET 37 1.113 56.230 70.284 287 HE2 MET 37 HE2 MET 37 1.422 57.692 69.346 288 HE3 MET 37 HE3 MET 37 1.171 56.153 68.522 289 H GLN 38 H GLN 38 6.309 56.397 66.996 290 HA GLN 38 HA GLN 38 7.536 58.654 65.790 291 HB2 GLN 38 HB2 GLN 38 9.283 58.228 67.174 292 HB3 GLN 38 HB3 GLN 38 8.112 57.183 67.965 293 HG2 GLN 38 HG2 GLN 38 9.994 55.849 67.776 294 HG3 GLN 38 HG3 GLN 38 8.995 55.345 66.413 295 HE21 GLN 38 HE21 GLN 38 10.472 54.713 64.969 296 HE22 GLN 38 HE22 GLN 38 11.740 55.708 64.348 297 H ASN 39 H ASN 39 7.213 55.324 64.881 298 HA ASN 39 HA ASN 39 9.361 55.289 62.995 299 HB2 ASN 39 HB2 ASN 39 7.413 53.428 64.018 300 HB3 ASN 39 HB3 ASN 39 7.467 53.334 62.260 301 HD21 ASN 39 HD21 ASN 39 8.323 51.391 64.239 302 HD22 ASN 39 HD22 ASN 39 9.997 51.095 63.934 303 H LEU 40 H LEU 40 5.983 56.157 62.904 304 HA LEU 40 HA LEU 40 5.845 56.237 60.026 305 HG LEU 40 HG LEU 40 3.948 55.990 63.206 306 HB2 LEU 40 HB2 LEU 40 3.847 57.711 61.611 307 HB3 LEU 40 HB3 LEU 40 3.627 56.578 60.279 308 HD11 LEU 40 HD11 LEU 40 1.944 54.445 62.250 309 HD12 LEU 40 HD12 LEU 40 1.815 55.851 61.193 310 HD13 LEU 40 HD13 LEU 40 1.719 56.051 62.943 311 HD21 LEU 40 HD21 LEU 40 4.697 54.326 60.884 312 HD22 LEU 40 HD22 LEU 40 3.736 53.539 62.138 313 HD23 LEU 40 HD23 LEU 40 5.280 54.286 62.549 314 H GLU 41 H GLU 41 5.868 58.657 62.635 315 HA GLU 41 HA GLU 41 5.696 60.980 61.225 316 HB2 GLU 41 HB2 GLU 41 6.290 60.364 63.803 317 HB3 GLU 41 HB3 GLU 41 7.837 60.996 63.255 318 HG2 GLU 41 HG2 GLU 41 5.792 62.742 62.346 319 HG3 GLU 41 HG3 GLU 41 5.531 62.421 64.060 320 H ASP 42 H ASP 42 8.352 58.744 61.278 321 HA ASP 42 HA ASP 42 10.203 60.574 60.016 322 HB2 ASP 42 HB2 ASP 42 10.632 58.465 61.603 323 HB3 ASP 42 HB3 ASP 42 10.726 57.645 60.047 324 H LEU 43 H LEU 43 8.320 57.720 59.080 325 HA LEU 43 HA LEU 43 9.197 57.909 56.328 326 HG LEU 43 HG LEU 43 7.859 54.509 55.762 327 HB2 LEU 43 HB2 LEU 43 8.512 55.804 57.771 328 HB3 LEU 43 HB3 LEU 43 6.907 56.200 57.160 329 HD11 LEU 43 HD11 LEU 43 7.867 57.237 54.489 330 HD12 LEU 43 HD12 LEU 43 6.545 56.072 54.550 331 HD13 LEU 43 HD13 LEU 43 7.973 55.732 53.576 332 HD21 LEU 43 HD21 LEU 43 10.217 56.368 55.477 333 HD22 LEU 43 HD22 LEU 43 9.964 54.906 54.524 334 HD23 LEU 43 HD23 LEU 43 10.198 54.791 56.269 335 H HIS 44 H HIS 44 6.025 58.047 57.961 336 HA HIS 44 HA HIS 44 4.381 58.755 55.940 337 HD1 HIS 44 HD1 HIS 44 2.617 60.944 55.880 338 HD2 HIS 44 HD2 HIS 44 1.326 58.296 58.810 339 HE1 HIS 44 HE1 HIS 44 0.125 60.778 55.586 340 HB2 HIS 44 HB2 HIS 44 4.005 58.629 58.553 341 HB3 HIS 44 HB3 HIS 44 4.168 60.380 58.441 342 H THR 45 H THR 45 6.325 61.080 57.814 343 HA THR 45 HA THR 45 5.651 63.441 56.669 344 HB THR 45 HB THR 45 7.305 63.392 58.412 345 HG1 THR 45 HG1 THR 45 8.263 65.116 57.628 346 HG21 THR 45 HG21 THR 45 8.507 61.397 58.032 347 HG22 THR 45 HG22 THR 45 9.679 62.693 57.801 348 HG23 THR 45 HG23 THR 45 8.967 61.890 56.402 349 H ARG 46 H ARG 46 7.710 60.955 55.254 350 HA ARG 46 HA ARG 46 8.158 62.581 52.875 351 HE ARG 46 HE ARG 46 13.250 62.490 51.885 352 HB2 ARG 46 HB2 ARG 46 9.733 60.754 54.179 353 HB3 ARG 46 HB3 ARG 46 9.100 59.799 52.845 354 HG2 ARG 46 HG2 ARG 46 10.417 60.812 51.367 355 HG3 ARG 46 HG3 ARG 46 10.014 62.414 51.987 356 HD2 ARG 46 HD2 ARG 46 11.721 62.368 53.568 357 HD3 ARG 46 HD3 ARG 46 11.864 60.612 53.500 358 HH11 ARG 46 HH11 ARG 46 11.782 59.334 51.813 359 HH12 ARG 46 HH12 ARG 46 12.804 58.744 50.545 360 HH21 ARG 46 HH21 ARG 46 14.602 61.725 50.215 361 HH22 ARG 46 HH22 ARG 46 14.408 60.104 49.637 362 H ARG 47 H ARG 47 6.899 59.327 53.625 363 HA ARG 47 HA ARG 47 4.967 59.639 51.448 364 HE ARG 47 HE ARG 47 5.237 56.287 47.172 365 HB2 ARG 47 HB2 ARG 47 7.031 58.375 50.662 366 HB3 ARG 47 HB3 ARG 47 6.562 57.101 51.781 367 HG2 ARG 47 HG2 ARG 47 5.223 56.253 50.242 368 HG3 ARG 47 HG3 ARG 47 4.286 57.748 50.233 369 HD2 ARG 47 HD2 ARG 47 5.810 58.693 48.573 370 HD3 ARG 47 HD3 ARG 47 6.760 57.208 48.593 371 HH11 ARG 47 HH11 ARG 47 3.746 58.980 48.800 372 HH12 ARG 47 HH12 ARG 47 2.278 58.890 47.883 373 HH21 ARG 47 HH21 ARG 47 3.310 56.160 45.957 374 HH22 ARG 47 HH22 ARG 47 2.032 57.286 46.266 375 HA PRO 48 HA PRO 48 2.397 58.110 54.740 376 HB2 PRO 48 HB2 PRO 48 0.086 58.088 53.316 377 HB3 PRO 48 HB3 PRO 48 0.804 59.570 53.960 378 HG2 PRO 48 HG2 PRO 48 0.944 58.447 51.188 379 HG3 PRO 48 HG3 PRO 48 0.686 60.124 51.704 380 HD2 PRO 48 HD2 PRO 48 3.091 59.214 50.855 381 HD3 PRO 48 HD3 PRO 48 2.931 60.484 52.085 382 H ASP 49 H ASP 49 1.845 56.811 51.460 383 HA ASP 49 HA ASP 49 0.661 54.422 52.091 384 HB2 ASP 49 HB2 ASP 49 1.093 55.326 49.783 385 HB3 ASP 49 HB3 ASP 49 2.749 54.741 49.928 386 H GLU 50 H GLU 50 4.008 55.322 52.454 387 HA GLU 50 HA GLU 50 4.811 52.590 53.062 388 HB2 GLU 50 HB2 GLU 50 6.225 55.164 52.578 389 HB3 GLU 50 HB3 GLU 50 7.029 53.974 53.591 390 HG2 GLU 50 HG2 GLU 50 5.953 52.798 51.172 391 HG3 GLU 50 HG3 GLU 50 7.090 54.103 50.837 392 H PHE 51 H PHE 51 3.859 55.479 54.679 393 HA PHE 51 HA PHE 51 5.083 55.409 57.108 394 HD1 PHE 51 HD1 PHE 51 2.701 54.961 59.376 395 HD2 PHE 51 HD2 PHE 51 0.620 56.299 55.913 396 HE1 PHE 51 HE1 PHE 51 0.589 54.132 60.329 397 HE2 PHE 51 HE2 PHE 51 -1.495 55.473 56.860 398 HZ PHE 51 HZ PHE 51 -1.513 54.386 59.070 399 HB2 PHE 51 HB2 PHE 51 3.510 56.906 57.694 400 HB3 PHE 51 HB3 PHE 51 2.868 56.688 56.069 401 H THR 52 H THR 52 2.459 53.324 56.005 402 HA THR 52 HA THR 52 2.201 51.979 58.532 403 HB THR 52 HB THR 52 0.532 50.650 57.537 404 HG1 THR 52 HG1 THR 52 1.930 51.199 55.152 405 HG21 THR 52 HG21 THR 52 0.627 53.474 56.693 406 HG22 THR 52 HG22 THR 52 -0.611 52.602 57.594 407 HG23 THR 52 HG23 THR 52 -0.535 52.461 55.838 408 H ALA 53 H ALA 53 4.154 51.629 55.717 409 HA ALA 53 HA ALA 53 4.747 48.855 55.986 410 HB1 ALA 53 HB1 ALA 53 6.645 50.761 54.697 411 HB2 ALA 53 HB2 ALA 53 6.189 49.126 54.215 412 HB3 ALA 53 HB3 ALA 53 5.072 50.467 53.957 413 H ARG 54 H ARG 54 5.794 51.673 57.627 414 HA ARG 54 HA ARG 54 8.373 50.795 58.423 415 HE ARG 54 HE ARG 54 11.049 51.885 59.071 416 HB2 ARG 54 HB2 ARG 54 7.259 53.171 58.514 417 HB3 ARG 54 HB3 ARG 54 6.730 52.647 60.107 418 HG2 ARG 54 HG2 ARG 54 8.679 53.621 60.704 419 HG3 ARG 54 HG3 ARG 54 9.304 52.017 60.319 420 HD2 ARG 54 HD2 ARG 54 9.233 53.450 57.900 421 HD3 ARG 54 HD3 ARG 54 9.910 54.543 59.106 422 HH11 ARG 54 HH11 ARG 54 11.254 55.160 57.907 423 HH12 ARG 54 HH12 ARG 54 12.938 55.053 57.514 424 HH21 ARG 54 HH21 ARG 54 13.267 51.732 58.557 425 HH22 ARG 54 HH22 ARG 54 14.083 53.102 57.884 426 H LEU 55 H LEU 55 5.434 51.137 60.420 427 HA LEU 55 HA LEU 55 6.464 49.382 62.432 428 HG LEU 55 HG LEU 55 2.512 50.982 62.708 429 HB2 LEU 55 HB2 LEU 55 4.454 49.785 63.607 430 HB3 LEU 55 HB3 LEU 55 4.904 51.303 62.831 431 HD11 LEU 55 HD11 LEU 55 2.195 51.299 60.359 432 HD12 LEU 55 HD12 LEU 55 3.714 50.483 59.991 433 HD13 LEU 55 HD13 LEU 55 3.728 52.043 60.813 434 HD21 LEU 55 HD21 LEU 55 1.481 49.060 62.171 435 HD22 LEU 55 HD22 LEU 55 3.036 48.324 62.555 436 HD23 LEU 55 HD23 LEU 55 2.622 48.687 60.880 437 H GLN 56 H GLN 56 4.723 48.954 59.523 438 HA GLN 56 HA GLN 56 3.133 46.755 59.982 439 HB2 GLN 56 HB2 GLN 56 2.942 47.578 57.834 440 HB3 GLN 56 HB3 GLN 56 4.681 47.718 57.618 441 HG2 GLN 56 HG2 GLN 56 4.876 45.645 56.802 442 HG3 GLN 56 HG3 GLN 56 3.719 44.973 57.949 443 HE21 GLN 56 HE21 GLN 56 3.946 44.410 55.141 444 HE22 GLN 56 HE22 GLN 56 2.446 44.862 54.415 445 H GLN 57 H GLN 57 6.621 46.859 59.425 446 HA GLN 57 HA GLN 57 6.844 43.975 59.619 447 HB2 GLN 57 HB2 GLN 57 9.184 44.288 59.157 448 HB3 GLN 57 HB3 GLN 57 8.259 45.302 58.057 449 HG2 GLN 57 HG2 GLN 57 8.868 47.262 59.152 450 HG3 GLN 57 HG3 GLN 57 9.352 46.403 60.614 451 HE21 GLN 57 HE21 GLN 57 10.842 48.329 59.031 452 HE22 GLN 57 HE22 GLN 57 12.288 47.528 58.528 453 H SER 58 H SER 58 7.052 46.720 61.678 454 HA SER 58 HA SER 58 8.696 45.518 63.693 455 HG SER 58 HG SER 58 9.357 48.450 64.652 456 HB2 SER 58 HB2 SER 58 7.919 48.086 63.159 457 HB3 SER 58 HB3 SER 58 6.895 47.688 64.539 458 H THR 59 H THR 59 5.250 46.444 63.690 459 HA THR 59 HA THR 59 4.404 45.347 66.017 460 HB THR 59 HB THR 59 2.929 45.195 63.381 461 HG1 THR 59 HG1 THR 59 3.097 47.163 65.424 462 HG21 THR 59 HG21 THR 59 2.199 44.428 66.125 463 HG22 THR 59 HG22 THR 59 1.512 43.915 64.583 464 HG23 THR 59 HG23 THR 59 1.024 45.451 65.299 465 H ASP 60 H ASP 60 5.443 43.629 63.188 466 HA ASP 60 HA ASP 60 4.302 41.166 63.388 467 HB2 ASP 60 HB2 ASP 60 6.556 42.232 62.113 468 HB3 ASP 60 HB3 ASP 60 7.157 40.850 63.025 469 H ALA 61 H ALA 61 6.635 42.586 65.552 470 HA ALA 61 HA ALA 61 7.495 40.272 66.889 471 HB1 ALA 61 HB1 ALA 61 8.821 41.869 67.693 472 HB2 ALA 61 HB2 ALA 61 7.668 43.139 67.282 473 HB3 ALA 61 HB3 ALA 61 7.511 42.266 68.808 474 H LEU 62 H LEU 62 4.707 42.379 67.410 475 HA LEU 62 HA LEU 62 3.842 40.828 69.708 476 HG LEU 62 HG LEU 62 1.582 42.003 70.803 477 HB2 LEU 62 HB2 LEU 62 3.565 43.445 69.048 478 HB3 LEU 62 HB3 LEU 62 2.003 42.804 68.544 479 HD11 LEU 62 HD11 LEU 62 3.444 43.218 72.417 480 HD12 LEU 62 HD12 LEU 62 4.424 42.559 71.107 481 HD13 LEU 62 HD13 LEU 62 3.368 41.497 72.038 482 HD21 LEU 62 HD21 LEU 62 1.182 44.098 71.833 483 HD22 LEU 62 HD22 LEU 62 1.046 44.362 70.094 484 HD23 LEU 62 HD23 LEU 62 2.504 44.864 70.950 485 H TYR 63 H TYR 63 2.940 41.342 66.346 486 HA TYR 63 HA TYR 63 0.486 39.984 66.366 487 HD1 TYR 63 HD1 TYR 63 3.420 38.818 63.405 488 HD2 TYR 63 HD2 TYR 63 -0.784 39.464 63.332 489 HE1 TYR 63 HE1 TYR 63 3.181 37.028 61.736 490 HE2 TYR 63 HE2 TYR 63 -1.036 37.675 61.663 491 HH TYR 63 HH TYR 63 0.321 36.532 59.971 492 HB2 TYR 63 HB2 TYR 63 0.671 41.060 64.377 493 HB3 TYR 63 HB3 TYR 63 2.420 40.873 64.321 494 H SER 64 H SER 64 3.781 38.829 65.761 495 HA SER 64 HA SER 64 2.885 36.105 65.391 496 HG SER 64 HG SER 64 5.510 35.791 63.437 497 HB2 SER 64 HB2 SER 64 5.152 37.556 64.631 498 HB3 SER 64 HB3 SER 64 5.741 36.392 65.818 499 H HIS 65 H HIS 65 4.383 38.045 67.902 500 HA HIS 65 HA HIS 65 5.219 36.046 69.643 501 HD1 HIS 65 HD1 HIS 65 2.983 39.178 72.130 502 HD2 HIS 65 HD2 HIS 65 6.123 36.505 72.635 503 HE1 HIS 65 HE1 HIS 65 3.013 38.631 74.585 504 HB2 HIS 65 HB2 HIS 65 5.909 38.193 70.233 505 HB3 HIS 65 HB3 HIS 65 4.295 38.871 70.043 506 H LEU 66 H LEU 66 2.082 37.729 69.561 507 HA LEU 66 HA LEU 66 0.934 36.117 71.609 508 HG LEU 66 HG LEU 66 -1.651 36.264 71.549 509 HB2 LEU 66 HB2 LEU 66 0.223 38.442 70.924 510 HB3 LEU 66 HB3 LEU 66 -0.549 37.701 69.525 511 HD11 LEU 66 HD11 LEU 66 -2.397 38.092 73.170 512 HD12 LEU 66 HD12 LEU 66 -1.001 39.000 72.594 513 HD13 LEU 66 HD13 LEU 66 -0.773 37.435 73.373 514 HD21 LEU 66 HD21 LEU 66 -2.460 38.639 69.969 515 HD22 LEU 66 HD22 LEU 66 -3.491 38.167 71.320 516 HD23 LEU 66 HD23 LEU 66 -3.156 37.019 70.023 517 H GLU 67 H GLU 67 0.329 36.271 68.095 518 HA GLU 67 HA GLU 67 -1.401 34.119 67.900 519 HB2 GLU 67 HB2 GLU 67 -0.819 35.751 66.080 520 HB3 GLU 67 HB3 GLU 67 0.678 34.862 65.840 521 HG2 GLU 67 HG2 GLU 67 -0.749 32.819 65.434 522 HG3 GLU 67 HG3 GLU 67 -2.130 33.913 65.376 523 H ALA 68 H ALA 68 2.096 34.160 68.119 524 HA ALA 68 HA ALA 68 2.344 31.331 67.572 525 HB1 ALA 68 HB1 ALA 68 4.081 32.979 66.904 526 HB2 ALA 68 HB2 ALA 68 4.444 33.228 68.611 527 HB3 ALA 68 HB3 ALA 68 4.703 31.645 67.875 528 H GLN 69 H GLN 69 3.200 33.377 70.373 529 HA GLN 69 HA GLN 69 3.571 31.246 72.160 530 HB2 GLN 69 HB2 GLN 69 4.141 33.831 72.310 531 HB3 GLN 69 HB3 GLN 69 2.609 33.881 73.173 532 HG2 GLN 69 HG2 GLN 69 4.972 32.161 73.894 533 HG3 GLN 69 HG3 GLN 69 4.512 33.667 74.686 534 HE21 GLN 69 HE21 GLN 69 3.225 33.538 76.385 535 HE22 GLN 69 HE22 GLN 69 2.284 32.162 76.838 536 H TRP 70 H TRP 70 0.804 33.482 71.891 537 HA TRP 70 HA TRP 70 -0.869 32.392 73.761 538 HD1 TRP 70 HD1 TRP 70 -4.394 32.658 71.360 539 HE1 TRP 70 HE1 TRP 70 -6.199 33.141 73.131 540 HE3 TRP 70 HE3 TRP 70 -1.454 34.797 74.955 541 HZ2 TRP 70 HZ2 TRP 70 -6.356 34.280 75.708 542 HZ3 TRP 70 HZ3 TRP 70 -2.510 35.558 77.044 543 HH2 TRP 70 HH2 TRP 70 -4.910 35.303 77.410 544 HB2 TRP 70 HB2 TRP 70 -1.239 34.427 72.233 545 HB3 TRP 70 HB3 TRP 70 -1.906 33.279 71.076 546 H ALA 71 H ALA 71 -0.104 31.149 70.583 547 HA ALA 71 HA ALA 71 -2.174 29.311 70.252 548 HB1 ALA 71 HB1 ALA 71 -0.168 30.021 68.699 549 HB2 ALA 71 HB2 ALA 71 0.569 28.569 69.374 550 HB3 ALA 71 HB3 ALA 71 -0.964 28.460 68.509 551 H LYS 72 H LYS 72 0.846 29.056 72.056 552 HA LYS 72 HA LYS 72 0.973 26.375 72.602 553 HB2 LYS 72 HB2 LYS 72 2.167 28.696 73.608 554 HB3 LYS 72 HB3 LYS 72 1.473 27.900 75.015 555 HG2 LYS 72 HG2 LYS 72 3.586 26.993 74.930 556 HG3 LYS 72 HG3 LYS 72 2.629 25.779 74.078 557 HD2 LYS 72 HD2 LYS 72 4.564 26.109 72.766 558 HD3 LYS 72 HD3 LYS 72 3.272 26.982 71.939 559 HE2 LYS 72 HE2 LYS 72 4.109 29.052 72.544 560 HE3 LYS 72 HE3 LYS 72 4.996 28.403 73.923 561 HZ1 LYS 72 HZ1 LYS 72 5.709 28.275 71.059 562 HZ2 LYS 72 HZ2 LYS 72 6.395 27.214 72.184 563 HZ3 LYS 72 HZ3 LYS 72 6.621 28.883 72.347 564 H GLN 73 H GLN 73 -1.440 28.598 73.597 565 HA GLN 73 HA GLN 73 -2.375 27.035 75.833 566 HB2 GLN 73 HB2 GLN 73 -2.909 29.643 74.709 567 HB3 GLN 73 HB3 GLN 73 -4.411 28.794 75.044 568 HG2 GLN 73 HG2 GLN 73 -2.301 28.829 77.136 569 HG3 GLN 73 HG3 GLN 73 -3.246 30.292 76.857 570 HE21 GLN 73 HE21 GLN 73 -3.125 28.381 79.132 571 HE22 GLN 73 HE22 GLN 73 -4.762 27.898 79.398 572 H HIS 74 H HIS 74 -3.851 27.956 72.717 573 HA HIS 74 HA HIS 74 -5.148 25.316 72.654 574 HD1 HIS 74 HD1 HIS 74 -7.163 25.179 74.421 575 HD2 HIS 74 HD2 HIS 74 -7.093 29.317 74.057 576 HE1 HIS 74 HE1 HIS 74 -7.908 26.062 76.654 577 HB2 HIS 74 HB2 HIS 74 -6.490 27.903 71.843 578 HB3 HIS 74 HB3 HIS 74 -7.214 26.297 71.853 579 H GLY 75 H GLY 75 -4.506 28.236 70.703 580 HA2 GLY 75 HA2 GLY 75 -3.391 28.337 68.654 581 HA3 GLY 75 HA3 GLY 75 -3.366 26.581 68.608 582 H THR 76 H THR 76 -6.441 27.665 69.354 583 HA THR 76 HA THR 76 -7.334 27.107 66.625 584 HB THR 76 HB THR 76 -9.010 26.018 67.601 585 HG1 THR 76 HG1 THR 76 -10.208 27.940 67.562 586 HG21 THR 76 HG21 THR 76 -7.474 25.580 69.438 587 HG22 THR 76 HG22 THR 76 -9.115 25.779 70.053 588 HG23 THR 76 HG23 THR 76 -7.945 27.090 70.217 589 HA PRO 77 HA PRO 77 -9.578 31.279 67.575 590 HB2 PRO 77 HB2 PRO 77 -8.868 32.588 69.846 591 HB3 PRO 77 HB3 PRO 77 -10.174 31.397 69.790 592 HG2 PRO 77 HG2 PRO 77 -7.343 31.064 70.706 593 HG3 PRO 77 HG3 PRO 77 -8.837 30.457 71.444 594 HD2 PRO 77 HD2 PRO 77 -7.220 28.896 69.933 595 HD3 PRO 77 HD3 PRO 77 -8.980 28.675 69.989 596 HA PRO 78 HA PRO 78 -5.241 33.516 67.918 597 HB2 PRO 78 HB2 PRO 78 -3.139 31.815 67.674 598 HB3 PRO 78 HB3 PRO 78 -3.819 32.283 69.237 599 HG2 PRO 78 HG2 PRO 78 -4.282 29.795 67.637 600 HG3 PRO 78 HG3 PRO 78 -4.021 29.971 69.382 601 HD2 PRO 78 HD2 PRO 78 -6.481 29.628 68.306 602 HD3 PRO 78 HD3 PRO 78 -6.207 30.585 69.776 603 H THR 79 H THR 79 -5.707 34.312 65.906 604 HA THR 79 HA THR 79 -4.475 32.899 63.647 605 HB THR 79 HB THR 79 -7.044 34.345 63.157 606 HG1 THR 79 HG1 THR 79 -6.812 31.685 64.158 607 HG21 THR 79 HG21 THR 79 -6.811 31.920 61.732 608 HG22 THR 79 HG22 THR 79 -5.224 32.686 61.695 609 HG23 THR 79 HG23 THR 79 -6.639 33.562 61.112 610 H ALA 80 H ALA 80 -4.002 34.296 61.814 611 HA ALA 80 HA ALA 80 -2.675 36.627 62.488 612 HB1 ALA 80 HB1 ALA 80 -3.324 37.009 59.836 613 HB2 ALA 80 HB2 ALA 80 -1.926 36.124 60.448 614 HB3 ALA 80 HB3 ALA 80 -3.405 35.258 60.030 615 H SER 81 H SER 81 -6.029 36.151 61.638 616 HA SER 81 HA SER 81 -6.582 38.949 61.263 617 HG SER 81 HG SER 81 -8.652 38.124 59.322 618 HB2 SER 81 HB2 SER 81 -8.294 36.477 61.426 619 HB3 SER 81 HB3 SER 81 -9.012 38.086 61.382 620 H ASP 82 H ASP 82 -7.469 36.544 63.739 621 HA ASP 82 HA ASP 82 -8.711 38.347 65.495 622 HB2 ASP 82 HB2 ASP 82 -7.265 35.818 66.297 623 HB3 ASP 82 HB3 ASP 82 -8.600 36.602 67.139 624 H VAL 83 H VAL 83 -5.450 36.913 65.724 625 HA VAL 83 HA VAL 83 -4.435 38.150 67.896 626 HB VAL 83 HB VAL 83 -2.916 37.948 65.293 627 HG11 VAL 83 HG11 VAL 83 -2.196 38.712 67.992 628 HG12 VAL 83 HG12 VAL 83 -1.247 37.337 67.422 629 HG13 VAL 83 HG13 VAL 83 -1.268 38.839 66.498 630 HG21 VAL 83 HG21 VAL 83 -2.487 35.793 67.170 631 HG22 VAL 83 HG22 VAL 83 -4.176 35.888 66.671 632 HG23 VAL 83 HG23 VAL 83 -2.906 35.727 65.459 633 H VAL 84 H VAL 84 -4.994 39.636 64.759 634 HA VAL 84 HA VAL 84 -3.599 41.990 64.963 635 HB VAL 84 HB VAL 84 -6.384 41.646 63.844 636 HG11 VAL 84 HG11 VAL 84 -5.264 44.018 64.342 637 HG12 VAL 84 HG12 VAL 84 -4.521 43.682 62.777 638 HG13 VAL 84 HG13 VAL 84 -6.277 43.719 62.930 639 HG21 VAL 84 HG21 VAL 84 -4.393 41.845 61.837 640 HG22 VAL 84 HG22 VAL 84 -3.866 40.628 62.999 641 HG23 VAL 84 HG23 VAL 84 -5.436 40.474 62.212 642 H GLY 85 H GLY 85 -6.805 41.266 66.308 643 HA2 GLY 85 HA2 GLY 85 -6.450 43.571 68.112 644 HA3 GLY 85 HA3 GLY 85 -7.975 43.321 67.275 645 H MET 86 H MET 86 -6.406 40.443 68.182 646 HA MET 86 HA MET 86 -8.506 39.762 69.997 647 HB2 MET 86 HB2 MET 86 -7.737 37.925 68.805 648 HB3 MET 86 HB3 MET 86 -6.050 38.389 68.976 649 HG2 MET 86 HG2 MET 86 -5.842 37.422 71.021 650 HG3 MET 86 HG3 MET 86 -7.535 37.681 71.439 651 HE1 MET 86 HE1 MET 86 -5.338 35.016 71.502 652 HE2 MET 86 HE2 MET 86 -5.700 33.841 70.237 653 HE3 MET 86 HE3 MET 86 -4.899 35.359 69.828 654 HA PRO 87 HA PRO 87 -4.860 40.040 73.197 655 HB2 PRO 87 HB2 PRO 87 -2.753 41.583 72.453 656 HB3 PRO 87 HB3 PRO 87 -2.830 39.845 72.139 657 HG2 PRO 87 HG2 PRO 87 -3.421 42.130 70.297 658 HG3 PRO 87 HG3 PRO 87 -2.524 40.634 69.973 659 HD2 PRO 87 HD2 PRO 87 -5.100 40.981 69.215 660 HD3 PRO 87 HD3 PRO 87 -4.446 39.396 69.677 661 H GLN 88 H GLN 88 -3.561 42.182 74.160 662 HA GLN 88 HA GLN 88 -5.680 44.017 74.710 663 HB2 GLN 88 HB2 GLN 88 -4.000 45.162 76.129 664 HB3 GLN 88 HB3 GLN 88 -4.124 43.440 76.465 665 HG2 GLN 88 HG2 GLN 88 -2.142 43.290 74.751 666 HG3 GLN 88 HG3 GLN 88 -1.909 44.975 75.212 667 HE21 GLN 88 HE21 GLN 88 -2.295 41.733 76.564 668 HE22 GLN 88 HE22 GLN 88 -1.277 41.991 77.935 669 H TRP 89 H TRP 89 -2.496 44.363 73.153 670 HA TRP 89 HA TRP 89 -2.451 46.988 72.505 671 HD1 TRP 89 HD1 TRP 89 -3.038 46.253 68.839 672 HE1 TRP 89 HE1 TRP 89 -3.144 44.366 67.092 673 HE3 TRP 89 HE3 TRP 89 -0.159 42.769 71.230 674 HZ2 TRP 89 HZ2 TRP 89 -2.141 41.747 66.769 675 HZ3 TRP 89 HZ3 TRP 89 0.219 40.598 70.134 676 HH2 TRP 89 HH2 TRP 89 -0.753 40.101 67.950 677 HB2 TRP 89 HB2 TRP 89 -0.880 46.480 70.896 678 HB3 TRP 89 HB3 TRP 89 -0.879 44.980 71.822 679 H GLN 90 H GLN 90 -4.724 44.676 71.383 680 HA GLN 90 HA GLN 90 -5.583 45.481 68.956 681 HB2 GLN 90 HB2 GLN 90 -6.761 43.727 70.022 682 HB3 GLN 90 HB3 GLN 90 -7.196 44.744 71.389 683 HG2 GLN 90 HG2 GLN 90 -8.484 46.134 69.622 684 HG3 GLN 90 HG3 GLN 90 -8.356 44.675 68.640 685 HE21 GLN 90 HE21 GLN 90 -10.601 44.410 68.685 686 HE22 GLN 90 HE22 GLN 90 -11.419 43.824 70.089 687 H GLU 91 H GLU 91 -6.807 46.946 71.973 688 HA GLU 91 HA GLU 91 -7.888 49.188 70.502 689 HB2 GLU 91 HB2 GLU 91 -8.511 47.947 72.910 690 HB3 GLU 91 HB3 GLU 91 -7.827 49.492 73.396 691 HG2 GLU 91 HG2 GLU 91 -9.445 50.691 72.110 692 HG3 GLU 91 HG3 GLU 91 -10.048 49.199 71.391 693 H TYR 92 H TYR 92 -5.139 48.499 72.560 694 HA TYR 92 HA TYR 92 -4.284 51.040 73.220 695 HD1 TYR 92 HD1 TYR 92 -0.835 51.245 73.251 696 HD2 TYR 92 HD2 TYR 92 -3.503 49.092 75.771 697 HE1 TYR 92 HE1 TYR 92 0.181 52.305 75.225 698 HE2 TYR 92 HE2 TYR 92 -2.496 50.147 77.751 699 HH TYR 92 HH TYR 92 -0.609 51.294 78.467 700 HB2 TYR 92 HB2 TYR 92 -3.258 48.486 73.461 701 HB3 TYR 92 HB3 TYR 92 -2.081 49.288 72.426 702 H THR 93 H THR 93 -3.046 49.148 70.459 703 HA THR 93 HA THR 93 -1.718 51.303 69.240 704 HB THR 93 HB THR 93 -1.675 49.891 67.198 705 HG1 THR 93 HG1 THR 93 -2.929 48.162 67.034 706 HG21 THR 93 HG21 THR 93 -0.621 49.245 69.789 707 HG22 THR 93 HG22 THR 93 0.113 49.019 68.202 708 HG23 THR 93 HG23 THR 93 -0.924 47.765 68.880 709 H ALA 94 H ALA 94 -4.935 49.922 68.679 710 HA ALA 94 HA ALA 94 -5.664 51.476 66.476 711 HB1 ALA 94 HB1 ALA 94 -8.045 51.104 67.686 712 HB2 ALA 94 HB2 ALA 94 -7.219 49.868 66.736 713 HB3 ALA 94 HB3 ALA 94 -7.081 49.868 68.495 714 H MET 95 H MET 95 -5.784 52.169 69.925 715 HA MET 95 HA MET 95 -7.340 54.523 69.760 716 HB2 MET 95 HB2 MET 95 -5.776 53.123 71.789 717 HB3 MET 95 HB3 MET 95 -5.704 54.871 71.965 718 HG2 MET 95 HG2 MET 95 -8.346 54.550 71.588 719 HG3 MET 95 HG3 MET 95 -7.951 53.017 72.361 720 HE1 MET 95 HE1 MET 95 -9.590 56.153 74.202 721 HE2 MET 95 HE2 MET 95 -8.227 57.156 73.699 722 HE3 MET 95 HE3 MET 95 -9.092 56.183 72.509 723 H LEU 96 H LEU 96 -3.990 53.858 69.168 724 HA LEU 96 HA LEU 96 -3.157 56.615 69.317 725 HG LEU 96 HG LEU 96 -2.286 53.155 69.616 726 HB2 LEU 96 HB2 LEU 96 -1.492 54.647 67.876 727 HB3 LEU 96 HB3 LEU 96 -1.039 55.851 69.082 728 HD11 LEU 96 HD11 LEU 96 -0.145 52.526 69.368 729 HD12 LEU 96 HD12 LEU 96 0.058 53.237 70.970 730 HD13 LEU 96 HD13 LEU 96 0.467 54.173 69.532 731 HD21 LEU 96 HD21 LEU 96 -1.345 55.215 71.605 732 HD22 LEU 96 HD22 LEU 96 -2.120 53.667 71.947 733 HD23 LEU 96 HD23 LEU 96 -3.036 54.958 71.167 734 H ARG 97 H ARG 97 -3.260 54.230 66.661 735 HA ARG 97 HA ARG 97 -2.864 56.108 64.606 736 HE ARG 97 HE ARG 97 -2.277 51.073 63.302 737 HB2 ARG 97 HB2 ARG 97 -3.900 54.265 63.154 738 HB3 ARG 97 HB3 ARG 97 -2.432 53.873 64.039 739 HG2 ARG 97 HG2 ARG 97 -4.620 53.238 65.713 740 HG3 ARG 97 HG3 ARG 97 -4.960 52.580 64.111 741 HD2 ARG 97 HD2 ARG 97 -2.254 52.198 65.307 742 HD3 ARG 97 HD3 ARG 97 -3.592 51.195 65.867 743 HH11 ARG 97 HH11 ARG 97 -5.125 50.271 65.135 744 HH12 ARG 97 HH12 ARG 97 -5.596 48.976 64.083 745 HH21 ARG 97 HH21 ARG 97 -2.886 49.371 61.910 746 HH22 ARG 97 HH22 ARG 97 -4.322 48.466 62.250 747 H GLU 98 H GLU 98 -5.745 54.991 66.248 748 HA GLU 98 HA GLU 98 -7.536 56.270 64.374 749 HB2 GLU 98 HB2 GLU 98 -8.043 54.153 65.704 750 HB3 GLU 98 HB3 GLU 98 -8.249 55.200 67.100 751 HG2 GLU 98 HG2 GLU 98 -10.126 56.250 66.181 752 HG3 GLU 98 HG3 GLU 98 -9.779 55.641 64.563 753 H ARG 99 H ARG 99 -6.767 56.718 67.828 754 HA ARG 99 HA ARG 99 -8.052 59.306 67.850 755 HE ARG 99 HE ARG 99 -10.372 60.552 71.237 756 HB2 ARG 99 HB2 ARG 99 -7.663 57.425 69.770 757 HB3 ARG 99 HB3 ARG 99 -6.350 58.536 70.135 758 HG2 ARG 99 HG2 ARG 99 -7.899 59.571 71.378 759 HG3 ARG 99 HG3 ARG 99 -8.401 60.270 69.837 760 HD2 ARG 99 HD2 ARG 99 -9.958 58.298 69.592 761 HD3 ARG 99 HD3 ARG 99 -9.579 57.898 71.268 762 HH11 ARG 99 HH11 ARG 99 -11.744 57.441 70.488 763 HH12 ARG 99 HH12 ARG 99 -13.362 57.912 70.891 764 HH21 ARG 99 HH21 ARG 99 -12.499 61.184 71.770 765 HH22 ARG 99 HH22 ARG 99 -13.790 60.042 71.619 766 H PHE 100 H PHE 100 -4.742 58.112 68.418 767 HA PHE 100 HA PHE 100 -2.711 59.129 68.274 768 HD1 PHE 100 HD1 PHE 100 -1.501 58.180 66.899 769 HD2 PHE 100 HD2 PHE 100 -1.952 62.008 65.096 770 HE1 PHE 100 HE1 PHE 100 0.851 58.114 66.178 771 HE2 PHE 100 HE2 PHE 100 0.398 61.949 64.372 772 HZ PHE 100 HZ PHE 100 1.802 60.000 64.911 773 HB2 PHE 100 HB2 PHE 100 -3.873 59.438 65.877 774 HB3 PHE 100 HB3 PHE 100 -3.696 61.134 66.315 775 H ALA 101 H ALA 101 -4.395 60.083 70.316 776 HA ALA 101 HA ALA 101 -3.654 62.935 70.424 777 HB1 ALA 101 HB1 ALA 101 -5.995 61.482 71.624 778 HB2 ALA 101 HB2 ALA 101 -5.494 63.084 72.164 779 HB3 ALA 101 HB3 ALA 101 -6.006 62.835 70.493 780 H GLY 102 H GLY 102 -2.277 63.564 71.969 781 HA2 GLY 102 HA2 GLY 102 -1.454 63.538 74.216 782 HA3 GLY 102 HA3 GLY 102 -1.914 61.846 74.327 783 H LEU 103 H LEU 103 -0.752 60.565 72.370 784 HA LEU 103 HA LEU 103 1.820 60.105 73.062 785 HG LEU 103 HG LEU 103 -0.564 60.565 70.464 786 HB2 LEU 103 HB2 LEU 103 2.130 59.478 70.552 787 HB3 LEU 103 HB3 LEU 103 1.010 58.572 71.567 788 HD11 LEU 103 HD11 LEU 103 -0.139 60.338 68.033 789 HD12 LEU 103 HD12 LEU 103 1.384 59.534 68.410 790 HD13 LEU 103 HD13 LEU 103 1.130 61.212 68.891 791 HD21 LEU 103 HD21 LEU 103 -0.833 58.303 68.840 792 HD22 LEU 103 HD22 LEU 103 -1.751 58.697 70.293 793 HD23 LEU 103 HD23 LEU 103 -0.299 57.702 70.411 794 H ASP 104 H ASP 104 0.656 62.711 71.048 795 HA ASP 104 HA ASP 104 2.775 63.625 69.672 796 HB2 ASP 104 HB2 ASP 104 0.687 65.058 71.259 797 HB3 ASP 104 HB3 ASP 104 2.009 65.995 70.566 798 H THR 105 H THR 105 2.424 63.735 73.166 799 HA THR 105 HA THR 105 4.262 65.440 74.083 800 HB THR 105 HB THR 105 4.922 63.736 75.825 801 HG1 THR 105 HG1 THR 105 3.358 61.820 75.609 802 HG21 THR 105 HG21 THR 105 2.779 65.226 75.759 803 HG22 THR 105 HG22 THR 105 2.914 63.941 76.958 804 HG23 THR 105 HG23 THR 105 1.948 63.691 75.504 805 H ILE 106 H ILE 106 5.087 62.238 72.765 806 HA ILE 106 HA ILE 106 7.749 63.276 72.109 807 HB ILE 106 HB ILE 106 8.910 61.416 72.973 808 HG12 ILE 106 HG12 ILE 106 7.238 59.711 72.266 809 HG13 ILE 106 HG13 ILE 106 7.863 59.434 73.888 810 HG21 ILE 106 HG21 ILE 106 8.010 61.311 75.407 811 HG22 ILE 106 HG22 ILE 106 8.606 62.841 74.765 812 HG23 ILE 106 HG23 ILE 106 6.871 62.536 74.848 813 HD11 ILE 106 HD11 ILE 106 5.647 59.078 74.240 814 HD12 ILE 106 HD12 ILE 106 5.730 60.807 74.577 815 HD13 ILE 106 HD13 ILE 106 5.149 60.241 73.011 Start of MODEL 6 1 H LYS 1 H LYS 1 36.325 74.551 58.605 2 HA LYS 1 HA LYS 1 35.878 73.510 56.071 3 HB2 LYS 1 HB2 LYS 1 38.115 74.264 57.627 4 HB3 LYS 1 HB3 LYS 1 38.443 72.643 57.030 5 HG2 LYS 1 HG2 LYS 1 37.400 74.097 54.861 6 HG3 LYS 1 HG3 LYS 1 38.587 75.138 55.650 7 HD2 LYS 1 HD2 LYS 1 40.225 73.293 55.549 8 HD3 LYS 1 HD3 LYS 1 39.037 72.312 54.690 9 HE2 LYS 1 HE2 LYS 1 39.131 73.648 52.786 10 HE3 LYS 1 HE3 LYS 1 39.819 75.014 53.661 11 HZ1 LYS 1 HZ1 LYS 1 41.276 72.466 53.257 12 HZ2 LYS 1 HZ2 LYS 1 41.901 73.944 53.789 13 HZ3 LYS 1 HZ3 LYS 1 41.392 73.770 52.186 14 H GLN 2 H GLN 2 36.814 71.803 59.044 15 HA GLN 2 HA GLN 2 36.824 69.229 57.811 16 HB2 GLN 2 HB2 GLN 2 36.939 70.210 60.645 17 HB3 GLN 2 HB3 GLN 2 36.725 68.497 60.307 18 HG2 GLN 2 HG2 GLN 2 38.874 68.230 59.834 19 HG3 GLN 2 HG3 GLN 2 38.886 69.625 58.756 20 HE21 GLN 2 HE21 GLN 2 40.357 71.042 59.322 21 HE22 GLN 2 HE22 GLN 2 40.804 71.466 60.936 22 H GLN 3 H GLN 3 34.534 70.946 59.912 23 HA GLN 3 HA GLN 3 32.333 70.601 60.380 24 HB2 GLN 3 HB2 GLN 3 32.628 70.485 57.624 25 HB3 GLN 3 HB3 GLN 3 31.679 69.053 58.000 26 HG2 GLN 3 HG2 GLN 3 30.112 70.729 57.575 27 HG3 GLN 3 HG3 GLN 3 30.162 70.585 59.331 28 HE21 GLN 3 HE21 GLN 3 31.954 72.330 56.807 29 HE22 GLN 3 HE22 GLN 3 31.915 73.863 57.604 30 H LEU 4 H LEU 4 34.035 68.725 61.503 31 HA LEU 4 HA LEU 4 33.037 66.068 61.042 32 HG LEU 4 HG LEU 4 34.299 68.133 63.751 33 HB2 LEU 4 HB2 LEU 4 34.471 65.431 62.906 34 HB3 LEU 4 HB3 LEU 4 35.338 66.415 61.730 35 HD11 LEU 4 HD11 LEU 4 36.007 66.959 65.477 36 HD12 LEU 4 HD12 LEU 4 35.290 65.538 64.717 37 HD13 LEU 4 HD13 LEU 4 34.258 66.731 65.507 38 HD21 LEU 4 HD21 LEU 4 37.145 67.269 63.274 39 HD22 LEU 4 HD22 LEU 4 36.578 68.792 63.961 40 HD23 LEU 4 HD23 LEU 4 36.291 68.431 62.259 41 H GLN 5 H GLN 5 31.000 65.637 61.612 42 HA GLN 5 HA GLN 5 30.222 66.127 64.388 43 HB2 GLN 5 HB2 GLN 5 28.105 67.060 63.826 44 HB3 GLN 5 HB3 GLN 5 29.313 67.965 62.923 45 HG2 GLN 5 HG2 GLN 5 28.732 66.935 60.899 46 HG3 GLN 5 HG3 GLN 5 27.823 65.663 61.713 47 HE21 GLN 5 HE21 GLN 5 27.044 67.587 59.615 48 HE22 GLN 5 HE22 GLN 5 25.653 68.402 60.233 49 H GLU 6 H GLU 6 28.724 64.655 65.222 50 HA GLU 6 HA GLU 6 28.826 62.055 64.134 51 HB2 GLU 6 HB2 GLU 6 27.674 63.348 66.491 52 HB3 GLU 6 HB3 GLU 6 26.709 62.002 65.903 53 HG2 GLU 6 HG2 GLU 6 28.292 60.456 66.413 54 HG3 GLU 6 HG3 GLU 6 29.628 61.579 66.168 55 H HIS 7 H HIS 7 27.333 60.832 63.043 56 HA HIS 7 HA HIS 7 25.692 62.031 61.170 57 HD1 HIS 7 HD1 HIS 7 27.831 60.423 59.985 58 HD2 HIS 7 HD2 HIS 7 24.008 59.068 59.085 59 HE1 HIS 7 HE1 HIS 7 27.822 60.039 57.499 60 HB2 HIS 7 HB2 HIS 7 26.263 59.345 62.047 61 HB3 HIS 7 HB3 HIS 7 24.546 59.511 61.690 62 H ALA 8 H ALA 8 24.754 60.582 64.281 63 HA ALA 8 HA ALA 8 22.430 62.353 64.349 64 HB1 ALA 8 HB1 ALA 8 21.697 60.200 63.337 65 HB2 ALA 8 HB2 ALA 8 22.157 59.391 64.836 66 HB3 ALA 8 HB3 ALA 8 20.873 60.602 64.844 67 HA PRO 9 HA PRO 9 23.484 62.770 68.593 68 HB2 PRO 9 HB2 PRO 9 21.057 63.368 69.654 69 HB3 PRO 9 HB3 PRO 9 21.979 64.504 68.662 70 HG2 PRO 9 HG2 PRO 9 19.697 62.729 67.884 71 HG3 PRO 9 HG3 PRO 9 19.996 64.422 67.449 72 HD2 PRO 9 HD2 PRO 9 20.540 62.367 65.770 73 HD3 PRO 9 HD3 PRO 9 21.499 63.861 65.793 74 H SER 10 H SER 10 21.160 60.427 67.562 75 HA SER 10 HA SER 10 21.749 58.819 69.935 76 HG SER 10 HG SER 10 20.460 60.336 70.962 77 HB2 SER 10 HB2 SER 10 18.992 59.528 68.936 78 HB3 SER 10 HB3 SER 10 19.290 58.109 69.941 79 H HIS 11 H HIS 11 22.337 56.828 69.388 80 HA HIS 11 HA HIS 11 21.977 55.951 66.636 81 HD1 HIS 11 HD1 HIS 11 23.664 52.213 67.989 82 HD2 HIS 11 HD2 HIS 11 24.195 55.042 64.993 83 HE1 HIS 11 HE1 HIS 11 24.320 50.908 65.942 84 HB2 HIS 11 HB2 HIS 11 24.186 55.787 67.852 85 HB3 HIS 11 HB3 HIS 11 23.462 54.531 68.851 86 H ALA 12 H ALA 12 21.497 54.521 69.871 87 HA ALA 12 HA ALA 12 19.543 52.671 68.705 88 HB1 ALA 12 HB1 ALA 12 21.010 51.396 69.938 89 HB2 ALA 12 HB2 ALA 12 21.212 52.633 71.178 90 HB3 ALA 12 HB3 ALA 12 19.727 51.683 71.114 91 H ASN 13 H ASN 13 17.590 53.623 68.611 92 HA ASN 13 HA ASN 13 16.584 55.633 70.211 93 HB2 ASN 13 HB2 ASN 13 15.390 53.563 68.451 94 HB3 ASN 13 HB3 ASN 13 14.299 54.353 69.586 95 HD21 ASN 13 HD21 ASN 13 13.888 54.645 66.932 96 HD22 ASN 13 HD22 ASN 13 14.268 56.257 66.439 97 H LEU 14 H LEU 14 16.729 55.519 72.382 98 HA LEU 14 HA LEU 14 16.458 54.794 74.528 99 HG LEU 14 HG LEU 14 14.660 56.383 74.242 100 HB2 LEU 14 HB2 LEU 14 13.942 53.967 73.142 101 HB3 LEU 14 HB3 LEU 14 14.190 53.563 74.840 102 HD11 LEU 14 HD11 LEU 14 12.631 57.046 73.480 103 HD12 LEU 14 HD12 LEU 14 11.785 55.682 74.211 104 HD13 LEU 14 HD13 LEU 14 12.685 55.460 72.711 105 HD21 LEU 14 HD21 LEU 14 14.539 55.805 76.495 106 HD22 LEU 14 HD22 LEU 14 13.145 54.752 76.249 107 HD23 LEU 14 HD23 LEU 14 12.952 56.503 76.163 108 H ASP 15 H ASP 15 17.967 53.045 72.774 109 HA ASP 15 HA ASP 15 18.596 50.828 72.510 110 HB2 ASP 15 HB2 ASP 15 19.424 49.934 74.674 111 HB3 ASP 15 HB3 ASP 15 19.889 51.612 74.406 112 H VAL 16 H VAL 16 15.729 51.085 72.467 113 HA VAL 16 HA VAL 16 14.635 48.970 74.091 114 HB VAL 16 HB VAL 16 12.545 49.372 72.867 115 HG11 VAL 16 HG11 VAL 16 13.807 51.995 73.640 116 HG12 VAL 16 HG12 VAL 16 12.100 51.554 73.714 117 HG13 VAL 16 HG13 VAL 16 13.257 50.792 74.806 118 HG21 VAL 16 HG21 VAL 16 13.028 49.890 70.684 119 HG22 VAL 16 HG22 VAL 16 12.688 51.497 71.326 120 HG23 VAL 16 HG23 VAL 16 14.358 50.966 71.118 121 H LYS 17 H LYS 17 13.283 47.246 72.965 122 HA LYS 17 HA LYS 17 14.814 46.138 70.703 123 HB2 LYS 17 HB2 LYS 17 13.346 44.560 72.821 124 HB3 LYS 17 HB3 LYS 17 14.389 43.921 71.557 125 HG2 LYS 17 HG2 LYS 17 16.242 44.288 72.742 126 HG3 LYS 17 HG3 LYS 17 15.706 45.889 73.258 127 HD2 LYS 17 HD2 LYS 17 14.281 44.863 74.963 128 HD3 LYS 17 HD3 LYS 17 14.808 43.261 74.442 129 HE2 LYS 17 HE2 LYS 17 17.137 44.777 74.918 130 HE3 LYS 17 HE3 LYS 17 16.053 45.068 76.279 131 HZ1 LYS 17 HZ1 LYS 17 15.968 42.788 76.772 132 HZ2 LYS 17 HZ2 LYS 17 17.603 43.109 76.476 133 HZ3 LYS 17 HZ3 LYS 17 16.665 42.343 75.296 134 H TRP 18 H TRP 18 13.388 44.252 69.683 135 HA TRP 18 HA TRP 18 11.356 45.436 68.238 136 HD1 TRP 18 HD1 TRP 18 13.854 41.707 68.945 137 HE1 TRP 18 HE1 TRP 18 15.868 41.903 67.354 138 HE3 TRP 18 HE3 TRP 18 11.903 45.014 65.570 139 HZ2 TRP 18 HZ2 TRP 18 16.541 43.278 64.983 140 HZ3 TRP 18 HZ3 TRP 18 13.298 45.720 63.670 141 HH2 TRP 18 HH2 TRP 18 15.569 44.870 63.384 142 HB2 TRP 18 HB2 TRP 18 11.385 42.486 68.859 143 HB3 TRP 18 HB3 TRP 18 10.844 43.287 67.386 144 H LEU 19 H LEU 19 9.027 44.453 68.186 145 HA LEU 19 HA LEU 19 7.566 45.456 70.270 146 HG LEU 19 HG LEU 19 4.618 44.586 68.331 147 HB2 LEU 19 HB2 LEU 19 7.033 44.050 67.919 148 HB3 LEU 19 HB3 LEU 19 6.257 43.117 69.198 149 HD11 LEU 19 HD11 LEU 19 5.651 44.967 71.010 150 HD12 LEU 19 HD12 LEU 19 3.985 44.818 70.450 151 HD13 LEU 19 HD13 LEU 19 4.786 46.389 70.424 152 HD21 LEU 19 HD21 LEU 19 5.227 46.436 67.269 153 HD22 LEU 19 HD22 LEU 19 6.850 46.342 67.953 154 HD23 LEU 19 HD23 LEU 19 5.572 47.182 68.830 155 H ASP 20 H ASP 20 8.866 42.196 69.929 156 HA ASP 20 HA ASP 20 8.023 41.640 72.698 157 HB2 ASP 20 HB2 ASP 20 6.947 39.941 71.619 158 HB3 ASP 20 HB3 ASP 20 8.063 39.957 70.256 159 H GLY 21 H GLY 21 9.588 41.422 74.156 160 HA2 GLY 21 HA2 GLY 21 11.801 40.030 74.326 161 HA3 GLY 21 HA3 GLY 21 12.357 41.268 73.208 162 H LEU 22 H LEU 22 10.991 43.474 74.319 163 HA LEU 22 HA LEU 22 12.811 44.361 76.218 164 HG LEU 22 HG LEU 22 12.536 45.958 74.376 165 HB2 LEU 22 HB2 LEU 22 10.131 45.263 75.305 166 HB3 LEU 22 HB3 LEU 22 10.790 45.980 76.774 167 HD11 LEU 22 HD11 LEU 22 11.478 47.737 73.286 168 HD12 LEU 22 HD12 LEU 22 10.389 48.037 74.640 169 HD13 LEU 22 HD13 LEU 22 10.177 46.599 73.641 170 HD21 LEU 22 HD21 LEU 22 13.019 48.252 75.289 171 HD22 LEU 22 HD22 LEU 22 13.425 46.910 76.359 172 HD23 LEU 22 HD23 LEU 22 11.962 47.852 76.644 173 H ARG 23 H ARG 23 13.089 43.907 78.294 174 HA ARG 23 HA ARG 23 11.067 42.378 79.713 175 HE ARG 23 HE ARG 23 13.611 38.441 80.546 176 HB2 ARG 23 HB2 ARG 23 13.954 42.809 79.942 177 HB3 ARG 23 HB3 ARG 23 13.126 42.802 81.493 178 HG2 ARG 23 HG2 ARG 23 12.358 40.610 81.202 179 HG3 ARG 23 HG3 ARG 23 12.705 40.628 79.473 180 HD2 ARG 23 HD2 ARG 23 15.057 40.580 79.870 181 HD3 ARG 23 HD3 ARG 23 14.827 40.846 81.597 182 HH11 ARG 23 HH11 ARG 23 16.411 39.881 82.032 183 HH12 ARG 23 HH12 ARG 23 17.011 38.381 82.660 184 HH21 ARG 23 HH21 ARG 23 14.391 36.461 81.367 185 HH22 ARG 23 HH22 ARG 23 15.863 36.437 82.280 186 H ALA 24 H ALA 24 12.918 45.376 80.240 187 HA ALA 24 HA ALA 24 10.621 46.509 81.635 188 HB1 ALA 24 HB1 ALA 24 13.316 46.691 82.938 189 HB2 ALA 24 HB2 ALA 24 11.727 47.031 83.624 190 HB3 ALA 24 HB3 ALA 24 12.206 45.366 83.291 191 H GLY 25 H GLY 25 10.327 48.595 81.131 192 HA2 GLY 25 HA2 GLY 25 12.240 50.565 80.822 193 HA3 GLY 25 HA3 GLY 25 12.034 49.854 79.228 194 H SER 26 H SER 26 9.292 49.312 79.305 195 HA SER 26 HA SER 26 8.269 51.970 78.826 196 HG SER 26 HG SER 26 8.468 50.995 76.901 197 HB2 SER 26 HB2 SER 26 7.103 49.209 78.451 198 HB3 SER 26 HB3 SER 26 6.188 50.682 78.128 199 H MET 27 H MET 27 8.811 50.754 81.605 200 HA MET 27 HA MET 27 6.667 50.218 83.130 201 HB2 MET 27 HB2 MET 27 8.934 52.118 83.708 202 HB3 MET 27 HB3 MET 27 7.736 51.692 84.922 203 HG2 MET 27 HG2 MET 27 8.373 49.392 84.844 204 HG3 MET 27 HG3 MET 27 9.431 49.683 83.465 205 HE1 MET 27 HE1 MET 27 11.635 51.050 83.556 206 HE2 MET 27 HE2 MET 27 10.865 52.448 84.305 207 HE3 MET 27 HE3 MET 27 12.325 51.761 85.016 208 H ALA 28 H ALA 28 7.704 53.611 82.761 209 HA ALA 28 HA ALA 28 5.036 54.521 83.423 210 HB1 ALA 28 HB1 ALA 28 7.167 55.610 84.237 211 HB2 ALA 28 HB2 ALA 28 7.365 56.237 82.599 212 HB3 ALA 28 HB3 ALA 28 5.954 56.694 83.555 213 H LEU 29 H LEU 29 7.245 55.478 80.791 214 HA LEU 29 HA LEU 29 4.917 55.921 79.076 215 HG LEU 29 HG LEU 29 5.277 58.149 79.566 216 HB2 LEU 29 HB2 LEU 29 7.719 56.906 79.126 217 HB3 LEU 29 HB3 LEU 29 6.904 56.816 77.567 218 HD11 LEU 29 HD11 LEU 29 6.572 60.033 80.024 219 HD12 LEU 29 HD12 LEU 29 7.780 59.615 78.811 220 HD13 LEU 29 HD13 LEU 29 7.670 58.682 80.304 221 HD21 LEU 29 HD21 LEU 29 5.044 58.124 77.048 222 HD22 LEU 29 HD22 LEU 29 6.421 59.225 77.001 223 HD23 LEU 29 HD23 LEU 29 4.935 59.706 77.822 224 H GLN 30 H GLN 30 4.502 54.758 77.277 225 HA GLN 30 HA GLN 30 5.971 52.299 76.902 226 HB2 GLN 30 HB2 GLN 30 3.327 53.134 76.473 227 HB3 GLN 30 HB3 GLN 30 3.979 52.805 74.872 228 HG2 GLN 30 HG2 GLN 30 4.226 50.578 75.274 229 HG3 GLN 30 HG3 GLN 30 4.454 50.802 77.008 230 HE21 GLN 30 HE21 GLN 30 2.959 49.230 77.540 231 HE22 GLN 30 HE22 GLN 30 1.259 49.457 77.335 232 H GLY 31 H GLY 31 7.894 52.548 75.911 233 HA2 GLY 31 HA2 GLY 31 8.311 54.459 73.809 234 HA3 GLY 31 HA3 GLY 31 9.464 53.258 74.370 235 H ASP 32 H ASP 32 7.181 51.228 73.922 236 HA ASP 32 HA ASP 32 8.056 50.401 71.341 237 HB2 ASP 32 HB2 ASP 32 7.444 48.748 73.012 238 HB3 ASP 32 HB3 ASP 32 5.806 49.390 73.091 239 H VAL 33 H VAL 33 4.885 51.485 72.559 240 HA VAL 33 HA VAL 33 3.848 51.723 69.869 241 HB VAL 33 HB VAL 33 1.788 52.542 70.969 242 HG11 VAL 33 HG11 VAL 33 1.920 50.282 72.615 243 HG12 VAL 33 HG12 VAL 33 1.319 50.368 70.957 244 HG13 VAL 33 HG13 VAL 33 3.006 49.953 71.264 245 HG21 VAL 33 HG21 VAL 33 3.410 53.319 73.006 246 HG22 VAL 33 HG22 VAL 33 1.659 53.147 73.130 247 HG23 VAL 33 HG23 VAL 33 2.713 51.839 73.666 248 H LYS 34 H LYS 34 5.394 53.740 72.186 249 HA LYS 34 HA LYS 34 4.385 56.251 71.389 250 HB2 LYS 34 HB2 LYS 34 5.510 56.224 73.447 251 HB3 LYS 34 HB3 LYS 34 6.893 55.363 72.784 252 HG2 LYS 34 HG2 LYS 34 7.358 57.437 71.412 253 HG3 LYS 34 HG3 LYS 34 6.160 58.251 72.420 254 HD2 LYS 34 HD2 LYS 34 7.488 58.200 74.278 255 HD3 LYS 34 HD3 LYS 34 8.308 56.717 73.785 256 HE2 LYS 34 HE2 LYS 34 9.953 58.348 73.557 257 HE3 LYS 34 HE3 LYS 34 9.334 58.159 71.916 258 HZ1 LYS 34 HZ1 LYS 34 9.553 60.476 72.423 259 HZ2 LYS 34 HZ2 LYS 34 8.631 60.315 73.832 260 HZ3 LYS 34 HZ3 LYS 34 7.906 60.105 72.319 261 H VAL 35 H VAL 35 7.108 54.308 70.263 262 HA VAL 35 HA VAL 35 8.119 56.287 68.473 263 HB VAL 35 HB VAL 35 9.602 54.617 67.651 264 HG11 VAL 35 HG11 VAL 35 10.116 53.406 69.999 265 HG12 VAL 35 HG12 VAL 35 10.545 55.082 69.651 266 HG13 VAL 35 HG13 VAL 35 9.073 54.717 70.551 267 HG21 VAL 35 HG21 VAL 35 7.567 52.699 68.718 268 HG22 VAL 35 HG22 VAL 35 8.311 52.768 67.121 269 HG23 VAL 35 HG23 VAL 35 9.243 52.194 68.503 270 H TRP 36 H TRP 36 5.797 53.678 68.224 271 HA TRP 36 HA TRP 36 5.578 53.231 65.550 272 HD1 TRP 36 HD1 TRP 36 3.237 52.582 63.961 273 HE1 TRP 36 HE1 TRP 36 0.833 53.186 63.268 274 HE3 TRP 36 HE3 TRP 36 1.463 54.165 68.486 275 HZ2 TRP 36 HZ2 TRP 36 -1.506 54.199 64.480 276 HZ3 TRP 36 HZ3 TRP 36 -0.870 54.937 68.634 277 HH2 TRP 36 HH2 TRP 36 -2.321 54.953 66.671 278 HB2 TRP 36 HB2 TRP 36 4.065 51.977 66.740 279 HB3 TRP 36 HB3 TRP 36 3.592 53.326 67.768 280 H MET 37 H MET 37 4.823 56.157 67.241 281 HA MET 37 HA MET 37 3.236 57.311 65.149 282 HB2 MET 37 HB2 MET 37 3.655 57.891 67.809 283 HB3 MET 37 HB3 MET 37 4.527 59.183 66.992 284 HG2 MET 37 HG2 MET 37 2.379 60.025 67.336 285 HG3 MET 37 HG3 MET 37 2.414 59.550 65.640 286 HE1 MET 37 HE1 MET 37 0.496 56.943 68.920 287 HE2 MET 37 HE2 MET 37 2.169 56.708 68.414 288 HE3 MET 37 HE3 MET 37 1.688 58.215 69.196 289 H GLN 38 H GLN 38 6.490 58.052 66.417 290 HA GLN 38 HA GLN 38 7.236 59.891 64.480 291 HB2 GLN 38 HB2 GLN 38 9.442 59.635 65.240 292 HB3 GLN 38 HB3 GLN 38 8.451 59.234 66.636 293 HG2 GLN 38 HG2 GLN 38 8.888 56.946 66.434 294 HG3 GLN 38 HG3 GLN 38 9.487 57.119 64.785 295 HE21 GLN 38 HE21 GLN 38 11.161 55.756 66.052 296 HE22 GLN 38 HE22 GLN 38 12.498 56.646 66.688 297 H ASN 39 H ASN 39 7.212 56.394 64.363 298 HA ASN 39 HA ASN 39 8.853 55.972 62.146 299 HB2 ASN 39 HB2 ASN 39 6.742 54.464 63.551 300 HB3 ASN 39 HB3 ASN 39 6.994 54.001 61.870 301 HD21 ASN 39 HD21 ASN 39 7.759 51.979 62.566 302 HD22 ASN 39 HD22 ASN 39 9.354 51.795 63.206 303 H LEU 40 H LEU 40 5.354 56.561 62.304 304 HA LEU 40 HA LEU 40 5.111 56.580 59.427 305 HG LEU 40 HG LEU 40 3.484 56.366 62.766 306 HB2 LEU 40 HB2 LEU 40 2.871 57.716 60.869 307 HB3 LEU 40 HB3 LEU 40 2.934 56.315 59.801 308 HD11 LEU 40 HD11 LEU 40 1.098 56.184 61.389 309 HD12 LEU 40 HD12 LEU 40 1.388 55.673 63.052 310 HD13 LEU 40 HD13 LEU 40 1.511 54.504 61.738 311 HD21 LEU 40 HD21 LEU 40 4.137 54.383 60.668 312 HD22 LEU 40 HD22 LEU 40 3.447 53.764 62.169 313 HD23 LEU 40 HD23 LEU 40 4.932 54.715 62.208 314 H GLU 41 H GLU 41 5.775 58.848 61.910 315 HA GLU 41 HA GLU 41 4.785 61.197 60.687 316 HB2 GLU 41 HB2 GLU 41 5.723 60.720 63.117 317 HB3 GLU 41 HB3 GLU 41 7.226 61.286 62.401 318 HG2 GLU 41 HG2 GLU 41 6.054 63.093 63.514 319 HG3 GLU 41 HG3 GLU 41 6.154 63.381 61.777 320 H ASP 42 H ASP 42 8.011 59.706 60.690 321 HA ASP 42 HA ASP 42 9.030 61.648 58.812 322 HB2 ASP 42 HB2 ASP 42 10.488 60.704 60.557 323 HB3 ASP 42 HB3 ASP 42 10.282 59.100 59.859 324 H LEU 43 H LEU 43 7.478 58.588 58.681 325 HA LEU 43 HA LEU 43 8.430 57.959 56.015 326 HG LEU 43 HG LEU 43 6.970 54.552 56.396 327 HB2 LEU 43 HB2 LEU 43 7.833 56.308 57.919 328 HB3 LEU 43 HB3 LEU 43 6.170 56.568 57.399 329 HD11 LEU 43 HD11 LEU 43 6.191 54.950 54.313 330 HD12 LEU 43 HD12 LEU 43 7.251 56.336 54.059 331 HD13 LEU 43 HD13 LEU 43 5.782 56.515 55.018 332 HD21 LEU 43 HD21 LEU 43 9.313 56.229 55.530 333 HD22 LEU 43 HD22 LEU 43 8.929 54.668 54.804 334 HD23 LEU 43 HD23 LEU 43 9.320 54.770 56.521 335 H HIS 44 H HIS 44 5.209 58.464 57.471 336 HA HIS 44 HA HIS 44 3.651 58.577 55.252 337 HD1 HIS 44 HD1 HIS 44 2.427 62.394 56.438 338 HD2 HIS 44 HD2 HIS 44 0.371 58.815 55.967 339 HE1 HIS 44 HE1 HIS 44 0.195 63.024 55.465 340 HB2 HIS 44 HB2 HIS 44 2.718 58.815 57.480 341 HB3 HIS 44 HB3 HIS 44 3.494 60.384 57.673 342 H THR 45 H THR 45 5.533 61.282 56.581 343 HA THR 45 HA THR 45 4.828 63.353 54.986 344 HB THR 45 HB THR 45 6.674 63.286 56.758 345 HG1 THR 45 HG1 THR 45 6.549 65.254 55.931 346 HG21 THR 45 HG21 THR 45 7.991 61.518 55.541 347 HG22 THR 45 HG22 THR 45 8.922 62.928 56.048 348 HG23 THR 45 HG23 THR 45 8.427 62.756 54.363 349 H ARG 46 H ARG 46 6.769 60.580 54.052 350 HA ARG 46 HA ARG 46 7.191 61.691 51.383 351 HE ARG 46 HE ARG 46 8.281 61.028 48.087 352 HB2 ARG 46 HB2 ARG 46 8.880 60.294 52.925 353 HB3 ARG 46 HB3 ARG 46 8.123 58.957 52.069 354 HG2 ARG 46 HG2 ARG 46 9.349 61.322 50.676 355 HG3 ARG 46 HG3 ARG 46 10.238 59.845 51.054 356 HD2 ARG 46 HD2 ARG 46 9.185 58.644 49.452 357 HD3 ARG 46 HD3 ARG 46 7.653 59.484 49.682 358 HH11 ARG 46 HH11 ARG 46 10.972 58.971 48.892 359 HH12 ARG 46 HH12 ARG 46 11.950 59.514 47.569 360 HH21 ARG 46 HH21 ARG 46 9.559 61.751 46.342 361 HH22 ARG 46 HH22 ARG 46 11.147 61.095 46.120 362 H ARG 47 H ARG 47 6.116 58.556 52.714 363 HA ARG 47 HA ARG 47 3.990 58.484 50.707 364 HE ARG 47 HE ARG 47 6.164 53.934 48.485 365 HB2 ARG 47 HB2 ARG 47 6.087 57.248 49.908 366 HB3 ARG 47 HB3 ARG 47 5.740 56.077 51.173 367 HG2 ARG 47 HG2 ARG 47 3.978 55.197 50.067 368 HG3 ARG 47 HG3 ARG 47 3.513 56.742 49.353 369 HD2 ARG 47 HD2 ARG 47 4.382 55.965 47.451 370 HD3 ARG 47 HD3 ARG 47 5.959 56.214 48.197 371 HH11 ARG 47 HH11 ARG 47 2.936 54.728 47.450 372 HH12 ARG 47 HH12 ARG 47 2.497 53.085 47.123 373 HH21 ARG 47 HH21 ARG 47 5.597 51.767 48.057 374 HH22 ARG 47 HH22 ARG 47 4.010 51.401 47.470 375 HA PRO 48 HA PRO 48 1.804 57.201 54.353 376 HB2 PRO 48 HB2 PRO 48 -0.584 56.767 53.138 377 HB3 PRO 48 HB3 PRO 48 0.026 58.385 53.507 378 HG2 PRO 48 HG2 PRO 48 0.089 56.882 50.919 379 HG3 PRO 48 HG3 PRO 48 -0.297 58.587 51.212 380 HD2 PRO 48 HD2 PRO 48 2.123 57.777 50.308 381 HD3 PRO 48 HD3 PRO 48 1.922 59.196 51.356 382 H ASP 49 H ASP 49 1.110 55.391 51.352 383 HA ASP 49 HA ASP 49 0.243 53.026 52.429 384 HB2 ASP 49 HB2 ASP 49 0.393 53.649 49.976 385 HB3 ASP 49 HB3 ASP 49 2.084 53.162 50.039 386 H GLU 50 H GLU 50 3.487 54.275 52.335 387 HA GLU 50 HA GLU 50 4.621 51.738 53.218 388 HB2 GLU 50 HB2 GLU 50 5.788 54.373 52.371 389 HB3 GLU 50 HB3 GLU 50 6.768 53.196 53.233 390 HG2 GLU 50 HG2 GLU 50 5.279 52.156 50.922 391 HG3 GLU 50 HG3 GLU 50 6.553 53.317 50.555 392 H PHE 51 H PHE 51 3.417 54.651 54.524 393 HA PHE 51 HA PHE 51 4.883 55.164 56.762 394 HD1 PHE 51 HD1 PHE 51 2.665 54.429 59.242 395 HD2 PHE 51 HD2 PHE 51 0.282 55.307 55.826 396 HE1 PHE 51 HE1 PHE 51 0.730 53.358 60.320 397 HE2 PHE 51 HE2 PHE 51 -1.656 54.238 56.899 398 HZ PHE 51 HZ PHE 51 -1.434 53.261 59.149 399 HB2 PHE 51 HB2 PHE 51 3.111 56.404 57.439 400 HB3 PHE 51 HB3 PHE 51 2.462 55.992 55.855 401 H THR 52 H THR 52 2.586 52.532 56.293 402 HA THR 52 HA THR 52 2.768 51.586 58.993 403 HB THR 52 HB THR 52 1.465 49.684 58.256 404 HG1 THR 52 HG1 THR 52 1.020 50.194 55.701 405 HG21 THR 52 HG21 THR 52 0.655 52.375 57.216 406 HG22 THR 52 HG22 THR 52 0.039 51.488 58.610 407 HG23 THR 52 HG23 THR 52 -0.388 50.973 56.977 408 H ALA 53 H ALA 53 4.567 51.109 56.082 409 HA ALA 53 HA ALA 53 5.685 48.593 56.521 410 HB1 ALA 53 HB1 ALA 53 5.907 50.417 54.562 411 HB2 ALA 53 HB2 ALA 53 7.462 50.644 55.362 412 HB3 ALA 53 HB3 ALA 53 7.009 49.053 54.749 413 H ARG 54 H ARG 54 6.163 51.534 58.205 414 HA ARG 54 HA ARG 54 8.789 50.946 59.202 415 HE ARG 54 HE ARG 54 9.503 52.202 57.003 416 HB2 ARG 54 HB2 ARG 54 6.699 52.945 60.077 417 HB3 ARG 54 HB3 ARG 54 8.309 52.839 60.776 418 HG2 ARG 54 HG2 ARG 54 7.802 53.318 57.851 419 HG3 ARG 54 HG3 ARG 54 8.004 54.611 59.035 420 HD2 ARG 54 HD2 ARG 54 10.161 54.424 58.326 421 HD3 ARG 54 HD3 ARG 54 10.186 53.227 59.620 422 HH11 ARG 54 HH11 ARG 54 12.025 52.832 59.319 423 HH12 ARG 54 HH12 ARG 54 13.116 51.669 58.642 424 HH21 ARG 54 HH21 ARG 54 10.931 50.667 56.104 425 HH22 ARG 54 HH22 ARG 54 12.493 50.438 56.813 426 H LEU 55 H LEU 55 5.702 51.313 60.955 427 HA LEU 55 HA LEU 55 6.646 49.815 63.192 428 HG LEU 55 HG LEU 55 2.535 50.908 63.118 429 HB2 LEU 55 HB2 LEU 55 4.670 50.356 64.216 430 HB3 LEU 55 HB3 LEU 55 4.817 51.663 63.043 431 HD11 LEU 55 HD11 LEU 55 2.495 49.854 60.678 432 HD12 LEU 55 HD12 LEU 55 4.167 50.415 60.696 433 HD13 LEU 55 HD13 LEU 55 2.850 51.556 60.968 434 HD21 LEU 55 HD21 LEU 55 1.855 48.762 63.193 435 HD22 LEU 55 HD22 LEU 55 3.502 48.468 63.752 436 HD23 LEU 55 HD23 LEU 55 3.089 48.219 62.055 437 H GLN 56 H GLN 56 5.217 48.981 60.204 438 HA GLN 56 HA GLN 56 3.803 46.663 60.849 439 HB2 GLN 56 HB2 GLN 56 3.565 47.528 58.657 440 HB3 GLN 56 HB3 GLN 56 5.299 47.491 58.370 441 HG2 GLN 56 HG2 GLN 56 4.771 45.638 57.213 442 HG3 GLN 56 HG3 GLN 56 4.876 44.887 58.805 443 HE21 GLN 56 HE21 GLN 56 3.369 43.950 56.577 444 HE22 GLN 56 HE22 GLN 56 1.704 43.955 57.040 445 H GLN 57 H GLN 57 7.242 47.197 60.356 446 HA GLN 57 HA GLN 57 7.947 44.429 60.369 447 HB2 GLN 57 HB2 GLN 57 9.349 47.006 60.245 448 HB3 GLN 57 HB3 GLN 57 10.238 45.748 61.093 449 HG2 GLN 57 HG2 GLN 57 10.386 44.404 59.215 450 HG3 GLN 57 HG3 GLN 57 9.032 45.201 58.415 451 HE21 GLN 57 HE21 GLN 57 12.221 44.793 58.232 452 HE22 GLN 57 HE22 GLN 57 12.694 46.282 57.497 453 H SER 58 H SER 58 7.587 46.915 62.800 454 HA SER 58 HA SER 58 8.894 45.460 64.887 455 HG SER 58 HG SER 58 9.731 47.466 64.637 456 HB2 SER 58 HB2 SER 58 7.093 47.881 64.870 457 HB3 SER 58 HB3 SER 58 7.717 47.183 66.364 458 H THR 59 H THR 59 5.467 46.351 64.434 459 HA THR 59 HA THR 59 4.288 44.919 66.410 460 HB THR 59 HB THR 59 3.082 46.341 64.749 461 HG1 THR 59 HG1 THR 59 1.186 45.115 64.909 462 HG21 THR 59 HG21 THR 59 2.511 45.597 62.622 463 HG22 THR 59 HG22 THR 59 2.838 43.910 63.015 464 HG23 THR 59 HG23 THR 59 4.175 45.037 62.787 465 H ASP 60 H ASP 60 5.943 43.636 63.681 466 HA ASP 60 HA ASP 60 4.781 41.134 63.384 467 HB2 ASP 60 HB2 ASP 60 7.127 42.436 62.487 468 HB3 ASP 60 HB3 ASP 60 7.634 40.891 63.167 469 H ALA 61 H ALA 61 7.496 42.048 65.501 470 HA ALA 61 HA ALA 61 8.046 39.639 66.681 471 HB1 ALA 61 HB1 ALA 61 9.300 41.714 67.097 472 HB2 ALA 61 HB2 ALA 61 7.972 42.301 68.099 473 HB3 ALA 61 HB3 ALA 61 8.885 40.874 68.592 474 H LEU 62 H LEU 62 5.303 41.733 67.247 475 HA LEU 62 HA LEU 62 4.411 40.202 69.546 476 HG LEU 62 HG LEU 62 2.361 40.930 70.526 477 HB2 LEU 62 HB2 LEU 62 4.138 42.707 69.267 478 HB3 LEU 62 HB3 LEU 62 2.889 42.342 68.079 479 HD11 LEU 62 HD11 LEU 62 2.269 42.568 72.127 480 HD12 LEU 62 HD12 LEU 62 2.232 43.876 70.946 481 HD13 LEU 62 HD13 LEU 62 3.742 43.026 71.272 482 HD21 LEU 62 HD21 LEU 62 1.019 42.774 68.645 483 HD22 LEU 62 HD22 LEU 62 0.356 42.685 70.276 484 HD23 LEU 62 HD23 LEU 62 0.483 41.224 69.297 485 H TYR 63 H TYR 63 3.222 40.901 66.264 486 HA TYR 63 HA TYR 63 0.922 39.458 66.186 487 HD1 TYR 63 HD1 TYR 63 3.905 37.971 63.451 488 HD2 TYR 63 HD2 TYR 63 -0.244 38.860 63.125 489 HE1 TYR 63 HE1 TYR 63 3.633 36.098 61.879 490 HE2 TYR 63 HE2 TYR 63 -0.527 36.990 61.554 491 HH TYR 63 HH TYR 63 0.552 35.487 60.267 492 HB2 TYR 63 HB2 TYR 63 1.252 40.424 64.155 493 HB3 TYR 63 HB3 TYR 63 2.988 40.142 64.185 494 H SER 64 H SER 64 4.176 38.146 65.588 495 HA SER 64 HA SER 64 3.245 35.452 65.366 496 HG SER 64 HG SER 64 5.405 34.008 65.796 497 HB2 SER 64 HB2 SER 64 5.372 36.434 64.336 498 HB3 SER 64 HB3 SER 64 6.087 36.285 65.941 499 H HIS 65 H HIS 65 4.729 37.386 67.918 500 HA HIS 65 HA HIS 65 5.257 35.411 69.788 501 HD1 HIS 65 HD1 HIS 65 6.736 36.225 72.275 502 HD2 HIS 65 HD2 HIS 65 3.080 38.169 72.614 503 HE1 HIS 65 HE1 HIS 65 6.179 36.188 74.728 504 HB2 HIS 65 HB2 HIS 65 6.012 37.658 70.173 505 HB3 HIS 65 HB3 HIS 65 4.361 38.270 70.179 506 H LEU 66 H LEU 66 2.259 37.282 69.362 507 HA LEU 66 HA LEU 66 0.853 35.836 71.388 508 HG LEU 66 HG LEU 66 -1.781 35.982 70.527 509 HB2 LEU 66 HB2 LEU 66 0.152 38.055 70.960 510 HB3 LEU 66 HB3 LEU 66 -0.006 37.747 69.232 511 HD11 LEU 66 HD11 LEU 66 -1.433 37.620 72.459 512 HD12 LEU 66 HD12 LEU 66 -3.090 37.287 71.956 513 HD13 LEU 66 HD13 LEU 66 -2.303 38.785 71.461 514 HD21 LEU 66 HD21 LEU 66 -2.419 36.712 68.446 515 HD22 LEU 66 HD22 LEU 66 -1.964 38.385 68.771 516 HD23 LEU 66 HD23 LEU 66 -3.439 37.720 69.475 517 H GLU 67 H GLU 67 0.455 35.967 67.842 518 HA GLU 67 HA GLU 67 -1.416 33.998 67.512 519 HB2 GLU 67 HB2 GLU 67 -0.230 35.494 65.761 520 HB3 GLU 67 HB3 GLU 67 0.932 34.179 65.648 521 HG2 GLU 67 HG2 GLU 67 -1.836 33.292 65.461 522 HG3 GLU 67 HG3 GLU 67 -1.366 34.416 64.187 523 H ALA 68 H ALA 68 2.063 33.606 67.961 524 HA ALA 68 HA ALA 68 1.921 30.730 67.699 525 HB1 ALA 68 HB1 ALA 68 3.898 32.368 67.128 526 HB2 ALA 68 HB2 ALA 68 4.315 32.100 68.821 527 HB3 ALA 68 HB3 ALA 68 4.210 30.732 67.711 528 H GLN 69 H GLN 69 2.968 32.911 70.327 529 HA GLN 69 HA GLN 69 3.026 30.961 72.329 530 HB2 GLN 69 HB2 GLN 69 3.977 33.341 72.367 531 HB3 GLN 69 HB3 GLN 69 2.363 33.854 72.838 532 HG2 GLN 69 HG2 GLN 69 3.160 33.583 74.912 533 HG3 GLN 69 HG3 GLN 69 2.774 31.887 74.626 534 HE21 GLN 69 HE21 GLN 69 4.340 31.048 75.931 535 HE22 GLN 69 HE22 GLN 69 6.031 31.178 75.597 536 H TRP 70 H TRP 70 0.509 33.415 71.717 537 HA TRP 70 HA TRP 70 -1.327 32.528 73.605 538 HD1 TRP 70 HD1 TRP 70 -4.812 34.248 71.640 539 HE1 TRP 70 HE1 TRP 70 -6.024 35.105 73.743 540 HE3 TRP 70 HE3 TRP 70 -0.845 34.386 74.863 541 HZ2 TRP 70 HZ2 TRP 70 -5.383 35.754 76.414 542 HZ3 TRP 70 HZ3 TRP 70 -1.230 35.137 77.174 543 HH2 TRP 70 HH2 TRP 70 -3.452 35.807 77.931 544 HB2 TRP 70 HB2 TRP 70 -1.275 34.586 71.864 545 HB3 TRP 70 HB3 TRP 70 -2.436 33.541 71.050 546 H ALA 71 H ALA 71 -0.463 31.173 70.552 547 HA ALA 71 HA ALA 71 -2.706 29.770 69.793 548 HB1 ALA 71 HB1 ALA 71 -0.171 29.877 68.897 549 HB2 ALA 71 HB2 ALA 71 -0.178 28.265 69.613 550 HB3 ALA 71 HB3 ALA 71 -1.349 28.678 68.360 551 H LYS 72 H LYS 72 -0.374 28.982 72.317 552 HA LYS 72 HA LYS 72 -0.917 26.400 72.932 553 HB2 LYS 72 HB2 LYS 72 -0.326 28.781 74.638 554 HB3 LYS 72 HB3 LYS 72 -0.747 27.265 75.423 555 HG2 LYS 72 HG2 LYS 72 1.431 27.450 73.367 556 HG3 LYS 72 HG3 LYS 72 1.718 27.746 75.084 557 HD2 LYS 72 HD2 LYS 72 2.185 25.516 75.018 558 HD3 LYS 72 HD3 LYS 72 0.445 25.426 75.305 559 HE2 LYS 72 HE2 LYS 72 0.177 24.307 73.407 560 HE3 LYS 72 HE3 LYS 72 0.884 25.645 72.502 561 HZ1 LYS 72 HZ1 LYS 72 3.048 24.431 73.574 562 HZ2 LYS 72 HZ2 LYS 72 2.475 24.185 72.001 563 HZ3 LYS 72 HZ3 LYS 72 2.040 23.115 73.237 564 H GLN 73 H GLN 73 -2.927 29.194 73.729 565 HA GLN 73 HA GLN 73 -4.788 27.964 75.384 566 HB2 GLN 73 HB2 GLN 73 -4.798 30.350 73.615 567 HB3 GLN 73 HB3 GLN 73 -6.361 29.750 74.153 568 HG2 GLN 73 HG2 GLN 73 -4.475 29.910 76.336 569 HG3 GLN 73 HG3 GLN 73 -4.670 31.462 75.522 570 HE21 GLN 73 HE21 GLN 73 -6.140 32.681 76.438 571 HE22 GLN 73 HE22 GLN 73 -7.601 32.141 77.187 572 H HIS 74 H HIS 74 -5.102 28.540 71.875 573 HA HIS 74 HA HIS 74 -6.711 26.088 71.702 574 HD1 HIS 74 HD1 HIS 74 -8.019 29.552 72.971 575 HD2 HIS 74 HD2 HIS 74 -10.101 26.237 71.582 576 HE1 HIS 74 HE1 HIS 74 -9.957 29.266 74.549 577 HB2 HIS 74 HB2 HIS 74 -7.384 28.794 70.551 578 HB3 HIS 74 HB3 HIS 74 -8.118 27.305 69.964 579 H GLY 75 H GLY 75 -4.952 28.574 69.865 580 HA2 GLY 75 HA2 GLY 75 -3.345 28.275 68.221 581 HA3 GLY 75 HA3 GLY 75 -3.555 26.537 68.376 582 H THR 76 H THR 76 -6.548 27.023 68.019 583 HA THR 76 HA THR 76 -6.500 26.776 65.129 584 HB THR 76 HB THR 76 -8.263 25.449 65.423 585 HG1 THR 76 HG1 THR 76 -9.838 26.915 65.295 586 HG21 THR 76 HG21 THR 76 -8.322 26.160 68.348 587 HG22 THR 76 HG22 THR 76 -7.097 25.104 67.649 588 HG23 THR 76 HG23 THR 76 -8.797 24.643 67.587 589 HA PRO 77 HA PRO 77 -9.471 30.569 65.647 590 HB2 PRO 77 HB2 PRO 77 -9.456 31.808 68.063 591 HB3 PRO 77 HB3 PRO 77 -10.560 30.485 67.670 592 HG2 PRO 77 HG2 PRO 77 -7.987 30.415 69.199 593 HG3 PRO 77 HG3 PRO 77 -9.522 29.601 69.553 594 HD2 PRO 77 HD2 PRO 77 -7.429 28.325 68.402 595 HD3 PRO 77 HD3 PRO 77 -9.117 27.906 68.045 596 HA PRO 78 HA PRO 78 -5.634 33.254 67.054 597 HB2 PRO 78 HB2 PRO 78 -3.338 31.819 67.257 598 HB3 PRO 78 HB3 PRO 78 -4.410 32.116 68.632 599 HG2 PRO 78 HG2 PRO 78 -4.186 29.687 66.896 600 HG3 PRO 78 HG3 PRO 78 -4.352 29.792 68.658 601 HD2 PRO 78 HD2 PRO 78 -6.441 29.236 67.028 602 HD3 PRO 78 HD3 PRO 78 -6.629 30.131 68.549 603 H THR 79 H THR 79 -5.486 34.221 65.112 604 HA THR 79 HA THR 79 -3.528 33.312 63.231 605 HB THR 79 HB THR 79 -6.359 33.465 62.196 606 HG1 THR 79 HG1 THR 79 -6.156 31.618 63.512 607 HG21 THR 79 HG21 THR 79 -5.110 33.786 60.324 608 HG22 THR 79 HG22 THR 79 -4.996 32.029 60.389 609 HG23 THR 79 HG23 THR 79 -3.679 33.021 61.015 610 H ALA 80 H ALA 80 -3.273 34.833 61.410 611 HA ALA 80 HA ALA 80 -2.942 37.413 62.087 612 HB1 ALA 80 HB1 ALA 80 -3.761 37.644 59.444 613 HB2 ALA 80 HB2 ALA 80 -2.124 37.328 60.021 614 HB3 ALA 80 HB3 ALA 80 -3.181 35.984 59.585 615 H SER 81 H SER 81 -5.975 35.920 61.198 616 HA SER 81 HA SER 81 -7.469 38.284 60.792 617 HG SER 81 HG SER 81 -8.904 37.635 59.567 618 HB2 SER 81 HB2 SER 81 -8.007 35.423 61.015 619 HB3 SER 81 HB3 SER 81 -9.289 36.407 61.719 620 H ASP 82 H ASP 82 -6.961 36.240 63.642 621 HA ASP 82 HA ASP 82 -8.553 37.986 65.314 622 HB2 ASP 82 HB2 ASP 82 -7.056 35.425 65.738 623 HB3 ASP 82 HB3 ASP 82 -7.537 36.393 67.130 624 H VAL 83 H VAL 83 -5.139 36.964 65.223 625 HA VAL 83 HA VAL 83 -4.045 38.430 67.216 626 HB VAL 83 HB VAL 83 -2.844 38.209 64.451 627 HG11 VAL 83 HG11 VAL 83 -1.152 39.370 65.300 628 HG12 VAL 83 HG12 VAL 83 -1.912 39.403 66.892 629 HG13 VAL 83 HG13 VAL 83 -0.875 38.051 66.437 630 HG21 VAL 83 HG21 VAL 83 -2.405 36.048 64.820 631 HG22 VAL 83 HG22 VAL 83 -1.919 36.345 66.489 632 HG23 VAL 83 HG23 VAL 83 -3.625 36.139 66.091 633 H VAL 84 H VAL 84 -5.479 39.667 64.327 634 HA VAL 84 HA VAL 84 -4.306 42.136 64.012 635 HB VAL 84 HB VAL 84 -6.123 41.168 62.577 636 HG11 VAL 84 HG11 VAL 84 -8.375 41.297 63.156 637 HG12 VAL 84 HG12 VAL 84 -7.601 40.750 64.645 638 HG13 VAL 84 HG13 VAL 84 -8.072 42.440 64.465 639 HG21 VAL 84 HG21 VAL 84 -6.282 44.020 63.520 640 HG22 VAL 84 HG22 VAL 84 -5.450 43.380 62.102 641 HG23 VAL 84 HG23 VAL 84 -7.213 43.416 62.148 642 H GLY 85 H GLY 85 -6.826 41.190 66.315 643 HA2 GLY 85 HA2 GLY 85 -6.255 43.672 67.801 644 HA3 GLY 85 HA3 GLY 85 -7.915 43.179 67.500 645 H MET 86 H MET 86 -6.418 40.346 67.846 646 HA MET 86 HA MET 86 -7.531 39.715 70.312 647 HB2 MET 86 HB2 MET 86 -6.898 37.997 68.723 648 HB3 MET 86 HB3 MET 86 -5.200 38.432 68.879 649 HG2 MET 86 HG2 MET 86 -4.948 37.083 70.611 650 HG3 MET 86 HG3 MET 86 -6.306 37.825 71.454 651 HE1 MET 86 HE1 MET 86 -6.354 34.614 68.342 652 HE2 MET 86 HE2 MET 86 -4.983 35.504 69.005 653 HE3 MET 86 HE3 MET 86 -5.537 34.025 69.791 654 HA PRO 87 HA PRO 87 -3.101 40.471 72.170 655 HB2 PRO 87 HB2 PRO 87 -1.516 42.163 70.758 656 HB3 PRO 87 HB3 PRO 87 -1.505 40.412 70.519 657 HG2 PRO 87 HG2 PRO 87 -2.888 42.534 68.924 658 HG3 PRO 87 HG3 PRO 87 -1.990 41.115 68.355 659 HD2 PRO 87 HD2 PRO 87 -4.695 41.181 68.461 660 HD3 PRO 87 HD3 PRO 87 -3.765 39.690 68.717 661 H GLN 88 H GLN 88 -1.983 42.526 73.055 662 HA GLN 88 HA GLN 88 -4.079 44.410 73.698 663 HB2 GLN 88 HB2 GLN 88 -2.442 45.334 75.294 664 HB3 GLN 88 HB3 GLN 88 -2.648 43.599 75.486 665 HG2 GLN 88 HG2 GLN 88 -0.586 43.329 74.049 666 HG3 GLN 88 HG3 GLN 88 -0.342 45.064 74.246 667 HE21 GLN 88 HE21 GLN 88 1.404 45.147 75.513 668 HE22 GLN 88 HE22 GLN 88 1.531 44.419 77.074 669 H TRP 89 H TRP 89 -1.107 44.349 71.848 670 HA TRP 89 HA TRP 89 -0.445 46.950 71.502 671 HD1 TRP 89 HD1 TRP 89 -1.031 43.164 68.642 672 HE1 TRP 89 HE1 TRP 89 -2.149 43.486 66.345 673 HE3 TRP 89 HE3 TRP 89 -0.593 48.241 68.231 674 HZ2 TRP 89 HZ2 TRP 89 -2.764 45.610 64.592 675 HZ3 TRP 89 HZ3 TRP 89 -1.471 49.340 66.212 676 HH2 TRP 89 HH2 TRP 89 -2.534 48.051 64.432 677 HB2 TRP 89 HB2 TRP 89 0.720 46.278 69.664 678 HB3 TRP 89 HB3 TRP 89 0.284 44.679 70.260 679 H GLN 90 H GLN 90 -3.063 45.268 69.783 680 HA GLN 90 HA GLN 90 -3.885 47.424 68.195 681 HB2 GLN 90 HB2 GLN 90 -4.600 45.097 67.820 682 HB3 GLN 90 HB3 GLN 90 -5.560 45.158 69.292 683 HG2 GLN 90 HG2 GLN 90 -6.807 45.462 67.125 684 HG3 GLN 90 HG3 GLN 90 -7.083 46.685 68.365 685 HE21 GLN 90 HE21 GLN 90 -6.482 48.768 67.997 686 HE22 GLN 90 HE22 GLN 90 -5.871 49.337 66.485 687 H GLU 91 H GLU 91 -4.732 46.497 71.484 688 HA GLU 91 HA GLU 91 -6.800 48.458 71.761 689 HB2 GLU 91 HB2 GLU 91 -5.836 46.258 73.259 690 HB3 GLU 91 HB3 GLU 91 -5.708 47.673 74.295 691 HG2 GLU 91 HG2 GLU 91 -8.108 48.169 73.722 692 HG3 GLU 91 HG3 GLU 91 -8.169 46.576 72.968 693 H TYR 92 H TYR 92 -3.540 48.174 73.183 694 HA TYR 92 HA TYR 92 -3.460 50.664 74.413 695 HD1 TYR 92 HD1 TYR 92 -2.592 50.579 76.379 696 HD2 TYR 92 HD2 TYR 92 -0.804 47.113 74.680 697 HE1 TYR 92 HE1 TYR 92 -2.685 49.464 78.570 698 HE2 TYR 92 HE2 TYR 92 -0.891 45.989 76.866 699 HH TYR 92 HH TYR 92 -2.116 47.664 79.745 700 HB2 TYR 92 HB2 TYR 92 -1.290 48.893 73.305 701 HB3 TYR 92 HB3 TYR 92 -0.920 50.420 74.099 702 H THR 93 H THR 93 -2.037 49.786 71.260 703 HA THR 93 HA THR 93 -1.124 52.211 70.421 704 HB THR 93 HB THR 93 -0.983 50.039 69.148 705 HG1 THR 93 HG1 THR 93 -0.369 51.279 67.548 706 HG21 THR 93 HG21 THR 93 -3.307 50.630 67.505 707 HG22 THR 93 HG22 THR 93 -3.747 50.201 69.157 708 HG23 THR 93 HG23 THR 93 -2.771 49.096 68.188 709 H ALA 94 H ALA 94 -4.452 51.158 70.610 710 HA ALA 94 HA ALA 94 -5.450 53.466 69.172 711 HB1 ALA 94 HB1 ALA 94 -6.558 50.951 70.177 712 HB2 ALA 94 HB2 ALA 94 -7.645 52.333 70.322 713 HB3 ALA 94 HB3 ALA 94 -6.985 51.890 68.747 714 H MET 95 H MET 95 -5.347 52.290 72.510 715 HA MET 95 HA MET 95 -6.928 54.055 73.835 716 HB2 MET 95 HB2 MET 95 -4.758 52.356 74.512 717 HB3 MET 95 HB3 MET 95 -4.471 53.905 75.295 718 HG2 MET 95 HG2 MET 95 -6.697 53.799 76.306 719 HG3 MET 95 HG3 MET 95 -6.963 52.236 75.535 720 HE1 MET 95 HE1 MET 95 -7.216 53.317 78.332 721 HE2 MET 95 HE2 MET 95 -6.718 51.973 79.359 722 HE3 MET 95 HE3 MET 95 -5.736 53.436 79.284 723 H LEU 96 H LEU 96 -3.627 54.669 72.698 724 HA LEU 96 HA LEU 96 -3.435 57.286 73.764 725 HG LEU 96 HG LEU 96 -2.399 54.683 71.452 726 HB2 LEU 96 HB2 LEU 96 -1.788 57.201 71.526 727 HB3 LEU 96 HB3 LEU 96 -1.334 56.874 73.197 728 HD11 LEU 96 HD11 LEU 96 0.535 55.152 71.680 729 HD12 LEU 96 HD12 LEU 96 -0.386 56.027 70.458 730 HD13 LEU 96 HD13 LEU 96 -0.376 54.263 70.459 731 HD21 LEU 96 HD21 LEU 96 -2.242 54.135 73.762 732 HD22 LEU 96 HD22 LEU 96 -0.624 54.829 73.881 733 HD23 LEU 96 HD23 LEU 96 -0.885 53.355 72.948 734 H ARG 97 H ARG 97 -4.205 56.088 70.504 735 HA ARG 97 HA ARG 97 -4.506 58.494 69.188 736 HE ARG 97 HE ARG 97 -3.938 55.119 65.062 737 HB2 ARG 97 HB2 ARG 97 -6.239 56.046 68.803 738 HB3 ARG 97 HB3 ARG 97 -5.955 57.322 67.627 739 HG2 ARG 97 HG2 ARG 97 -3.692 56.674 67.341 740 HG3 ARG 97 HG3 ARG 97 -3.764 55.585 68.728 741 HD2 ARG 97 HD2 ARG 97 -4.070 54.034 67.108 742 HD3 ARG 97 HD3 ARG 97 -5.749 54.552 67.261 743 HH11 ARG 97 HH11 ARG 97 -6.987 55.767 66.612 744 HH12 ARG 97 HH12 ARG 97 -7.717 56.434 65.190 745 HH21 ARG 97 HH21 ARG 97 -4.888 55.996 63.183 746 HH22 ARG 97 HH22 ARG 97 -6.522 56.563 63.239 747 H GLU 98 H GLU 98 -7.099 56.636 70.790 748 HA GLU 98 HA GLU 98 -9.014 58.727 70.510 749 HB2 GLU 98 HB2 GLU 98 -9.831 56.490 70.666 750 HB3 GLU 98 HB3 GLU 98 -8.960 56.208 72.167 751 HG2 GLU 98 HG2 GLU 98 -11.215 56.484 72.761 752 HG3 GLU 98 HG3 GLU 98 -10.409 57.986 73.207 753 H ARG 99 H ARG 99 -7.101 57.515 73.250 754 HA ARG 99 HA ARG 99 -8.061 59.585 75.007 755 HE ARG 99 HE ARG 99 -7.949 58.358 79.396 756 HB2 ARG 99 HB2 ARG 99 -7.302 57.202 75.646 757 HB3 ARG 99 HB3 ARG 99 -5.668 57.840 75.529 758 HG2 ARG 99 HG2 ARG 99 -6.550 57.831 77.830 759 HG3 ARG 99 HG3 ARG 99 -6.114 59.445 77.261 760 HD2 ARG 99 HD2 ARG 99 -8.252 60.178 77.295 761 HD3 ARG 99 HD3 ARG 99 -8.903 58.622 76.780 762 HH11 ARG 99 HH11 ARG 99 -10.477 59.991 77.647 763 HH12 ARG 99 HH12 ARG 99 -11.573 60.007 78.988 764 HH21 ARG 99 HH21 ARG 99 -9.383 58.371 81.169 765 HH22 ARG 99 HH22 ARG 99 -10.951 59.086 80.992 766 H PHE 100 H PHE 100 -6.351 60.025 72.448 767 HA PHE 100 HA PHE 100 -3.883 61.115 73.188 768 HD1 PHE 100 HD1 PHE 100 -7.396 61.136 71.348 769 HD2 PHE 100 HD2 PHE 100 -4.500 63.885 69.873 770 HE1 PHE 100 HE1 PHE 100 -9.194 62.496 70.362 771 HE2 PHE 100 HE2 PHE 100 -6.293 65.249 68.885 772 HZ PHE 100 HZ PHE 100 -8.644 64.555 69.129 773 HB2 PHE 100 HB2 PHE 100 -3.789 62.048 71.027 774 HB3 PHE 100 HB3 PHE 100 -4.778 60.604 70.838 775 H ALA 101 H ALA 101 -3.784 62.525 74.844 776 HA ALA 101 HA ALA 101 -5.464 64.942 74.675 777 HB1 ALA 101 HB1 ALA 101 -4.775 64.982 77.246 778 HB2 ALA 101 HB2 ALA 101 -6.195 64.118 76.658 779 HB3 ALA 101 HB3 ALA 101 -4.698 63.241 76.975 780 H GLY 102 H GLY 102 -2.263 63.648 75.400 781 HA2 GLY 102 HA2 GLY 102 -1.087 66.193 74.625 782 HA3 GLY 102 HA3 GLY 102 -0.788 65.693 76.283 783 H LEU 103 H LEU 103 -1.004 63.597 73.450 784 HA LEU 103 HA LEU 103 1.752 62.736 73.987 785 HG LEU 103 HG LEU 103 -1.581 61.960 72.565 786 HB2 LEU 103 HB2 LEU 103 1.150 60.716 72.701 787 HB3 LEU 103 HB3 LEU 103 0.163 60.953 74.142 788 HD11 LEU 103 HD11 LEU 103 -1.188 60.635 70.258 789 HD12 LEU 103 HD12 LEU 103 0.477 61.055 70.662 790 HD13 LEU 103 HD13 LEU 103 -0.740 62.323 70.508 791 HD21 LEU 103 HD21 LEU 103 -0.897 59.033 72.305 792 HD22 LEU 103 HD22 LEU 103 -2.474 59.769 72.017 793 HD23 LEU 103 HD23 LEU 103 -1.786 59.765 73.642 794 H ASP 104 H ASP 104 0.674 65.064 72.304 795 HA ASP 104 HA ASP 104 0.838 64.906 69.653 796 HB2 ASP 104 HB2 ASP 104 1.733 66.886 71.602 797 HB3 ASP 104 HB3 ASP 104 2.639 66.964 70.093 798 H THR 105 H THR 105 3.699 64.783 71.757 799 HA THR 105 HA THR 105 5.499 64.316 69.575 800 HB THR 105 HB THR 105 6.348 65.425 71.547 801 HG1 THR 105 HG1 THR 105 8.075 64.390 70.850 802 HG21 THR 105 HG21 THR 105 5.998 64.762 73.666 803 HG22 THR 105 HG22 THR 105 6.353 63.075 73.297 804 HG23 THR 105 HG23 THR 105 4.746 63.729 72.977 805 H ILE 106 H ILE 106 3.852 62.323 71.964 806 HA ILE 106 HA ILE 106 5.195 59.914 71.054 807 HB ILE 106 HB ILE 106 3.064 60.375 73.138 808 HG12 ILE 106 HG12 ILE 106 5.444 59.104 74.086 809 HG13 ILE 106 HG13 ILE 106 5.903 60.525 73.155 810 HG21 ILE 106 HG21 ILE 106 3.529 58.012 71.704 811 HG22 ILE 106 HG22 ILE 106 4.274 57.780 73.284 812 HG23 ILE 106 HG23 ILE 106 2.568 58.212 73.168 813 HD11 ILE 106 HD11 ILE 106 3.960 60.497 75.452 814 HD12 ILE 106 HD12 ILE 106 5.643 61.018 75.532 815 HD13 ILE 106 HD13 ILE 106 4.487 61.916 74.547 Start of MODEL 7 1 H LYS 1 H LYS 1 38.250 39.572 56.732 2 HA LYS 1 HA LYS 1 39.819 40.142 54.595 3 HB2 LYS 1 HB2 LYS 1 38.873 38.274 53.469 4 HB3 LYS 1 HB3 LYS 1 38.786 37.916 55.189 5 HG2 LYS 1 HG2 LYS 1 36.405 39.247 54.158 6 HG3 LYS 1 HG3 LYS 1 36.730 37.683 53.406 7 HD2 LYS 1 HD2 LYS 1 36.779 38.048 56.388 8 HD3 LYS 1 HD3 LYS 1 35.281 37.711 55.517 9 HE2 LYS 1 HE2 LYS 1 37.279 35.896 54.616 10 HE3 LYS 1 HE3 LYS 1 37.278 35.889 56.379 11 HZ1 LYS 1 HZ1 LYS 1 35.631 34.413 54.918 12 HZ2 LYS 1 HZ2 LYS 1 34.671 35.795 55.098 13 HZ3 LYS 1 HZ3 LYS 1 35.237 34.974 56.464 14 H GLN 2 H GLN 2 36.680 41.378 55.186 15 HA GLN 2 HA GLN 2 36.587 42.496 52.461 16 HB2 GLN 2 HB2 GLN 2 34.357 41.727 54.337 17 HB3 GLN 2 HB3 GLN 2 34.099 42.775 52.950 18 HG2 GLN 2 HG2 GLN 2 35.194 40.862 51.601 19 HG3 GLN 2 HG3 GLN 2 34.823 39.879 53.016 20 HE21 GLN 2 HE21 GLN 2 32.692 39.431 53.523 21 HE22 GLN 2 HE22 GLN 2 31.397 39.703 52.412 22 H GLN 3 H GLN 3 37.321 44.517 52.522 23 HA GLN 3 HA GLN 3 37.531 46.164 54.737 24 HB2 GLN 3 HB2 GLN 3 38.757 46.633 52.711 25 HB3 GLN 3 HB3 GLN 3 37.264 46.900 51.819 26 HG2 GLN 3 HG2 GLN 3 36.979 48.718 53.784 27 HG3 GLN 3 HG3 GLN 3 38.735 48.685 53.633 28 HE21 GLN 3 HE21 GLN 3 39.306 50.400 52.502 29 HE22 GLN 3 HE22 GLN 3 38.598 50.914 51.013 30 H LEU 4 H LEU 4 36.019 47.015 55.990 31 HA LEU 4 HA LEU 4 33.775 48.423 54.885 32 HG LEU 4 HG LEU 4 32.423 47.125 53.760 33 HB2 LEU 4 HB2 LEU 4 33.480 45.708 55.982 34 HB3 LEU 4 HB3 LEU 4 32.334 46.898 56.596 35 HD11 LEU 4 HD11 LEU 4 33.021 45.016 53.220 36 HD12 LEU 4 HD12 LEU 4 31.328 44.685 53.587 37 HD13 LEU 4 HD13 LEU 4 32.570 44.365 54.796 38 HD21 LEU 4 HD21 LEU 4 30.022 46.330 54.071 39 HD22 LEU 4 HD22 LEU 4 30.503 47.791 54.935 40 HD23 LEU 4 HD23 LEU 4 30.391 46.255 55.795 41 H GLN 5 H GLN 5 32.605 49.639 56.480 42 HA GLN 5 HA GLN 5 33.852 49.734 59.135 43 HB2 GLN 5 HB2 GLN 5 34.017 51.755 57.072 44 HB3 GLN 5 HB3 GLN 5 33.221 52.389 58.506 45 HG2 GLN 5 HG2 GLN 5 35.241 51.281 59.745 46 HG3 GLN 5 HG3 GLN 5 36.007 51.405 58.162 47 HE21 GLN 5 HE21 GLN 5 35.408 53.690 57.140 48 HE22 GLN 5 HE22 GLN 5 35.795 55.022 58.169 49 H GLU 6 H GLU 6 32.295 49.355 60.557 50 HA GLU 6 HA GLU 6 29.598 50.400 60.005 51 HB2 GLU 6 HB2 GLU 6 28.756 48.626 61.480 52 HB3 GLU 6 HB3 GLU 6 29.669 47.964 60.132 53 HG2 GLU 6 HG2 GLU 6 31.065 46.932 61.499 54 HG3 GLU 6 HG3 GLU 6 31.404 48.427 62.370 55 H HIS 7 H HIS 7 28.468 51.474 61.616 56 HA HIS 7 HA HIS 7 29.725 51.914 64.197 57 HD1 HIS 7 HD1 HIS 7 32.513 53.572 62.908 58 HD2 HIS 7 HD2 HIS 7 29.908 55.032 65.796 59 HE1 HIS 7 HE1 HIS 7 33.978 54.415 64.769 60 HB2 HIS 7 HB2 HIS 7 30.109 53.759 62.096 61 HB3 HIS 7 HB3 HIS 7 28.933 54.491 63.184 62 H ALA 8 H ALA 8 28.260 52.213 65.780 63 HA ALA 8 HA ALA 8 25.518 51.785 65.258 64 HB1 ALA 8 HB1 ALA 8 26.509 52.959 67.827 65 HB2 ALA 8 HB2 ALA 8 25.207 51.800 67.557 66 HB3 ALA 8 HB3 ALA 8 26.887 51.292 67.390 67 HA PRO 9 HA PRO 9 24.595 56.037 64.174 68 HB2 PRO 9 HB2 PRO 9 22.012 55.556 63.493 69 HB3 PRO 9 HB3 PRO 9 23.372 55.182 62.427 70 HG2 PRO 9 HG2 PRO 9 21.823 53.362 64.230 71 HG3 PRO 9 HG3 PRO 9 22.381 53.083 62.570 72 HD2 PRO 9 HD2 PRO 9 23.673 52.082 64.728 73 HD3 PRO 9 HD3 PRO 9 24.522 52.558 63.244 74 H SER 10 H SER 10 23.078 57.658 64.925 75 HA SER 10 HA SER 10 22.708 57.657 67.691 76 HG SER 10 HG SER 10 22.812 59.632 68.185 77 HB2 SER 10 HB2 SER 10 22.117 59.435 65.473 78 HB3 SER 10 HB3 SER 10 20.848 59.489 66.697 79 H HIS 11 H HIS 11 20.516 58.082 68.747 80 HA HIS 11 HA HIS 11 18.968 55.777 68.660 81 HD1 HIS 11 HD1 HIS 11 19.867 58.462 71.878 82 HD2 HIS 11 HD2 HIS 11 18.162 54.764 71.053 83 HE1 HIS 11 HE1 HIS 11 20.529 56.974 73.795 84 HB2 HIS 11 HB2 HIS 11 18.549 58.513 69.800 85 HB3 HIS 11 HB3 HIS 11 17.210 57.367 69.803 86 H ALA 12 H ALA 12 17.879 55.073 66.942 87 HA ALA 12 HA ALA 12 15.756 56.688 65.844 88 HB1 ALA 12 HB1 ALA 12 17.893 57.271 64.565 89 HB2 ALA 12 HB2 ALA 12 17.770 55.652 63.876 90 HB3 ALA 12 HB3 ALA 12 16.473 56.820 63.622 91 H ASN 13 H ASN 13 14.429 55.447 64.275 92 HA ASN 13 HA ASN 13 13.511 53.084 65.208 93 HB2 ASN 13 HB2 ASN 13 12.528 52.665 63.019 94 HB3 ASN 13 HB3 ASN 13 12.441 54.383 63.392 95 HD21 ASN 13 HD21 ASN 13 13.846 55.819 62.321 96 HD22 ASN 13 HD22 ASN 13 14.575 55.395 60.814 97 H LEU 14 H LEU 14 16.092 53.458 62.802 98 HA LEU 14 HA LEU 14 16.559 50.826 62.152 99 HG LEU 14 HG LEU 14 17.420 51.289 60.185 100 HB2 LEU 14 HB2 LEU 14 17.928 53.297 61.905 101 HB3 LEU 14 HB3 LEU 14 19.084 52.100 62.489 102 HD11 LEU 14 HD11 LEU 14 19.740 53.111 59.677 103 HD12 LEU 14 HD12 LEU 14 18.107 53.751 59.863 104 HD13 LEU 14 HD13 LEU 14 18.461 52.598 58.576 105 HD21 LEU 14 HD21 LEU 14 19.130 49.880 59.805 106 HD22 LEU 14 HD22 LEU 14 19.565 50.252 61.474 107 HD23 LEU 14 HD23 LEU 14 20.353 51.105 60.146 108 H ASP 15 H ASP 15 17.913 52.642 64.891 109 HA ASP 15 HA ASP 15 19.600 50.782 65.977 110 HB2 ASP 15 HB2 ASP 15 18.299 53.150 66.873 111 HB3 ASP 15 HB3 ASP 15 18.138 51.936 68.140 112 H VAL 16 H VAL 16 16.123 51.088 66.701 113 HA VAL 16 HA VAL 16 15.950 48.846 68.379 114 HB VAL 16 HB VAL 16 13.812 50.102 66.654 115 HG11 VAL 16 HG11 VAL 16 12.687 48.901 68.928 116 HG12 VAL 16 HG12 VAL 16 12.498 48.409 67.243 117 HG13 VAL 16 HG13 VAL 16 13.778 47.705 68.230 118 HG21 VAL 16 HG21 VAL 16 14.641 51.713 68.191 119 HG22 VAL 16 HG22 VAL 16 13.125 51.108 68.857 120 HG23 VAL 16 HG23 VAL 16 14.662 50.542 69.510 121 H LYS 17 H LYS 17 16.751 46.942 67.685 122 HA LYS 17 HA LYS 17 16.817 45.929 65.121 123 HB2 LYS 17 HB2 LYS 17 16.936 43.669 66.222 124 HB3 LYS 17 HB3 LYS 17 18.085 44.853 66.832 125 HG2 LYS 17 HG2 LYS 17 16.283 45.306 68.636 126 HG3 LYS 17 HG3 LYS 17 15.650 43.733 68.148 127 HD2 LYS 17 HD2 LYS 17 17.208 43.589 70.061 128 HD3 LYS 17 HD3 LYS 17 17.765 42.679 68.655 129 HE2 LYS 17 HE2 LYS 17 18.704 45.439 68.682 130 HE3 LYS 17 HE3 LYS 17 19.236 44.515 70.087 131 HZ1 LYS 17 HZ1 LYS 17 19.977 42.774 68.455 132 HZ2 LYS 17 HZ2 LYS 17 20.863 44.216 68.432 133 HZ3 LYS 17 HZ3 LYS 17 19.716 43.907 67.228 134 H TRP 18 H TRP 18 14.389 45.160 67.620 135 HA TRP 18 HA TRP 18 12.301 45.068 65.634 136 HD1 TRP 18 HD1 TRP 18 12.385 43.113 63.388 137 HE1 TRP 18 HE1 TRP 18 14.400 42.146 62.111 138 HE3 TRP 18 HE3 TRP 18 15.330 41.833 67.367 139 HZ2 TRP 18 HZ2 TRP 18 16.906 40.992 62.711 140 HZ3 TRP 18 HZ3 TRP 18 17.521 40.803 66.929 141 HH2 TRP 18 HH2 TRP 18 18.290 40.391 64.648 142 HB2 TRP 18 HB2 TRP 18 12.971 42.543 67.162 143 HB3 TRP 18 HB3 TRP 18 11.646 42.758 66.021 144 H LEU 19 H LEU 19 10.201 44.186 66.791 145 HA LEU 19 HA LEU 19 9.467 45.969 68.744 146 HG LEU 19 HG LEU 19 6.965 45.844 67.733 147 HB2 LEU 19 HB2 LEU 19 8.250 43.901 67.377 148 HB3 LEU 19 HB3 LEU 19 8.122 43.409 69.064 149 HD11 LEU 19 HD11 LEU 19 4.969 44.851 68.014 150 HD12 LEU 19 HD12 LEU 19 5.408 44.172 69.581 151 HD13 LEU 19 HD13 LEU 19 5.927 43.372 68.098 152 HD21 LEU 19 HD21 LEU 19 7.546 45.355 70.627 153 HD22 LEU 19 HD22 LEU 19 6.140 46.304 70.145 154 HD23 LEU 19 HD23 LEU 19 7.759 46.824 69.675 155 H ASP 20 H ASP 20 10.811 42.729 69.158 156 HA ASP 20 HA ASP 20 10.481 42.383 71.878 157 HB2 ASP 20 HB2 ASP 20 11.403 40.673 70.339 158 HB3 ASP 20 HB3 ASP 20 12.906 41.587 70.253 159 H GLY 21 H GLY 21 11.422 43.147 73.695 160 HA2 GLY 21 HA2 GLY 21 12.583 45.619 73.844 161 HA3 GLY 21 HA3 GLY 21 12.820 44.370 75.059 162 H LEU 22 H LEU 22 14.808 46.147 74.704 163 HA LEU 22 HA LEU 22 16.870 44.539 73.358 164 HG LEU 22 HG LEU 22 17.105 45.311 71.199 165 HB2 LEU 22 HB2 LEU 22 16.293 47.450 73.126 166 HB3 LEU 22 HB3 LEU 22 17.972 46.915 73.060 167 HD11 LEU 22 HD11 LEU 22 14.698 46.313 71.828 168 HD12 LEU 22 HD12 LEU 22 15.109 45.710 70.223 169 HD13 LEU 22 HD13 LEU 22 15.167 47.441 70.557 170 HD21 LEU 22 HD21 LEU 22 18.612 46.771 70.360 171 HD22 LEU 22 HD22 LEU 22 17.851 48.167 71.124 172 HD23 LEU 22 HD23 LEU 22 17.174 47.495 69.640 173 H ARG 23 H ARG 23 19.074 44.964 74.175 174 HA ARG 23 HA ARG 23 19.331 44.575 76.874 175 HE ARG 23 HE ARG 23 23.034 41.876 74.870 176 HB2 ARG 23 HB2 ARG 23 21.182 45.556 74.755 177 HB3 ARG 23 HB3 ARG 23 21.701 45.699 76.430 178 HG2 ARG 23 HG2 ARG 23 22.513 43.639 76.090 179 HG3 ARG 23 HG3 ARG 23 20.849 43.139 76.399 180 HD2 ARG 23 HD2 ARG 23 20.428 42.697 74.197 181 HD3 ARG 23 HD3 ARG 23 21.588 43.894 73.623 182 HH11 ARG 23 HH11 ARG 23 20.948 42.253 72.108 183 HH12 ARG 23 HH12 ARG 23 21.712 40.995 71.195 184 HH21 ARG 23 HH21 ARG 23 24.049 40.217 73.677 185 HH22 ARG 23 HH22 ARG 23 23.475 39.837 72.088 186 H ALA 24 H ALA 24 19.778 47.675 75.171 187 HA ALA 24 HA ALA 24 20.320 49.305 77.320 188 HB1 ALA 24 HB1 ALA 24 20.130 50.991 75.853 189 HB2 ALA 24 HB2 ALA 24 19.901 49.708 74.663 190 HB3 ALA 24 HB3 ALA 24 18.501 50.518 75.368 191 H GLY 25 H GLY 25 17.103 48.522 75.993 192 HA2 GLY 25 HA2 GLY 25 15.422 47.978 77.778 193 HA3 GLY 25 HA3 GLY 25 15.946 49.472 78.539 194 H SER 26 H SER 26 14.784 48.360 75.356 195 HA SER 26 HA SER 26 13.580 50.923 74.816 196 HG SER 26 HG SER 26 13.168 47.782 72.268 197 HB2 SER 26 HB2 SER 26 13.029 50.045 72.675 198 HB3 SER 26 HB3 SER 26 14.609 49.369 73.074 199 H MET 27 H MET 27 12.695 48.760 76.949 200 HA MET 27 HA MET 27 9.899 48.462 76.226 201 HB2 MET 27 HB2 MET 27 11.399 47.615 78.710 202 HB3 MET 27 HB3 MET 27 9.723 47.219 78.356 203 HG2 MET 27 HG2 MET 27 10.673 45.314 77.613 204 HG3 MET 27 HG3 MET 27 10.832 46.265 76.138 205 HE1 MET 27 HE1 MET 27 12.302 45.394 79.443 206 HE2 MET 27 HE2 MET 27 14.011 45.073 79.146 207 HE3 MET 27 HE3 MET 27 13.457 46.727 79.404 208 H ALA 28 H ALA 28 11.867 50.191 78.597 209 HA ALA 28 HA ALA 28 9.893 51.266 80.204 210 HB1 ALA 28 HB1 ALA 28 12.263 52.904 79.384 211 HB2 ALA 28 HB2 ALA 28 11.474 52.792 80.958 212 HB3 ALA 28 HB3 ALA 28 12.460 51.453 80.369 213 H LEU 29 H LEU 29 8.532 52.997 80.103 214 HA LEU 29 HA LEU 29 7.149 54.533 79.152 215 HG LEU 29 HG LEU 29 7.883 56.704 79.780 216 HB2 LEU 29 HB2 LEU 29 9.832 55.204 78.048 217 HB3 LEU 29 HB3 LEU 29 8.419 56.028 77.392 218 HD11 LEU 29 HD11 LEU 29 9.354 55.029 80.847 219 HD12 LEU 29 HD12 LEU 29 9.674 56.677 81.387 220 HD13 LEU 29 HD13 LEU 29 10.753 55.905 80.226 221 HD21 LEU 29 HD21 LEU 29 9.328 57.925 77.841 222 HD22 LEU 29 HD22 LEU 29 10.477 57.944 79.179 223 HD23 LEU 29 HD23 LEU 29 8.883 58.675 79.374 224 H GLN 30 H GLN 30 6.944 52.008 78.051 225 HA GLN 30 HA GLN 30 6.449 50.820 76.134 226 HB2 GLN 30 HB2 GLN 30 4.386 51.465 75.363 227 HB3 GLN 30 HB3 GLN 30 4.476 52.430 76.831 228 HG2 GLN 30 HG2 GLN 30 5.565 54.170 75.140 229 HG3 GLN 30 HG3 GLN 30 4.572 53.267 73.998 230 HE21 GLN 30 HE21 GLN 30 4.624 55.580 76.504 231 HE22 GLN 30 HE22 GLN 30 2.927 55.899 76.561 232 H GLY 31 H GLY 31 8.860 52.378 75.832 233 HA2 GLY 31 HA2 GLY 31 9.204 53.955 73.669 234 HA3 GLY 31 HA3 GLY 31 10.336 52.673 74.072 235 H ASP 32 H ASP 32 8.335 50.569 73.579 236 HA ASP 32 HA ASP 32 8.950 49.954 70.939 237 HB2 ASP 32 HB2 ASP 32 6.585 48.996 72.567 238 HB3 ASP 32 HB3 ASP 32 7.196 48.230 71.103 239 H VAL 33 H VAL 33 5.775 51.010 72.186 240 HA VAL 33 HA VAL 33 4.881 51.626 69.499 241 HB VAL 33 HB VAL 33 3.428 52.127 72.097 242 HG11 VAL 33 HG11 VAL 33 2.400 51.819 69.278 243 HG12 VAL 33 HG12 VAL 33 1.430 52.136 70.718 244 HG13 VAL 33 HG13 VAL 33 2.575 53.347 70.141 245 HG21 VAL 33 HG21 VAL 33 3.366 49.697 70.310 246 HG22 VAL 33 HG22 VAL 33 4.007 49.776 71.950 247 HG23 VAL 33 HG23 VAL 33 2.280 49.991 71.668 248 H LYS 34 H LYS 34 5.712 53.360 72.461 249 HA LYS 34 HA LYS 34 4.906 55.902 71.959 250 HB2 LYS 34 HB2 LYS 34 6.014 55.691 73.973 251 HB3 LYS 34 HB3 LYS 34 7.345 54.784 73.267 252 HG2 LYS 34 HG2 LYS 34 8.092 56.896 72.160 253 HG3 LYS 34 HG3 LYS 34 6.856 57.748 73.088 254 HD2 LYS 34 HD2 LYS 34 8.241 57.872 74.822 255 HD3 LYS 34 HD3 LYS 34 8.332 56.110 74.881 256 HE2 LYS 34 HE2 LYS 34 9.976 56.691 72.782 257 HE3 LYS 34 HE3 LYS 34 10.250 58.069 73.845 258 HZ1 LYS 34 HZ1 LYS 34 11.452 55.651 74.063 259 HZ2 LYS 34 HZ2 LYS 34 10.232 55.555 75.232 260 HZ3 LYS 34 HZ3 LYS 34 11.363 56.812 75.289 261 H VAL 35 H VAL 35 7.457 54.163 70.334 262 HA VAL 35 HA VAL 35 8.347 56.539 68.904 263 HB VAL 35 HB VAL 35 10.124 55.263 68.055 264 HG11 VAL 35 HG11 VAL 35 9.418 54.831 70.873 265 HG12 VAL 35 HG12 VAL 35 10.638 53.729 70.232 266 HG13 VAL 35 HG13 VAL 35 10.896 55.472 70.157 267 HG21 VAL 35 HG21 VAL 35 10.221 52.833 68.081 268 HG22 VAL 35 HG22 VAL 35 8.651 52.763 68.883 269 HG23 VAL 35 HG23 VAL 35 8.773 53.379 67.235 270 H TRP 36 H TRP 36 6.389 53.699 68.411 271 HA TRP 36 HA TRP 36 6.298 53.434 65.690 272 HD1 TRP 36 HD1 TRP 36 7.225 51.757 67.194 273 HE1 TRP 36 HE1 TRP 36 7.299 49.185 67.255 274 HE3 TRP 36 HE3 TRP 36 2.244 50.784 66.572 275 HZ2 TRP 36 HZ2 TRP 36 5.487 47.029 67.064 276 HZ3 TRP 36 HZ3 TRP 36 1.497 48.441 66.522 277 HH2 TRP 36 HH2 TRP 36 3.087 46.604 66.763 278 HB2 TRP 36 HB2 TRP 36 4.176 53.137 67.795 279 HB3 TRP 36 HB3 TRP 36 3.790 52.882 66.096 280 H MET 37 H MET 37 5.295 56.129 67.542 281 HA MET 37 HA MET 37 3.465 57.194 65.591 282 HB2 MET 37 HB2 MET 37 3.861 57.646 68.259 283 HB3 MET 37 HB3 MET 37 4.622 59.061 67.544 284 HG2 MET 37 HG2 MET 37 2.666 59.927 66.835 285 HG3 MET 37 HG3 MET 37 1.965 58.347 66.491 286 HE1 MET 37 HE1 MET 37 1.768 56.647 68.478 287 HE2 MET 37 HE2 MET 37 2.660 57.207 69.891 288 HE3 MET 37 HE3 MET 37 0.903 57.073 69.955 289 H GLN 38 H GLN 38 6.659 58.232 66.798 290 HA GLN 38 HA GLN 38 7.072 60.231 64.882 291 HB2 GLN 38 HB2 GLN 38 9.264 60.372 65.682 292 HB3 GLN 38 HB3 GLN 38 8.361 59.761 67.061 293 HG2 GLN 38 HG2 GLN 38 9.160 57.545 66.695 294 HG3 GLN 38 HG3 GLN 38 9.889 58.006 65.158 295 HE21 GLN 38 HE21 GLN 38 11.656 59.552 65.234 296 HE22 GLN 38 HE22 GLN 38 12.710 59.557 66.603 297 H ASN 39 H ASN 39 7.602 56.778 64.780 298 HA ASN 39 HA ASN 39 9.330 56.589 62.609 299 HB2 ASN 39 HB2 ASN 39 7.702 54.816 64.140 300 HB3 ASN 39 HB3 ASN 39 7.438 54.465 62.434 301 HD21 ASN 39 HD21 ASN 39 9.671 54.637 61.188 302 HD22 ASN 39 HD22 ASN 39 10.922 53.669 61.882 303 H LEU 40 H LEU 40 5.806 56.879 62.685 304 HA LEU 40 HA LEU 40 5.572 56.736 59.817 305 HG LEU 40 HG LEU 40 3.959 56.567 63.148 306 HB2 LEU 40 HB2 LEU 40 3.303 57.871 61.241 307 HB3 LEU 40 HB3 LEU 40 3.389 56.460 60.189 308 HD11 LEU 40 HD11 LEU 40 1.661 55.833 61.497 309 HD12 LEU 40 HD12 LEU 40 1.746 56.253 63.208 310 HD13 LEU 40 HD13 LEU 40 2.115 54.609 62.684 311 HD21 LEU 40 HD21 LEU 40 4.685 54.586 61.076 312 HD22 LEU 40 HD22 LEU 40 4.013 53.954 62.581 313 HD23 LEU 40 HD23 LEU 40 5.463 54.960 62.615 314 H GLU 41 H GLU 41 5.363 59.263 62.292 315 HA GLU 41 HA GLU 41 4.537 61.427 60.869 316 HB2 GLU 41 HB2 GLU 41 5.568 61.108 63.336 317 HB3 GLU 41 HB3 GLU 41 6.927 61.906 62.555 318 HG2 GLU 41 HG2 GLU 41 5.577 63.796 61.991 319 HG3 GLU 41 HG3 GLU 41 4.118 62.979 62.547 320 H ASP 42 H ASP 42 7.809 60.071 60.904 321 HA ASP 42 HA ASP 42 8.762 62.025 58.994 322 HB2 ASP 42 HB2 ASP 42 9.961 60.323 60.897 323 HB3 ASP 42 HB3 ASP 42 10.544 59.789 59.323 324 H LEU 43 H LEU 43 7.340 58.902 58.943 325 HA LEU 43 HA LEU 43 8.363 58.152 56.356 326 HG LEU 43 HG LEU 43 6.810 54.823 56.804 327 HB2 LEU 43 HB2 LEU 43 7.465 56.686 58.367 328 HB3 LEU 43 HB3 LEU 43 5.934 56.891 57.519 329 HD11 LEU 43 HD11 LEU 43 5.892 56.024 54.970 330 HD12 LEU 43 HD12 LEU 43 7.369 55.249 54.398 331 HD13 LEU 43 HD13 LEU 43 7.366 56.973 54.770 332 HD21 LEU 43 HD21 LEU 43 9.391 55.992 55.876 333 HD22 LEU 43 HD22 LEU 43 9.005 54.337 56.347 334 HD23 LEU 43 HD23 LEU 43 9.198 55.581 57.581 335 H HIS 44 H HIS 44 5.077 58.853 57.565 336 HA HIS 44 HA HIS 44 3.656 58.912 55.266 337 HD1 HIS 44 HD1 HIS 44 0.543 59.128 56.093 338 HD2 HIS 44 HD2 HIS 44 2.290 62.884 55.780 339 HE1 HIS 44 HE1 HIS 44 -1.168 60.573 54.949 340 HB2 HIS 44 HB2 HIS 44 2.678 59.377 57.469 341 HB3 HIS 44 HB3 HIS 44 3.459 60.954 57.490 342 H THR 45 H THR 45 5.979 61.309 56.324 343 HA THR 45 HA THR 45 5.422 63.455 54.709 344 HB THR 45 HB THR 45 7.370 63.082 56.404 345 HG1 THR 45 HG1 THR 45 6.803 64.958 54.812 346 HG21 THR 45 HG21 THR 45 8.417 61.293 54.979 347 HG22 THR 45 HG22 THR 45 9.507 62.593 55.458 348 HG23 THR 45 HG23 THR 45 8.842 62.558 53.825 349 H ARG 46 H ARG 46 7.127 60.480 53.840 350 HA ARG 46 HA ARG 46 7.397 61.399 51.081 351 HE ARG 46 HE ARG 46 11.121 62.019 49.689 352 HB2 ARG 46 HB2 ARG 46 8.912 59.693 52.768 353 HB3 ARG 46 HB3 ARG 46 8.303 58.710 51.443 354 HG2 ARG 46 HG2 ARG 46 10.278 59.444 50.561 355 HG3 ARG 46 HG3 ARG 46 9.177 60.692 49.973 356 HD2 ARG 46 HD2 ARG 46 9.793 62.043 52.001 357 HD3 ARG 46 HD3 ARG 46 11.043 60.845 52.332 358 HH11 ARG 46 HH11 ARG 46 12.256 62.157 52.978 359 HH12 ARG 46 HH12 ARG 46 13.676 63.068 52.587 360 HH21 ARG 46 HH21 ARG 46 12.988 63.219 49.162 361 HH22 ARG 46 HH22 ARG 46 14.091 63.673 50.417 362 H ARG 47 H ARG 47 6.158 58.526 52.794 363 HA ARG 47 HA ARG 47 4.026 58.333 50.796 364 HE ARG 47 HE ARG 47 4.041 55.886 47.275 365 HB2 ARG 47 HB2 ARG 47 5.928 56.798 50.181 366 HB3 ARG 47 HB3 ARG 47 5.630 55.933 51.682 367 HG2 ARG 47 HG2 ARG 47 3.723 54.970 50.914 368 HG3 ARG 47 HG3 ARG 47 3.330 56.330 49.858 369 HD2 ARG 47 HD2 ARG 47 5.686 54.565 49.297 370 HD3 ARG 47 HD3 ARG 47 4.063 54.097 48.792 371 HH11 ARG 47 HH11 ARG 47 7.015 55.717 49.077 372 HH12 ARG 47 HH12 ARG 47 7.881 56.760 47.997 373 HH21 ARG 47 HH21 ARG 47 5.170 57.260 45.846 374 HH22 ARG 47 HH22 ARG 47 6.829 57.638 46.160 375 HA PRO 48 HA PRO 48 1.752 57.916 54.598 376 HB2 PRO 48 HB2 PRO 48 -0.690 57.651 53.441 377 HB3 PRO 48 HB3 PRO 48 0.139 59.204 53.589 378 HG2 PRO 48 HG2 PRO 48 -0.038 57.370 51.231 379 HG3 PRO 48 HG3 PRO 48 -0.186 59.136 51.288 380 HD2 PRO 48 HD2 PRO 48 2.089 57.889 50.513 381 HD3 PRO 48 HD3 PRO 48 2.097 59.450 51.357 382 H ASP 49 H ASP 49 1.017 55.779 51.840 383 HA ASP 49 HA ASP 49 -0.113 53.709 53.401 384 HB2 ASP 49 HB2 ASP 49 -0.406 54.060 50.910 385 HB3 ASP 49 HB3 ASP 49 1.207 53.382 50.704 386 H GLU 50 H GLU 50 3.116 54.676 52.856 387 HA GLU 50 HA GLU 50 4.232 52.067 53.506 388 HB2 GLU 50 HB2 GLU 50 5.181 53.849 51.828 389 HB3 GLU 50 HB3 GLU 50 5.872 54.561 53.279 390 HG2 GLU 50 HG2 GLU 50 6.918 52.343 53.765 391 HG3 GLU 50 HG3 GLU 50 6.368 51.808 52.179 392 H PHE 51 H PHE 51 3.203 54.873 55.110 393 HA PHE 51 HA PHE 51 4.921 55.234 57.207 394 HD1 PHE 51 HD1 PHE 51 3.084 54.518 59.897 395 HD2 PHE 51 HD2 PHE 51 0.224 55.484 56.897 396 HE1 PHE 51 HE1 PHE 51 1.317 53.466 61.249 397 HE2 PHE 51 HE2 PHE 51 -1.547 54.436 58.244 398 HZ PHE 51 HZ PHE 51 -1.003 53.426 60.423 399 HB2 PHE 51 HB2 PHE 51 3.279 56.518 58.063 400 HB3 PHE 51 HB3 PHE 51 2.398 56.119 56.592 401 H THR 52 H THR 52 2.334 52.816 56.976 402 HA THR 52 HA THR 52 2.731 51.678 59.524 403 HB THR 52 HB THR 52 1.340 49.880 58.824 404 HG1 THR 52 HG1 THR 52 1.338 50.581 56.122 405 HG21 THR 52 HG21 THR 52 -0.327 51.276 57.237 406 HG22 THR 52 HG22 THR 52 0.675 52.589 57.850 407 HG23 THR 52 HG23 THR 52 -0.192 51.544 58.975 408 H ALA 53 H ALA 53 4.350 51.240 56.478 409 HA ALA 53 HA ALA 53 5.529 48.739 56.878 410 HB1 ALA 53 HB1 ALA 53 5.607 50.649 54.909 411 HB2 ALA 53 HB2 ALA 53 7.261 50.650 55.519 412 HB3 ALA 53 HB3 ALA 53 6.539 49.152 54.929 413 H ARG 54 H ARG 54 6.099 51.724 58.446 414 HA ARG 54 HA ARG 54 8.817 51.301 59.185 415 HE ARG 54 HE ARG 54 9.398 52.468 57.269 416 HB2 ARG 54 HB2 ARG 54 6.636 53.142 60.099 417 HB3 ARG 54 HB3 ARG 54 8.119 53.015 61.036 418 HG2 ARG 54 HG2 ARG 54 7.905 53.815 58.141 419 HG3 ARG 54 HG3 ARG 54 8.234 54.885 59.505 420 HD2 ARG 54 HD2 ARG 54 10.371 54.527 58.809 421 HD3 ARG 54 HD3 ARG 54 10.202 53.154 59.902 422 HH11 ARG 54 HH11 ARG 54 12.208 53.032 59.243 423 HH12 ARG 54 HH12 ARG 54 13.238 52.002 58.303 424 HH21 ARG 54 HH21 ARG 54 10.741 51.109 56.022 425 HH22 ARG 54 HH22 ARG 54 12.402 50.910 56.471 426 H LEU 55 H LEU 55 5.936 51.339 61.290 427 HA LEU 55 HA LEU 55 7.278 49.744 63.271 428 HG LEU 55 HG LEU 55 3.260 51.066 63.863 429 HB2 LEU 55 HB2 LEU 55 5.375 50.064 64.616 430 HB3 LEU 55 HB3 LEU 55 5.613 51.575 63.740 431 HD11 LEU 55 HD11 LEU 55 4.288 50.524 61.081 432 HD12 LEU 55 HD12 LEU 55 4.129 52.119 61.815 433 HD13 LEU 55 HD13 LEU 55 2.693 51.140 61.515 434 HD21 LEU 55 HD21 LEU 55 3.445 48.649 62.179 435 HD22 LEU 55 HD22 LEU 55 2.319 49.050 63.476 436 HD23 LEU 55 HD23 LEU 55 3.938 48.466 63.864 437 H GLN 56 H GLN 56 5.384 49.117 60.512 438 HA GLN 56 HA GLN 56 3.970 46.833 61.148 439 HB2 GLN 56 HB2 GLN 56 3.616 47.701 59.000 440 HB3 GLN 56 HB3 GLN 56 5.334 47.726 58.627 441 HG2 GLN 56 HG2 GLN 56 5.095 45.797 57.583 442 HG3 GLN 56 HG3 GLN 56 4.690 45.045 59.125 443 HE21 GLN 56 HE21 GLN 56 3.716 45.100 56.121 444 HE22 GLN 56 HE22 GLN 56 2.000 45.003 56.306 445 H GLN 57 H GLN 57 7.273 46.940 59.800 446 HA GLN 57 HA GLN 57 7.845 44.242 59.917 447 HB2 GLN 57 HB2 GLN 57 9.357 46.709 59.684 448 HB3 GLN 57 HB3 GLN 57 10.249 45.486 60.581 449 HG2 GLN 57 HG2 GLN 57 8.950 44.787 57.985 450 HG3 GLN 57 HG3 GLN 57 10.493 45.639 58.007 451 HE21 GLN 57 HE21 GLN 57 10.725 43.398 56.810 452 HE22 GLN 57 HE22 GLN 57 11.404 42.149 57.791 453 H SER 58 H SER 58 7.799 46.602 62.486 454 HA SER 58 HA SER 58 9.174 44.968 64.395 455 HG SER 58 HG SER 58 10.248 47.204 65.025 456 HB2 SER 58 HB2 SER 58 7.447 47.430 64.743 457 HB3 SER 58 HB3 SER 58 8.363 46.664 66.041 458 H THR 59 H THR 59 5.769 45.957 64.032 459 HA THR 59 HA THR 59 4.572 44.635 66.069 460 HB THR 59 HB THR 59 3.457 44.564 63.263 461 HG1 THR 59 HG1 THR 59 4.139 46.689 64.749 462 HG21 THR 59 HG21 THR 59 1.880 44.989 65.767 463 HG22 THR 59 HG22 THR 59 2.369 43.357 65.313 464 HG23 THR 59 HG23 THR 59 1.367 44.314 64.220 465 H ASP 60 H ASP 60 6.084 43.201 63.296 466 HA ASP 60 HA ASP 60 4.942 40.719 63.116 467 HB2 ASP 60 HB2 ASP 60 7.356 41.922 62.265 468 HB3 ASP 60 HB3 ASP 60 7.794 40.395 63.026 469 H ALA 61 H ALA 61 7.578 41.653 65.322 470 HA ALA 61 HA ALA 61 8.027 39.277 66.606 471 HB1 ALA 61 HB1 ALA 61 8.002 41.355 68.574 472 HB2 ALA 61 HB2 ALA 61 9.378 40.553 67.815 473 HB3 ALA 61 HB3 ALA 61 8.662 41.977 67.060 474 H LEU 62 H LEU 62 5.376 41.538 67.122 475 HA LEU 62 HA LEU 62 4.330 40.060 69.370 476 HG LEU 62 HG LEU 62 2.705 41.212 70.640 477 HB2 LEU 62 HB2 LEU 62 4.148 42.580 68.953 478 HB3 LEU 62 HB3 LEU 62 2.869 42.169 67.811 479 HD11 LEU 62 HD11 LEU 62 2.756 43.971 69.816 480 HD12 LEU 62 HD12 LEU 62 2.637 43.283 71.436 481 HD13 LEU 62 HD13 LEU 62 1.179 43.539 70.477 482 HD21 LEU 62 HD21 LEU 62 1.153 40.443 68.812 483 HD22 LEU 62 HD22 LEU 62 0.555 42.100 68.730 484 HD23 LEU 62 HD23 LEU 62 0.371 41.169 70.217 485 H TYR 63 H TYR 63 3.222 40.746 66.053 486 HA TYR 63 HA TYR 63 0.907 39.341 65.935 487 HD1 TYR 63 HD1 TYR 63 3.904 37.639 63.525 488 HD2 TYR 63 HD2 TYR 63 -0.086 38.816 62.631 489 HE1 TYR 63 HE1 TYR 63 3.695 35.737 61.979 490 HE2 TYR 63 HE2 TYR 63 -0.306 36.916 61.083 491 HH TYR 63 HH TYR 63 1.404 35.478 59.684 492 HB2 TYR 63 HB2 TYR 63 1.287 40.246 63.891 493 HB3 TYR 63 HB3 TYR 63 3.024 39.978 63.982 494 H SER 64 H SER 64 4.160 37.967 65.552 495 HA SER 64 HA SER 64 3.182 35.283 65.295 496 HG SER 64 HG SER 64 5.990 33.898 64.895 497 HB2 SER 64 HB2 SER 64 5.243 35.722 64.205 498 HB3 SER 64 HB3 SER 64 5.936 36.465 65.646 499 H HIS 65 H HIS 65 4.682 37.190 67.871 500 HA HIS 65 HA HIS 65 5.029 35.219 69.784 501 HD1 HIS 65 HD1 HIS 65 4.468 39.058 72.518 502 HD2 HIS 65 HD2 HIS 65 5.164 34.969 72.290 503 HE1 HIS 65 HE1 HIS 65 4.496 38.247 74.899 504 HB2 HIS 65 HB2 HIS 65 5.889 37.458 70.116 505 HB3 HIS 65 HB3 HIS 65 4.258 38.120 70.154 506 H LEU 66 H LEU 66 2.122 37.037 68.951 507 HA LEU 66 HA LEU 66 0.551 35.935 71.077 508 HG LEU 66 HG LEU 66 -1.945 36.277 70.665 509 HB2 LEU 66 HB2 LEU 66 0.179 38.142 69.876 510 HB3 LEU 66 HB3 LEU 66 -0.489 37.191 68.551 511 HD11 LEU 66 HD11 LEU 66 -2.317 39.080 71.240 512 HD12 LEU 66 HD12 LEU 66 -0.693 38.545 71.668 513 HD13 LEU 66 HD13 LEU 66 -2.099 37.723 72.344 514 HD21 LEU 66 HD21 LEU 66 -3.351 36.781 69.007 515 HD22 LEU 66 HD22 LEU 66 -2.317 38.079 68.409 516 HD23 LEU 66 HD23 LEU 66 -3.442 38.387 69.732 517 H GLU 67 H GLU 67 0.342 35.553 67.532 518 HA GLU 67 HA GLU 67 -1.475 33.479 67.467 519 HB2 GLU 67 HB2 GLU 67 -0.406 34.825 65.534 520 HB3 GLU 67 HB3 GLU 67 0.839 33.585 65.552 521 HG2 GLU 67 HG2 GLU 67 -1.307 32.008 65.462 522 HG3 GLU 67 HG3 GLU 67 -1.978 33.436 64.676 523 H ALA 68 H ALA 68 1.970 33.379 68.097 524 HA ALA 68 HA ALA 68 2.086 30.491 68.025 525 HB1 ALA 68 HB1 ALA 68 4.265 32.125 69.222 526 HB2 ALA 68 HB2 ALA 68 4.357 30.693 68.196 527 HB3 ALA 68 HB3 ALA 68 3.960 32.260 67.490 528 H GLN 69 H GLN 69 2.724 32.922 70.562 529 HA GLN 69 HA GLN 69 2.730 31.067 72.682 530 HB2 GLN 69 HB2 GLN 69 3.610 33.507 72.591 531 HB3 GLN 69 HB3 GLN 69 1.970 33.950 73.043 532 HG2 GLN 69 HG2 GLN 69 3.215 33.857 75.039 533 HG3 GLN 69 HG3 GLN 69 2.208 32.411 75.011 534 HE21 GLN 69 HE21 GLN 69 3.645 31.454 76.510 535 HE22 GLN 69 HE22 GLN 69 5.158 30.800 75.996 536 H TRP 70 H TRP 70 0.238 33.452 71.769 537 HA TRP 70 HA TRP 70 -1.723 32.800 73.557 538 HD1 TRP 70 HD1 TRP 70 -4.819 32.352 71.220 539 HE1 TRP 70 HE1 TRP 70 -6.822 33.423 72.431 540 HE3 TRP 70 HE3 TRP 70 -2.388 36.182 73.577 541 HZ2 TRP 70 HZ2 TRP 70 -7.307 35.604 74.156 542 HZ3 TRP 70 HZ3 TRP 70 -3.695 37.717 74.989 543 HH2 TRP 70 HH2 TRP 70 -6.103 37.432 75.271 544 HB2 TRP 70 HB2 TRP 70 -1.744 34.604 71.743 545 HB3 TRP 70 HB3 TRP 70 -2.351 33.354 70.660 546 H ALA 71 H ALA 71 -0.776 31.040 70.681 547 HA ALA 71 HA ALA 71 -2.894 29.366 70.238 548 HB1 ALA 71 HB1 ALA 71 -1.373 27.821 69.261 549 HB2 ALA 71 HB2 ALA 71 -0.732 29.438 68.969 550 HB3 ALA 71 HB3 ALA 71 -0.033 28.427 70.235 551 H LYS 72 H LYS 72 -0.433 29.091 72.759 552 HA LYS 72 HA LYS 72 -0.957 26.586 73.761 553 HB2 LYS 72 HB2 LYS 72 0.360 28.950 74.669 554 HB3 LYS 72 HB3 LYS 72 -0.611 28.321 75.992 555 HG2 LYS 72 HG2 LYS 72 1.298 27.159 76.363 556 HG3 LYS 72 HG3 LYS 72 0.514 26.043 75.243 557 HD2 LYS 72 HD2 LYS 72 2.189 28.181 74.061 558 HD3 LYS 72 HD3 LYS 72 3.029 26.890 74.923 559 HE2 LYS 72 HE2 LYS 72 2.696 25.459 73.250 560 HE3 LYS 72 HE3 LYS 72 0.972 25.823 73.204 561 HZ1 LYS 72 HZ1 LYS 72 3.166 27.166 71.748 562 HZ2 LYS 72 HZ2 LYS 72 1.657 27.902 71.949 563 HZ3 LYS 72 HZ3 LYS 72 1.777 26.435 71.118 564 H GLN 73 H GLN 73 -2.867 29.490 74.064 565 HA GLN 73 HA GLN 73 -4.513 28.721 76.205 566 HB2 GLN 73 HB2 GLN 73 -4.916 30.599 73.889 567 HB3 GLN 73 HB3 GLN 73 -6.173 30.332 75.088 568 HG2 GLN 73 HG2 GLN 73 -3.390 31.258 75.751 569 HG3 GLN 73 HG3 GLN 73 -4.757 32.340 75.485 570 HE21 GLN 73 HE21 GLN 73 -6.698 31.864 76.857 571 HE22 GLN 73 HE22 GLN 73 -6.409 31.442 78.507 572 H HIS 74 H HIS 74 -5.311 28.682 72.725 573 HA HIS 74 HA HIS 74 -6.836 26.216 73.171 574 HD1 HIS 74 HD1 HIS 74 -9.920 29.705 72.987 575 HD2 HIS 74 HD2 HIS 74 -8.284 26.424 74.943 576 HE1 HIS 74 HE1 HIS 74 -11.011 29.659 75.253 577 HB2 HIS 74 HB2 HIS 74 -7.849 28.719 71.821 578 HB3 HIS 74 HB3 HIS 74 -8.611 27.144 71.618 579 H GLY 75 H GLY 75 -5.766 28.507 70.652 580 HA2 GLY 75 HA2 GLY 75 -4.236 27.893 68.928 581 HA3 GLY 75 HA3 GLY 75 -4.720 26.216 69.139 582 H THR 76 H THR 76 -7.518 27.880 69.231 583 HA THR 76 HA THR 76 -8.088 27.260 66.439 584 HB THR 76 HB THR 76 -10.083 26.644 67.206 585 HG1 THR 76 HG1 THR 76 -11.456 28.307 68.184 586 HG21 THR 76 HG21 THR 76 -8.924 26.135 69.302 587 HG22 THR 76 HG22 THR 76 -10.580 26.659 69.605 588 HG23 THR 76 HG23 THR 76 -9.239 27.771 69.879 589 HA PRO 77 HA PRO 77 -9.503 31.874 66.669 590 HB2 PRO 77 HB2 PRO 77 -8.865 33.264 68.912 591 HB3 PRO 77 HB3 PRO 77 -10.372 32.358 68.740 592 HG2 PRO 77 HG2 PRO 77 -7.839 31.575 70.131 593 HG3 PRO 77 HG3 PRO 77 -9.518 31.364 70.661 594 HD2 PRO 77 HD2 PRO 77 -8.071 29.353 69.566 595 HD3 PRO 77 HD3 PRO 77 -9.828 29.493 69.351 596 HA PRO 78 HA PRO 78 -4.883 33.227 67.536 597 HB2 PRO 78 HB2 PRO 78 -3.181 31.124 67.767 598 HB3 PRO 78 HB3 PRO 78 -3.961 31.887 69.158 599 HG2 PRO 78 HG2 PRO 78 -4.714 29.382 67.704 600 HG3 PRO 78 HG3 PRO 78 -4.671 29.693 69.449 601 HD2 PRO 78 HD2 PRO 78 -6.969 29.732 68.018 602 HD3 PRO 78 HD3 PRO 78 -6.709 30.770 69.435 603 H THR 79 H THR 79 -5.129 33.803 65.358 604 HA THR 79 HA THR 79 -3.515 32.255 63.523 605 HB THR 79 HB THR 79 -5.270 32.269 61.737 606 HG1 THR 79 HG1 THR 79 -6.598 33.689 63.524 607 HG21 THR 79 HG21 THR 79 -4.763 30.217 62.941 608 HG22 THR 79 HG22 THR 79 -6.490 30.309 62.599 609 HG23 THR 79 HG23 THR 79 -5.893 30.665 64.219 610 H ALA 80 H ALA 80 -2.938 33.428 61.612 611 HA ALA 80 HA ALA 80 -2.242 36.046 61.946 612 HB1 ALA 80 HB1 ALA 80 -2.560 34.286 59.600 613 HB2 ALA 80 HB2 ALA 80 -2.490 36.017 59.272 614 HB3 ALA 80 HB3 ALA 80 -1.169 35.228 60.134 615 H SER 81 H SER 81 -5.368 34.815 61.276 616 HA SER 81 HA SER 81 -6.427 37.235 60.132 617 HG SER 81 HG SER 81 -9.636 35.426 60.716 618 HB2 SER 81 HB2 SER 81 -7.571 35.309 59.429 619 HB3 SER 81 HB3 SER 81 -7.632 34.638 61.059 620 H ASP 82 H ASP 82 -6.807 35.551 63.247 621 HA ASP 82 HA ASP 82 -8.290 37.704 64.417 622 HB2 ASP 82 HB2 ASP 82 -6.919 35.365 65.762 623 HB3 ASP 82 HB3 ASP 82 -8.129 36.418 66.491 624 H VAL 83 H VAL 83 -4.973 36.480 64.784 625 HA VAL 83 HA VAL 83 -3.948 38.037 66.738 626 HB VAL 83 HB VAL 83 -2.566 37.559 64.095 627 HG11 VAL 83 HG11 VAL 83 -1.754 38.985 66.398 628 HG12 VAL 83 HG12 VAL 83 -0.829 37.482 66.353 629 HG13 VAL 83 HG13 VAL 83 -0.801 38.579 64.970 630 HG21 VAL 83 HG21 VAL 83 -3.576 35.641 65.755 631 HG22 VAL 83 HG22 VAL 83 -2.208 35.420 64.665 632 HG23 VAL 83 HG23 VAL 83 -1.930 35.817 66.361 633 H VAL 84 H VAL 84 -5.111 39.131 63.677 634 HA VAL 84 HA VAL 84 -3.771 41.543 63.358 635 HB VAL 84 HB VAL 84 -6.668 40.973 62.716 636 HG11 VAL 84 HG11 VAL 84 -5.000 42.895 61.178 637 HG12 VAL 84 HG12 VAL 84 -6.742 42.880 61.458 638 HG13 VAL 84 HG13 VAL 84 -5.647 43.407 62.736 639 HG21 VAL 84 HG21 VAL 84 -5.917 40.306 60.537 640 HG22 VAL 84 HG22 VAL 84 -4.252 40.734 60.930 641 HG23 VAL 84 HG23 VAL 84 -5.027 39.372 61.739 642 H GLY 85 H GLY 85 -6.692 40.829 65.246 643 HA2 GLY 85 HA2 GLY 85 -6.305 43.419 66.614 644 HA3 GLY 85 HA3 GLY 85 -7.902 42.823 66.189 645 H MET 86 H MET 86 -6.111 40.188 67.018 646 HA MET 86 HA MET 86 -7.535 39.712 69.401 647 HB2 MET 86 HB2 MET 86 -6.646 37.913 67.978 648 HB3 MET 86 HB3 MET 86 -5.006 38.388 68.403 649 HG2 MET 86 HG2 MET 86 -5.061 37.142 70.224 650 HG3 MET 86 HG3 MET 86 -6.525 37.947 70.785 651 HE1 MET 86 HE1 MET 86 -5.174 35.146 68.353 652 HE2 MET 86 HE2 MET 86 -5.019 34.679 70.046 653 HE3 MET 86 HE3 MET 86 -6.129 33.806 68.990 654 HA PRO 87 HA PRO 87 -3.324 40.814 71.563 655 HB2 PRO 87 HB2 PRO 87 -1.648 42.400 70.132 656 HB3 PRO 87 HB3 PRO 87 -1.576 40.634 70.082 657 HG2 PRO 87 HG2 PRO 87 -2.847 42.532 68.148 658 HG3 PRO 87 HG3 PRO 87 -1.867 41.091 67.822 659 HD2 PRO 87 HD2 PRO 87 -4.570 41.080 67.668 660 HD3 PRO 87 HD3 PRO 87 -3.636 39.655 68.167 661 H GLN 88 H GLN 88 -2.323 43.000 72.296 662 HA GLN 88 HA GLN 88 -4.517 44.862 72.563 663 HB2 GLN 88 HB2 GLN 88 -3.148 45.962 74.225 664 HB3 GLN 88 HB3 GLN 88 -3.109 44.225 74.499 665 HG2 GLN 88 HG2 GLN 88 -0.920 44.035 73.677 666 HG3 GLN 88 HG3 GLN 88 -0.968 45.639 72.948 667 HE21 GLN 88 HE21 GLN 88 -1.597 47.363 74.716 668 HE22 GLN 88 HE22 GLN 88 -0.619 47.297 76.138 669 H TRP 89 H TRP 89 -1.375 44.736 71.005 670 HA TRP 89 HA TRP 89 -0.797 47.312 70.410 671 HD1 TRP 89 HD1 TRP 89 -0.969 43.184 68.041 672 HE1 TRP 89 HE1 TRP 89 -1.858 43.138 65.626 673 HE3 TRP 89 HE3 TRP 89 -0.627 48.168 66.955 674 HZ2 TRP 89 HZ2 TRP 89 -2.348 44.971 63.536 675 HZ3 TRP 89 HZ3 TRP 89 -1.326 48.939 64.726 676 HH2 TRP 89 HH2 TRP 89 -2.167 47.372 63.054 677 HB2 TRP 89 HB2 TRP 89 0.568 46.502 68.772 678 HB3 TRP 89 HB3 TRP 89 0.164 44.965 69.532 679 H GLN 90 H GLN 90 -3.525 45.506 69.270 680 HA GLN 90 HA GLN 90 -4.194 47.112 67.041 681 HB2 GLN 90 HB2 GLN 90 -5.161 44.926 67.241 682 HB3 GLN 90 HB3 GLN 90 -5.867 45.322 68.803 683 HG2 GLN 90 HG2 GLN 90 -6.812 47.214 66.920 684 HG3 GLN 90 HG3 GLN 90 -6.996 45.607 66.220 685 HE21 GLN 90 HE21 GLN 90 -8.634 47.843 67.803 686 HE22 GLN 90 HE22 GLN 90 -9.700 46.868 68.751 687 H GLU 91 H GLU 91 -5.631 47.025 70.308 688 HA GLU 91 HA GLU 91 -7.004 49.516 69.866 689 HB2 GLU 91 HB2 GLU 91 -7.454 47.378 71.505 690 HB3 GLU 91 HB3 GLU 91 -6.772 48.542 72.633 691 HG2 GLU 91 HG2 GLU 91 -8.491 50.087 72.252 692 HG3 GLU 91 HG3 GLU 91 -9.028 49.256 70.794 693 H TYR 92 H TYR 92 -4.287 48.424 71.871 694 HA TYR 92 HA TYR 92 -3.688 50.618 73.339 695 HD1 TYR 92 HD1 TYR 92 -3.119 49.163 75.231 696 HD2 TYR 92 HD2 TYR 92 0.430 50.303 73.182 697 HE1 TYR 92 HE1 TYR 92 -2.061 49.713 77.382 698 HE2 TYR 92 HE2 TYR 92 1.498 50.856 75.327 699 HH TYR 92 HH TYR 92 -0.301 50.768 78.351 700 HB2 TYR 92 HB2 TYR 92 -2.368 48.317 72.768 701 HB3 TYR 92 HB3 TYR 92 -1.336 49.488 71.954 702 H THR 93 H THR 93 -2.229 50.081 70.127 703 HA THR 93 HA THR 93 -1.109 52.593 69.810 704 HB THR 93 HB THR 93 -1.179 52.171 67.366 705 HG1 THR 93 HG1 THR 93 -2.979 51.079 66.894 706 HG21 THR 93 HG21 THR 93 0.437 50.547 67.437 707 HG22 THR 93 HG22 THR 93 -0.466 49.541 68.567 708 HG23 THR 93 HG23 THR 93 0.376 50.977 69.146 709 H ALA 94 H ALA 94 -4.243 51.473 68.521 710 HA ALA 94 HA ALA 94 -5.139 53.770 67.339 711 HB1 ALA 94 HB1 ALA 94 -7.446 52.854 68.446 712 HB2 ALA 94 HB2 ALA 94 -6.702 52.200 66.986 713 HB3 ALA 94 HB3 ALA 94 -6.419 51.423 68.545 714 H MET 95 H MET 95 -5.242 52.954 70.779 715 HA MET 95 HA MET 95 -6.765 55.151 71.639 716 HB2 MET 95 HB2 MET 95 -5.187 53.046 72.854 717 HB3 MET 95 HB3 MET 95 -4.983 54.566 73.714 718 HG2 MET 95 HG2 MET 95 -7.295 54.732 74.163 719 HG3 MET 95 HG3 MET 95 -7.679 53.436 73.034 720 HE1 MET 95 HE1 MET 95 -8.809 53.272 76.252 721 HE2 MET 95 HE2 MET 95 -9.189 52.511 74.706 722 HE3 MET 95 HE3 MET 95 -8.722 51.518 76.086 723 H LEU 96 H LEU 96 -3.357 54.800 70.922 724 HA LEU 96 HA LEU 96 -2.619 57.334 72.065 725 HG LEU 96 HG LEU 96 -1.629 54.023 71.147 726 HB2 LEU 96 HB2 LEU 96 -0.887 56.042 70.044 727 HB3 LEU 96 HB3 LEU 96 -0.470 56.772 71.593 728 HD11 LEU 96 HD11 LEU 96 0.725 54.181 70.583 729 HD12 LEU 96 HD12 LEU 96 0.512 53.272 72.080 730 HD13 LEU 96 HD13 LEU 96 1.066 54.945 72.135 731 HD21 LEU 96 HD21 LEU 96 -0.686 54.424 73.795 732 HD22 LEU 96 HD22 LEU 96 -2.318 54.032 73.253 733 HD23 LEU 96 HD23 LEU 96 -1.824 55.717 73.413 734 H ARG 97 H ARG 97 -2.775 56.072 68.732 735 HA ARG 97 HA ARG 97 -2.291 58.532 67.465 736 HE ARG 97 HE ARG 97 -4.532 52.993 65.055 737 HB2 ARG 97 HB2 ARG 97 -3.344 57.419 65.463 738 HB3 ARG 97 HB3 ARG 97 -2.014 56.535 66.200 739 HG2 ARG 97 HG2 ARG 97 -4.151 55.492 67.519 740 HG3 ARG 97 HG3 ARG 97 -4.835 55.812 65.925 741 HD2 ARG 97 HD2 ARG 97 -2.260 54.668 65.570 742 HD3 ARG 97 HD3 ARG 97 -3.139 53.682 66.737 743 HH11 ARG 97 HH11 ARG 97 -2.744 55.785 63.992 744 HH12 ARG 97 HH12 ARG 97 -3.287 55.669 62.351 745 HH21 ARG 97 HH21 ARG 97 -5.253 52.830 62.897 746 HH22 ARG 97 HH22 ARG 97 -4.715 53.989 61.730 747 H GLU 98 H GLU 98 -5.242 57.027 68.626 748 HA GLU 98 HA GLU 98 -6.974 58.959 67.385 749 HB2 GLU 98 HB2 GLU 98 -7.760 56.683 67.816 750 HB3 GLU 98 HB3 GLU 98 -7.522 56.913 69.542 751 HG2 GLU 98 HG2 GLU 98 -9.237 58.632 69.571 752 HG3 GLU 98 HG3 GLU 98 -9.456 58.458 67.830 753 H ARG 99 H ARG 99 -6.063 58.244 70.758 754 HA ARG 99 HA ARG 99 -7.259 60.673 71.722 755 HE ARG 99 HE ARG 99 -8.005 61.011 76.356 756 HB2 ARG 99 HB2 ARG 99 -6.986 58.445 72.986 757 HB3 ARG 99 HB3 ARG 99 -5.327 58.957 73.261 758 HG2 ARG 99 HG2 ARG 99 -6.162 59.866 75.126 759 HG3 ARG 99 HG3 ARG 99 -6.680 61.166 74.050 760 HD2 ARG 99 HD2 ARG 99 -8.853 60.053 73.779 761 HD3 ARG 99 HD3 ARG 99 -8.331 58.781 74.881 762 HH11 ARG 99 HH11 ARG 99 -10.668 59.786 74.478 763 HH12 ARG 99 HH12 ARG 99 -11.879 60.514 75.480 764 HH21 ARG 99 HH21 ARG 99 -9.591 61.974 77.684 765 HH22 ARG 99 HH22 ARG 99 -11.266 61.758 77.303 766 H PHE 100 H PHE 100 -3.901 59.459 71.722 767 HA PHE 100 HA PHE 100 -1.907 60.562 71.867 768 HD1 PHE 100 HD1 PHE 100 -4.875 61.241 68.994 769 HD2 PHE 100 HD2 PHE 100 -2.536 64.464 70.494 770 HE1 PHE 100 HE1 PHE 100 -6.622 62.827 68.299 771 HE2 PHE 100 HE2 PHE 100 -4.280 66.056 69.802 772 HZ PHE 100 HZ PHE 100 -6.326 65.239 68.704 773 HB2 PHE 100 HB2 PHE 100 -1.572 62.287 70.171 774 HB3 PHE 100 HB3 PHE 100 -2.517 60.957 69.510 775 H ALA 101 H ALA 101 -3.863 61.263 73.887 776 HA ALA 101 HA ALA 101 -3.525 64.114 74.335 777 HB1 ALA 101 HB1 ALA 101 -4.664 62.993 76.616 778 HB2 ALA 101 HB2 ALA 101 -5.503 63.815 75.300 779 HB3 ALA 101 HB3 ALA 101 -5.322 62.061 75.271 780 H GLY 102 H GLY 102 -2.363 61.053 75.643 781 HA2 GLY 102 HA2 GLY 102 -0.849 62.389 77.733 782 HA3 GLY 102 HA3 GLY 102 -0.916 60.658 77.435 783 H LEU 103 H LEU 103 0.063 60.105 75.147 784 HA LEU 103 HA LEU 103 2.748 60.246 75.220 785 HG LEU 103 HG LEU 103 -0.046 60.871 72.951 786 HB2 LEU 103 HB2 LEU 103 2.765 59.956 72.764 787 HB3 LEU 103 HB3 LEU 103 1.635 58.888 73.596 788 HD11 LEU 103 HD11 LEU 103 0.994 62.357 71.641 789 HD12 LEU 103 HD12 LEU 103 0.815 61.137 70.380 790 HD13 LEU 103 HD13 LEU 103 2.326 61.259 71.282 791 HD21 LEU 103 HD21 LEU 103 -0.483 59.505 70.828 792 HD22 LEU 103 HD22 LEU 103 -0.588 58.673 72.378 793 HD23 LEU 103 HD23 LEU 103 0.847 58.482 71.370 794 H ASP 104 H ASP 104 0.609 62.801 74.216 795 HA ASP 104 HA ASP 104 2.212 64.472 72.759 796 HB2 ASP 104 HB2 ASP 104 -0.157 64.753 74.379 797 HB3 ASP 104 HB3 ASP 104 0.879 66.163 74.577 798 H THR 105 H THR 105 2.096 64.195 76.296 799 HA THR 105 HA THR 105 3.668 66.159 77.202 800 HB THR 105 HB THR 105 2.847 64.410 78.682 801 HG1 THR 105 HG1 THR 105 4.600 64.437 80.041 802 HG21 THR 105 HG21 THR 105 3.087 62.312 77.894 803 HG22 THR 105 HG22 THR 105 4.654 62.375 78.701 804 HG23 THR 105 HG23 THR 105 4.536 62.716 76.975 805 H ILE 106 H ILE 106 4.737 63.517 75.193 806 HA ILE 106 HA ILE 106 7.424 63.409 75.502 807 HB ILE 106 HB ILE 106 5.897 62.312 73.698 808 HG12 ILE 106 HG12 ILE 106 7.912 61.824 72.307 809 HG13 ILE 106 HG13 ILE 106 8.771 63.098 73.167 810 HG21 ILE 106 HG21 ILE 106 5.470 63.399 71.788 811 HG22 ILE 106 HG22 ILE 106 5.853 64.856 72.705 812 HG23 ILE 106 HG23 ILE 106 7.091 64.091 71.709 813 HD11 ILE 106 HD11 ILE 106 9.355 61.641 74.715 814 HD12 ILE 106 HD12 ILE 106 7.657 61.361 75.099 815 HD13 ILE 106 HD13 ILE 106 8.458 60.375 73.877 Start of MODEL 8 1 H LYS 1 H LYS 1 40.422 62.037 65.925 2 HA LYS 1 HA LYS 1 42.629 61.362 67.666 3 HB2 LYS 1 HB2 LYS 1 42.258 63.310 65.794 4 HB3 LYS 1 HB3 LYS 1 41.961 64.206 67.278 5 HG2 LYS 1 HG2 LYS 1 44.198 64.518 67.121 6 HG3 LYS 1 HG3 LYS 1 44.204 62.993 68.010 7 HD2 LYS 1 HD2 LYS 1 44.643 61.746 66.036 8 HD3 LYS 1 HD3 LYS 1 44.323 63.142 65.004 9 HE2 LYS 1 HE2 LYS 1 46.587 63.253 65.004 10 HE3 LYS 1 HE3 LYS 1 46.292 64.163 66.486 11 HZ1 LYS 1 HZ1 LYS 1 47.317 62.617 67.679 12 HZ2 LYS 1 HZ2 LYS 1 47.834 61.912 66.231 13 HZ3 LYS 1 HZ3 LYS 1 46.423 61.362 66.984 14 H GLN 2 H GLN 2 39.620 63.230 67.900 15 HA GLN 2 HA GLN 2 39.878 63.100 70.833 16 HB2 GLN 2 HB2 GLN 2 39.190 65.347 69.040 17 HB3 GLN 2 HB3 GLN 2 38.196 65.192 70.482 18 HG2 GLN 2 HG2 GLN 2 39.846 66.567 71.249 19 HG3 GLN 2 HG3 GLN 2 40.503 64.992 71.690 20 HE21 GLN 2 HE21 GLN 2 40.431 67.055 68.798 21 HE22 GLN 2 HE22 GLN 2 42.119 66.922 68.455 22 H GLN 3 H GLN 3 38.473 61.689 71.624 23 HA GLN 3 HA GLN 3 36.140 60.870 70.182 24 HB2 GLN 3 HB2 GLN 3 37.083 60.242 72.982 25 HB3 GLN 3 HB3 GLN 3 35.688 59.495 72.219 26 HG2 GLN 3 HG2 GLN 3 36.942 58.126 70.962 27 HG3 GLN 3 HG3 GLN 3 38.171 59.353 70.665 28 HE21 GLN 3 HE21 GLN 3 39.644 57.549 70.989 29 HE22 GLN 3 HE22 GLN 3 40.115 57.129 72.597 30 H LEU 4 H LEU 4 36.595 62.463 73.341 31 HA LEU 4 HA LEU 4 34.054 62.947 74.109 32 HG LEU 4 HG LEU 4 36.635 62.736 75.525 33 HB2 LEU 4 HB2 LEU 4 36.387 64.850 74.191 34 HB3 LEU 4 HB3 LEU 4 34.870 65.131 75.043 35 HD11 LEU 4 HD11 LEU 4 37.846 64.786 76.075 36 HD12 LEU 4 HD12 LEU 4 37.411 63.886 77.527 37 HD13 LEU 4 HD13 LEU 4 36.493 65.321 77.072 38 HD21 LEU 4 HD21 LEU 4 34.625 63.874 77.420 39 HD22 LEU 4 HD22 LEU 4 35.255 62.231 77.304 40 HD23 LEU 4 HD23 LEU 4 34.101 62.818 76.107 41 H GLN 5 H GLN 5 35.838 64.808 71.678 42 HA GLN 5 HA GLN 5 33.882 66.760 71.200 43 HB2 GLN 5 HB2 GLN 5 36.337 65.837 69.922 44 HB3 GLN 5 HB3 GLN 5 35.144 66.406 68.762 45 HG2 GLN 5 HG2 GLN 5 35.759 68.069 71.155 46 HG3 GLN 5 HG3 GLN 5 36.884 68.046 69.799 47 HE21 GLN 5 HE21 GLN 5 33.679 68.899 70.855 48 HE22 GLN 5 HE22 GLN 5 33.299 69.934 69.526 49 H GLU 6 H GLU 6 31.826 66.196 70.807 50 HA GLU 6 HA GLU 6 31.274 64.032 68.913 51 HB2 GLU 6 HB2 GLU 6 29.869 65.205 71.205 52 HB3 GLU 6 HB3 GLU 6 28.830 64.893 69.821 53 HG2 GLU 6 HG2 GLU 6 28.917 62.677 70.092 54 HG3 GLU 6 HG3 GLU 6 30.636 62.690 70.482 55 H HIS 7 H HIS 7 30.860 64.500 66.866 56 HA HIS 7 HA HIS 7 30.461 67.196 65.990 57 HD1 HIS 7 HD1 HIS 7 33.001 66.360 65.920 58 HD2 HIS 7 HD2 HIS 7 31.706 66.669 61.983 59 HE1 HIS 7 HE1 HIS 7 34.876 67.489 64.681 60 HB2 HIS 7 HB2 HIS 7 30.880 64.561 64.726 61 HB3 HIS 7 HB3 HIS 7 29.926 65.702 63.782 62 H ALA 8 H ALA 8 28.457 64.253 65.793 63 HA ALA 8 HA ALA 8 26.086 66.001 65.669 64 HB1 ALA 8 HB1 ALA 8 25.256 63.624 64.578 65 HB2 ALA 8 HB2 ALA 8 25.722 65.065 63.675 66 HB3 ALA 8 HB3 ALA 8 26.902 63.784 63.962 67 HA PRO 9 HA PRO 9 24.688 64.017 69.342 68 HB2 PRO 9 HB2 PRO 9 22.021 64.458 69.091 69 HB3 PRO 9 HB3 PRO 9 23.170 65.733 69.513 70 HG2 PRO 9 HG2 PRO 9 21.945 65.090 66.858 71 HG3 PRO 9 HG3 PRO 9 22.202 66.671 67.619 72 HD2 PRO 9 HD2 PRO 9 23.843 65.695 65.699 73 HD3 PRO 9 HD3 PRO 9 24.423 66.746 67.008 74 H SER 10 H SER 10 22.770 62.495 70.003 75 HA SER 10 HA SER 10 22.957 60.180 68.258 76 HG SER 10 HG SER 10 23.696 58.784 69.493 77 HB2 SER 10 HB2 SER 10 22.833 60.549 71.043 78 HB3 SER 10 HB3 SER 10 21.322 59.754 70.602 79 H HIS 11 H HIS 11 21.367 59.410 67.012 80 HA HIS 11 HA HIS 11 19.142 60.914 66.321 81 HD1 HIS 11 HD1 HIS 11 17.385 60.167 64.024 82 HD2 HIS 11 HD2 HIS 11 21.400 59.216 63.524 83 HE1 HIS 11 HE1 HIS 11 17.995 61.004 61.733 84 HB2 HIS 11 HB2 HIS 11 20.149 58.233 65.744 85 HB3 HIS 11 HB3 HIS 11 18.391 58.324 65.706 86 H ALA 12 H ALA 12 19.079 57.850 68.152 87 HA ALA 12 HA ALA 12 17.708 57.098 69.808 88 HB1 ALA 12 HB1 ALA 12 16.558 59.796 70.297 89 HB2 ALA 12 HB2 ALA 12 17.069 58.558 71.445 90 HB3 ALA 12 HB3 ALA 12 18.274 59.544 70.616 91 H ASN 13 H ASN 13 16.796 56.975 67.167 92 HA ASN 13 HA ASN 13 13.963 57.694 67.291 93 HB2 ASN 13 HB2 ASN 13 15.907 57.205 65.134 94 HB3 ASN 13 HB3 ASN 13 14.305 56.532 64.841 95 HD21 ASN 13 HD21 ASN 13 14.679 58.228 63.072 96 HD22 ASN 13 HD22 ASN 13 14.041 59.800 63.402 97 H LEU 14 H LEU 14 16.008 54.865 66.597 98 HA LEU 14 HA LEU 14 13.714 53.144 67.259 99 HG LEU 14 HG LEU 14 13.124 52.847 65.124 100 HB2 LEU 14 HB2 LEU 14 15.981 52.874 65.356 101 HB3 LEU 14 HB3 LEU 14 15.345 51.410 66.102 102 HD11 LEU 14 HD11 LEU 14 14.117 52.544 62.616 103 HD12 LEU 14 HD12 LEU 14 15.523 53.179 63.470 104 HD13 LEU 14 HD13 LEU 14 14.008 54.081 63.474 105 HD21 LEU 14 HD21 LEU 14 13.136 50.871 63.483 106 HD22 LEU 14 HD22 LEU 14 13.028 50.518 65.208 107 HD23 LEU 14 HD23 LEU 14 14.565 50.328 64.364 108 H ASP 15 H ASP 15 15.981 54.458 68.918 109 HA ASP 15 HA ASP 15 17.821 52.830 69.972 110 HB2 ASP 15 HB2 ASP 15 16.718 55.139 70.819 111 HB3 ASP 15 HB3 ASP 15 16.072 54.043 72.036 112 H VAL 16 H VAL 16 14.381 52.689 70.875 113 HA VAL 16 HA VAL 16 14.486 50.625 72.709 114 HB VAL 16 HB VAL 16 12.134 50.115 72.050 115 HG11 VAL 16 HG11 VAL 16 12.597 51.841 73.688 116 HG12 VAL 16 HG12 VAL 16 12.823 53.030 72.405 117 HG13 VAL 16 HG13 VAL 16 11.233 52.318 72.677 118 HG21 VAL 16 HG21 VAL 16 12.355 50.532 69.649 119 HG22 VAL 16 HG22 VAL 16 11.054 51.496 70.351 120 HG23 VAL 16 HG23 VAL 16 12.603 52.249 69.968 121 H LYS 17 H LYS 17 13.271 48.428 72.186 122 HA LYS 17 HA LYS 17 14.783 47.175 69.994 123 HB2 LYS 17 HB2 LYS 17 13.691 45.972 72.544 124 HB3 LYS 17 HB3 LYS 17 14.488 45.057 71.271 125 HG2 LYS 17 HG2 LYS 17 16.544 45.742 71.880 126 HG3 LYS 17 HG3 LYS 17 15.993 47.360 72.319 127 HD2 LYS 17 HD2 LYS 17 15.112 46.544 74.410 128 HD3 LYS 17 HD3 LYS 17 15.487 44.879 73.958 129 HE2 LYS 17 HE2 LYS 17 17.726 46.813 73.915 130 HE3 LYS 17 HE3 LYS 17 17.086 46.376 75.499 131 HZ1 LYS 17 HZ1 LYS 17 18.935 44.946 74.728 132 HZ2 LYS 17 HZ2 LYS 17 17.955 44.402 73.461 133 HZ3 LYS 17 HZ3 LYS 17 17.517 44.085 75.064 134 H TRP 18 H TRP 18 13.614 44.976 69.370 135 HA TRP 18 HA TRP 18 11.377 45.623 67.873 136 HD1 TRP 18 HD1 TRP 18 13.628 45.427 66.694 137 HE1 TRP 18 HE1 TRP 18 15.928 44.475 66.041 138 HE3 TRP 18 HE3 TRP 18 13.134 40.716 68.618 139 HZ2 TRP 18 HZ2 TRP 18 17.346 42.049 66.306 140 HZ3 TRP 18 HZ3 TRP 18 15.009 39.141 68.376 141 HH2 TRP 18 HH2 TRP 18 17.070 39.795 67.242 142 HB2 TRP 18 HB2 TRP 18 11.824 42.827 68.885 143 HB3 TRP 18 HB3 TRP 18 11.226 43.349 67.314 144 H LEU 19 H LEU 19 9.261 44.186 68.122 145 HA LEU 19 HA LEU 19 7.855 45.249 70.324 146 HG LEU 19 HG LEU 19 4.830 44.392 68.492 147 HB2 LEU 19 HB2 LEU 19 7.218 43.997 67.921 148 HB3 LEU 19 HB3 LEU 19 6.581 42.924 69.166 149 HD11 LEU 19 HD11 LEU 19 4.168 45.275 70.560 150 HD12 LEU 19 HD12 LEU 19 5.831 45.576 71.063 151 HD13 LEU 19 HD13 LEU 19 5.226 43.923 70.965 152 HD21 LEU 19 HD21 LEU 19 6.449 46.795 69.257 153 HD22 LEU 19 HD22 LEU 19 4.980 46.705 68.284 154 HD23 LEU 19 HD23 LEU 19 6.512 46.135 67.622 155 H ASP 20 H ASP 20 9.629 42.317 69.876 156 HA ASP 20 HA ASP 20 8.563 40.506 71.582 157 HB2 ASP 20 HB2 ASP 20 11.073 40.902 70.419 158 HB3 ASP 20 HB3 ASP 20 11.398 40.747 72.143 159 H GLY 21 H GLY 21 10.292 43.441 72.480 160 HA2 GLY 21 HA2 GLY 21 9.141 44.208 74.714 161 HA3 GLY 21 HA3 GLY 21 9.992 42.795 75.321 162 H LEU 22 H LEU 22 10.786 44.760 76.669 163 HA LEU 22 HA LEU 22 13.375 45.528 75.540 164 HG LEU 22 HG LEU 22 13.369 47.495 74.365 165 HB2 LEU 22 HB2 LEU 22 11.209 47.342 76.431 166 HB3 LEU 22 HB3 LEU 22 12.854 47.769 76.900 167 HD11 LEU 22 HD11 LEU 22 10.518 47.103 74.437 168 HD12 LEU 22 HD12 LEU 22 11.644 46.930 73.091 169 HD13 LEU 22 HD13 LEU 22 10.936 48.504 73.451 170 HD21 LEU 22 HD21 LEU 22 12.255 49.898 74.092 171 HD22 LEU 22 HD22 LEU 22 13.695 49.628 75.075 172 HD23 LEU 22 HD23 LEU 22 12.111 49.735 75.843 173 H ARG 23 H ARG 23 15.028 45.736 77.032 174 HA ARG 23 HA ARG 23 14.434 44.627 79.674 175 HE ARG 23 HE ARG 23 17.445 40.907 80.368 176 HB2 ARG 23 HB2 ARG 23 16.412 44.038 77.859 177 HB3 ARG 23 HB3 ARG 23 17.248 45.092 78.991 178 HG2 ARG 23 HG2 ARG 23 16.166 43.538 80.789 179 HG3 ARG 23 HG3 ARG 23 16.038 42.408 79.440 180 HD2 ARG 23 HD2 ARG 23 18.537 42.991 79.052 181 HD3 ARG 23 HD3 ARG 23 18.483 43.566 80.718 182 HH11 ARG 23 HH11 ARG 23 20.298 42.825 80.914 183 HH12 ARG 23 HH12 ARG 23 21.184 41.533 81.653 184 HH21 ARG 23 HH21 ARG 23 18.602 39.197 81.339 185 HH22 ARG 23 HH22 ARG 23 20.219 39.469 81.894 186 H ALA 24 H ALA 24 16.080 47.368 78.149 187 HA ALA 24 HA ALA 24 16.505 48.628 80.742 188 HB1 ALA 24 HB1 ALA 24 17.221 50.336 78.571 189 HB2 ALA 24 HB2 ALA 24 18.264 49.543 79.752 190 HB3 ALA 24 HB3 ALA 24 17.834 48.713 78.255 191 H GLY 25 H GLY 25 15.785 50.804 81.175 192 HA2 GLY 25 HA2 GLY 25 13.956 52.191 81.492 193 HA3 GLY 25 HA3 GLY 25 14.187 52.462 79.772 194 H SER 26 H SER 26 11.908 52.846 79.631 195 HA SER 26 HA SER 26 9.756 52.268 79.170 196 HG SER 26 HG SER 26 11.264 51.836 77.291 197 HB2 SER 26 HB2 SER 26 11.124 49.645 78.543 198 HB3 SER 26 HB3 SER 26 9.422 49.960 78.202 199 H MET 27 H MET 27 10.427 52.235 81.866 200 HA MET 27 HA MET 27 9.432 49.825 83.089 201 HB2 MET 27 HB2 MET 27 9.703 51.046 85.203 202 HB3 MET 27 HB3 MET 27 11.153 51.139 84.213 203 HG2 MET 27 HG2 MET 27 9.187 53.329 83.928 204 HG3 MET 27 HG3 MET 27 10.097 53.249 85.435 205 HE1 MET 27 HE1 MET 27 10.451 55.611 82.545 206 HE2 MET 27 HE2 MET 27 11.348 54.636 81.379 207 HE3 MET 27 HE3 MET 27 9.783 54.082 81.972 208 H ALA 28 H ALA 28 8.195 53.014 82.302 209 HA ALA 28 HA ALA 28 5.636 52.396 83.580 210 HB1 ALA 28 HB1 ALA 28 5.259 54.861 82.580 211 HB2 ALA 28 HB2 ALA 28 5.991 54.550 84.155 212 HB3 ALA 28 HB3 ALA 28 7.014 54.869 82.753 213 H LEU 29 H LEU 29 6.571 53.929 80.496 214 HA LEU 29 HA LEU 29 4.234 52.682 79.243 215 HG LEU 29 HG LEU 29 3.650 55.928 77.712 216 HB2 LEU 29 HB2 LEU 29 5.590 55.201 78.964 217 HB3 LEU 29 HB3 LEU 29 5.515 54.375 77.409 218 HD11 LEU 29 HD11 LEU 29 1.862 54.412 77.114 219 HD12 LEU 29 HD12 LEU 29 2.763 53.047 77.774 220 HD13 LEU 29 HD13 LEU 29 3.369 53.898 76.353 221 HD21 LEU 29 HD21 LEU 29 2.236 54.300 79.679 222 HD22 LEU 29 HD22 LEU 29 2.394 56.052 79.557 223 HD23 LEU 29 HD23 LEU 29 3.667 55.104 80.326 224 H GLN 30 H GLN 30 4.708 52.304 76.745 225 HA GLN 30 HA GLN 30 7.001 50.468 76.663 226 HB2 GLN 30 HB2 GLN 30 4.331 50.497 75.308 227 HB3 GLN 30 HB3 GLN 30 5.674 49.646 74.556 228 HG2 GLN 30 HG2 GLN 30 4.393 49.106 77.214 229 HG3 GLN 30 HG3 GLN 30 4.478 48.050 75.807 230 HE21 GLN 30 HE21 GLN 30 5.289 47.436 78.479 231 HE22 GLN 30 HE22 GLN 30 6.980 47.089 78.433 232 H GLY 31 H GLY 31 8.720 51.539 75.870 233 HA2 GLY 31 HA2 GLY 31 8.734 53.717 74.160 234 HA3 GLY 31 HA3 GLY 31 10.063 52.578 74.324 235 H ASP 32 H ASP 32 8.533 50.300 73.371 236 HA ASP 32 HA ASP 32 9.166 50.354 70.677 237 HB2 ASP 32 HB2 ASP 32 7.380 48.442 70.568 238 HB3 ASP 32 HB3 ASP 32 8.851 48.214 71.509 239 H VAL 33 H VAL 33 6.058 51.025 72.241 240 HA VAL 33 HA VAL 33 4.776 51.609 69.714 241 HB VAL 33 HB VAL 33 3.741 52.016 72.523 242 HG11 VAL 33 HG11 VAL 33 2.551 52.357 69.815 243 HG12 VAL 33 HG12 VAL 33 1.526 51.769 71.126 244 HG13 VAL 33 HG13 VAL 33 2.339 53.328 71.271 245 HG21 VAL 33 HG21 VAL 33 3.949 49.736 72.447 246 HG22 VAL 33 HG22 VAL 33 2.357 49.926 71.712 247 HG23 VAL 33 HG23 VAL 33 3.773 49.668 70.693 248 H LYS 34 H LYS 34 5.933 53.404 72.534 249 HA LYS 34 HA LYS 34 5.001 55.915 72.113 250 HB2 LYS 34 HB2 LYS 34 6.397 55.586 73.983 251 HB3 LYS 34 HB3 LYS 34 7.721 54.980 72.996 252 HG2 LYS 34 HG2 LYS 34 8.135 57.184 72.114 253 HG3 LYS 34 HG3 LYS 34 6.728 57.823 72.967 254 HD2 LYS 34 HD2 LYS 34 7.863 58.033 74.883 255 HD3 LYS 34 HD3 LYS 34 8.580 56.428 74.730 256 HE2 LYS 34 HE2 LYS 34 9.540 58.728 73.063 257 HE3 LYS 34 HE3 LYS 34 10.135 58.482 74.704 258 HZ1 LYS 34 HZ1 LYS 34 10.828 57.102 72.309 259 HZ2 LYS 34 HZ2 LYS 34 10.331 56.024 73.515 260 HZ3 LYS 34 HZ3 LYS 34 11.603 57.098 73.811 261 H VAL 35 H VAL 35 7.476 54.268 70.251 262 HA VAL 35 HA VAL 35 8.008 56.645 68.653 263 HB VAL 35 HB VAL 35 9.689 55.307 67.512 264 HG11 VAL 35 HG11 VAL 35 11.111 54.728 69.506 265 HG12 VAL 35 HG12 VAL 35 10.449 56.363 69.501 266 HG13 VAL 35 HG13 VAL 35 9.721 55.119 70.517 267 HG21 VAL 35 HG21 VAL 35 10.048 52.954 68.692 268 HG22 VAL 35 HG22 VAL 35 8.303 53.084 68.902 269 HG23 VAL 35 HG23 VAL 35 9.003 53.147 67.285 270 H TRP 36 H TRP 36 6.091 53.788 68.558 271 HA TRP 36 HA TRP 36 5.767 53.152 65.944 272 HD1 TRP 36 HD1 TRP 36 3.362 50.487 65.862 273 HE1 TRP 36 HE1 TRP 36 1.319 50.711 64.311 274 HE3 TRP 36 HE3 TRP 36 2.287 55.423 66.646 275 HZ2 TRP 36 HZ2 TRP 36 -0.506 52.716 63.525 276 HZ3 TRP 36 HZ3 TRP 36 0.377 56.417 65.456 277 HH2 TRP 36 HH2 TRP 36 -0.989 55.091 63.928 278 HB2 TRP 36 HB2 TRP 36 4.498 51.994 67.613 279 HB3 TRP 36 HB3 TRP 36 3.639 53.463 68.064 280 H MET 37 H MET 37 4.819 56.120 67.483 281 HA MET 37 HA MET 37 3.190 56.991 65.254 282 HB2 MET 37 HB2 MET 37 3.072 59.135 66.547 283 HB3 MET 37 HB3 MET 37 2.488 57.724 67.420 284 HG2 MET 37 HG2 MET 37 5.100 57.772 68.161 285 HG3 MET 37 HG3 MET 37 4.750 59.490 67.983 286 HE1 MET 37 HE1 MET 37 3.393 56.266 70.533 287 HE2 MET 37 HE2 MET 37 1.802 56.876 70.077 288 HE3 MET 37 HE3 MET 37 2.951 56.392 68.830 289 H GLN 38 H GLN 38 6.243 58.046 66.762 290 HA GLN 38 HA GLN 38 6.895 60.004 64.880 291 HB2 GLN 38 HB2 GLN 38 9.042 60.039 65.838 292 HB3 GLN 38 HB3 GLN 38 7.979 59.545 67.148 293 HG2 GLN 38 HG2 GLN 38 9.320 57.821 67.483 294 HG3 GLN 38 HG3 GLN 38 8.772 57.169 65.940 295 HE21 GLN 38 HE21 GLN 38 11.001 56.220 66.169 296 HE22 GLN 38 HE22 GLN 38 12.305 57.117 65.478 297 H ASN 39 H ASN 39 7.177 56.547 64.763 298 HA ASN 39 HA ASN 39 9.106 56.331 62.717 299 HB2 ASN 39 HB2 ASN 39 7.283 54.564 64.128 300 HB3 ASN 39 HB3 ASN 39 7.395 54.143 62.421 301 HD21 ASN 39 HD21 ASN 39 8.288 52.468 64.427 302 HD22 ASN 39 HD22 ASN 39 10.008 52.340 64.333 303 H LEU 40 H LEU 40 5.569 56.516 62.632 304 HA LEU 40 HA LEU 40 5.498 56.382 59.750 305 HG LEU 40 HG LEU 40 3.772 56.093 62.987 306 HB2 LEU 40 HB2 LEU 40 3.083 57.356 61.033 307 HB3 LEU 40 HB3 LEU 40 3.329 55.943 60.007 308 HD11 LEU 40 HD11 LEU 40 1.658 55.465 63.199 309 HD12 LEU 40 HD12 LEU 40 1.930 54.092 62.127 310 HD13 LEU 40 HD13 LEU 40 1.445 55.650 61.459 311 HD21 LEU 40 HD21 LEU 40 4.393 53.994 60.950 312 HD22 LEU 40 HD22 LEU 40 3.964 53.536 62.597 313 HD23 LEU 40 HD23 LEU 40 5.368 54.563 62.305 314 H GLU 41 H GLU 41 5.166 58.849 62.248 315 HA GLU 41 HA GLU 41 4.218 60.996 60.861 316 HB2 GLU 41 HB2 GLU 41 5.297 60.670 63.321 317 HB3 GLU 41 HB3 GLU 41 6.579 61.586 62.542 318 HG2 GLU 41 HG2 GLU 41 4.934 63.313 61.927 319 HG3 GLU 41 HG3 GLU 41 3.696 62.410 62.799 320 H ASP 42 H ASP 42 7.431 59.598 60.683 321 HA ASP 42 HA ASP 42 8.447 61.711 58.991 322 HB2 ASP 42 HB2 ASP 42 9.613 59.798 60.638 323 HB3 ASP 42 HB3 ASP 42 10.014 59.257 59.011 324 H LEU 43 H LEU 43 7.917 58.207 58.564 325 HA LEU 43 HA LEU 43 8.330 58.199 55.785 326 HG LEU 43 HG LEU 43 7.884 55.906 54.736 327 HB2 LEU 43 HB2 LEU 43 7.899 56.306 57.719 328 HB3 LEU 43 HB3 LEU 43 6.419 56.216 56.767 329 HD11 LEU 43 HD11 LEU 43 10.131 54.788 56.002 330 HD12 LEU 43 HD12 LEU 43 9.915 56.397 56.689 331 HD13 LEU 43 HD13 LEU 43 10.070 56.198 54.944 332 HD21 LEU 43 HD21 LEU 43 7.464 53.992 56.948 333 HD22 LEU 43 HD22 LEU 43 8.605 53.509 55.692 334 HD23 LEU 43 HD23 LEU 43 6.943 53.917 55.263 335 H HIS 44 H HIS 44 5.249 57.991 57.577 336 HA HIS 44 HA HIS 44 3.441 58.065 55.567 337 HD1 HIS 44 HD1 HIS 44 1.364 60.473 55.636 338 HD2 HIS 44 HD2 HIS 44 0.494 57.342 58.225 339 HE1 HIS 44 HE1 HIS 44 -1.096 60.031 55.354 340 HB2 HIS 44 HB2 HIS 44 3.065 58.134 58.121 341 HB3 HIS 44 HB3 HIS 44 3.081 59.886 57.937 342 H THR 45 H THR 45 5.257 60.827 56.813 343 HA THR 45 HA THR 45 4.009 62.915 55.526 344 HB THR 45 HB THR 45 6.962 62.529 56.039 345 HG1 THR 45 HG1 THR 45 4.899 63.030 57.635 346 HG21 THR 45 HG21 THR 45 5.502 64.685 54.688 347 HG22 THR 45 HG22 THR 45 7.220 64.293 54.664 348 HG23 THR 45 HG23 THR 45 6.548 65.226 56.002 349 H ARG 46 H ARG 46 6.442 60.692 54.231 350 HA ARG 46 HA ARG 46 6.167 61.936 51.591 351 HE ARG 46 HE ARG 46 11.704 62.230 52.335 352 HB2 ARG 46 HB2 ARG 46 8.263 60.349 52.949 353 HB3 ARG 46 HB3 ARG 46 8.056 60.034 51.231 354 HG2 ARG 46 HG2 ARG 46 9.316 61.799 50.804 355 HG3 ARG 46 HG3 ARG 46 8.062 62.822 51.507 356 HD2 ARG 46 HD2 ARG 46 9.198 63.117 53.436 357 HD3 ARG 46 HD3 ARG 46 9.836 61.474 53.431 358 HH11 ARG 46 HH11 ARG 46 9.237 64.685 52.258 359 HH12 ARG 46 HH12 ARG 46 10.290 65.907 51.624 360 HH21 ARG 46 HH21 ARG 46 13.099 63.830 51.499 361 HH22 ARG 46 HH22 ARG 46 12.486 65.418 51.191 362 H ARG 47 H ARG 47 6.271 58.660 53.002 363 HA ARG 47 HA ARG 47 4.435 57.795 50.866 364 HE ARG 47 HE ARG 47 6.279 54.357 47.993 365 HB2 ARG 47 HB2 ARG 47 6.953 56.866 51.193 366 HB3 ARG 47 HB3 ARG 47 6.079 55.749 52.232 367 HG2 ARG 47 HG2 ARG 47 6.007 54.617 50.254 368 HG3 ARG 47 HG3 ARG 47 4.504 55.537 50.143 369 HD2 ARG 47 HD2 ARG 47 5.410 57.061 48.627 370 HD3 ARG 47 HD3 ARG 47 7.068 56.634 49.048 371 HH11 ARG 47 HH11 ARG 47 5.649 57.601 46.901 372 HH12 ARG 47 HH12 ARG 47 5.543 57.158 45.230 373 HH21 ARG 47 HH21 ARG 47 6.143 53.760 45.796 374 HH22 ARG 47 HH22 ARG 47 5.823 54.972 44.602 375 HA PRO 48 HA PRO 48 1.844 57.203 54.500 376 HB2 PRO 48 HB2 PRO 48 -0.438 56.808 53.083 377 HB3 PRO 48 HB3 PRO 48 0.230 58.413 53.400 378 HG2 PRO 48 HG2 PRO 48 0.451 56.721 50.940 379 HG3 PRO 48 HG3 PRO 48 0.142 58.462 51.077 380 HD2 PRO 48 HD2 PRO 48 2.585 57.459 50.477 381 HD3 PRO 48 HD3 PRO 48 2.369 58.960 51.400 382 H ASP 49 H ASP 49 1.274 55.221 51.582 383 HA ASP 49 HA ASP 49 0.276 52.973 52.887 384 HB2 ASP 49 HB2 ASP 49 0.364 53.539 50.358 385 HB3 ASP 49 HB3 ASP 49 1.937 52.747 50.392 386 H GLU 50 H GLU 50 3.487 54.165 52.700 387 HA GLU 50 HA GLU 50 4.677 51.604 53.417 388 HB2 GLU 50 HB2 GLU 50 5.656 53.517 51.859 389 HB3 GLU 50 HB3 GLU 50 6.247 54.140 53.393 390 HG2 GLU 50 HG2 GLU 50 7.921 52.700 53.386 391 HG3 GLU 50 HG3 GLU 50 6.805 51.344 53.232 392 H PHE 51 H PHE 51 3.512 54.467 54.906 393 HA PHE 51 HA PHE 51 4.990 54.823 57.158 394 HD1 PHE 51 HD1 PHE 51 2.880 54.037 59.658 395 HD2 PHE 51 HD2 PHE 51 0.351 55.003 56.373 396 HE1 PHE 51 HE1 PHE 51 0.993 52.938 60.792 397 HE2 PHE 51 HE2 PHE 51 -1.539 53.907 57.503 398 HZ PHE 51 HZ PHE 51 -1.221 52.874 59.715 399 HB2 PHE 51 HB2 PHE 51 3.247 56.061 57.886 400 HB3 PHE 51 HB3 PHE 51 2.533 55.683 56.323 401 H THR 52 H THR 52 2.607 52.274 56.596 402 HA THR 52 HA THR 52 2.803 51.160 59.215 403 HB THR 52 HB THR 52 1.431 49.387 58.442 404 HG1 THR 52 HG1 THR 52 1.267 49.819 55.806 405 HG21 THR 52 HG21 THR 52 -0.187 50.731 56.822 406 HG22 THR 52 HG22 THR 52 0.838 52.077 57.320 407 HG23 THR 52 HG23 THR 52 -0.038 51.140 58.531 408 H ALA 53 H ALA 53 4.563 50.762 56.245 409 HA ALA 53 HA ALA 53 5.734 48.250 56.742 410 HB1 ALA 53 HB1 ALA 53 7.224 50.363 55.258 411 HB2 ALA 53 HB2 ALA 53 7.051 48.644 54.902 412 HB3 ALA 53 HB3 ALA 53 5.709 49.747 54.599 413 H ARG 54 H ARG 54 6.264 51.318 58.158 414 HA ARG 54 HA ARG 54 8.982 50.958 58.930 415 HE ARG 54 HE ARG 54 11.640 52.966 60.402 416 HB2 ARG 54 HB2 ARG 54 7.554 53.134 58.814 417 HB3 ARG 54 HB3 ARG 54 7.055 52.690 60.441 418 HG2 ARG 54 HG2 ARG 54 8.831 54.117 60.814 419 HG3 ARG 54 HG3 ARG 54 9.582 52.523 60.928 420 HD2 ARG 54 HD2 ARG 54 9.896 52.966 58.307 421 HD3 ARG 54 HD3 ARG 54 9.892 54.634 58.878 422 HH11 ARG 54 HH11 ARG 54 11.348 54.791 57.452 423 HH12 ARG 54 HH12 ARG 54 13.054 55.045 57.287 424 HH21 ARG 54 HH21 ARG 54 13.888 53.294 60.197 425 HH22 ARG 54 HH22 ARG 54 14.498 54.191 58.848 426 H LEU 55 H LEU 55 6.064 51.045 60.982 427 HA LEU 55 HA LEU 55 7.395 49.652 63.105 428 HG LEU 55 HG LEU 55 3.261 50.649 63.460 429 HB2 LEU 55 HB2 LEU 55 5.433 49.947 64.346 430 HB3 LEU 55 HB3 LEU 55 5.559 51.386 63.337 431 HD11 LEU 55 HD11 LEU 55 3.950 51.668 61.386 432 HD12 LEU 55 HD12 LEU 55 2.802 50.372 61.050 433 HD13 LEU 55 HD13 LEU 55 4.525 50.116 60.775 434 HD21 LEU 55 HD21 LEU 55 4.221 48.132 63.641 435 HD22 LEU 55 HD22 LEU 55 3.707 48.160 61.954 436 HD23 LEU 55 HD23 LEU 55 2.549 48.525 63.234 437 H GLN 56 H GLN 56 5.661 48.719 60.318 438 HA GLN 56 HA GLN 56 4.426 46.357 61.084 439 HB2 GLN 56 HB2 GLN 56 3.987 47.097 58.901 440 HB3 GLN 56 HB3 GLN 56 5.695 47.242 58.509 441 HG2 GLN 56 HG2 GLN 56 5.414 45.309 57.442 442 HG3 GLN 56 HG3 GLN 56 5.484 44.585 59.048 443 HE21 GLN 56 HE21 GLN 56 4.065 43.816 56.545 444 HE22 GLN 56 HE22 GLN 56 2.413 43.622 57.012 445 H GLN 57 H GLN 57 7.807 47.000 60.371 446 HA GLN 57 HA GLN 57 8.627 44.272 60.365 447 HB2 GLN 57 HB2 GLN 57 9.889 46.894 60.138 448 HB3 GLN 57 HB3 GLN 57 10.869 45.745 61.041 449 HG2 GLN 57 HG2 GLN 57 10.641 44.153 59.151 450 HG3 GLN 57 HG3 GLN 57 9.810 45.417 58.246 451 HE21 GLN 57 HE21 GLN 57 12.504 43.933 58.092 452 HE22 GLN 57 HE22 GLN 57 13.635 45.204 57.795 453 H SER 58 H SER 58 8.228 46.713 62.828 454 HA SER 58 HA SER 58 9.627 45.191 64.846 455 HG SER 58 HG SER 58 10.101 47.116 66.778 456 HB2 SER 58 HB2 SER 58 8.592 47.878 64.578 457 HB3 SER 58 HB3 SER 58 8.082 47.167 66.110 458 H THR 59 H THR 59 6.269 46.371 64.583 459 HA THR 59 HA THR 59 5.082 45.023 66.612 460 HB THR 59 HB THR 59 3.856 46.547 65.126 461 HG1 THR 59 HG1 THR 59 2.398 44.171 64.906 462 HG21 THR 59 HG21 THR 59 3.484 44.315 63.164 463 HG22 THR 59 HG22 THR 59 4.875 45.391 63.028 464 HG23 THR 59 HG23 THR 59 3.241 46.048 62.945 465 H ASP 60 H ASP 60 6.429 43.639 63.754 466 HA ASP 60 HA ASP 60 5.069 41.260 63.475 467 HB2 ASP 60 HB2 ASP 60 7.482 42.345 62.526 468 HB3 ASP 60 HB3 ASP 60 7.909 40.791 63.236 469 H ALA 61 H ALA 61 7.720 42.006 65.708 470 HA ALA 61 HA ALA 61 8.212 39.548 66.811 471 HB1 ALA 61 HB1 ALA 61 8.920 42.137 67.409 472 HB2 ALA 61 HB2 ALA 61 8.054 41.615 68.855 473 HB3 ALA 61 HB3 ALA 61 9.444 40.694 68.278 474 H LEU 62 H LEU 62 5.506 41.703 67.470 475 HA LEU 62 HA LEU 62 4.461 39.952 69.535 476 HG LEU 62 HG LEU 62 2.765 41.005 70.973 477 HB2 LEU 62 HB2 LEU 62 4.330 42.468 69.609 478 HB3 LEU 62 HB3 LEU 62 3.139 42.364 68.315 479 HD11 LEU 62 HD11 LEU 62 2.804 43.792 70.479 480 HD12 LEU 62 HD12 LEU 62 2.330 42.942 71.950 481 HD13 LEU 62 HD13 LEU 62 1.124 43.308 70.717 482 HD21 LEU 62 HD21 LEU 62 1.227 41.304 68.498 483 HD22 LEU 62 HD22 LEU 62 0.319 41.651 69.970 484 HD23 LEU 62 HD23 LEU 62 1.110 40.087 69.770 485 H TYR 63 H TYR 63 3.445 41.112 66.329 486 HA TYR 63 HA TYR 63 1.062 39.829 66.017 487 HD1 TYR 63 HD1 TYR 63 4.009 38.470 63.256 488 HD2 TYR 63 HD2 TYR 63 -0.009 39.791 62.798 489 HE1 TYR 63 HE1 TYR 63 3.686 36.839 61.443 490 HE2 TYR 63 HE2 TYR 63 -0.344 38.162 60.986 491 HH TYR 63 HH TYR 63 1.569 35.602 60.438 492 HB2 TYR 63 HB2 TYR 63 1.501 41.036 64.141 493 HB3 TYR 63 HB3 TYR 63 3.220 40.657 64.171 494 H SER 64 H SER 64 4.286 38.428 65.647 495 HA SER 64 HA SER 64 3.225 35.833 64.942 496 HG SER 64 HG SER 64 6.646 34.747 64.655 497 HB2 SER 64 HB2 SER 64 5.304 36.431 63.912 498 HB3 SER 64 HB3 SER 64 6.031 36.828 65.470 499 H HIS 65 H HIS 65 4.998 37.229 67.691 500 HA HIS 65 HA HIS 65 5.259 35.064 69.328 501 HD1 HIS 65 HD1 HIS 65 7.151 35.944 71.832 502 HD2 HIS 65 HD2 HIS 65 3.177 36.953 72.501 503 HE1 HIS 65 HE1 HIS 65 6.719 35.407 74.252 504 HB2 HIS 65 HB2 HIS 65 6.111 37.270 69.925 505 HB3 HIS 65 HB3 HIS 65 4.469 37.867 70.145 506 H LEU 66 H LEU 66 2.485 37.303 69.528 507 HA LEU 66 HA LEU 66 0.909 35.903 71.272 508 HG LEU 66 HG LEU 66 -1.646 36.099 70.693 509 HB2 LEU 66 HB2 LEU 66 0.283 38.088 70.530 510 HB3 LEU 66 HB3 LEU 66 0.102 37.528 68.869 511 HD11 LEU 66 HD11 LEU 66 -2.534 38.898 70.350 512 HD12 LEU 66 HD12 LEU 66 -1.324 38.592 71.596 513 HD13 LEU 66 HD13 LEU 66 -2.871 37.747 71.644 514 HD21 LEU 66 HD21 LEU 66 -1.558 36.971 68.014 515 HD22 LEU 66 HD22 LEU 66 -2.979 37.712 68.748 516 HD23 LEU 66 HD23 LEU 66 -2.778 35.960 68.790 517 H GLU 67 H GLU 67 0.670 35.669 67.717 518 HA GLU 67 HA GLU 67 -1.133 33.532 67.671 519 HB2 GLU 67 HB2 GLU 67 -0.251 35.114 65.769 520 HB3 GLU 67 HB3 GLU 67 0.932 33.836 65.527 521 HG2 GLU 67 HG2 GLU 67 -1.146 32.282 65.466 522 HG3 GLU 67 HG3 GLU 67 -2.024 33.774 65.136 523 H ALA 68 H ALA 68 2.188 33.608 68.451 524 HA ALA 68 HA ALA 68 2.703 30.837 67.799 525 HB1 ALA 68 HB1 ALA 68 4.671 31.917 69.563 526 HB2 ALA 68 HB2 ALA 68 4.819 31.496 67.856 527 HB3 ALA 68 HB3 ALA 68 4.284 33.112 68.324 528 H GLN 69 H GLN 69 2.794 32.699 70.847 529 HA GLN 69 HA GLN 69 2.454 30.246 72.365 530 HB2 GLN 69 HB2 GLN 69 2.504 32.975 73.600 531 HB3 GLN 69 HB3 GLN 69 3.102 31.451 74.245 532 HG2 GLN 69 HG2 GLN 69 4.399 32.581 71.820 533 HG3 GLN 69 HG3 GLN 69 4.740 33.310 73.388 534 HE21 GLN 69 HE21 GLN 69 6.918 32.623 73.109 535 HE22 GLN 69 HE22 GLN 69 7.370 30.988 73.433 536 H TRP 70 H TRP 70 0.823 33.420 72.279 537 HA TRP 70 HA TRP 70 -1.343 32.918 73.845 538 HD1 TRP 70 HD1 TRP 70 -4.266 34.679 73.193 539 HE1 TRP 70 HE1 TRP 70 -4.571 36.383 75.097 540 HE3 TRP 70 HE3 TRP 70 0.598 36.148 73.751 541 HZ2 TRP 70 HZ2 TRP 70 -2.961 38.121 76.631 542 HZ3 TRP 70 HZ3 TRP 70 1.132 37.836 75.459 543 HH2 TRP 70 HH2 TRP 70 -0.613 38.802 76.869 544 HB2 TRP 70 HB2 TRP 70 -0.641 34.871 71.957 545 HB3 TRP 70 HB3 TRP 70 -2.229 34.296 71.460 546 H ALA 71 H ALA 71 -0.710 31.639 70.675 547 HA ALA 71 HA ALA 71 -3.257 30.845 69.886 548 HB1 ALA 71 HB1 ALA 71 -0.558 30.302 69.097 549 HB2 ALA 71 HB2 ALA 71 -1.497 28.809 69.076 550 HB3 ALA 71 HB3 ALA 71 -2.038 30.207 68.144 551 H LYS 72 H LYS 72 -0.942 29.245 72.024 552 HA LYS 72 HA LYS 72 -1.999 26.763 72.345 553 HB2 LYS 72 HB2 LYS 72 -0.989 28.584 74.537 554 HB3 LYS 72 HB3 LYS 72 -1.208 26.846 74.698 555 HG2 LYS 72 HG2 LYS 72 0.533 27.939 72.530 556 HG3 LYS 72 HG3 LYS 72 1.141 27.807 74.183 557 HD2 LYS 72 HD2 LYS 72 1.752 25.748 73.446 558 HD3 LYS 72 HD3 LYS 72 0.099 25.362 73.928 559 HE2 LYS 72 HE2 LYS 72 -0.672 25.370 71.731 560 HE3 LYS 72 HE3 LYS 72 0.701 26.312 71.151 561 HZ1 LYS 72 HZ1 LYS 72 0.596 23.797 70.661 562 HZ2 LYS 72 HZ2 LYS 72 1.129 23.617 72.256 563 HZ3 LYS 72 HZ3 LYS 72 2.068 24.475 71.143 564 H GLN 73 H GLN 73 -3.399 29.774 73.366 565 HA GLN 73 HA GLN 73 -5.169 29.040 75.326 566 HB2 GLN 73 HB2 GLN 73 -5.449 30.995 73.056 567 HB3 GLN 73 HB3 GLN 73 -6.714 30.795 74.260 568 HG2 GLN 73 HG2 GLN 73 -3.912 31.331 75.130 569 HG3 GLN 73 HG3 GLN 73 -4.922 32.651 74.542 570 HE21 GLN 73 HE21 GLN 73 -4.460 30.285 77.043 571 HE22 GLN 73 HE22 GLN 73 -5.564 30.972 78.179 572 H HIS 74 H HIS 74 -5.893 29.036 71.831 573 HA HIS 74 HA HIS 74 -7.700 26.768 72.287 574 HD1 HIS 74 HD1 HIS 74 -8.887 30.489 73.128 575 HD2 HIS 74 HD2 HIS 74 -10.906 26.904 72.550 576 HE1 HIS 74 HE1 HIS 74 -10.634 30.403 74.935 577 HB2 HIS 74 HB2 HIS 74 -8.344 29.360 70.903 578 HB3 HIS 74 HB3 HIS 74 -9.210 27.878 70.506 579 H GLY 75 H GLY 75 -6.003 28.756 69.882 580 HA2 GLY 75 HA2 GLY 75 -4.567 27.928 68.216 581 HA3 GLY 75 HA3 GLY 75 -5.216 26.318 68.487 582 H THR 76 H THR 76 -7.997 27.502 68.343 583 HA THR 76 HA THR 76 -8.263 27.221 65.466 584 HB THR 76 HB THR 76 -10.256 26.349 65.938 585 HG1 THR 76 HG1 THR 76 -11.185 28.420 65.905 586 HG21 THR 76 HG21 THR 76 -8.991 25.753 68.062 587 HG22 THR 76 HG22 THR 76 -10.750 25.671 68.149 588 HG23 THR 76 HG23 THR 76 -9.896 27.049 68.844 589 HA PRO 77 HA PRO 77 -10.211 31.609 66.138 590 HB2 PRO 77 HB2 PRO 77 -9.653 32.836 68.494 591 HB3 PRO 77 HB3 PRO 77 -11.070 31.806 68.259 592 HG2 PRO 77 HG2 PRO 77 -8.439 31.148 69.526 593 HG3 PRO 77 HG3 PRO 77 -10.076 30.723 70.061 594 HD2 PRO 77 HD2 PRO 77 -8.472 28.977 68.753 595 HD3 PRO 77 HD3 PRO 77 -10.238 28.963 68.581 596 HA PRO 78 HA PRO 78 -5.724 33.323 67.057 597 HB2 PRO 78 HB2 PRO 78 -3.821 31.386 67.067 598 HB3 PRO 78 HB3 PRO 78 -4.638 31.937 68.534 599 HG2 PRO 78 HG2 PRO 78 -5.179 29.514 66.863 600 HG3 PRO 78 HG3 PRO 78 -5.124 29.666 68.629 601 HD2 PRO 78 HD2 PRO 78 -7.450 29.609 67.241 602 HD3 PRO 78 HD3 PRO 78 -7.257 30.534 68.744 603 H THR 79 H THR 79 -5.633 34.204 65.063 604 HA THR 79 HA THR 79 -4.127 32.859 63.024 605 HB THR 79 HB THR 79 -6.386 31.928 62.608 606 HG1 THR 79 HG1 THR 79 -6.452 32.743 60.344 607 HG21 THR 79 HG21 THR 79 -8.169 33.369 61.795 608 HG22 THR 79 HG22 THR 79 -7.151 34.791 62.021 609 HG23 THR 79 HG23 THR 79 -7.687 33.859 63.419 610 H ALA 80 H ALA 80 -3.618 34.258 61.214 611 HA ALA 80 HA ALA 80 -2.723 36.724 61.774 612 HB1 ALA 80 HB1 ALA 80 -3.296 37.240 59.258 613 HB2 ALA 80 HB2 ALA 80 -2.082 36.035 59.690 614 HB3 ALA 80 HB3 ALA 80 -3.708 35.526 59.236 615 H SER 81 H SER 81 -6.045 35.914 60.974 616 HA SER 81 HA SER 81 -6.948 38.609 60.733 617 HG SER 81 HG SER 81 -9.836 38.057 60.036 618 HB2 SER 81 HB2 SER 81 -8.033 36.052 60.280 619 HB3 SER 81 HB3 SER 81 -9.054 36.793 61.510 620 H ASP 82 H ASP 82 -7.233 36.164 63.302 621 HA ASP 82 HA ASP 82 -8.539 37.867 65.147 622 HB2 ASP 82 HB2 ASP 82 -7.440 35.167 65.133 623 HB3 ASP 82 HB3 ASP 82 -7.206 35.977 66.679 624 H VAL 83 H VAL 83 -5.157 36.740 65.027 625 HA VAL 83 HA VAL 83 -4.081 38.082 67.135 626 HB VAL 83 HB VAL 83 -2.788 37.818 64.417 627 HG11 VAL 83 HG11 VAL 83 -1.843 38.808 67.013 628 HG12 VAL 83 HG12 VAL 83 -0.790 37.618 66.246 629 HG13 VAL 83 HG13 VAL 83 -1.219 39.098 65.389 630 HG21 VAL 83 HG21 VAL 83 -1.911 35.925 66.396 631 HG22 VAL 83 HG22 VAL 83 -3.657 35.822 66.176 632 HG23 VAL 83 HG23 VAL 83 -2.582 35.636 64.791 633 H VAL 84 H VAL 84 -5.345 39.457 64.238 634 HA VAL 84 HA VAL 84 -3.995 41.892 64.117 635 HB VAL 84 HB VAL 84 -6.877 41.301 63.430 636 HG11 VAL 84 HG11 VAL 84 -7.154 43.397 62.698 637 HG12 VAL 84 HG12 VAL 84 -5.771 43.788 63.723 638 HG13 VAL 84 HG13 VAL 84 -5.533 43.467 62.004 639 HG21 VAL 84 HG21 VAL 84 -5.996 40.137 61.749 640 HG22 VAL 84 HG22 VAL 84 -5.358 41.656 61.118 641 HG23 VAL 84 HG23 VAL 84 -4.363 40.651 62.173 642 H GLY 85 H GLY 85 -6.776 40.917 66.069 643 HA2 GLY 85 HA2 GLY 85 -6.444 43.416 67.606 644 HA3 GLY 85 HA3 GLY 85 -8.037 42.796 67.196 645 H MET 86 H MET 86 -6.047 40.204 67.758 646 HA MET 86 HA MET 86 -7.374 39.492 70.158 647 HB2 MET 86 HB2 MET 86 -6.349 37.949 68.382 648 HB3 MET 86 HB3 MET 86 -4.810 38.250 69.180 649 HG2 MET 86 HG2 MET 86 -6.355 37.558 71.291 650 HG3 MET 86 HG3 MET 86 -7.079 36.589 70.009 651 HE1 MET 86 HE1 MET 86 -4.599 34.507 68.568 652 HE2 MET 86 HE2 MET 86 -5.560 33.736 69.830 653 HE3 MET 86 HE3 MET 86 -6.279 34.988 68.815 654 HA PRO 87 HA PRO 87 -3.065 40.517 72.161 655 HB2 PRO 87 HB2 PRO 87 -1.508 42.252 70.772 656 HB3 PRO 87 HB3 PRO 87 -1.404 40.499 70.575 657 HG2 PRO 87 HG2 PRO 87 -2.823 42.514 68.877 658 HG3 PRO 87 HG3 PRO 87 -1.835 41.129 68.378 659 HD2 PRO 87 HD2 PRO 87 -4.542 41.063 68.377 660 HD3 PRO 87 HD3 PRO 87 -3.553 39.627 68.706 661 H GLN 88 H GLN 88 -2.029 42.700 72.946 662 HA GLN 88 HA GLN 88 -4.249 44.458 73.537 663 HB2 GLN 88 HB2 GLN 88 -2.601 45.581 75.045 664 HB3 GLN 88 HB3 GLN 88 -2.834 43.870 75.379 665 HG2 GLN 88 HG2 GLN 88 -0.728 43.932 73.579 666 HG3 GLN 88 HG3 GLN 88 -0.436 45.304 74.646 667 HE21 GLN 88 HE21 GLN 88 0.608 42.396 74.238 668 HE22 GLN 88 HE22 GLN 88 0.761 41.823 75.860 669 H TRP 89 H TRP 89 -1.157 44.621 71.845 670 HA TRP 89 HA TRP 89 -0.799 47.255 71.365 671 HD1 TRP 89 HD1 TRP 89 -0.902 43.176 69.135 672 HE1 TRP 89 HE1 TRP 89 -1.834 42.926 66.748 673 HE3 TRP 89 HE3 TRP 89 -0.620 48.057 67.637 674 HZ2 TRP 89 HZ2 TRP 89 -2.377 44.578 64.526 675 HZ3 TRP 89 HZ3 TRP 89 -1.365 48.637 65.366 676 HH2 TRP 89 HH2 TRP 89 -2.225 46.933 63.843 677 HB2 TRP 89 HB2 TRP 89 0.507 46.667 69.560 678 HB3 TRP 89 HB3 TRP 89 0.382 45.110 70.376 679 H GLN 90 H GLN 90 -3.009 45.161 69.522 680 HA GLN 90 HA GLN 90 -3.971 46.887 67.652 681 HB2 GLN 90 HB2 GLN 90 -6.017 45.609 67.626 682 HB3 GLN 90 HB3 GLN 90 -4.669 44.518 67.912 683 HG2 GLN 90 HG2 GLN 90 -6.015 43.720 69.519 684 HG3 GLN 90 HG3 GLN 90 -5.351 45.064 70.446 685 HE21 GLN 90 HE21 GLN 90 -7.227 45.086 71.730 686 HE22 GLN 90 HE22 GLN 90 -8.704 45.772 71.150 687 H GLU 91 H GLU 91 -4.851 46.764 71.065 688 HA GLU 91 HA GLU 91 -6.819 48.862 70.784 689 HB2 GLU 91 HB2 GLU 91 -7.023 46.989 72.440 690 HB3 GLU 91 HB3 GLU 91 -5.672 47.691 73.322 691 HG2 GLU 91 HG2 GLU 91 -7.207 49.842 73.235 692 HG3 GLU 91 HG3 GLU 91 -8.473 48.626 73.079 693 H TYR 92 H TYR 92 -3.552 48.512 72.086 694 HA TYR 92 HA TYR 92 -3.310 51.087 73.182 695 HD1 TYR 92 HD1 TYR 92 -3.136 47.983 73.972 696 HD2 TYR 92 HD2 TYR 92 -0.057 50.759 74.931 697 HE1 TYR 92 HE1 TYR 92 -3.182 47.218 76.309 698 HE2 TYR 92 HE2 TYR 92 -0.094 50.001 77.270 699 HH TYR 92 HH TYR 92 -2.434 48.504 78.681 700 HB2 TYR 92 HB2 TYR 92 -1.329 49.042 72.228 701 HB3 TYR 92 HB3 TYR 92 -0.785 50.632 72.754 702 H THR 93 H THR 93 -1.933 49.873 70.121 703 HA THR 93 HA THR 93 -0.949 52.166 69.055 704 HB THR 93 HB THR 93 -0.762 50.019 67.908 705 HG1 THR 93 HG1 THR 93 -2.102 51.516 65.981 706 HG21 THR 93 HG21 THR 93 -2.620 48.777 67.765 707 HG22 THR 93 HG22 THR 93 -3.037 49.768 66.368 708 HG23 THR 93 HG23 THR 93 -3.672 50.178 67.961 709 H ALA 94 H ALA 94 -4.316 51.277 69.356 710 HA ALA 94 HA ALA 94 -5.402 53.199 67.596 711 HB1 ALA 94 HB1 ALA 94 -7.385 52.853 69.403 712 HB2 ALA 94 HB2 ALA 94 -7.047 51.743 68.075 713 HB3 ALA 94 HB3 ALA 94 -6.422 51.405 69.690 714 H MET 95 H MET 95 -4.573 53.298 71.027 715 HA MET 95 HA MET 95 -5.756 55.756 71.662 716 HB2 MET 95 HB2 MET 95 -4.270 53.857 73.015 717 HB3 MET 95 HB3 MET 95 -3.222 55.269 73.033 718 HG2 MET 95 HG2 MET 95 -4.411 56.173 74.656 719 HG3 MET 95 HG3 MET 95 -5.872 56.086 73.675 720 HE1 MET 95 HE1 MET 95 -7.742 53.543 74.168 721 HE2 MET 95 HE2 MET 95 -8.024 54.305 75.733 722 HE3 MET 95 HE3 MET 95 -7.664 55.299 74.321 723 H LEU 96 H LEU 96 -2.957 55.009 69.811 724 HA LEU 96 HA LEU 96 -1.719 57.597 70.108 725 HG LEU 96 HG LEU 96 -1.296 54.162 69.649 726 HB2 LEU 96 HB2 LEU 96 -1.029 55.809 67.845 727 HB3 LEU 96 HB3 LEU 96 0.019 56.769 68.886 728 HD11 LEU 96 HD11 LEU 96 0.781 53.118 69.352 729 HD12 LEU 96 HD12 LEU 96 1.632 54.655 69.204 730 HD13 LEU 96 HD13 LEU 96 0.565 54.110 67.910 731 HD21 LEU 96 HD21 LEU 96 0.903 54.906 71.298 732 HD22 LEU 96 HD22 LEU 96 -0.783 54.653 71.749 733 HD23 LEU 96 HD23 LEU 96 -0.237 56.250 71.240 734 H ARG 97 H ARG 97 -3.276 55.863 67.407 735 HA ARG 97 HA ARG 97 -3.312 58.101 65.677 736 HE ARG 97 HE ARG 97 -5.934 52.198 65.108 737 HB2 ARG 97 HB2 ARG 97 -5.013 56.738 64.402 738 HB3 ARG 97 HB3 ARG 97 -3.471 55.943 64.691 739 HG2 ARG 97 HG2 ARG 97 -4.929 55.161 66.863 740 HG3 ARG 97 HG3 ARG 97 -6.152 55.228 65.593 741 HD2 ARG 97 HD2 ARG 97 -3.848 54.009 64.493 742 HD3 ARG 97 HD3 ARG 97 -4.152 53.249 66.054 743 HH11 ARG 97 HH11 ARG 97 -5.245 55.067 63.260 744 HH12 ARG 97 HH12 ARG 97 -6.455 54.744 62.063 745 HH21 ARG 97 HH21 ARG 97 -7.530 51.762 63.538 746 HH22 ARG 97 HH22 ARG 97 -7.755 52.865 62.222 747 H GLU 98 H GLU 98 -5.753 56.689 67.828 748 HA GLU 98 HA GLU 98 -7.755 58.620 67.141 749 HB2 GLU 98 HB2 GLU 98 -8.580 56.536 67.878 750 HB3 GLU 98 HB3 GLU 98 -7.526 56.522 69.284 751 HG2 GLU 98 HG2 GLU 98 -8.805 58.357 70.265 752 HG3 GLU 98 HG3 GLU 98 -9.865 58.366 68.857 753 H ARG 99 H ARG 99 -5.835 58.045 70.091 754 HA ARG 99 HA ARG 99 -6.580 60.650 71.130 755 HE ARG 99 HE ARG 99 -5.546 60.838 75.755 756 HB2 ARG 99 HB2 ARG 99 -5.847 58.202 72.279 757 HB3 ARG 99 HB3 ARG 99 -4.517 59.294 72.638 758 HG2 ARG 99 HG2 ARG 99 -7.419 59.800 73.264 759 HG3 ARG 99 HG3 ARG 99 -6.185 59.284 74.415 760 HD2 ARG 99 HD2 ARG 99 -5.073 61.511 73.217 761 HD3 ARG 99 HD3 ARG 99 -6.777 61.933 73.377 762 HH11 ARG 99 HH11 ARG 99 -6.370 63.700 73.953 763 HH12 ARG 99 HH12 ARG 99 -6.305 64.746 75.333 764 HH21 ARG 99 HH21 ARG 99 -5.456 62.204 77.578 765 HH22 ARG 99 HH22 ARG 99 -5.784 63.894 77.395 766 H PHE 100 H PHE 100 -4.836 60.272 68.704 767 HA PHE 100 HA PHE 100 -2.183 60.813 69.094 768 HD1 PHE 100 HD1 PHE 100 -5.780 61.667 67.702 769 HD2 PHE 100 HD2 PHE 100 -2.548 63.676 65.793 770 HE1 PHE 100 HE1 PHE 100 -7.333 63.398 66.899 771 HE2 PHE 100 HE2 PHE 100 -4.097 65.410 64.988 772 HZ PHE 100 HZ PHE 100 -6.493 65.272 65.541 773 HB2 PHE 100 HB2 PHE 100 -2.129 61.730 66.911 774 HB3 PHE 100 HB3 PHE 100 -3.435 60.549 66.890 775 H ALA 101 H ALA 101 -4.901 62.979 69.500 776 HA ALA 101 HA ALA 101 -3.721 65.455 69.525 777 HB1 ALA 101 HB1 ALA 101 -5.608 64.979 71.738 778 HB2 ALA 101 HB2 ALA 101 -5.636 66.193 70.458 779 HB3 ALA 101 HB3 ALA 101 -6.183 64.549 70.126 780 H GLY 102 H GLY 102 -3.478 62.921 71.928 781 HA2 GLY 102 HA2 GLY 102 -1.722 64.682 73.524 782 HA3 GLY 102 HA3 GLY 102 -2.713 63.409 74.221 783 H LEU 103 H LEU 103 -0.100 63.899 71.857 784 HA LEU 103 HA LEU 103 0.899 61.214 72.495 785 HG LEU 103 HG LEU 103 -0.597 61.511 70.087 786 HB2 LEU 103 HB2 LEU 103 1.397 63.078 70.191 787 HB3 LEU 103 HB3 LEU 103 2.383 61.647 70.479 788 HD11 LEU 103 HD11 LEU 103 1.248 62.326 68.163 789 HD12 LEU 103 HD12 LEU 103 -0.397 61.753 67.891 790 HD13 LEU 103 HD13 LEU 103 0.951 60.619 67.828 791 HD21 LEU 103 HD21 LEU 103 1.070 59.276 69.260 792 HD22 LEU 103 HD22 LEU 103 -0.359 59.303 70.292 793 HD23 LEU 103 HD23 LEU 103 1.229 59.648 70.977 794 H ASP 104 H ASP 104 2.155 61.369 74.267 795 HA ASP 104 HA ASP 104 4.477 63.159 74.097 796 HB2 ASP 104 HB2 ASP 104 2.401 63.659 75.815 797 HB3 ASP 104 HB3 ASP 104 3.487 62.711 76.827 798 H THR 105 H THR 105 6.061 62.519 75.983 799 HA THR 105 HA THR 105 6.677 59.730 75.550 800 HB THR 105 HB THR 105 8.515 61.296 75.475 801 HG1 THR 105 HG1 THR 105 9.112 60.123 77.913 802 HG21 THR 105 HG21 THR 105 7.369 62.196 78.055 803 HG22 THR 105 HG22 THR 105 8.141 63.127 76.773 804 HG23 THR 105 HG23 THR 105 9.127 62.214 77.915 805 H ILE 106 H ILE 106 5.340 61.704 78.075 806 HA ILE 106 HA ILE 106 4.857 61.262 80.290 807 HB ILE 106 HB ILE 106 3.321 59.326 80.521 808 HG12 ILE 106 HG12 ILE 106 4.631 57.945 78.802 809 HG13 ILE 106 HG13 ILE 106 2.876 57.839 78.746 810 HG21 ILE 106 HG21 ILE 106 3.036 61.623 78.866 811 HG22 ILE 106 HG22 ILE 106 2.123 60.296 78.149 812 HG23 ILE 106 HG23 ILE 106 1.807 60.785 79.814 813 HD11 ILE 106 HD11 ILE 106 4.614 58.448 76.655 814 HD12 ILE 106 HD12 ILE 106 2.852 58.529 76.647 815 HD13 ILE 106 HD13 ILE 106 3.799 59.961 77.052 Start of MODEL 9 1 H LYS 1 H LYS 1 28.385 70.054 48.671 2 HA LYS 1 HA LYS 1 27.200 68.310 50.715 3 HB2 LYS 1 HB2 LYS 1 30.080 69.026 50.144 4 HB3 LYS 1 HB3 LYS 1 29.559 68.031 51.498 5 HG2 LYS 1 HG2 LYS 1 28.622 66.401 49.921 6 HG3 LYS 1 HG3 LYS 1 29.197 67.391 48.577 7 HD2 LYS 1 HD2 LYS 1 31.510 67.168 49.707 8 HD3 LYS 1 HD3 LYS 1 30.781 65.819 50.581 9 HE2 LYS 1 HE2 LYS 1 30.226 65.717 47.734 10 HE3 LYS 1 HE3 LYS 1 31.956 65.723 48.074 11 HZ1 LYS 1 HZ1 LYS 1 31.494 63.887 49.690 12 HZ2 LYS 1 HZ2 LYS 1 31.258 63.483 48.064 13 HZ3 LYS 1 HZ3 LYS 1 29.927 63.799 49.058 14 H GLN 2 H GLN 2 26.870 68.992 52.760 15 HA GLN 2 HA GLN 2 26.856 71.771 53.312 16 HB2 GLN 2 HB2 GLN 2 26.426 69.340 55.040 17 HB3 GLN 2 HB3 GLN 2 26.324 70.976 55.677 18 HG2 GLN 2 HG2 GLN 2 24.172 70.888 55.140 19 HG3 GLN 2 HG3 GLN 2 24.703 71.088 53.470 20 HE21 GLN 2 HE21 GLN 2 22.998 69.931 52.625 21 HE22 GLN 2 HE22 GLN 2 22.853 68.218 52.799 22 H GLN 3 H GLN 3 28.793 69.114 54.689 23 HA GLN 3 HA GLN 3 30.822 69.083 55.717 24 HB2 GLN 3 HB2 GLN 3 31.075 70.773 53.484 25 HB3 GLN 3 HB3 GLN 3 31.887 71.603 54.804 26 HG2 GLN 3 HG2 GLN 3 32.866 69.113 55.125 27 HG3 GLN 3 HG3 GLN 3 32.617 69.139 53.380 28 HE21 GLN 3 HE21 GLN 3 34.987 69.337 55.364 29 HE22 GLN 3 HE22 GLN 3 35.941 70.613 54.697 30 H LEU 4 H LEU 4 28.699 70.176 57.186 31 HA LEU 4 HA LEU 4 30.104 72.197 58.805 32 HG LEU 4 HG LEU 4 28.697 73.414 56.732 33 HB2 LEU 4 HB2 LEU 4 27.180 71.917 58.173 34 HB3 LEU 4 HB3 LEU 4 27.763 72.875 59.533 35 HD11 LEU 4 HD11 LEU 4 26.278 73.487 56.640 36 HD12 LEU 4 HD12 LEU 4 26.937 75.121 56.573 37 HD13 LEU 4 HD13 LEU 4 26.230 74.517 58.072 38 HD21 LEU 4 HD21 LEU 4 29.251 74.481 59.299 39 HD22 LEU 4 HD22 LEU 4 28.377 75.707 58.380 40 HD23 LEU 4 HD23 LEU 4 29.863 75.013 57.731 41 H GLN 5 H GLN 5 29.071 72.250 61.110 42 HA GLN 5 HA GLN 5 28.781 69.467 62.034 43 HB2 GLN 5 HB2 GLN 5 30.429 71.725 63.083 44 HB3 GLN 5 HB3 GLN 5 29.773 70.562 64.227 45 HG2 GLN 5 HG2 GLN 5 31.139 69.442 61.866 46 HG3 GLN 5 HG3 GLN 5 32.152 70.292 63.033 47 HE21 GLN 5 HE21 GLN 5 32.900 69.140 64.658 48 HE22 GLN 5 HE22 GLN 5 32.246 67.649 65.236 49 H GLU 6 H GLU 6 27.750 69.346 64.257 50 HA GLU 6 HA GLU 6 26.038 71.459 65.105 51 HB2 GLU 6 HB2 GLU 6 23.889 70.411 64.584 52 HB3 GLU 6 HB3 GLU 6 24.784 70.782 63.116 53 HG2 GLU 6 HG2 GLU 6 24.731 68.667 62.470 54 HG3 GLU 6 HG3 GLU 6 25.394 68.122 64.010 55 H HIS 7 H HIS 7 24.499 70.681 66.838 56 HA HIS 7 HA HIS 7 25.720 68.426 68.291 57 HD1 HIS 7 HD1 HIS 7 26.386 68.187 71.062 58 HD2 HIS 7 HD2 HIS 7 27.614 71.834 69.493 59 HE1 HIS 7 HE1 HIS 7 28.751 68.499 71.857 60 HB2 HIS 7 HB2 HIS 7 25.013 71.150 69.122 61 HB3 HIS 7 HB3 HIS 7 24.433 69.901 70.219 62 H ALA 8 H ALA 8 24.451 66.734 68.647 63 HA ALA 8 HA ALA 8 21.549 67.062 68.318 64 HB1 ALA 8 HB1 ALA 8 23.445 64.853 67.758 65 HB2 ALA 8 HB2 ALA 8 21.811 64.418 68.261 66 HB3 ALA 8 HB3 ALA 8 22.057 65.420 66.830 67 HA PRO 9 HA PRO 9 20.688 66.154 72.524 68 HB2 PRO 9 HB2 PRO 9 18.418 64.680 72.319 69 HB3 PRO 9 HB3 PRO 9 18.464 66.420 72.014 70 HG2 PRO 9 HG2 PRO 9 18.507 64.152 70.060 71 HG3 PRO 9 HG3 PRO 9 17.602 65.674 69.986 72 HD2 PRO 9 HD2 PRO 9 19.894 65.273 68.601 73 HD3 PRO 9 HD3 PRO 9 19.423 66.866 69.228 74 H SER 10 H SER 10 21.182 64.670 74.062 75 HA SER 10 HA SER 10 22.757 62.535 73.696 76 HG SER 10 HG SER 10 19.988 63.701 75.445 77 HB2 SER 10 HB2 SER 10 21.825 61.583 75.839 78 HB3 SER 10 HB3 SER 10 22.286 63.284 75.927 79 H HIS 11 H HIS 11 19.207 62.315 73.840 80 HA HIS 11 HA HIS 11 19.106 59.545 73.250 81 HD1 HIS 11 HD1 HIS 11 17.234 58.160 74.437 82 HD2 HIS 11 HD2 HIS 11 16.583 62.005 75.869 83 HE1 HIS 11 HE1 HIS 11 16.665 57.884 76.871 84 HB2 HIS 11 HB2 HIS 11 17.090 61.769 73.229 85 HB3 HIS 11 HB3 HIS 11 16.665 60.181 72.597 86 H ALA 12 H ALA 12 18.354 58.526 71.313 87 HA ALA 12 HA ALA 12 18.575 60.105 68.857 88 HB1 ALA 12 HB1 ALA 12 20.750 59.315 68.885 89 HB2 ALA 12 HB2 ALA 12 20.290 57.774 69.610 90 HB3 ALA 12 HB3 ALA 12 19.919 58.097 67.916 91 H ASN 13 H ASN 13 17.981 58.678 66.909 92 HA ASN 13 HA ASN 13 15.446 57.428 67.522 93 HB2 ASN 13 HB2 ASN 13 16.194 58.979 65.469 94 HB3 ASN 13 HB3 ASN 13 16.523 57.405 64.750 95 HD21 ASN 13 HD21 ASN 13 14.563 59.285 63.903 96 HD22 ASN 13 HD22 ASN 13 13.017 58.531 64.074 97 H LEU 14 H LEU 14 18.582 56.471 66.205 98 HA LEU 14 HA LEU 14 17.757 53.734 65.815 99 HG LEU 14 HG LEU 14 19.240 52.397 64.584 100 HB2 LEU 14 HB2 LEU 14 19.745 55.323 64.774 101 HB3 LEU 14 HB3 LEU 14 20.629 54.258 65.865 102 HD11 LEU 14 HD11 LEU 14 19.690 53.967 62.177 103 HD12 LEU 14 HD12 LEU 14 18.414 54.625 63.200 104 HD13 LEU 14 HD13 LEU 14 18.317 52.957 62.635 105 HD21 LEU 14 HD21 LEU 14 21.728 53.779 63.589 106 HD22 LEU 14 HD22 LEU 14 21.158 52.217 63.001 107 HD23 LEU 14 HD23 LEU 14 21.630 52.403 64.690 108 H ASP 15 H ASP 15 17.931 55.202 68.539 109 HA ASP 15 HA ASP 15 19.899 53.843 70.063 110 HB2 ASP 15 HB2 ASP 15 19.168 55.738 71.151 111 HB3 ASP 15 HB3 ASP 15 17.489 55.491 70.679 112 H VAL 16 H VAL 16 16.393 53.326 69.707 113 HA VAL 16 HA VAL 16 16.640 50.743 71.053 114 HB VAL 16 HB VAL 16 14.136 50.694 70.845 115 HG11 VAL 16 HG11 VAL 16 15.092 51.379 72.917 116 HG12 VAL 16 HG12 VAL 16 15.456 52.987 72.288 117 HG13 VAL 16 HG13 VAL 16 13.780 52.498 72.549 118 HG21 VAL 16 HG21 VAL 16 14.649 52.890 69.111 119 HG22 VAL 16 HG22 VAL 16 13.109 52.120 69.490 120 HG23 VAL 16 HG23 VAL 16 13.685 53.468 70.469 121 H LYS 17 H LYS 17 15.204 48.963 70.066 122 HA LYS 17 HA LYS 17 15.485 48.931 67.138 123 HB2 LYS 17 HB2 LYS 17 16.144 46.625 68.979 124 HB3 LYS 17 HB3 LYS 17 16.254 46.617 67.224 125 HG2 LYS 17 HG2 LYS 17 18.224 47.697 67.207 126 HG3 LYS 17 HG3 LYS 17 17.790 48.731 68.571 127 HD2 LYS 17 HD2 LYS 17 19.294 47.471 69.681 128 HD3 LYS 17 HD3 LYS 17 17.956 46.325 69.800 129 HE2 LYS 17 HE2 LYS 17 19.560 44.942 68.952 130 HE3 LYS 17 HE3 LYS 17 18.884 45.556 67.444 131 HZ1 LYS 17 HZ1 LYS 17 21.378 45.572 67.634 132 HZ2 LYS 17 HZ2 LYS 17 21.214 46.814 68.771 133 HZ3 LYS 17 HZ3 LYS 17 20.669 47.042 67.186 134 H TRP 18 H TRP 18 14.328 46.792 66.317 135 HA TRP 18 HA TRP 18 11.607 47.135 66.634 136 HD1 TRP 18 HD1 TRP 18 12.722 48.006 64.555 137 HE1 TRP 18 HE1 TRP 18 14.177 48.059 62.433 138 HE3 TRP 18 HE3 TRP 18 13.726 43.011 64.133 139 HZ2 TRP 18 HZ2 TRP 18 15.566 46.226 60.796 140 HZ3 TRP 18 HZ3 TRP 18 15.125 42.243 62.260 141 HH2 TRP 18 HH2 TRP 18 16.024 43.819 60.627 142 HB2 TRP 18 HB2 TRP 18 12.792 44.444 65.985 143 HB3 TRP 18 HB3 TRP 18 11.314 45.173 65.364 144 H LEU 19 H LEU 19 10.153 45.136 67.316 145 HA LEU 19 HA LEU 19 10.413 44.947 70.157 146 HG LEU 19 HG LEU 19 8.334 43.364 71.119 147 HB2 LEU 19 HB2 LEU 19 8.298 44.968 68.567 148 HB3 LEU 19 HB3 LEU 19 8.516 43.221 68.651 149 HD11 LEU 19 HD11 LEU 19 7.065 45.957 71.184 150 HD12 LEU 19 HD12 LEU 19 8.757 46.077 70.700 151 HD13 LEU 19 HD13 LEU 19 8.329 45.292 72.221 152 HD21 LEU 19 HD21 LEU 19 6.148 44.163 69.267 153 HD22 LEU 19 HD22 LEU 19 5.839 44.205 71.003 154 HD23 LEU 19 HD23 LEU 19 6.335 42.699 70.232 155 H ASP 20 H ASP 20 11.428 43.026 67.506 156 HA ASP 20 HA ASP 20 11.848 40.688 69.228 157 HB2 ASP 20 HB2 ASP 20 10.911 40.845 66.651 158 HB3 ASP 20 HB3 ASP 20 12.609 40.447 66.404 159 H GLY 21 H GLY 21 13.696 40.925 70.344 160 HA2 GLY 21 HA2 GLY 21 16.017 40.706 70.539 161 HA3 GLY 21 HA3 GLY 21 16.173 41.088 68.830 162 H LEU 22 H LEU 22 16.597 42.226 71.947 163 HA LEU 22 HA LEU 22 17.426 44.809 70.977 164 HG LEU 22 HG LEU 22 16.389 46.732 70.966 165 HB2 LEU 22 HB2 LEU 22 14.833 44.661 71.762 166 HB3 LEU 22 HB3 LEU 22 15.620 45.082 73.281 167 HD11 LEU 22 HD11 LEU 22 14.206 48.089 71.473 168 HD12 LEU 22 HD12 LEU 22 13.570 46.502 71.903 169 HD13 LEU 22 HD13 LEU 22 14.203 46.790 70.281 170 HD21 LEU 22 HD21 LEU 22 17.247 47.374 73.055 171 HD22 LEU 22 HD22 LEU 22 15.690 47.161 73.856 172 HD23 LEU 22 HD23 LEU 22 15.930 48.504 72.738 173 H ARG 23 H ARG 23 19.326 45.121 71.909 174 HA ARG 23 HA ARG 23 20.063 43.724 74.315 175 HE ARG 23 HE ARG 23 25.055 44.202 73.257 176 HB2 ARG 23 HB2 ARG 23 21.572 44.228 72.303 177 HB3 ARG 23 HB3 ARG 23 21.685 45.860 72.947 178 HG2 ARG 23 HG2 ARG 23 23.390 45.161 74.173 179 HG3 ARG 23 HG3 ARG 23 22.240 44.208 75.113 180 HD2 ARG 23 HD2 ARG 23 23.422 42.427 74.466 181 HD3 ARG 23 HD3 ARG 23 22.663 42.649 72.890 182 HH11 ARG 23 HH11 ARG 23 23.755 41.123 72.280 183 HH12 ARG 23 HH12 ARG 23 25.116 40.715 71.290 184 HH21 ARG 23 HH21 ARG 23 26.853 43.676 71.956 185 HH22 ARG 23 HH22 ARG 23 26.879 42.167 71.107 186 H ALA 24 H ALA 24 19.891 47.166 73.396 187 HA ALA 24 HA ALA 24 20.542 48.486 75.618 188 HB1 ALA 24 HB1 ALA 24 19.299 49.258 73.416 189 HB2 ALA 24 HB2 ALA 24 17.904 49.267 74.497 190 HB3 ALA 24 HB3 ALA 24 19.316 50.258 74.870 191 H GLY 25 H GLY 25 17.124 47.547 75.171 192 HA2 GLY 25 HA2 GLY 25 15.822 46.370 76.770 193 HA3 GLY 25 HA3 GLY 25 17.019 46.763 77.995 194 H SER 26 H SER 26 13.947 47.299 77.224 195 HA SER 26 HA SER 26 13.974 50.038 78.314 196 HG SER 26 HG SER 26 11.453 50.637 78.049 197 HB2 SER 26 HB2 SER 26 13.222 50.042 75.978 198 HB3 SER 26 HB3 SER 26 11.985 48.846 76.366 199 H MET 27 H MET 27 12.819 50.391 80.113 200 HA MET 27 HA MET 27 10.818 48.404 80.924 201 HB2 MET 27 HB2 MET 27 13.267 49.236 82.403 202 HB3 MET 27 HB3 MET 27 11.805 48.942 83.332 203 HG2 MET 27 HG2 MET 27 12.585 46.884 81.357 204 HG3 MET 27 HG3 MET 27 13.584 47.044 82.800 205 HE1 MET 27 HE1 MET 27 9.520 45.179 82.346 206 HE2 MET 27 HE2 MET 27 9.469 46.924 82.093 207 HE3 MET 27 HE3 MET 27 10.553 45.924 81.125 208 H ALA 28 H ALA 28 9.208 49.186 82.363 209 HA ALA 28 HA ALA 28 7.641 50.718 82.994 210 HB1 ALA 28 HB1 ALA 28 10.181 51.564 84.046 211 HB2 ALA 28 HB2 ALA 28 9.143 52.956 83.734 212 HB3 ALA 28 HB3 ALA 28 8.578 51.651 84.778 213 H LEU 29 H LEU 29 8.417 50.726 80.203 214 HA LEU 29 HA LEU 29 7.121 53.122 79.395 215 HG LEU 29 HG LEU 29 8.154 55.010 80.022 216 HB2 LEU 29 HB2 LEU 29 10.018 53.113 79.525 217 HB3 LEU 29 HB3 LEU 29 9.435 53.424 77.891 218 HD11 LEU 29 HD11 LEU 29 10.780 54.744 80.407 219 HD12 LEU 29 HD12 LEU 29 9.922 56.259 80.685 220 HD13 LEU 29 HD13 LEU 29 10.808 56.012 79.180 221 HD21 LEU 29 HD21 LEU 29 7.763 55.226 77.552 222 HD22 LEU 29 HD22 LEU 29 9.412 55.838 77.414 223 HD23 LEU 29 HD23 LEU 29 8.221 56.721 78.371 224 H GLN 30 H GLN 30 6.603 53.140 77.161 225 HA GLN 30 HA GLN 30 7.126 50.579 75.800 226 HB2 GLN 30 HB2 GLN 30 4.642 51.917 76.426 227 HB3 GLN 30 HB3 GLN 30 4.805 51.690 74.690 228 HG2 GLN 30 HG2 GLN 30 4.245 49.564 74.882 229 HG3 GLN 30 HG3 GLN 30 5.576 49.285 76.004 230 HE21 GLN 30 HE21 GLN 30 3.385 47.814 76.347 231 HE22 GLN 30 HE22 GLN 30 2.490 48.332 77.730 232 H GLY 31 H GLY 31 8.708 51.062 74.379 233 HA2 GLY 31 HA2 GLY 31 8.723 53.581 72.953 234 HA3 GLY 31 HA3 GLY 31 9.904 52.287 72.803 235 H ASP 32 H ASP 32 7.465 50.438 72.426 236 HA ASP 32 HA ASP 32 7.598 50.289 69.623 237 HB2 ASP 32 HB2 ASP 32 5.570 48.763 69.903 238 HB3 ASP 32 HB3 ASP 32 7.032 48.301 70.770 239 H VAL 33 H VAL 33 4.846 51.267 71.675 240 HA VAL 33 HA VAL 33 3.449 52.378 69.406 241 HB VAL 33 HB VAL 33 1.727 53.028 71.042 242 HG11 VAL 33 HG11 VAL 33 1.702 50.468 72.047 243 HG12 VAL 33 HG12 VAL 33 1.055 50.972 70.484 244 HG13 VAL 33 HG13 VAL 33 2.689 50.317 70.593 245 HG21 VAL 33 HG21 VAL 33 3.019 53.584 72.962 246 HG22 VAL 33 HG22 VAL 33 2.012 52.204 73.401 247 HG23 VAL 33 HG23 VAL 33 3.721 51.968 73.036 248 H LYS 34 H LYS 34 5.299 53.564 72.147 249 HA LYS 34 HA LYS 34 4.643 56.258 72.085 250 HB2 LYS 34 HB2 LYS 34 5.990 55.430 73.872 251 HB3 LYS 34 HB3 LYS 34 7.234 54.871 72.762 252 HG2 LYS 34 HG2 LYS 34 7.258 57.474 72.153 253 HG3 LYS 34 HG3 LYS 34 6.717 57.573 73.831 254 HD2 LYS 34 HD2 LYS 34 8.715 56.925 74.644 255 HD3 LYS 34 HD3 LYS 34 8.963 55.738 73.361 256 HE2 LYS 34 HE2 LYS 34 9.770 57.379 71.867 257 HE3 LYS 34 HE3 LYS 34 9.199 58.698 72.888 258 HZ1 LYS 34 HZ1 LYS 34 10.825 57.746 74.599 259 HZ2 LYS 34 HZ2 LYS 34 11.465 58.617 73.298 260 HZ3 LYS 34 HZ3 LYS 34 11.524 56.927 73.294 261 H VAL 35 H VAL 35 7.146 54.540 70.243 262 HA VAL 35 HA VAL 35 7.753 56.948 68.724 263 HB VAL 35 HB VAL 35 9.601 55.814 67.825 264 HG11 VAL 35 HG11 VAL 35 10.734 54.818 69.775 265 HG12 VAL 35 HG12 VAL 35 9.907 56.326 70.173 266 HG13 VAL 35 HG13 VAL 35 9.191 54.778 70.628 267 HG21 VAL 35 HG21 VAL 35 7.892 53.514 68.021 268 HG22 VAL 35 HG22 VAL 35 9.344 53.748 67.049 269 HG23 VAL 35 HG23 VAL 35 9.477 53.155 68.705 270 H TRP 36 H TRP 36 5.773 54.172 68.485 271 HA TRP 36 HA TRP 36 5.620 53.514 65.859 272 HD1 TRP 36 HD1 TRP 36 2.970 51.064 65.520 273 HE1 TRP 36 HE1 TRP 36 1.006 51.520 63.921 274 HE3 TRP 36 HE3 TRP 36 2.265 56.033 66.494 275 HZ2 TRP 36 HZ2 TRP 36 -0.627 53.697 63.171 276 HZ3 TRP 36 HZ3 TRP 36 0.481 57.229 65.292 277 HH2 TRP 36 HH2 TRP 36 -0.933 56.083 63.665 278 HB2 TRP 36 HB2 TRP 36 4.170 52.398 67.365 279 HB3 TRP 36 HB3 TRP 36 3.406 53.904 67.867 280 H MET 37 H MET 37 4.684 56.538 67.295 281 HA MET 37 HA MET 37 3.266 57.447 64.941 282 HB2 MET 37 HB2 MET 37 3.138 59.610 66.199 283 HB3 MET 37 HB3 MET 37 2.439 58.236 67.045 284 HG2 MET 37 HG2 MET 37 4.987 58.192 67.976 285 HG3 MET 37 HG3 MET 37 4.731 59.918 67.742 286 HE1 MET 37 HE1 MET 37 2.866 56.850 70.265 287 HE2 MET 37 HE2 MET 37 1.444 57.560 69.497 288 HE3 MET 37 HE3 MET 37 2.755 56.919 68.505 289 H GLN 38 H GLN 38 6.251 58.367 66.656 290 HA GLN 38 HA GLN 38 7.139 60.308 64.877 291 HB2 GLN 38 HB2 GLN 38 9.229 60.159 65.929 292 HB3 GLN 38 HB3 GLN 38 8.087 59.653 67.168 293 HG2 GLN 38 HG2 GLN 38 8.787 57.481 67.127 294 HG3 GLN 38 HG3 GLN 38 9.322 57.568 65.450 295 HE21 GLN 38 HE21 GLN 38 11.246 58.936 65.050 296 HE22 GLN 38 HE22 GLN 38 12.505 58.923 66.232 297 H ASN 39 H ASN 39 7.234 56.835 64.644 298 HA ASN 39 HA ASN 39 9.201 56.603 62.634 299 HB2 ASN 39 HB2 ASN 39 7.233 54.869 63.918 300 HB3 ASN 39 HB3 ASN 39 7.465 54.482 62.215 301 HD21 ASN 39 HD21 ASN 39 9.560 55.510 64.893 302 HD22 ASN 39 HD22 ASN 39 10.735 54.262 64.675 303 H LEU 40 H LEU 40 5.651 56.730 62.440 304 HA LEU 40 HA LEU 40 5.715 56.844 59.553 305 HG LEU 40 HG LEU 40 3.811 56.362 62.706 306 HB2 LEU 40 HB2 LEU 40 3.177 57.567 60.689 307 HB3 LEU 40 HB3 LEU 40 3.607 56.173 59.701 308 HD11 LEU 40 HD11 LEU 40 1.737 55.587 62.783 309 HD12 LEU 40 HD12 LEU 40 2.154 54.256 61.705 310 HD13 LEU 40 HD13 LEU 40 1.622 55.798 61.036 311 HD21 LEU 40 HD21 LEU 40 4.092 53.755 62.161 312 HD22 LEU 40 HD22 LEU 40 5.458 54.857 62.337 313 HD23 LEU 40 HD23 LEU 40 4.868 54.436 60.729 314 H GLU 41 H GLU 41 5.773 59.063 62.161 315 HA GLU 41 HA GLU 41 4.495 61.303 61.292 316 HB2 GLU 41 HB2 GLU 41 5.971 60.933 63.384 317 HB3 GLU 41 HB3 GLU 41 7.293 61.501 62.373 318 HG2 GLU 41 HG2 GLU 41 6.674 63.623 62.581 319 HG3 GLU 41 HG3 GLU 41 4.985 63.250 62.242 320 H ASP 42 H ASP 42 7.625 60.097 60.188 321 HA ASP 42 HA ASP 42 8.005 62.322 58.382 322 HB2 ASP 42 HB2 ASP 42 9.901 61.153 59.536 323 HB3 ASP 42 HB3 ASP 42 9.572 59.742 58.535 324 H LEU 43 H LEU 43 7.756 58.791 57.910 325 HA LEU 43 HA LEU 43 7.535 58.676 55.199 326 HG LEU 43 HG LEU 43 7.290 57.051 58.392 327 HB2 LEU 43 HB2 LEU 43 5.599 56.996 56.668 328 HB3 LEU 43 HB3 LEU 43 6.801 56.548 55.458 329 HD11 LEU 43 HD11 LEU 43 6.524 54.922 58.412 330 HD12 LEU 43 HD12 LEU 43 8.185 54.578 57.931 331 HD13 LEU 43 HD13 LEU 43 6.911 54.647 56.713 332 HD21 LEU 43 HD21 LEU 43 9.604 56.394 57.919 333 HD22 LEU 43 HD22 LEU 43 9.159 57.877 57.074 334 HD23 LEU 43 HD23 LEU 43 9.235 56.350 56.195 335 H HIS 44 H HIS 44 4.991 59.513 57.496 336 HA HIS 44 HA HIS 44 2.723 59.462 56.020 337 HD1 HIS 44 HD1 HIS 44 1.649 60.611 60.024 338 HD2 HIS 44 HD2 HIS 44 0.388 60.220 56.085 339 HE1 HIS 44 HE1 HIS 44 -0.759 59.899 60.156 340 HB2 HIS 44 HB2 HIS 44 3.546 60.753 58.364 341 HB3 HIS 44 HB3 HIS 44 2.886 62.031 57.349 342 H THR 45 H THR 45 5.354 61.766 55.704 343 HA THR 45 HA THR 45 3.941 63.388 53.776 344 HB THR 45 HB THR 45 5.740 64.215 55.419 345 HG1 THR 45 HG1 THR 45 5.931 65.896 54.104 346 HG21 THR 45 HG21 THR 45 7.302 62.317 54.328 347 HG22 THR 45 HG22 THR 45 7.940 63.786 55.064 348 HG23 THR 45 HG23 THR 45 7.748 63.688 53.313 349 H ARG 46 H ARG 46 6.307 60.806 53.759 350 HA ARG 46 HA ARG 46 6.909 61.080 50.957 351 HE ARG 46 HE ARG 46 11.609 59.496 51.907 352 HB2 ARG 46 HB2 ARG 46 7.924 59.570 53.198 353 HB3 ARG 46 HB3 ARG 46 7.674 58.517 51.812 354 HG2 ARG 46 HG2 ARG 46 8.913 60.787 50.778 355 HG3 ARG 46 HG3 ARG 46 9.745 60.452 52.298 356 HD2 ARG 46 HD2 ARG 46 9.496 57.957 51.193 357 HD3 ARG 46 HD3 ARG 46 9.759 58.973 49.777 358 HH11 ARG 46 HH11 ARG 46 10.926 57.469 49.160 359 HH12 ARG 46 HH12 ARG 46 12.585 57.050 48.892 360 HH21 ARG 46 HH21 ARG 46 13.797 58.951 51.564 361 HH22 ARG 46 HH22 ARG 46 14.218 57.893 50.260 362 H ARG 47 H ARG 47 5.595 58.295 52.754 363 HA ARG 47 HA ARG 47 3.409 58.026 50.880 364 HE ARG 47 HE ARG 47 3.580 52.823 48.420 365 HB2 ARG 47 HB2 ARG 47 5.141 56.898 49.632 366 HB3 ARG 47 HB3 ARG 47 5.604 55.958 51.044 367 HG2 ARG 47 HG2 ARG 47 3.074 55.189 50.899 368 HG3 ARG 47 HG3 ARG 47 3.309 55.617 49.204 369 HD2 ARG 47 HD2 ARG 47 5.581 54.152 50.026 370 HD3 ARG 47 HD3 ARG 47 4.162 53.280 50.603 371 HH11 ARG 47 HH11 ARG 47 6.175 55.142 48.502 372 HH12 ARG 47 HH12 ARG 47 6.500 55.034 46.804 373 HH21 ARG 47 HH21 ARG 47 3.998 52.671 46.183 374 HH22 ARG 47 HH22 ARG 47 5.261 53.628 45.486 375 HA PRO 48 HA PRO 48 1.641 56.588 54.680 376 HB2 PRO 48 HB2 PRO 48 -0.779 55.887 53.669 377 HB3 PRO 48 HB3 PRO 48 -0.308 57.566 53.953 378 HG2 PRO 48 HG2 PRO 48 -0.295 56.001 51.402 379 HG3 PRO 48 HG3 PRO 48 -0.825 57.669 51.689 380 HD2 PRO 48 HD2 PRO 48 1.586 57.073 50.610 381 HD3 PRO 48 HD3 PRO 48 1.326 58.496 51.641 382 H ASP 49 H ASP 49 0.929 54.632 51.777 383 HA ASP 49 HA ASP 49 0.345 52.229 52.918 384 HB2 ASP 49 HB2 ASP 49 0.258 52.598 50.506 385 HB3 ASP 49 HB3 ASP 49 2.015 52.688 50.438 386 H GLU 50 H GLU 50 3.464 53.764 52.709 387 HA GLU 50 HA GLU 50 4.855 51.374 53.619 388 HB2 GLU 50 HB2 GLU 50 5.676 53.280 51.949 389 HB3 GLU 50 HB3 GLU 50 6.219 54.016 53.449 390 HG2 GLU 50 HG2 GLU 50 8.072 52.822 53.176 391 HG3 GLU 50 HG3 GLU 50 7.111 51.440 53.700 392 H PHE 51 H PHE 51 3.504 54.283 54.889 393 HA PHE 51 HA PHE 51 4.954 54.786 57.157 394 HD1 PHE 51 HD1 PHE 51 2.697 54.241 59.623 395 HD2 PHE 51 HD2 PHE 51 0.374 55.017 56.141 396 HE1 PHE 51 HE1 PHE 51 0.725 53.266 60.725 397 HE2 PHE 51 HE2 PHE 51 -1.602 54.044 57.239 398 HZ PHE 51 HZ PHE 51 -1.428 53.166 59.533 399 HB2 PHE 51 HB2 PHE 51 3.220 56.111 57.745 400 HB3 PHE 51 HB3 PHE 51 2.566 55.664 56.172 401 H THR 52 H THR 52 2.607 52.217 56.623 402 HA THR 52 HA THR 52 2.734 51.281 59.347 403 HB THR 52 HB THR 52 1.177 49.626 58.745 404 HG1 THR 52 HG1 THR 52 0.790 49.363 56.329 405 HG21 THR 52 HG21 THR 52 -0.309 51.289 58.555 406 HG22 THR 52 HG22 THR 52 -0.159 51.084 56.810 407 HG23 THR 52 HG23 THR 52 0.816 52.294 57.643 408 H ALA 53 H ALA 53 4.455 50.724 56.415 409 HA ALA 53 HA ALA 53 5.429 48.119 56.972 410 HB1 ALA 53 HB1 ALA 53 5.606 48.723 54.740 411 HB2 ALA 53 HB2 ALA 53 6.272 50.312 55.118 412 HB3 ALA 53 HB3 ALA 53 7.267 48.870 55.315 413 H ARG 54 H ARG 54 6.300 51.268 58.090 414 HA ARG 54 HA ARG 54 8.976 50.702 58.854 415 HE ARG 54 HE ARG 54 11.133 51.385 58.769 416 HB2 ARG 54 HB2 ARG 54 7.403 52.960 58.752 417 HB3 ARG 54 HB3 ARG 54 7.582 52.697 60.482 418 HG2 ARG 54 HG2 ARG 54 9.309 54.175 59.729 419 HG3 ARG 54 HG3 ARG 54 10.035 52.629 60.175 420 HD2 ARG 54 HD2 ARG 54 9.215 52.968 57.350 421 HD3 ARG 54 HD3 ARG 54 10.607 53.902 57.896 422 HH11 ARG 54 HH11 ARG 54 10.321 52.760 55.676 423 HH12 ARG 54 HH12 ARG 54 11.206 51.577 54.771 424 HH21 ARG 54 HH21 ARG 54 12.301 49.822 57.590 425 HH22 ARG 54 HH22 ARG 54 12.331 49.905 55.860 426 H LEU 55 H LEU 55 6.158 51.260 60.971 427 HA LEU 55 HA LEU 55 7.387 50.004 63.204 428 HG LEU 55 HG LEU 55 3.261 51.071 63.392 429 HB2 LEU 55 HB2 LEU 55 5.435 50.479 64.379 430 HB3 LEU 55 HB3 LEU 55 5.555 51.777 63.193 431 HD11 LEU 55 HD11 LEU 55 2.873 50.291 61.019 432 HD12 LEU 55 HD12 LEU 55 4.627 50.254 60.842 433 HD13 LEU 55 HD13 LEU 55 3.810 51.773 61.209 434 HD21 LEU 55 HD21 LEU 55 3.699 48.379 62.287 435 HD22 LEU 55 HD22 LEU 55 2.544 48.940 63.496 436 HD23 LEU 55 HD23 LEU 55 4.213 48.607 63.960 437 H GLN 56 H GLN 56 5.709 48.808 60.490 438 HA GLN 56 HA GLN 56 4.348 46.600 61.363 439 HB2 GLN 56 HB2 GLN 56 4.181 46.869 59.088 440 HB3 GLN 56 HB3 GLN 56 5.895 47.216 58.895 441 HG2 GLN 56 HG2 GLN 56 5.437 45.126 57.856 442 HG3 GLN 56 HG3 GLN 56 6.367 44.816 59.321 443 HE21 GLN 56 HE21 GLN 56 5.500 42.635 59.007 444 HE22 GLN 56 HE22 GLN 56 3.944 42.262 59.660 445 H GLN 57 H GLN 57 7.776 47.125 61.359 446 HA GLN 57 HA GLN 57 8.502 44.371 61.687 447 HB2 GLN 57 HB2 GLN 57 9.872 46.940 61.486 448 HB3 GLN 57 HB3 GLN 57 10.616 45.868 62.666 449 HG2 GLN 57 HG2 GLN 57 10.140 45.322 59.748 450 HG3 GLN 57 HG3 GLN 57 11.688 45.540 60.564 451 HE21 GLN 57 HE21 GLN 57 9.193 43.359 59.733 452 HE22 GLN 57 HE22 GLN 57 9.873 41.946 60.457 453 H SER 58 H SER 58 7.871 47.092 63.820 454 HA SER 58 HA SER 58 8.839 45.924 66.201 455 HG SER 58 HG SER 58 8.227 49.492 65.916 456 HB2 SER 58 HB2 SER 58 6.630 47.974 65.926 457 HB3 SER 58 HB3 SER 58 7.613 47.669 67.358 458 H THR 59 H THR 59 5.452 46.387 65.177 459 HA THR 59 HA THR 59 4.308 44.765 67.140 460 HB THR 59 HB THR 59 3.214 45.236 64.361 461 HG1 THR 59 HG1 THR 59 3.540 47.237 65.241 462 HG21 THR 59 HG21 THR 59 1.278 45.154 66.482 463 HG22 THR 59 HG22 THR 59 2.249 43.683 66.495 464 HG23 THR 59 HG23 THR 59 1.385 44.156 65.032 465 H ASP 60 H ASP 60 5.992 43.930 64.259 466 HA ASP 60 HA ASP 60 4.950 41.500 63.523 467 HB2 ASP 60 HB2 ASP 60 7.338 42.918 63.046 468 HB3 ASP 60 HB3 ASP 60 7.825 41.306 63.564 469 H ALA 61 H ALA 61 7.609 41.933 65.865 470 HA ALA 61 HA ALA 61 7.858 39.332 66.721 471 HB1 ALA 61 HB1 ALA 61 8.064 41.294 68.889 472 HB2 ALA 61 HB2 ALA 61 9.264 40.165 68.256 473 HB3 ALA 61 HB3 ALA 61 8.982 41.702 67.439 474 H LEU 62 H LEU 62 5.774 41.839 68.167 475 HA LEU 62 HA LEU 62 4.609 40.271 70.144 476 HG LEU 62 HG LEU 62 1.971 41.011 70.308 477 HB2 LEU 62 HB2 LEU 62 4.353 42.666 70.104 478 HB3 LEU 62 HB3 LEU 62 3.462 42.580 68.585 479 HD11 LEU 62 HD11 LEU 62 3.605 42.450 71.971 480 HD12 LEU 62 HD12 LEU 62 2.037 41.772 72.405 481 HD13 LEU 62 HD13 LEU 62 2.156 43.454 71.887 482 HD21 LEU 62 HD21 LEU 62 0.447 43.032 70.302 483 HD22 LEU 62 HD22 LEU 62 0.950 42.430 68.722 484 HD23 LEU 62 HD23 LEU 62 1.715 43.867 69.401 485 H TYR 63 H TYR 63 3.598 40.787 66.787 486 HA TYR 63 HA TYR 63 1.181 39.467 66.781 487 HD1 TYR 63 HD1 TYR 63 4.447 38.142 64.283 488 HD2 TYR 63 HD2 TYR 63 0.266 38.461 63.558 489 HE1 TYR 63 HE1 TYR 63 4.566 36.200 62.780 490 HE2 TYR 63 HE2 TYR 63 0.374 36.518 62.052 491 HH TYR 63 HH TYR 63 1.739 35.112 60.956 492 HB2 TYR 63 HB2 TYR 63 1.412 40.214 64.678 493 HB3 TYR 63 HB3 TYR 63 3.167 40.225 64.798 494 H SER 64 H SER 64 4.407 38.063 66.265 495 HA SER 64 HA SER 64 3.461 35.394 66.008 496 HG SER 64 HG SER 64 6.446 34.267 65.272 497 HB2 SER 64 HB2 SER 64 5.909 36.715 65.660 498 HB3 SER 64 HB3 SER 64 6.198 35.545 66.947 499 H HIS 65 H HIS 65 4.529 37.364 68.701 500 HA HIS 65 HA HIS 65 4.868 35.323 70.605 501 HD1 HIS 65 HD1 HIS 65 2.590 36.947 73.065 502 HD2 HIS 65 HD2 HIS 65 6.728 37.114 73.388 503 HE1 HIS 65 HE1 HIS 65 3.090 36.574 75.502 504 HB2 HIS 65 HB2 HIS 65 5.687 37.611 70.949 505 HB3 HIS 65 HB3 HIS 65 4.029 38.200 71.027 506 H LEU 66 H LEU 66 2.046 37.331 69.817 507 HA LEU 66 HA LEU 66 0.354 36.054 71.736 508 HG LEU 66 HG LEU 66 -2.156 36.358 70.867 509 HB2 LEU 66 HB2 LEU 66 -0.142 38.299 71.113 510 HB3 LEU 66 HB3 LEU 66 -0.199 37.874 69.404 511 HD11 LEU 66 HD11 LEU 66 -2.933 39.196 70.946 512 HD12 LEU 66 HD12 LEU 66 -1.772 38.684 72.169 513 HD13 LEU 66 HD13 LEU 66 -3.333 37.875 72.043 514 HD21 LEU 66 HD21 LEU 66 -1.896 37.984 68.460 515 HD22 LEU 66 HD22 LEU 66 -3.483 38.102 69.220 516 HD23 LEU 66 HD23 LEU 66 -2.847 36.526 68.749 517 H GLU 67 H GLU 67 0.737 35.830 68.215 518 HA GLU 67 HA GLU 67 -1.317 33.946 67.792 519 HB2 GLU 67 HB2 GLU 67 -0.075 35.391 66.069 520 HB3 GLU 67 HB3 GLU 67 1.168 34.149 66.104 521 HG2 GLU 67 HG2 GLU 67 -1.423 32.958 65.759 522 HG3 GLU 67 HG3 GLU 67 -1.147 34.206 64.545 523 H ALA 68 H ALA 68 2.072 33.618 68.645 524 HA ALA 68 HA ALA 68 2.039 30.740 68.360 525 HB1 ALA 68 HB1 ALA 68 4.327 30.787 68.884 526 HB2 ALA 68 HB2 ALA 68 4.046 32.247 67.936 527 HB3 ALA 68 HB3 ALA 68 4.197 32.350 69.690 528 H GLN 69 H GLN 69 2.637 32.957 71.096 529 HA GLN 69 HA GLN 69 2.540 31.037 73.109 530 HB2 GLN 69 HB2 GLN 69 3.346 33.380 73.375 531 HB3 GLN 69 HB3 GLN 69 1.674 33.924 73.337 532 HG2 GLN 69 HG2 GLN 69 2.097 33.846 75.590 533 HG3 GLN 69 HG3 GLN 69 1.359 32.270 75.308 534 HE21 GLN 69 HE21 GLN 69 4.401 33.955 75.770 535 HE22 GLN 69 HE22 GLN 69 5.291 32.584 76.332 536 H TRP 70 H TRP 70 -0.063 33.246 72.075 537 HA TRP 70 HA TRP 70 -2.062 32.158 73.704 538 HD1 TRP 70 HD1 TRP 70 -4.995 31.860 71.834 539 HE1 TRP 70 HE1 TRP 70 -7.021 32.803 73.111 540 HE3 TRP 70 HE3 TRP 70 -2.821 36.032 73.837 541 HZ2 TRP 70 HZ2 TRP 70 -7.618 35.022 74.751 542 HZ3 TRP 70 HZ3 TRP 70 -4.189 37.512 75.248 543 HH2 TRP 70 HH2 TRP 70 -6.538 37.016 75.694 544 HB2 TRP 70 HB2 TRP 70 -2.040 34.345 72.298 545 HB3 TRP 70 HB3 TRP 70 -2.670 33.328 71.005 546 H ALA 71 H ALA 71 -0.897 31.230 70.529 547 HA ALA 71 HA ALA 71 -2.931 29.578 69.654 548 HB1 ALA 71 HB1 ALA 71 -0.038 29.778 69.165 549 HB2 ALA 71 HB2 ALA 71 -0.764 28.216 68.785 550 HB3 ALA 71 HB3 ALA 71 -1.382 29.683 68.026 551 H LYS 72 H LYS 72 -0.238 28.789 71.827 552 HA LYS 72 HA LYS 72 -0.586 26.084 72.134 553 HB2 LYS 72 HB2 LYS 72 0.730 28.179 73.558 554 HB3 LYS 72 HB3 LYS 72 -0.093 27.153 74.726 555 HG2 LYS 72 HG2 LYS 72 2.040 26.233 74.521 556 HG3 LYS 72 HG3 LYS 72 1.011 25.192 73.534 557 HD2 LYS 72 HD2 LYS 72 2.936 25.575 72.233 558 HD3 LYS 72 HD3 LYS 72 1.702 26.646 71.562 559 HE2 LYS 72 HE2 LYS 72 3.472 28.092 71.704 560 HE3 LYS 72 HE3 LYS 72 2.719 28.358 73.276 561 HZ1 LYS 72 HZ1 LYS 72 4.307 26.874 74.278 562 HZ2 LYS 72 HZ2 LYS 72 5.136 28.071 73.416 563 HZ3 LYS 72 HZ3 LYS 72 4.992 26.513 72.775 564 H GLN 73 H GLN 73 -2.506 28.685 73.487 565 HA GLN 73 HA GLN 73 -3.918 27.329 75.449 566 HB2 GLN 73 HB2 GLN 73 -4.856 29.524 73.599 567 HB3 GLN 73 HB3 GLN 73 -5.734 28.990 75.025 568 HG2 GLN 73 HG2 GLN 73 -2.996 29.614 75.671 569 HG3 GLN 73 HG3 GLN 73 -3.792 30.974 74.882 570 HE21 GLN 73 HE21 GLN 73 -4.130 32.318 76.543 571 HE22 GLN 73 HE22 GLN 73 -5.046 31.932 77.956 572 H HIS 74 H HIS 74 -5.078 27.943 72.129 573 HA HIS 74 HA HIS 74 -6.358 25.303 72.159 574 HD1 HIS 74 HD1 HIS 74 -9.308 24.557 71.986 575 HD2 HIS 74 HD2 HIS 74 -8.482 27.755 74.507 576 HE1 HIS 74 HE1 HIS 74 -10.583 24.092 74.103 577 HB2 HIS 74 HB2 HIS 74 -7.682 27.949 71.869 578 HB3 HIS 74 HB3 HIS 74 -8.241 26.657 70.812 579 H GLY 75 H GLY 75 -5.777 28.170 70.111 580 HA2 GLY 75 HA2 GLY 75 -4.432 28.119 68.150 581 HA3 GLY 75 HA3 GLY 75 -4.681 26.382 68.059 582 H THR 76 H THR 76 -7.508 28.137 68.739 583 HA THR 76 HA THR 76 -8.466 27.643 66.016 584 HB THR 76 HB THR 76 -10.352 26.984 66.994 585 HG1 THR 76 HG1 THR 76 -11.626 28.641 67.271 586 HG21 THR 76 HG21 THR 76 -9.132 27.919 69.595 587 HG22 THR 76 HG22 THR 76 -8.960 26.315 68.883 588 HG23 THR 76 HG23 THR 76 -10.539 26.867 69.443 589 HA PRO 77 HA PRO 77 -9.783 32.234 66.732 590 HB2 PRO 77 HB2 PRO 77 -8.878 33.460 68.979 591 HB3 PRO 77 HB3 PRO 77 -10.405 32.570 68.918 592 HG2 PRO 77 HG2 PRO 77 -7.737 31.686 69.950 593 HG3 PRO 77 HG3 PRO 77 -9.346 31.441 70.653 594 HD2 PRO 77 HD2 PRO 77 -8.055 29.511 69.260 595 HD3 PRO 77 HD3 PRO 77 -9.822 29.668 69.259 596 HA PRO 78 HA PRO 78 -5.084 33.521 67.159 597 HB2 PRO 78 HB2 PRO 78 -3.381 31.408 67.067 598 HB3 PRO 78 HB3 PRO 78 -3.996 32.082 68.581 599 HG2 PRO 78 HG2 PRO 78 -4.924 29.673 67.064 600 HG3 PRO 78 HG3 PRO 78 -4.685 29.873 68.811 601 HD2 PRO 78 HD2 PRO 78 -7.128 30.003 67.649 602 HD3 PRO 78 HD3 PRO 78 -6.704 30.950 69.090 603 H THR 79 H THR 79 -5.103 34.329 65.130 604 HA THR 79 HA THR 79 -4.003 32.715 63.005 605 HB THR 79 HB THR 79 -6.635 34.042 62.410 606 HG1 THR 79 HG1 THR 79 -6.938 32.398 64.034 607 HG21 THR 79 HG21 THR 79 -6.013 33.474 60.342 608 HG22 THR 79 HG22 THR 79 -6.244 31.792 60.818 609 HG23 THR 79 HG23 THR 79 -4.647 32.534 60.941 610 H ALA 80 H ALA 80 -3.139 33.937 61.315 611 HA ALA 80 HA ALA 80 -1.980 36.324 61.816 612 HB1 ALA 80 HB1 ALA 80 -2.308 36.650 59.185 613 HB2 ALA 80 HB2 ALA 80 -1.181 35.480 59.871 614 HB3 ALA 80 HB3 ALA 80 -2.770 34.954 59.317 615 H SER 81 H SER 81 -5.303 35.806 60.924 616 HA SER 81 HA SER 81 -5.824 38.583 60.342 617 HG SER 81 HG SER 81 -8.457 38.286 59.037 618 HB2 SER 81 HB2 SER 81 -7.082 36.719 59.254 619 HB3 SER 81 HB3 SER 81 -7.804 36.342 60.817 620 H ASP 82 H ASP 82 -6.648 36.320 62.957 621 HA ASP 82 HA ASP 82 -8.071 38.130 64.554 622 HB2 ASP 82 HB2 ASP 82 -6.676 35.536 65.033 623 HB3 ASP 82 HB3 ASP 82 -7.154 36.493 66.433 624 H VAL 83 H VAL 83 -4.675 37.079 64.856 625 HA VAL 83 HA VAL 83 -3.837 38.597 66.952 626 HB VAL 83 HB VAL 83 -2.280 38.169 64.397 627 HG11 VAL 83 HG11 VAL 83 -0.548 38.153 66.568 628 HG12 VAL 83 HG12 VAL 83 -0.730 39.437 65.371 629 HG13 VAL 83 HG13 VAL 83 -1.637 39.503 66.882 630 HG21 VAL 83 HG21 VAL 83 -1.937 36.041 64.996 631 HG22 VAL 83 HG22 VAL 83 -1.663 36.474 66.684 632 HG23 VAL 83 HG23 VAL 83 -3.307 36.253 66.086 633 H VAL 84 H VAL 84 -4.804 39.725 63.833 634 HA VAL 84 HA VAL 84 -3.508 42.161 63.623 635 HB VAL 84 HB VAL 84 -6.372 41.568 62.861 636 HG11 VAL 84 HG11 VAL 84 -6.292 43.433 61.425 637 HG12 VAL 84 HG12 VAL 84 -5.637 43.999 62.963 638 HG13 VAL 84 HG13 VAL 84 -4.549 43.615 61.627 639 HG21 VAL 84 HG21 VAL 84 -5.646 40.538 60.987 640 HG22 VAL 84 HG22 VAL 84 -4.232 41.582 60.832 641 HG23 VAL 84 HG23 VAL 84 -4.211 40.231 61.965 642 H GLY 85 H GLY 85 -6.376 41.314 65.507 643 HA2 GLY 85 HA2 GLY 85 -6.077 43.876 66.933 644 HA3 GLY 85 HA3 GLY 85 -7.660 43.356 66.376 645 H MET 86 H MET 86 -6.094 40.597 67.165 646 HA MET 86 HA MET 86 -7.662 40.083 69.437 647 HB2 MET 86 HB2 MET 86 -6.861 38.256 68.100 648 HB3 MET 86 HB3 MET 86 -5.187 38.715 68.378 649 HG2 MET 86 HG2 MET 86 -5.087 37.574 70.279 650 HG3 MET 86 HG3 MET 86 -6.614 38.241 70.854 651 HE1 MET 86 HE1 MET 86 -4.757 35.288 70.156 652 HE2 MET 86 HE2 MET 86 -5.810 34.090 69.403 653 HE3 MET 86 HE3 MET 86 -5.095 35.374 68.427 654 HA PRO 87 HA PRO 87 -3.555 40.895 71.909 655 HB2 PRO 87 HB2 PRO 87 -1.733 42.480 70.668 656 HB3 PRO 87 HB3 PRO 87 -1.725 40.717 70.530 657 HG2 PRO 87 HG2 PRO 87 -2.799 42.762 68.625 658 HG3 PRO 87 HG3 PRO 87 -1.856 41.298 68.283 659 HD2 PRO 87 HD2 PRO 87 -4.543 41.407 67.964 660 HD3 PRO 87 HD3 PRO 87 -3.697 39.921 68.444 661 H GLN 88 H GLN 88 -2.535 42.987 72.833 662 HA GLN 88 HA GLN 88 -4.664 44.925 73.056 663 HB2 GLN 88 HB2 GLN 88 -3.202 45.951 74.788 664 HB3 GLN 88 HB3 GLN 88 -3.550 44.252 75.084 665 HG2 GLN 88 HG2 GLN 88 -1.238 44.101 73.655 666 HG3 GLN 88 HG3 GLN 88 -1.007 45.593 74.567 667 HE21 GLN 88 HE21 GLN 88 -1.144 42.175 74.683 668 HE22 GLN 88 HE22 GLN 88 -0.788 41.991 76.363 669 H TRP 89 H TRP 89 -1.414 44.766 71.727 670 HA TRP 89 HA TRP 89 -0.735 47.354 71.300 671 HD1 TRP 89 HD1 TRP 89 -0.892 43.346 68.795 672 HE1 TRP 89 HE1 TRP 89 -1.529 43.400 66.301 673 HE3 TRP 89 HE3 TRP 89 -0.096 48.308 67.861 674 HZ2 TRP 89 HZ2 TRP 89 -1.674 45.296 64.215 675 HZ3 TRP 89 HZ3 TRP 89 -0.506 49.162 65.590 676 HH2 TRP 89 HH2 TRP 89 -1.279 47.685 63.806 677 HB2 TRP 89 HB2 TRP 89 0.750 46.582 69.749 678 HB3 TRP 89 HB3 TRP 89 0.258 45.026 70.413 679 H GLN 90 H GLN 90 -3.162 45.518 69.521 680 HA GLN 90 HA GLN 90 -3.658 47.342 67.464 681 HB2 GLN 90 HB2 GLN 90 -4.607 45.202 67.223 682 HB3 GLN 90 HB3 GLN 90 -5.364 45.264 68.808 683 HG2 GLN 90 HG2 GLN 90 -7.122 45.535 67.307 684 HG3 GLN 90 HG3 GLN 90 -6.776 47.166 67.878 685 HE21 GLN 90 HE21 GLN 90 -8.052 47.534 65.827 686 HE22 GLN 90 HE22 GLN 90 -7.139 47.720 64.373 687 H GLU 91 H GLU 91 -5.097 47.079 70.694 688 HA GLU 91 HA GLU 91 -6.832 49.332 70.295 689 HB2 GLU 91 HB2 GLU 91 -7.007 47.268 71.952 690 HB3 GLU 91 HB3 GLU 91 -6.134 48.352 73.025 691 HG2 GLU 91 HG2 GLU 91 -8.055 49.287 73.577 692 HG3 GLU 91 HG3 GLU 91 -8.213 49.870 71.920 693 H TYR 92 H TYR 92 -3.838 48.750 72.115 694 HA TYR 92 HA TYR 92 -3.570 51.266 73.274 695 HD1 TYR 92 HD1 TYR 92 -2.962 51.183 75.272 696 HD2 TYR 92 HD2 TYR 92 -1.305 47.485 73.974 697 HE1 TYR 92 HE1 TYR 92 -3.364 50.226 77.502 698 HE2 TYR 92 HE2 TYR 92 -1.703 46.518 76.201 699 HH TYR 92 HH TYR 92 -1.946 47.696 78.700 700 HB2 TYR 92 HB2 TYR 92 -1.555 49.192 72.440 701 HB3 TYR 92 HB3 TYR 92 -1.054 50.707 73.182 702 H THR 93 H THR 93 -1.930 50.095 70.328 703 HA THR 93 HA THR 93 -0.677 52.339 69.481 704 HB THR 93 HB THR 93 -0.603 50.207 68.252 705 HG1 THR 93 HG1 THR 93 -0.666 51.201 66.128 706 HG21 THR 93 HG21 THR 93 -2.420 49.213 67.421 707 HG22 THR 93 HG22 THR 93 -2.886 50.668 66.542 708 HG23 THR 93 HG23 THR 93 -3.385 50.453 68.220 709 H ALA 94 H ALA 94 -4.122 51.731 69.395 710 HA ALA 94 HA ALA 94 -4.679 54.100 67.825 711 HB1 ALA 94 HB1 ALA 94 -6.374 52.735 67.298 712 HB2 ALA 94 HB2 ALA 94 -6.184 51.779 68.768 713 HB3 ALA 94 HB3 ALA 94 -7.094 53.289 68.811 714 H MET 95 H MET 95 -5.127 53.018 71.176 715 HA MET 95 HA MET 95 -6.526 55.064 72.282 716 HB2 MET 95 HB2 MET 95 -5.233 52.972 73.320 717 HB3 MET 95 HB3 MET 95 -4.089 54.228 73.771 718 HG2 MET 95 HG2 MET 95 -5.362 54.853 75.464 719 HG3 MET 95 HG3 MET 95 -6.747 55.077 74.398 720 HE1 MET 95 HE1 MET 95 -5.457 53.165 77.416 721 HE2 MET 95 HE2 MET 95 -5.810 51.475 77.054 722 HE3 MET 95 HE3 MET 95 -4.581 52.337 76.128 723 H LEU 96 H LEU 96 -3.013 55.056 71.718 724 HA LEU 96 HA LEU 96 -2.514 57.629 72.726 725 HG LEU 96 HG LEU 96 -1.776 54.988 70.372 726 HB2 LEU 96 HB2 LEU 96 -0.596 57.336 70.830 727 HB3 LEU 96 HB3 LEU 96 -0.512 56.672 72.460 728 HD11 LEU 96 HD11 LEU 96 0.588 54.148 69.840 729 HD12 LEU 96 HD12 LEU 96 1.129 55.720 70.429 730 HD13 LEU 96 HD13 LEU 96 0.034 55.624 69.050 731 HD21 LEU 96 HD21 LEU 96 -0.636 53.225 71.624 732 HD22 LEU 96 HD22 LEU 96 -1.617 54.236 72.685 733 HD23 LEU 96 HD23 LEU 96 0.133 54.443 72.642 734 H ARG 97 H ARG 97 -3.222 56.511 69.434 735 HA ARG 97 HA ARG 97 -2.880 58.845 68.022 736 HE ARG 97 HE ARG 97 -2.414 54.958 64.101 737 HB2 ARG 97 HB2 ARG 97 -5.003 56.724 67.669 738 HB3 ARG 97 HB3 ARG 97 -4.657 57.979 66.488 739 HG2 ARG 97 HG2 ARG 97 -2.428 57.124 66.164 740 HG3 ARG 97 HG3 ARG 97 -2.667 55.932 67.443 741 HD2 ARG 97 HD2 ARG 97 -3.600 54.515 66.008 742 HD3 ARG 97 HD3 ARG 97 -4.784 55.729 65.524 743 HH11 ARG 97 HH11 ARG 97 -4.708 57.521 64.643 744 HH12 ARG 97 HH12 ARG 97 -4.420 58.278 63.112 745 HH21 ARG 97 HH21 ARG 97 -2.026 55.946 62.082 746 HH22 ARG 97 HH22 ARG 97 -2.895 57.381 61.656 747 H GLU 98 H GLU 98 -5.976 57.737 69.414 748 HA GLU 98 HA GLU 98 -7.193 60.306 69.026 749 HB2 GLU 98 HB2 GLU 98 -8.559 58.311 68.873 750 HB3 GLU 98 HB3 GLU 98 -8.127 57.849 70.515 751 HG2 GLU 98 HG2 GLU 98 -10.185 58.753 70.872 752 HG3 GLU 98 HG3 GLU 98 -9.173 60.176 71.110 753 H ARG 99 H ARG 99 -6.367 58.395 71.922 754 HA ARG 99 HA ARG 99 -6.962 60.415 73.782 755 HE ARG 99 HE ARG 99 -6.510 56.635 76.662 756 HB2 ARG 99 HB2 ARG 99 -6.498 57.860 74.104 757 HB3 ARG 99 HB3 ARG 99 -4.829 58.377 74.302 758 HG2 ARG 99 HG2 ARG 99 -5.360 58.588 76.458 759 HG3 ARG 99 HG3 ARG 99 -6.143 60.091 75.965 760 HD2 ARG 99 HD2 ARG 99 -7.815 59.024 77.158 761 HD3 ARG 99 HD3 ARG 99 -8.193 58.581 75.494 762 HH11 ARG 99 HH11 ARG 99 -9.788 57.806 76.732 763 HH12 ARG 99 HH12 ARG 99 -10.461 56.281 77.205 764 HH21 ARG 99 HH21 ARG 99 -7.384 54.623 77.285 765 HH22 ARG 99 HH22 ARG 99 -9.092 54.471 77.520 766 H PHE 100 H PHE 100 -3.763 59.306 72.647 767 HA PHE 100 HA PHE 100 -1.747 60.351 72.530 768 HD1 PHE 100 HD1 PHE 100 -1.393 60.563 70.118 769 HD2 PHE 100 HD2 PHE 100 -1.181 64.412 71.923 770 HE1 PHE 100 HE1 PHE 100 0.661 61.040 68.851 771 HE2 PHE 100 HE2 PHE 100 0.874 64.896 70.657 772 HZ PHE 100 HZ PHE 100 1.797 63.210 69.119 773 HB2 PHE 100 HB2 PHE 100 -3.456 61.917 71.169 774 HB3 PHE 100 HB3 PHE 100 -2.958 63.057 72.414 775 H ALA 101 H ALA 101 -2.483 59.771 75.081 776 HA ALA 101 HA ALA 101 -1.446 62.084 76.582 777 HB1 ALA 101 HB1 ALA 101 -3.041 61.953 78.179 778 HB2 ALA 101 HB2 ALA 101 -3.981 61.263 76.855 779 HB3 ALA 101 HB3 ALA 101 -3.201 60.203 78.030 780 H GLY 102 H GLY 102 0.577 61.562 77.125 781 HA2 GLY 102 HA2 GLY 102 1.796 60.279 78.866 782 HA3 GLY 102 HA3 GLY 102 1.055 58.842 78.178 783 H LEU 103 H LEU 103 1.399 59.333 75.468 784 HA LEU 103 HA LEU 103 3.923 58.332 74.971 785 HG LEU 103 HG LEU 103 1.241 60.475 73.953 786 HB2 LEU 103 HB2 LEU 103 3.530 59.282 72.614 787 HB3 LEU 103 HB3 LEU 103 2.412 58.072 73.240 788 HD11 LEU 103 HD11 LEU 103 2.592 60.712 71.282 789 HD12 LEU 103 HD12 LEU 103 2.616 61.847 72.632 790 HD13 LEU 103 HD13 LEU 103 1.140 61.625 71.694 791 HD21 LEU 103 HD21 LEU 103 -0.038 59.811 71.652 792 HD22 LEU 103 HD22 LEU 103 -0.304 59.025 73.209 793 HD23 LEU 103 HD23 LEU 103 0.793 58.301 72.031 794 H ASP 104 H ASP 104 5.781 59.258 75.538 795 HA ASP 104 HA ASP 104 6.475 61.833 74.424 796 HB2 ASP 104 HB2 ASP 104 5.958 61.436 77.323 797 HB3 ASP 104 HB3 ASP 104 7.375 62.388 76.888 798 H THR 105 H THR 105 8.758 62.296 74.579 799 HA THR 105 HA THR 105 10.334 59.858 74.551 800 HB THR 105 HB THR 105 10.683 61.390 72.714 801 HG1 THR 105 HG1 THR 105 12.675 60.711 72.867 802 HG21 THR 105 HG21 THR 105 10.540 63.373 74.771 803 HG22 THR 105 HG22 THR 105 10.545 63.592 73.022 804 HG23 THR 105 HG23 THR 105 12.068 63.545 73.908 805 H ILE 106 H ILE 106 10.859 59.187 76.559 806 HA ILE 106 HA ILE 106 12.509 60.991 78.169 807 HB ILE 106 HB ILE 106 11.416 60.249 80.248 808 HG12 ILE 106 HG12 ILE 106 10.494 58.124 79.375 809 HG13 ILE 106 HG13 ILE 106 9.269 59.099 80.181 810 HG21 ILE 106 HG21 ILE 106 10.157 62.077 80.136 811 HG22 ILE 106 HG22 ILE 106 10.504 62.133 78.408 812 HG23 ILE 106 HG23 ILE 106 9.053 61.316 78.990 813 HD11 ILE 106 HD11 ILE 106 8.032 58.715 78.377 814 HD12 ILE 106 HD12 ILE 106 9.056 59.906 77.575 815 HD13 ILE 106 HD13 ILE 106 9.421 58.187 77.428 Start of MODEL 10 1 H LYS 1 H LYS 1 32.131 73.325 61.163 2 HA LYS 1 HA LYS 1 33.339 71.636 59.421 3 HB2 LYS 1 HB2 LYS 1 34.882 73.515 58.844 4 HB3 LYS 1 HB3 LYS 1 33.189 73.983 58.932 5 HG2 LYS 1 HG2 LYS 1 33.487 75.207 60.860 6 HG3 LYS 1 HG3 LYS 1 34.940 74.318 61.324 7 HD2 LYS 1 HD2 LYS 1 36.021 75.353 59.253 8 HD3 LYS 1 HD3 LYS 1 34.635 76.446 59.224 9 HE2 LYS 1 HE2 LYS 1 35.189 77.023 61.615 10 HE3 LYS 1 HE3 LYS 1 36.690 76.123 61.402 11 HZ1 LYS 1 HZ1 LYS 1 37.569 77.719 60.093 12 HZ2 LYS 1 HZ2 LYS 1 36.495 78.714 60.941 13 HZ3 LYS 1 HZ3 LYS 1 36.087 78.150 59.400 14 H GLN 2 H GLN 2 34.463 72.488 62.584 15 HA GLN 2 HA GLN 2 37.064 71.236 62.104 16 HB2 GLN 2 HB2 GLN 2 35.981 73.132 64.102 17 HB3 GLN 2 HB3 GLN 2 37.173 71.984 64.696 18 HG2 GLN 2 HG2 GLN 2 37.723 73.550 62.218 19 HG3 GLN 2 HG3 GLN 2 37.930 74.296 63.801 20 HE21 GLN 2 HE21 GLN 2 39.715 73.867 64.947 21 HE22 GLN 2 HE22 GLN 2 40.947 72.752 64.474 22 H GLN 3 H GLN 3 34.328 71.013 64.370 23 HA GLN 3 HA GLN 3 35.227 68.312 65.095 24 HB2 GLN 3 HB2 GLN 3 33.242 70.119 66.485 25 HB3 GLN 3 HB3 GLN 3 33.752 68.534 67.049 26 HG2 GLN 3 HG2 GLN 3 35.971 69.304 67.442 27 HG3 GLN 3 HG3 GLN 3 35.633 70.844 66.654 28 HE21 GLN 3 HE21 GLN 3 35.824 69.245 69.566 29 HE22 GLN 3 HE22 GLN 3 34.988 70.387 70.557 30 H LEU 4 H LEU 4 33.861 66.550 64.948 31 HA LEU 4 HA LEU 4 31.521 66.945 63.216 32 HG LEU 4 HG LEU 4 32.644 66.049 61.169 33 HB2 LEU 4 HB2 LEU 4 33.662 65.071 63.217 34 HB3 LEU 4 HB3 LEU 4 32.159 64.197 63.499 35 HD11 LEU 4 HD11 LEU 4 33.919 63.713 61.475 36 HD12 LEU 4 HD12 LEU 4 33.377 64.322 59.911 37 HD13 LEU 4 HD13 LEU 4 32.407 63.133 60.778 38 HD21 LEU 4 HD21 LEU 4 30.621 65.063 60.266 39 HD22 LEU 4 HD22 LEU 4 30.292 65.792 61.839 40 HD23 LEU 4 HD23 LEU 4 30.454 64.042 61.695 41 H GLN 5 H GLN 5 29.520 66.221 63.787 42 HA GLN 5 HA GLN 5 29.206 65.391 66.580 43 HB2 GLN 5 HB2 GLN 5 27.525 66.878 64.636 44 HB3 GLN 5 HB3 GLN 5 26.684 65.869 65.805 45 HG2 GLN 5 HG2 GLN 5 26.968 67.373 67.400 46 HG3 GLN 5 HG3 GLN 5 28.706 67.420 67.118 47 HE21 GLN 5 HE21 GLN 5 29.511 69.277 66.462 48 HE22 GLN 5 HE22 GLN 5 28.634 70.556 65.703 49 H GLU 6 H GLU 6 27.735 63.697 67.139 50 HA GLU 6 HA GLU 6 27.854 61.492 65.268 51 HB2 GLU 6 HB2 GLU 6 27.236 61.813 68.161 52 HB3 GLU 6 HB3 GLU 6 26.551 60.420 67.335 53 HG2 GLU 6 HG2 GLU 6 29.068 60.204 66.487 54 HG3 GLU 6 HG3 GLU 6 29.360 61.035 68.013 55 H HIS 7 H HIS 7 26.369 61.505 63.698 56 HA HIS 7 HA HIS 7 23.770 62.631 63.982 57 HD1 HIS 7 HD1 HIS 7 27.042 60.887 62.130 58 HD2 HIS 7 HD2 HIS 7 23.515 59.174 60.755 59 HE1 HIS 7 HE1 HIS 7 27.716 58.694 61.099 60 HB2 HIS 7 HB2 HIS 7 23.350 61.695 61.746 61 HB3 HIS 7 HB3 HIS 7 24.892 62.544 61.810 62 H ALA 8 H ALA 8 24.897 59.265 63.647 63 HA ALA 8 HA ALA 8 22.440 57.998 63.907 64 HB1 ALA 8 HB1 ALA 8 24.235 56.665 63.219 65 HB2 ALA 8 HB2 ALA 8 25.230 57.133 64.599 66 HB3 ALA 8 HB3 ALA 8 23.843 56.069 64.832 67 HA PRO 9 HA PRO 9 21.540 59.211 68.134 68 HB2 PRO 9 HB2 PRO 9 19.026 58.188 68.141 69 HB3 PRO 9 HB3 PRO 9 19.431 59.738 67.393 70 HG2 PRO 9 HG2 PRO 9 19.067 57.056 66.115 71 HG3 PRO 9 HG3 PRO 9 18.490 58.642 65.571 72 HD2 PRO 9 HD2 PRO 9 20.690 57.455 64.529 73 HD3 PRO 9 HD3 PRO 9 20.535 59.217 64.676 74 H SER 10 H SER 10 22.233 58.089 69.833 75 HA SER 10 HA SER 10 21.689 55.194 69.930 76 HG SER 10 HG SER 10 23.273 53.929 70.018 77 HB2 SER 10 HB2 SER 10 24.206 56.568 70.004 78 HB3 SER 10 HB3 SER 10 23.942 55.770 71.555 79 H HIS 11 H HIS 11 20.363 54.671 71.524 80 HA HIS 11 HA HIS 11 19.294 54.630 73.532 81 HD1 HIS 11 HD1 HIS 11 21.557 55.574 77.311 82 HD2 HIS 11 HD2 HIS 11 19.237 53.029 74.988 83 HE1 HIS 11 HE1 HIS 11 20.544 53.931 78.923 84 HB2 HIS 11 HB2 HIS 11 21.908 54.963 74.183 85 HB3 HIS 11 HB3 HIS 11 21.210 56.404 74.915 86 H ALA 12 H ALA 12 18.527 56.572 71.672 87 HA ALA 12 HA ALA 12 18.048 59.009 73.214 88 HB1 ALA 12 HB1 ALA 12 17.716 60.099 71.246 89 HB2 ALA 12 HB2 ALA 12 18.728 58.781 70.656 90 HB3 ALA 12 HB3 ALA 12 16.976 58.701 70.467 91 H ASN 13 H ASN 13 15.832 59.955 73.125 92 HA ASN 13 HA ASN 13 13.951 58.138 74.194 93 HB2 ASN 13 HB2 ASN 13 13.763 61.014 73.312 94 HB3 ASN 13 HB3 ASN 13 12.367 60.143 73.939 95 HD21 ASN 13 HD21 ASN 13 12.741 62.127 75.412 96 HD22 ASN 13 HD22 ASN 13 13.649 61.811 76.848 97 H LEU 14 H LEU 14 14.191 59.755 71.048 98 HA LEU 14 HA LEU 14 11.780 58.591 70.036 99 HG LEU 14 HG LEU 14 15.115 59.769 69.219 100 HB2 LEU 14 HB2 LEU 14 12.565 59.478 67.858 101 HB3 LEU 14 HB3 LEU 14 12.500 60.685 69.141 102 HD11 LEU 14 HD11 LEU 14 14.016 59.587 66.479 103 HD12 LEU 14 HD12 LEU 14 15.354 58.717 67.229 104 HD13 LEU 14 HD13 LEU 14 15.586 60.371 66.664 105 HD21 LEU 14 HD21 LEU 14 14.376 62.149 67.582 106 HD22 LEU 14 HD22 LEU 14 15.644 61.962 68.793 107 HD23 LEU 14 HD23 LEU 14 13.961 62.119 69.296 108 H ASP 15 H ASP 15 15.208 57.823 69.862 109 HA ASP 15 HA ASP 15 15.061 55.832 67.878 110 HB2 ASP 15 HB2 ASP 15 17.209 56.697 68.418 111 HB3 ASP 15 HB3 ASP 15 17.012 56.316 70.125 112 H VAL 16 H VAL 16 14.329 53.808 67.911 113 HA VAL 16 HA VAL 16 14.134 52.361 70.439 114 HB VAL 16 HB VAL 16 11.764 52.811 68.620 115 HG11 VAL 16 HG11 VAL 16 12.364 50.511 70.036 116 HG12 VAL 16 HG12 VAL 16 11.256 51.385 71.095 117 HG13 VAL 16 HG13 VAL 16 10.774 50.992 69.444 118 HG21 VAL 16 HG21 VAL 16 11.918 53.401 71.558 119 HG22 VAL 16 HG22 VAL 16 12.453 54.576 70.355 120 HG23 VAL 16 HG23 VAL 16 10.779 54.019 70.361 121 H LYS 17 H LYS 17 14.505 50.223 70.232 122 HA LYS 17 HA LYS 17 15.161 49.235 67.571 123 HB2 LYS 17 HB2 LYS 17 15.487 47.678 70.119 124 HB3 LYS 17 HB3 LYS 17 16.403 47.546 68.623 125 HG2 LYS 17 HG2 LYS 17 17.778 49.271 69.147 126 HG3 LYS 17 HG3 LYS 17 16.539 50.127 70.067 127 HD2 LYS 17 HD2 LYS 17 16.923 48.888 71.983 128 HD3 LYS 17 HD3 LYS 17 17.628 47.538 71.093 129 HE2 LYS 17 HE2 LYS 17 19.035 50.147 70.968 130 HE3 LYS 17 HE3 LYS 17 19.100 49.263 72.491 131 HZ1 LYS 17 HZ1 LYS 17 19.977 47.351 71.308 132 HZ2 LYS 17 HZ2 LYS 17 20.960 48.703 71.052 133 HZ3 LYS 17 HZ3 LYS 17 19.899 48.188 69.840 134 H TRP 18 H TRP 18 14.688 46.711 67.409 135 HA TRP 18 HA TRP 18 11.996 46.401 66.885 136 HD1 TRP 18 HD1 TRP 18 13.630 46.724 64.907 137 HE1 TRP 18 HE1 TRP 18 15.783 46.474 63.517 138 HE3 TRP 18 HE3 TRP 18 15.510 42.492 67.074 139 HZ2 TRP 18 HZ2 TRP 18 17.985 44.714 63.360 140 HZ3 TRP 18 HZ3 TRP 18 17.644 41.591 66.246 141 HH2 TRP 18 HH2 TRP 18 18.854 42.679 64.426 142 HB2 TRP 18 HB2 TRP 18 13.671 44.039 67.680 143 HB3 TRP 18 HB3 TRP 18 12.450 44.157 66.416 144 H LEU 19 H LEU 19 10.562 44.664 67.899 145 HA LEU 19 HA LEU 19 9.970 45.433 70.556 146 HG LEU 19 HG LEU 19 7.684 45.770 69.339 147 HB2 LEU 19 HB2 LEU 19 8.819 43.746 68.506 148 HB3 LEU 19 HB3 LEU 19 8.662 43.019 70.104 149 HD11 LEU 19 HD11 LEU 19 6.229 44.352 68.235 150 HD12 LEU 19 HD12 LEU 19 5.439 44.566 69.797 151 HD13 LEU 19 HD13 LEU 19 6.354 43.095 69.467 152 HD21 LEU 19 HD21 LEU 19 6.806 45.961 71.484 153 HD22 LEU 19 HD22 LEU 19 8.399 45.256 71.760 154 HD23 LEU 19 HD23 LEU 19 6.962 44.234 71.809 155 H ASP 20 H ASP 20 12.373 43.475 69.444 156 HA ASP 20 HA ASP 20 12.407 41.220 71.028 157 HB2 ASP 20 HB2 ASP 20 14.705 42.977 70.155 158 HB3 ASP 20 HB3 ASP 20 14.913 41.396 70.902 159 H GLY 21 H GLY 21 13.678 44.447 71.841 160 HA2 GLY 21 HA2 GLY 21 12.893 44.372 74.522 161 HA3 GLY 21 HA3 GLY 21 14.543 43.774 74.442 162 H LEU 22 H LEU 22 13.571 46.176 75.740 163 HA LEU 22 HA LEU 22 15.479 48.027 74.612 164 HG LEU 22 HG LEU 22 14.923 48.929 72.725 165 HB2 LEU 22 HB2 LEU 22 12.574 48.374 74.316 166 HB3 LEU 22 HB3 LEU 22 13.438 49.783 74.927 167 HD11 LEU 22 HD11 LEU 22 12.671 47.623 72.321 168 HD12 LEU 22 HD12 LEU 22 13.526 48.412 70.997 169 HD13 LEU 22 HD13 LEU 22 12.132 49.198 71.738 170 HD21 LEU 22 HD21 LEU 22 14.860 51.174 72.838 171 HD22 LEU 22 HD22 LEU 22 13.227 51.199 73.505 172 HD23 LEU 22 HD23 LEU 22 13.467 51.004 71.768 173 H ARG 23 H ARG 23 16.475 49.107 76.195 174 HA ARG 23 HA ARG 23 15.386 48.890 78.900 175 HE ARG 23 HE ARG 23 20.826 50.622 80.130 176 HB2 ARG 23 HB2 ARG 23 17.661 48.119 78.639 177 HB3 ARG 23 HB3 ARG 23 18.133 49.639 77.890 178 HG2 ARG 23 HG2 ARG 23 16.958 50.030 80.512 179 HG3 ARG 23 HG3 ARG 23 18.373 48.975 80.555 180 HD2 ARG 23 HD2 ARG 23 19.014 51.102 78.830 181 HD3 ARG 23 HD3 ARG 23 18.239 51.821 80.240 182 HH11 ARG 23 HH11 ARG 23 18.091 51.217 82.198 183 HH12 ARG 23 HH12 ARG 23 19.016 51.153 83.661 184 HH21 ARG 23 HH21 ARG 23 22.057 50.535 82.049 185 HH22 ARG 23 HH22 ARG 23 21.273 50.766 83.574 186 H ALA 24 H ALA 24 16.720 51.327 76.687 187 HA ALA 24 HA ALA 24 16.439 53.569 78.307 188 HB1 ALA 24 HB1 ALA 24 16.989 53.039 75.553 189 HB2 ALA 24 HB2 ALA 24 15.852 54.382 75.675 190 HB3 ALA 24 HB3 ALA 24 17.400 54.458 76.517 191 H GLY 25 H GLY 25 14.795 54.940 78.807 192 HA2 GLY 25 HA2 GLY 25 12.584 55.383 79.347 193 HA3 GLY 25 HA3 GLY 25 12.455 55.497 77.598 194 H SER 26 H SER 26 10.360 54.723 77.503 195 HA SER 26 HA SER 26 8.735 53.147 77.272 196 HG SER 26 HG SER 26 9.904 50.886 75.218 197 HB2 SER 26 HB2 SER 26 11.160 51.806 76.689 198 HB3 SER 26 HB3 SER 26 10.203 50.715 77.691 199 H MET 27 H MET 27 9.201 54.237 79.825 200 HA MET 27 HA MET 27 8.923 52.021 81.700 201 HB2 MET 27 HB2 MET 27 9.207 55.002 82.060 202 HB3 MET 27 HB3 MET 27 8.846 53.919 83.399 203 HG2 MET 27 HG2 MET 27 11.008 53.562 83.654 204 HG3 MET 27 HG3 MET 27 11.052 52.814 82.059 205 HE1 MET 27 HE1 MET 27 11.847 56.439 83.942 206 HE2 MET 27 HE2 MET 27 11.391 57.343 82.497 207 HE3 MET 27 HE3 MET 27 10.226 56.266 83.267 208 H ALA 28 H ALA 28 7.178 55.089 81.156 209 HA ALA 28 HA ALA 28 4.787 54.035 82.366 210 HB1 ALA 28 HB1 ALA 28 4.007 56.173 82.376 211 HB2 ALA 28 HB2 ALA 28 5.733 56.508 82.256 212 HB3 ALA 28 HB3 ALA 28 4.722 56.562 80.812 213 H LEU 29 H LEU 29 5.332 55.503 79.158 214 HA LEU 29 HA LEU 29 3.105 53.942 78.103 215 HG LEU 29 HG LEU 29 1.933 54.961 76.255 216 HB2 LEU 29 HB2 LEU 29 4.108 56.518 77.621 217 HB3 LEU 29 HB3 LEU 29 4.412 55.596 76.151 218 HD11 LEU 29 HD11 LEU 29 2.032 56.200 78.689 219 HD12 LEU 29 HD12 LEU 29 0.564 55.877 77.766 220 HD13 LEU 29 HD13 LEU 29 1.344 57.455 77.657 221 HD21 LEU 29 HD21 LEU 29 3.121 57.585 75.528 222 HD22 LEU 29 HD22 LEU 29 1.366 57.422 75.468 223 HD23 LEU 29 HD23 LEU 29 2.385 56.351 74.505 224 H GLN 30 H GLN 30 3.537 53.334 75.641 225 HA GLN 30 HA GLN 30 5.827 51.519 75.712 226 HB2 GLN 30 HB2 GLN 30 3.160 51.454 74.543 227 HB3 GLN 30 HB3 GLN 30 4.403 50.980 73.394 228 HG2 GLN 30 HG2 GLN 30 3.408 49.091 74.648 229 HG3 GLN 30 HG3 GLN 30 5.158 49.227 74.820 230 HE21 GLN 30 HE21 GLN 30 4.806 47.877 76.708 231 HE22 GLN 30 HE22 GLN 30 4.360 48.619 78.203 232 H GLY 31 H GLY 31 7.654 52.223 74.832 233 HA2 GLY 31 HA2 GLY 31 7.746 54.404 72.989 234 HA3 GLY 31 HA3 GLY 31 9.106 53.412 73.493 235 H ASP 32 H ASP 32 7.409 51.006 72.616 236 HA ASP 32 HA ASP 32 8.602 50.675 70.085 237 HB2 ASP 32 HB2 ASP 32 6.999 48.687 69.933 238 HB3 ASP 32 HB3 ASP 32 8.130 48.698 71.284 239 H VAL 33 H VAL 33 5.207 51.249 70.994 240 HA VAL 33 HA VAL 33 4.440 51.623 68.230 241 HB VAL 33 HB VAL 33 2.194 52.039 69.095 242 HG11 VAL 33 HG11 VAL 33 2.560 49.768 68.768 243 HG12 VAL 33 HG12 VAL 33 3.700 49.657 70.111 244 HG13 VAL 33 HG13 VAL 33 1.974 49.839 70.430 245 HG21 VAL 33 HG21 VAL 33 2.639 53.276 71.085 246 HG22 VAL 33 HG22 VAL 33 1.804 51.797 71.561 247 HG23 VAL 33 HG23 VAL 33 3.547 51.938 71.786 248 H LYS 34 H LYS 34 5.043 53.608 71.068 249 HA LYS 34 HA LYS 34 3.976 56.020 70.447 250 HB2 LYS 34 HB2 LYS 34 5.204 55.815 72.467 251 HB3 LYS 34 HB3 LYS 34 6.677 55.374 71.615 252 HG2 LYS 34 HG2 LYS 34 6.511 57.728 70.574 253 HG3 LYS 34 HG3 LYS 34 5.400 58.061 71.905 254 HD2 LYS 34 HD2 LYS 34 7.062 58.173 73.399 255 HD3 LYS 34 HD3 LYS 34 7.841 56.722 72.765 256 HE2 LYS 34 HE2 LYS 34 8.057 59.515 71.646 257 HE3 LYS 34 HE3 LYS 34 9.310 58.637 72.524 258 HZ1 LYS 34 HZ1 LYS 34 8.589 56.979 70.461 259 HZ2 LYS 34 HZ2 LYS 34 9.995 57.914 70.557 260 HZ3 LYS 34 HZ3 LYS 34 8.630 58.518 69.762 261 H VAL 35 H VAL 35 6.668 54.464 68.858 262 HA VAL 35 HA VAL 35 7.280 56.832 67.280 263 HB VAL 35 HB VAL 35 9.168 55.712 66.475 264 HG11 VAL 35 HG11 VAL 35 8.567 54.930 69.307 265 HG12 VAL 35 HG12 VAL 35 10.100 54.499 68.544 266 HG13 VAL 35 HG13 VAL 35 9.640 56.194 68.706 267 HG21 VAL 35 HG21 VAL 35 7.948 53.102 67.376 268 HG22 VAL 35 HG22 VAL 35 8.006 53.688 65.713 269 HG23 VAL 35 HG23 VAL 35 9.501 53.303 66.566 270 H TRP 36 H TRP 36 5.499 53.875 67.028 271 HA TRP 36 HA TRP 36 5.395 53.330 64.359 272 HD1 TRP 36 HD1 TRP 36 2.141 54.490 67.383 273 HE1 TRP 36 HE1 TRP 36 -0.237 55.041 66.565 274 HE3 TRP 36 HE3 TRP 36 2.234 52.037 62.898 275 HZ2 TRP 36 HZ2 TRP 36 -1.858 54.505 64.318 276 HZ3 TRP 36 HZ3 TRP 36 0.229 52.105 61.475 277 HH2 TRP 36 HH2 TRP 36 -1.774 53.314 62.171 278 HB2 TRP 36 HB2 TRP 36 3.709 51.972 64.951 279 HB3 TRP 36 HB3 TRP 36 3.904 52.608 66.583 280 H MET 37 H MET 37 4.308 56.184 65.923 281 HA MET 37 HA MET 37 2.585 56.996 63.732 282 HB2 MET 37 HB2 MET 37 2.719 57.628 66.445 283 HB3 MET 37 HB3 MET 37 3.252 59.091 65.628 284 HG2 MET 37 HG2 MET 37 1.221 59.502 64.732 285 HG3 MET 37 HG3 MET 37 0.831 57.792 64.554 286 HE1 MET 37 HE1 MET 37 1.252 57.238 68.354 287 HE2 MET 37 HE2 MET 37 -0.264 56.549 67.774 288 HE3 MET 37 HE3 MET 37 1.189 56.440 66.781 289 H GLN 38 H GLN 38 5.409 58.473 65.344 290 HA GLN 38 HA GLN 38 5.970 60.391 63.438 291 HB2 GLN 38 HB2 GLN 38 8.110 60.605 64.427 292 HB3 GLN 38 HB3 GLN 38 7.035 60.099 65.723 293 HG2 GLN 38 HG2 GLN 38 8.079 58.132 66.006 294 HG3 GLN 38 HG3 GLN 38 8.380 57.921 64.282 295 HE21 GLN 38 HE21 GLN 38 10.183 58.975 63.344 296 HE22 GLN 38 HE22 GLN 38 11.540 59.435 64.310 297 H ASN 39 H ASN 39 6.570 56.975 63.354 298 HA ASN 39 HA ASN 39 8.571 56.918 61.372 299 HB2 ASN 39 HB2 ASN 39 6.714 54.985 62.602 300 HB3 ASN 39 HB3 ASN 39 7.235 54.576 60.970 301 HD21 ASN 39 HD21 ASN 39 7.841 53.207 63.423 302 HD22 ASN 39 HD22 ASN 39 9.560 53.226 63.595 303 H LEU 40 H LEU 40 5.050 56.425 61.082 304 HA LEU 40 HA LEU 40 5.187 56.590 58.201 305 HG LEU 40 HG LEU 40 3.324 55.664 61.275 306 HB2 LEU 40 HB2 LEU 40 2.522 56.786 59.275 307 HB3 LEU 40 HB3 LEU 40 3.235 55.534 58.262 308 HD11 LEU 40 HD11 LEU 40 1.838 53.818 61.253 309 HD12 LEU 40 HD12 LEU 40 1.972 53.644 59.503 310 HD13 LEU 40 HD13 LEU 40 1.145 55.043 60.189 311 HD21 LEU 40 HD21 LEU 40 4.775 54.019 59.282 312 HD22 LEU 40 HD22 LEU 40 4.157 53.200 60.716 313 HD23 LEU 40 HD23 LEU 40 5.270 54.557 60.888 314 H GLU 41 H GLU 41 4.759 58.751 60.812 315 HA GLU 41 HA GLU 41 3.083 60.709 59.964 316 HB2 GLU 41 HB2 GLU 41 4.632 60.624 62.034 317 HB3 GLU 41 HB3 GLU 41 5.802 61.446 61.010 318 HG2 GLU 41 HG2 GLU 41 3.338 62.815 60.766 319 HG3 GLU 41 HG3 GLU 41 3.640 62.543 62.482 320 H ASP 42 H ASP 42 6.019 59.738 58.462 321 HA ASP 42 HA ASP 42 6.376 62.158 56.936 322 HB2 ASP 42 HB2 ASP 42 8.042 60.094 57.635 323 HB3 ASP 42 HB3 ASP 42 7.700 59.732 55.945 324 H LEU 43 H LEU 43 5.517 58.795 56.114 325 HA LEU 43 HA LEU 43 4.739 59.477 53.450 326 HG LEU 43 HG LEU 43 3.260 56.552 52.712 327 HB2 LEU 43 HB2 LEU 43 5.548 57.209 54.441 328 HB3 LEU 43 HB3 LEU 43 3.846 56.988 54.846 329 HD11 LEU 43 HD11 LEU 43 4.356 57.599 50.736 330 HD12 LEU 43 HD12 LEU 43 5.383 58.506 51.847 331 HD13 LEU 43 HD13 LEU 43 3.637 58.754 51.860 332 HD21 LEU 43 HD21 LEU 43 6.040 56.125 51.856 333 HD22 LEU 43 HD22 LEU 43 4.682 55.001 51.917 334 HD23 LEU 43 HD23 LEU 43 5.596 55.358 53.383 335 H HIS 44 H HIS 44 3.210 59.638 56.489 336 HA HIS 44 HA HIS 44 0.576 59.097 56.094 337 HD1 HIS 44 HD1 HIS 44 0.333 59.677 60.005 338 HD2 HIS 44 HD2 HIS 44 -1.756 61.180 56.743 339 HE1 HIS 44 HE1 HIS 44 -2.092 59.605 60.667 340 HB2 HIS 44 HB2 HIS 44 1.833 60.194 58.119 341 HB3 HIS 44 HB3 HIS 44 1.290 61.702 57.393 342 H THR 45 H THR 45 2.240 62.084 55.133 343 HA THR 45 HA THR 45 0.228 63.635 54.202 344 HB THR 45 HB THR 45 2.848 63.145 52.773 345 HG1 THR 45 HG1 THR 45 2.665 63.980 55.102 346 HG21 THR 45 HG21 THR 45 1.087 65.588 52.625 347 HG22 THR 45 HG22 THR 45 1.055 64.297 51.424 348 HG23 THR 45 HG23 THR 45 2.528 65.234 51.672 349 H ARG 46 H ARG 46 1.370 60.660 52.783 350 HA ARG 46 HA ARG 46 -0.627 60.954 50.636 351 HE ARG 46 HE ARG 46 1.419 60.931 46.246 352 HB2 ARG 46 HB2 ARG 46 2.140 60.300 50.497 353 HB3 ARG 46 HB3 ARG 46 1.226 58.868 50.041 354 HG2 ARG 46 HG2 ARG 46 0.615 59.743 48.084 355 HG3 ARG 46 HG3 ARG 46 0.234 61.311 48.800 356 HD2 ARG 46 HD2 ARG 46 2.487 62.018 48.679 357 HD3 ARG 46 HD3 ARG 46 3.056 60.386 48.331 358 HH11 ARG 46 HH11 ARG 46 4.108 62.611 47.685 359 HH12 ARG 46 HH12 ARG 46 4.607 63.353 46.200 360 HH21 ARG 46 HH21 ARG 46 2.066 61.901 44.286 361 HH22 ARG 46 HH22 ARG 46 3.444 62.949 44.268 362 H ARG 47 H ARG 47 1.088 58.399 52.448 363 HA ARG 47 HA ARG 47 -1.414 57.161 53.177 364 HE ARG 47 HE ARG 47 -4.168 54.236 51.354 365 HB2 ARG 47 HB2 ARG 47 -0.369 56.378 50.770 366 HB3 ARG 47 HB3 ARG 47 0.339 55.201 51.867 367 HG2 ARG 47 HG2 ARG 47 -1.586 54.123 51.314 368 HG3 ARG 47 HG3 ARG 47 -2.139 55.015 52.733 369 HD2 ARG 47 HD2 ARG 47 -3.120 56.715 51.351 370 HD3 ARG 47 HD3 ARG 47 -2.420 56.001 49.899 371 HH11 ARG 47 HH11 ARG 47 -3.954 56.701 48.906 372 HH12 ARG 47 HH12 ARG 47 -5.421 56.227 48.114 373 HH21 ARG 47 HH21 ARG 47 -6.101 53.601 50.321 374 HH22 ARG 47 HH22 ARG 47 -6.641 54.464 48.922 375 HA PRO 48 HA PRO 48 1.575 56.570 56.504 376 HB2 PRO 48 HB2 PRO 48 -0.307 56.098 58.403 377 HB3 PRO 48 HB3 PRO 48 0.127 57.724 57.863 378 HG2 PRO 48 HG2 PRO 48 -2.196 56.016 57.058 379 HG3 PRO 48 HG3 PRO 48 -2.159 57.749 57.433 380 HD2 PRO 48 HD2 PRO 48 -2.187 56.808 54.895 381 HD3 PRO 48 HD3 PRO 48 -1.357 58.312 55.347 382 H ASP 49 H ASP 49 -1.265 54.512 55.914 383 HA ASP 49 HA ASP 49 -0.443 52.258 57.326 384 HB2 ASP 49 HB2 ASP 49 -2.705 52.477 56.453 385 HB3 ASP 49 HB3 ASP 49 -2.100 52.423 54.800 386 H GLU 50 H GLU 50 0.813 53.601 54.448 387 HA GLU 50 HA GLU 50 1.927 51.159 53.407 388 HB2 GLU 50 HB2 GLU 50 2.379 54.061 52.711 389 HB3 GLU 50 HB3 GLU 50 3.171 52.730 51.880 390 HG2 GLU 50 HG2 GLU 50 0.204 53.217 52.020 391 HG3 GLU 50 HG3 GLU 50 1.248 53.524 50.633 392 H PHE 51 H PHE 51 3.340 54.115 54.818 393 HA PHE 51 HA PHE 51 5.969 53.252 54.970 394 HD1 PHE 51 HD1 PHE 51 6.591 54.395 58.545 395 HD2 PHE 51 HD2 PHE 51 7.189 56.122 54.700 396 HE1 PHE 51 HE1 PHE 51 8.904 54.962 59.162 397 HE2 PHE 51 HE2 PHE 51 9.503 56.690 55.311 398 HZ PHE 51 HZ PHE 51 10.363 56.111 57.545 399 HB2 PHE 51 HB2 PHE 51 4.997 55.578 55.455 400 HB3 PHE 51 HB3 PHE 51 4.706 54.984 57.087 401 H THR 52 H THR 52 3.256 52.183 56.735 402 HA THR 52 HA THR 52 4.032 51.482 59.209 403 HB THR 52 HB THR 52 2.690 49.437 59.046 404 HG1 THR 52 HG1 THR 52 3.479 48.937 56.847 405 HG21 THR 52 HG21 THR 52 1.254 51.202 59.363 406 HG22 THR 52 HG22 THR 52 0.651 50.582 57.826 407 HG23 THR 52 HG23 THR 52 1.714 51.989 57.854 408 H ALA 53 H ALA 53 5.414 50.293 56.268 409 HA ALA 53 HA ALA 53 6.569 47.908 57.006 410 HB1 ALA 53 HB1 ALA 53 7.140 49.984 55.023 411 HB2 ALA 53 HB2 ALA 53 8.542 49.022 55.489 412 HB3 ALA 53 HB3 ALA 53 7.101 48.228 54.854 413 H ARG 54 H ARG 54 7.214 51.026 58.249 414 HA ARG 54 HA ARG 54 9.892 50.490 59.145 415 HE ARG 54 HE ARG 54 11.537 54.624 57.613 416 HB2 ARG 54 HB2 ARG 54 8.597 52.780 58.701 417 HB3 ARG 54 HB3 ARG 54 8.243 52.616 60.416 418 HG2 ARG 54 HG2 ARG 54 10.178 53.931 60.298 419 HG3 ARG 54 HG3 ARG 54 10.738 52.321 60.756 420 HD2 ARG 54 HD2 ARG 54 12.034 52.207 58.955 421 HD3 ARG 54 HD3 ARG 54 10.663 52.548 57.901 422 HH11 ARG 54 HH11 ARG 54 12.557 53.437 60.723 423 HH12 ARG 54 HH12 ARG 54 13.503 54.841 61.095 424 HH21 ARG 54 HH21 ARG 54 12.779 56.477 58.091 425 HH22 ARG 54 HH22 ARG 54 13.627 56.570 59.597 426 H LEU 55 H LEU 55 6.934 51.215 61.004 427 HA LEU 55 HA LEU 55 7.946 50.121 63.408 428 HG LEU 55 HG LEU 55 3.772 50.891 63.296 429 HB2 LEU 55 HB2 LEU 55 5.987 50.777 64.361 430 HB3 LEU 55 HB3 LEU 55 5.972 51.790 62.919 431 HD11 LEU 55 HD11 LEU 55 3.416 50.553 61.122 432 HD12 LEU 55 HD12 LEU 55 4.444 49.120 61.085 433 HD13 LEU 55 HD13 LEU 55 5.161 50.724 60.932 434 HD21 LEU 55 HD21 LEU 55 5.019 48.717 64.353 435 HD22 LEU 55 HD22 LEU 55 4.477 48.089 62.797 436 HD23 LEU 55 HD23 LEU 55 3.310 48.786 63.921 437 H GLN 56 H GLN 56 6.357 48.735 60.675 438 HA GLN 56 HA GLN 56 5.158 46.481 61.742 439 HB2 GLN 56 HB2 GLN 56 4.883 47.037 59.415 440 HB3 GLN 56 HB3 GLN 56 6.605 46.835 59.115 441 HG2 GLN 56 HG2 GLN 56 6.182 44.402 59.936 442 HG3 GLN 56 HG3 GLN 56 4.502 44.767 59.543 443 HE21 GLN 56 HE21 GLN 56 3.864 44.531 57.511 444 HE22 GLN 56 HE22 GLN 56 4.905 44.305 56.152 445 H GLN 57 H GLN 57 8.528 47.205 61.328 446 HA GLN 57 HA GLN 57 9.577 44.600 61.441 447 HB2 GLN 57 HB2 GLN 57 10.721 47.277 62.222 448 HB3 GLN 57 HB3 GLN 57 11.650 45.787 62.326 449 HG2 GLN 57 HG2 GLN 57 10.316 46.423 59.754 450 HG3 GLN 57 HG3 GLN 57 11.742 47.353 60.206 451 HE21 GLN 57 HE21 GLN 57 10.908 44.974 58.310 452 HE22 GLN 57 HE22 GLN 57 12.284 43.935 58.421 453 H SER 58 H SER 58 8.657 46.884 63.962 454 HA SER 58 HA SER 58 9.626 45.189 66.086 455 HG SER 58 HG SER 58 10.273 47.214 67.735 456 HB2 SER 58 HB2 SER 58 8.258 47.839 65.921 457 HB3 SER 58 HB3 SER 58 8.175 46.949 67.441 458 H THR 59 H THR 59 6.381 46.441 65.282 459 HA THR 59 HA THR 59 4.836 44.956 66.947 460 HB THR 59 HB THR 59 4.058 46.658 65.222 461 HG1 THR 59 HG1 THR 59 2.270 45.922 66.078 462 HG21 THR 59 HG21 THR 59 5.085 45.179 63.336 463 HG22 THR 59 HG22 THR 59 3.571 46.033 63.045 464 HG23 THR 59 HG23 THR 59 3.552 44.313 63.434 465 H ASP 60 H ASP 60 6.698 43.786 64.300 466 HA ASP 60 HA ASP 60 5.372 41.456 63.593 467 HB2 ASP 60 HB2 ASP 60 7.926 42.591 63.143 468 HB3 ASP 60 HB3 ASP 60 8.195 40.943 63.703 469 H ALA 61 H ALA 61 7.910 41.824 66.072 470 HA ALA 61 HA ALA 61 8.015 39.266 67.041 471 HB1 ALA 61 HB1 ALA 61 8.841 41.833 67.931 472 HB2 ALA 61 HB2 ALA 61 8.114 40.982 69.296 473 HB3 ALA 61 HB3 ALA 61 9.453 40.251 68.411 474 H LEU 62 H LEU 62 5.817 41.838 68.161 475 HA LEU 62 HA LEU 62 4.432 40.256 70.029 476 HG LEU 62 HG LEU 62 2.557 41.326 71.078 477 HB2 LEU 62 HB2 LEU 62 4.430 42.762 69.865 478 HB3 LEU 62 HB3 LEU 62 3.321 42.604 68.504 479 HD11 LEU 62 HD11 LEU 62 1.777 43.324 72.058 480 HD12 LEU 62 HD12 LEU 62 2.132 44.265 70.610 481 HD13 LEU 62 HD13 LEU 62 3.451 43.635 71.596 482 HD21 LEU 62 HD21 LEU 62 1.125 42.719 68.825 483 HD22 LEU 62 HD22 LEU 62 0.326 42.194 70.308 484 HD23 LEU 62 HD23 LEU 62 1.082 41.006 69.245 485 H TYR 63 H TYR 63 3.589 41.155 66.689 486 HA TYR 63 HA TYR 63 1.167 39.899 66.434 487 HD1 TYR 63 HD1 TYR 63 0.127 39.325 63.404 488 HD2 TYR 63 HD2 TYR 63 1.951 42.890 64.841 489 HE1 TYR 63 HE1 TYR 63 -1.791 40.629 62.585 490 HE2 TYR 63 HE2 TYR 63 0.039 44.204 64.026 491 HH TYR 63 HH TYR 63 -2.797 43.136 63.413 492 HB2 TYR 63 HB2 TYR 63 3.226 40.843 64.640 493 HB3 TYR 63 HB3 TYR 63 2.490 39.371 64.014 494 H SER 64 H SER 64 4.318 38.434 65.625 495 HA SER 64 HA SER 64 3.244 35.832 65.253 496 HG SER 64 HG SER 64 4.399 35.592 63.600 497 HB2 SER 64 HB2 SER 64 5.812 37.112 65.020 498 HB3 SER 64 HB3 SER 64 5.986 35.589 65.893 499 H HIS 65 H HIS 65 4.698 37.502 67.983 500 HA HIS 65 HA HIS 65 5.184 35.405 69.709 501 HD1 HIS 65 HD1 HIS 65 3.381 38.660 72.536 502 HD2 HIS 65 HD2 HIS 65 5.805 35.288 72.434 503 HE1 HIS 65 HE1 HIS 65 3.406 37.778 74.891 504 HB2 HIS 65 HB2 HIS 65 5.862 37.602 70.345 505 HB3 HIS 65 HB3 HIS 65 4.210 38.208 70.263 506 H LEU 66 H LEU 66 2.218 37.393 69.771 507 HA LEU 66 HA LEU 66 0.738 35.853 71.502 508 HG LEU 66 HG LEU 66 -1.711 36.269 71.468 509 HB2 LEU 66 HB2 LEU 66 0.250 38.108 70.199 510 HB3 LEU 66 HB3 LEU 66 -0.662 37.021 69.154 511 HD11 LEU 66 HD11 LEU 66 -1.194 37.537 73.207 512 HD12 LEU 66 HD12 LEU 66 -1.836 38.947 72.367 513 HD13 LEU 66 HD13 LEU 66 -0.134 38.520 72.197 514 HD21 LEU 66 HD21 LEU 66 -2.446 37.984 69.344 515 HD22 LEU 66 HD22 LEU 66 -3.008 38.725 70.843 516 HD23 LEU 66 HD23 LEU 66 -3.497 37.080 70.436 517 H GLU 67 H GLU 67 0.669 35.645 67.940 518 HA GLU 67 HA GLU 67 -1.006 33.387 67.825 519 HB2 GLU 67 HB2 GLU 67 -0.153 35.095 65.974 520 HB3 GLU 67 HB3 GLU 67 1.032 33.827 65.696 521 HG2 GLU 67 HG2 GLU 67 -1.233 32.367 65.748 522 HG3 GLU 67 HG3 GLU 67 -1.848 33.891 65.111 523 H ALA 68 H ALA 68 2.288 33.710 68.649 524 HA ALA 68 HA ALA 68 3.040 31.011 67.942 525 HB1 ALA 68 HB1 ALA 68 4.927 32.254 67.819 526 HB2 ALA 68 HB2 ALA 68 4.401 33.377 69.075 527 HB3 ALA 68 HB3 ALA 68 5.052 31.799 69.519 528 H GLN 69 H GLN 69 2.901 32.783 71.040 529 HA GLN 69 HA GLN 69 2.749 30.269 72.484 530 HB2 GLN 69 HB2 GLN 69 4.027 32.503 73.120 531 HB3 GLN 69 HB3 GLN 69 2.477 32.907 73.848 532 HG2 GLN 69 HG2 GLN 69 3.316 30.232 74.545 533 HG3 GLN 69 HG3 GLN 69 4.525 31.435 74.991 534 HE21 GLN 69 HE21 GLN 69 2.368 29.731 76.408 535 HE22 GLN 69 HE22 GLN 69 1.635 30.861 77.491 536 H TRP 70 H TRP 70 0.821 33.268 72.365 537 HA TRP 70 HA TRP 70 -1.330 32.506 73.877 538 HD1 TRP 70 HD1 TRP 70 -4.427 34.572 72.062 539 HE1 TRP 70 HE1 TRP 70 -5.542 35.625 74.130 540 HE3 TRP 70 HE3 TRP 70 -0.367 34.765 75.164 541 HZ2 TRP 70 HZ2 TRP 70 -4.798 36.432 76.731 542 HZ3 TRP 70 HZ3 TRP 70 -0.653 35.692 77.425 543 HH2 TRP 70 HH2 TRP 70 -2.824 36.508 78.190 544 HB2 TRP 70 HB2 TRP 70 -0.762 34.679 72.361 545 HB3 TRP 70 HB3 TRP 70 -2.037 33.945 71.391 546 H ALA 71 H ALA 71 -0.470 31.414 70.697 547 HA ALA 71 HA ALA 71 -2.934 30.427 69.813 548 HB1 ALA 71 HB1 ALA 71 -1.527 30.242 68.078 549 HB2 ALA 71 HB2 ALA 71 -0.116 30.041 69.118 550 HB3 ALA 71 HB3 ALA 71 -1.149 28.658 68.756 551 H LYS 72 H LYS 72 -0.455 28.962 71.863 552 HA LYS 72 HA LYS 72 -1.232 26.362 72.019 553 HB2 LYS 72 HB2 LYS 72 0.373 28.056 73.544 554 HB3 LYS 72 HB3 LYS 72 -0.791 27.410 74.694 555 HG2 LYS 72 HG2 LYS 72 0.845 25.831 74.838 556 HG3 LYS 72 HG3 LYS 72 -0.152 25.126 73.563 557 HD2 LYS 72 HD2 LYS 72 2.084 24.977 72.807 558 HD3 LYS 72 HD3 LYS 72 1.354 26.310 71.911 559 HE2 LYS 72 HE2 LYS 72 2.723 27.832 72.832 560 HE3 LYS 72 HE3 LYS 72 2.602 27.109 74.435 561 HZ1 LYS 72 HZ1 LYS 72 4.677 26.426 74.098 562 HZ2 LYS 72 HZ2 LYS 72 4.633 26.789 72.446 563 HZ3 LYS 72 HZ3 LYS 72 4.051 25.302 73.000 564 H GLN 73 H GLN 73 -3.014 29.115 73.092 565 HA GLN 73 HA GLN 73 -4.676 28.081 75.035 566 HB2 GLN 73 HB2 GLN 73 -5.195 30.099 72.859 567 HB3 GLN 73 HB3 GLN 73 -6.406 29.705 74.071 568 HG2 GLN 73 HG2 GLN 73 -3.850 30.292 75.282 569 HG3 GLN 73 HG3 GLN 73 -4.409 31.617 74.260 570 HE21 GLN 73 HE21 GLN 73 -4.161 31.318 77.208 571 HE22 GLN 73 HE22 GLN 73 -5.721 31.720 77.832 572 H HIS 74 H HIS 74 -5.442 28.233 71.551 573 HA HIS 74 HA HIS 74 -6.923 25.714 71.845 574 HD1 HIS 74 HD1 HIS 74 -10.111 25.316 71.091 575 HD2 HIS 74 HD2 HIS 74 -8.918 28.385 73.625 576 HE1 HIS 74 HE1 HIS 74 -11.658 25.195 73.071 577 HB2 HIS 74 HB2 HIS 74 -7.966 28.344 70.961 578 HB3 HIS 74 HB3 HIS 74 -8.469 26.947 70.013 579 H GLY 75 H GLY 75 -5.634 28.102 69.542 580 HA2 GLY 75 HA2 GLY 75 -4.071 27.554 67.843 581 HA3 GLY 75 HA3 GLY 75 -4.591 25.879 67.940 582 H THR 76 H THR 76 -7.457 26.857 67.921 583 HA THR 76 HA THR 76 -7.721 26.861 65.031 584 HB THR 76 HB THR 76 -9.638 25.792 65.406 585 HG1 THR 76 HG1 THR 76 -10.916 27.548 65.570 586 HG21 THR 76 HG21 THR 76 -10.073 24.862 67.543 587 HG22 THR 76 HG22 THR 76 -9.289 26.208 68.370 588 HG23 THR 76 HG23 THR 76 -8.324 25.057 67.446 589 HA PRO 77 HA PRO 77 -9.998 30.989 66.169 590 HB2 PRO 77 HB2 PRO 77 -9.511 31.998 68.642 591 HB3 PRO 77 HB3 PRO 77 -10.848 30.893 68.301 592 HG2 PRO 77 HG2 PRO 77 -8.161 30.309 69.486 593 HG3 PRO 77 HG3 PRO 77 -9.756 29.705 69.975 594 HD2 PRO 77 HD2 PRO 77 -8.035 28.237 68.487 595 HD3 PRO 77 HD3 PRO 77 -9.797 28.105 68.317 596 HA PRO 78 HA PRO 78 -5.645 32.936 67.259 597 HB2 PRO 78 HB2 PRO 78 -3.600 31.163 67.054 598 HB3 PRO 78 HB3 PRO 78 -4.440 31.489 68.574 599 HG2 PRO 78 HG2 PRO 78 -4.812 29.225 66.652 600 HG3 PRO 78 HG3 PRO 78 -4.751 29.189 68.425 601 HD2 PRO 78 HD2 PRO 78 -7.080 29.103 67.045 602 HD3 PRO 78 HD3 PRO 78 -6.942 29.873 68.639 603 H THR 79 H THR 79 -5.867 33.967 65.306 604 HA THR 79 HA THR 79 -4.183 33.037 63.159 605 HB THR 79 HB THR 79 -6.423 31.905 62.772 606 HG1 THR 79 HG1 THR 79 -5.723 33.723 60.703 607 HG21 THR 79 HG21 THR 79 -8.319 33.079 62.610 608 HG22 THR 79 HG22 THR 79 -7.581 34.260 61.529 609 HG23 THR 79 HG23 THR 79 -7.422 34.443 63.276 610 H ALA 80 H ALA 80 -4.123 34.643 61.345 611 HA ALA 80 HA ALA 80 -3.466 37.155 62.158 612 HB1 ALA 80 HB1 ALA 80 -2.802 36.814 60.013 613 HB2 ALA 80 HB2 ALA 80 -4.306 36.013 59.556 614 HB3 ALA 80 HB3 ALA 80 -4.249 37.771 59.691 615 H SER 81 H SER 81 -6.671 35.984 61.292 616 HA SER 81 HA SER 81 -7.984 38.474 61.235 617 HG SER 81 HG SER 81 -9.807 36.824 59.527 618 HB2 SER 81 HB2 SER 81 -9.054 35.714 61.866 619 HB3 SER 81 HB3 SER 81 -10.062 37.133 61.579 620 H ASP 82 H ASP 82 -7.206 36.265 63.850 621 HA ASP 82 HA ASP 82 -8.658 37.899 65.781 622 HB2 ASP 82 HB2 ASP 82 -7.072 35.348 66.151 623 HB3 ASP 82 HB3 ASP 82 -8.007 36.155 67.407 624 H VAL 83 H VAL 83 -5.355 36.561 65.549 625 HA VAL 83 HA VAL 83 -4.109 37.954 67.524 626 HB VAL 83 HB VAL 83 -2.893 37.508 64.797 627 HG11 VAL 83 HG11 VAL 83 -1.151 37.115 67.051 628 HG12 VAL 83 HG12 VAL 83 -0.973 38.204 65.674 629 HG13 VAL 83 HG13 VAL 83 -1.871 38.724 67.100 630 HG21 VAL 83 HG21 VAL 83 -3.778 35.625 66.827 631 HG22 VAL 83 HG22 VAL 83 -3.271 35.338 65.163 632 HG23 VAL 83 HG23 VAL 83 -2.065 35.452 66.445 633 H VAL 84 H VAL 84 -5.168 39.182 64.430 634 HA VAL 84 HA VAL 84 -3.714 41.532 64.235 635 HB VAL 84 HB VAL 84 -5.128 40.861 62.420 636 HG11 VAL 84 HG11 VAL 84 -7.437 40.586 62.505 637 HG12 VAL 84 HG12 VAL 84 -6.893 39.911 64.043 638 HG13 VAL 84 HG13 VAL 84 -7.593 41.530 63.987 639 HG21 VAL 84 HG21 VAL 84 -6.733 43.159 62.766 640 HG22 VAL 84 HG22 VAL 84 -5.188 43.478 63.554 641 HG23 VAL 84 HG23 VAL 84 -5.230 43.007 61.855 642 H GLY 85 H GLY 85 -6.611 40.841 66.132 643 HA2 GLY 85 HA2 GLY 85 -6.198 43.416 67.514 644 HA3 GLY 85 HA3 GLY 85 -7.807 42.874 67.062 645 H MET 86 H MET 86 -5.985 40.220 67.898 646 HA MET 86 HA MET 86 -7.491 39.706 70.235 647 HB2 MET 86 HB2 MET 86 -6.381 38.028 68.643 648 HB3 MET 86 HB3 MET 86 -4.901 38.339 69.539 649 HG2 MET 86 HG2 MET 86 -5.533 37.053 71.239 650 HG3 MET 86 HG3 MET 86 -7.153 37.747 71.273 651 HE1 MET 86 HE1 MET 86 -5.159 34.366 69.771 652 HE2 MET 86 HE2 MET 86 -5.845 34.695 68.179 653 HE3 MET 86 HE3 MET 86 -4.863 35.917 68.985 654 HA PRO 87 HA PRO 87 -3.319 40.740 72.502 655 HB2 PRO 87 HB2 PRO 87 -1.591 42.319 71.126 656 HB3 PRO 87 HB3 PRO 87 -1.539 40.553 71.060 657 HG2 PRO 87 HG2 PRO 87 -2.742 42.487 69.117 658 HG3 PRO 87 HG3 PRO 87 -1.773 41.037 68.798 659 HD2 PRO 87 HD2 PRO 87 -4.471 41.062 68.582 660 HD3 PRO 87 HD3 PRO 87 -3.567 39.619 69.088 661 H GLN 88 H GLN 88 -2.257 42.944 73.207 662 HA GLN 88 HA GLN 88 -4.448 44.806 73.509 663 HB2 GLN 88 HB2 GLN 88 -3.059 45.904 75.150 664 HB3 GLN 88 HB3 GLN 88 -3.003 44.166 75.421 665 HG2 GLN 88 HG2 GLN 88 -0.839 44.055 74.304 666 HG3 GLN 88 HG3 GLN 88 -0.896 45.793 74.017 667 HE21 GLN 88 HE21 GLN 88 1.201 45.587 75.180 668 HE22 GLN 88 HE22 GLN 88 1.172 45.705 76.903 669 H TRP 89 H TRP 89 -1.328 44.677 71.907 670 HA TRP 89 HA TRP 89 -0.763 47.252 71.296 671 HD1 TRP 89 HD1 TRP 89 -0.867 43.089 68.959 672 HE1 TRP 89 HE1 TRP 89 -1.825 42.996 66.572 673 HE3 TRP 89 HE3 TRP 89 -0.761 48.078 67.847 674 HZ2 TRP 89 HZ2 TRP 89 -2.453 44.799 64.493 675 HZ3 TRP 89 HZ3 TRP 89 -1.557 48.811 65.637 676 HH2 TRP 89 HH2 TRP 89 -2.384 47.204 63.996 677 HB2 TRP 89 HB2 TRP 89 0.577 46.445 69.633 678 HB3 TRP 89 HB3 TRP 89 0.208 44.916 70.424 679 H GLN 90 H GLN 90 -3.414 45.355 70.034 680 HA GLN 90 HA GLN 90 -4.119 47.129 67.925 681 HB2 GLN 90 HB2 GLN 90 -4.909 44.904 67.745 682 HB3 GLN 90 HB3 GLN 90 -5.596 44.934 69.362 683 HG2 GLN 90 HG2 GLN 90 -7.406 45.062 67.864 684 HG3 GLN 90 HG3 GLN 90 -7.201 46.679 68.537 685 HE21 GLN 90 HE21 GLN 90 -8.582 46.956 66.496 686 HE22 GLN 90 HE22 GLN 90 -7.714 47.361 65.057 687 H GLU 91 H GLU 91 -5.141 46.780 71.288 688 HA GLU 91 HA GLU 91 -7.133 48.846 71.091 689 HB2 GLU 91 HB2 GLU 91 -6.452 46.820 72.952 690 HB3 GLU 91 HB3 GLU 91 -6.341 48.356 73.802 691 HG2 GLU 91 HG2 GLU 91 -8.630 48.895 73.012 692 HG3 GLU 91 HG3 GLU 91 -8.727 47.275 72.322 693 H TYR 92 H TYR 92 -3.837 48.582 72.335 694 HA TYR 92 HA TYR 92 -3.719 51.172 73.471 695 HD1 TYR 92 HD1 TYR 92 -1.434 52.088 74.904 696 HD2 TYR 92 HD2 TYR 92 -2.250 47.912 74.922 697 HE1 TYR 92 HE1 TYR 92 -1.294 52.077 77.359 698 HE2 TYR 92 HE2 TYR 92 -2.112 47.890 77.378 699 HH TYR 92 HH TYR 92 -1.647 50.874 79.220 700 HB2 TYR 92 HB2 TYR 92 -1.830 48.994 72.885 701 HB3 TYR 92 HB3 TYR 92 -1.116 50.603 72.855 702 H THR 93 H THR 93 -2.319 49.918 70.439 703 HA THR 93 HA THR 93 -1.271 52.198 69.379 704 HB THR 93 HB THR 93 -1.139 49.986 68.284 705 HG1 THR 93 HG1 THR 93 -1.594 50.901 66.078 706 HG21 THR 93 HG21 THR 93 -2.911 48.869 67.465 707 HG22 THR 93 HG22 THR 93 -3.641 50.328 66.795 708 HG23 THR 93 HG23 THR 93 -3.862 49.934 68.500 709 H ALA 94 H ALA 94 -4.614 51.467 69.850 710 HA ALA 94 HA ALA 94 -5.618 53.432 68.008 711 HB1 ALA 94 HB1 ALA 94 -7.592 52.819 69.928 712 HB2 ALA 94 HB2 ALA 94 -7.456 52.221 68.274 713 HB3 ALA 94 HB3 ALA 94 -6.707 51.329 69.600 714 H MET 95 H MET 95 -4.969 53.274 71.470 715 HA MET 95 HA MET 95 -6.205 55.707 72.180 716 HB2 MET 95 HB2 MET 95 -5.108 53.694 73.590 717 HB3 MET 95 HB3 MET 95 -3.797 54.862 73.688 718 HG2 MET 95 HG2 MET 95 -5.257 56.490 74.686 719 HG3 MET 95 HG3 MET 95 -6.647 55.431 74.464 720 HE1 MET 95 HE1 MET 95 -5.094 56.706 77.571 721 HE2 MET 95 HE2 MET 95 -6.708 56.519 76.886 722 HE3 MET 95 HE3 MET 95 -6.229 55.560 78.287 723 H LEU 96 H LEU 96 -2.958 54.921 71.059 724 HA LEU 96 HA LEU 96 -1.962 57.590 71.435 725 HG LEU 96 HG LEU 96 -1.695 54.351 69.768 726 HB2 LEU 96 HB2 LEU 96 -0.155 56.519 69.789 727 HB3 LEU 96 HB3 LEU 96 -0.182 56.210 71.523 728 HD11 LEU 96 HD11 LEU 96 0.581 53.062 69.668 729 HD12 LEU 96 HD12 LEU 96 1.266 54.683 69.758 730 HD13 LEU 96 HD13 LEU 96 0.173 54.261 68.440 731 HD21 LEU 96 HD21 LEU 96 -0.994 52.740 71.424 732 HD22 LEU 96 HD22 LEU 96 -1.674 54.154 72.230 733 HD23 LEU 96 HD23 LEU 96 0.074 53.927 72.174 734 H ARG 97 H ARG 97 -2.743 55.600 68.582 735 HA ARG 97 HA ARG 97 -2.305 57.607 66.671 736 HE ARG 97 HE ARG 97 -5.822 54.262 63.437 737 HB2 ARG 97 HB2 ARG 97 -3.075 56.099 65.133 738 HB3 ARG 97 HB3 ARG 97 -2.761 55.001 66.470 739 HG2 ARG 97 HG2 ARG 97 -5.168 55.238 67.114 740 HG3 ARG 97 HG3 ARG 97 -5.411 56.130 65.612 741 HD2 ARG 97 HD2 ARG 97 -4.048 53.849 64.830 742 HD3 ARG 97 HD3 ARG 97 -5.172 53.274 66.060 743 HH11 ARG 97 HH11 ARG 97 -6.990 53.715 66.671 744 HH12 ARG 97 HH12 ARG 97 -8.656 53.650 66.199 745 HH21 ARG 97 HH21 ARG 97 -8.012 54.177 62.803 746 HH22 ARG 97 HH22 ARG 97 -9.236 53.912 63.998 747 H GLU 98 H GLU 98 -5.192 56.697 68.490 748 HA GLU 98 HA GLU 98 -6.902 58.543 67.119 749 HB2 GLU 98 HB2 GLU 98 -7.700 56.449 68.232 750 HB3 GLU 98 HB3 GLU 98 -7.354 57.195 69.785 751 HG2 GLU 98 HG2 GLU 98 -9.742 57.285 69.085 752 HG3 GLU 98 HG3 GLU 98 -9.021 58.849 69.462 753 H ARG 99 H ARG 99 -5.512 58.449 70.400 754 HA ARG 99 HA ARG 99 -6.251 61.230 70.822 755 HE ARG 99 HE ARG 99 -8.764 60.470 74.964 756 HB2 ARG 99 HB2 ARG 99 -6.204 59.152 72.526 757 HB3 ARG 99 HB3 ARG 99 -4.590 59.789 72.813 758 HG2 ARG 99 HG2 ARG 99 -5.888 60.855 74.409 759 HG3 ARG 99 HG3 ARG 99 -5.760 62.054 73.120 760 HD2 ARG 99 HD2 ARG 99 -7.959 61.996 72.692 761 HD3 ARG 99 HD3 ARG 99 -8.029 60.238 72.817 762 HH11 ARG 99 HH11 ARG 99 -7.242 63.442 73.975 763 HH12 ARG 99 HH12 ARG 99 -7.684 64.299 75.416 764 HH21 ARG 99 HH21 ARG 99 -9.351 61.588 76.864 765 HH22 ARG 99 HH22 ARG 99 -8.882 63.243 77.058 766 H PHE 100 H PHE 100 -4.059 60.170 68.943 767 HA PHE 100 HA PHE 100 -1.519 60.747 69.751 768 HD1 PHE 100 HD1 PHE 100 -4.690 60.982 67.339 769 HD2 PHE 100 HD2 PHE 100 -1.149 62.920 65.989 770 HE1 PHE 100 HE1 PHE 100 -6.037 62.390 65.838 771 HE2 PHE 100 HE2 PHE 100 -2.491 64.333 64.487 772 HZ PHE 100 HZ PHE 100 -4.939 64.070 64.411 773 HB2 PHE 100 HB2 PHE 100 -0.966 61.178 67.464 774 HB3 PHE 100 HB3 PHE 100 -2.241 59.963 67.468 775 H ALA 101 H ALA 101 -4.021 63.051 68.800 776 HA ALA 101 HA ALA 101 -2.739 65.407 68.564 777 HB1 ALA 101 HB1 ALA 101 -4.741 66.340 70.001 778 HB2 ALA 101 HB2 ALA 101 -5.006 65.650 68.399 779 HB3 ALA 101 HB3 ALA 101 -5.328 64.685 69.840 780 H GLY 102 H GLY 102 -2.906 63.480 71.440 781 HA2 GLY 102 HA2 GLY 102 -2.016 65.621 73.183 782 HA3 GLY 102 HA3 GLY 102 -2.276 63.943 73.637 783 H LEU 103 H LEU 103 -0.643 62.376 72.698 784 HA LEU 103 HA LEU 103 1.860 62.820 73.663 785 HG LEU 103 HG LEU 103 -0.197 61.469 71.069 786 HB2 LEU 103 HB2 LEU 103 2.605 61.117 71.875 787 HB3 LEU 103 HB3 LEU 103 1.425 60.627 73.091 788 HD11 LEU 103 HD11 LEU 103 0.844 60.148 69.090 789 HD12 LEU 103 HD12 LEU 103 2.373 60.502 69.893 790 HD13 LEU 103 HD13 LEU 103 1.325 61.821 69.373 791 HD21 LEU 103 HD21 LEU 103 -0.104 59.316 72.475 792 HD22 LEU 103 HD22 LEU 103 0.857 58.663 71.147 793 HD23 LEU 103 HD23 LEU 103 -0.788 59.226 70.851 794 H ASP 104 H ASP 104 0.540 63.967 70.668 795 HA ASP 104 HA ASP 104 2.707 64.470 69.092 796 HB2 ASP 104 HB2 ASP 104 0.122 65.848 69.541 797 HB3 ASP 104 HB3 ASP 104 1.364 66.776 68.703 798 H THR 105 H THR 105 1.961 65.910 72.142 799 HA THR 105 HA THR 105 3.275 68.316 72.102 800 HB THR 105 HB THR 105 2.100 67.635 74.085 801 HG1 THR 105 HG1 THR 105 4.745 67.658 75.032 802 HG21 THR 105 HG21 THR 105 3.334 65.912 75.597 803 HG22 THR 105 HG22 THR 105 4.065 65.376 74.083 804 HG23 THR 105 HG23 THR 105 2.313 65.334 74.279 805 H ILE 106 H ILE 106 4.637 65.168 71.818 806 HA ILE 106 HA ILE 106 7.328 66.359 71.816 807 HB ILE 106 HB ILE 106 8.269 64.357 72.808 808 HG12 ILE 106 HG12 ILE 106 6.505 62.755 73.888 809 HG13 ILE 106 HG13 ILE 106 5.432 63.393 72.648 810 HG21 ILE 106 HG21 ILE 106 7.944 65.717 74.577 811 HG22 ILE 106 HG22 ILE 106 6.238 65.965 74.209 812 HG23 ILE 106 HG23 ILE 106 6.758 64.497 75.035 813 HD11 ILE 106 HD11 ILE 106 7.204 61.276 72.407 814 HD12 ILE 106 HD12 ILE 106 6.327 62.082 71.107 815 HD13 ILE 106 HD13 ILE 106 7.961 62.600 71.523 Start of MODEL 11 1 H LYS 1 H LYS 1 31.291 57.205 78.127 2 HA LYS 1 HA LYS 1 29.341 58.338 78.420 3 HB2 LYS 1 HB2 LYS 1 27.912 57.672 80.334 4 HB3 LYS 1 HB3 LYS 1 28.535 56.296 79.432 5 HG2 LYS 1 HG2 LYS 1 30.390 56.845 81.487 6 HG3 LYS 1 HG3 LYS 1 28.779 56.880 82.208 7 HD2 LYS 1 HD2 LYS 1 28.316 54.682 81.143 8 HD3 LYS 1 HD3 LYS 1 29.989 54.645 80.581 9 HE2 LYS 1 HE2 LYS 1 29.210 54.913 83.478 10 HE3 LYS 1 HE3 LYS 1 29.529 53.365 82.697 11 HZ1 LYS 1 HZ1 LYS 1 31.378 55.390 83.585 12 HZ2 LYS 1 HZ2 LYS 1 31.703 54.806 82.030 13 HZ3 LYS 1 HZ3 LYS 1 31.623 53.734 83.335 14 H GLN 2 H GLN 2 31.660 59.712 79.095 15 HA GLN 2 HA GLN 2 31.487 60.974 81.634 16 HB2 GLN 2 HB2 GLN 2 33.088 61.299 79.175 17 HB3 GLN 2 HB3 GLN 2 32.893 62.753 80.144 18 HG2 GLN 2 HG2 GLN 2 34.129 60.140 80.950 19 HG3 GLN 2 HG3 GLN 2 34.889 61.729 80.861 20 HE21 GLN 2 HE21 GLN 2 33.092 59.539 82.770 21 HE22 GLN 2 HE22 GLN 2 32.967 60.519 84.187 22 H GLN 3 H GLN 3 30.406 61.874 78.385 23 HA GLN 3 HA GLN 3 29.542 64.458 78.890 24 HB2 GLN 3 HB2 GLN 3 28.241 62.441 77.053 25 HB3 GLN 3 HB3 GLN 3 28.059 64.188 76.966 26 HG2 GLN 3 HG2 GLN 3 30.756 62.913 76.751 27 HG3 GLN 3 HG3 GLN 3 29.685 63.020 75.354 28 HE21 GLN 3 HE21 GLN 3 29.425 64.938 74.332 29 HE22 GLN 3 HE22 GLN 3 30.273 66.382 74.757 30 H LEU 4 H LEU 4 27.078 65.039 78.716 31 HA LEU 4 HA LEU 4 25.887 64.522 81.153 32 HG LEU 4 HG LEU 4 24.040 67.439 79.979 33 HB2 LEU 4 HB2 LEU 4 25.111 65.766 78.640 34 HB3 LEU 4 HB3 LEU 4 23.748 65.034 79.483 35 HD11 LEU 4 HD11 LEU 4 24.645 66.050 82.531 36 HD12 LEU 4 HD12 LEU 4 23.223 65.538 81.624 37 HD13 LEU 4 HD13 LEU 4 23.377 67.215 82.146 38 HD21 LEU 4 HD21 LEU 4 26.065 67.570 81.805 39 HD22 LEU 4 HD22 LEU 4 26.163 68.133 80.136 40 HD23 LEU 4 HD23 LEU 4 26.759 66.529 80.561 41 H GLN 5 H GLN 5 23.661 63.511 81.443 42 HA GLN 5 HA GLN 5 23.840 60.749 80.599 43 HB2 GLN 5 HB2 GLN 5 21.928 60.409 82.136 44 HB3 GLN 5 HB3 GLN 5 23.295 61.197 82.914 45 HG2 GLN 5 HG2 GLN 5 22.027 62.900 83.516 46 HG3 GLN 5 HG3 GLN 5 21.549 63.185 81.844 47 HE21 GLN 5 HE21 GLN 5 20.790 61.367 84.751 48 HE22 GLN 5 HE22 GLN 5 19.121 61.118 84.386 49 H GLU 6 H GLU 6 21.537 59.711 80.178 50 HA GLU 6 HA GLU 6 20.530 61.059 77.795 51 HB2 GLU 6 HB2 GLU 6 20.363 58.251 78.841 52 HB3 GLU 6 HB3 GLU 6 19.261 58.799 77.587 53 HG2 GLU 6 HG2 GLU 6 21.270 59.460 76.243 54 HG3 GLU 6 HG3 GLU 6 22.259 58.646 77.454 55 H HIS 7 H HIS 7 18.339 61.479 77.432 56 HA HIS 7 HA HIS 7 16.834 62.061 79.839 57 HD1 HIS 7 HD1 HIS 7 18.541 63.858 76.643 58 HD2 HIS 7 HD2 HIS 7 16.167 65.335 79.717 59 HE1 HIS 7 HE1 HIS 7 19.567 66.062 77.285 60 HB2 HIS 7 HB2 HIS 7 16.272 62.635 76.925 61 HB3 HIS 7 HB3 HIS 7 15.237 63.149 78.253 62 H ALA 8 H ALA 8 16.224 60.289 76.806 63 HA ALA 8 HA ALA 8 13.903 58.997 77.978 64 HB1 ALA 8 HB1 ALA 8 13.928 59.797 75.616 65 HB2 ALA 8 HB2 ALA 8 15.113 58.542 75.256 66 HB3 ALA 8 HB3 ALA 8 13.495 58.097 75.798 67 HA PRO 9 HA PRO 9 15.890 55.297 79.269 68 HB2 PRO 9 HB2 PRO 9 13.889 53.500 78.896 69 HB3 PRO 9 HB3 PRO 9 13.876 54.696 80.198 70 HG2 PRO 9 HG2 PRO 9 12.483 54.765 77.550 71 HG3 PRO 9 HG3 PRO 9 11.867 55.217 79.151 72 HD2 PRO 9 HD2 PRO 9 12.721 57.048 77.347 73 HD3 PRO 9 HD3 PRO 9 12.889 57.282 79.100 74 H SER 10 H SER 10 14.810 55.736 76.059 75 HA SER 10 HA SER 10 15.494 53.189 74.996 76 HG SER 10 HG SER 10 16.258 56.350 73.906 77 HB2 SER 10 HB2 SER 10 15.315 54.269 72.809 78 HB3 SER 10 HB3 SER 10 13.975 54.766 73.842 79 H HIS 11 H HIS 11 17.377 52.419 74.201 80 HA HIS 11 HA HIS 11 19.811 53.043 75.095 81 HD1 HIS 11 HD1 HIS 11 21.632 50.918 71.492 82 HD2 HIS 11 HD2 HIS 11 21.505 51.735 75.564 83 HE1 HIS 11 HE1 HIS 11 23.840 50.132 72.406 84 HB2 HIS 11 HB2 HIS 11 19.011 51.258 73.317 85 HB3 HIS 11 HB3 HIS 11 19.679 52.421 72.175 86 H ALA 12 H ALA 12 18.575 54.377 72.025 87 HA ALA 12 HA ALA 12 19.914 56.893 72.566 88 HB1 ALA 12 HB1 ALA 12 21.673 55.567 71.496 89 HB2 ALA 12 HB2 ALA 12 20.618 55.286 70.112 90 HB3 ALA 12 HB3 ALA 12 21.172 56.919 70.482 91 H ASN 13 H ASN 13 19.384 58.548 70.911 92 HA ASN 13 HA ASN 13 16.629 58.628 70.405 93 HB2 ASN 13 HB2 ASN 13 18.947 60.334 69.890 94 HB3 ASN 13 HB3 ASN 13 17.712 60.463 68.642 95 HD21 ASN 13 HD21 ASN 13 17.780 62.696 69.629 96 HD22 ASN 13 HD22 ASN 13 16.674 63.002 70.921 97 H LEU 14 H LEU 14 15.412 57.858 68.806 98 HA LEU 14 HA LEU 14 14.772 56.843 66.875 99 HG LEU 14 HG LEU 14 14.292 58.883 65.877 100 HB2 LEU 14 HB2 LEU 14 17.192 58.354 65.942 101 HB3 LEU 14 HB3 LEU 14 16.257 57.341 64.845 102 HD11 LEU 14 HD11 LEU 14 15.346 61.244 65.663 103 HD12 LEU 14 HD12 LEU 14 16.847 60.419 66.085 104 HD13 LEU 14 HD13 LEU 14 15.473 60.369 67.189 105 HD21 LEU 14 HD21 LEU 14 15.071 60.402 63.770 106 HD22 LEU 14 HD22 LEU 14 14.197 58.876 63.632 107 HD23 LEU 14 HD23 LEU 14 15.951 58.907 63.453 108 H ASP 15 H ASP 15 16.174 55.270 68.692 109 HA ASP 15 HA ASP 15 17.281 53.269 66.881 110 HB2 ASP 15 HB2 ASP 15 19.244 54.485 67.702 111 HB3 ASP 15 HB3 ASP 15 18.726 54.218 69.364 112 H VAL 16 H VAL 16 15.887 51.656 67.191 113 HA VAL 16 HA VAL 16 15.551 50.621 69.903 114 HB VAL 16 HB VAL 16 13.219 51.174 68.062 115 HG11 VAL 16 HG11 VAL 16 13.148 50.026 70.845 116 HG12 VAL 16 HG12 VAL 16 11.810 50.189 69.704 117 HG13 VAL 16 HG13 VAL 16 13.109 49.039 69.384 118 HG21 VAL 16 HG21 VAL 16 14.266 53.103 69.381 119 HG22 VAL 16 HG22 VAL 16 12.532 52.841 69.557 120 HG23 VAL 16 HG23 VAL 16 13.639 52.294 70.817 121 H LYS 17 H LYS 17 15.236 48.415 70.017 122 HA LYS 17 HA LYS 17 15.942 46.940 67.628 123 HB2 LYS 17 HB2 LYS 17 15.357 45.837 70.377 124 HB3 LYS 17 HB3 LYS 17 16.246 45.052 69.079 125 HG2 LYS 17 HG2 LYS 17 18.040 46.662 69.290 126 HG3 LYS 17 HG3 LYS 17 17.136 47.536 70.529 127 HD2 LYS 17 HD2 LYS 17 18.564 46.248 71.807 128 HD3 LYS 17 HD3 LYS 17 17.121 45.234 71.751 129 HE2 LYS 17 HE2 LYS 17 18.980 43.819 71.324 130 HE3 LYS 17 HE3 LYS 17 18.152 44.056 69.786 131 HZ1 LYS 17 HZ1 LYS 17 20.043 44.793 68.939 132 HZ2 LYS 17 HZ2 LYS 17 20.826 44.605 70.427 133 HZ3 LYS 17 HZ3 LYS 17 20.069 46.069 70.050 134 H TRP 18 H TRP 18 14.763 44.672 67.505 135 HA TRP 18 HA TRP 18 12.119 45.210 66.659 136 HD1 TRP 18 HD1 TRP 18 14.110 45.380 64.984 137 HE1 TRP 18 HE1 TRP 18 16.219 44.711 63.671 138 HE3 TRP 18 HE3 TRP 18 14.373 40.455 66.330 139 HZ2 TRP 18 HZ2 TRP 18 17.788 42.400 63.260 140 HZ3 TRP 18 HZ3 TRP 18 16.209 39.083 65.433 141 HH2 TRP 18 HH2 TRP 18 17.880 40.037 63.929 142 HB2 TRP 18 HB2 TRP 18 13.075 42.423 67.208 143 HB3 TRP 18 HB3 TRP 18 12.063 43.014 65.894 144 H LEU 19 H LEU 19 10.303 43.606 67.388 145 HA LEU 19 HA LEU 19 9.794 44.191 70.153 146 HG LEU 19 HG LEU 19 6.389 44.415 68.880 147 HB2 LEU 19 HB2 LEU 19 8.280 43.348 67.833 148 HB3 LEU 19 HB3 LEU 19 7.812 42.452 69.277 149 HD11 LEU 19 HD11 LEU 19 8.093 44.246 71.329 150 HD12 LEU 19 HD12 LEU 19 6.397 43.819 71.111 151 HD13 LEU 19 HD13 LEU 19 6.878 45.514 71.176 152 HD21 LEU 19 HD21 LEU 19 8.635 46.224 69.625 153 HD22 LEU 19 HD22 LEU 19 7.153 46.570 68.734 154 HD23 LEU 19 HD23 LEU 19 8.475 45.710 67.945 155 H ASP 20 H ASP 20 10.712 41.387 68.277 156 HA ASP 20 HA ASP 20 10.125 39.224 69.730 157 HB2 ASP 20 HB2 ASP 20 12.006 39.762 67.815 158 HB3 ASP 20 HB3 ASP 20 13.016 39.331 69.193 159 H GLY 21 H GLY 21 12.744 41.481 70.575 160 HA2 GLY 21 HA2 GLY 21 12.330 41.074 73.372 161 HA3 GLY 21 HA3 GLY 21 13.764 40.230 72.807 162 H LEU 22 H LEU 22 13.905 42.237 74.715 163 HA LEU 22 HA LEU 22 15.680 44.087 73.373 164 HG LEU 22 HG LEU 22 15.011 45.826 72.361 165 HB2 LEU 22 HB2 LEU 22 13.018 44.840 74.075 166 HB3 LEU 22 HB3 LEU 22 14.148 45.718 75.104 167 HD11 LEU 22 HD11 LEU 22 12.974 47.444 71.857 168 HD12 LEU 22 HD12 LEU 22 12.131 46.294 72.895 169 HD13 LEU 22 HD13 LEU 22 12.938 45.733 71.431 170 HD21 LEU 22 HD21 LEU 22 14.420 47.651 74.618 171 HD22 LEU 22 HD22 LEU 22 14.422 48.348 72.997 172 HD23 LEU 22 HD23 LEU 22 15.859 47.525 73.604 173 H ARG 23 H ARG 23 17.462 44.136 74.556 174 HA ARG 23 HA ARG 23 17.514 43.172 77.247 175 HE ARG 23 HE ARG 23 22.797 43.611 77.197 176 HB2 ARG 23 HB2 ARG 23 19.384 43.541 75.184 177 HB3 ARG 23 HB3 ARG 23 19.915 44.583 76.496 178 HG2 ARG 23 HG2 ARG 23 19.937 42.700 78.021 179 HG3 ARG 23 HG3 ARG 23 19.327 41.641 76.747 180 HD2 ARG 23 HD2 ARG 23 21.499 41.185 76.400 181 HD3 ARG 23 HD3 ARG 23 21.501 42.722 75.535 182 HH11 ARG 23 HH11 ARG 23 21.358 40.653 78.339 183 HH12 ARG 23 HH12 ARG 23 22.272 40.622 79.810 184 HH21 ARG 23 HH21 ARG 23 24.007 43.582 79.131 185 HH22 ARG 23 HH22 ARG 23 23.778 42.289 80.260 186 H ALA 24 H ALA 24 18.402 46.324 75.827 187 HA ALA 24 HA ALA 24 17.565 47.587 78.351 188 HB1 ALA 24 HB1 ALA 24 19.405 49.160 78.184 189 HB2 ALA 24 HB2 ALA 24 20.016 47.505 78.221 190 HB3 ALA 24 HB3 ALA 24 19.955 48.388 76.696 191 H GLY 25 H GLY 25 16.139 49.196 78.128 192 HA2 GLY 25 HA2 GLY 25 15.898 51.308 76.604 193 HA3 GLY 25 HA3 GLY 25 15.493 50.083 75.410 194 H SER 26 H SER 26 13.733 48.516 76.160 195 HA SER 26 HA SER 26 11.341 49.806 76.433 196 HG SER 26 HG SER 26 11.652 47.205 74.971 197 HB2 SER 26 HB2 SER 26 12.234 47.019 77.025 198 HB3 SER 26 HB3 SER 26 10.621 47.505 77.547 199 H MET 27 H MET 27 12.813 47.974 79.119 200 HA MET 27 HA MET 27 12.760 48.273 81.373 201 HB2 MET 27 HB2 MET 27 12.878 50.987 80.259 202 HB3 MET 27 HB3 MET 27 12.219 50.910 81.887 203 HG2 MET 27 HG2 MET 27 14.858 49.736 81.047 204 HG3 MET 27 HG3 MET 27 14.650 51.303 81.824 205 HE1 MET 27 HE1 MET 27 13.826 47.188 83.096 206 HE2 MET 27 HE2 MET 27 14.896 47.780 81.826 207 HE3 MET 27 HE3 MET 27 15.532 47.478 83.443 208 H ALA 28 H ALA 28 10.322 47.616 79.951 209 HA ALA 28 HA ALA 28 8.102 47.319 80.358 210 HB1 ALA 28 HB1 ALA 28 7.793 46.655 82.453 211 HB2 ALA 28 HB2 ALA 28 9.372 47.332 82.856 212 HB3 ALA 28 HB3 ALA 28 7.917 48.311 83.045 213 H LEU 29 H LEU 29 8.776 49.707 79.115 214 HA LEU 29 HA LEU 29 6.807 51.578 80.260 215 HG LEU 29 HG LEU 29 9.259 54.257 80.331 216 HB2 LEU 29 HB2 LEU 29 9.528 51.987 79.453 217 HB3 LEU 29 HB3 LEU 29 8.458 52.965 78.451 218 HD11 LEU 29 HD11 LEU 29 6.970 54.640 79.511 219 HD12 LEU 29 HD12 LEU 29 7.143 55.009 81.227 220 HD13 LEU 29 HD13 LEU 29 6.364 53.508 80.722 221 HD21 LEU 29 HD21 LEU 29 7.826 52.486 82.259 222 HD22 LEU 29 HD22 LEU 29 9.141 53.627 82.541 223 HD23 LEU 29 HD23 LEU 29 9.468 52.081 81.759 224 H GLN 30 H GLN 30 6.119 53.197 78.395 225 HA GLN 30 HA GLN 30 4.895 51.523 76.369 226 HB2 GLN 30 HB2 GLN 30 4.285 54.033 77.658 227 HB3 GLN 30 HB3 GLN 30 4.187 54.200 75.910 228 HG2 GLN 30 HG2 GLN 30 2.033 53.611 76.603 229 HG3 GLN 30 HG3 GLN 30 2.727 52.137 75.931 230 HE21 GLN 30 HE21 GLN 30 2.859 50.369 77.172 231 HE22 GLN 30 HE22 GLN 30 2.422 50.300 78.842 232 H GLY 31 H GLY 31 7.835 52.410 76.424 233 HA2 GLY 31 HA2 GLY 31 8.319 54.176 74.298 234 HA3 GLY 31 HA3 GLY 31 9.440 52.953 74.876 235 H ASP 32 H ASP 32 7.178 50.946 74.260 236 HA ASP 32 HA ASP 32 8.172 50.180 71.709 237 HB2 ASP 32 HB2 ASP 32 7.491 48.412 73.120 238 HB3 ASP 32 HB3 ASP 32 5.935 49.169 73.454 239 H VAL 33 H VAL 33 4.897 51.160 72.738 240 HA VAL 33 HA VAL 33 4.086 51.571 69.995 241 HB VAL 33 HB VAL 33 1.930 52.321 70.999 242 HG11 VAL 33 HG11 VAL 33 2.537 49.750 72.345 243 HG12 VAL 33 HG12 VAL 33 1.204 50.184 71.272 244 HG13 VAL 33 HG13 VAL 33 2.799 49.837 70.604 245 HG21 VAL 33 HG21 VAL 33 2.004 53.104 73.087 246 HG22 VAL 33 HG22 VAL 33 2.098 51.423 73.610 247 HG23 VAL 33 HG23 VAL 33 3.575 52.361 73.389 248 H LYS 34 H LYS 34 5.223 53.487 72.659 249 HA LYS 34 HA LYS 34 4.284 56.009 72.028 250 HB2 LYS 34 HB2 LYS 34 5.472 55.801 74.046 251 HB3 LYS 34 HB3 LYS 34 6.860 55.065 73.257 252 HG2 LYS 34 HG2 LYS 34 7.642 57.095 72.453 253 HG3 LYS 34 HG3 LYS 34 6.071 57.880 72.629 254 HD2 LYS 34 HD2 LYS 34 6.910 58.731 74.523 255 HD3 LYS 34 HD3 LYS 34 6.644 57.123 75.200 256 HE2 LYS 34 HE2 LYS 34 8.945 56.509 74.490 257 HE3 LYS 34 HE3 LYS 34 9.189 58.176 73.972 258 HZ1 LYS 34 HZ1 LYS 34 8.350 58.545 76.470 259 HZ2 LYS 34 HZ2 LYS 34 9.982 58.394 76.049 260 HZ3 LYS 34 HZ3 LYS 34 9.135 57.058 76.648 261 H VAL 35 H VAL 35 6.923 54.193 70.581 262 HA VAL 35 HA VAL 35 7.770 56.408 68.927 263 HB VAL 35 HB VAL 35 9.394 54.903 67.987 264 HG11 VAL 35 HG11 VAL 35 10.095 55.746 70.071 265 HG12 VAL 35 HG12 VAL 35 9.036 54.650 70.962 266 HG13 VAL 35 HG13 VAL 35 10.453 54.020 70.119 267 HG21 VAL 35 HG21 VAL 35 9.434 52.556 68.347 268 HG22 VAL 35 HG22 VAL 35 8.136 52.650 69.538 269 HG23 VAL 35 HG23 VAL 35 7.796 52.960 67.836 270 H TRP 36 H TRP 36 5.516 53.819 68.732 271 HA TRP 36 HA TRP 36 5.321 53.160 66.106 272 HD1 TRP 36 HD1 TRP 36 2.259 54.575 65.105 273 HE1 TRP 36 HE1 TRP 36 0.724 53.118 63.641 274 HE3 TRP 36 HE3 TRP 36 2.848 50.101 67.508 275 HZ2 TRP 36 HZ2 TRP 36 -0.125 50.429 63.518 276 HZ3 TRP 36 HZ3 TRP 36 1.640 48.135 66.654 277 HH2 TRP 36 HH2 TRP 36 0.184 48.299 64.701 278 HB2 TRP 36 HB2 TRP 36 3.819 52.276 67.831 279 HB3 TRP 36 HB3 TRP 36 3.006 53.835 67.935 280 H MET 37 H MET 37 3.852 56.047 67.592 281 HA MET 37 HA MET 37 2.782 57.096 65.211 282 HB2 MET 37 HB2 MET 37 2.814 59.288 66.507 283 HB3 MET 37 HB3 MET 37 1.921 57.958 67.231 284 HG2 MET 37 HG2 MET 37 4.465 57.683 68.268 285 HG3 MET 37 HG3 MET 37 4.205 59.426 68.232 286 HE1 MET 37 HE1 MET 37 1.117 56.584 69.955 287 HE2 MET 37 HE2 MET 37 2.202 56.311 68.592 288 HE3 MET 37 HE3 MET 37 2.764 56.018 70.238 289 H GLN 38 H GLN 38 5.769 57.954 66.958 290 HA GLN 38 HA GLN 38 6.722 59.842 65.148 291 HB2 GLN 38 HB2 GLN 38 8.634 59.852 66.394 292 HB3 GLN 38 HB3 GLN 38 7.587 58.999 67.521 293 HG2 GLN 38 HG2 GLN 38 9.233 57.497 67.585 294 HG3 GLN 38 HG3 GLN 38 8.566 56.941 66.052 295 HE21 GLN 38 HE21 GLN 38 10.748 56.153 65.696 296 HE22 GLN 38 HE22 GLN 38 11.939 57.231 65.061 297 H ASN 39 H ASN 39 6.670 56.386 64.966 298 HA ASN 39 HA ASN 39 8.719 56.059 63.028 299 HB2 ASN 39 HB2 ASN 39 6.574 54.378 64.193 300 HB3 ASN 39 HB3 ASN 39 7.152 53.902 62.599 301 HD21 ASN 39 HD21 ASN 39 7.874 54.133 65.953 302 HD22 ASN 39 HD22 ASN 39 9.396 53.316 65.905 303 H LEU 40 H LEU 40 5.189 56.349 62.796 304 HA LEU 40 HA LEU 40 5.248 56.262 59.912 305 HG LEU 40 HG LEU 40 3.315 55.967 63.063 306 HB2 LEU 40 HB2 LEU 40 2.796 57.264 61.104 307 HB3 LEU 40 HB3 LEU 40 3.060 55.869 60.059 308 HD11 LEU 40 HD11 LEU 40 1.602 53.931 62.024 309 HD12 LEU 40 HD12 LEU 40 1.129 55.491 61.352 310 HD13 LEU 40 HD13 LEU 40 1.211 55.274 63.100 311 HD21 LEU 40 HD21 LEU 40 4.294 54.018 61.056 312 HD22 LEU 40 HD22 LEU 40 3.532 53.372 62.510 313 HD23 LEU 40 HD23 LEU 40 4.935 54.432 62.647 314 H GLU 41 H GLU 41 5.238 58.673 62.410 315 HA GLU 41 HA GLU 41 4.248 60.895 61.107 316 HB2 GLU 41 HB2 GLU 41 5.368 60.487 63.521 317 HB3 GLU 41 HB3 GLU 41 6.698 61.313 62.721 318 HG2 GLU 41 HG2 GLU 41 4.785 62.995 62.040 319 HG3 GLU 41 HG3 GLU 41 4.015 62.325 63.477 320 H ASP 42 H ASP 42 7.537 59.574 61.004 321 HA ASP 42 HA ASP 42 8.421 61.587 59.129 322 HB2 ASP 42 HB2 ASP 42 9.724 60.032 60.964 323 HB3 ASP 42 HB3 ASP 42 10.090 59.186 59.463 324 H LEU 43 H LEU 43 7.833 58.080 59.044 325 HA LEU 43 HA LEU 43 8.477 57.627 56.378 326 HG LEU 43 HG LEU 43 6.816 54.252 56.713 327 HB2 LEU 43 HB2 LEU 43 7.960 55.923 58.162 328 HB3 LEU 43 HB3 LEU 43 6.254 56.253 57.872 329 HD11 LEU 43 HD11 LEU 43 6.903 56.250 54.497 330 HD12 LEU 43 HD12 LEU 43 5.492 56.172 55.552 331 HD13 LEU 43 HD13 LEU 43 5.981 54.752 54.626 332 HD21 LEU 43 HD21 LEU 43 9.235 54.532 56.650 333 HD22 LEU 43 HD22 LEU 43 9.067 55.803 55.438 334 HD23 LEU 43 HD23 LEU 43 8.605 54.145 55.048 335 H HIS 44 H HIS 44 5.204 58.104 57.722 336 HA HIS 44 HA HIS 44 3.710 58.160 55.460 337 HD1 HIS 44 HD1 HIS 44 0.570 58.522 58.192 338 HD2 HIS 44 HD2 HIS 44 1.765 60.127 54.551 339 HE1 HIS 44 HE1 HIS 44 -1.532 58.728 56.826 340 HB2 HIS 44 HB2 HIS 44 3.066 58.624 57.953 341 HB3 HIS 44 HB3 HIS 44 3.253 60.314 57.495 342 H THR 45 H THR 45 5.723 60.788 56.691 343 HA THR 45 HA THR 45 5.021 62.904 55.141 344 HB THR 45 HB THR 45 7.888 62.080 55.630 345 HG1 THR 45 HG1 THR 45 5.894 63.072 57.303 346 HG21 THR 45 HG21 THR 45 6.639 64.795 55.189 347 HG22 THR 45 HG22 THR 45 7.641 63.919 54.032 348 HG23 THR 45 HG23 THR 45 8.339 64.487 55.549 349 H ARG 46 H ARG 46 6.921 60.107 54.131 350 HA ARG 46 HA ARG 46 7.203 61.184 51.438 351 HE ARG 46 HE ARG 46 12.110 59.832 51.801 352 HB2 ARG 46 HB2 ARG 46 8.389 58.901 52.946 353 HB3 ARG 46 HB3 ARG 46 8.322 58.791 51.192 354 HG2 ARG 46 HG2 ARG 46 10.139 60.038 51.034 355 HG3 ARG 46 HG3 ARG 46 9.320 61.358 51.872 356 HD2 ARG 46 HD2 ARG 46 10.563 61.038 53.684 357 HD3 ARG 46 HD3 ARG 46 10.081 59.344 53.760 358 HH11 ARG 46 HH11 ARG 46 11.518 59.276 55.187 359 HH12 ARG 46 HH12 ARG 46 13.098 58.633 55.491 360 HH21 ARG 46 HH21 ARG 46 14.192 58.987 52.189 361 HH22 ARG 46 HH22 ARG 46 14.619 58.469 53.785 362 H ARG 47 H ARG 47 6.277 57.964 52.657 363 HA ARG 47 HA ARG 47 3.990 57.992 50.815 364 HE ARG 47 HE ARG 47 2.844 54.912 47.615 365 HB2 ARG 47 HB2 ARG 47 6.057 56.727 49.933 366 HB3 ARG 47 HB3 ARG 47 5.685 55.533 51.170 367 HG2 ARG 47 HG2 ARG 47 4.635 54.672 49.307 368 HG3 ARG 47 HG3 ARG 47 3.323 55.530 50.118 369 HD2 ARG 47 HD2 ARG 47 3.535 57.392 48.627 370 HD3 ARG 47 HD3 ARG 47 4.998 56.715 47.913 371 HH11 ARG 47 HH11 ARG 47 4.065 57.935 46.392 372 HH12 ARG 47 HH12 ARG 47 3.322 57.755 44.837 373 HH21 ARG 47 HH21 ARG 47 1.861 54.665 45.572 374 HH22 ARG 47 HH22 ARG 47 2.068 55.895 44.372 375 HA PRO 48 HA PRO 48 1.897 56.656 54.481 376 HB2 PRO 48 HB2 PRO 48 -0.481 56.068 53.312 377 HB3 PRO 48 HB3 PRO 48 0.055 57.723 53.620 378 HG2 PRO 48 HG2 PRO 48 0.160 56.141 51.081 379 HG3 PRO 48 HG3 PRO 48 -0.305 57.834 51.325 380 HD2 PRO 48 HD2 PRO 48 2.141 57.112 50.416 381 HD3 PRO 48 HD3 PRO 48 1.883 58.553 51.420 382 H ASP 49 H ASP 49 1.311 54.716 51.540 383 HA ASP 49 HA ASP 49 0.539 52.348 52.680 384 HB2 ASP 49 HB2 ASP 49 0.759 52.944 50.198 385 HB3 ASP 49 HB3 ASP 49 2.437 52.427 50.340 386 H GLU 50 H GLU 50 3.704 53.769 52.649 387 HA GLU 50 HA GLU 50 4.978 51.318 53.568 388 HB2 GLU 50 HB2 GLU 50 5.919 53.989 52.652 389 HB3 GLU 50 HB3 GLU 50 6.955 53.098 53.756 390 HG2 GLU 50 HG2 GLU 50 6.844 51.167 52.181 391 HG3 GLU 50 HG3 GLU 50 5.992 52.215 51.049 392 H PHE 51 H PHE 51 3.599 54.196 54.846 393 HA PHE 51 HA PHE 51 4.931 54.683 57.176 394 HD1 PHE 51 HD1 PHE 51 2.625 53.999 59.554 395 HD2 PHE 51 HD2 PHE 51 0.377 54.766 56.023 396 HE1 PHE 51 HE1 PHE 51 0.661 52.927 60.577 397 HE2 PHE 51 HE2 PHE 51 -1.592 53.697 57.041 398 HZ PHE 51 HZ PHE 51 -1.452 52.777 59.321 399 HB2 PHE 51 HB2 PHE 51 3.131 55.929 57.731 400 HB3 PHE 51 HB3 PHE 51 2.542 55.489 56.131 401 H THR 52 H THR 52 2.693 52.043 56.516 402 HA THR 52 HA THR 52 2.720 51.058 59.213 403 HB THR 52 HB THR 52 1.423 49.200 58.401 404 HG1 THR 52 HG1 THR 52 1.040 49.192 56.003 405 HG21 THR 52 HG21 THR 52 0.742 51.902 57.320 406 HG22 THR 52 HG22 THR 52 -0.024 50.989 58.620 407 HG23 THR 52 HG23 THR 52 -0.292 50.526 56.939 408 H ALA 53 H ALA 53 4.687 50.661 56.414 409 HA ALA 53 HA ALA 53 5.784 48.114 56.998 410 HB1 ALA 53 HB1 ALA 53 7.557 48.745 55.416 411 HB2 ALA 53 HB2 ALA 53 5.945 49.076 54.779 412 HB3 ALA 53 HB3 ALA 53 6.938 50.397 55.399 413 H ARG 54 H ARG 54 6.272 51.225 58.352 414 HA ARG 54 HA ARG 54 8.936 50.823 59.300 415 HE ARG 54 HE ARG 54 11.859 54.165 60.341 416 HB2 ARG 54 HB2 ARG 54 7.656 53.044 58.968 417 HB3 ARG 54 HB3 ARG 54 6.952 52.707 60.545 418 HG2 ARG 54 HG2 ARG 54 8.703 53.854 61.326 419 HG3 ARG 54 HG3 ARG 54 9.593 52.354 61.061 420 HD2 ARG 54 HD2 ARG 54 9.643 53.544 58.585 421 HD3 ARG 54 HD3 ARG 54 9.778 54.918 59.681 422 HH11 ARG 54 HH11 ARG 54 10.288 51.779 58.353 423 HH12 ARG 54 HH12 ARG 54 11.716 50.818 58.150 424 HH21 ARG 54 HH21 ARG 54 13.745 52.910 60.081 425 HH22 ARG 54 HH22 ARG 54 13.681 51.463 59.134 426 H LEU 55 H LEU 55 5.904 51.139 61.157 427 HA LEU 55 HA LEU 55 7.000 49.914 63.472 428 HG LEU 55 HG LEU 55 2.803 50.646 63.283 429 HB2 LEU 55 HB2 LEU 55 4.913 50.212 64.456 430 HB3 LEU 55 HB3 LEU 55 5.045 51.544 63.310 431 HD11 LEU 55 HD11 LEU 55 4.468 50.061 60.852 432 HD12 LEU 55 HD12 LEU 55 3.472 51.478 61.186 433 HD13 LEU 55 HD13 LEU 55 2.710 49.921 60.858 434 HD21 LEU 55 HD21 LEU 55 2.260 48.457 63.223 435 HD22 LEU 55 HD22 LEU 55 3.886 48.255 63.874 436 HD23 LEU 55 HD23 LEU 55 3.596 48.043 62.148 437 H GLN 56 H GLN 56 5.665 48.671 60.587 438 HA GLN 56 HA GLN 56 4.636 46.219 61.585 439 HB2 GLN 56 HB2 GLN 56 3.860 46.878 59.457 440 HB3 GLN 56 HB3 GLN 56 5.489 47.154 58.856 441 HG2 GLN 56 HG2 GLN 56 5.864 44.948 58.435 442 HG3 GLN 56 HG3 GLN 56 4.766 44.406 59.705 443 HE21 GLN 56 HE21 GLN 56 3.057 43.408 58.950 444 HE22 GLN 56 HE22 GLN 56 2.238 43.753 57.469 445 H GLN 57 H GLN 57 7.807 47.304 60.595 446 HA GLN 57 HA GLN 57 9.046 44.804 60.280 447 HB2 GLN 57 HB2 GLN 57 10.002 47.576 60.842 448 HB3 GLN 57 HB3 GLN 57 11.132 46.242 61.036 449 HG2 GLN 57 HG2 GLN 57 10.118 45.653 58.615 450 HG3 GLN 57 HG3 GLN 57 9.978 47.410 58.596 451 HE21 GLN 57 HE21 GLN 57 11.601 46.260 56.799 452 HE22 GLN 57 HE22 GLN 57 13.258 46.540 57.197 453 H SER 58 H SER 58 8.790 46.928 63.117 454 HA SER 58 HA SER 58 10.097 44.985 64.813 455 HG SER 58 HG SER 58 8.934 48.708 65.121 456 HB2 SER 58 HB2 SER 58 9.641 46.639 66.620 457 HB3 SER 58 HB3 SER 58 10.506 47.337 65.251 458 H THR 59 H THR 59 6.924 46.609 64.976 459 HA THR 59 HA THR 59 5.689 45.139 66.888 460 HB THR 59 HB THR 59 4.431 46.061 64.297 461 HG1 THR 59 HG1 THR 59 4.134 47.379 66.758 462 HG21 THR 59 HG21 THR 59 2.311 45.993 65.500 463 HG22 THR 59 HG22 THR 59 3.126 45.358 66.929 464 HG23 THR 59 HG23 THR 59 3.047 44.391 65.456 465 H ASP 60 H ASP 60 6.604 44.054 63.733 466 HA ASP 60 HA ASP 60 4.938 41.955 63.201 467 HB2 ASP 60 HB2 ASP 60 7.513 42.776 62.365 468 HB3 ASP 60 HB3 ASP 60 7.634 41.065 62.767 469 H ALA 61 H ALA 61 7.707 41.950 65.418 470 HA ALA 61 HA ALA 61 7.565 39.234 66.136 471 HB1 ALA 61 HB1 ALA 61 8.603 40.449 68.357 472 HB2 ALA 61 HB2 ALA 61 9.524 39.957 66.935 473 HB3 ALA 61 HB3 ALA 61 8.956 41.620 67.086 474 H LEU 62 H LEU 62 6.026 42.116 67.485 475 HA LEU 62 HA LEU 62 4.906 40.883 69.758 476 HG LEU 62 HG LEU 62 2.662 42.169 70.441 477 HB2 LEU 62 HB2 LEU 62 5.017 43.236 69.736 478 HB3 LEU 62 HB3 LEU 62 4.185 43.338 68.185 479 HD11 LEU 62 HD11 LEU 62 4.052 44.522 70.896 480 HD12 LEU 62 HD12 LEU 62 2.644 43.940 71.783 481 HD13 LEU 62 HD13 LEU 62 2.436 45.053 70.432 482 HD21 LEU 62 HD21 LEU 62 1.236 42.352 68.711 483 HD22 LEU 62 HD22 LEU 62 2.196 43.600 67.916 484 HD23 LEU 62 HD23 LEU 62 1.108 44.031 69.237 485 H TYR 63 H TYR 63 3.700 41.350 66.469 486 HA TYR 63 HA TYR 63 1.112 40.272 66.998 487 HD1 TYR 63 HD1 TYR 63 -0.594 39.466 64.347 488 HD2 TYR 63 HD2 TYR 63 3.491 39.785 63.202 489 HE1 TYR 63 HE1 TYR 63 -0.972 37.815 62.564 490 HE2 TYR 63 HE2 TYR 63 3.123 38.136 61.413 491 HH TYR 63 HH TYR 63 0.640 37.411 60.062 492 HB2 TYR 63 HB2 TYR 63 0.824 41.377 65.065 493 HB3 TYR 63 HB3 TYR 63 2.549 41.366 64.717 494 H SER 64 H SER 64 4.027 38.983 65.419 495 HA SER 64 HA SER 64 2.975 36.426 64.882 496 HG SER 64 HG SER 64 6.046 35.460 63.643 497 HB2 SER 64 HB2 SER 64 5.167 37.619 64.037 498 HB3 SER 64 HB3 SER 64 5.896 36.807 65.421 499 H HIS 65 H HIS 65 4.849 37.687 67.609 500 HA HIS 65 HA HIS 65 5.317 35.350 69.005 501 HD1 HIS 65 HD1 HIS 65 4.389 37.895 72.631 502 HD2 HIS 65 HD2 HIS 65 6.975 34.998 71.152 503 HE1 HIS 65 HE1 HIS 65 5.187 36.616 74.644 504 HB2 HIS 65 HB2 HIS 65 6.220 37.560 69.643 505 HB3 HIS 65 HB3 HIS 65 4.616 38.046 70.186 506 H LEU 66 H LEU 66 2.399 37.332 68.920 507 HA LEU 66 HA LEU 66 1.035 35.770 70.906 508 HG LEU 66 HG LEU 66 -1.609 36.285 70.700 509 HB2 LEU 66 HB2 LEU 66 0.635 38.218 70.330 510 HB3 LEU 66 HB3 LEU 66 -0.236 37.630 68.915 511 HD11 LEU 66 HD11 LEU 66 -1.669 38.293 72.604 512 HD12 LEU 66 HD12 LEU 66 0.049 38.019 72.320 513 HD13 LEU 66 HD13 LEU 66 -0.991 36.677 72.799 514 HD21 LEU 66 HD21 LEU 66 -1.827 39.124 69.830 515 HD22 LEU 66 HD22 LEU 66 -2.968 38.511 71.027 516 HD23 LEU 66 HD23 LEU 66 -2.852 37.741 69.445 517 H GLU 67 H GLU 67 0.447 36.279 67.420 518 HA GLU 67 HA GLU 67 -1.476 34.333 67.055 519 HB2 GLU 67 HB2 GLU 67 -0.595 36.076 65.392 520 HB3 GLU 67 HB3 GLU 67 0.652 34.899 65.002 521 HG2 GLU 67 HG2 GLU 67 -1.415 33.307 64.678 522 HG3 GLU 67 HG3 GLU 67 -2.263 34.834 64.438 523 H ALA 68 H ALA 68 2.001 33.993 67.276 524 HA ALA 68 HA ALA 68 1.959 31.208 66.494 525 HB1 ALA 68 HB1 ALA 68 3.861 33.030 66.221 526 HB2 ALA 68 HB2 ALA 68 4.342 32.404 67.798 527 HB3 ALA 68 HB3 ALA 68 4.234 31.316 66.414 528 H GLN 69 H GLN 69 2.953 32.944 69.452 529 HA GLN 69 HA GLN 69 3.102 30.633 71.057 530 HB2 GLN 69 HB2 GLN 69 4.169 32.857 71.548 531 HB3 GLN 69 HB3 GLN 69 2.580 33.453 72.006 532 HG2 GLN 69 HG2 GLN 69 3.840 32.833 73.966 533 HG3 GLN 69 HG3 GLN 69 2.455 31.760 73.766 534 HE21 GLN 69 HE21 GLN 69 5.738 31.927 74.314 535 HE22 GLN 69 HE22 GLN 69 6.145 30.278 74.006 536 H TRP 70 H TRP 70 0.605 33.176 70.928 537 HA TRP 70 HA TRP 70 -1.181 31.993 72.716 538 HD1 TRP 70 HD1 TRP 70 -4.584 33.135 70.518 539 HE1 TRP 70 HE1 TRP 70 -6.355 33.504 72.349 540 HE3 TRP 70 HE3 TRP 70 -1.492 34.347 74.405 541 HZ2 TRP 70 HZ2 TRP 70 -6.431 34.216 75.080 542 HZ3 TRP 70 HZ3 TRP 70 -2.495 34.860 76.594 543 HH2 TRP 70 HH2 TRP 70 -4.913 34.796 76.922 544 HB2 TRP 70 HB2 TRP 70 -1.242 34.353 71.736 545 HB3 TRP 70 HB3 TRP 70 -2.033 33.635 70.334 546 H ALA 71 H ALA 71 -0.588 31.371 69.335 547 HA ALA 71 HA ALA 71 -2.865 30.102 68.500 548 HB1 ALA 71 HB1 ALA 71 -0.741 28.515 67.552 549 HB2 ALA 71 HB2 ALA 71 -1.561 29.841 66.726 550 HB3 ALA 71 HB3 ALA 71 -0.123 30.161 67.697 551 H LYS 72 H LYS 72 -0.284 28.778 70.519 552 HA LYS 72 HA LYS 72 -0.843 26.126 70.613 553 HB2 LYS 72 HB2 LYS 72 -0.036 28.039 72.782 554 HB3 LYS 72 HB3 LYS 72 -0.292 26.338 73.147 555 HG2 LYS 72 HG2 LYS 72 1.559 27.235 70.964 556 HG3 LYS 72 HG3 LYS 72 2.082 27.077 72.642 557 HD2 LYS 72 HD2 LYS 72 2.492 24.932 72.190 558 HD3 LYS 72 HD3 LYS 72 0.742 24.705 72.125 559 HE2 LYS 72 HE2 LYS 72 1.101 23.994 70.033 560 HE3 LYS 72 HE3 LYS 72 1.283 25.703 69.639 561 HZ1 LYS 72 HZ1 LYS 72 3.249 23.620 69.657 562 HZ2 LYS 72 HZ2 LYS 72 3.745 24.976 70.539 563 HZ3 LYS 72 HZ3 LYS 72 3.295 25.140 68.917 564 H GLN 73 H GLN 73 -2.839 28.700 71.798 565 HA GLN 73 HA GLN 73 -4.470 27.229 73.563 566 HB2 GLN 73 HB2 GLN 73 -4.827 29.784 72.031 567 HB3 GLN 73 HB3 GLN 73 -6.173 29.095 72.931 568 HG2 GLN 73 HG2 GLN 73 -3.641 29.328 74.410 569 HG3 GLN 73 HG3 GLN 73 -4.407 30.848 73.952 570 HE21 GLN 73 HE21 GLN 73 -6.032 31.581 75.153 571 HE22 GLN 73 HE22 GLN 73 -6.831 30.695 76.402 572 H HIS 74 H HIS 74 -5.189 28.297 70.233 573 HA HIS 74 HA HIS 74 -6.711 25.817 69.846 574 HD1 HIS 74 HD1 HIS 74 -7.532 28.013 72.166 575 HD2 HIS 74 HD2 HIS 74 -10.621 26.504 69.832 576 HE1 HIS 74 HE1 HIS 74 -9.379 27.450 73.777 577 HB2 HIS 74 HB2 HIS 74 -7.672 28.629 69.344 578 HB3 HIS 74 HB3 HIS 74 -8.386 27.242 68.527 579 H GLY 75 H GLY 75 -5.480 28.735 68.208 580 HA2 GLY 75 HA2 GLY 75 -4.063 28.827 66.360 581 HA3 GLY 75 HA3 GLY 75 -4.171 27.078 66.224 582 H THR 76 H THR 76 -7.217 27.477 66.396 583 HA THR 76 HA THR 76 -7.583 27.697 63.524 584 HB THR 76 HB THR 76 -9.243 26.246 63.832 585 HG1 THR 76 HG1 THR 76 -10.991 27.350 64.264 586 HG21 THR 76 HG21 THR 76 -9.345 25.016 65.808 587 HG22 THR 76 HG22 THR 76 -9.026 26.425 66.818 588 HG23 THR 76 HG23 THR 76 -7.727 25.714 65.860 589 HA PRO 77 HA PRO 77 -10.554 31.191 65.085 590 HB2 PRO 77 HB2 PRO 77 -10.230 32.012 67.652 591 HB3 PRO 77 HB3 PRO 77 -11.339 30.716 67.191 592 HG2 PRO 77 HG2 PRO 77 -8.573 30.529 68.322 593 HG3 PRO 77 HG3 PRO 77 -10.018 29.588 68.737 594 HD2 PRO 77 HD2 PRO 77 -8.075 28.633 67.111 595 HD3 PRO 77 HD3 PRO 77 -9.783 28.190 66.920 596 HA PRO 78 HA PRO 78 -6.631 33.802 66.395 597 HB2 PRO 78 HB2 PRO 78 -4.291 32.475 66.025 598 HB3 PRO 78 HB3 PRO 78 -5.159 32.481 67.565 599 HG2 PRO 78 HG2 PRO 78 -5.122 30.394 65.421 600 HG3 PRO 78 HG3 PRO 78 -5.034 30.192 67.179 601 HD2 PRO 78 HD2 PRO 78 -7.321 29.809 65.782 602 HD3 PRO 78 HD3 PRO 78 -7.311 30.425 67.446 603 H THR 79 H THR 79 -6.315 35.192 64.785 604 HA THR 79 HA THR 79 -5.069 34.319 62.309 605 HB THR 79 HB THR 79 -7.645 35.873 62.132 606 HG1 THR 79 HG1 THR 79 -8.030 33.750 63.004 607 HG21 THR 79 HG21 THR 79 -5.896 35.874 60.272 608 HG22 THR 79 HG22 THR 79 -7.540 35.425 59.820 609 HG23 THR 79 HG23 THR 79 -6.312 34.178 60.034 610 H ALA 80 H ALA 80 -4.195 36.039 61.066 611 HA ALA 80 HA ALA 80 -2.946 38.058 62.415 612 HB1 ALA 80 HB1 ALA 80 -2.207 38.819 60.392 613 HB2 ALA 80 HB2 ALA 80 -2.775 37.217 59.923 614 HB3 ALA 80 HB3 ALA 80 -3.782 38.634 59.620 615 H SER 81 H SER 81 -6.224 37.992 61.261 616 HA SER 81 HA SER 81 -6.659 40.821 61.504 617 HG SER 81 HG SER 81 -7.073 39.762 59.434 618 HB2 SER 81 HB2 SER 81 -8.502 38.467 61.095 619 HB3 SER 81 HB3 SER 81 -9.106 40.114 61.285 620 H ASP 82 H ASP 82 -6.976 38.026 63.559 621 HA ASP 82 HA ASP 82 -8.428 39.519 65.594 622 HB2 ASP 82 HB2 ASP 82 -7.405 36.673 65.666 623 HB3 ASP 82 HB3 ASP 82 -8.523 37.409 66.810 624 H VAL 83 H VAL 83 -5.341 37.761 65.316 625 HA VAL 83 HA VAL 83 -4.264 38.287 67.787 626 HB VAL 83 HB VAL 83 -2.676 38.366 65.222 627 HG11 VAL 83 HG11 VAL 83 -1.889 38.703 67.857 628 HG12 VAL 83 HG12 VAL 83 -1.508 37.016 67.505 629 HG13 VAL 83 HG13 VAL 83 -0.847 38.301 66.492 630 HG21 VAL 83 HG21 VAL 83 -2.471 35.808 66.168 631 HG22 VAL 83 HG22 VAL 83 -4.164 36.189 66.486 632 HG23 VAL 83 HG23 VAL 83 -3.522 36.323 64.849 633 H VAL 84 H VAL 84 -4.878 40.502 65.227 634 HA VAL 84 HA VAL 84 -3.003 42.511 66.001 635 HB VAL 84 HB VAL 84 -4.398 44.019 64.566 636 HG11 VAL 84 HG11 VAL 84 -4.067 42.390 62.476 637 HG12 VAL 84 HG12 VAL 84 -2.717 43.175 63.297 638 HG13 VAL 84 HG13 VAL 84 -3.125 41.501 63.672 639 HG21 VAL 84 HG21 VAL 84 -6.462 43.474 63.933 640 HG22 VAL 84 HG22 VAL 84 -5.924 41.909 63.324 641 HG23 VAL 84 HG23 VAL 84 -6.363 42.092 65.024 642 H GLY 85 H GLY 85 -6.281 41.701 66.904 643 HA2 GLY 85 HA2 GLY 85 -6.247 43.977 68.790 644 HA3 GLY 85 HA3 GLY 85 -7.710 43.469 67.958 645 H MET 86 H MET 86 -6.044 40.715 68.610 646 HA MET 86 HA MET 86 -7.846 39.969 70.711 647 HB2 MET 86 HB2 MET 86 -7.289 38.275 69.137 648 HB3 MET 86 HB3 MET 86 -5.565 38.550 69.342 649 HG2 MET 86 HG2 MET 86 -5.535 37.514 71.441 650 HG3 MET 86 HG3 MET 86 -7.289 37.588 71.595 651 HE1 MET 86 HE1 MET 86 -4.678 36.646 69.099 652 HE2 MET 86 HE2 MET 86 -4.315 35.159 69.977 653 HE3 MET 86 HE3 MET 86 -5.169 35.086 68.435 654 HA PRO 87 HA PRO 87 -3.630 40.033 73.155 655 HB2 PRO 87 HB2 PRO 87 -1.817 41.829 72.227 656 HB3 PRO 87 HB3 PRO 87 -1.854 40.143 71.700 657 HG2 PRO 87 HG2 PRO 87 -2.948 42.576 70.341 658 HG3 PRO 87 HG3 PRO 87 -2.052 41.213 69.645 659 HD2 PRO 87 HD2 PRO 87 -4.744 41.429 69.467 660 HD3 PRO 87 HD3 PRO 87 -3.917 39.862 69.569 661 H GLN 88 H GLN 88 -2.274 42.166 74.098 662 HA GLN 88 HA GLN 88 -4.367 43.757 75.261 663 HB2 GLN 88 HB2 GLN 88 -2.303 44.887 76.369 664 HB3 GLN 88 HB3 GLN 88 -2.724 43.237 76.813 665 HG2 GLN 88 HG2 GLN 88 -0.942 43.226 74.569 666 HG3 GLN 88 HG3 GLN 88 -0.267 44.192 75.879 667 HE21 GLN 88 HE21 GLN 88 0.546 43.195 77.628 668 HE22 GLN 88 HE22 GLN 88 0.545 41.485 77.873 669 H TRP 89 H TRP 89 -1.392 44.569 73.466 670 HA TRP 89 HA TRP 89 -1.659 47.248 73.164 671 HD1 TRP 89 HD1 TRP 89 -1.677 45.208 69.100 672 HE1 TRP 89 HE1 TRP 89 -1.281 42.701 68.673 673 HE3 TRP 89 HE3 TRP 89 0.785 44.027 73.422 674 HZ2 TRP 89 HZ2 TRP 89 -0.084 40.513 69.993 675 HZ3 TRP 89 HZ3 TRP 89 1.521 41.704 73.763 676 HH2 TRP 89 HH2 TRP 89 1.095 39.985 72.083 677 HB2 TRP 89 HB2 TRP 89 -0.623 46.917 70.846 678 HB3 TRP 89 HB3 TRP 89 0.256 46.246 72.217 679 H GLN 90 H GLN 90 -3.801 44.876 71.964 680 HA GLN 90 HA GLN 90 -4.919 45.773 69.695 681 HB2 GLN 90 HB2 GLN 90 -5.949 43.914 70.678 682 HB3 GLN 90 HB3 GLN 90 -6.225 44.753 72.198 683 HG2 GLN 90 HG2 GLN 90 -7.655 46.242 70.373 684 HG3 GLN 90 HG3 GLN 90 -7.892 44.581 69.833 685 HE21 GLN 90 HE21 GLN 90 -9.220 46.901 71.638 686 HE22 GLN 90 HE22 GLN 90 -10.060 45.951 72.811 687 H GLU 91 H GLU 91 -5.730 47.090 72.905 688 HA GLU 91 HA GLU 91 -7.275 49.231 71.760 689 HB2 GLU 91 HB2 GLU 91 -6.924 48.063 74.352 690 HB3 GLU 91 HB3 GLU 91 -6.651 49.796 74.467 691 HG2 GLU 91 HG2 GLU 91 -8.818 50.230 73.472 692 HG3 GLU 91 HG3 GLU 91 -9.093 48.500 73.277 693 H TYR 92 H TYR 92 -4.222 49.029 73.582 694 HA TYR 92 HA TYR 92 -3.486 51.656 73.662 695 HD1 TYR 92 HD1 TYR 92 -2.933 51.795 75.604 696 HD2 TYR 92 HD2 TYR 92 -1.228 47.939 75.039 697 HE1 TYR 92 HE1 TYR 92 -3.130 51.362 78.017 698 HE2 TYR 92 HE2 TYR 92 -1.419 47.495 77.450 699 HH TYR 92 HH TYR 92 -2.383 48.209 79.384 700 HB2 TYR 92 HB2 TYR 92 -1.757 49.227 73.174 701 HB3 TYR 92 HB3 TYR 92 -1.106 50.826 73.517 702 H THR 93 H THR 93 -2.400 49.431 71.090 703 HA THR 93 HA THR 93 -1.209 51.176 69.387 704 HB THR 93 HB THR 93 -1.639 48.624 69.122 705 HG1 THR 93 HG1 THR 93 -0.555 50.286 67.628 706 HG21 THR 93 HG21 THR 93 -3.890 49.736 67.442 707 HG22 THR 93 HG22 THR 93 -4.090 48.815 68.932 708 HG23 THR 93 HG23 THR 93 -3.373 48.052 67.514 709 H ALA 94 H ALA 94 -4.661 50.732 69.853 710 HA ALA 94 HA ALA 94 -5.355 52.503 67.674 711 HB1 ALA 94 HB1 ALA 94 -7.097 51.095 67.811 712 HB2 ALA 94 HB2 ALA 94 -6.790 50.718 69.506 713 HB3 ALA 94 HB3 ALA 94 -7.662 52.188 69.073 714 H MET 95 H MET 95 -4.975 52.668 71.145 715 HA MET 95 HA MET 95 -6.350 55.050 71.657 716 HB2 MET 95 HB2 MET 95 -4.629 53.288 73.079 717 HB3 MET 95 HB3 MET 95 -4.032 54.925 73.317 718 HG2 MET 95 HG2 MET 95 -5.514 55.003 74.977 719 HG3 MET 95 HG3 MET 95 -6.695 55.270 73.697 720 HE1 MET 95 HE1 MET 95 -8.603 54.534 75.169 721 HE2 MET 95 HE2 MET 95 -8.807 52.940 75.896 722 HE3 MET 95 HE3 MET 95 -7.638 54.074 76.573 723 H LEU 96 H LEU 96 -3.340 54.470 70.079 724 HA LEU 96 HA LEU 96 -2.127 56.992 70.488 725 HG LEU 96 HG LEU 96 -1.586 53.689 69.817 726 HB2 LEU 96 HB2 LEU 96 -1.733 55.326 68.028 727 HB3 LEU 96 HB3 LEU 96 -0.573 56.364 68.855 728 HD11 LEU 96 HD11 LEU 96 1.111 54.570 68.800 729 HD12 LEU 96 HD12 LEU 96 -0.020 53.496 67.977 730 HD13 LEU 96 HD13 LEU 96 0.741 52.987 69.484 731 HD21 LEU 96 HD21 LEU 96 -1.069 54.450 71.849 732 HD22 LEU 96 HD22 LEU 96 -0.297 55.898 71.203 733 HD23 LEU 96 HD23 LEU 96 0.613 54.392 71.320 734 H ARG 97 H ARG 97 -3.875 55.703 67.656 735 HA ARG 97 HA ARG 97 -4.047 58.320 66.461 736 HE ARG 97 HE ARG 97 -6.502 53.375 64.281 737 HB2 ARG 97 HB2 ARG 97 -5.397 57.136 64.722 738 HB3 ARG 97 HB3 ARG 97 -3.799 56.450 64.979 739 HG2 ARG 97 HG2 ARG 97 -5.373 55.018 66.718 740 HG3 ARG 97 HG3 ARG 97 -6.424 55.252 65.319 741 HD2 ARG 97 HD2 ARG 97 -3.906 54.595 64.283 742 HD3 ARG 97 HD3 ARG 97 -4.163 53.500 65.640 743 HH11 ARG 97 HH11 ARG 97 -3.165 52.983 63.365 744 HH12 ARG 97 HH12 ARG 97 -3.510 51.856 62.096 745 HH21 ARG 97 HH21 ARG 97 -6.968 51.891 62.611 746 HH22 ARG 97 HH22 ARG 97 -5.674 51.236 61.668 747 H GLU 98 H GLU 98 -6.008 56.328 68.500 748 HA GLU 98 HA GLU 98 -8.437 57.822 67.970 749 HB2 GLU 98 HB2 GLU 98 -8.715 55.482 68.410 750 HB3 GLU 98 HB3 GLU 98 -7.778 55.592 69.894 751 HG2 GLU 98 HG2 GLU 98 -9.515 56.930 70.925 752 HG3 GLU 98 HG3 GLU 98 -10.444 56.910 69.427 753 H ARG 99 H ARG 99 -6.364 57.235 70.814 754 HA ARG 99 HA ARG 99 -7.590 59.433 72.241 755 HE ARG 99 HE ARG 99 -6.607 59.202 76.792 756 HB2 ARG 99 HB2 ARG 99 -6.178 57.098 72.957 757 HB3 ARG 99 HB3 ARG 99 -5.195 58.453 73.496 758 HG2 ARG 99 HG2 ARG 99 -8.077 57.941 74.201 759 HG3 ARG 99 HG3 ARG 99 -6.678 57.740 75.260 760 HD2 ARG 99 HD2 ARG 99 -6.444 60.336 74.334 761 HD3 ARG 99 HD3 ARG 99 -8.178 60.135 74.584 762 HH11 ARG 99 HH11 ARG 99 -8.061 62.001 75.321 763 HH12 ARG 99 HH12 ARG 99 -8.167 62.889 76.805 764 HH21 ARG 99 HH21 ARG 99 -6.740 60.360 78.753 765 HH22 ARG 99 HH22 ARG 99 -7.414 61.955 78.757 766 H PHE 100 H PHE 100 -5.832 59.704 69.733 767 HA PHE 100 HA PHE 100 -3.430 60.964 70.364 768 HD1 PHE 100 HD1 PHE 100 -6.966 60.783 68.660 769 HD2 PHE 100 HD2 PHE 100 -4.185 63.402 66.783 770 HE1 PHE 100 HE1 PHE 100 -8.826 61.997 67.603 771 HE2 PHE 100 HE2 PHE 100 -6.041 64.621 65.724 772 HZ PHE 100 HZ PHE 100 -8.366 63.919 66.134 773 HB2 PHE 100 HB2 PHE 100 -3.394 61.748 68.143 774 HB3 PHE 100 HB3 PHE 100 -4.325 60.255 68.066 775 H ALA 101 H ALA 101 -3.207 62.599 71.743 776 HA ALA 101 HA ALA 101 -5.132 64.827 71.594 777 HB1 ALA 101 HB1 ALA 101 -4.016 63.370 73.865 778 HB2 ALA 101 HB2 ALA 101 -3.902 65.123 74.022 779 HB3 ALA 101 HB3 ALA 101 -5.471 64.362 73.755 780 H GLY 102 H GLY 102 -1.749 63.901 71.803 781 HA2 GLY 102 HA2 GLY 102 -0.866 66.209 70.433 782 HA3 GLY 102 HA3 GLY 102 -0.587 66.415 72.155 783 H LEU 103 H LEU 103 -0.411 63.374 70.381 784 HA LEU 103 HA LEU 103 2.343 63.062 71.293 785 HG LEU 103 HG LEU 103 -0.539 61.673 69.526 786 HB2 LEU 103 HB2 LEU 103 2.076 60.725 70.546 787 HB3 LEU 103 HB3 LEU 103 0.882 61.219 71.745 788 HD11 LEU 103 HD11 LEU 103 0.164 60.654 67.682 789 HD12 LEU 103 HD12 LEU 103 0.514 59.162 68.554 790 HD13 LEU 103 HD13 LEU 103 1.720 60.447 68.487 791 HD21 LEU 103 HD21 LEU 103 -1.673 59.630 69.963 792 HD22 LEU 103 HD22 LEU 103 -1.059 60.220 71.508 793 HD23 LEU 103 HD23 LEU 103 -0.230 58.906 70.674 794 H ASP 104 H ASP 104 0.460 63.008 68.294 795 HA ASP 104 HA ASP 104 2.202 62.287 66.388 796 HB2 ASP 104 HB2 ASP 104 0.040 64.270 66.508 797 HB3 ASP 104 HB3 ASP 104 1.212 64.568 65.228 798 H THR 105 H THR 105 2.210 65.451 67.990 799 HA THR 105 HA THR 105 4.089 66.839 66.623 800 HB THR 105 HB THR 105 3.005 67.738 68.620 801 HG1 THR 105 HG1 THR 105 4.726 68.977 68.297 802 HG21 THR 105 HG21 THR 105 4.880 65.957 70.180 803 HG22 THR 105 HG22 THR 105 3.142 65.712 70.016 804 HG23 THR 105 HG23 THR 105 3.756 67.137 70.855 805 H ILE 106 H ILE 106 4.761 64.339 69.055 806 HA ILE 106 HA ILE 106 7.576 64.349 68.196 807 HB ILE 106 HB ILE 106 8.104 63.223 70.294 808 HG12 ILE 106 HG12 ILE 106 6.151 63.263 72.034 809 HG13 ILE 106 HG13 ILE 106 5.120 63.255 70.608 810 HG21 ILE 106 HG21 ILE 106 6.936 65.874 70.104 811 HG22 ILE 106 HG22 ILE 106 6.850 65.215 71.737 812 HG23 ILE 106 HG23 ILE 106 8.407 65.343 70.918 813 HD11 ILE 106 HD11 ILE 106 5.905 61.036 71.829 814 HD12 ILE 106 HD12 ILE 106 5.627 61.114 70.089 815 HD13 ILE 106 HD13 ILE 106 7.268 61.229 70.726 Start of MODEL 12 1 H LYS 1 H LYS 1 5.785 77.344 65.598 2 HA LYS 1 HA LYS 1 6.762 77.801 67.603 3 HB2 LYS 1 HB2 LYS 1 9.095 78.486 65.804 4 HB3 LYS 1 HB3 LYS 1 9.202 78.229 67.541 5 HG2 LYS 1 HG2 LYS 1 8.454 75.922 67.247 6 HG3 LYS 1 HG3 LYS 1 8.346 76.181 65.504 7 HD2 LYS 1 HD2 LYS 1 10.906 77.020 66.145 8 HD3 LYS 1 HD3 LYS 1 10.661 75.597 67.160 9 HE2 LYS 1 HE2 LYS 1 11.493 74.663 65.220 10 HE3 LYS 1 HE3 LYS 1 9.753 74.522 64.973 11 HZ1 LYS 1 HZ1 LYS 1 11.199 75.441 63.081 12 HZ2 LYS 1 HZ2 LYS 1 11.220 76.877 63.976 13 HZ3 LYS 1 HZ3 LYS 1 9.750 76.235 63.441 14 H GLN 2 H GLN 2 5.171 79.870 66.637 15 HA GLN 2 HA GLN 2 6.643 82.341 67.113 16 HB2 GLN 2 HB2 GLN 2 4.566 83.467 66.456 17 HB3 GLN 2 HB3 GLN 2 5.072 82.298 65.244 18 HG2 GLN 2 HG2 GLN 2 3.452 80.681 66.298 19 HG3 GLN 2 HG3 GLN 2 2.839 82.043 67.234 20 HE21 GLN 2 HE21 GLN 2 3.323 80.816 63.978 21 HE22 GLN 2 HE22 GLN 2 2.057 81.734 63.244 22 H GLN 3 H GLN 3 3.892 80.543 68.456 23 HA GLN 3 HA GLN 3 3.797 82.331 70.753 24 HB2 GLN 3 HB2 GLN 3 1.870 80.870 69.374 25 HB3 GLN 3 HB3 GLN 3 2.059 80.006 70.895 26 HG2 GLN 3 HG2 GLN 3 0.430 81.491 71.464 27 HG3 GLN 3 HG3 GLN 3 1.865 82.407 71.922 28 HE21 GLN 3 HE21 GLN 3 -0.701 82.068 69.594 29 HE22 GLN 3 HE22 GLN 3 -0.519 83.624 68.868 30 H LEU 4 H LEU 4 3.881 78.788 70.316 31 HA LEU 4 HA LEU 4 5.494 78.631 72.777 32 HG LEU 4 HG LEU 4 3.315 78.407 74.010 33 HB2 LEU 4 HB2 LEU 4 3.191 77.083 71.809 34 HB3 LEU 4 HB3 LEU 4 4.509 76.121 72.474 35 HD11 LEU 4 HD11 LEU 4 1.595 76.666 73.230 36 HD12 LEU 4 HD12 LEU 4 1.674 77.051 74.948 37 HD13 LEU 4 HD13 LEU 4 2.414 75.569 74.342 38 HD21 LEU 4 HD21 LEU 4 4.680 77.746 75.639 39 HD22 LEU 4 HD22 LEU 4 5.484 76.734 74.438 40 HD23 LEU 4 HD23 LEU 4 4.207 76.058 75.448 41 H GLN 5 H GLN 5 7.537 78.112 72.410 42 HA GLN 5 HA GLN 5 8.570 77.272 69.955 43 HB2 GLN 5 HB2 GLN 5 10.660 77.015 71.061 44 HB3 GLN 5 HB3 GLN 5 9.838 78.359 71.844 45 HG2 GLN 5 HG2 GLN 5 9.018 76.384 73.438 46 HG3 GLN 5 HG3 GLN 5 10.545 75.692 72.895 47 HE21 GLN 5 HE21 GLN 5 11.727 75.886 74.710 48 HE22 GLN 5 HE22 GLN 5 12.108 77.388 75.474 49 H GLU 6 H GLU 6 9.878 75.222 69.657 50 HA GLU 6 HA GLU 6 8.441 72.912 70.788 51 HB2 GLU 6 HB2 GLU 6 7.707 73.258 68.490 52 HB3 GLU 6 HB3 GLU 6 9.375 73.282 67.937 53 HG2 GLU 6 HG2 GLU 6 9.656 70.994 68.316 54 HG3 GLU 6 HG3 GLU 6 8.224 70.898 69.339 55 H HIS 7 H HIS 7 9.644 70.993 71.047 56 HA HIS 7 HA HIS 7 12.543 71.193 70.668 57 HD1 HIS 7 HD1 HIS 7 14.189 69.808 74.172 58 HD2 HIS 7 HD2 HIS 7 13.559 73.339 72.073 59 HE1 HIS 7 HE1 HIS 7 16.327 71.115 74.395 60 HB2 HIS 7 HB2 HIS 7 11.309 71.525 73.164 61 HB3 HIS 7 HB3 HIS 7 11.941 69.881 73.177 62 H ALA 8 H ALA 8 13.156 69.485 69.533 63 HA ALA 8 HA ALA 8 11.526 67.183 69.190 64 HB1 ALA 8 HB1 ALA 8 14.401 67.664 68.415 65 HB2 ALA 8 HB2 ALA 8 13.411 66.307 67.874 66 HB3 ALA 8 HB3 ALA 8 12.979 67.954 67.412 67 HA PRO 9 HA PRO 9 12.807 64.696 72.589 68 HB2 PRO 9 HB2 PRO 9 12.258 62.243 71.564 69 HB3 PRO 9 HB3 PRO 9 11.001 63.363 72.101 70 HG2 PRO 9 HG2 PRO 9 11.989 62.812 69.329 71 HG3 PRO 9 HG3 PRO 9 10.323 63.017 69.903 72 HD2 PRO 9 HD2 PRO 9 11.689 64.995 68.657 73 HD3 PRO 9 HD3 PRO 9 10.477 65.317 69.914 74 H SER 10 H SER 10 14.470 63.317 73.272 75 HA SER 10 HA SER 10 16.634 62.971 71.312 76 HG SER 10 HG SER 10 18.257 64.943 73.119 77 HB2 SER 10 HB2 SER 10 16.590 64.011 73.972 78 HB3 SER 10 HB3 SER 10 17.573 62.545 73.967 79 H HIS 11 H HIS 11 17.638 61.014 71.043 80 HA HIS 11 HA HIS 11 16.409 58.724 72.434 81 HD1 HIS 11 HD1 HIS 11 18.531 57.418 68.425 82 HD2 HIS 11 HD2 HIS 11 17.050 61.223 69.195 83 HE1 HIS 11 HE1 HIS 11 19.567 58.907 66.683 84 HB2 HIS 11 HB2 HIS 11 16.995 57.421 70.346 85 HB3 HIS 11 HB3 HIS 11 15.720 58.620 70.156 86 H ALA 12 H ALA 12 17.746 57.603 73.676 87 HA ALA 12 HA ALA 12 20.637 57.929 73.300 88 HB1 ALA 12 HB1 ALA 12 20.796 56.992 75.604 89 HB2 ALA 12 HB2 ALA 12 19.898 58.506 75.502 90 HB3 ALA 12 HB3 ALA 12 19.035 56.977 75.667 91 H ASN 13 H ASN 13 21.859 55.859 74.173 92 HA ASN 13 HA ASN 13 21.325 53.795 72.286 93 HB2 ASN 13 HB2 ASN 13 23.494 54.580 73.932 94 HB3 ASN 13 HB3 ASN 13 23.123 52.908 74.339 95 HD21 ASN 13 HD21 ASN 13 25.435 54.040 72.971 96 HD22 ASN 13 HD22 ASN 13 25.520 53.244 71.440 97 H LEU 14 H LEU 14 20.439 51.800 72.549 98 HA LEU 14 HA LEU 14 19.143 50.154 73.430 99 HG LEU 14 HG LEU 14 20.471 48.506 74.079 100 HB2 LEU 14 HB2 LEU 14 20.903 50.962 75.664 101 HB3 LEU 14 HB3 LEU 14 19.485 50.005 76.085 102 HD11 LEU 14 HD11 LEU 14 22.929 49.565 75.453 103 HD12 LEU 14 HD12 LEU 14 22.399 50.102 73.859 104 HD13 LEU 14 HD13 LEU 14 22.839 48.415 74.118 105 HD21 LEU 14 HD21 LEU 14 20.083 48.234 76.754 106 HD22 LEU 14 HD22 LEU 14 21.828 48.008 76.632 107 HD23 LEU 14 HD23 LEU 14 20.738 46.978 75.702 108 H ASP 15 H ASP 15 17.842 52.525 72.998 109 HA ASP 15 HA ASP 15 16.042 52.754 75.320 110 HB2 ASP 15 HB2 ASP 15 17.211 54.753 73.524 111 HB3 ASP 15 HB3 ASP 15 15.470 54.928 73.729 112 H VAL 16 H VAL 16 16.239 52.428 71.822 113 HA VAL 16 HA VAL 16 13.534 51.322 71.817 114 HB VAL 16 HB VAL 16 12.950 52.580 69.761 115 HG11 VAL 16 HG11 VAL 16 12.908 54.903 71.066 116 HG12 VAL 16 HG12 VAL 16 11.863 53.550 71.505 117 HG13 VAL 16 HG13 VAL 16 13.348 53.848 72.409 118 HG21 VAL 16 HG21 VAL 16 14.501 53.723 68.656 119 HG22 VAL 16 HG22 VAL 16 14.684 54.806 70.036 120 HG23 VAL 16 HG23 VAL 16 15.682 53.358 69.914 121 H LYS 17 H LYS 17 13.198 49.736 70.306 122 HA LYS 17 HA LYS 17 14.930 49.291 68.087 123 HB2 LYS 17 HB2 LYS 17 15.790 47.071 68.898 124 HB3 LYS 17 HB3 LYS 17 16.492 48.472 69.695 125 HG2 LYS 17 HG2 LYS 17 14.404 47.924 71.340 126 HG3 LYS 17 HG3 LYS 17 14.846 46.307 70.784 127 HD2 LYS 17 HD2 LYS 17 16.946 48.217 71.744 128 HD3 LYS 17 HD3 LYS 17 15.993 47.278 72.897 129 HE2 LYS 17 HE2 LYS 17 17.698 45.810 72.597 130 HE3 LYS 17 HE3 LYS 17 16.683 45.306 71.246 131 HZ1 LYS 17 HZ1 LYS 17 18.011 46.954 69.887 132 HZ2 LYS 17 HZ2 LYS 17 18.821 45.548 70.366 133 HZ3 LYS 17 HZ3 LYS 17 19.103 47.005 71.177 134 H TRP 18 H TRP 18 14.513 46.897 67.259 135 HA TRP 18 HA TRP 18 11.863 46.723 66.501 136 HD1 TRP 18 HD1 TRP 18 13.534 47.462 64.603 137 HE1 TRP 18 HE1 TRP 18 15.817 47.621 63.426 138 HE3 TRP 18 HE3 TRP 18 15.564 43.038 66.168 139 HZ2 TRP 18 HZ2 TRP 18 18.168 46.075 63.191 140 HZ3 TRP 18 HZ3 TRP 18 17.835 42.452 65.421 141 HH2 TRP 18 HH2 TRP 18 19.108 43.941 63.963 142 HB2 TRP 18 HB2 TRP 18 13.529 44.239 66.761 143 HB3 TRP 18 HB3 TRP 18 12.395 44.687 65.490 144 H LEU 19 H LEU 19 10.589 44.526 66.914 145 HA LEU 19 HA LEU 19 9.750 44.653 69.646 146 HG LEU 19 HG LEU 19 6.581 43.824 68.047 147 HB2 LEU 19 HB2 LEU 19 8.808 43.463 67.160 148 HB3 LEU 19 HB3 LEU 19 8.525 42.437 68.564 149 HD11 LEU 19 HD11 LEU 19 7.855 44.820 70.582 150 HD12 LEU 19 HD12 LEU 19 7.215 43.187 70.402 151 HD13 LEU 19 HD13 LEU 19 6.140 44.576 70.244 152 HD21 LEU 19 HD21 LEU 19 8.364 46.178 68.657 153 HD22 LEU 19 HD22 LEU 19 6.648 46.226 68.256 154 HD23 LEU 19 HD23 LEU 19 7.821 45.712 67.045 155 H ASP 20 H ASP 20 10.010 43.177 71.270 156 HA ASP 20 HA ASP 20 10.912 41.469 72.473 157 HB2 ASP 20 HB2 ASP 20 11.388 40.146 69.794 158 HB3 ASP 20 HB3 ASP 20 11.393 39.355 71.368 159 H GLY 21 H GLY 21 12.524 43.609 72.085 160 HA2 GLY 21 HA2 GLY 21 15.170 42.335 71.956 161 HA3 GLY 21 HA3 GLY 21 14.876 43.783 71.002 162 H LEU 22 H LEU 22 13.155 44.983 73.050 163 HA LEU 22 HA LEU 22 15.172 46.347 74.512 164 HG LEU 22 HG LEU 22 14.232 48.081 73.369 165 HB2 LEU 22 HB2 LEU 22 12.182 46.384 74.502 166 HB3 LEU 22 HB3 LEU 22 13.071 47.239 75.761 167 HD11 LEU 22 HD11 LEU 22 11.277 47.687 73.098 168 HD12 LEU 22 HD12 LEU 22 12.559 47.346 71.937 169 HD13 LEU 22 HD13 LEU 22 12.097 49.014 72.274 170 HD21 LEU 22 HD21 LEU 22 12.057 49.613 74.735 171 HD22 LEU 22 HD22 LEU 22 13.590 50.186 74.078 172 HD23 LEU 22 HD23 LEU 22 13.566 49.264 75.581 173 H ARG 23 H ARG 23 16.096 45.817 76.372 174 HA ARG 23 HA ARG 23 14.962 43.626 77.941 175 HE ARG 23 HE ARG 23 16.662 39.944 77.923 176 HB2 ARG 23 HB2 ARG 23 17.681 44.869 77.732 177 HB3 ARG 23 HB3 ARG 23 17.255 43.939 79.162 178 HG2 ARG 23 HG2 ARG 23 16.532 42.483 76.800 179 HG3 ARG 23 HG3 ARG 23 18.223 42.982 76.718 180 HD2 ARG 23 HD2 ARG 23 18.630 41.169 77.965 181 HD3 ARG 23 HD3 ARG 23 17.995 42.123 79.305 182 HH11 ARG 23 HH11 ARG 23 16.429 42.584 80.180 183 HH12 ARG 23 HH12 ARG 23 14.990 41.983 80.935 184 HH21 ARG 23 HH21 ARG 23 14.768 39.142 78.908 185 HH22 ARG 23 HH22 ARG 23 14.046 40.025 80.211 186 H ALA 24 H ALA 24 16.497 46.782 78.596 187 HA ALA 24 HA ALA 24 14.748 47.024 80.959 188 HB1 ALA 24 HB1 ALA 24 16.855 48.782 81.352 189 HB2 ALA 24 HB2 ALA 24 16.633 47.213 82.128 190 HB3 ALA 24 HB3 ALA 24 17.611 47.345 80.665 191 H GLY 25 H GLY 25 16.232 48.711 78.238 192 HA2 GLY 25 HA2 GLY 25 15.542 51.304 78.578 193 HA3 GLY 25 HA3 GLY 25 15.406 50.498 77.023 194 H SER 26 H SER 26 13.763 52.638 78.070 195 HA SER 26 HA SER 26 11.579 53.254 78.293 196 HG SER 26 HG SER 26 10.863 49.961 77.473 197 HB2 SER 26 HB2 SER 26 10.006 52.140 76.820 198 HB3 SER 26 HB3 SER 26 11.563 52.264 76.002 199 H MET 27 H MET 27 12.537 51.930 80.516 200 HA MET 27 HA MET 27 10.788 49.824 81.337 201 HB2 MET 27 HB2 MET 27 11.821 50.135 83.555 202 HB3 MET 27 HB3 MET 27 13.022 49.996 82.278 203 HG2 MET 27 HG2 MET 27 12.155 52.727 82.993 204 HG3 MET 27 HG3 MET 27 13.118 51.856 84.185 205 HE1 MET 27 HE1 MET 27 14.158 54.674 81.836 206 HE2 MET 27 HE2 MET 27 14.262 53.773 80.323 207 HE3 MET 27 HE3 MET 27 12.755 53.785 81.239 208 H ALA 28 H ALA 28 10.850 53.313 81.714 209 HA ALA 28 HA ALA 28 8.711 53.389 83.626 210 HB1 ALA 28 HB1 ALA 28 9.433 55.465 83.918 211 HB2 ALA 28 HB2 ALA 28 10.609 55.211 82.629 212 HB3 ALA 28 HB3 ALA 28 9.020 55.879 82.254 213 H LEU 29 H LEU 29 8.904 54.679 80.302 214 HA LEU 29 HA LEU 29 6.002 54.333 80.071 215 HG LEU 29 HG LEU 29 6.705 56.802 80.711 216 HB2 LEU 29 HB2 LEU 29 8.003 55.979 78.552 217 HB3 LEU 29 HB3 LEU 29 6.364 55.720 77.961 218 HD11 LEU 29 HD11 LEU 29 6.619 58.832 78.594 219 HD12 LEU 29 HD12 LEU 29 8.155 57.979 78.746 220 HD13 LEU 29 HD13 LEU 29 7.476 58.828 80.135 221 HD21 LEU 29 HD21 LEU 29 4.568 56.275 79.078 222 HD22 LEU 29 HD22 LEU 29 4.806 58.009 78.852 223 HD23 LEU 29 HD23 LEU 29 4.553 57.358 80.472 224 H GLN 30 H GLN 30 5.310 53.849 77.700 225 HA GLN 30 HA GLN 30 6.477 51.291 77.030 226 HB2 GLN 30 HB2 GLN 30 3.981 52.735 76.422 227 HB3 GLN 30 HB3 GLN 30 4.583 51.721 75.118 228 HG2 GLN 30 HG2 GLN 30 4.811 50.088 77.311 229 HG3 GLN 30 HG3 GLN 30 3.329 50.985 77.637 230 HE21 GLN 30 HE21 GLN 30 1.666 50.954 76.001 231 HE22 GLN 30 HE22 GLN 30 1.508 49.575 74.973 232 H GLY 31 H GLY 31 8.339 51.370 75.922 233 HA2 GLY 31 HA2 GLY 31 8.843 53.435 73.962 234 HA3 GLY 31 HA3 GLY 31 9.931 52.130 74.410 235 H ASP 32 H ASP 32 7.531 50.264 73.936 236 HA ASP 32 HA ASP 32 8.261 49.478 71.322 237 HB2 ASP 32 HB2 ASP 32 6.014 48.677 73.163 238 HB3 ASP 32 HB3 ASP 32 6.173 47.996 71.545 239 H VAL 33 H VAL 33 5.246 50.920 72.561 240 HA VAL 33 HA VAL 33 4.261 51.368 69.880 241 HB VAL 33 HB VAL 33 2.345 52.475 71.033 242 HG11 VAL 33 HG11 VAL 33 1.390 50.468 71.142 243 HG12 VAL 33 HG12 VAL 33 2.992 49.780 70.869 244 HG13 VAL 33 HG13 VAL 33 2.391 49.992 72.515 245 HG21 VAL 33 HG21 VAL 33 4.184 52.343 73.263 246 HG22 VAL 33 HG22 VAL 33 2.698 53.274 73.082 247 HG23 VAL 33 HG23 VAL 33 2.630 51.609 73.658 248 H LYS 34 H LYS 34 5.700 53.243 72.477 249 HA LYS 34 HA LYS 34 5.157 55.824 71.727 250 HB2 LYS 34 HB2 LYS 34 6.379 55.490 73.724 251 HB3 LYS 34 HB3 LYS 34 7.645 54.595 72.895 252 HG2 LYS 34 HG2 LYS 34 8.197 56.734 71.680 253 HG3 LYS 34 HG3 LYS 34 7.111 57.549 72.808 254 HD2 LYS 34 HD2 LYS 34 8.582 57.417 74.504 255 HD3 LYS 34 HD3 LYS 34 9.077 55.778 74.076 256 HE2 LYS 34 HE2 LYS 34 9.923 57.827 72.164 257 HE3 LYS 34 HE3 LYS 34 10.608 58.022 73.777 258 HZ1 LYS 34 HZ1 LYS 34 11.038 55.463 73.477 259 HZ2 LYS 34 HZ2 LYS 34 12.119 56.612 72.867 260 HZ3 LYS 34 HZ3 LYS 34 11.003 55.870 71.835 261 H VAL 35 H VAL 35 7.349 53.551 70.223 262 HA VAL 35 HA VAL 35 8.409 55.583 68.424 263 HB VAL 35 HB VAL 35 9.864 53.854 67.560 264 HG11 VAL 35 HG11 VAL 35 10.577 54.954 69.598 265 HG12 VAL 35 HG12 VAL 35 9.690 53.777 70.571 266 HG13 VAL 35 HG13 VAL 35 11.083 53.265 69.616 267 HG21 VAL 35 HG21 VAL 35 9.781 51.557 68.415 268 HG22 VAL 35 HG22 VAL 35 8.334 51.958 69.339 269 HG23 VAL 35 HG23 VAL 35 8.293 51.993 67.577 270 H TRP 36 H TRP 36 5.913 53.247 68.524 271 HA TRP 36 HA TRP 36 5.602 52.362 65.960 272 HD1 TRP 36 HD1 TRP 36 2.744 53.290 64.604 273 HE1 TRP 36 HE1 TRP 36 1.330 51.431 63.520 274 HE3 TRP 36 HE3 TRP 36 3.175 49.718 68.235 275 HZ2 TRP 36 HZ2 TRP 36 0.506 48.801 64.124 276 HZ3 TRP 36 HZ3 TRP 36 2.042 47.558 67.906 277 HH2 TRP 36 HH2 TRP 36 0.736 47.111 65.892 278 HB2 TRP 36 HB2 TRP 36 4.110 51.917 67.980 279 HB3 TRP 36 HB3 TRP 36 3.280 53.416 67.575 280 H MET 37 H MET 37 4.173 55.384 67.219 281 HA MET 37 HA MET 37 3.405 56.292 64.628 282 HB2 MET 37 HB2 MET 37 2.628 58.252 65.705 283 HB3 MET 37 HB3 MET 37 2.338 56.940 66.840 284 HG2 MET 37 HG2 MET 37 4.836 58.571 67.006 285 HG3 MET 37 HG3 MET 37 3.326 59.160 67.696 286 HE1 MET 37 HE1 MET 37 2.180 56.014 68.599 287 HE2 MET 37 HE2 MET 37 2.474 56.384 70.298 288 HE3 MET 37 HE3 MET 37 1.839 57.629 69.222 289 H GLN 38 H GLN 38 6.191 56.787 66.698 290 HA GLN 38 HA GLN 38 7.325 59.000 65.423 291 HB2 GLN 38 HB2 GLN 38 9.039 58.683 66.849 292 HB3 GLN 38 HB3 GLN 38 8.007 57.448 67.555 293 HG2 GLN 38 HG2 GLN 38 9.909 56.244 67.288 294 HG3 GLN 38 HG3 GLN 38 9.148 55.934 65.728 295 HE21 GLN 38 HE21 GLN 38 11.288 58.301 67.281 296 HE22 GLN 38 HE22 GLN 38 12.346 58.488 65.928 297 H ASN 39 H ASN 39 7.141 55.677 64.472 298 HA ASN 39 HA ASN 39 9.243 55.870 62.502 299 HB2 ASN 39 HB2 ASN 39 7.888 53.770 63.789 300 HB3 ASN 39 HB3 ASN 39 7.457 53.638 62.086 301 HD21 ASN 39 HD21 ASN 39 8.913 51.683 63.302 302 HD22 ASN 39 HD22 ASN 39 10.529 51.690 62.692 303 H LEU 40 H LEU 40 5.698 55.713 62.490 304 HA LEU 40 HA LEU 40 5.478 55.910 59.652 305 HG LEU 40 HG LEU 40 3.977 55.407 62.946 306 HB2 LEU 40 HB2 LEU 40 3.157 56.832 61.135 307 HB3 LEU 40 HB3 LEU 40 3.317 55.492 60.002 308 HD11 LEU 40 HD11 LEU 40 1.879 54.794 63.323 309 HD12 LEU 40 HD12 LEU 40 1.935 53.599 62.028 310 HD13 LEU 40 HD13 LEU 40 1.502 55.270 61.667 311 HD21 LEU 40 HD21 LEU 40 4.459 53.109 62.667 312 HD22 LEU 40 HD22 LEU 40 5.365 53.956 61.411 313 HD23 LEU 40 HD23 LEU 40 3.870 53.112 61.003 314 H GLU 41 H GLU 41 5.961 58.171 62.181 315 HA GLU 41 HA GLU 41 4.769 60.465 61.093 316 HB2 GLU 41 HB2 GLU 41 5.986 59.972 63.414 317 HB3 GLU 41 HB3 GLU 41 7.332 60.734 62.580 318 HG2 GLU 41 HG2 GLU 41 6.233 62.767 62.392 319 HG3 GLU 41 HG3 GLU 41 4.647 62.043 62.649 320 H ASP 42 H ASP 42 7.964 59.040 60.612 321 HA ASP 42 HA ASP 42 8.799 61.172 58.844 322 HB2 ASP 42 HB2 ASP 42 10.400 59.992 60.346 323 HB3 ASP 42 HB3 ASP 42 10.148 58.523 59.408 324 H LEU 43 H LEU 43 7.565 57.901 58.590 325 HA LEU 43 HA LEU 43 8.027 57.745 55.745 326 HG LEU 43 HG LEU 43 7.243 54.146 55.912 327 HB2 LEU 43 HB2 LEU 43 7.837 55.857 57.610 328 HB3 LEU 43 HB3 LEU 43 6.148 55.899 57.109 329 HD11 LEU 43 HD11 LEU 43 7.167 55.190 53.520 330 HD12 LEU 43 HD12 LEU 43 6.532 56.596 54.371 331 HD13 LEU 43 HD13 LEU 43 5.693 55.049 54.478 332 HD21 LEU 43 HD21 LEU 43 9.420 54.247 55.497 333 HD22 LEU 43 HD22 LEU 43 9.454 55.958 55.924 334 HD23 LEU 43 HD23 LEU 43 9.106 55.470 54.265 335 H HIS 44 H HIS 44 5.082 57.654 57.762 336 HA HIS 44 HA HIS 44 3.140 57.815 55.886 337 HD1 HIS 44 HD1 HIS 44 1.100 60.926 58.226 338 HD2 HIS 44 HD2 HIS 44 0.494 57.152 56.597 339 HE1 HIS 44 HE1 HIS 44 -1.324 60.863 57.560 340 HB2 HIS 44 HB2 HIS 44 2.819 57.792 58.382 341 HB3 HIS 44 HB3 HIS 44 3.128 59.526 58.378 342 H THR 45 H THR 45 4.671 60.696 57.331 343 HA THR 45 HA THR 45 3.504 62.696 55.929 344 HB THR 45 HB THR 45 5.289 63.017 57.634 345 HG1 THR 45 HG1 THR 45 6.130 64.453 55.373 346 HG21 THR 45 HG21 THR 45 7.626 62.992 56.938 347 HG22 THR 45 HG22 THR 45 7.158 62.435 55.333 348 HG23 THR 45 HG23 THR 45 6.906 61.396 56.736 349 H ARG 46 H ARG 46 5.845 60.399 54.708 350 HA ARG 46 HA ARG 46 5.953 61.785 52.133 351 HE ARG 46 HE ARG 46 10.683 59.317 51.623 352 HB2 ARG 46 HB2 ARG 46 7.773 60.138 53.617 353 HB3 ARG 46 HB3 ARG 46 7.467 59.395 52.054 354 HG2 ARG 46 HG2 ARG 46 7.862 62.113 51.528 355 HG3 ARG 46 HG3 ARG 46 9.096 61.662 52.708 356 HD2 ARG 46 HD2 ARG 46 8.693 59.729 50.533 357 HD3 ARG 46 HD3 ARG 46 9.311 61.300 50.023 358 HH11 ARG 46 HH11 ARG 46 10.562 62.629 50.558 359 HH12 ARG 46 HH12 ARG 46 12.236 62.931 50.881 360 HH21 ARG 46 HH21 ARG 46 12.889 59.702 52.051 361 HH22 ARG 46 HH22 ARG 46 13.561 61.265 51.729 362 H ARG 47 H ARG 47 5.684 58.369 53.135 363 HA ARG 47 HA ARG 47 3.628 58.025 51.053 364 HE ARG 47 HE ARG 47 2.952 53.974 48.776 365 HB2 ARG 47 HB2 ARG 47 5.751 56.999 50.359 366 HB3 ARG 47 HB3 ARG 47 5.779 56.050 51.839 367 HG2 ARG 47 HG2 ARG 47 4.975 54.546 50.286 368 HG3 ARG 47 HG3 ARG 47 3.494 55.154 51.030 369 HD2 ARG 47 HD2 ARG 47 3.351 56.814 49.153 370 HD3 ARG 47 HD3 ARG 47 4.690 55.962 48.385 371 HH11 ARG 47 HH11 ARG 47 2.520 57.177 47.480 372 HH12 ARG 47 HH12 ARG 47 1.217 56.719 46.433 373 HH21 ARG 47 HH21 ARG 47 1.237 53.360 47.403 374 HH22 ARG 47 HH22 ARG 47 0.488 54.548 46.391 375 HA PRO 48 HA PRO 48 1.285 56.739 54.630 376 HB2 PRO 48 HB2 PRO 48 -1.027 56.289 53.279 377 HB3 PRO 48 HB3 PRO 48 -0.469 57.908 53.715 378 HG2 PRO 48 HG2 PRO 48 -0.240 56.466 51.102 379 HG3 PRO 48 HG3 PRO 48 -0.674 58.157 51.412 380 HD2 PRO 48 HD2 PRO 48 1.806 57.410 50.620 381 HD3 PRO 48 HD3 PRO 48 1.522 58.801 51.687 382 H ASP 49 H ASP 49 1.145 54.977 51.540 383 HA ASP 49 HA ASP 49 0.191 52.549 52.592 384 HB2 ASP 49 HB2 ASP 49 0.254 53.238 50.155 385 HB3 ASP 49 HB3 ASP 49 1.968 52.832 50.166 386 H GLU 50 H GLU 50 3.362 53.962 52.496 387 HA GLU 50 HA GLU 50 4.658 51.459 53.228 388 HB2 GLU 50 HB2 GLU 50 5.672 54.228 52.621 389 HB3 GLU 50 HB3 GLU 50 6.717 52.993 53.307 390 HG2 GLU 50 HG2 GLU 50 5.161 52.437 50.820 391 HG3 GLU 50 HG3 GLU 50 6.669 53.346 50.750 392 H PHE 51 H PHE 51 3.193 54.108 54.746 393 HA PHE 51 HA PHE 51 4.615 54.664 56.993 394 HD1 PHE 51 HD1 PHE 51 1.191 52.656 56.034 395 HD2 PHE 51 HD2 PHE 51 1.427 54.997 59.581 396 HE1 PHE 51 HE1 PHE 51 -0.538 51.247 57.074 397 HE2 PHE 51 HE2 PHE 51 -0.300 53.592 60.627 398 HZ PHE 51 HZ PHE 51 -1.285 51.714 59.374 399 HB2 PHE 51 HB2 PHE 51 2.704 55.589 57.779 400 HB3 PHE 51 HB3 PHE 51 2.073 55.185 56.185 401 H THR 52 H THR 52 2.806 51.731 56.319 402 HA THR 52 HA THR 52 3.184 50.650 58.965 403 HB THR 52 HB THR 52 1.263 49.751 58.100 404 HG1 THR 52 HG1 THR 52 2.863 48.037 58.574 405 HG21 THR 52 HG21 THR 52 2.668 49.776 55.441 406 HG22 THR 52 HG22 THR 52 1.225 50.663 55.930 407 HG23 THR 52 HG23 THR 52 1.147 48.918 55.686 408 H ALA 53 H ALA 53 4.855 50.574 55.927 409 HA ALA 53 HA ALA 53 6.338 48.233 56.160 410 HB1 ALA 53 HB1 ALA 53 7.401 48.954 54.323 411 HB2 ALA 53 HB2 ALA 53 6.219 50.262 54.353 412 HB3 ALA 53 HB3 ALA 53 7.819 50.504 55.052 413 H ARG 54 H ARG 54 6.476 51.078 58.039 414 HA ARG 54 HA ARG 54 9.216 50.849 58.854 415 HE ARG 54 HE ARG 54 10.373 53.840 57.077 416 HB2 ARG 54 HB2 ARG 54 6.872 52.504 59.698 417 HB3 ARG 54 HB3 ARG 54 8.274 52.406 60.754 418 HG2 ARG 54 HG2 ARG 54 8.413 53.232 57.865 419 HG3 ARG 54 HG3 ARG 54 8.257 54.363 59.212 420 HD2 ARG 54 HD2 ARG 54 10.421 54.184 59.750 421 HD3 ARG 54 HD3 ARG 54 10.404 52.429 59.584 422 HH11 ARG 54 HH11 ARG 54 12.369 52.514 59.602 423 HH12 ARG 54 HH12 ARG 54 13.765 52.343 58.588 424 HH21 ARG 54 HH21 ARG 54 12.203 53.621 55.733 425 HH22 ARG 54 HH22 ARG 54 13.669 52.974 56.388 426 H LEU 55 H LEU 55 6.240 50.590 60.803 427 HA LEU 55 HA LEU 55 7.582 49.012 62.791 428 HG LEU 55 HG LEU 55 3.436 49.977 63.153 429 HB2 LEU 55 HB2 LEU 55 5.530 49.051 63.986 430 HB3 LEU 55 HB3 LEU 55 5.770 50.648 63.281 431 HD11 LEU 55 HD11 LEU 55 4.567 49.824 60.375 432 HD12 LEU 55 HD12 LEU 55 4.594 51.311 61.322 433 HD13 LEU 55 HD13 LEU 55 3.054 50.555 60.912 434 HD21 LEU 55 HD21 LEU 55 4.335 47.450 62.805 435 HD22 LEU 55 HD22 LEU 55 3.907 47.876 61.147 436 HD23 LEU 55 HD23 LEU 55 2.695 47.980 62.425 437 H GLN 56 H GLN 56 5.930 48.350 59.887 438 HA GLN 56 HA GLN 56 4.692 45.925 60.334 439 HB2 GLN 56 HB2 GLN 56 4.386 46.843 58.205 440 HB3 GLN 56 HB3 GLN 56 6.112 47.065 57.949 441 HG2 GLN 56 HG2 GLN 56 5.507 45.298 56.547 442 HG3 GLN 56 HG3 GLN 56 6.289 44.538 57.932 443 HE21 GLN 56 HE21 GLN 56 3.151 45.350 56.552 444 HE22 GLN 56 HE22 GLN 56 2.290 44.038 57.274 445 H GLN 57 H GLN 57 8.109 46.628 59.945 446 HA GLN 57 HA GLN 57 8.912 43.886 59.768 447 HB2 GLN 57 HB2 GLN 57 10.241 46.518 59.851 448 HB3 GLN 57 HB3 GLN 57 11.170 45.191 60.536 449 HG2 GLN 57 HG2 GLN 57 10.015 44.390 58.039 450 HG3 GLN 57 HG3 GLN 57 10.908 45.896 57.841 451 HE21 GLN 57 HE21 GLN 57 13.127 45.930 58.281 452 HE22 GLN 57 HE22 GLN 57 14.062 44.479 58.337 453 H SER 58 H SER 58 8.899 46.333 62.335 454 HA SER 58 HA SER 58 10.012 44.577 64.298 455 HG SER 58 HG SER 58 7.778 47.642 65.123 456 HB2 SER 58 HB2 SER 58 9.285 46.399 65.899 457 HB3 SER 58 HB3 SER 58 10.366 46.922 64.608 458 H THR 59 H THR 59 6.793 46.106 64.119 459 HA THR 59 HA THR 59 5.484 44.767 66.080 460 HB THR 59 HB THR 59 4.422 45.531 63.359 461 HG1 THR 59 HG1 THR 59 5.183 47.158 64.960 462 HG21 THR 59 HG21 THR 59 2.184 45.304 64.280 463 HG22 THR 59 HG22 THR 59 2.848 44.749 65.817 464 HG23 THR 59 HG23 THR 59 3.029 43.758 64.369 465 H ASP 60 H ASP 60 6.689 43.423 63.151 466 HA ASP 60 HA ASP 60 5.065 41.230 62.728 467 HB2 ASP 60 HB2 ASP 60 7.574 42.111 61.818 468 HB3 ASP 60 HB3 ASP 60 7.836 40.477 62.423 469 H ALA 61 H ALA 61 7.692 41.624 65.056 470 HA ALA 61 HA ALA 61 7.728 38.952 65.976 471 HB1 ALA 61 HB1 ALA 61 9.609 39.886 66.755 472 HB2 ALA 61 HB2 ALA 61 8.910 41.506 66.780 473 HB3 ALA 61 HB3 ALA 61 8.610 40.394 68.117 474 H LEU 62 H LEU 62 5.988 41.837 67.062 475 HA LEU 62 HA LEU 62 4.823 40.625 69.348 476 HG LEU 62 HG LEU 62 2.230 42.084 69.460 477 HB2 LEU 62 HB2 LEU 62 5.046 43.051 69.076 478 HB3 LEU 62 HB3 LEU 62 3.893 43.003 67.745 479 HD11 LEU 62 HD11 LEU 62 4.560 42.696 71.160 480 HD12 LEU 62 HD12 LEU 62 3.259 41.527 71.389 481 HD13 LEU 62 HD13 LEU 62 2.991 43.230 71.765 482 HD21 LEU 62 HD21 LEU 62 1.512 44.150 69.024 483 HD22 LEU 62 HD22 LEU 62 3.153 44.790 68.943 484 HD23 LEU 62 HD23 LEU 62 2.345 44.635 70.503 485 H TYR 63 H TYR 63 3.796 41.004 65.999 486 HA TYR 63 HA TYR 63 1.158 40.010 66.399 487 HD1 TYR 63 HD1 TYR 63 3.792 38.853 63.186 488 HD2 TYR 63 HD2 TYR 63 -0.415 39.475 63.319 489 HE1 TYR 63 HE1 TYR 63 3.486 37.110 61.477 490 HE2 TYR 63 HE2 TYR 63 -0.732 37.733 61.612 491 HH TYR 63 HH TYR 63 1.938 36.338 59.891 492 HB2 TYR 63 HB2 TYR 63 1.043 41.009 64.392 493 HB3 TYR 63 HB3 TYR 63 2.786 40.921 64.165 494 H SER 64 H SER 64 4.187 38.556 65.268 495 HA SER 64 HA SER 64 3.039 35.976 64.829 496 HG SER 64 HG SER 64 5.343 34.486 63.860 497 HB2 SER 64 HB2 SER 64 5.450 37.228 64.184 498 HB3 SER 64 HB3 SER 64 5.908 35.939 65.296 499 H HIS 65 H HIS 65 5.159 37.321 67.352 500 HA HIS 65 HA HIS 65 5.554 35.154 68.952 501 HD1 HIS 65 HD1 HIS 65 4.026 37.359 72.205 502 HD2 HIS 65 HD2 HIS 65 7.714 35.660 71.328 503 HE1 HIS 65 HE1 HIS 65 4.882 36.447 74.387 504 HB2 HIS 65 HB2 HIS 65 6.496 37.366 69.431 505 HB3 HIS 65 HB3 HIS 65 4.900 37.960 69.880 506 H LEU 66 H LEU 66 2.706 37.283 69.012 507 HA LEU 66 HA LEU 66 1.348 35.921 71.070 508 HG LEU 66 HG LEU 66 -1.328 36.220 70.624 509 HB2 LEU 66 HB2 LEU 66 0.833 38.214 70.270 510 HB3 LEU 66 HB3 LEU 66 0.152 37.510 68.805 511 HD11 LEU 66 HD11 LEU 66 -1.747 38.594 72.060 512 HD12 LEU 66 HD12 LEU 66 -0.012 38.283 72.112 513 HD13 LEU 66 HD13 LEU 66 -1.145 37.052 72.670 514 HD21 LEU 66 HD21 LEU 66 -2.421 37.335 68.905 515 HD22 LEU 66 HD22 LEU 66 -1.694 38.889 69.316 516 HD23 LEU 66 HD23 LEU 66 -2.955 38.207 70.344 517 H GLU 67 H GLU 67 0.993 35.732 67.531 518 HA GLU 67 HA GLU 67 -0.944 33.669 67.580 519 HB2 GLU 67 HB2 GLU 67 -0.272 35.296 65.663 520 HB3 GLU 67 HB3 GLU 67 0.942 34.082 65.283 521 HG2 GLU 67 HG2 GLU 67 -1.544 32.762 65.624 522 HG3 GLU 67 HG3 GLU 67 -1.791 34.141 64.555 523 H ALA 68 H ALA 68 2.432 33.667 68.062 524 HA ALA 68 HA ALA 68 2.834 30.912 67.269 525 HB1 ALA 68 HB1 ALA 68 5.033 31.356 67.378 526 HB2 ALA 68 HB2 ALA 68 4.509 33.039 67.428 527 HB3 ALA 68 HB3 ALA 68 4.892 32.190 68.925 528 H GLN 69 H GLN 69 3.219 32.676 70.351 529 HA GLN 69 HA GLN 69 3.049 30.194 71.832 530 HB2 GLN 69 HB2 GLN 69 4.389 32.520 72.280 531 HB3 GLN 69 HB3 GLN 69 2.988 32.737 73.319 532 HG2 GLN 69 HG2 GLN 69 3.487 30.755 74.537 533 HG3 GLN 69 HG3 GLN 69 4.744 30.300 73.389 534 HE21 GLN 69 HE21 GLN 69 4.037 31.914 76.257 535 HE22 GLN 69 HE22 GLN 69 5.572 32.665 76.508 536 H TRP 70 H TRP 70 1.281 33.293 71.923 537 HA TRP 70 HA TRP 70 -0.757 32.590 73.620 538 HD1 TRP 70 HD1 TRP 70 -0.225 35.601 74.589 539 HE1 TRP 70 HE1 TRP 70 -2.150 36.490 76.048 540 HE3 TRP 70 HE3 TRP 70 -4.182 33.945 71.809 541 HZ2 TRP 70 HZ2 TRP 70 -4.973 36.489 76.023 542 HZ3 TRP 70 HZ3 TRP 70 -6.461 34.430 72.596 543 HH2 TRP 70 HH2 TRP 70 -6.848 35.675 74.660 544 HB2 TRP 70 HB2 TRP 70 -0.196 34.764 72.011 545 HB3 TRP 70 HB3 TRP 70 -1.718 34.168 71.353 546 H ALA 71 H ALA 71 -0.318 31.691 70.278 547 HA ALA 71 HA ALA 71 -2.875 30.883 69.577 548 HB1 ALA 71 HB1 ALA 71 -1.437 29.046 68.271 549 HB2 ALA 71 HB2 ALA 71 -1.510 30.738 67.775 550 HB3 ALA 71 HB3 ALA 71 -0.139 30.154 68.719 551 H LYS 72 H LYS 72 -0.409 29.161 71.428 552 HA LYS 72 HA LYS 72 -1.420 26.628 71.553 553 HB2 LYS 72 HB2 LYS 72 -0.009 28.326 73.580 554 HB3 LYS 72 HB3 LYS 72 -0.573 26.721 74.027 555 HG2 LYS 72 HG2 LYS 72 1.185 27.215 71.642 556 HG3 LYS 72 HG3 LYS 72 1.823 26.903 73.257 557 HD2 LYS 72 HD2 LYS 72 1.734 24.741 72.671 558 HD3 LYS 72 HD3 LYS 72 -0.002 24.886 72.957 559 HE2 LYS 72 HE2 LYS 72 0.072 25.773 70.446 560 HE3 LYS 72 HE3 LYS 72 1.507 24.750 70.407 561 HZ1 LYS 72 HZ1 LYS 72 0.055 22.947 71.337 562 HZ2 LYS 72 HZ2 LYS 72 -0.298 23.411 69.749 563 HZ3 LYS 72 HZ3 LYS 72 -1.276 23.943 71.021 564 H GLN 73 H GLN 73 -2.650 29.499 73.131 565 HA GLN 73 HA GLN 73 -4.272 28.529 75.093 566 HB2 GLN 73 HB2 GLN 73 -4.583 30.794 73.164 567 HB3 GLN 73 HB3 GLN 73 -5.913 30.402 74.246 568 HG2 GLN 73 HG2 GLN 73 -3.166 30.780 75.344 569 HG3 GLN 73 HG3 GLN 73 -4.156 32.179 74.935 570 HE21 GLN 73 HE21 GLN 73 -3.398 29.949 77.294 571 HE22 GLN 73 HE22 GLN 73 -4.725 30.231 78.364 572 H HIS 74 H HIS 74 -5.274 28.939 71.693 573 HA HIS 74 HA HIS 74 -7.086 26.655 72.035 574 HD1 HIS 74 HD1 HIS 74 -10.749 27.608 71.663 575 HD2 HIS 74 HD2 HIS 74 -7.820 29.172 74.160 576 HE1 HIS 74 HE1 HIS 74 -11.827 27.800 73.926 577 HB2 HIS 74 HB2 HIS 74 -7.781 29.415 71.102 578 HB3 HIS 74 HB3 HIS 74 -8.654 28.035 70.445 579 H GLY 75 H GLY 75 -5.724 28.933 69.654 580 HA2 GLY 75 HA2 GLY 75 -4.387 28.280 67.815 581 HA3 GLY 75 HA3 GLY 75 -5.009 26.645 67.973 582 H THR 76 H THR 76 -7.784 27.896 68.222 583 HA THR 76 HA THR 76 -8.337 27.847 65.375 584 HB THR 76 HB THR 76 -10.303 26.994 65.979 585 HG1 THR 76 HG1 THR 76 -11.360 28.893 66.183 586 HG21 THR 76 HG21 THR 76 -10.549 26.093 68.113 587 HG22 THR 76 HG22 THR 76 -9.757 27.463 68.891 588 HG23 THR 76 HG23 THR 76 -8.803 26.298 67.972 589 HA PRO 77 HA PRO 77 -10.067 32.220 66.545 590 HB2 PRO 77 HB2 PRO 77 -9.275 33.244 68.932 591 HB3 PRO 77 HB3 PRO 77 -10.738 32.271 68.742 592 HG2 PRO 77 HG2 PRO 77 -8.034 31.449 69.725 593 HG3 PRO 77 HG3 PRO 77 -9.632 31.026 70.364 594 HD2 PRO 77 HD2 PRO 77 -8.200 29.347 68.795 595 HD3 PRO 77 HD3 PRO 77 -9.975 29.393 68.774 596 HA PRO 78 HA PRO 78 -5.468 33.745 67.207 597 HB2 PRO 78 HB2 PRO 78 -3.631 31.767 66.918 598 HB3 PRO 78 HB3 PRO 78 -4.309 32.228 68.485 599 HG2 PRO 78 HG2 PRO 78 -5.057 29.950 66.694 600 HG3 PRO 78 HG3 PRO 78 -4.855 29.968 68.455 601 HD2 PRO 78 HD2 PRO 78 -7.287 30.073 67.266 602 HD3 PRO 78 HD3 PRO 78 -6.944 30.878 68.810 603 H THR 79 H THR 79 -5.544 34.767 65.274 604 HA THR 79 HA THR 79 -4.294 33.481 63.010 605 HB THR 79 HB THR 79 -7.089 34.574 62.657 606 HG1 THR 79 HG1 THR 79 -6.225 31.856 62.614 607 HG21 THR 79 HG21 THR 79 -5.979 34.827 60.618 608 HG22 THR 79 HG22 THR 79 -6.784 33.268 60.452 609 HG23 THR 79 HG23 THR 79 -5.061 33.335 60.824 610 H ALA 80 H ALA 80 -3.741 34.976 61.313 611 HA ALA 80 HA ALA 80 -2.628 37.330 62.074 612 HB1 ALA 80 HB1 ALA 80 -2.343 37.860 59.824 613 HB2 ALA 80 HB2 ALA 80 -2.501 36.102 59.819 614 HB3 ALA 80 HB3 ALA 80 -3.871 37.112 59.355 615 H SER 81 H SER 81 -5.957 36.847 60.996 616 HA SER 81 HA SER 81 -6.651 39.605 60.981 617 HG SER 81 HG SER 81 -8.695 37.571 58.935 618 HB2 SER 81 HB2 SER 81 -8.376 37.122 61.139 619 HB3 SER 81 HB3 SER 81 -9.001 38.756 60.911 620 H ASP 82 H ASP 82 -6.782 37.053 63.390 621 HA ASP 82 HA ASP 82 -8.273 38.603 65.292 622 HB2 ASP 82 HB2 ASP 82 -7.064 35.913 65.183 623 HB3 ASP 82 HB3 ASP 82 -7.123 36.642 66.786 624 H VAL 83 H VAL 83 -4.931 37.348 65.345 625 HA VAL 83 HA VAL 83 -3.916 38.581 67.522 626 HB VAL 83 HB VAL 83 -2.628 38.158 64.836 627 HG11 VAL 83 HG11 VAL 83 -1.248 39.087 67.352 628 HG12 VAL 83 HG12 VAL 83 -0.477 38.691 65.815 629 HG13 VAL 83 HG13 VAL 83 -1.552 40.086 65.931 630 HG21 VAL 83 HG21 VAL 83 -3.190 36.508 67.062 631 HG22 VAL 83 HG22 VAL 83 -2.300 36.099 65.595 632 HG23 VAL 83 HG23 VAL 83 -1.442 36.730 67.001 633 H VAL 84 H VAL 84 -4.980 40.132 64.626 634 HA VAL 84 HA VAL 84 -3.582 42.520 64.648 635 HB VAL 84 HB VAL 84 -6.460 41.999 63.905 636 HG11 VAL 84 HG11 VAL 84 -6.699 44.227 63.976 637 HG12 VAL 84 HG12 VAL 84 -4.959 44.507 64.069 638 HG13 VAL 84 HG13 VAL 84 -5.726 44.223 62.506 639 HG21 VAL 84 HG21 VAL 84 -5.617 41.146 62.037 640 HG22 VAL 84 HG22 VAL 84 -4.773 42.660 61.714 641 HG23 VAL 84 HG23 VAL 84 -3.987 41.396 62.660 642 H GLY 85 H GLY 85 -6.699 41.842 66.253 643 HA2 GLY 85 HA2 GLY 85 -6.069 44.036 68.131 644 HA3 GLY 85 HA3 GLY 85 -7.689 43.784 67.499 645 H MET 86 H MET 86 -6.283 40.812 67.944 646 HA MET 86 HA MET 86 -7.985 40.162 70.123 647 HB2 MET 86 HB2 MET 86 -7.531 38.417 68.596 648 HB3 MET 86 HB3 MET 86 -5.795 38.677 68.690 649 HG2 MET 86 HG2 MET 86 -5.735 37.795 70.927 650 HG3 MET 86 HG3 MET 86 -7.491 37.657 70.955 651 HE1 MET 86 HE1 MET 86 -4.494 35.158 68.615 652 HE2 MET 86 HE2 MET 86 -4.273 36.747 69.346 653 HE3 MET 86 HE3 MET 86 -4.315 35.308 70.364 654 HA PRO 87 HA PRO 87 -3.722 40.152 72.486 655 HB2 PRO 87 HB2 PRO 87 -1.907 41.926 71.523 656 HB3 PRO 87 HB3 PRO 87 -1.975 40.241 70.996 657 HG2 PRO 87 HG2 PRO 87 -3.066 42.689 69.663 658 HG3 PRO 87 HG3 PRO 87 -2.200 41.317 68.946 659 HD2 PRO 87 HD2 PRO 87 -4.894 41.566 68.822 660 HD3 PRO 87 HD3 PRO 87 -4.083 39.988 68.906 661 H GLN 88 H GLN 88 -2.300 42.307 73.349 662 HA GLN 88 HA GLN 88 -4.369 43.928 74.543 663 HB2 GLN 88 HB2 GLN 88 -2.106 44.996 75.527 664 HB3 GLN 88 HB3 GLN 88 -2.853 43.546 76.186 665 HG2 GLN 88 HG2 GLN 88 -1.344 42.141 74.970 666 HG3 GLN 88 HG3 GLN 88 -0.677 43.527 74.110 667 HE21 GLN 88 HE21 GLN 88 1.355 42.651 74.941 668 HE22 GLN 88 HE22 GLN 88 1.869 43.110 76.525 669 H TRP 89 H TRP 89 -1.371 44.622 72.740 670 HA TRP 89 HA TRP 89 -1.517 47.312 72.455 671 HD1 TRP 89 HD1 TRP 89 -1.735 45.292 68.414 672 HE1 TRP 89 HE1 TRP 89 -1.437 42.777 67.951 673 HE3 TRP 89 HE3 TRP 89 0.865 43.994 72.621 674 HZ2 TRP 89 HZ2 TRP 89 -0.257 40.540 69.203 675 HZ3 TRP 89 HZ3 TRP 89 1.541 41.646 72.911 676 HH2 TRP 89 HH2 TRP 89 0.990 39.956 71.237 677 HB2 TRP 89 HB2 TRP 89 -0.517 46.948 70.127 678 HB3 TRP 89 HB3 TRP 89 0.340 46.225 71.486 679 H GLN 90 H GLN 90 -3.774 45.046 71.259 680 HA GLN 90 HA GLN 90 -4.871 46.007 69.007 681 HB2 GLN 90 HB2 GLN 90 -5.947 44.178 70.039 682 HB3 GLN 90 HB3 GLN 90 -6.240 45.079 71.520 683 HG2 GLN 90 HG2 GLN 90 -7.542 46.505 69.498 684 HG3 GLN 90 HG3 GLN 90 -7.893 44.804 69.195 685 HE21 GLN 90 HE21 GLN 90 -10.020 46.135 69.766 686 HE22 GLN 90 HE22 GLN 90 -10.542 45.923 71.399 687 H GLU 91 H GLU 91 -5.622 47.333 72.230 688 HA GLU 91 HA GLU 91 -7.034 49.570 71.083 689 HB2 GLU 91 HB2 GLU 91 -6.352 48.723 73.883 690 HB3 GLU 91 HB3 GLU 91 -7.003 50.324 73.562 691 HG2 GLU 91 HG2 GLU 91 -9.064 49.533 73.004 692 HG3 GLU 91 HG3 GLU 91 -8.440 47.984 72.440 693 H TYR 92 H TYR 92 -4.075 49.187 73.029 694 HA TYR 92 HA TYR 92 -3.186 51.744 73.200 695 HD1 TYR 92 HD1 TYR 92 -3.031 47.973 74.057 696 HD2 TYR 92 HD2 TYR 92 -0.891 51.379 75.444 697 HE1 TYR 92 HE1 TYR 92 -3.375 47.236 76.378 698 HE2 TYR 92 HE2 TYR 92 -1.227 50.651 77.769 699 HH TYR 92 HH TYR 92 -3.336 48.851 78.846 700 HB2 TYR 92 HB2 TYR 92 -1.516 49.304 72.562 701 HB3 TYR 92 HB3 TYR 92 -0.873 50.837 73.139 702 H THR 93 H THR 93 -2.189 49.581 70.542 703 HA THR 93 HA THR 93 -0.872 51.319 68.932 704 HB THR 93 HB THR 93 -1.290 48.875 68.468 705 HG1 THR 93 HG1 THR 93 -1.610 50.791 66.384 706 HG21 THR 93 HG21 THR 93 -3.743 49.822 67.007 707 HG22 THR 93 HG22 THR 93 -3.821 49.163 68.641 708 HG23 THR 93 HG23 THR 93 -3.220 48.167 67.316 709 H ALA 94 H ALA 94 -4.367 51.035 69.278 710 HA ALA 94 HA ALA 94 -4.903 52.977 67.211 711 HB1 ALA 94 HB1 ALA 94 -6.439 51.097 68.784 712 HB2 ALA 94 HB2 ALA 94 -7.226 52.673 68.695 713 HB3 ALA 94 HB3 ALA 94 -6.800 51.813 67.214 714 H MET 95 H MET 95 -4.553 52.935 70.683 715 HA MET 95 HA MET 95 -5.794 55.392 71.270 716 HB2 MET 95 HB2 MET 95 -4.858 53.465 72.817 717 HB3 MET 95 HB3 MET 95 -3.419 54.477 72.834 718 HG2 MET 95 HG2 MET 95 -4.389 56.079 74.092 719 HG3 MET 95 HG3 MET 95 -5.979 55.835 73.375 720 HE1 MET 95 HE1 MET 95 -7.242 53.185 73.973 721 HE2 MET 95 HE2 MET 95 -7.790 53.504 75.619 722 HE3 MET 95 HE3 MET 95 -7.814 54.794 74.417 723 H LEU 96 H LEU 96 -2.768 54.628 69.812 724 HA LEU 96 HA LEU 96 -1.352 56.994 70.433 725 HG LEU 96 HG LEU 96 -0.958 53.766 69.782 726 HB2 LEU 96 HB2 LEU 96 -1.037 55.359 67.928 727 HB3 LEU 96 HB3 LEU 96 0.176 56.358 68.728 728 HD11 LEU 96 HD11 LEU 96 1.220 54.374 67.984 729 HD12 LEU 96 HD12 LEU 96 0.538 52.815 68.444 730 HD13 LEU 96 HD13 LEU 96 1.790 53.558 69.440 731 HD21 LEU 96 HD21 LEU 96 1.275 54.259 71.223 732 HD22 LEU 96 HD22 LEU 96 -0.355 54.683 71.747 733 HD23 LEU 96 HD23 LEU 96 0.671 55.901 70.988 734 H ARG 97 H ARG 97 -3.153 56.059 67.501 735 HA ARG 97 HA ARG 97 -2.956 58.697 66.383 736 HE ARG 97 HE ARG 97 -4.648 55.246 63.080 737 HB2 ARG 97 HB2 ARG 97 -4.582 57.751 64.683 738 HB3 ARG 97 HB3 ARG 97 -3.035 56.924 64.816 739 HG2 ARG 97 HG2 ARG 97 -4.788 55.663 66.624 740 HG3 ARG 97 HG3 ARG 97 -5.667 55.873 65.108 741 HD2 ARG 97 HD2 ARG 97 -2.871 54.794 65.139 742 HD3 ARG 97 HD3 ARG 97 -4.251 53.740 65.445 743 HH11 ARG 97 HH11 ARG 97 -2.860 52.543 64.351 744 HH12 ARG 97 HH12 ARG 97 -2.722 51.746 62.817 745 HH21 ARG 97 HH21 ARG 97 -4.474 54.207 61.056 746 HH22 ARG 97 HH22 ARG 97 -3.639 52.695 60.945 747 H GLU 98 H GLU 98 -5.416 56.826 68.078 748 HA GLU 98 HA GLU 98 -7.502 58.736 67.714 749 HB2 GLU 98 HB2 GLU 98 -8.003 56.390 68.166 750 HB3 GLU 98 HB3 GLU 98 -7.209 56.503 69.730 751 HG2 GLU 98 HG2 GLU 98 -8.913 58.274 70.319 752 HG3 GLU 98 HG3 GLU 98 -9.774 57.794 68.857 753 H ARG 99 H ARG 99 -5.483 57.874 70.522 754 HA ARG 99 HA ARG 99 -6.308 60.350 71.844 755 HE ARG 99 HE ARG 99 -8.299 57.623 74.687 756 HB2 ARG 99 HB2 ARG 99 -6.095 57.891 72.878 757 HB3 ARG 99 HB3 ARG 99 -4.450 58.442 73.164 758 HG2 ARG 99 HG2 ARG 99 -5.530 59.006 75.125 759 HG3 ARG 99 HG3 ARG 99 -5.572 60.516 74.212 760 HD2 ARG 99 HD2 ARG 99 -7.757 60.448 74.810 761 HD3 ARG 99 HD3 ARG 99 -7.867 59.448 73.363 762 HH11 ARG 99 HH11 ARG 99 -7.161 60.253 76.663 763 HH12 ARG 99 HH12 ARG 99 -7.536 59.464 78.159 764 HH21 ARG 99 HH21 ARG 99 -8.798 56.574 76.650 765 HH22 ARG 99 HH22 ARG 99 -8.466 57.370 78.151 766 H PHE 100 H PHE 100 -4.377 60.111 69.537 767 HA PHE 100 HA PHE 100 -1.746 60.465 70.205 768 HD1 PHE 100 HD1 PHE 100 -5.120 61.859 68.139 769 HD2 PHE 100 HD2 PHE 100 -1.306 63.697 67.702 770 HE1 PHE 100 HE1 PHE 100 -6.211 63.945 67.424 771 HE2 PHE 100 HE2 PHE 100 -2.391 65.786 66.987 772 HZ PHE 100 HZ PHE 100 -4.847 65.912 66.848 773 HB2 PHE 100 HB2 PHE 100 -1.439 61.411 68.108 774 HB3 PHE 100 HB3 PHE 100 -2.955 60.544 67.891 775 H ALA 101 H ALA 101 -4.315 62.903 70.262 776 HA ALA 101 HA ALA 101 -2.944 65.199 70.776 777 HB1 ALA 101 HB1 ALA 101 -5.497 64.728 70.676 778 HB2 ALA 101 HB2 ALA 101 -5.358 64.594 72.429 779 HB3 ALA 101 HB3 ALA 101 -4.899 66.092 71.620 780 H GLY 102 H GLY 102 -3.301 62.455 72.880 781 HA2 GLY 102 HA2 GLY 102 -2.463 63.840 75.264 782 HA3 GLY 102 HA3 GLY 102 -2.666 62.104 75.080 783 H LEU 103 H LEU 103 -0.941 61.429 73.127 784 HA LEU 103 HA LEU 103 1.600 61.726 74.461 785 HG LEU 103 HG LEU 103 -0.294 60.595 71.567 786 HB2 LEU 103 HB2 LEU 103 2.402 60.169 72.695 787 HB3 LEU 103 HB3 LEU 103 1.057 59.556 73.655 788 HD11 LEU 103 HD11 LEU 103 1.030 59.722 69.545 789 HD12 LEU 103 HD12 LEU 103 2.446 59.889 70.582 790 HD13 LEU 103 HD13 LEU 103 1.457 61.300 70.207 791 HD21 LEU 103 HD21 LEU 103 -0.959 58.481 71.785 792 HD22 LEU 103 HD22 LEU 103 0.606 57.976 72.424 793 HD23 LEU 103 HD23 LEU 103 0.348 58.052 70.680 794 H ASP 104 H ASP 104 0.186 63.928 72.828 795 HA ASP 104 HA ASP 104 1.355 64.651 70.518 796 HB2 ASP 104 HB2 ASP 104 0.355 66.130 72.843 797 HB3 ASP 104 HB3 ASP 104 1.535 67.030 71.892 798 H THR 105 H THR 105 2.890 64.784 73.692 799 HA THR 105 HA THR 105 5.147 66.198 73.326 800 HB THR 105 HB THR 105 6.360 64.381 74.683 801 HG1 THR 105 HG1 THR 105 4.853 62.855 75.617 802 HG21 THR 105 HG21 THR 105 4.201 64.847 76.441 803 HG22 THR 105 HG22 THR 105 4.314 66.255 75.385 804 HG23 THR 105 HG23 THR 105 5.716 65.742 76.323 805 H ILE 106 H ILE 106 4.691 62.853 72.214 806 HA ILE 106 HA ILE 106 6.686 63.317 70.136 807 HB ILE 106 HB ILE 106 8.076 61.534 70.636 808 HG12 ILE 106 HG12 ILE 106 6.301 59.860 70.948 809 HG13 ILE 106 HG13 ILE 106 7.531 59.727 72.200 810 HG21 ILE 106 HG21 ILE 106 7.366 62.224 73.456 811 HG22 ILE 106 HG22 ILE 106 8.954 62.006 72.723 812 HG23 ILE 106 HG23 ILE 106 8.014 63.457 72.376 813 HD11 ILE 106 HD11 ILE 106 5.556 61.486 73.168 814 HD12 ILE 106 HD12 ILE 106 4.725 60.094 72.473 815 HD13 ILE 106 HD13 ILE 106 5.943 59.859 73.727 Start of MODEL 13 1 H LYS 1 H LYS 1 33.585 71.650 59.871 2 HA LYS 1 HA LYS 1 35.024 72.648 61.891 3 HB2 LYS 1 HB2 LYS 1 33.653 73.754 59.722 4 HB3 LYS 1 HB3 LYS 1 33.100 74.677 61.114 5 HG2 LYS 1 HG2 LYS 1 35.041 75.752 61.308 6 HG3 LYS 1 HG3 LYS 1 35.982 74.274 61.093 7 HD2 LYS 1 HD2 LYS 1 36.566 75.100 59.102 8 HD3 LYS 1 HD3 LYS 1 34.918 74.735 58.585 9 HE2 LYS 1 HE2 LYS 1 35.346 77.289 60.020 10 HE3 LYS 1 HE3 LYS 1 36.002 77.171 58.388 11 HZ1 LYS 1 HZ1 LYS 1 33.454 77.832 58.998 12 HZ2 LYS 1 HZ2 LYS 1 33.309 76.189 58.621 13 HZ3 LYS 1 HZ3 LYS 1 33.975 77.258 57.494 14 H GLN 2 H GLN 2 31.490 72.507 61.857 15 HA GLN 2 HA GLN 2 31.502 72.732 64.767 16 HB2 GLN 2 HB2 GLN 2 29.850 74.492 62.950 17 HB3 GLN 2 HB3 GLN 2 29.596 74.343 64.683 18 HG2 GLN 2 HG2 GLN 2 32.284 74.937 64.461 19 HG3 GLN 2 HG3 GLN 2 31.522 75.928 63.217 20 HE21 GLN 2 HE21 GLN 2 32.540 75.993 66.279 21 HE22 GLN 2 HE22 GLN 2 31.456 77.157 66.950 22 H GLN 3 H GLN 3 29.813 71.676 65.782 23 HA GLN 3 HA GLN 3 28.163 70.137 66.058 24 HB2 GLN 3 HB2 GLN 3 27.275 71.230 63.386 25 HB3 GLN 3 HB3 GLN 3 26.330 70.104 64.351 26 HG2 GLN 3 HG2 GLN 3 27.177 72.864 65.200 27 HG3 GLN 3 HG3 GLN 3 25.573 72.403 64.632 28 HE21 GLN 3 HE21 GLN 3 27.505 72.844 67.304 29 HE22 GLN 3 HE22 GLN 3 26.543 72.013 68.474 30 H LEU 4 H LEU 4 30.601 69.208 65.095 31 HA LEU 4 HA LEU 4 30.122 67.384 62.908 32 HG LEU 4 HG LEU 4 31.813 69.419 62.773 33 HB2 LEU 4 HB2 LEU 4 32.473 67.614 64.781 34 HB3 LEU 4 HB3 LEU 4 32.415 66.637 63.317 35 HD11 LEU 4 HD11 LEU 4 34.142 70.216 63.144 36 HD12 LEU 4 HD12 LEU 4 34.435 68.766 64.103 37 HD13 LEU 4 HD13 LEU 4 33.228 69.941 64.628 38 HD21 LEU 4 HD21 LEU 4 32.390 67.786 61.069 39 HD22 LEU 4 HD22 LEU 4 33.963 67.528 61.824 40 HD23 LEU 4 HD23 LEU 4 33.578 69.089 61.100 41 H GLN 5 H GLN 5 30.922 67.026 66.365 42 HA GLN 5 HA GLN 5 30.411 65.405 67.877 43 HB2 GLN 5 HB2 GLN 5 28.183 65.475 66.092 44 HB3 GLN 5 HB3 GLN 5 28.504 63.798 66.512 45 HG2 GLN 5 HG2 GLN 5 28.540 64.583 68.932 46 HG3 GLN 5 HG3 GLN 5 27.833 66.083 68.333 47 HE21 GLN 5 HE21 GLN 5 26.642 64.257 70.166 48 HE22 GLN 5 HE22 GLN 5 25.200 63.654 69.432 49 H GLU 6 H GLU 6 32.487 65.010 65.914 50 HA GLU 6 HA GLU 6 32.380 62.178 65.254 51 HB2 GLU 6 HB2 GLU 6 33.398 64.154 63.837 52 HB3 GLU 6 HB3 GLU 6 34.815 63.860 64.835 53 HG2 GLU 6 HG2 GLU 6 35.365 62.042 63.689 54 HG3 GLU 6 HG3 GLU 6 33.723 61.406 63.754 55 H HIS 7 H HIS 7 34.132 64.372 67.388 56 HA HIS 7 HA HIS 7 36.188 63.000 68.382 57 HD1 HIS 7 HD1 HIS 7 37.810 64.915 69.798 58 HD2 HIS 7 HD2 HIS 7 34.325 66.872 68.662 59 HE1 HIS 7 HE1 HIS 7 38.542 67.187 69.008 60 HB2 HIS 7 HB2 HIS 7 34.059 64.464 69.939 61 HB3 HIS 7 HB3 HIS 7 35.528 63.851 70.693 62 H ALA 8 H ALA 8 32.821 62.365 69.332 63 HA ALA 8 HA ALA 8 33.501 59.585 69.835 64 HB1 ALA 8 HB1 ALA 8 33.166 59.517 72.067 65 HB2 ALA 8 HB2 ALA 8 33.668 61.206 71.968 66 HB3 ALA 8 HB3 ALA 8 31.953 60.798 72.034 67 HA PRO 9 HA PRO 9 29.511 59.397 67.858 68 HB2 PRO 9 HB2 PRO 9 29.387 56.687 67.746 69 HB3 PRO 9 HB3 PRO 9 30.371 57.651 66.637 70 HG2 PRO 9 HG2 PRO 9 31.198 56.164 69.101 71 HG3 PRO 9 HG3 PRO 9 32.008 56.257 67.526 72 HD2 PRO 9 HD2 PRO 9 32.794 57.730 69.657 73 HD3 PRO 9 HD3 PRO 9 32.943 58.312 67.986 74 H SER 10 H SER 10 27.419 58.293 68.293 75 HA SER 10 HA SER 10 26.941 57.055 70.813 76 HG SER 10 HG SER 10 27.974 58.658 72.111 77 HB2 SER 10 HB2 SER 10 26.637 59.993 70.583 78 HB3 SER 10 HB3 SER 10 25.299 59.138 71.352 79 H HIS 11 H HIS 11 24.681 56.523 71.134 80 HA HIS 11 HA HIS 11 23.322 56.163 68.591 81 HD1 HIS 11 HD1 HIS 11 23.715 53.255 68.293 82 HD2 HIS 11 HD2 HIS 11 24.728 53.916 72.267 83 HE1 HIS 11 HE1 HIS 11 25.594 51.656 68.783 84 HB2 HIS 11 HB2 HIS 11 22.481 55.160 71.315 85 HB3 HIS 11 HB3 HIS 11 21.916 54.587 69.748 86 H ALA 12 H ALA 12 20.781 56.243 68.857 87 HA ALA 12 HA ALA 12 20.027 58.717 70.252 88 HB1 ALA 12 HB1 ALA 12 20.524 59.000 67.737 89 HB2 ALA 12 HB2 ALA 12 18.991 58.160 67.497 90 HB3 ALA 12 HB3 ALA 12 19.034 59.682 68.386 91 H ASN 13 H ASN 13 17.707 58.950 70.579 92 HA ASN 13 HA ASN 13 16.513 56.650 71.613 93 HB2 ASN 13 HB2 ASN 13 14.785 58.016 72.259 94 HB3 ASN 13 HB3 ASN 13 16.005 59.242 71.926 95 HD21 ASN 13 HD21 ASN 13 15.819 60.518 70.094 96 HD22 ASN 13 HD22 ASN 13 14.349 60.629 69.194 97 H LEU 14 H LEU 14 16.202 58.178 68.460 98 HA LEU 14 HA LEU 14 13.994 56.733 67.513 99 HG LEU 14 HG LEU 14 17.383 57.525 66.411 100 HB2 LEU 14 HB2 LEU 14 14.678 57.407 65.314 101 HB3 LEU 14 HB3 LEU 14 14.921 58.744 66.436 102 HD11 LEU 14 HD11 LEU 14 16.773 57.738 63.523 103 HD12 LEU 14 HD12 LEU 14 16.234 56.279 64.355 104 HD13 LEU 14 HD13 LEU 14 17.941 56.720 64.368 105 HD21 LEU 14 HD21 LEU 14 17.564 59.768 66.291 106 HD22 LEU 14 HD22 LEU 14 16.145 59.933 65.256 107 HD23 LEU 14 HD23 LEU 14 17.694 59.464 64.558 108 H ASP 15 H ASP 15 17.259 55.801 68.037 109 HA ASP 15 HA ASP 15 17.142 53.518 66.253 110 HB2 ASP 15 HB2 ASP 15 19.225 54.992 67.024 111 HB3 ASP 15 HB3 ASP 15 19.286 53.783 68.304 112 H VAL 16 H VAL 16 15.784 51.951 66.886 113 HA VAL 16 HA VAL 16 16.257 50.726 69.501 114 HB VAL 16 HB VAL 16 13.492 51.386 68.478 115 HG11 VAL 16 HG11 VAL 16 13.978 50.393 71.227 116 HG12 VAL 16 HG12 VAL 16 12.600 50.137 70.155 117 HG13 VAL 16 HG13 VAL 16 14.089 49.224 69.911 118 HG21 VAL 16 HG21 VAL 16 14.976 53.249 69.486 119 HG22 VAL 16 HG22 VAL 16 13.331 53.050 70.089 120 HG23 VAL 16 HG23 VAL 16 14.693 52.423 71.018 121 H LYS 17 H LYS 17 16.158 48.541 69.489 122 HA LYS 17 HA LYS 17 16.256 47.151 67.052 123 HB2 LYS 17 HB2 LYS 17 15.666 45.963 69.766 124 HB3 LYS 17 HB3 LYS 17 16.359 45.139 68.375 125 HG2 LYS 17 HG2 LYS 17 18.385 46.399 68.555 126 HG3 LYS 17 HG3 LYS 17 17.688 47.426 69.810 127 HD2 LYS 17 HD2 LYS 17 18.131 45.933 71.420 128 HD3 LYS 17 HD3 LYS 17 17.544 44.583 70.446 129 HE2 LYS 17 HE2 LYS 17 19.615 44.224 69.468 130 HE3 LYS 17 HE3 LYS 17 20.175 45.860 69.815 131 HZ1 LYS 17 HZ1 LYS 17 20.833 43.673 71.239 132 HZ2 LYS 17 HZ2 LYS 17 19.561 44.300 72.160 133 HZ3 LYS 17 HZ3 LYS 17 20.911 45.260 71.822 134 H TRP 18 H TRP 18 14.809 45.036 66.871 135 HA TRP 18 HA TRP 18 12.317 45.804 65.962 136 HD1 TRP 18 HD1 TRP 18 15.611 43.364 66.350 137 HE1 TRP 18 HE1 TRP 18 16.765 43.054 64.070 138 HE3 TRP 18 HE3 TRP 18 11.509 43.675 63.314 139 HZ2 TRP 18 HZ2 TRP 18 16.034 42.955 61.346 140 HZ3 TRP 18 HZ3 TRP 18 11.822 43.462 60.884 141 HH2 TRP 18 HH2 TRP 18 14.038 43.110 59.922 142 HB2 TRP 18 HB2 TRP 18 12.943 43.043 67.016 143 HB3 TRP 18 HB3 TRP 18 11.792 43.478 65.754 144 H LEU 19 H LEU 19 10.223 44.627 66.831 145 HA LEU 19 HA LEU 19 9.393 45.950 69.114 146 HG LEU 19 HG LEU 19 7.257 45.145 70.084 147 HB2 LEU 19 HB2 LEU 19 7.891 44.969 67.433 148 HB3 LEU 19 HB3 LEU 19 8.314 43.359 68.012 149 HD11 LEU 19 HD11 LEU 19 5.969 45.809 68.020 150 HD12 LEU 19 HD12 LEU 19 5.008 45.186 69.360 151 HD13 LEU 19 HD13 LEU 19 5.358 44.155 67.972 152 HD21 LEU 19 HD21 LEU 19 6.296 43.203 70.881 153 HD22 LEU 19 HD22 LEU 19 7.740 42.590 70.074 154 HD23 LEU 19 HD23 LEU 19 6.169 42.480 69.277 155 H ASP 20 H ASP 20 10.987 42.862 68.789 156 HA ASP 20 HA ASP 20 10.437 41.728 71.269 157 HB2 ASP 20 HB2 ASP 20 11.539 40.295 69.811 158 HB3 ASP 20 HB3 ASP 20 12.728 41.511 69.353 159 H GLY 21 H GLY 21 11.234 41.966 73.302 160 HA2 GLY 21 HA2 GLY 21 12.051 44.318 74.332 161 HA3 GLY 21 HA3 GLY 21 12.544 42.782 75.030 162 H LEU 22 H LEU 22 14.060 45.184 75.102 163 HA LEU 22 HA LEU 22 16.307 44.529 73.316 164 HG LEU 22 HG LEU 22 16.242 46.482 71.750 165 HB2 LEU 22 HB2 LEU 22 15.408 47.089 74.585 166 HB3 LEU 22 HB3 LEU 22 17.070 46.886 74.036 167 HD11 LEU 22 HD11 LEU 22 13.771 47.309 71.465 168 HD12 LEU 22 HD12 LEU 22 13.613 46.738 73.126 169 HD13 LEU 22 HD13 LEU 22 14.121 45.625 71.855 170 HD21 LEU 22 HD21 LEU 22 15.421 48.812 71.346 171 HD22 LEU 22 HD22 LEU 22 16.914 48.709 72.281 172 HD23 LEU 22 HD23 LEU 22 15.385 49.039 73.095 173 H ARG 23 H ARG 23 17.727 43.267 74.328 174 HA ARG 23 HA ARG 23 18.020 43.082 77.126 175 HE ARG 23 HE ARG 23 19.850 40.782 71.985 176 HB2 ARG 23 HB2 ARG 23 19.972 41.703 76.654 177 HB3 ARG 23 HB3 ARG 23 18.647 41.274 75.580 178 HG2 ARG 23 HG2 ARG 23 19.776 42.894 73.918 179 HG3 ARG 23 HG3 ARG 23 21.191 42.710 74.956 180 HD2 ARG 23 HD2 ARG 23 21.565 40.588 74.289 181 HD3 ARG 23 HD3 ARG 23 19.846 40.204 74.207 182 HH11 ARG 23 HH11 ARG 23 22.805 41.861 73.474 183 HH12 ARG 23 HH12 ARG 23 23.559 42.288 71.974 184 HH21 ARG 23 HH21 ARG 23 20.833 41.339 70.002 185 HH22 ARG 23 HH22 ARG 23 22.436 41.991 70.000 186 H ALA 24 H ALA 24 19.348 45.244 74.798 187 HA ALA 24 HA ALA 24 21.739 46.018 75.967 188 HB1 ALA 24 HB1 ALA 24 21.756 47.662 74.431 189 HB2 ALA 24 HB2 ALA 24 20.348 46.814 73.791 190 HB3 ALA 24 HB3 ALA 24 20.133 48.211 74.847 191 H GLY 25 H GLY 25 18.592 47.667 76.367 192 HA2 GLY 25 HA2 GLY 25 19.288 48.205 79.161 193 HA3 GLY 25 HA3 GLY 25 18.982 49.586 78.118 194 H SER 26 H SER 26 16.850 49.104 76.715 195 HA SER 26 HA SER 26 14.576 49.021 76.739 196 HG SER 26 HG SER 26 12.704 47.741 78.276 197 HB2 SER 26 HB2 SER 26 15.099 46.590 77.280 198 HB3 SER 26 HB3 SER 26 14.810 46.999 78.972 199 H MET 27 H MET 27 15.617 51.119 78.089 200 HA MET 27 HA MET 27 14.532 51.312 80.746 201 HB2 MET 27 HB2 MET 27 15.631 53.493 78.964 202 HB3 MET 27 HB3 MET 27 15.342 53.612 80.695 203 HG2 MET 27 HG2 MET 27 17.115 52.185 81.210 204 HG3 MET 27 HG3 MET 27 17.210 51.566 79.564 205 HE1 MET 27 HE1 MET 27 18.967 54.358 77.599 206 HE2 MET 27 HE2 MET 27 18.421 52.680 77.617 207 HE3 MET 27 HE3 MET 27 17.243 53.991 77.665 208 H ALA 28 H ALA 28 12.996 51.146 77.944 209 HA ALA 28 HA ALA 28 10.858 52.957 78.831 210 HB1 ALA 28 HB1 ALA 28 10.633 54.001 76.829 211 HB2 ALA 28 HB2 ALA 28 12.357 53.642 76.736 212 HB3 ALA 28 HB3 ALA 28 11.194 52.605 75.911 213 H LEU 29 H LEU 29 9.340 51.560 79.492 214 HA LEU 29 HA LEU 29 8.958 48.973 78.397 215 HG LEU 29 HG LEU 29 6.539 47.979 79.310 216 HB2 LEU 29 HB2 LEU 29 8.289 49.991 80.712 217 HB3 LEU 29 HB3 LEU 29 6.799 50.416 79.872 218 HD11 LEU 29 HD11 LEU 29 7.936 46.377 80.089 219 HD12 LEU 29 HD12 LEU 29 8.365 47.293 81.533 220 HD13 LEU 29 HD13 LEU 29 9.104 47.694 79.983 221 HD21 LEU 29 HD21 LEU 29 6.636 48.258 82.275 222 HD22 LEU 29 HD22 LEU 29 5.379 47.573 81.246 223 HD23 LEU 29 HD23 LEU 29 5.577 49.323 81.348 224 H GLN 30 H GLN 30 7.366 52.082 77.891 225 HA GLN 30 HA GLN 30 5.558 50.886 75.934 226 HB2 GLN 30 HB2 GLN 30 4.465 53.083 75.900 227 HB3 GLN 30 HB3 GLN 30 4.588 52.450 77.536 228 HG2 GLN 30 HG2 GLN 30 6.886 53.925 77.281 229 HG3 GLN 30 HG3 GLN 30 5.705 54.870 76.376 230 HE21 GLN 30 HE21 GLN 30 7.016 55.519 78.871 231 HE22 GLN 30 HE22 GLN 30 5.764 55.742 80.040 232 H GLY 31 H GLY 31 8.631 51.959 75.907 233 HA2 GLY 31 HA2 GLY 31 8.946 53.804 73.904 234 HA3 GLY 31 HA3 GLY 31 10.055 52.467 74.172 235 H ASP 32 H ASP 32 7.688 50.615 73.595 236 HA ASP 32 HA ASP 32 8.301 50.160 70.870 237 HB2 ASP 32 HB2 ASP 32 6.246 49.048 72.762 238 HB3 ASP 32 HB3 ASP 32 6.232 48.604 71.058 239 H VAL 33 H VAL 33 5.249 51.208 72.397 240 HA VAL 33 HA VAL 33 4.133 51.970 69.850 241 HB VAL 33 HB VAL 33 2.219 52.810 71.219 242 HG11 VAL 33 HG11 VAL 33 2.471 50.149 72.335 243 HG12 VAL 33 HG12 VAL 33 1.368 50.755 71.099 244 HG13 VAL 33 HG13 VAL 33 2.982 50.206 70.648 245 HG21 VAL 33 HG21 VAL 33 2.656 51.622 73.684 246 HG22 VAL 33 HG22 VAL 33 4.169 52.458 73.334 247 HG23 VAL 33 HG23 VAL 33 2.649 53.351 73.340 248 H LYS 34 H LYS 34 5.621 53.568 72.593 249 HA LYS 34 HA LYS 34 4.900 56.190 72.225 250 HB2 LYS 34 HB2 LYS 34 6.233 55.774 74.095 251 HB3 LYS 34 HB3 LYS 34 7.445 54.910 73.160 252 HG2 LYS 34 HG2 LYS 34 8.159 57.017 72.142 253 HG3 LYS 34 HG3 LYS 34 6.949 57.880 73.095 254 HD2 LYS 34 HD2 LYS 34 8.043 57.192 75.151 255 HD3 LYS 34 HD3 LYS 34 9.216 56.244 74.234 256 HE2 LYS 34 HE2 LYS 34 10.051 58.275 73.181 257 HE3 LYS 34 HE3 LYS 34 8.850 59.234 74.046 258 HZ1 LYS 34 HZ1 LYS 34 10.850 57.572 75.459 259 HZ2 LYS 34 HZ2 LYS 34 9.902 58.828 76.082 260 HZ3 LYS 34 HZ3 LYS 34 11.166 59.172 75.013 261 H VAL 35 H VAL 35 7.356 54.351 70.474 262 HA VAL 35 HA VAL 35 8.015 56.653 68.819 263 HB VAL 35 HB VAL 35 9.751 55.327 67.861 264 HG11 VAL 35 HG11 VAL 35 10.850 54.389 70.002 265 HG12 VAL 35 HG12 VAL 35 10.497 56.116 69.916 266 HG13 VAL 35 HG13 VAL 35 9.433 55.042 70.826 267 HG21 VAL 35 HG21 VAL 35 8.383 53.264 67.603 268 HG22 VAL 35 HG22 VAL 35 10.011 52.964 68.212 269 HG23 VAL 35 HG23 VAL 35 8.638 52.931 69.316 270 H TRP 36 H TRP 36 6.149 53.722 68.681 271 HA TRP 36 HA TRP 36 5.890 53.158 66.038 272 HD1 TRP 36 HD1 TRP 36 3.395 50.540 65.683 273 HE1 TRP 36 HE1 TRP 36 1.252 50.947 64.319 274 HE3 TRP 36 HE3 TRP 36 2.384 55.327 67.167 275 HZ2 TRP 36 HZ2 TRP 36 -0.620 53.022 63.923 276 HZ3 TRP 36 HZ3 TRP 36 0.398 56.451 66.248 277 HH2 TRP 36 HH2 TRP 36 -1.072 55.321 64.659 278 HB2 TRP 36 HB2 TRP 36 4.655 51.819 67.528 279 HB3 TRP 36 HB3 TRP 36 3.827 53.207 68.228 280 H MET 37 H MET 37 4.846 56.036 67.647 281 HA MET 37 HA MET 37 3.116 56.888 65.490 282 HB2 MET 37 HB2 MET 37 2.931 58.986 66.807 283 HB3 MET 37 HB3 MET 37 2.514 57.549 67.731 284 HG2 MET 37 HG2 MET 37 5.168 57.798 68.273 285 HG3 MET 37 HG3 MET 37 4.670 59.481 68.121 286 HE1 MET 37 HE1 MET 37 1.823 56.880 70.008 287 HE2 MET 37 HE2 MET 37 3.202 56.254 69.102 288 HE3 MET 37 HE3 MET 37 3.229 56.248 70.865 289 H GLN 38 H GLN 38 6.306 57.747 66.774 290 HA GLN 38 HA GLN 38 6.803 59.845 64.940 291 HB2 GLN 38 HB2 GLN 38 8.971 59.919 65.819 292 HB3 GLN 38 HB3 GLN 38 7.995 59.335 67.159 293 HG2 GLN 38 HG2 GLN 38 8.788 57.143 66.929 294 HG3 GLN 38 HG3 GLN 38 9.443 57.461 65.324 295 HE21 GLN 38 HE21 GLN 38 11.297 58.854 65.167 296 HE22 GLN 38 HE22 GLN 38 12.416 58.946 66.480 297 H ASN 39 H ASN 39 7.318 56.381 64.842 298 HA ASN 39 HA ASN 39 9.090 56.224 62.692 299 HB2 ASN 39 HB2 ASN 39 7.318 54.411 64.126 300 HB3 ASN 39 HB3 ASN 39 7.435 54.007 62.416 301 HD21 ASN 39 HD21 ASN 39 8.412 52.061 63.465 302 HD22 ASN 39 HD22 ASN 39 10.119 52.081 63.729 303 H LEU 40 H LEU 40 5.578 56.526 62.762 304 HA LEU 40 HA LEU 40 5.337 56.295 59.895 305 HG LEU 40 HG LEU 40 3.583 56.026 63.199 306 HB2 LEU 40 HB2 LEU 40 3.101 57.453 61.411 307 HB3 LEU 40 HB3 LEU 40 3.118 56.138 60.237 308 HD11 LEU 40 HD11 LEU 40 2.048 53.890 62.317 309 HD12 LEU 40 HD12 LEU 40 1.506 55.254 61.339 310 HD13 LEU 40 HD13 LEU 40 1.466 55.360 63.099 311 HD21 LEU 40 HD21 LEU 40 5.278 54.606 62.783 312 HD22 LEU 40 HD22 LEU 40 4.791 54.348 61.107 313 HD23 LEU 40 HD23 LEU 40 3.983 53.469 62.405 314 H GLU 41 H GLU 41 4.766 58.895 62.269 315 HA GLU 41 HA GLU 41 4.125 60.972 60.633 316 HB2 GLU 41 HB2 GLU 41 4.696 60.779 63.258 317 HB3 GLU 41 HB3 GLU 41 6.142 61.614 62.707 318 HG2 GLU 41 HG2 GLU 41 4.757 63.370 61.726 319 HG3 GLU 41 HG3 GLU 41 3.308 62.536 62.285 320 H ASP 42 H ASP 42 7.299 59.559 61.110 321 HA ASP 42 HA ASP 42 8.631 61.590 59.539 322 HB2 ASP 42 HB2 ASP 42 9.545 60.061 61.520 323 HB3 ASP 42 HB3 ASP 42 9.953 58.995 60.177 324 H LEU 43 H LEU 43 7.262 58.425 59.064 325 HA LEU 43 HA LEU 43 8.490 58.091 56.457 326 HG LEU 43 HG LEU 43 7.222 54.559 56.448 327 HB2 LEU 43 HB2 LEU 43 7.985 56.220 58.100 328 HB3 LEU 43 HB3 LEU 43 6.293 56.422 57.652 329 HD11 LEU 43 HD11 LEU 43 6.304 55.070 54.442 330 HD12 LEU 43 HD12 LEU 43 7.193 56.585 54.292 331 HD13 LEU 43 HD13 LEU 43 5.770 56.497 55.329 332 HD21 LEU 43 HD21 LEU 43 9.104 54.783 54.939 333 HD22 LEU 43 HD22 LEU 43 9.582 55.245 56.572 334 HD23 LEU 43 HD23 LEU 43 9.272 56.487 55.360 335 H HIS 44 H HIS 44 5.122 58.181 57.638 336 HA HIS 44 HA HIS 44 3.754 58.331 55.302 337 HD1 HIS 44 HD1 HIS 44 2.843 62.067 57.253 338 HD2 HIS 44 HD2 HIS 44 0.279 59.254 55.587 339 HE1 HIS 44 HE1 HIS 44 0.915 63.384 56.319 340 HB2 HIS 44 HB2 HIS 44 2.368 58.337 57.149 341 HB3 HIS 44 HB3 HIS 44 3.299 59.583 57.977 342 H THR 45 H THR 45 5.325 61.052 56.948 343 HA THR 45 HA THR 45 4.553 63.195 55.487 344 HB THR 45 HB THR 45 6.166 63.398 57.301 345 HG1 THR 45 HG1 THR 45 6.908 65.173 56.409 346 HG21 THR 45 HG21 THR 45 8.579 62.828 55.823 347 HG22 THR 45 HG22 THR 45 7.557 61.396 55.933 348 HG23 THR 45 HG23 THR 45 8.065 62.232 57.400 349 H ARG 46 H ARG 46 6.692 60.625 54.432 350 HA ARG 46 HA ARG 46 7.128 61.982 51.872 351 HE ARG 46 HE ARG 46 11.434 60.796 49.947 352 HB2 ARG 46 HB2 ARG 46 9.030 60.922 53.212 353 HB3 ARG 46 HB3 ARG 46 8.349 59.369 52.743 354 HG2 ARG 46 HG2 ARG 46 9.964 59.689 51.140 355 HG3 ARG 46 HG3 ARG 46 8.525 60.312 50.332 356 HD2 ARG 46 HD2 ARG 46 9.255 62.457 50.389 357 HD3 ARG 46 HD3 ARG 46 10.071 62.249 51.938 358 HH11 ARG 46 HH11 ARG 46 10.833 64.066 50.981 359 HH12 ARG 46 HH12 ARG 46 12.323 64.679 50.343 360 HH21 ARG 46 HH21 ARG 46 13.398 61.591 49.104 361 HH22 ARG 46 HH22 ARG 46 13.780 63.271 49.275 362 H ARG 47 H ARG 47 6.276 58.714 53.026 363 HA ARG 47 HA ARG 47 4.333 58.512 50.847 364 HE ARG 47 HE ARG 47 5.608 56.981 47.137 365 HB2 ARG 47 HB2 ARG 47 6.497 57.463 50.124 366 HB3 ARG 47 HB3 ARG 47 6.322 56.319 51.447 367 HG2 ARG 47 HG2 ARG 47 4.602 55.199 50.439 368 HG3 ARG 47 HG3 ARG 47 4.086 56.606 49.508 369 HD2 ARG 47 HD2 ARG 47 6.575 54.973 49.021 370 HD3 ARG 47 HD3 ARG 47 5.091 54.902 48.072 371 HH11 ARG 47 HH11 ARG 47 7.984 55.984 49.477 372 HH12 ARG 47 HH12 ARG 47 9.166 57.143 48.966 373 HH21 ARG 47 HH21 ARG 47 7.155 58.511 46.453 374 HH22 ARG 47 HH22 ARG 47 8.692 58.581 47.245 375 HA PRO 48 HA PRO 48 2.011 57.054 54.362 376 HB2 PRO 48 HB2 PRO 48 -0.317 56.682 53.015 377 HB3 PRO 48 HB3 PRO 48 0.260 58.276 53.516 378 HG2 PRO 48 HG2 PRO 48 0.453 56.947 50.840 379 HG3 PRO 48 HG3 PRO 48 0.035 58.627 51.228 380 HD2 PRO 48 HD2 PRO 48 2.501 57.896 50.380 381 HD3 PRO 48 HD3 PRO 48 2.239 59.241 51.509 382 H ASP 49 H ASP 49 1.530 55.438 51.213 383 HA ASP 49 HA ASP 49 0.628 52.995 52.107 384 HB2 ASP 49 HB2 ASP 49 0.847 53.785 49.707 385 HB3 ASP 49 HB3 ASP 49 2.541 53.311 49.793 386 H GLU 50 H GLU 50 3.895 54.248 52.081 387 HA GLU 50 HA GLU 50 5.005 51.682 52.899 388 HB2 GLU 50 HB2 GLU 50 6.014 53.991 51.581 389 HB3 GLU 50 HB3 GLU 50 6.919 53.795 53.076 390 HG2 GLU 50 HG2 GLU 50 7.665 51.649 52.465 391 HG3 GLU 50 HG3 GLU 50 6.500 51.535 51.148 392 H PHE 51 H PHE 51 3.774 54.528 54.308 393 HA PHE 51 HA PHE 51 5.251 54.892 56.600 394 HD1 PHE 51 HD1 PHE 51 3.164 54.441 59.093 395 HD2 PHE 51 HD2 PHE 51 0.614 55.283 55.791 396 HE1 PHE 51 HE1 PHE 51 1.249 53.544 60.349 397 HE2 PHE 51 HE2 PHE 51 -1.307 54.387 57.042 398 HZ PHE 51 HZ PHE 51 -0.991 53.516 59.325 399 HB2 PHE 51 HB2 PHE 51 3.591 56.302 57.153 400 HB3 PHE 51 HB3 PHE 51 2.828 55.824 55.639 401 H THR 52 H THR 52 2.553 52.625 56.122 402 HA THR 52 HA THR 52 2.583 51.528 58.710 403 HB THR 52 HB THR 52 1.258 49.713 57.828 404 HG1 THR 52 HG1 THR 52 2.731 49.827 55.755 405 HG21 THR 52 HG21 THR 52 -0.392 51.091 56.385 406 HG22 THR 52 HG22 THR 52 0.697 52.439 56.710 407 HG23 THR 52 HG23 THR 52 -0.091 51.601 58.047 408 H ALA 53 H ALA 53 4.668 51.069 56.014 409 HA ALA 53 HA ALA 53 5.630 48.473 56.663 410 HB1 ALA 53 HB1 ALA 53 5.914 50.142 54.526 411 HB2 ALA 53 HB2 ALA 53 7.508 50.237 55.277 412 HB3 ALA 53 HB3 ALA 53 6.851 48.672 54.796 413 H ARG 54 H ARG 54 6.190 51.586 57.975 414 HA ARG 54 HA ARG 54 8.819 51.178 58.971 415 HE ARG 54 HE ARG 54 10.975 54.854 60.745 416 HB2 ARG 54 HB2 ARG 54 7.456 53.380 58.696 417 HB3 ARG 54 HB3 ARG 54 6.825 52.989 60.291 418 HG2 ARG 54 HG2 ARG 54 8.592 54.351 60.817 419 HG3 ARG 54 HG3 ARG 54 9.342 52.757 60.922 420 HD2 ARG 54 HD2 ARG 54 10.284 53.006 58.718 421 HD3 ARG 54 HD3 ARG 54 9.425 54.528 58.484 422 HH11 ARG 54 HH11 ARG 54 11.491 54.165 57.371 423 HH12 ARG 54 HH12 ARG 54 13.047 54.925 57.319 424 HH21 ARG 54 HH21 ARG 54 13.023 55.858 60.689 425 HH22 ARG 54 HH22 ARG 54 13.918 55.888 59.208 426 H LEU 55 H LEU 55 5.763 51.378 60.802 427 HA LEU 55 HA LEU 55 6.899 50.035 63.059 428 HG LEU 55 HG LEU 55 2.768 51.113 62.997 429 HB2 LEU 55 HB2 LEU 55 4.810 50.330 64.108 430 HB3 LEU 55 HB3 LEU 55 5.086 51.773 63.135 431 HD11 LEU 55 HD11 LEU 55 2.521 51.013 60.607 432 HD12 LEU 55 HD12 LEU 55 4.173 50.425 60.421 433 HD13 LEU 55 HD13 LEU 55 3.880 52.065 61.002 434 HD21 LEU 55 HD21 LEU 55 2.023 49.012 62.719 435 HD22 LEU 55 HD22 LEU 55 3.643 48.558 63.249 436 HD23 LEU 55 HD23 LEU 55 3.262 48.619 61.528 437 H GLN 56 H GLN 56 5.390 49.021 60.170 438 HA GLN 56 HA GLN 56 4.092 46.685 60.906 439 HB2 GLN 56 HB2 GLN 56 3.772 47.217 58.687 440 HB3 GLN 56 HB3 GLN 56 5.465 47.610 58.425 441 HG2 GLN 56 HG2 GLN 56 5.992 45.192 58.564 442 HG3 GLN 56 HG3 GLN 56 4.263 44.864 58.666 443 HE21 GLN 56 HE21 GLN 56 6.904 45.609 56.626 444 HE22 GLN 56 HE22 GLN 56 6.044 45.606 55.128 445 H GLN 57 H GLN 57 7.501 47.359 60.639 446 HA GLN 57 HA GLN 57 8.403 44.668 60.603 447 HB2 GLN 57 HB2 GLN 57 9.597 47.332 60.842 448 HB3 GLN 57 HB3 GLN 57 10.460 46.093 61.744 449 HG2 GLN 57 HG2 GLN 57 10.414 44.730 59.596 450 HG3 GLN 57 HG3 GLN 57 9.925 46.223 58.797 451 HE21 GLN 57 HE21 GLN 57 12.469 44.359 59.215 452 HE22 GLN 57 HE22 GLN 57 13.742 45.527 59.262 453 H SER 58 H SER 58 7.902 47.030 63.194 454 HA SER 58 HA SER 58 8.889 45.386 65.279 455 HG SER 58 HG SER 58 7.776 47.345 67.681 456 HB2 SER 58 HB2 SER 58 8.339 47.982 65.177 457 HB3 SER 58 HB3 SER 58 6.796 47.442 65.837 458 H THR 59 H THR 59 5.524 46.331 64.559 459 HA THR 59 HA THR 59 4.215 44.654 66.289 460 HB THR 59 HB THR 59 3.318 45.364 63.489 461 HG1 THR 59 HG1 THR 59 3.849 47.078 65.156 462 HG21 THR 59 HG21 THR 59 1.027 45.148 64.669 463 HG22 THR 59 HG22 THR 59 1.903 44.182 65.855 464 HG23 THR 59 HG23 THR 59 1.858 43.676 64.165 465 H ASP 60 H ASP 60 5.972 43.803 63.457 466 HA ASP 60 HA ASP 60 4.766 41.418 62.693 467 HB2 ASP 60 HB2 ASP 60 7.087 42.804 62.018 468 HB3 ASP 60 HB3 ASP 60 7.667 41.246 62.602 469 H ALA 61 H ALA 61 6.761 42.141 65.449 470 HA ALA 61 HA ALA 61 7.226 39.364 66.110 471 HB1 ALA 61 HB1 ALA 61 8.457 41.772 66.772 472 HB2 ALA 61 HB2 ALA 61 7.734 41.201 68.276 473 HB3 ALA 61 HB3 ALA 61 8.857 40.169 67.389 474 H LEU 62 H LEU 62 5.374 42.063 67.514 475 HA LEU 62 HA LEU 62 4.204 40.604 69.605 476 HG LEU 62 HG LEU 62 2.512 41.742 70.835 477 HB2 LEU 62 HB2 LEU 62 4.275 43.107 69.325 478 HB3 LEU 62 HB3 LEU 62 2.954 42.937 68.170 479 HD11 LEU 62 HD11 LEU 62 2.371 44.725 70.487 480 HD12 LEU 62 HD12 LEU 62 3.714 43.904 71.282 481 HD13 LEU 62 HD13 LEU 62 2.088 43.787 71.953 482 HD21 LEU 62 HD21 LEU 62 0.305 42.954 70.424 483 HD22 LEU 62 HD22 LEU 62 0.708 41.620 69.344 484 HD23 LEU 62 HD23 LEU 62 0.925 43.286 68.807 485 H TYR 63 H TYR 63 3.540 40.670 66.232 486 HA TYR 63 HA TYR 63 0.833 39.743 66.401 487 HD1 TYR 63 HD1 TYR 63 0.301 37.721 64.033 488 HD2 TYR 63 HD2 TYR 63 3.920 39.609 62.833 489 HE1 TYR 63 HE1 TYR 63 0.742 35.872 62.473 490 HE2 TYR 63 HE2 TYR 63 4.370 37.764 61.269 491 HH TYR 63 HH TYR 63 3.100 36.031 60.053 492 HB2 TYR 63 HB2 TYR 63 0.844 40.352 64.252 493 HB3 TYR 63 HB3 TYR 63 2.571 40.679 64.361 494 H SER 64 H SER 64 3.852 38.187 65.307 495 HA SER 64 HA SER 64 2.738 35.585 65.212 496 HG SER 64 HG SER 64 4.046 34.169 64.402 497 HB2 SER 64 HB2 SER 64 5.100 36.749 64.369 498 HB3 SER 64 HB3 SER 64 5.628 35.669 65.659 499 H HIS 65 H HIS 65 4.622 37.318 67.651 500 HA HIS 65 HA HIS 65 5.148 35.284 69.436 501 HD1 HIS 65 HD1 HIS 65 4.376 38.709 72.478 502 HD2 HIS 65 HD2 HIS 65 6.350 35.128 71.745 503 HE1 HIS 65 HE1 HIS 65 4.989 37.803 74.743 504 HB2 HIS 65 HB2 HIS 65 6.013 37.557 69.712 505 HB3 HIS 65 HB3 HIS 65 4.392 38.144 70.072 506 H LEU 66 H LEU 66 2.194 37.208 69.112 507 HA LEU 66 HA LEU 66 0.873 35.930 71.307 508 HG LEU 66 HG LEU 66 -1.717 36.313 71.116 509 HB2 LEU 66 HB2 LEU 66 0.403 38.244 70.412 510 HB3 LEU 66 HB3 LEU 66 -0.411 37.463 69.059 511 HD11 LEU 66 HD11 LEU 66 -1.806 37.518 73.010 512 HD12 LEU 66 HD12 LEU 66 -1.671 39.059 72.164 513 HD13 LEU 66 HD13 LEU 66 -0.226 38.101 72.486 514 HD21 LEU 66 HD21 LEU 66 -2.204 38.355 69.181 515 HD22 LEU 66 HD22 LEU 66 -3.028 38.771 70.684 516 HD23 LEU 66 HD23 LEU 66 -3.341 37.219 69.908 517 H GLU 67 H GLU 67 0.353 35.831 67.777 518 HA GLU 67 HA GLU 67 -1.586 33.866 67.703 519 HB2 GLU 67 HB2 GLU 67 -0.699 35.257 65.775 520 HB3 GLU 67 HB3 GLU 67 0.629 34.109 65.669 521 HG2 GLU 67 HG2 GLU 67 -1.949 32.791 65.706 522 HG3 GLU 67 HG3 GLU 67 -1.805 33.943 64.379 523 H ALA 68 H ALA 68 1.902 33.531 67.992 524 HA ALA 68 HA ALA 68 1.794 30.644 67.799 525 HB1 ALA 68 HB1 ALA 68 3.748 32.490 67.282 526 HB2 ALA 68 HB2 ALA 68 4.268 31.807 68.823 527 HB3 ALA 68 HB3 ALA 68 3.999 30.751 67.437 528 H GLN 69 H GLN 69 2.943 32.912 70.309 529 HA GLN 69 HA GLN 69 3.135 31.029 72.360 530 HB2 GLN 69 HB2 GLN 69 4.056 33.398 72.314 531 HB3 GLN 69 HB3 GLN 69 2.446 33.935 72.774 532 HG2 GLN 69 HG2 GLN 69 3.782 33.806 74.740 533 HG3 GLN 69 HG3 GLN 69 2.604 32.495 74.788 534 HE21 GLN 69 HE21 GLN 69 3.394 30.647 75.462 535 HE22 GLN 69 HE22 GLN 69 5.018 30.093 75.262 536 H TRP 70 H TRP 70 0.507 33.346 71.705 537 HA TRP 70 HA TRP 70 -1.208 32.463 73.738 538 HD1 TRP 70 HD1 TRP 70 -4.714 32.841 72.330 539 HE1 TRP 70 HE1 TRP 70 -6.075 33.989 74.188 540 HE3 TRP 70 HE3 TRP 70 -1.073 35.875 74.247 541 HZ2 TRP 70 HZ2 TRP 70 -5.661 35.926 76.199 542 HZ3 TRP 70 HZ3 TRP 70 -1.638 37.346 76.137 543 HH2 TRP 70 HH2 TRP 70 -3.885 37.370 77.092 544 HB2 TRP 70 HB2 TRP 70 -1.294 34.548 72.093 545 HB3 TRP 70 HB3 TRP 70 -2.366 33.485 71.185 546 H ALA 71 H ALA 71 -0.465 31.127 70.642 547 HA ALA 71 HA ALA 71 -2.689 29.689 69.950 548 HB1 ALA 71 HB1 ALA 71 -1.344 28.572 68.525 549 HB2 ALA 71 HB2 ALA 71 -0.163 29.782 69.030 550 HB3 ALA 71 HB3 ALA 71 -0.162 28.183 69.773 551 H LYS 72 H LYS 72 -0.238 28.812 72.355 552 HA LYS 72 HA LYS 72 -0.913 26.270 73.019 553 HB2 LYS 72 HB2 LYS 72 -0.184 28.567 74.834 554 HB3 LYS 72 HB3 LYS 72 -0.336 26.912 75.413 555 HG2 LYS 72 HG2 LYS 72 1.467 27.563 73.117 556 HG3 LYS 72 HG3 LYS 72 1.993 27.810 74.783 557 HD2 LYS 72 HD2 LYS 72 2.710 25.668 74.512 558 HD3 LYS 72 HD3 LYS 72 1.054 25.329 75.024 559 HE2 LYS 72 HE2 LYS 72 0.419 24.625 72.963 560 HE3 LYS 72 HE3 LYS 72 1.487 25.752 72.130 561 HZ1 LYS 72 HZ1 LYS 72 2.044 23.060 73.131 562 HZ2 LYS 72 HZ2 LYS 72 3.306 24.187 73.161 563 HZ3 LYS 72 HZ3 LYS 72 2.547 23.805 71.698 564 H GLN 73 H GLN 73 -2.789 29.142 73.607 565 HA GLN 73 HA GLN 73 -4.519 28.275 75.596 566 HB2 GLN 73 HB2 GLN 73 -4.869 30.167 73.288 567 HB3 GLN 73 HB3 GLN 73 -6.197 29.828 74.390 568 HG2 GLN 73 HG2 GLN 73 -3.506 30.841 75.273 569 HG3 GLN 73 HG3 GLN 73 -4.885 31.881 74.916 570 HE21 GLN 73 HE21 GLN 73 -3.730 29.300 77.000 571 HE22 GLN 73 HE22 GLN 73 -4.786 29.643 78.323 572 H HIS 74 H HIS 74 -5.168 28.202 72.086 573 HA HIS 74 HA HIS 74 -6.664 25.710 72.488 574 HD1 HIS 74 HD1 HIS 74 -9.034 24.694 71.714 575 HD2 HIS 74 HD2 HIS 74 -9.701 28.374 73.522 576 HE1 HIS 74 HE1 HIS 74 -10.972 24.335 73.275 577 HB2 HIS 74 HB2 HIS 74 -7.748 28.283 71.671 578 HB3 HIS 74 HB3 HIS 74 -8.053 27.032 70.467 579 H GLY 75 H GLY 75 -5.285 27.964 70.109 580 HA2 GLY 75 HA2 GLY 75 -3.586 27.156 68.579 581 HA3 GLY 75 HA3 GLY 75 -4.425 25.612 68.549 582 H THR 76 H THR 76 -7.047 27.072 68.377 583 HA THR 76 HA THR 76 -7.024 27.360 65.477 584 HB THR 76 HB THR 76 -8.856 26.243 67.237 585 HG1 THR 76 HG1 THR 76 -8.427 26.034 64.828 586 HG21 THR 76 HG21 THR 76 -9.647 28.545 67.758 587 HG22 THR 76 HG22 THR 76 -10.886 27.525 67.029 588 HG23 THR 76 HG23 THR 76 -10.064 28.745 66.056 589 HA PRO 77 HA PRO 77 -8.670 31.615 67.227 590 HB2 PRO 77 HB2 PRO 77 -7.393 32.386 69.497 591 HB3 PRO 77 HB3 PRO 77 -8.914 31.485 69.508 592 HG2 PRO 77 HG2 PRO 77 -6.118 30.485 69.883 593 HG3 PRO 77 HG3 PRO 77 -7.588 30.058 70.778 594 HD2 PRO 77 HD2 PRO 77 -6.562 28.486 68.827 595 HD3 PRO 77 HD3 PRO 77 -8.304 28.592 69.150 596 HA PRO 78 HA PRO 78 -3.947 32.889 67.105 597 HB2 PRO 78 HB2 PRO 78 -2.336 30.887 66.228 598 HB3 PRO 78 HB3 PRO 78 -2.653 31.186 67.941 599 HG2 PRO 78 HG2 PRO 78 -3.890 29.168 66.109 600 HG3 PRO 78 HG3 PRO 78 -3.337 28.968 67.781 601 HD2 PRO 78 HD2 PRO 78 -5.946 29.310 67.141 602 HD3 PRO 78 HD3 PRO 78 -5.249 29.911 68.659 603 H THR 79 H THR 79 -5.006 33.969 65.342 604 HA THR 79 HA THR 79 -3.884 33.258 62.783 605 HB THR 79 HB THR 79 -5.908 31.903 62.716 606 HG1 THR 79 HG1 THR 79 -5.877 32.514 60.695 607 HG21 THR 79 HG21 THR 79 -7.095 34.319 63.860 608 HG22 THR 79 HG22 THR 79 -7.637 32.643 63.946 609 HG23 THR 79 HG23 THR 79 -8.034 33.628 62.537 610 H ALA 80 H ALA 80 -3.815 34.981 61.342 611 HA ALA 80 HA ALA 80 -3.490 37.508 62.206 612 HB1 ALA 80 HB1 ALA 80 -3.381 36.386 59.784 613 HB2 ALA 80 HB2 ALA 80 -4.858 37.330 59.590 614 HB3 ALA 80 HB3 ALA 80 -3.351 38.132 60.033 615 H SER 81 H SER 81 -6.575 36.255 60.934 616 HA SER 81 HA SER 81 -8.141 38.492 61.167 617 HG SER 81 HG SER 81 -9.100 37.515 59.540 618 HB2 SER 81 HB2 SER 81 -8.771 35.573 61.539 619 HB3 SER 81 HB3 SER 81 -10.026 36.799 61.717 620 H ASP 82 H ASP 82 -7.129 36.282 63.709 621 HA ASP 82 HA ASP 82 -8.702 37.695 65.707 622 HB2 ASP 82 HB2 ASP 82 -6.861 35.305 65.879 623 HB3 ASP 82 HB3 ASP 82 -7.671 36.013 67.274 624 H VAL 83 H VAL 83 -5.260 36.820 65.335 625 HA VAL 83 HA VAL 83 -4.196 38.361 67.346 626 HB VAL 83 HB VAL 83 -2.912 37.968 64.640 627 HG11 VAL 83 HG11 VAL 83 -2.050 39.293 66.991 628 HG12 VAL 83 HG12 VAL 83 -1.099 37.816 66.825 629 HG13 VAL 83 HG13 VAL 83 -1.144 38.989 65.509 630 HG21 VAL 83 HG21 VAL 83 -3.844 35.968 66.259 631 HG22 VAL 83 HG22 VAL 83 -2.524 35.810 65.099 632 HG23 VAL 83 HG23 VAL 83 -2.172 36.137 66.796 633 H VAL 84 H VAL 84 -5.564 39.406 64.356 634 HA VAL 84 HA VAL 84 -4.309 41.877 64.006 635 HB VAL 84 HB VAL 84 -5.836 40.833 62.351 636 HG11 VAL 84 HG11 VAL 84 -8.091 40.621 62.633 637 HG12 VAL 84 HG12 VAL 84 -7.571 40.430 64.308 638 HG13 VAL 84 HG13 VAL 84 -8.193 41.982 63.749 639 HG21 VAL 84 HG21 VAL 84 -5.850 42.857 61.440 640 HG22 VAL 84 HG22 VAL 84 -7.224 43.308 62.450 641 HG23 VAL 84 HG23 VAL 84 -5.580 43.579 63.026 642 H GLY 85 H GLY 85 -6.783 40.867 66.245 643 HA2 GLY 85 HA2 GLY 85 -6.660 43.531 67.484 644 HA3 GLY 85 HA3 GLY 85 -8.232 42.833 67.120 645 H MET 86 H MET 86 -6.310 40.286 67.850 646 HA MET 86 HA MET 86 -7.573 39.784 70.325 647 HB2 MET 86 HB2 MET 86 -6.369 38.204 68.541 648 HB3 MET 86 HB3 MET 86 -5.031 38.385 69.668 649 HG2 MET 86 HG2 MET 86 -7.501 37.794 71.043 650 HG3 MET 86 HG3 MET 86 -7.122 36.574 69.829 651 HE1 MET 86 HE1 MET 86 -3.934 34.939 70.949 652 HE2 MET 86 HE2 MET 86 -5.593 34.440 70.614 653 HE3 MET 86 HE3 MET 86 -4.786 35.592 69.549 654 HA PRO 87 HA PRO 87 -3.235 40.871 72.214 655 HB2 PRO 87 HB2 PRO 87 -1.596 42.370 70.654 656 HB3 PRO 87 HB3 PRO 87 -1.573 40.603 70.650 657 HG2 PRO 87 HG2 PRO 87 -2.893 42.484 68.732 658 HG3 PRO 87 HG3 PRO 87 -1.972 41.007 68.395 659 HD2 PRO 87 HD2 PRO 87 -4.678 41.068 68.383 660 HD3 PRO 87 HD3 PRO 87 -3.758 39.632 68.872 661 H GLN 88 H GLN 88 -2.120 43.060 72.800 662 HA GLN 88 HA GLN 88 -4.250 44.979 73.164 663 HB2 GLN 88 HB2 GLN 88 -2.590 46.170 74.581 664 HB3 GLN 88 HB3 GLN 88 -2.846 44.498 75.062 665 HG2 GLN 88 HG2 GLN 88 -0.787 43.853 73.911 666 HG3 GLN 88 HG3 GLN 88 -0.528 45.535 73.447 667 HE21 GLN 88 HE21 GLN 88 1.524 44.736 74.654 668 HE22 GLN 88 HE22 GLN 88 1.584 45.146 76.332 669 H TRP 89 H TRP 89 -1.257 44.722 71.359 670 HA TRP 89 HA TRP 89 -0.672 47.268 70.638 671 HD1 TRP 89 HD1 TRP 89 -1.018 43.057 68.387 672 HE1 TRP 89 HE1 TRP 89 -2.120 42.964 66.064 673 HE3 TRP 89 HE3 TRP 89 -0.864 48.031 67.215 674 HZ2 TRP 89 HZ2 TRP 89 -2.830 44.761 64.005 675 HZ3 TRP 89 HZ3 TRP 89 -1.774 48.761 65.049 676 HH2 TRP 89 HH2 TRP 89 -2.735 47.158 63.478 677 HB2 TRP 89 HB2 TRP 89 0.551 46.373 68.935 678 HB3 TRP 89 HB3 TRP 89 0.172 44.870 69.773 679 H GLN 90 H GLN 90 -3.370 45.338 69.470 680 HA GLN 90 HA GLN 90 -4.202 46.989 67.370 681 HB2 GLN 90 HB2 GLN 90 -5.126 44.793 67.564 682 HB3 GLN 90 HB3 GLN 90 -5.745 45.129 69.174 683 HG2 GLN 90 HG2 GLN 90 -6.795 47.013 67.273 684 HG3 GLN 90 HG3 GLN 90 -7.099 45.358 66.751 685 HE21 GLN 90 HE21 GLN 90 -8.263 47.863 68.547 686 HE22 GLN 90 HE22 GLN 90 -9.348 46.998 69.575 687 H GLU 91 H GLU 91 -5.190 46.959 70.786 688 HA GLU 91 HA GLU 91 -6.857 49.284 70.458 689 HB2 GLU 91 HB2 GLU 91 -7.004 47.281 72.188 690 HB3 GLU 91 HB3 GLU 91 -5.976 48.338 73.147 691 HG2 GLU 91 HG2 GLU 91 -7.708 49.567 73.754 692 HG3 GLU 91 HG3 GLU 91 -8.168 49.835 72.073 693 H TYR 92 H TYR 92 -3.898 48.614 72.336 694 HA TYR 92 HA TYR 92 -3.326 51.071 73.329 695 HD1 TYR 92 HD1 TYR 92 -3.637 48.469 74.306 696 HD2 TYR 92 HD2 TYR 92 0.253 50.129 74.770 697 HE1 TYR 92 HE1 TYR 92 -3.642 47.802 76.672 698 HE2 TYR 92 HE2 TYR 92 0.259 49.466 77.138 699 HH TYR 92 HH TYR 92 -1.243 48.894 78.893 700 HB2 TYR 92 HB2 TYR 92 -1.595 48.859 72.319 701 HB3 TYR 92 HB3 TYR 92 -0.833 50.388 72.746 702 H THR 93 H THR 93 -2.136 49.931 70.163 703 HA THR 93 HA THR 93 -0.941 52.217 69.255 704 HB THR 93 HB THR 93 -0.985 50.042 68.036 705 HG1 THR 93 HG1 THR 93 -1.865 51.993 66.213 706 HG21 THR 93 HG21 THR 93 -3.555 50.919 66.774 707 HG22 THR 93 HG22 THR 93 -3.573 49.942 68.240 708 HG23 THR 93 HG23 THR 93 -2.803 49.325 66.779 709 H ALA 94 H ALA 94 -4.381 51.462 69.290 710 HA ALA 94 HA ALA 94 -5.159 53.778 67.799 711 HB1 ALA 94 HB1 ALA 94 -7.359 52.914 69.297 712 HB2 ALA 94 HB2 ALA 94 -6.987 52.532 67.617 713 HB3 ALA 94 HB3 ALA 94 -6.444 51.458 68.906 714 H MET 95 H MET 95 -4.789 52.991 71.201 715 HA MET 95 HA MET 95 -6.144 55.203 72.282 716 HB2 MET 95 HB2 MET 95 -5.259 53.085 73.458 717 HB3 MET 95 HB3 MET 95 -3.732 53.948 73.566 718 HG2 MET 95 HG2 MET 95 -4.715 55.669 74.894 719 HG3 MET 95 HG3 MET 95 -6.330 55.014 74.634 720 HE1 MET 95 HE1 MET 95 -6.727 52.589 74.925 721 HE2 MET 95 HE2 MET 95 -5.554 51.481 75.637 722 HE3 MET 95 HE3 MET 95 -6.842 52.162 76.633 723 H LEU 96 H LEU 96 -3.078 54.922 70.741 724 HA LEU 96 HA LEU 96 -1.818 57.194 71.880 725 HG LEU 96 HG LEU 96 -1.334 54.181 70.616 726 HB2 LEU 96 HB2 LEU 96 -1.283 56.166 69.115 727 HB3 LEU 96 HB3 LEU 96 -0.165 56.936 70.238 728 HD11 LEU 96 HD11 LEU 96 0.184 54.452 68.620 729 HD12 LEU 96 HD12 LEU 96 0.700 53.276 69.828 730 HD13 LEU 96 HD13 LEU 96 1.466 54.863 69.759 731 HD21 LEU 96 HD21 LEU 96 0.304 55.969 72.251 732 HD22 LEU 96 HD22 LEU 96 0.974 54.348 72.063 733 HD23 LEU 96 HD23 LEU 96 -0.652 54.560 72.714 734 H ARG 97 H ARG 97 -3.481 56.720 68.764 735 HA ARG 97 HA ARG 97 -3.436 59.550 68.202 736 HE ARG 97 HE ARG 97 -5.142 56.347 64.155 737 HB2 ARG 97 HB2 ARG 97 -4.760 58.896 66.189 738 HB3 ARG 97 HB3 ARG 97 -3.223 58.055 66.335 739 HG2 ARG 97 HG2 ARG 97 -5.122 56.457 67.650 740 HG3 ARG 97 HG3 ARG 97 -5.864 56.980 66.136 741 HD2 ARG 97 HD2 ARG 97 -3.064 56.127 65.907 742 HD3 ARG 97 HD3 ARG 97 -4.184 54.855 66.395 743 HH11 ARG 97 HH11 ARG 97 -3.000 53.776 65.118 744 HH12 ARG 97 HH12 ARG 97 -3.052 52.982 63.579 745 HH21 ARG 97 HH21 ARG 97 -5.218 55.310 62.126 746 HH22 ARG 97 HH22 ARG 97 -4.313 53.855 61.878 747 H GLU 98 H GLU 98 -5.551 57.320 69.742 748 HA GLU 98 HA GLU 98 -7.923 58.942 69.421 749 HB2 GLU 98 HB2 GLU 98 -8.240 56.565 69.540 750 HB3 GLU 98 HB3 GLU 98 -7.343 56.467 71.049 751 HG2 GLU 98 HG2 GLU 98 -9.071 57.380 72.289 752 HG3 GLU 98 HG3 GLU 98 -9.833 58.107 70.877 753 H ARG 99 H ARG 99 -5.912 57.937 72.191 754 HA ARG 99 HA ARG 99 -7.102 60.000 73.849 755 HE ARG 99 HE ARG 99 -7.066 59.715 78.808 756 HB2 ARG 99 HB2 ARG 99 -6.600 57.726 74.740 757 HB3 ARG 99 HB3 ARG 99 -4.888 58.056 74.517 758 HG2 ARG 99 HG2 ARG 99 -4.886 58.827 76.597 759 HG3 ARG 99 HG3 ARG 99 -5.793 60.214 75.990 760 HD2 ARG 99 HD2 ARG 99 -7.815 58.506 76.303 761 HD3 ARG 99 HD3 ARG 99 -6.720 57.847 77.516 762 HH11 ARG 99 HH11 ARG 99 -8.340 60.249 75.614 763 HH12 ARG 99 HH12 ARG 99 -9.149 61.721 76.040 764 HH21 ARG 99 HH21 ARG 99 -8.126 61.650 79.383 765 HH22 ARG 99 HH22 ARG 99 -9.025 62.518 78.185 766 H PHE 100 H PHE 100 -3.872 59.161 72.619 767 HA PHE 100 HA PHE 100 -1.937 60.368 72.497 768 HD1 PHE 100 HD1 PHE 100 -5.622 61.468 70.884 769 HD2 PHE 100 HD2 PHE 100 -3.129 64.390 72.716 770 HE1 PHE 100 HE1 PHE 100 -7.579 62.919 71.224 771 HE2 PHE 100 HE2 PHE 100 -5.082 65.846 73.060 772 HZ PHE 100 HZ PHE 100 -7.311 65.110 72.314 773 HB2 PHE 100 HB2 PHE 100 -2.185 62.576 71.438 774 HB3 PHE 100 HB3 PHE 100 -3.212 61.373 70.666 775 H ALA 101 H ALA 101 -3.152 60.244 75.126 776 HA ALA 101 HA ALA 101 -2.133 62.772 76.252 777 HB1 ALA 101 HB1 ALA 101 -4.679 62.032 76.466 778 HB2 ALA 101 HB2 ALA 101 -4.028 61.137 77.840 779 HB3 ALA 101 HB3 ALA 101 -3.833 62.888 77.755 780 H GLY 102 H GLY 102 -0.114 62.306 76.909 781 HA2 GLY 102 HA2 GLY 102 0.928 61.394 79.010 782 HA3 GLY 102 HA3 GLY 102 0.265 59.847 78.504 783 H LEU 103 H LEU 103 0.846 59.857 75.808 784 HA LEU 103 HA LEU 103 3.515 58.993 75.786 785 HG LEU 103 HG LEU 103 0.648 60.312 73.978 786 HB2 LEU 103 HB2 LEU 103 3.235 59.015 73.289 787 HB3 LEU 103 HB3 LEU 103 2.047 58.075 74.189 788 HD11 LEU 103 HD11 LEU 103 2.078 61.759 72.879 789 HD12 LEU 103 HD12 LEU 103 1.099 61.119 71.559 790 HD13 LEU 103 HD13 LEU 103 2.725 60.493 71.835 791 HD21 LEU 103 HD21 LEU 103 -0.407 58.489 73.112 792 HD22 LEU 103 HD22 LEU 103 0.990 57.994 72.156 793 HD23 LEU 103 HD23 LEU 103 -0.024 59.329 71.609 794 H ASP 104 H ASP 104 2.305 62.107 75.811 795 HA ASP 104 HA ASP 104 4.380 63.310 74.193 796 HB2 ASP 104 HB2 ASP 104 1.918 64.204 75.520 797 HB3 ASP 104 HB3 ASP 104 3.231 65.375 75.587 798 H THR 105 H THR 105 3.400 63.781 77.591 799 HA THR 105 HA THR 105 5.917 64.894 78.325 800 HB THR 105 HB THR 105 3.867 65.480 79.536 801 HG1 THR 105 HG1 THR 105 6.143 65.177 80.559 802 HG21 THR 105 HG21 THR 105 2.619 63.992 80.817 803 HG22 THR 105 HG22 THR 105 3.916 62.800 80.879 804 HG23 THR 105 HG23 THR 105 3.007 63.038 79.386 805 H ILE 106 H ILE 106 4.418 61.713 78.744 806 HA ILE 106 HA ILE 106 5.291 59.669 79.233 807 HB ILE 106 HB ILE 106 7.942 60.959 78.574 808 HG12 ILE 106 HG12 ILE 106 6.280 61.065 76.735 809 HG13 ILE 106 HG13 ILE 106 7.649 60.028 76.348 810 HG21 ILE 106 HG21 ILE 106 7.174 58.264 79.409 811 HG22 ILE 106 HG22 ILE 106 8.151 58.313 77.941 812 HG23 ILE 106 HG23 ILE 106 8.752 59.052 79.425 813 HD11 ILE 106 HD11 ILE 106 6.319 58.061 76.833 814 HD12 ILE 106 HD12 ILE 106 4.953 59.079 77.289 815 HD13 ILE 106 HD13 ILE 106 5.527 59.067 75.621 Start of MODEL 14 1 H LYS 1 H LYS 1 17.674 83.440 65.652 2 HA LYS 1 HA LYS 1 17.498 85.938 67.008 3 HB2 LYS 1 HB2 LYS 1 15.824 83.647 66.573 4 HB3 LYS 1 HB3 LYS 1 15.815 84.054 68.284 5 HG2 LYS 1 HG2 LYS 1 15.481 86.298 66.395 6 HG3 LYS 1 HG3 LYS 1 14.149 85.146 66.508 7 HD2 LYS 1 HD2 LYS 1 14.667 85.519 69.123 8 HD3 LYS 1 HD3 LYS 1 15.156 87.092 68.489 9 HE2 LYS 1 HE2 LYS 1 12.662 86.240 67.319 10 HE3 LYS 1 HE3 LYS 1 12.564 86.226 69.079 11 HZ1 LYS 1 HZ1 LYS 1 11.950 88.374 68.441 12 HZ2 LYS 1 HZ2 LYS 1 13.194 88.504 67.301 13 HZ3 LYS 1 HZ3 LYS 1 13.554 88.538 68.953 14 H GLN 2 H GLN 2 17.880 82.618 68.267 15 HA GLN 2 HA GLN 2 18.663 83.590 70.857 16 HB2 GLN 2 HB2 GLN 2 18.059 80.989 69.630 17 HB3 GLN 2 HB3 GLN 2 19.310 80.933 70.865 18 HG2 GLN 2 HG2 GLN 2 17.398 82.471 72.060 19 HG3 GLN 2 HG3 GLN 2 16.432 81.335 71.119 20 HE21 GLN 2 HE21 GLN 2 18.329 81.803 73.895 21 HE22 GLN 2 HE22 GLN 2 18.287 80.182 74.489 22 H GLN 3 H GLN 3 20.664 83.870 71.649 23 HA GLN 3 HA GLN 3 22.871 84.187 70.012 24 HB2 GLN 3 HB2 GLN 3 22.348 84.175 72.878 25 HB3 GLN 3 HB3 GLN 3 23.961 83.588 72.492 26 HG2 GLN 3 HG2 GLN 3 23.352 85.953 70.973 27 HG3 GLN 3 HG3 GLN 3 23.119 86.236 72.697 28 HE21 GLN 3 HE21 GLN 3 24.914 87.696 72.511 29 HE22 GLN 3 HE22 GLN 3 26.530 87.085 72.552 30 H LEU 4 H LEU 4 21.948 81.387 71.976 31 HA LEU 4 HA LEU 4 24.120 79.849 70.727 32 HG LEU 4 HG LEU 4 25.526 79.596 72.531 33 HB2 LEU 4 HB2 LEU 4 23.079 79.967 73.379 34 HB3 LEU 4 HB3 LEU 4 22.821 78.344 72.744 35 HD11 LEU 4 HD11 LEU 4 24.459 78.212 74.988 36 HD12 LEU 4 HD12 LEU 4 24.844 79.928 74.860 37 HD13 LEU 4 HD13 LEU 4 26.125 78.724 74.716 38 HD21 LEU 4 HD21 LEU 4 26.013 77.580 71.744 39 HD22 LEU 4 HD22 LEU 4 24.341 77.072 71.978 40 HD23 LEU 4 HD23 LEU 4 25.515 76.860 73.276 41 H GLN 5 H GLN 5 23.656 77.638 70.070 42 HA GLN 5 HA GLN 5 21.276 77.492 68.503 43 HB2 GLN 5 HB2 GLN 5 23.619 75.697 68.985 44 HB3 GLN 5 HB3 GLN 5 22.185 75.039 68.209 45 HG2 GLN 5 HG2 GLN 5 22.871 75.844 66.274 46 HG3 GLN 5 HG3 GLN 5 22.785 77.479 66.926 47 HE21 GLN 5 HE21 GLN 5 24.601 77.040 65.035 48 HE22 GLN 5 HE22 GLN 5 26.197 76.990 65.693 49 H GLU 6 H GLU 6 19.894 75.467 68.546 50 HA GLU 6 HA GLU 6 18.673 75.271 71.120 51 HB2 GLU 6 HB2 GLU 6 18.069 74.424 68.387 52 HB3 GLU 6 HB3 GLU 6 17.554 73.259 69.598 53 HG2 GLU 6 HG2 GLU 6 16.519 75.331 70.771 54 HG3 GLU 6 HG3 GLU 6 16.655 76.072 69.176 55 H HIS 7 H HIS 7 18.340 73.341 72.346 56 HA HIS 7 HA HIS 7 20.709 71.680 72.440 57 HD1 HIS 7 HD1 HIS 7 18.098 73.232 76.064 58 HD2 HIS 7 HD2 HIS 7 21.663 73.537 73.955 59 HE1 HIS 7 HE1 HIS 7 19.215 75.312 76.930 60 HB2 HIS 7 HB2 HIS 7 18.260 71.560 74.207 61 HB3 HIS 7 HB3 HIS 7 19.841 70.860 74.540 62 H ALA 8 H ALA 8 20.302 69.271 72.963 63 HA ALA 8 HA ALA 8 18.354 68.224 71.014 64 HB1 ALA 8 HB1 ALA 8 20.832 66.732 71.778 65 HB2 ALA 8 HB2 ALA 8 19.851 66.599 70.317 66 HB3 ALA 8 HB3 ALA 8 20.892 68.003 70.557 67 HA PRO 9 HA PRO 9 16.469 66.013 74.323 68 HB2 PRO 9 HB2 PRO 9 15.265 64.045 72.889 69 HB3 PRO 9 HB3 PRO 9 14.685 65.715 72.905 70 HG2 PRO 9 HG2 PRO 9 16.370 64.315 70.865 71 HG3 PRO 9 HG3 PRO 9 15.004 65.418 70.621 72 HD2 PRO 9 HD2 PRO 9 17.580 66.215 70.383 73 HD3 PRO 9 HD3 PRO 9 16.297 67.296 70.962 74 H SER 10 H SER 10 17.710 64.881 75.686 75 HA SER 10 HA SER 10 19.820 63.269 75.263 76 HG SER 10 HG SER 10 20.409 63.861 77.223 77 HB2 SER 10 HB2 SER 10 17.678 63.172 77.357 78 HB3 SER 10 HB3 SER 10 18.933 61.935 77.343 79 H HIS 11 H HIS 11 16.460 62.097 75.386 80 HA HIS 11 HA HIS 11 17.068 59.419 74.747 81 HD1 HIS 11 HD1 HIS 11 14.558 62.785 75.387 82 HD2 HIS 11 HD2 HIS 11 13.174 60.283 72.373 83 HE1 HIS 11 HE1 HIS 11 12.972 64.184 74.029 84 HB2 HIS 11 HB2 HIS 11 14.690 59.150 74.345 85 HB3 HIS 11 HB3 HIS 11 14.931 60.156 75.770 86 H ALA 12 H ALA 12 17.526 58.449 72.878 87 HA ALA 12 HA ALA 12 17.654 60.060 70.463 88 HB1 ALA 12 HB1 ALA 12 19.407 58.326 71.391 89 HB2 ALA 12 HB2 ALA 12 18.415 57.184 70.484 90 HB3 ALA 12 HB3 ALA 12 19.169 58.549 69.658 91 H ASN 13 H ASN 13 16.888 59.165 68.392 92 HA ASN 13 HA ASN 13 14.176 58.184 68.686 93 HB2 ASN 13 HB2 ASN 13 15.697 58.961 66.187 94 HB3 ASN 13 HB3 ASN 13 13.965 58.659 66.293 95 HD21 ASN 13 HD21 ASN 13 15.029 61.025 65.318 96 HD22 ASN 13 HD22 ASN 13 14.626 62.307 66.403 97 H LEU 14 H LEU 14 17.246 56.877 68.103 98 HA LEU 14 HA LEU 14 16.052 54.420 66.998 99 HG LEU 14 HG LEU 14 19.634 56.070 65.498 100 HB2 LEU 14 HB2 LEU 14 18.696 54.116 66.517 101 HB3 LEU 14 HB3 LEU 14 17.536 54.767 65.361 102 HD11 LEU 14 HD11 LEU 14 18.474 57.880 64.927 103 HD12 LEU 14 HD12 LEU 14 17.800 58.054 66.547 104 HD13 LEU 14 HD13 LEU 14 17.026 56.981 65.381 105 HD21 LEU 14 HD21 LEU 14 19.238 57.568 67.824 106 HD22 LEU 14 HD22 LEU 14 20.543 56.429 67.491 107 HD23 LEU 14 HD23 LEU 14 19.083 55.881 68.316 108 H ASP 15 H ASP 15 16.847 55.610 69.824 109 HA ASP 15 HA ASP 15 18.741 53.879 70.953 110 HB2 ASP 15 HB2 ASP 15 18.269 55.709 72.295 111 HB3 ASP 15 HB3 ASP 15 16.529 55.571 72.051 112 H VAL 16 H VAL 16 15.186 53.671 70.936 113 HA VAL 16 HA VAL 16 15.020 51.210 72.291 114 HB VAL 16 HB VAL 16 12.731 51.081 71.507 115 HG11 VAL 16 HG11 VAL 16 12.107 53.601 72.010 116 HG12 VAL 16 HG12 VAL 16 12.730 52.533 73.271 117 HG13 VAL 16 HG13 VAL 16 13.807 53.678 72.470 118 HG21 VAL 16 HG21 VAL 16 13.612 53.179 69.543 119 HG22 VAL 16 HG22 VAL 16 12.865 51.614 69.219 120 HG23 VAL 16 HG23 VAL 16 11.915 52.913 69.941 121 H LYS 17 H LYS 17 13.829 49.296 71.117 122 HA LYS 17 HA LYS 17 15.096 48.762 68.525 123 HB2 LYS 17 HB2 LYS 17 15.432 46.358 69.443 124 HB3 LYS 17 HB3 LYS 17 16.592 47.607 69.879 125 HG2 LYS 17 HG2 LYS 17 16.270 46.865 71.962 126 HG3 LYS 17 HG3 LYS 17 14.796 47.833 71.900 127 HD2 LYS 17 HD2 LYS 17 13.926 45.826 72.574 128 HD3 LYS 17 HD3 LYS 17 13.811 45.632 70.824 129 HE2 LYS 17 HE2 LYS 17 16.166 44.682 72.442 130 HE3 LYS 17 HE3 LYS 17 14.766 43.670 72.089 131 HZ1 LYS 17 HZ1 LYS 17 15.297 44.402 69.655 132 HZ2 LYS 17 HZ2 LYS 17 16.142 43.122 70.372 133 HZ3 LYS 17 HZ3 LYS 17 16.849 44.656 70.278 134 H TRP 18 H TRP 18 14.215 46.510 67.715 135 HA TRP 18 HA TRP 18 11.527 46.806 67.135 136 HD1 TRP 18 HD1 TRP 18 13.143 47.400 65.265 137 HE1 TRP 18 HE1 TRP 18 15.229 47.247 63.765 138 HE3 TRP 18 HE3 TRP 18 14.426 42.532 66.155 139 HZ2 TRP 18 HZ2 TRP 18 17.161 45.317 63.052 140 HZ3 TRP 18 HZ3 TRP 18 16.406 41.609 65.023 141 HH2 TRP 18 HH2 TRP 18 17.744 42.974 63.504 142 HB2 TRP 18 HB2 TRP 18 12.830 44.095 67.231 143 HB3 TRP 18 HB3 TRP 18 11.627 44.699 66.094 144 H LEU 19 H LEU 19 9.932 44.844 67.599 145 HA LEU 19 HA LEU 19 9.292 45.037 70.373 146 HG LEU 19 HG LEU 19 6.555 44.808 70.413 147 HB2 LEU 19 HB2 LEU 19 8.048 44.009 67.941 148 HB3 LEU 19 HB3 LEU 19 7.684 43.047 69.373 149 HD11 LEU 19 HD11 LEU 19 7.499 46.819 70.375 150 HD12 LEU 19 HD12 LEU 19 6.735 47.064 68.805 151 HD13 LEU 19 HD13 LEU 19 8.385 46.451 68.896 152 HD21 LEU 19 HD21 LEU 19 5.867 45.409 67.561 153 HD22 LEU 19 HD22 LEU 19 4.805 45.271 68.963 154 HD23 LEU 19 HD23 LEU 19 5.525 43.824 68.257 155 H ASP 20 H ASP 20 11.576 43.253 68.913 156 HA ASP 20 HA ASP 20 11.378 40.637 69.608 157 HB2 ASP 20 HB2 ASP 20 13.366 41.217 68.535 158 HB3 ASP 20 HB3 ASP 20 13.708 42.526 69.663 159 H GLY 21 H GLY 21 12.767 43.113 71.780 160 HA2 GLY 21 HA2 GLY 21 11.486 41.831 74.056 161 HA3 GLY 21 HA3 GLY 21 13.243 41.779 74.044 162 H LEU 22 H LEU 22 10.738 44.229 73.366 163 HA LEU 22 HA LEU 22 12.363 46.333 74.432 164 HG LEU 22 HG LEU 22 11.750 46.729 71.944 165 HB2 LEU 22 HB2 LEU 22 9.624 46.110 73.291 166 HB3 LEU 22 HB3 LEU 22 10.017 47.532 74.254 167 HD11 LEU 22 HD11 LEU 22 9.071 47.179 71.601 168 HD12 LEU 22 HD12 LEU 22 10.320 47.436 70.382 169 HD13 LEU 22 HD13 LEU 22 9.762 48.786 71.370 170 HD21 LEU 22 HD21 LEU 22 11.589 48.908 73.823 171 HD22 LEU 22 HD22 LEU 22 11.467 49.496 72.164 172 HD23 LEU 22 HD23 LEU 22 12.854 48.522 72.654 173 H ARG 23 H ARG 23 9.560 44.498 75.555 174 HA ARG 23 HA ARG 23 8.661 45.772 77.722 175 HE ARG 23 HE ARG 23 10.819 40.153 77.578 176 HB2 ARG 23 HB2 ARG 23 8.370 43.589 78.847 177 HB3 ARG 23 HB3 ARG 23 7.895 43.544 77.154 178 HG2 ARG 23 HG2 ARG 23 9.841 42.349 76.541 179 HG3 ARG 23 HG3 ARG 23 10.595 42.640 78.111 180 HD2 ARG 23 HD2 ARG 23 8.691 41.333 79.129 181 HD3 ARG 23 HD3 ARG 23 8.237 40.876 77.487 182 HH11 ARG 23 HH11 ARG 23 8.161 39.581 79.754 183 HH12 ARG 23 HH12 ARG 23 8.775 38.060 80.311 184 HH21 ARG 23 HH21 ARG 23 11.638 38.152 78.305 185 HH22 ARG 23 HH22 ARG 23 10.753 37.249 79.488 186 H ALA 24 H ALA 24 11.836 44.316 77.441 187 HA ALA 24 HA ALA 24 12.709 44.217 80.034 188 HB1 ALA 24 HB1 ALA 24 13.916 43.773 77.729 189 HB2 ALA 24 HB2 ALA 24 14.571 45.382 78.031 190 HB3 ALA 24 HB3 ALA 24 14.832 44.090 79.202 191 H GLY 25 H GLY 25 13.218 47.035 77.893 192 HA2 GLY 25 HA2 GLY 25 13.904 48.725 80.110 193 HA3 GLY 25 HA3 GLY 25 13.708 49.227 78.437 194 H SER 26 H SER 26 12.303 50.855 78.416 195 HA SER 26 HA SER 26 10.461 52.130 78.833 196 HG SER 26 HG SER 26 9.493 48.700 79.559 197 HB2 SER 26 HB2 SER 26 8.404 51.078 78.458 198 HB3 SER 26 HB3 SER 26 9.547 49.993 77.668 199 H MET 27 H MET 27 12.048 51.802 81.065 200 HA MET 27 HA MET 27 10.676 50.911 83.362 201 HB2 MET 27 HB2 MET 27 12.339 52.389 84.580 202 HB3 MET 27 HB3 MET 27 13.025 51.155 83.533 203 HG2 MET 27 HG2 MET 27 12.657 53.537 82.020 204 HG3 MET 27 HG3 MET 27 13.500 53.932 83.516 205 HE1 MET 27 HE1 MET 27 13.577 52.533 80.081 206 HE2 MET 27 HE2 MET 27 14.643 53.931 80.230 207 HE3 MET 27 HE3 MET 27 15.311 52.355 79.806 208 H ALA 28 H ALA 28 10.733 53.979 81.665 209 HA ALA 28 HA ALA 28 9.058 55.221 83.714 210 HB1 ALA 28 HB1 ALA 28 10.993 56.185 81.851 211 HB2 ALA 28 HB2 ALA 28 9.454 56.994 81.557 212 HB3 ALA 28 HB3 ALA 28 10.186 57.048 83.162 213 H LEU 29 H LEU 29 9.006 55.137 80.144 214 HA LEU 29 HA LEU 29 6.107 54.663 80.279 215 HG LEU 29 HG LEU 29 6.846 57.253 80.938 216 HB2 LEU 29 HB2 LEU 29 7.501 56.577 78.412 217 HB3 LEU 29 HB3 LEU 29 5.782 56.189 78.396 218 HD11 LEU 29 HD11 LEU 29 6.287 59.564 79.572 219 HD12 LEU 29 HD12 LEU 29 7.225 58.636 78.401 220 HD13 LEU 29 HD13 LEU 29 7.897 58.980 79.995 221 HD21 LEU 29 HD21 LEU 29 4.690 58.632 80.579 222 HD22 LEU 29 HD22 LEU 29 4.551 56.911 80.936 223 HD23 LEU 29 HD23 LEU 29 4.364 57.485 79.279 224 H GLN 30 H GLN 30 5.308 54.157 77.919 225 HA GLN 30 HA GLN 30 6.754 51.815 77.097 226 HB2 GLN 30 HB2 GLN 30 4.246 53.124 76.043 227 HB3 GLN 30 HB3 GLN 30 4.906 51.626 75.401 228 HG2 GLN 30 HG2 GLN 30 3.835 52.119 78.166 229 HG3 GLN 30 HG3 GLN 30 3.158 51.077 76.915 230 HE21 GLN 30 HE21 GLN 30 3.907 49.036 76.686 231 HE22 GLN 30 HE22 GLN 30 5.108 48.325 77.704 232 H GLY 31 H GLY 31 8.599 52.144 75.999 233 HA2 GLY 31 HA2 GLY 31 8.892 54.321 74.131 234 HA3 GLY 31 HA3 GLY 31 10.090 53.087 74.495 235 H ASP 32 H ASP 32 7.866 51.046 73.946 236 HA ASP 32 HA ASP 32 8.605 50.494 71.273 237 HB2 ASP 32 HB2 ASP 32 6.799 48.740 71.421 238 HB3 ASP 32 HB3 ASP 32 8.020 48.658 72.686 239 H VAL 33 H VAL 33 5.434 51.404 72.634 240 HA VAL 33 HA VAL 33 4.353 51.947 70.024 241 HB VAL 33 HB VAL 33 2.365 52.781 71.297 242 HG11 VAL 33 HG11 VAL 33 2.888 50.158 72.521 243 HG12 VAL 33 HG12 VAL 33 1.576 50.678 71.460 244 HG13 VAL 33 HG13 VAL 33 3.143 50.240 70.778 245 HG21 VAL 33 HG21 VAL 33 2.817 51.755 73.838 246 HG22 VAL 33 HG22 VAL 33 4.280 52.667 73.464 247 HG23 VAL 33 HG23 VAL 33 2.705 53.458 73.393 248 H LYS 34 H LYS 34 5.708 53.806 72.664 249 HA LYS 34 HA LYS 34 4.846 56.356 72.101 250 HB2 LYS 34 HB2 LYS 34 6.157 56.109 74.029 251 HB3 LYS 34 HB3 LYS 34 7.454 55.303 73.157 252 HG2 LYS 34 HG2 LYS 34 8.197 57.326 72.195 253 HG3 LYS 34 HG3 LYS 34 6.737 58.183 72.696 254 HD2 LYS 34 HD2 LYS 34 7.670 58.717 74.644 255 HD3 LYS 34 HD3 LYS 34 8.008 57.018 74.987 256 HE2 LYS 34 HE2 LYS 34 9.990 57.372 73.329 257 HE3 LYS 34 HE3 LYS 34 9.746 59.079 73.694 258 HZ1 LYS 34 HZ1 LYS 34 9.876 57.285 75.978 259 HZ2 LYS 34 HZ2 LYS 34 10.522 58.836 75.780 260 HZ3 LYS 34 HZ3 LYS 34 11.320 57.498 75.123 261 H VAL 35 H VAL 35 7.458 54.545 70.551 262 HA VAL 35 HA VAL 35 8.076 56.752 68.771 263 HB VAL 35 HB VAL 35 9.811 55.349 67.862 264 HG11 VAL 35 HG11 VAL 35 11.122 54.896 69.884 265 HG12 VAL 35 HG12 VAL 35 10.295 56.452 69.980 266 HG13 VAL 35 HG13 VAL 35 9.664 55.059 70.861 267 HG21 VAL 35 HG21 VAL 35 9.334 53.046 69.622 268 HG22 VAL 35 HG22 VAL 35 8.150 53.254 68.332 269 HG23 VAL 35 HG23 VAL 35 9.862 53.101 67.941 270 H TRP 36 H TRP 36 6.088 53.947 68.800 271 HA TRP 36 HA TRP 36 5.888 53.111 66.227 272 HD1 TRP 36 HD1 TRP 36 2.547 54.170 65.335 273 HE1 TRP 36 HE1 TRP 36 1.187 52.463 63.971 274 HE3 TRP 36 HE3 TRP 36 3.957 49.890 67.752 275 HZ2 TRP 36 HZ2 TRP 36 0.766 49.672 63.925 276 HZ3 TRP 36 HZ3 TRP 36 3.030 47.744 66.986 277 HH2 TRP 36 HH2 TRP 36 1.468 47.639 65.113 278 HB2 TRP 36 HB2 TRP 36 4.523 52.202 68.055 279 HB3 TRP 36 HB3 TRP 36 3.562 53.678 68.077 280 H MET 37 H MET 37 4.584 56.103 67.560 281 HA MET 37 HA MET 37 3.184 56.858 65.192 282 HB2 MET 37 HB2 MET 37 3.075 59.103 66.292 283 HB3 MET 37 HB3 MET 37 2.461 57.784 67.279 284 HG2 MET 37 HG2 MET 37 5.063 57.866 68.052 285 HG3 MET 37 HG3 MET 37 4.739 59.565 67.715 286 HE1 MET 37 HE1 MET 37 2.798 56.582 68.869 287 HE2 MET 37 HE2 MET 37 3.679 56.554 70.396 288 HE3 MET 37 HE3 MET 37 1.993 57.071 70.361 289 H GLN 38 H GLN 38 6.296 57.813 66.619 290 HA GLN 38 HA GLN 38 7.020 59.671 64.645 291 HB2 GLN 38 HB2 GLN 38 9.049 59.793 65.709 292 HB3 GLN 38 HB3 GLN 38 8.084 59.063 66.986 293 HG2 GLN 38 HG2 GLN 38 9.744 57.576 67.087 294 HG3 GLN 38 HG3 GLN 38 8.960 56.859 65.680 295 HE21 GLN 38 HE21 GLN 38 11.825 57.134 66.661 296 HE22 GLN 38 HE22 GLN 38 12.683 57.700 65.272 297 H ASN 39 H ASN 39 7.091 56.208 64.687 298 HA ASN 39 HA ASN 39 8.999 55.822 62.624 299 HB2 ASN 39 HB2 ASN 39 7.200 54.181 64.205 300 HB3 ASN 39 HB3 ASN 39 7.243 53.651 62.526 301 HD21 ASN 39 HD21 ASN 39 8.158 51.784 63.889 302 HD22 ASN 39 HD22 ASN 39 9.881 51.738 64.017 303 H LEU 40 H LEU 40 5.459 56.024 62.637 304 HA LEU 40 HA LEU 40 5.277 55.700 59.783 305 HG LEU 40 HG LEU 40 3.599 55.722 63.096 306 HB2 LEU 40 HB2 LEU 40 2.953 56.862 61.090 307 HB3 LEU 40 HB3 LEU 40 3.098 55.384 60.144 308 HD11 LEU 40 HD11 LEU 40 1.310 55.035 61.553 309 HD12 LEU 40 HD12 LEU 40 1.480 55.114 63.306 310 HD13 LEU 40 HD13 LEU 40 1.830 53.610 62.453 311 HD21 LEU 40 HD21 LEU 40 3.783 53.088 62.748 312 HD22 LEU 40 HD22 LEU 40 5.189 54.152 62.691 313 HD23 LEU 40 HD23 LEU 40 4.433 53.608 61.193 314 H GLU 41 H GLU 41 4.792 58.381 62.069 315 HA GLU 41 HA GLU 41 4.022 60.393 60.400 316 HB2 GLU 41 HB2 GLU 41 4.734 60.315 62.982 317 HB3 GLU 41 HB3 GLU 41 6.171 61.089 62.328 318 HG2 GLU 41 HG2 GLU 41 4.822 62.869 62.928 319 HG3 GLU 41 HG3 GLU 41 4.543 62.711 61.195 320 H ASP 42 H ASP 42 7.064 58.777 60.444 321 HA ASP 42 HA ASP 42 8.469 60.825 58.968 322 HB2 ASP 42 HB2 ASP 42 9.293 58.781 60.592 323 HB3 ASP 42 HB3 ASP 42 9.622 58.121 58.993 324 H LEU 43 H LEU 43 7.167 57.591 58.296 325 HA LEU 43 HA LEU 43 7.802 57.807 55.483 326 HG LEU 43 HG LEU 43 7.151 54.180 55.149 327 HB2 LEU 43 HB2 LEU 43 7.680 55.690 57.052 328 HB3 LEU 43 HB3 LEU 43 5.988 55.707 56.561 329 HD11 LEU 43 HD11 LEU 43 5.483 55.431 53.990 330 HD12 LEU 43 HD12 LEU 43 6.876 55.269 52.920 331 HD13 LEU 43 HD13 LEU 43 6.583 56.791 53.761 332 HD21 LEU 43 HD21 LEU 43 9.354 55.740 55.575 333 HD22 LEU 43 HD22 LEU 43 8.966 56.095 53.891 334 HD23 LEU 43 HD23 LEU 43 9.245 54.430 54.399 335 H HIS 44 H HIS 44 4.803 57.467 57.384 336 HA HIS 44 HA HIS 44 2.899 57.652 55.469 337 HD1 HIS 44 HD1 HIS 44 1.278 60.970 57.104 338 HD2 HIS 44 HD2 HIS 44 -0.184 57.084 56.938 339 HE1 HIS 44 HE1 HIS 44 -1.180 61.195 56.620 340 HB2 HIS 44 HB2 HIS 44 2.391 57.454 57.862 341 HB3 HIS 44 HB3 HIS 44 2.873 59.130 58.109 342 H THR 45 H THR 45 4.878 60.290 56.693 343 HA THR 45 HA THR 45 3.609 62.506 55.713 344 HB THR 45 HB THR 45 5.816 62.407 56.986 345 HG1 THR 45 HG1 THR 45 6.463 64.419 56.050 346 HG21 THR 45 HG21 THR 45 6.871 60.944 55.161 347 HG22 THR 45 HG22 THR 45 7.848 62.254 55.821 348 HG23 THR 45 HG23 THR 45 7.066 62.443 54.252 349 H ARG 46 H ARG 46 5.639 60.232 53.921 350 HA ARG 46 HA ARG 46 5.078 61.683 51.437 351 HE ARG 46 HE ARG 46 8.681 58.508 49.396 352 HB2 ARG 46 HB2 ARG 46 7.431 61.033 51.989 353 HB3 ARG 46 HB3 ARG 46 6.945 59.347 51.873 354 HG2 ARG 46 HG2 ARG 46 6.693 59.435 49.586 355 HG3 ARG 46 HG3 ARG 46 6.448 61.183 49.576 356 HD2 ARG 46 HD2 ARG 46 8.581 61.110 48.781 357 HD3 ARG 46 HD3 ARG 46 8.926 61.161 50.509 358 HH11 ARG 46 HH11 ARG 46 10.815 61.149 50.162 359 HH12 ARG 46 HH12 ARG 46 12.236 60.158 50.210 360 HH21 ARG 46 HH21 ARG 46 10.545 57.193 49.456 361 HH22 ARG 46 HH22 ARG 46 12.081 57.909 49.807 362 H ARG 47 H ARG 47 4.956 58.378 52.754 363 HA ARG 47 HA ARG 47 2.741 57.822 50.900 364 HE ARG 47 HE ARG 47 2.251 54.130 48.145 365 HB2 ARG 47 HB2 ARG 47 5.011 56.767 50.281 366 HB3 ARG 47 HB3 ARG 47 4.750 55.720 51.670 367 HG2 ARG 47 HG2 ARG 47 3.515 54.380 50.423 368 HG3 ARG 47 HG3 ARG 47 2.378 55.697 50.130 369 HD2 ARG 47 HD2 ARG 47 3.671 56.428 48.217 370 HD3 ARG 47 HD3 ARG 47 4.891 55.196 48.540 371 HH11 ARG 47 HH11 ARG 47 5.180 55.174 46.580 372 HH12 ARG 47 HH12 ARG 47 4.925 54.206 45.166 373 HH21 ARG 47 HH21 ARG 47 1.903 52.851 46.290 374 HH22 ARG 47 HH22 ARG 47 3.059 52.886 45.002 375 HA PRO 48 HA PRO 48 0.857 56.885 54.847 376 HB2 PRO 48 HB2 PRO 48 -1.620 56.421 53.838 377 HB3 PRO 48 HB3 PRO 48 -0.973 58.047 54.086 378 HG2 PRO 48 HG2 PRO 48 -1.119 56.429 51.572 379 HG3 PRO 48 HG3 PRO 48 -1.470 58.150 51.817 380 HD2 PRO 48 HD2 PRO 48 0.868 57.276 50.768 381 HD3 PRO 48 HD3 PRO 48 0.757 58.741 51.763 382 H ASP 49 H ASP 49 0.770 54.905 51.950 383 HA ASP 49 HA ASP 49 -0.298 52.578 53.212 384 HB2 ASP 49 HB2 ASP 49 -0.546 52.821 50.829 385 HB3 ASP 49 HB3 ASP 49 1.196 52.959 50.612 386 H GLU 50 H GLU 50 2.982 53.472 52.145 387 HA GLU 50 HA GLU 50 4.247 51.172 53.173 388 HB2 GLU 50 HB2 GLU 50 5.016 53.516 51.777 389 HB3 GLU 50 HB3 GLU 50 6.037 53.409 53.205 390 HG2 GLU 50 HG2 GLU 50 7.087 51.531 52.492 391 HG3 GLU 50 HG3 GLU 50 5.675 50.940 51.616 392 H PHE 51 H PHE 51 2.904 53.849 54.737 393 HA PHE 51 HA PHE 51 4.468 54.480 56.856 394 HD1 PHE 51 HD1 PHE 51 1.013 52.552 55.861 395 HD2 PHE 51 HD2 PHE 51 1.346 54.473 59.645 396 HE1 PHE 51 HE1 PHE 51 -0.708 51.048 56.771 397 HE2 PHE 51 HE2 PHE 51 -0.374 52.972 60.562 398 HZ PHE 51 HZ PHE 51 -1.403 51.256 59.126 399 HB2 PHE 51 HB2 PHE 51 2.578 55.266 57.888 400 HB3 PHE 51 HB3 PHE 51 1.930 55.027 56.269 401 H THR 52 H THR 52 2.575 51.522 56.485 402 HA THR 52 HA THR 52 3.110 50.487 59.070 403 HB THR 52 HB THR 52 1.353 49.325 58.232 404 HG1 THR 52 HG1 THR 52 2.014 47.278 57.808 405 HG21 THR 52 HG21 THR 52 1.266 48.609 55.773 406 HG22 THR 52 HG22 THR 52 2.648 49.680 55.543 407 HG23 THR 52 HG23 THR 52 1.114 50.331 56.122 408 H ALA 53 H ALA 53 4.664 50.058 55.919 409 HA ALA 53 HA ALA 53 6.408 48.023 56.359 410 HB1 ALA 53 HB1 ALA 53 7.608 50.419 55.105 411 HB2 ALA 53 HB2 ALA 53 7.542 48.750 54.537 412 HB3 ALA 53 HB3 ALA 53 6.127 49.793 54.380 413 H ARG 54 H ARG 54 6.280 50.945 58.093 414 HA ARG 54 HA ARG 54 9.032 50.999 58.917 415 HE ARG 54 HE ARG 54 9.961 53.146 57.304 416 HB2 ARG 54 HB2 ARG 54 7.197 52.916 58.840 417 HB3 ARG 54 HB3 ARG 54 6.900 52.372 60.485 418 HG2 ARG 54 HG2 ARG 54 8.470 53.894 60.986 419 HG3 ARG 54 HG3 ARG 54 9.580 52.595 60.544 420 HD2 ARG 54 HD2 ARG 54 8.555 54.505 58.477 421 HD3 ARG 54 HD3 ARG 54 9.912 54.946 59.513 422 HH11 ARG 54 HH11 ARG 54 11.382 53.804 60.413 423 HH12 ARG 54 HH12 ARG 54 12.876 53.007 60.044 424 HH21 ARG 54 HH21 ARG 54 11.922 52.093 56.807 425 HH22 ARG 54 HH22 ARG 54 13.183 52.035 57.993 426 H LEU 55 H LEU 55 6.048 50.590 60.831 427 HA LEU 55 HA LEU 55 7.514 49.214 62.902 428 HG LEU 55 HG LEU 55 3.346 50.023 63.352 429 HB2 LEU 55 HB2 LEU 55 5.515 49.280 64.162 430 HB3 LEU 55 HB3 LEU 55 5.644 50.826 63.326 431 HD11 LEU 55 HD11 LEU 55 4.336 49.712 60.539 432 HD12 LEU 55 HD12 LEU 55 4.395 51.265 61.372 433 HD13 LEU 55 HD13 LEU 55 2.847 50.462 61.117 434 HD21 LEU 55 HD21 LEU 55 3.893 47.805 61.486 435 HD22 LEU 55 HD22 LEU 55 2.680 47.950 62.759 436 HD23 LEU 55 HD23 LEU 55 4.344 47.534 63.170 437 H GLN 56 H GLN 56 5.873 48.344 60.064 438 HA GLN 56 HA GLN 56 4.607 45.990 60.524 439 HB2 GLN 56 HB2 GLN 56 5.018 45.395 58.288 440 HB3 GLN 56 HB3 GLN 56 5.080 47.153 58.294 441 HG2 GLN 56 HG2 GLN 56 7.334 47.217 57.920 442 HG3 GLN 56 HG3 GLN 56 7.611 45.638 58.654 443 HE21 GLN 56 HE21 GLN 56 8.002 47.095 55.899 444 HE22 GLN 56 HE22 GLN 56 7.597 45.850 54.772 445 H GLN 57 H GLN 57 8.016 46.604 60.806 446 HA GLN 57 HA GLN 57 8.753 43.820 60.914 447 HB2 GLN 57 HB2 GLN 57 10.189 46.421 61.211 448 HB3 GLN 57 HB3 GLN 57 10.944 44.965 61.842 449 HG2 GLN 57 HG2 GLN 57 10.059 44.314 59.267 450 HG3 GLN 57 HG3 GLN 57 10.787 45.915 59.144 451 HE21 GLN 57 HE21 GLN 57 12.928 46.064 59.062 452 HE22 GLN 57 HE22 GLN 57 14.035 44.768 59.348 453 H SER 58 H SER 58 8.147 46.424 63.203 454 HA SER 58 HA SER 58 9.021 44.982 65.502 455 HG SER 58 HG SER 58 9.655 47.529 66.598 456 HB2 SER 58 HB2 SER 58 7.336 47.460 65.136 457 HB3 SER 58 HB3 SER 58 7.688 46.788 66.728 458 H THR 59 H THR 59 5.737 45.988 64.531 459 HA THR 59 HA THR 59 4.239 44.615 66.335 460 HB THR 59 HB THR 59 3.381 46.102 64.478 461 HG1 THR 59 HG1 THR 59 1.912 43.683 64.618 462 HG21 THR 59 HG21 THR 59 4.544 44.648 62.699 463 HG22 THR 59 HG22 THR 59 2.924 45.248 62.347 464 HG23 THR 59 HG23 THR 59 3.152 43.578 62.866 465 H ASP 60 H ASP 60 6.193 43.267 63.848 466 HA ASP 60 HA ASP 60 4.950 40.809 63.407 467 HB2 ASP 60 HB2 ASP 60 7.401 42.027 62.720 468 HB3 ASP 60 HB3 ASP 60 7.808 40.484 63.468 469 H ALA 61 H ALA 61 7.321 41.745 65.876 470 HA ALA 61 HA ALA 61 7.679 39.256 67.073 471 HB1 ALA 61 HB1 ALA 61 8.249 42.016 67.731 472 HB2 ALA 61 HB2 ALA 61 7.830 41.073 69.161 473 HB3 ALA 61 HB3 ALA 61 9.154 40.553 68.118 474 H LEU 62 H LEU 62 5.341 41.813 67.885 475 HA LEU 62 HA LEU 62 4.083 40.324 69.955 476 HG LEU 62 HG LEU 62 2.667 41.503 71.243 477 HB2 LEU 62 HB2 LEU 62 4.078 42.891 69.394 478 HB3 LEU 62 HB3 LEU 62 2.648 42.465 68.457 479 HD11 LEU 62 HD11 LEU 62 2.229 43.598 72.257 480 HD12 LEU 62 HD12 LEU 62 2.237 44.431 70.704 481 HD13 LEU 62 HD13 LEU 62 3.737 43.777 71.361 482 HD21 LEU 62 HD21 LEU 62 0.491 41.383 70.818 483 HD22 LEU 62 HD22 LEU 62 0.826 41.925 69.173 484 HD23 LEU 62 HD23 LEU 62 0.426 43.102 70.424 485 H TYR 63 H TYR 63 3.546 40.663 66.508 486 HA TYR 63 HA TYR 63 0.979 39.484 66.414 487 HD1 TYR 63 HD1 TYR 63 4.222 38.245 63.842 488 HD2 TYR 63 HD2 TYR 63 0.050 38.746 63.174 489 HE1 TYR 63 HE1 TYR 63 4.265 36.395 62.221 490 HE2 TYR 63 HE2 TYR 63 0.081 36.897 61.552 491 HH TYR 63 HH TYR 63 2.229 35.857 59.991 492 HB2 TYR 63 HB2 TYR 63 1.271 40.397 64.378 493 HB3 TYR 63 HB3 TYR 63 3.026 40.324 64.504 494 H SER 64 H SER 64 4.228 38.136 65.903 495 HA SER 64 HA SER 64 3.269 35.470 65.518 496 HG SER 64 HG SER 64 4.735 34.312 64.565 497 HB2 SER 64 HB2 SER 64 5.538 36.616 64.784 498 HB3 SER 64 HB3 SER 64 6.090 36.017 66.348 499 H HIS 65 H HIS 65 4.689 37.253 68.220 500 HA HIS 65 HA HIS 65 5.012 35.155 70.019 501 HD1 HIS 65 HD1 HIS 65 3.555 38.333 72.916 502 HD2 HIS 65 HD2 HIS 65 6.272 35.212 72.537 503 HE1 HIS 65 HE1 HIS 65 3.918 37.470 75.250 504 HB2 HIS 65 HB2 HIS 65 5.908 37.385 70.442 505 HB3 HIS 65 HB3 HIS 65 4.277 38.036 70.581 506 H LEU 66 H LEU 66 2.170 37.159 69.359 507 HA LEU 66 HA LEU 66 0.555 35.954 71.380 508 HG LEU 66 HG LEU 66 -1.964 36.424 70.953 509 HB2 LEU 66 HB2 LEU 66 0.273 38.240 70.259 510 HB3 LEU 66 HB3 LEU 66 -0.483 37.355 68.936 511 HD11 LEU 66 HD11 LEU 66 -0.577 37.897 72.522 512 HD12 LEU 66 HD12 LEU 66 -2.333 37.954 72.675 513 HD13 LEU 66 HD13 LEU 66 -1.479 39.248 71.834 514 HD21 LEU 66 HD21 LEU 66 -3.206 38.840 70.395 515 HD22 LEU 66 HD22 LEU 66 -3.387 37.329 69.502 516 HD23 LEU 66 HD23 LEU 66 -2.202 38.527 68.979 517 H GLU 67 H GLU 67 0.412 35.756 67.817 518 HA GLU 67 HA GLU 67 -1.482 33.733 67.648 519 HB2 GLU 67 HB2 GLU 67 -0.453 35.184 65.784 520 HB3 GLU 67 HB3 GLU 67 0.809 33.962 65.711 521 HG2 GLU 67 HG2 GLU 67 -1.320 32.367 65.550 522 HG3 GLU 67 HG3 GLU 67 -2.014 33.831 64.855 523 H ALA 68 H ALA 68 1.933 33.562 68.327 524 HA ALA 68 HA ALA 68 2.070 30.694 67.986 525 HB1 ALA 68 HB1 ALA 68 4.116 32.508 69.253 526 HB2 ALA 68 HB2 ALA 68 4.369 30.886 68.608 527 HB3 ALA 68 HB3 ALA 68 3.991 32.219 67.517 528 H GLN 69 H GLN 69 2.599 32.871 70.768 529 HA GLN 69 HA GLN 69 2.473 30.782 72.679 530 HB2 GLN 69 HB2 GLN 69 3.374 33.314 72.764 531 HB3 GLN 69 HB3 GLN 69 1.808 33.544 73.529 532 HG2 GLN 69 HG2 GLN 69 3.157 31.240 74.611 533 HG3 GLN 69 HG3 GLN 69 4.163 32.684 74.729 534 HE21 GLN 69 HE21 GLN 69 2.106 30.900 76.420 535 HE22 GLN 69 HE22 GLN 69 1.373 32.104 77.419 536 H TRP 70 H TRP 70 0.171 33.410 71.959 537 HA TRP 70 HA TRP 70 -1.883 32.614 73.627 538 HD1 TRP 70 HD1 TRP 70 -2.902 35.672 74.153 539 HE1 TRP 70 HE1 TRP 70 -5.401 35.860 74.738 540 HE3 TRP 70 HE3 TRP 70 -4.797 32.465 70.652 541 HZ2 TRP 70 HZ2 TRP 70 -7.852 34.788 73.835 542 HZ3 TRP 70 HZ3 TRP 70 -7.229 32.100 70.581 543 HH2 TRP 70 HH2 TRP 70 -8.724 33.239 72.141 544 HB2 TRP 70 HB2 TRP 70 -1.619 34.699 72.046 545 HB3 TRP 70 HB3 TRP 70 -2.536 33.705 70.916 546 H ALA 71 H ALA 71 -0.806 31.192 70.672 547 HA ALA 71 HA ALA 71 -2.988 29.906 69.653 548 HB1 ALA 71 HB1 ALA 71 -1.527 28.631 68.490 549 HB2 ALA 71 HB2 ALA 71 -0.360 29.785 69.138 550 HB3 ALA 71 HB3 ALA 71 -0.580 28.217 69.918 551 H LYS 72 H LYS 72 -0.974 28.793 72.365 552 HA LYS 72 HA LYS 72 -2.032 26.363 72.930 553 HB2 LYS 72 HB2 LYS 72 -0.906 28.541 74.579 554 HB3 LYS 72 HB3 LYS 72 -1.845 27.337 75.453 555 HG2 LYS 72 HG2 LYS 72 0.143 26.296 75.577 556 HG3 LYS 72 HG3 LYS 72 -0.306 25.716 73.971 557 HD2 LYS 72 HD2 LYS 72 1.125 28.318 74.197 558 HD3 LYS 72 HD3 LYS 72 2.044 26.828 74.421 559 HE2 LYS 72 HE2 LYS 72 0.227 27.091 72.069 560 HE3 LYS 72 HE3 LYS 72 1.793 27.901 72.044 561 HZ1 LYS 72 HZ1 LYS 72 1.182 25.130 71.720 562 HZ2 LYS 72 HZ2 LYS 72 2.347 25.375 72.924 563 HZ3 LYS 72 HZ3 LYS 72 2.609 25.965 71.361 564 H GLN 73 H GLN 73 -3.592 29.452 73.332 565 HA GLN 73 HA GLN 73 -5.641 28.820 75.086 566 HB2 GLN 73 HB2 GLN 73 -5.565 30.690 72.723 567 HB3 GLN 73 HB3 GLN 73 -6.959 30.574 73.788 568 HG2 GLN 73 HG2 GLN 73 -4.244 31.101 74.913 569 HG3 GLN 73 HG3 GLN 73 -5.189 32.407 74.199 570 HE21 GLN 73 HE21 GLN 73 -4.425 31.002 77.019 571 HE22 GLN 73 HE22 GLN 73 -5.832 31.382 77.947 572 H HIS 74 H HIS 74 -5.841 28.759 71.522 573 HA HIS 74 HA HIS 74 -7.727 26.518 71.748 574 HD1 HIS 74 HD1 HIS 74 -11.137 27.571 69.861 575 HD2 HIS 74 HD2 HIS 74 -9.207 28.431 73.437 576 HE1 HIS 74 HE1 HIS 74 -12.932 27.526 71.622 577 HB2 HIS 74 HB2 HIS 74 -8.183 29.167 70.524 578 HB3 HIS 74 HB3 HIS 74 -8.697 27.789 69.556 579 H GLY 75 H GLY 75 -5.826 28.451 69.430 580 HA2 GLY 75 HA2 GLY 75 -4.043 27.431 68.167 581 HA3 GLY 75 HA3 GLY 75 -4.936 25.918 68.216 582 H THR 76 H THR 76 -7.478 27.306 67.582 583 HA THR 76 HA THR 76 -7.114 27.339 64.693 584 HB THR 76 HB THR 76 -9.127 26.394 64.657 585 HG1 THR 76 HG1 THR 76 -9.945 28.773 65.990 586 HG21 THR 76 HG21 THR 76 -8.529 25.551 66.901 587 HG22 THR 76 HG22 THR 76 -10.269 25.767 66.709 588 HG23 THR 76 HG23 THR 76 -9.328 26.948 67.620 589 HA PRO 77 HA PRO 77 -9.105 31.681 65.624 590 HB2 PRO 77 HB2 PRO 77 -8.697 32.627 68.135 591 HB3 PRO 77 HB3 PRO 77 -10.122 31.684 67.685 592 HG2 PRO 77 HG2 PRO 77 -7.620 30.793 69.066 593 HG3 PRO 77 HG3 PRO 77 -9.307 30.377 69.427 594 HD2 PRO 77 HD2 PRO 77 -7.658 28.720 68.060 595 HD3 PRO 77 HD3 PRO 77 -9.406 28.793 67.755 596 HA PRO 78 HA PRO 78 -4.653 33.109 67.060 597 HB2 PRO 78 HB2 PRO 78 -2.817 31.110 66.998 598 HB3 PRO 78 HB3 PRO 78 -3.729 31.532 68.452 599 HG2 PRO 78 HG2 PRO 78 -4.211 29.325 66.488 600 HG3 PRO 78 HG3 PRO 78 -4.292 29.285 68.259 601 HD2 PRO 78 HD2 PRO 78 -6.502 29.468 66.705 602 HD3 PRO 78 HD3 PRO 78 -6.399 30.219 68.311 603 H THR 79 H THR 79 -4.706 34.129 65.066 604 HA THR 79 HA THR 79 -2.855 33.181 63.111 605 HB THR 79 HB THR 79 -5.691 33.442 62.120 606 HG1 THR 79 HG1 THR 79 -5.216 30.988 61.895 607 HG21 THR 79 HG21 THR 79 -3.060 32.664 60.932 608 HG22 THR 79 HG22 THR 79 -4.293 33.755 60.302 609 HG23 THR 79 HG23 THR 79 -4.552 32.011 60.257 610 H ALA 80 H ALA 80 -2.613 34.714 61.296 611 HA ALA 80 HA ALA 80 -2.291 37.311 62.071 612 HB1 ALA 80 HB1 ALA 80 -2.770 36.147 59.344 613 HB2 ALA 80 HB2 ALA 80 -2.434 37.862 59.585 614 HB3 ALA 80 HB3 ALA 80 -1.247 36.652 60.077 615 H SER 81 H SER 81 -5.236 35.749 61.170 616 HA SER 81 HA SER 81 -6.739 38.055 60.482 617 HG SER 81 HG SER 81 -7.975 35.082 59.212 618 HB2 SER 81 HB2 SER 81 -7.449 35.249 61.292 619 HB3 SER 81 HB3 SER 81 -8.708 36.474 61.129 620 H ASP 82 H ASP 82 -6.783 36.070 63.448 621 HA ASP 82 HA ASP 82 -8.293 38.015 64.903 622 HB2 ASP 82 HB2 ASP 82 -6.895 35.458 65.636 623 HB3 ASP 82 HB3 ASP 82 -7.553 36.511 66.885 624 H VAL 83 H VAL 83 -4.908 36.923 65.047 625 HA VAL 83 HA VAL 83 -3.942 38.480 67.075 626 HB VAL 83 HB VAL 83 -2.479 38.005 64.476 627 HG11 VAL 83 HG11 VAL 83 -0.928 37.885 66.915 628 HG12 VAL 83 HG12 VAL 83 -0.668 38.850 65.460 629 HG13 VAL 83 HG13 VAL 83 -1.734 39.445 66.735 630 HG21 VAL 83 HG21 VAL 83 -3.577 36.069 66.088 631 HG22 VAL 83 HG22 VAL 83 -2.219 35.844 64.986 632 HG23 VAL 83 HG23 VAL 83 -1.924 36.189 66.689 633 H VAL 84 H VAL 84 -5.035 39.513 63.964 634 HA VAL 84 HA VAL 84 -3.698 41.918 63.622 635 HB VAL 84 HB VAL 84 -5.480 40.727 62.123 636 HG11 VAL 84 HG11 VAL 84 -7.280 42.822 63.276 637 HG12 VAL 84 HG12 VAL 84 -7.687 41.426 62.276 638 HG13 VAL 84 HG13 VAL 84 -7.234 41.200 63.966 639 HG21 VAL 84 HG21 VAL 84 -4.105 42.834 61.687 640 HG22 VAL 84 HG22 VAL 84 -5.601 42.642 60.771 641 HG23 VAL 84 HG23 VAL 84 -5.551 43.730 62.158 642 H GLY 85 H GLY 85 -6.441 41.143 65.687 643 HA2 GLY 85 HA2 GLY 85 -6.114 43.776 66.963 644 HA3 GLY 85 HA3 GLY 85 -7.718 43.223 66.504 645 H MET 86 H MET 86 -6.068 40.521 67.352 646 HA MET 86 HA MET 86 -7.533 40.110 69.720 647 HB2 MET 86 HB2 MET 86 -6.761 38.250 68.354 648 HB3 MET 86 HB3 MET 86 -5.085 38.677 68.676 649 HG2 MET 86 HG2 MET 86 -5.069 37.575 70.604 650 HG3 MET 86 HG3 MET 86 -6.603 38.281 71.112 651 HE1 MET 86 HE1 MET 86 -4.937 36.086 68.691 652 HE2 MET 86 HE2 MET 86 -5.314 34.530 69.431 653 HE3 MET 86 HE3 MET 86 -6.225 35.079 68.024 654 HA PRO 87 HA PRO 87 -3.298 41.001 71.933 655 HB2 PRO 87 HB2 PRO 87 -1.526 42.496 70.522 656 HB3 PRO 87 HB3 PRO 87 -1.544 40.731 70.475 657 HG2 PRO 87 HG2 PRO 87 -2.692 42.688 68.524 658 HG3 PRO 87 HG3 PRO 87 -1.783 41.198 68.210 659 HD2 PRO 87 HD2 PRO 87 -4.481 41.326 68.022 660 HD3 PRO 87 HD3 PRO 87 -3.628 39.856 68.535 661 H GLN 88 H GLN 88 -2.181 43.144 72.656 662 HA GLN 88 HA GLN 88 -4.284 45.109 72.914 663 HB2 GLN 88 HB2 GLN 88 -2.871 46.146 74.576 664 HB3 GLN 88 HB3 GLN 88 -2.904 44.410 74.852 665 HG2 GLN 88 HG2 GLN 88 -0.734 44.330 73.519 666 HG3 GLN 88 HG3 GLN 88 -0.687 46.080 73.724 667 HE21 GLN 88 HE21 GLN 88 0.251 46.841 75.484 668 HE22 GLN 88 HE22 GLN 88 0.619 45.934 76.908 669 H TRP 89 H TRP 89 -1.134 44.839 71.383 670 HA TRP 89 HA TRP 89 -0.463 47.391 70.770 671 HD1 TRP 89 HD1 TRP 89 -0.682 43.178 68.610 672 HE1 TRP 89 HE1 TRP 89 -1.586 42.984 66.208 673 HE3 TRP 89 HE3 TRP 89 -0.303 48.078 67.201 674 HZ2 TRP 89 HZ2 TRP 89 -2.072 44.683 64.007 675 HZ3 TRP 89 HZ3 TRP 89 -1.008 48.710 64.930 676 HH2 TRP 89 HH2 TRP 89 -1.873 47.046 63.367 677 HB2 TRP 89 HB2 TRP 89 0.876 46.536 69.115 678 HB3 TRP 89 HB3 TRP 89 0.491 45.044 69.968 679 H GLN 90 H GLN 90 -3.062 45.517 69.325 680 HA GLN 90 HA GLN 90 -3.668 47.252 67.198 681 HB2 GLN 90 HB2 GLN 90 -4.588 45.059 67.154 682 HB3 GLN 90 HB3 GLN 90 -5.339 45.266 68.730 683 HG2 GLN 90 HG2 GLN 90 -6.252 47.256 66.843 684 HG3 GLN 90 HG3 GLN 90 -6.531 45.616 66.258 685 HE21 GLN 90 HE21 GLN 90 -8.644 47.229 66.805 686 HE22 GLN 90 HE22 GLN 90 -9.468 46.673 68.217 687 H GLU 91 H GLU 91 -4.755 47.170 70.556 688 HA GLU 91 HA GLU 91 -6.581 49.372 70.186 689 HB2 GLU 91 HB2 GLU 91 -6.212 47.359 72.118 690 HB3 GLU 91 HB3 GLU 91 -5.912 48.879 72.946 691 HG2 GLU 91 HG2 GLU 91 -8.067 49.700 72.416 692 HG3 GLU 91 HG3 GLU 91 -8.360 48.383 71.281 693 H TYR 92 H TYR 92 -3.510 48.883 71.919 694 HA TYR 92 HA TYR 92 -3.166 51.454 72.892 695 HD1 TYR 92 HD1 TYR 92 -2.812 48.537 74.388 696 HD2 TYR 92 HD2 TYR 92 -0.017 51.745 74.358 697 HE1 TYR 92 HE1 TYR 92 -2.742 48.492 76.847 698 HE2 TYR 92 HE2 TYR 92 0.062 51.708 76.815 699 HH TYR 92 HH TYR 92 -1.977 49.486 78.686 700 HB2 TYR 92 HB2 TYR 92 -1.421 49.150 72.338 701 HB3 TYR 92 HB3 TYR 92 -0.596 50.705 72.338 702 H THR 93 H THR 93 -1.682 50.126 69.930 703 HA THR 93 HA THR 93 -0.512 52.364 68.914 704 HB THR 93 HB THR 93 -0.413 50.123 67.852 705 HG1 THR 93 HG1 THR 93 -0.418 50.980 65.687 706 HG21 THR 93 HG21 THR 93 -2.162 49.124 66.816 707 HG22 THR 93 HG22 THR 93 -2.827 50.652 66.235 708 HG23 THR 93 HG23 THR 93 -3.110 50.142 67.900 709 H ALA 94 H ALA 94 -3.922 51.638 69.033 710 HA ALA 94 HA ALA 94 -4.747 53.652 67.187 711 HB1 ALA 94 HB1 ALA 94 -6.020 51.670 68.889 712 HB2 ALA 94 HB2 ALA 94 -6.915 53.189 68.825 713 HB3 ALA 94 HB3 ALA 94 -6.533 52.326 67.334 714 H MET 95 H MET 95 -4.579 53.468 70.729 715 HA MET 95 HA MET 95 -5.715 55.941 71.322 716 HB2 MET 95 HB2 MET 95 -4.481 53.885 72.752 717 HB3 MET 95 HB3 MET 95 -3.513 55.311 73.101 718 HG2 MET 95 HG2 MET 95 -5.232 56.392 74.161 719 HG3 MET 95 HG3 MET 95 -6.476 55.499 73.289 720 HE1 MET 95 HE1 MET 95 -7.081 54.618 77.071 721 HE2 MET 95 HE2 MET 95 -6.848 56.111 76.163 722 HE3 MET 95 HE3 MET 95 -7.951 54.876 75.558 723 H LEU 96 H LEU 96 -2.649 55.174 69.956 724 HA LEU 96 HA LEU 96 -1.244 57.522 70.696 725 HG LEU 96 HG LEU 96 -0.933 54.239 69.840 726 HB2 LEU 96 HB2 LEU 96 -0.755 55.988 68.167 727 HB3 LEU 96 HB3 LEU 96 0.404 56.859 69.168 728 HD11 LEU 96 HD11 LEU 96 0.875 54.211 68.103 729 HD12 LEU 96 HD12 LEU 96 1.207 53.248 69.543 730 HD13 LEU 96 HD13 LEU 96 1.977 54.822 69.337 731 HD21 LEU 96 HD21 LEU 96 1.153 54.635 71.594 732 HD22 LEU 96 HD22 LEU 96 -0.562 54.825 71.961 733 HD23 LEU 96 HD23 LEU 96 0.400 56.227 71.495 734 H ARG 97 H ARG 97 -2.723 56.615 67.576 735 HA ARG 97 HA ARG 97 -2.501 59.259 66.524 736 HE ARG 97 HE ARG 97 -4.150 55.597 63.136 737 HB2 ARG 97 HB2 ARG 97 -4.039 58.319 64.725 738 HB3 ARG 97 HB3 ARG 97 -2.483 57.526 64.927 739 HG2 ARG 97 HG2 ARG 97 -4.318 56.213 66.627 740 HG3 ARG 97 HG3 ARG 97 -5.092 56.403 65.051 741 HD2 ARG 97 HD2 ARG 97 -2.279 55.392 65.290 742 HD3 ARG 97 HD3 ARG 97 -3.655 54.307 65.480 743 HH11 ARG 97 HH11 ARG 97 -1.474 53.758 64.392 744 HH12 ARG 97 HH12 ARG 97 -0.977 53.173 62.839 745 HH21 ARG 97 HH21 ARG 97 -3.505 54.834 61.085 746 HH22 ARG 97 HH22 ARG 97 -2.132 53.787 60.958 747 H GLU 98 H GLU 98 -5.143 57.350 67.906 748 HA GLU 98 HA GLU 98 -7.214 59.183 67.427 749 HB2 GLU 98 HB2 GLU 98 -7.753 56.932 68.048 750 HB3 GLU 98 HB3 GLU 98 -6.868 57.077 69.560 751 HG2 GLU 98 HG2 GLU 98 -9.025 57.297 70.282 752 HG3 GLU 98 HG3 GLU 98 -8.570 58.984 70.052 753 H ARG 99 H ARG 99 -5.262 58.668 70.364 754 HA ARG 99 HA ARG 99 -6.207 61.247 71.390 755 HE ARG 99 HE ARG 99 -6.927 59.664 75.850 756 HB2 ARG 99 HB2 ARG 99 -6.298 59.112 72.786 757 HB3 ARG 99 HB3 ARG 99 -4.546 59.221 72.880 758 HG2 ARG 99 HG2 ARG 99 -5.121 60.279 74.813 759 HG3 ARG 99 HG3 ARG 99 -5.069 61.658 73.714 760 HD2 ARG 99 HD2 ARG 99 -7.149 62.113 74.367 761 HD3 ARG 99 HD3 ARG 99 -7.649 60.689 73.455 762 HH11 ARG 99 HH11 ARG 99 -9.059 62.245 74.898 763 HH12 ARG 99 HH12 ARG 99 -10.121 62.043 76.252 764 HH21 ARG 99 HH21 ARG 99 -8.317 59.387 77.637 765 HH22 ARG 99 HH22 ARG 99 -9.698 60.417 77.809 766 H PHE 100 H PHE 100 -4.105 60.745 69.266 767 HA PHE 100 HA PHE 100 -1.537 61.232 70.144 768 HD1 PHE 100 HD1 PHE 100 -4.637 62.555 67.762 769 HD2 PHE 100 HD2 PHE 100 -0.625 63.733 66.967 770 HE1 PHE 100 HE1 PHE 100 -5.460 64.565 66.608 771 HE2 PHE 100 HE2 PHE 100 -1.442 65.746 65.813 772 HZ PHE 100 HZ PHE 100 -3.862 66.165 65.633 773 HB2 PHE 100 HB2 PHE 100 -1.016 61.697 67.958 774 HB3 PHE 100 HB3 PHE 100 -2.580 60.924 67.724 775 H ALA 101 H ALA 101 -4.176 63.517 69.662 776 HA ALA 101 HA ALA 101 -2.874 65.930 69.845 777 HB1 ALA 101 HB1 ALA 101 -4.920 66.852 70.132 778 HB2 ALA 101 HB2 ALA 101 -5.454 65.224 69.712 779 HB3 ALA 101 HB3 ALA 101 -5.375 65.718 71.404 780 H GLY 102 H GLY 102 -3.559 63.626 72.394 781 HA2 GLY 102 HA2 GLY 102 -2.777 65.456 74.500 782 HA3 GLY 102 HA3 GLY 102 -3.215 63.765 74.693 783 H LEU 103 H LEU 103 -1.589 62.164 73.915 784 HA LEU 103 HA LEU 103 0.781 62.313 75.222 785 HG LEU 103 HG LEU 103 -0.679 61.481 72.003 786 HB2 LEU 103 HB2 LEU 103 1.653 60.637 73.588 787 HB3 LEU 103 HB3 LEU 103 0.086 60.245 74.295 788 HD11 LEU 103 HD11 LEU 103 0.727 61.139 70.245 789 HD12 LEU 103 HD12 LEU 103 1.537 59.772 71.010 790 HD13 LEU 103 HD13 LEU 103 1.918 61.419 71.516 791 HD21 LEU 103 HD21 LEU 103 -1.474 59.422 71.386 792 HD22 LEU 103 HD22 LEU 103 -1.147 59.141 73.097 793 HD23 LEU 103 HD23 LEU 103 -0.003 58.582 71.877 794 H ASP 104 H ASP 104 0.006 63.761 72.152 795 HA ASP 104 HA ASP 104 2.415 64.229 70.975 796 HB2 ASP 104 HB2 ASP 104 -0.152 65.656 71.080 797 HB3 ASP 104 HB3 ASP 104 1.222 66.680 70.673 798 H THR 105 H THR 105 1.074 65.908 73.774 799 HA THR 105 HA THR 105 2.578 68.065 74.180 800 HB THR 105 HB THR 105 1.130 67.460 75.940 801 HG1 THR 105 HG1 THR 105 2.467 68.259 77.363 802 HG21 THR 105 HG21 THR 105 0.820 65.353 76.596 803 HG22 THR 105 HG22 THR 105 2.482 65.251 77.177 804 HG23 THR 105 HG23 THR 105 2.108 64.856 75.499 805 H ILE 106 H ILE 106 3.769 64.757 74.501 806 HA ILE 106 HA ILE 106 6.502 65.839 74.728 807 HB ILE 106 HB ILE 106 7.150 63.764 75.851 808 HG12 ILE 106 HG12 ILE 106 4.997 62.461 76.744 809 HG13 ILE 106 HG13 ILE 106 4.329 63.043 75.224 810 HG21 ILE 106 HG21 ILE 106 4.771 65.043 77.191 811 HG22 ILE 106 HG22 ILE 106 6.097 64.190 77.980 812 HG23 ILE 106 HG23 ILE 106 6.399 65.720 77.158 813 HD11 ILE 106 HD11 ILE 106 6.551 62.050 74.245 814 HD12 ILE 106 HD12 ILE 106 6.500 61.080 75.717 815 HD13 ILE 106 HD13 ILE 106 5.156 61.023 74.576 Start of MODEL 15 1 H LYS 1 H LYS 1 27.225 77.322 56.219 2 HA LYS 1 HA LYS 1 25.891 76.682 58.700 3 HB2 LYS 1 HB2 LYS 1 25.425 76.244 55.896 4 HB3 LYS 1 HB3 LYS 1 25.316 74.714 56.757 5 HG2 LYS 1 HG2 LYS 1 23.151 75.461 56.865 6 HG3 LYS 1 HG3 LYS 1 23.801 76.058 58.393 7 HD2 LYS 1 HD2 LYS 1 24.078 77.858 56.069 8 HD3 LYS 1 HD3 LYS 1 22.434 77.592 56.653 9 HE2 LYS 1 HE2 LYS 1 23.116 78.261 58.898 10 HE3 LYS 1 HE3 LYS 1 24.771 78.496 58.335 11 HZ1 LYS 1 HZ1 LYS 1 22.370 80.099 57.734 12 HZ2 LYS 1 HZ2 LYS 1 23.698 80.121 56.685 13 HZ3 LYS 1 HZ3 LYS 1 23.881 80.614 58.292 14 H GLN 2 H GLN 2 26.435 75.131 60.093 15 HA GLN 2 HA GLN 2 28.549 73.244 59.297 16 HB2 GLN 2 HB2 GLN 2 27.845 74.405 61.991 17 HB3 GLN 2 HB3 GLN 2 28.950 73.053 61.791 18 HG2 GLN 2 HG2 GLN 2 29.464 75.522 60.227 19 HG3 GLN 2 HG3 GLN 2 29.803 75.540 61.957 20 HE21 GLN 2 HE21 GLN 2 30.982 74.774 58.927 21 HE22 GLN 2 HE22 GLN 2 32.348 73.831 59.406 22 H GLN 3 H GLN 3 28.477 71.211 60.814 23 HA GLN 3 HA GLN 3 25.716 70.194 60.728 24 HB2 GLN 3 HB2 GLN 3 28.338 68.993 60.028 25 HB3 GLN 3 HB3 GLN 3 27.161 67.933 60.792 26 HG2 GLN 3 HG2 GLN 3 27.035 67.789 58.373 27 HG3 GLN 3 HG3 GLN 3 25.545 68.448 59.047 28 HE21 GLN 3 HE21 GLN 3 24.815 70.318 58.284 29 HE22 GLN 3 HE22 GLN 3 25.684 71.378 57.232 30 H LEU 4 H LEU 4 24.893 69.057 62.456 31 HA LEU 4 HA LEU 4 26.164 69.573 65.001 32 HG LEU 4 HG LEU 4 22.697 70.063 66.010 33 HB2 LEU 4 HB2 LEU 4 23.500 68.886 64.041 34 HB3 LEU 4 HB3 LEU 4 23.942 68.030 65.515 35 HD11 LEU 4 HD11 LEU 4 24.229 71.033 67.620 36 HD12 LEU 4 HD12 LEU 4 25.599 70.301 66.787 37 HD13 LEU 4 HD13 LEU 4 24.406 69.278 67.586 38 HD21 LEU 4 HD21 LEU 4 24.103 72.239 65.600 39 HD22 LEU 4 HD22 LEU 4 23.051 71.594 64.339 40 HD23 LEU 4 HD23 LEU 4 24.787 71.293 64.277 41 H GLN 5 H GLN 5 26.710 67.993 66.547 42 HA GLN 5 HA GLN 5 28.090 65.767 65.585 43 HB2 GLN 5 HB2 GLN 5 27.153 66.596 68.311 44 HB3 GLN 5 HB3 GLN 5 27.916 65.029 68.078 45 HG2 GLN 5 HG2 GLN 5 29.889 66.157 67.133 46 HG3 GLN 5 HG3 GLN 5 29.126 67.713 67.458 47 HE21 GLN 5 HE21 GLN 5 30.883 68.267 68.794 48 HE22 GLN 5 HE22 GLN 5 31.030 67.628 70.392 49 H GLU 6 H GLU 6 27.653 63.576 65.543 50 HA GLU 6 HA GLU 6 25.214 62.458 66.499 51 HB2 GLU 6 HB2 GLU 6 24.201 61.890 64.354 52 HB3 GLU 6 HB3 GLU 6 24.330 63.635 64.533 53 HG2 GLU 6 HG2 GLU 6 25.772 63.842 62.821 54 HG3 GLU 6 HG3 GLU 6 26.590 62.323 63.182 55 H HIS 7 H HIS 7 25.039 60.155 66.028 56 HA HIS 7 HA HIS 7 27.687 58.963 65.738 57 HD1 HIS 7 HD1 HIS 7 24.868 59.266 68.811 58 HD2 HIS 7 HD2 HIS 7 28.628 57.563 68.340 59 HE1 HIS 7 HE1 HIS 7 26.077 59.699 70.973 60 HB2 HIS 7 HB2 HIS 7 25.053 57.863 66.725 61 HB3 HIS 7 HB3 HIS 7 26.499 56.878 66.535 62 H ALA 8 H ALA 8 28.295 58.356 63.774 63 HA ALA 8 HA ALA 8 26.473 57.952 61.625 64 HB1 ALA 8 HB1 ALA 8 29.308 58.193 61.960 65 HB2 ALA 8 HB2 ALA 8 28.943 56.809 60.928 66 HB3 ALA 8 HB3 ALA 8 28.334 58.410 60.506 67 HA PRO 9 HA PRO 9 27.666 53.294 62.008 68 HB2 PRO 9 HB2 PRO 9 29.139 52.542 64.161 69 HB3 PRO 9 HB3 PRO 9 29.864 53.069 62.637 70 HG2 PRO 9 HG2 PRO 9 29.437 54.613 65.165 71 HG3 PRO 9 HG3 PRO 9 30.854 54.579 64.100 72 HD2 PRO 9 HD2 PRO 9 29.033 56.582 64.037 73 HD3 PRO 9 HD3 PRO 9 29.913 56.047 62.592 74 H SER 10 H SER 10 26.402 55.307 64.351 75 HA SER 10 HA SER 10 24.983 53.072 65.650 76 HG SER 10 HG SER 10 24.930 54.364 68.744 77 HB2 SER 10 HB2 SER 10 26.561 54.899 66.924 78 HB3 SER 10 HB3 SER 10 24.979 55.669 67.048 79 H HIS 11 H HIS 11 22.954 52.919 64.990 80 HA HIS 11 HA HIS 11 21.586 55.295 63.964 81 HD1 HIS 11 HD1 HIS 11 19.246 52.805 61.177 82 HD2 HIS 11 HD2 HIS 11 22.315 55.520 61.858 83 HE1 HIS 11 HE1 HIS 11 19.468 54.117 59.043 84 HB2 HIS 11 HB2 HIS 11 21.561 52.489 63.301 85 HB3 HIS 11 HB3 HIS 11 19.928 53.039 63.665 86 H ALA 12 H ALA 12 19.872 56.205 64.945 87 HA ALA 12 HA ALA 12 19.145 55.199 67.584 88 HB1 ALA 12 HB1 ALA 12 17.801 57.634 66.791 89 HB2 ALA 12 HB2 ALA 12 18.886 57.335 68.149 90 HB3 ALA 12 HB3 ALA 12 19.547 57.750 66.567 91 H ASN 13 H ASN 13 17.711 55.840 64.435 92 HA ASN 13 HA ASN 13 15.018 55.556 65.059 93 HB2 ASN 13 HB2 ASN 13 16.239 54.497 62.513 94 HB3 ASN 13 HB3 ASN 13 14.640 55.197 62.746 95 HD21 ASN 13 HD21 ASN 13 14.382 57.379 62.697 96 HD22 ASN 13 HD22 ASN 13 15.650 58.482 62.288 97 H LEU 14 H LEU 14 17.187 53.022 63.785 98 HA LEU 14 HA LEU 14 15.320 50.995 64.779 99 HG LEU 14 HG LEU 14 14.705 50.842 62.484 100 HB2 LEU 14 HB2 LEU 14 17.638 50.860 62.865 101 HB3 LEU 14 HB3 LEU 14 16.781 49.434 63.446 102 HD11 LEU 14 HD11 LEU 14 17.106 52.029 61.315 103 HD12 LEU 14 HD12 LEU 14 15.452 52.636 61.379 104 HD13 LEU 14 HD13 LEU 14 15.921 51.486 60.128 105 HD21 LEU 14 HD21 LEU 14 15.136 48.563 61.903 106 HD22 LEU 14 HD22 LEU 14 16.572 49.014 60.983 107 HD23 LEU 14 HD23 LEU 14 14.973 49.483 60.406 108 H ASP 15 H ASP 15 17.464 52.639 66.282 109 HA ASP 15 HA ASP 15 19.598 51.216 67.153 110 HB2 ASP 15 HB2 ASP 15 18.257 53.451 68.049 111 HB3 ASP 15 HB3 ASP 15 18.104 52.341 69.408 112 H VAL 16 H VAL 16 16.313 50.919 68.505 113 HA VAL 16 HA VAL 16 16.956 48.769 70.235 114 HB VAL 16 HB VAL 16 14.511 48.448 70.433 115 HG11 VAL 16 HG11 VAL 16 15.606 51.241 70.638 116 HG12 VAL 16 HG12 VAL 16 14.010 50.793 71.245 117 HG13 VAL 16 HG13 VAL 16 15.455 50.031 71.911 118 HG21 VAL 16 HG21 VAL 16 13.019 50.043 69.254 119 HG22 VAL 16 HG22 VAL 16 14.400 50.569 68.292 120 HG23 VAL 16 HG23 VAL 16 13.822 48.907 68.171 121 H LYS 17 H LYS 17 15.488 46.685 70.010 122 HA LYS 17 HA LYS 17 16.110 45.553 67.368 123 HB2 LYS 17 HB2 LYS 17 15.697 44.173 70.027 124 HB3 LYS 17 HB3 LYS 17 16.044 43.356 68.510 125 HG2 LYS 17 HG2 LYS 17 18.233 43.899 68.557 126 HG3 LYS 17 HG3 LYS 17 17.940 45.468 69.313 127 HD2 LYS 17 HD2 LYS 17 18.501 44.624 71.291 128 HD3 LYS 17 HD3 LYS 17 17.202 43.436 71.163 129 HE2 LYS 17 HE2 LYS 17 18.904 41.961 71.259 130 HE3 LYS 17 HE3 LYS 17 19.035 42.316 69.537 131 HZ1 LYS 17 HZ1 LYS 17 21.128 42.445 71.005 132 HZ2 LYS 17 HZ2 LYS 17 20.512 43.941 71.501 133 HZ3 LYS 17 HZ3 LYS 17 20.858 43.668 69.868 134 H TRP 18 H TRP 18 14.604 43.502 66.994 135 HA TRP 18 HA TRP 18 12.094 44.441 66.297 136 HD1 TRP 18 HD1 TRP 18 15.331 41.933 65.883 137 HE1 TRP 18 HE1 TRP 18 16.141 42.044 63.443 138 HE3 TRP 18 HE3 TRP 18 10.857 42.845 63.584 139 HZ2 TRP 18 HZ2 TRP 18 15.031 42.463 60.882 140 HZ3 TRP 18 HZ3 TRP 18 10.818 43.089 61.135 141 HH2 TRP 18 HH2 TRP 18 12.862 42.902 59.815 142 HB2 TRP 18 HB2 TRP 18 12.819 41.564 66.892 143 HB3 TRP 18 HB3 TRP 18 11.483 42.120 65.888 144 H LEU 19 H LEU 19 9.979 43.404 67.073 145 HA LEU 19 HA LEU 19 9.443 44.265 69.674 146 HG LEU 19 HG LEU 19 6.112 44.259 68.213 147 HB2 LEU 19 HB2 LEU 19 8.004 42.995 67.512 148 HB3 LEU 19 HB3 LEU 19 7.486 42.374 69.078 149 HD11 LEU 19 HD11 LEU 19 5.669 44.946 70.309 150 HD12 LEU 19 HD12 LEU 19 7.347 45.377 70.639 151 HD13 LEU 19 HD13 LEU 19 6.832 43.694 70.748 152 HD21 LEU 19 HD21 LEU 19 7.132 46.017 67.322 153 HD22 LEU 19 HD22 LEU 19 8.704 45.440 67.876 154 HD23 LEU 19 HD23 LEU 19 7.713 46.447 68.931 155 H ASP 20 H ASP 20 9.763 43.375 71.601 156 HA ASP 20 HA ASP 20 10.362 41.888 73.218 157 HB2 ASP 20 HB2 ASP 20 8.139 40.873 71.970 158 HB3 ASP 20 HB3 ASP 20 9.263 39.521 71.872 159 H GLY 21 H GLY 21 12.378 42.384 71.424 160 HA2 GLY 21 HA2 GLY 21 13.719 39.759 71.328 161 HA3 GLY 21 HA3 GLY 21 13.806 40.860 69.961 162 H LEU 22 H LEU 22 13.914 41.836 73.337 163 HA LEU 22 HA LEU 22 16.720 42.644 72.934 164 HG LEU 22 HG LEU 22 16.012 44.806 72.019 165 HB2 LEU 22 HB2 LEU 22 14.536 44.004 74.500 166 HB3 LEU 22 HB3 LEU 22 16.235 44.465 74.574 167 HD11 LEU 22 HD11 LEU 22 13.527 43.786 72.407 168 HD12 LEU 22 HD12 LEU 22 13.990 44.811 71.048 169 HD13 LEU 22 HD13 LEU 22 13.201 45.519 72.456 170 HD21 LEU 22 HD21 LEU 22 15.562 47.074 72.353 171 HD22 LEU 22 HD22 LEU 22 16.217 46.533 73.900 172 HD23 LEU 22 HD23 LEU 22 14.478 46.754 73.709 173 H ARG 23 H ARG 23 18.045 41.429 74.099 174 HA ARG 23 HA ARG 23 17.131 40.473 76.731 175 HE ARG 23 HE ARG 23 17.549 35.109 76.909 176 HB2 ARG 23 HB2 ARG 23 17.863 38.890 74.709 177 HB3 ARG 23 HB3 ARG 23 19.457 39.204 75.380 178 HG2 ARG 23 HG2 ARG 23 18.700 38.378 77.557 179 HG3 ARG 23 HG3 ARG 23 17.110 38.045 76.867 180 HD2 ARG 23 HD2 ARG 23 18.209 36.522 75.233 181 HD3 ARG 23 HD3 ARG 23 19.732 36.779 76.084 182 HH11 ARG 23 HH11 ARG 23 20.287 36.968 77.991 183 HH12 ARG 23 HH12 ARG 23 20.493 36.057 79.450 184 HH21 ARG 23 HH21 ARG 23 17.811 33.903 78.827 185 HH22 ARG 23 HH22 ARG 23 19.086 34.313 79.925 186 H ALA 24 H ALA 24 19.758 41.968 74.947 187 HA ALA 24 HA ALA 24 21.702 42.022 76.956 188 HB1 ALA 24 HB1 ALA 24 22.368 44.219 75.660 189 HB2 ALA 24 HB2 ALA 24 22.573 42.626 74.931 190 HB3 ALA 24 HB3 ALA 24 21.180 43.620 74.503 191 H GLY 25 H GLY 25 19.515 44.683 75.995 192 HA2 GLY 25 HA2 GLY 25 19.791 45.736 78.741 193 HA3 GLY 25 HA3 GLY 25 19.532 46.741 77.323 194 H SER 26 H SER 26 17.458 46.533 76.208 195 HA SER 26 HA SER 26 15.182 46.504 76.162 196 HG SER 26 HG SER 26 13.530 45.118 76.229 197 HB2 SER 26 HB2 SER 26 15.650 44.043 76.789 198 HB3 SER 26 HB3 SER 26 15.189 44.515 78.424 199 H MET 27 H MET 27 16.425 48.486 77.654 200 HA MET 27 HA MET 27 15.066 48.734 80.196 201 HB2 MET 27 HB2 MET 27 16.751 50.766 78.724 202 HB3 MET 27 HB3 MET 27 16.258 50.843 80.410 203 HG2 MET 27 HG2 MET 27 18.338 50.026 80.712 204 HG3 MET 27 HG3 MET 27 17.499 48.496 80.471 205 HE1 MET 27 HE1 MET 27 20.072 50.717 77.395 206 HE2 MET 27 HE2 MET 27 18.333 51.005 77.327 207 HE3 MET 27 HE3 MET 27 19.237 51.404 78.789 208 H ALA 28 H ALA 28 13.782 48.804 77.353 209 HA ALA 28 HA ALA 28 12.178 51.233 77.821 210 HB1 ALA 28 HB1 ALA 28 12.064 51.671 75.586 211 HB2 ALA 28 HB2 ALA 28 13.648 50.899 75.650 212 HB3 ALA 28 HB3 ALA 28 12.237 49.977 75.130 213 H LEU 29 H LEU 29 10.367 50.599 78.817 214 HA LEU 29 HA LEU 29 9.160 48.032 78.287 215 HG LEU 29 HG LEU 29 7.442 48.322 81.502 216 HB2 LEU 29 HB2 LEU 29 9.250 49.515 80.491 217 HB3 LEU 29 HB3 LEU 29 7.735 50.129 79.832 218 HD11 LEU 29 HD11 LEU 29 5.793 47.090 80.250 219 HD12 LEU 29 HD12 LEU 29 6.546 47.563 78.726 220 HD13 LEU 29 HD13 LEU 29 5.770 48.778 79.741 221 HD21 LEU 29 HD21 LEU 29 9.504 47.097 80.039 222 HD22 LEU 29 HD22 LEU 29 8.063 46.111 79.792 223 HD23 LEU 29 HD23 LEU 29 8.629 46.450 81.427 224 H GLN 30 H GLN 30 8.248 51.437 77.820 225 HA GLN 30 HA GLN 30 6.089 50.558 76.033 226 HB2 GLN 30 HB2 GLN 30 6.568 53.154 77.491 227 HB3 GLN 30 HB3 GLN 30 5.336 52.973 76.249 228 HG2 GLN 30 HG2 GLN 30 4.242 51.245 77.564 229 HG3 GLN 30 HG3 GLN 30 5.489 51.387 78.802 230 HE21 GLN 30 HE21 GLN 30 5.238 52.843 80.367 231 HE22 GLN 30 HE22 GLN 30 3.996 54.043 80.422 232 H GLY 31 H GLY 31 9.198 51.920 76.044 233 HA2 GLY 31 HA2 GLY 31 9.278 53.717 73.984 234 HA3 GLY 31 HA3 GLY 31 10.554 52.550 74.293 235 H ASP 32 H ASP 32 8.440 50.391 73.766 236 HA ASP 32 HA ASP 32 9.139 49.914 71.071 237 HB2 ASP 32 HB2 ASP 32 7.641 48.559 73.161 238 HB3 ASP 32 HB3 ASP 32 6.892 48.348 71.581 239 H VAL 33 H VAL 33 5.944 50.631 72.491 240 HA VAL 33 HA VAL 33 4.855 51.243 69.883 241 HB VAL 33 HB VAL 33 3.588 51.512 72.612 242 HG11 VAL 33 HG11 VAL 33 1.922 52.554 71.579 243 HG12 VAL 33 HG12 VAL 33 2.747 52.397 70.027 244 HG13 VAL 33 HG13 VAL 33 1.669 51.119 70.587 245 HG21 VAL 33 HG21 VAL 33 3.473 49.297 70.569 246 HG22 VAL 33 HG22 VAL 33 4.142 49.213 72.199 247 HG23 VAL 33 HG23 VAL 33 2.406 49.417 71.968 248 H LYS 34 H LYS 34 6.022 52.973 72.686 249 HA LYS 34 HA LYS 34 4.932 55.482 72.304 250 HB2 LYS 34 HB2 LYS 34 6.196 55.126 74.268 251 HB3 LYS 34 HB3 LYS 34 7.611 54.608 73.362 252 HG2 LYS 34 HG2 LYS 34 8.309 56.721 72.973 253 HG3 LYS 34 HG3 LYS 34 6.667 57.360 72.858 254 HD2 LYS 34 HD2 LYS 34 6.620 57.919 75.027 255 HD3 LYS 34 HD3 LYS 34 7.342 56.387 75.526 256 HE2 LYS 34 HE2 LYS 34 9.553 57.280 74.784 257 HE3 LYS 34 HE3 LYS 34 8.774 58.836 74.502 258 HZ1 LYS 34 HZ1 LYS 34 9.915 58.102 76.816 259 HZ2 LYS 34 HZ2 LYS 34 8.297 57.710 77.118 260 HZ3 LYS 34 HZ3 LYS 34 8.717 59.289 76.678 261 H VAL 35 H VAL 35 7.486 53.890 70.537 262 HA VAL 35 HA VAL 35 8.188 56.313 69.088 263 HB VAL 35 HB VAL 35 9.894 55.018 68.004 264 HG11 VAL 35 HG11 VAL 35 9.596 54.659 70.954 265 HG12 VAL 35 HG12 VAL 35 10.971 53.936 70.117 266 HG13 VAL 35 HG13 VAL 35 10.717 55.681 70.055 267 HG21 VAL 35 HG21 VAL 35 10.084 52.687 68.055 268 HG22 VAL 35 HG22 VAL 35 8.960 52.535 69.406 269 HG23 VAL 35 HG23 VAL 35 8.362 52.970 67.805 270 H TRP 36 H TRP 36 6.324 53.398 68.659 271 HA TRP 36 HA TRP 36 6.076 53.107 65.971 272 HD1 TRP 36 HD1 TRP 36 7.063 51.464 67.130 273 HE1 TRP 36 HE1 TRP 36 7.167 48.944 67.643 274 HE3 TRP 36 HE3 TRP 36 2.082 50.579 67.872 275 HZ2 TRP 36 HZ2 TRP 36 5.375 46.858 68.276 276 HZ3 TRP 36 HZ3 TRP 36 1.361 48.294 68.427 277 HH2 TRP 36 HH2 TRP 36 2.975 46.472 68.624 278 HB2 TRP 36 HB2 TRP 36 3.973 52.935 68.123 279 HB3 TRP 36 HB3 TRP 36 3.625 52.525 66.447 280 H MET 37 H MET 37 4.977 55.785 67.873 281 HA MET 37 HA MET 37 3.273 56.844 65.785 282 HB2 MET 37 HB2 MET 37 3.021 58.778 67.333 283 HB3 MET 37 HB3 MET 37 2.591 57.237 68.061 284 HG2 MET 37 HG2 MET 37 5.251 57.484 68.684 285 HG3 MET 37 HG3 MET 37 4.661 59.140 68.793 286 HE1 MET 37 HE1 MET 37 1.915 56.167 70.048 287 HE2 MET 37 HE2 MET 37 3.412 55.691 69.245 288 HE3 MET 37 HE3 MET 37 3.234 55.461 70.984 289 H GLN 38 H GLN 38 6.443 57.527 67.189 290 HA GLN 38 HA GLN 38 6.924 59.849 65.609 291 HB2 GLN 38 HB2 GLN 38 9.039 59.917 66.596 292 HB3 GLN 38 HB3 GLN 38 8.041 59.153 67.826 293 HG2 GLN 38 HG2 GLN 38 8.931 57.025 67.379 294 HG3 GLN 38 HG3 GLN 38 9.659 57.561 65.866 295 HE21 GLN 38 HE21 GLN 38 11.752 57.897 65.938 296 HE22 GLN 38 HE22 GLN 38 12.674 58.317 67.338 297 H ASN 39 H ASN 39 7.345 56.440 65.133 298 HA ASN 39 HA ASN 39 9.279 56.506 63.086 299 HB2 ASN 39 HB2 ASN 39 7.812 54.535 64.431 300 HB3 ASN 39 HB3 ASN 39 7.364 54.358 62.737 301 HD21 ASN 39 HD21 ASN 39 8.729 52.388 64.061 302 HD22 ASN 39 HD22 ASN 39 10.334 52.274 63.433 303 H LEU 40 H LEU 40 5.760 56.742 63.037 304 HA LEU 40 HA LEU 40 5.649 56.809 60.152 305 HG LEU 40 HG LEU 40 3.996 56.198 63.340 306 HB2 LEU 40 HB2 LEU 40 3.298 57.752 61.608 307 HB3 LEU 40 HB3 LEU 40 3.446 56.491 60.387 308 HD11 LEU 40 HD11 LEU 40 1.590 56.137 61.926 309 HD12 LEU 40 HD12 LEU 40 1.881 55.568 63.569 310 HD13 LEU 40 HD13 LEU 40 2.011 54.448 62.212 311 HD21 LEU 40 HD21 LEU 40 5.417 54.852 61.656 312 HD22 LEU 40 HD22 LEU 40 3.926 53.963 61.347 313 HD23 LEU 40 HD23 LEU 40 4.616 53.989 62.970 314 H GLU 41 H GLU 41 5.625 59.092 62.807 315 HA GLU 41 HA GLU 41 4.647 61.376 61.659 316 HB2 GLU 41 HB2 GLU 41 5.887 60.829 63.996 317 HB3 GLU 41 HB3 GLU 41 7.160 61.728 63.184 318 HG2 GLU 41 HG2 GLU 41 4.617 63.055 62.904 319 HG3 GLU 41 HG3 GLU 41 5.006 62.765 64.599 320 H ASP 42 H ASP 42 7.823 59.923 61.197 321 HA ASP 42 HA ASP 42 8.747 62.091 59.525 322 HB2 ASP 42 HB2 ASP 42 10.145 60.502 61.068 323 HB3 ASP 42 HB3 ASP 42 10.105 59.422 59.676 324 H LEU 43 H LEU 43 8.282 58.596 58.961 325 HA LEU 43 HA LEU 43 8.476 58.698 56.181 326 HG LEU 43 HG LEU 43 8.173 56.481 55.112 327 HB2 LEU 43 HB2 LEU 43 8.045 56.746 58.104 328 HB3 LEU 43 HB3 LEU 43 6.597 56.688 57.100 329 HD11 LEU 43 HD11 LEU 43 10.155 55.668 57.223 330 HD12 LEU 43 HD12 LEU 43 10.174 57.242 56.429 331 HD13 LEU 43 HD13 LEU 43 10.405 55.774 55.481 332 HD21 LEU 43 HD21 LEU 43 6.857 54.619 56.022 333 HD22 LEU 43 HD22 LEU 43 8.158 54.265 57.159 334 HD23 LEU 43 HD23 LEU 43 8.429 54.084 55.426 335 H HIS 44 H HIS 44 5.507 58.497 58.152 336 HA HIS 44 HA HIS 44 3.582 58.652 56.254 337 HD1 HIS 44 HD1 HIS 44 0.937 58.565 59.624 338 HD2 HIS 44 HD2 HIS 44 1.411 60.432 55.943 339 HE1 HIS 44 HE1 HIS 44 -1.385 58.810 58.690 340 HB2 HIS 44 HB2 HIS 44 3.363 58.654 58.828 341 HB3 HIS 44 HB3 HIS 44 3.397 60.410 58.690 342 H THR 45 H THR 45 5.431 61.389 57.538 343 HA THR 45 HA THR 45 4.171 63.511 56.356 344 HB THR 45 HB THR 45 7.151 63.102 56.668 345 HG1 THR 45 HG1 THR 45 6.717 63.503 58.691 346 HG21 THR 45 HG21 THR 45 5.739 65.746 56.424 347 HG22 THR 45 HG22 THR 45 6.399 64.907 55.021 348 HG23 THR 45 HG23 THR 45 7.468 65.410 56.331 349 H ARG 46 H ARG 46 6.498 61.299 54.869 350 HA ARG 46 HA ARG 46 6.302 62.680 52.318 351 HE ARG 46 HE ARG 46 9.530 63.915 50.389 352 HB2 ARG 46 HB2 ARG 46 8.111 60.732 53.540 353 HB3 ARG 46 HB3 ARG 46 7.731 60.365 51.862 354 HG2 ARG 46 HG2 ARG 46 8.307 63.152 52.111 355 HG3 ARG 46 HG3 ARG 46 9.601 62.209 52.853 356 HD2 ARG 46 HD2 ARG 46 10.129 61.134 50.873 357 HD3 ARG 46 HD3 ARG 46 8.539 61.434 50.170 358 HH11 ARG 46 HH11 ARG 46 10.881 60.975 49.102 359 HH12 ARG 46 HH12 ARG 46 11.869 61.787 47.933 360 HH21 ARG 46 HH21 ARG 46 10.828 64.995 48.855 361 HH22 ARG 46 HH22 ARG 46 11.838 64.074 47.794 362 H ARG 47 H ARG 47 6.050 59.233 53.200 363 HA ARG 47 HA ARG 47 3.712 59.041 51.420 364 HE ARG 47 HE ARG 47 5.680 57.558 48.005 365 HB2 ARG 47 HB2 ARG 47 5.679 58.086 50.306 366 HB3 ARG 47 HB3 ARG 47 5.952 57.029 51.685 367 HG2 ARG 47 HG2 ARG 47 4.217 55.644 51.147 368 HG3 ARG 47 HG3 ARG 47 3.318 56.913 50.313 369 HD2 ARG 47 HD2 ARG 47 5.862 55.656 49.293 370 HD3 ARG 47 HD3 ARG 47 4.240 55.179 48.794 371 HH11 ARG 47 HH11 ARG 47 2.593 55.961 48.217 372 HH12 ARG 47 HH12 ARG 47 1.861 56.926 46.979 373 HH21 ARG 47 HH21 ARG 47 4.727 58.837 46.373 374 HH22 ARG 47 HH22 ARG 47 3.076 58.561 45.930 375 HA PRO 48 HA PRO 48 1.899 57.423 55.149 376 HB2 PRO 48 HB2 PRO 48 -0.538 56.899 54.074 377 HB3 PRO 48 HB3 PRO 48 -0.011 58.528 54.513 378 HG2 PRO 48 HG2 PRO 48 -0.039 57.205 51.828 379 HG3 PRO 48 HG3 PRO 48 -0.516 58.856 52.267 380 HD2 PRO 48 HD2 PRO 48 1.879 58.281 51.142 381 HD3 PRO 48 HD3 PRO 48 1.662 59.611 52.297 382 H ASP 49 H ASP 49 1.140 55.767 52.076 383 HA ASP 49 HA ASP 49 0.459 53.293 52.973 384 HB2 ASP 49 HB2 ASP 49 0.575 54.060 50.573 385 HB3 ASP 49 HB3 ASP 49 2.302 53.720 50.617 386 H GLU 50 H GLU 50 3.621 54.735 53.016 387 HA GLU 50 HA GLU 50 4.915 52.220 53.707 388 HB2 GLU 50 HB2 GLU 50 5.821 54.329 52.299 389 HB3 GLU 50 HB3 GLU 50 6.406 54.775 53.896 390 HG2 GLU 50 HG2 GLU 50 7.585 52.654 54.072 391 HG3 GLU 50 HG3 GLU 50 6.981 52.179 52.485 392 H PHE 51 H PHE 51 3.673 55.075 55.225 393 HA PHE 51 HA PHE 51 5.045 55.269 57.577 394 HD1 PHE 51 HD1 PHE 51 2.687 54.633 59.936 395 HD2 PHE 51 HD2 PHE 51 0.523 55.747 56.444 396 HE1 PHE 51 HE1 PHE 51 0.645 53.640 60.888 397 HE2 PHE 51 HE2 PHE 51 -1.522 54.758 57.391 398 HZ PHE 51 HZ PHE 51 -1.462 53.704 59.616 399 HB2 PHE 51 HB2 PHE 51 3.350 56.605 58.241 400 HB3 PHE 51 HB3 PHE 51 2.725 56.342 56.616 401 H THR 52 H THR 52 2.634 52.860 56.704 402 HA THR 52 HA THR 52 2.597 51.659 59.321 403 HB THR 52 HB THR 52 1.042 50.107 58.473 404 HG1 THR 52 HG1 THR 52 1.558 49.231 56.619 405 HG21 THR 52 HG21 THR 52 0.802 52.882 57.581 406 HG22 THR 52 HG22 THR 52 -0.361 51.862 58.427 407 HG23 THR 52 HG23 THR 52 -0.207 51.756 56.673 408 H ALA 53 H ALA 53 4.473 51.342 56.452 409 HA ALA 53 HA ALA 53 5.358 48.664 56.841 410 HB1 ALA 53 HB1 ALA 53 6.838 49.037 55.063 411 HB2 ALA 53 HB2 ALA 53 5.436 50.041 54.693 412 HB3 ALA 53 HB3 ALA 53 6.895 50.774 55.359 413 H ARG 54 H ARG 54 6.161 51.658 58.299 414 HA ARG 54 HA ARG 54 8.841 51.089 59.042 415 HE ARG 54 HE ARG 54 11.556 52.521 60.159 416 HB2 ARG 54 HB2 ARG 54 7.421 53.331 59.078 417 HB3 ARG 54 HB3 ARG 54 7.124 52.839 60.740 418 HG2 ARG 54 HG2 ARG 54 8.981 54.280 60.806 419 HG3 ARG 54 HG3 ARG 54 9.627 52.650 61.001 420 HD2 ARG 54 HD2 ARG 54 9.567 53.143 58.238 421 HD3 ARG 54 HD3 ARG 54 10.200 54.610 58.981 422 HH11 ARG 54 HH11 ARG 54 11.129 53.771 56.938 423 HH12 ARG 54 HH12 ARG 54 12.684 53.243 56.387 424 HH21 ARG 54 HH21 ARG 54 13.606 51.821 59.446 425 HH22 ARG 54 HH22 ARG 54 14.092 52.133 57.814 426 H LEU 55 H LEU 55 5.964 51.261 61.148 427 HA LEU 55 HA LEU 55 7.227 49.725 63.199 428 HG LEU 55 HG LEU 55 3.141 50.921 63.532 429 HB2 LEU 55 HB2 LEU 55 5.223 49.981 64.423 430 HB3 LEU 55 HB3 LEU 55 5.486 51.491 63.556 431 HD11 LEU 55 HD11 LEU 55 4.155 51.995 61.542 432 HD12 LEU 55 HD12 LEU 55 2.722 51.037 61.170 433 HD13 LEU 55 HD13 LEU 55 4.326 50.400 60.811 434 HD21 LEU 55 HD21 LEU 55 3.412 48.550 61.829 435 HD22 LEU 55 HD22 LEU 55 2.304 48.873 63.163 436 HD23 LEU 55 HD23 LEU 55 3.945 48.321 63.495 437 H GLN 56 H GLN 56 5.447 48.958 60.383 438 HA GLN 56 HA GLN 56 4.179 46.584 61.089 439 HB2 GLN 56 HB2 GLN 56 3.612 47.341 58.976 440 HB3 GLN 56 HB3 GLN 56 5.280 47.674 58.533 441 HG2 GLN 56 HG2 GLN 56 5.565 45.650 57.658 442 HG3 GLN 56 HG3 GLN 56 4.792 44.853 59.028 443 HE21 GLN 56 HE21 GLN 56 2.392 45.013 59.082 444 HE22 GLN 56 HE22 GLN 56 1.549 44.884 57.580 445 H GLN 57 H GLN 57 7.538 47.228 60.315 446 HA GLN 57 HA GLN 57 8.324 44.501 60.084 447 HB2 GLN 57 HB2 GLN 57 9.715 47.124 60.266 448 HB3 GLN 57 HB3 GLN 57 10.646 45.684 60.660 449 HG2 GLN 57 HG2 GLN 57 10.300 44.765 58.501 450 HG3 GLN 57 HG3 GLN 57 9.107 45.999 58.100 451 HE21 GLN 57 HE21 GLN 57 10.677 46.057 56.219 452 HE22 GLN 57 HE22 GLN 57 11.975 47.189 56.338 453 H SER 58 H SER 58 8.143 46.802 62.728 454 HA SER 58 HA SER 58 9.510 45.069 64.585 455 HG SER 58 HG SER 58 10.126 48.425 65.360 456 HB2 SER 58 HB2 SER 58 8.038 47.686 64.895 457 HB3 SER 58 HB3 SER 58 8.710 46.809 66.269 458 H THR 59 H THR 59 6.204 46.411 64.506 459 HA THR 59 HA THR 59 5.064 44.906 66.492 460 HB THR 59 HB THR 59 4.001 46.753 65.034 461 HG1 THR 59 HG1 THR 59 1.941 45.979 65.632 462 HG21 THR 59 HG21 THR 59 4.259 45.507 62.898 463 HG22 THR 59 HG22 THR 59 2.598 46.008 63.216 464 HG23 THR 59 HG23 THR 59 3.080 44.333 63.482 465 H ASP 60 H ASP 60 6.133 43.844 63.398 466 HA ASP 60 HA ASP 60 4.569 41.656 62.845 467 HB2 ASP 60 HB2 ASP 60 7.134 42.612 62.059 468 HB3 ASP 60 HB3 ASP 60 7.281 40.890 62.400 469 H ALA 61 H ALA 61 7.410 41.761 64.982 470 HA ALA 61 HA ALA 61 7.475 39.091 65.733 471 HB1 ALA 61 HB1 ALA 61 8.808 41.424 66.472 472 HB2 ALA 61 HB2 ALA 61 8.115 40.797 67.969 473 HB3 ALA 61 HB3 ALA 61 9.173 39.778 66.991 474 H LEU 62 H LEU 62 5.529 41.743 67.015 475 HA LEU 62 HA LEU 62 4.465 40.355 69.229 476 HG LEU 62 HG LEU 62 2.316 41.688 70.228 477 HB2 LEU 62 HB2 LEU 62 4.388 42.908 68.410 478 HB3 LEU 62 HB3 LEU 62 2.786 42.389 67.891 479 HD11 LEU 62 HD11 LEU 62 5.125 42.223 70.509 480 HD12 LEU 62 HD12 LEU 62 4.014 41.442 71.633 481 HD13 LEU 62 HD13 LEU 62 4.194 43.196 71.647 482 HD21 LEU 62 HD21 LEU 62 1.644 43.895 69.325 483 HD22 LEU 62 HD22 LEU 62 3.139 44.577 69.965 484 HD23 LEU 62 HD23 LEU 62 1.932 43.913 71.066 485 H TYR 63 H TYR 63 3.199 40.893 65.952 486 HA TYR 63 HA TYR 63 0.746 39.662 66.180 487 HD1 TYR 63 HD1 TYR 63 -0.052 37.730 63.873 488 HD2 TYR 63 HD2 TYR 63 3.703 39.231 62.551 489 HE1 TYR 63 HE1 TYR 63 0.177 35.807 62.358 490 HE2 TYR 63 HE2 TYR 63 3.942 37.313 61.031 491 HH TYR 63 HH TYR 63 1.508 34.733 60.934 492 HB2 TYR 63 HB2 TYR 63 0.725 40.280 64.033 493 HB3 TYR 63 HB3 TYR 63 2.474 40.484 64.047 494 H SER 64 H SER 64 3.864 38.150 65.391 495 HA SER 64 HA SER 64 2.718 35.506 65.353 496 HG SER 64 HG SER 64 3.660 35.075 63.487 497 HB2 SER 64 HB2 SER 64 5.147 36.719 64.471 498 HB3 SER 64 HB3 SER 64 5.558 35.388 65.552 499 H HIS 65 H HIS 65 4.416 37.536 67.625 500 HA HIS 65 HA HIS 65 5.250 35.604 69.469 501 HD1 HIS 65 HD1 HIS 65 4.897 39.500 72.171 502 HD2 HIS 65 HD2 HIS 65 5.757 35.440 71.959 503 HE1 HIS 65 HE1 HIS 65 5.296 38.772 74.545 504 HB2 HIS 65 HB2 HIS 65 6.051 37.874 69.636 505 HB3 HIS 65 HB3 HIS 65 4.417 38.481 69.885 506 H LEU 66 H LEU 66 2.265 37.553 69.454 507 HA LEU 66 HA LEU 66 1.126 36.151 71.664 508 HG LEU 66 HG LEU 66 -1.462 36.495 71.670 509 HB2 LEU 66 HB2 LEU 66 0.569 38.488 71.043 510 HB3 LEU 66 HB3 LEU 66 -0.250 37.873 69.609 511 HD11 LEU 66 HD11 LEU 66 -0.865 37.637 73.526 512 HD12 LEU 66 HD12 LEU 66 -2.156 38.715 72.993 513 HD13 LEU 66 HD13 LEU 66 -0.475 39.108 72.632 514 HD21 LEU 66 HD21 LEU 66 -2.111 38.672 69.816 515 HD22 LEU 66 HD22 LEU 66 -3.142 38.590 71.246 516 HD23 LEU 66 HD23 LEU 66 -2.993 37.189 70.185 517 H GLU 67 H GLU 67 0.452 36.157 68.167 518 HA GLU 67 HA GLU 67 -1.570 34.248 68.155 519 HB2 GLU 67 HB2 GLU 67 -0.707 35.722 66.236 520 HB3 GLU 67 HB3 GLU 67 0.488 34.460 65.969 521 HG2 GLU 67 HG2 GLU 67 -2.418 33.782 66.082 522 HG3 GLU 67 HG3 GLU 67 -1.711 34.448 64.612 523 H ALA 68 H ALA 68 1.928 33.851 68.167 524 HA ALA 68 HA ALA 68 1.758 30.977 67.884 525 HB1 ALA 68 HB1 ALA 68 4.198 32.586 68.602 526 HB2 ALA 68 HB2 ALA 68 4.129 30.976 67.885 527 HB3 ALA 68 HB3 ALA 68 3.626 32.383 66.946 528 H GLN 69 H GLN 69 2.956 33.202 70.406 529 HA GLN 69 HA GLN 69 3.308 31.209 72.367 530 HB2 GLN 69 HB2 GLN 69 4.225 33.626 72.284 531 HB3 GLN 69 HB3 GLN 69 2.693 34.077 73.020 532 HG2 GLN 69 HG2 GLN 69 4.834 32.301 74.145 533 HG3 GLN 69 HG3 GLN 69 4.252 33.842 74.773 534 HE21 GLN 69 HE21 GLN 69 2.303 33.920 75.878 535 HE22 GLN 69 HE22 GLN 69 1.527 32.500 76.482 536 H TRP 70 H TRP 70 0.728 33.649 72.026 537 HA TRP 70 HA TRP 70 -0.876 32.682 74.113 538 HD1 TRP 70 HD1 TRP 70 -1.958 35.547 75.159 539 HE1 TRP 70 HE1 TRP 70 -4.335 35.534 76.145 540 HE3 TRP 70 HE3 TRP 70 -4.289 32.691 71.619 541 HZ2 TRP 70 HZ2 TRP 70 -6.864 34.455 75.508 542 HZ3 TRP 70 HZ3 TRP 70 -6.690 32.213 71.881 543 HH2 TRP 70 HH2 TRP 70 -7.948 33.077 73.786 544 HB2 TRP 70 HB2 TRP 70 -1.008 34.909 72.762 545 HB3 TRP 70 HB3 TRP 70 -2.057 33.992 71.683 546 H ALA 71 H ALA 71 -0.491 31.636 70.824 547 HA ALA 71 HA ALA 71 -2.813 30.309 70.256 548 HB1 ALA 71 HB1 ALA 71 -1.578 29.789 68.489 549 HB2 ALA 71 HB2 ALA 71 -0.099 30.193 69.361 550 HB3 ALA 71 HB3 ALA 71 -0.759 28.561 69.455 551 H LYS 72 H LYS 72 -0.236 29.292 72.429 552 HA LYS 72 HA LYS 72 -0.770 26.669 72.890 553 HB2 LYS 72 HB2 LYS 72 0.520 28.775 74.308 554 HB3 LYS 72 HB3 LYS 72 -0.466 27.879 75.456 555 HG2 LYS 72 HG2 LYS 72 1.628 26.844 75.511 556 HG3 LYS 72 HG3 LYS 72 0.623 25.783 74.522 557 HD2 LYS 72 HD2 LYS 72 2.615 25.931 73.318 558 HD3 LYS 72 HD3 LYS 72 1.563 27.105 72.524 559 HE2 LYS 72 HE2 LYS 72 2.775 28.882 73.246 560 HE3 LYS 72 HE3 LYS 72 3.206 28.106 74.769 561 HZ1 LYS 72 HZ1 LYS 72 5.126 28.401 73.315 562 HZ2 LYS 72 HZ2 LYS 72 4.388 27.452 72.123 563 HZ3 LYS 72 HZ3 LYS 72 4.824 26.762 73.605 564 H GLN 73 H GLN 73 -2.829 29.340 73.593 565 HA GLN 73 HA GLN 73 -4.438 28.169 75.595 566 HB2 GLN 73 HB2 GLN 73 -4.708 30.459 73.714 567 HB3 GLN 73 HB3 GLN 73 -6.173 29.854 74.474 568 HG2 GLN 73 HG2 GLN 73 -3.818 30.409 76.196 569 HG3 GLN 73 HG3 GLN 73 -4.739 31.771 75.561 570 HE21 GLN 73 HE21 GLN 73 -4.829 31.791 78.096 571 HE22 GLN 73 HE22 GLN 73 -6.271 31.108 78.759 572 H HIS 74 H HIS 74 -5.107 28.588 72.113 573 HA HIS 74 HA HIS 74 -6.679 26.103 72.213 574 HD1 HIS 74 HD1 HIS 74 -7.948 29.116 73.721 575 HD2 HIS 74 HD2 HIS 74 -10.266 26.281 71.759 576 HE1 HIS 74 HE1 HIS 74 -9.928 28.713 75.218 577 HB2 HIS 74 HB2 HIS 74 -7.462 28.772 71.086 578 HB3 HIS 74 HB3 HIS 74 -8.130 27.293 70.402 579 H GLY 75 H GLY 75 -5.199 28.484 70.008 580 HA2 GLY 75 HA2 GLY 75 -3.565 27.975 68.384 581 HA3 GLY 75 HA3 GLY 75 -3.989 26.275 68.523 582 H THR 76 H THR 76 -6.895 27.000 68.309 583 HA THR 76 HA THR 76 -6.991 26.958 65.406 584 HB THR 76 HB THR 76 -8.755 25.640 65.718 585 HG1 THR 76 HG1 THR 76 -9.730 28.024 66.811 586 HG21 THR 76 HG21 THR 76 -7.669 25.034 67.840 587 HG22 THR 76 HG22 THR 76 -9.425 24.936 67.957 588 HG23 THR 76 HG23 THR 76 -8.569 26.309 68.659 589 HA PRO 77 HA PRO 77 -9.718 30.842 66.437 590 HB2 PRO 77 HB2 PRO 77 -9.346 31.941 68.891 591 HB3 PRO 77 HB3 PRO 77 -10.565 30.703 68.568 592 HG2 PRO 77 HG2 PRO 77 -7.840 30.409 69.772 593 HG3 PRO 77 HG3 PRO 77 -9.369 29.660 70.268 594 HD2 PRO 77 HD2 PRO 77 -7.505 28.341 68.813 595 HD3 PRO 77 HD3 PRO 77 -9.245 28.033 68.641 596 HA PRO 78 HA PRO 78 -5.590 33.237 67.506 597 HB2 PRO 78 HB2 PRO 78 -3.376 31.673 67.368 598 HB3 PRO 78 HB3 PRO 78 -4.262 31.953 68.872 599 HG2 PRO 78 HG2 PRO 78 -4.383 29.613 67.008 600 HG3 PRO 78 HG3 PRO 78 -4.339 29.630 68.781 601 HD2 PRO 78 HD2 PRO 78 -6.632 29.275 67.384 602 HD3 PRO 78 HD3 PRO 78 -6.590 30.096 68.956 603 H THR 79 H THR 79 -5.707 34.267 65.580 604 HA THR 79 HA THR 79 -3.977 33.424 63.461 605 HB THR 79 HB THR 79 -6.920 33.569 62.790 606 HG1 THR 79 HG1 THR 79 -5.328 31.222 62.742 607 HG21 THR 79 HG21 THR 79 -6.173 32.650 60.626 608 HG22 THR 79 HG22 THR 79 -4.500 32.757 61.173 609 HG23 THR 79 HG23 THR 79 -5.456 34.225 60.962 610 H ALA 80 H ALA 80 -3.714 35.037 61.823 611 HA ALA 80 HA ALA 80 -3.468 37.601 62.581 612 HB1 ALA 80 HB1 ALA 80 -2.647 36.806 60.447 613 HB2 ALA 80 HB2 ALA 80 -4.295 36.680 59.831 614 HB3 ALA 80 HB3 ALA 80 -3.614 38.262 60.214 615 H SER 81 H SER 81 -6.451 36.046 61.649 616 HA SER 81 HA SER 81 -8.041 38.314 61.218 617 HG SER 81 HG SER 81 -9.469 35.346 60.048 618 HB2 SER 81 HB2 SER 81 -8.687 35.512 62.122 619 HB3 SER 81 HB3 SER 81 -9.943 36.732 61.922 620 H ASP 82 H ASP 82 -7.577 36.384 64.173 621 HA ASP 82 HA ASP 82 -8.999 38.374 65.744 622 HB2 ASP 82 HB2 ASP 82 -7.684 35.774 66.565 623 HB3 ASP 82 HB3 ASP 82 -8.645 36.804 67.624 624 H VAL 83 H VAL 83 -5.740 36.977 65.560 625 HA VAL 83 HA VAL 83 -4.443 38.206 67.601 626 HB VAL 83 HB VAL 83 -3.331 38.008 64.799 627 HG11 VAL 83 HG11 VAL 83 -2.223 39.158 67.054 628 HG12 VAL 83 HG12 VAL 83 -1.520 37.539 67.020 629 HG13 VAL 83 HG13 VAL 83 -1.349 38.606 65.625 630 HG21 VAL 83 HG21 VAL 83 -4.338 35.940 66.291 631 HG22 VAL 83 HG22 VAL 83 -3.122 35.791 65.024 632 HG23 VAL 83 HG23 VAL 83 -2.626 35.917 66.712 633 H VAL 84 H VAL 84 -5.712 39.716 64.740 634 HA VAL 84 HA VAL 84 -4.246 42.134 64.859 635 HB VAL 84 HB VAL 84 -5.568 41.337 62.879 636 HG11 VAL 84 HG11 VAL 84 -7.878 41.472 62.778 637 HG12 VAL 84 HG12 VAL 84 -7.605 40.863 64.412 638 HG13 VAL 84 HG13 VAL 84 -7.977 42.569 64.155 639 HG21 VAL 84 HG21 VAL 84 -6.693 43.835 62.754 640 HG22 VAL 84 HG22 VAL 84 -5.424 44.044 63.962 641 HG23 VAL 84 HG23 VAL 84 -5.021 43.443 62.352 642 H GLY 85 H GLY 85 -7.329 41.113 66.264 643 HA2 GLY 85 HA2 GLY 85 -7.288 43.581 67.890 644 HA3 GLY 85 HA3 GLY 85 -8.779 42.889 67.265 645 H MET 86 H MET 86 -6.453 40.601 68.256 646 HA MET 86 HA MET 86 -8.151 39.765 70.437 647 HB2 MET 86 HB2 MET 86 -7.362 37.903 69.345 648 HB3 MET 86 HB3 MET 86 -5.802 38.635 68.996 649 HG2 MET 86 HG2 MET 86 -4.872 37.825 70.852 650 HG3 MET 86 HG3 MET 86 -6.278 38.217 71.840 651 HE1 MET 86 HE1 MET 86 -5.218 34.226 69.928 652 HE2 MET 86 HE2 MET 86 -4.915 35.763 69.117 653 HE3 MET 86 HE3 MET 86 -4.128 35.409 70.655 654 HA PRO 87 HA PRO 87 -4.148 40.698 72.975 655 HB2 PRO 87 HB2 PRO 87 -2.144 42.015 71.704 656 HB3 PRO 87 HB3 PRO 87 -2.270 40.253 71.727 657 HG2 PRO 87 HG2 PRO 87 -3.078 42.181 69.585 658 HG3 PRO 87 HG3 PRO 87 -2.239 40.627 69.433 659 HD2 PRO 87 HD2 PRO 87 -4.888 40.907 68.949 660 HD3 PRO 87 HD3 PRO 87 -4.191 39.414 69.610 661 H GLN 88 H GLN 88 -2.767 42.911 73.439 662 HA GLN 88 HA GLN 88 -4.824 44.942 73.632 663 HB2 GLN 88 HB2 GLN 88 -2.880 46.138 74.899 664 HB3 GLN 88 HB3 GLN 88 -3.696 44.770 75.644 665 HG2 GLN 88 HG2 GLN 88 -1.897 43.388 75.416 666 HG3 GLN 88 HG3 GLN 88 -1.280 44.241 74.002 667 HE21 GLN 88 HE21 GLN 88 -0.629 43.568 77.102 668 HE22 GLN 88 HE22 GLN 88 0.322 44.947 77.527 669 H TRP 89 H TRP 89 -1.614 44.582 72.184 670 HA TRP 89 HA TRP 89 -1.072 47.087 71.282 671 HD1 TRP 89 HD1 TRP 89 -1.884 45.882 67.744 672 HE1 TRP 89 HE1 TRP 89 -2.288 43.774 66.325 673 HE3 TRP 89 HE3 TRP 89 0.589 42.471 70.640 674 HZ2 TRP 89 HZ2 TRP 89 -1.643 41.027 66.421 675 HZ3 TRP 89 HZ3 TRP 89 0.647 40.123 69.905 676 HH2 TRP 89 HH2 TRP 89 -0.446 39.418 67.839 677 HB2 TRP 89 HB2 TRP 89 0.361 46.132 69.722 678 HB3 TRP 89 HB3 TRP 89 0.164 44.822 70.883 679 H GLN 90 H GLN 90 -3.701 45.092 70.326 680 HA GLN 90 HA GLN 90 -4.265 46.090 67.780 681 HB2 GLN 90 HB2 GLN 90 -6.571 45.340 68.184 682 HB3 GLN 90 HB3 GLN 90 -5.395 44.133 68.689 683 HG2 GLN 90 HG2 GLN 90 -6.832 44.081 70.455 684 HG3 GLN 90 HG3 GLN 90 -5.672 45.283 71.022 685 HE21 GLN 90 HE21 GLN 90 -8.087 45.252 72.172 686 HE22 GLN 90 HE22 GLN 90 -9.032 46.606 71.663 687 H GLU 91 H GLU 91 -5.466 47.184 70.948 688 HA GLU 91 HA GLU 91 -6.776 49.472 69.776 689 HB2 GLU 91 HB2 GLU 91 -7.156 48.032 72.085 690 HB3 GLU 91 HB3 GLU 91 -6.380 49.492 72.681 691 HG2 GLU 91 HG2 GLU 91 -8.115 50.784 71.365 692 HG3 GLU 91 HG3 GLU 91 -8.955 49.248 71.161 693 H TYR 92 H TYR 92 -3.888 48.856 71.718 694 HA TYR 92 HA TYR 92 -3.129 51.476 72.251 695 HD1 TYR 92 HD1 TYR 92 -0.810 52.050 73.768 696 HD2 TYR 92 HD2 TYR 92 -2.530 48.186 74.237 697 HE1 TYR 92 HE1 TYR 92 -0.811 52.354 76.208 698 HE2 TYR 92 HE2 TYR 92 -2.537 48.479 76.679 699 HH TYR 92 HH TYR 92 -2.092 51.437 78.177 700 HB2 TYR 92 HB2 TYR 92 -1.764 48.859 72.123 701 HB3 TYR 92 HB3 TYR 92 -0.718 50.266 71.952 702 H THR 93 H THR 93 -1.959 49.409 69.588 703 HA THR 93 HA THR 93 -0.461 51.313 68.246 704 HB THR 93 HB THR 93 -0.588 48.828 67.744 705 HG1 THR 93 HG1 THR 93 -0.452 50.908 65.872 706 HG21 THR 93 HG21 THR 93 -3.224 49.271 67.305 707 HG22 THR 93 HG22 THR 93 -2.331 47.904 66.643 708 HG23 THR 93 HG23 THR 93 -2.604 49.340 65.656 709 H ALA 94 H ALA 94 -3.909 50.876 68.349 710 HA ALA 94 HA ALA 94 -4.411 52.606 66.085 711 HB1 ALA 94 HB1 ALA 94 -6.803 52.320 66.753 712 HB2 ALA 94 HB2 ALA 94 -5.951 50.813 66.415 713 HB3 ALA 94 HB3 ALA 94 -6.250 51.303 68.084 714 H MET 95 H MET 95 -4.420 52.815 69.591 715 HA MET 95 HA MET 95 -5.731 55.284 69.855 716 HB2 MET 95 HB2 MET 95 -5.009 53.527 71.649 717 HB3 MET 95 HB3 MET 95 -3.523 54.464 71.708 718 HG2 MET 95 HG2 MET 95 -4.799 56.464 72.273 719 HG3 MET 95 HG3 MET 95 -6.293 55.531 72.203 720 HE1 MET 95 HE1 MET 95 -6.080 57.163 74.283 721 HE2 MET 95 HE2 MET 95 -6.119 56.324 75.834 722 HE3 MET 95 HE3 MET 95 -4.628 57.089 75.284 723 H LEU 96 H LEU 96 -2.545 54.479 68.810 724 HA LEU 96 HA LEU 96 -1.280 56.954 69.377 725 HG LEU 96 HG LEU 96 -0.816 53.545 68.794 726 HB2 LEU 96 HB2 LEU 96 -0.495 55.200 67.085 727 HB3 LEU 96 HB3 LEU 96 0.527 56.165 68.146 728 HD11 LEU 96 HD11 LEU 96 1.226 52.567 68.620 729 HD12 LEU 96 HD12 LEU 96 2.095 54.033 69.075 730 HD13 LEU 96 HD13 LEU 96 1.448 53.861 67.443 731 HD21 LEU 96 HD21 LEU 96 0.027 55.693 70.535 732 HD22 LEU 96 HD22 LEU 96 0.933 54.213 70.848 733 HD23 LEU 96 HD23 LEU 96 -0.829 54.199 70.919 734 H ARG 97 H ARG 97 -2.496 55.616 66.299 735 HA ARG 97 HA ARG 97 -2.252 58.125 64.947 736 HE ARG 97 HE ARG 97 -4.852 53.836 62.214 737 HB2 ARG 97 HB2 ARG 97 -3.444 56.962 63.100 738 HB3 ARG 97 HB3 ARG 97 -2.033 56.087 63.678 739 HG2 ARG 97 HG2 ARG 97 -4.024 55.028 65.216 740 HG3 ARG 97 HG3 ARG 97 -4.851 55.328 63.687 741 HD2 ARG 97 HD2 ARG 97 -2.283 54.204 63.151 742 HD3 ARG 97 HD3 ARG 97 -3.104 53.207 64.351 743 HH11 ARG 97 HH11 ARG 97 -2.125 51.833 63.032 744 HH12 ARG 97 HH12 ARG 97 -2.519 50.599 61.882 745 HH21 ARG 97 HH21 ARG 97 -5.382 52.219 60.695 746 HH22 ARG 97 HH22 ARG 97 -4.372 50.820 60.551 747 H GLU 98 H GLU 98 -4.833 56.393 66.571 748 HA GLU 98 HA GLU 98 -6.946 58.062 65.629 749 HB2 GLU 98 HB2 GLU 98 -7.441 55.825 66.403 750 HB3 GLU 98 HB3 GLU 98 -6.775 56.186 67.991 751 HG2 GLU 98 HG2 GLU 98 -8.900 56.553 68.561 752 HG3 GLU 98 HG3 GLU 98 -8.669 58.112 67.771 753 H ARG 99 H ARG 99 -5.277 57.830 68.771 754 HA ARG 99 HA ARG 99 -6.373 60.441 69.510 755 HE ARG 99 HE ARG 99 -7.062 61.328 74.110 756 HB2 ARG 99 HB2 ARG 99 -6.439 58.392 71.052 757 HB3 ARG 99 HB3 ARG 99 -4.712 58.647 71.269 758 HG2 ARG 99 HG2 ARG 99 -5.592 59.761 73.076 759 HG3 ARG 99 HG3 ARG 99 -5.414 61.066 71.901 760 HD2 ARG 99 HD2 ARG 99 -7.691 61.169 71.478 761 HD3 ARG 99 HD3 ARG 99 -7.975 59.531 72.069 762 HH11 ARG 99 HH11 ARG 99 -9.848 60.187 72.361 763 HH12 ARG 99 HH12 ARG 99 -10.968 60.599 73.616 764 HH21 ARG 99 HH21 ARG 99 -8.527 61.876 75.770 765 HH22 ARG 99 HH22 ARG 99 -10.215 61.561 75.555 766 H PHE 100 H PHE 100 -4.121 59.905 67.564 767 HA PHE 100 HA PHE 100 -1.632 60.554 68.529 768 HD1 PHE 100 HD1 PHE 100 -4.710 61.475 65.964 769 HD2 PHE 100 HD2 PHE 100 -0.819 63.052 65.269 770 HE1 PHE 100 HE1 PHE 100 -5.695 63.326 64.677 771 HE2 PHE 100 HE2 PHE 100 -1.796 64.905 63.981 772 HZ PHE 100 HZ PHE 100 -4.237 65.045 63.683 773 HB2 PHE 100 HB2 PHE 100 -1.030 61.034 66.348 774 HB3 PHE 100 HB3 PHE 100 -2.488 60.082 66.092 775 H ALA 101 H ALA 101 -4.420 62.598 68.195 776 HA ALA 101 HA ALA 101 -3.361 65.132 68.130 777 HB1 ALA 101 HB1 ALA 101 -5.847 64.182 68.363 778 HB2 ALA 101 HB2 ALA 101 -5.597 64.724 70.022 779 HB3 ALA 101 HB3 ALA 101 -5.431 65.865 68.687 780 H GLY 102 H GLY 102 -3.562 62.922 70.862 781 HA2 GLY 102 HA2 GLY 102 -1.833 64.774 72.370 782 HA3 GLY 102 HA3 GLY 102 -3.232 64.042 73.141 783 H LEU 103 H LEU 103 -0.130 63.334 71.609 784 HA LEU 103 HA LEU 103 -0.133 60.644 72.729 785 HG LEU 103 HG LEU 103 -0.374 61.281 69.941 786 HB2 LEU 103 HB2 LEU 103 1.862 62.082 70.987 787 HB3 LEU 103 HB3 LEU 103 2.017 60.410 71.521 788 HD11 LEU 103 HD11 LEU 103 1.882 61.928 68.853 789 HD12 LEU 103 HD12 LEU 103 0.693 61.037 67.903 790 HD13 LEU 103 HD13 LEU 103 2.071 60.191 68.608 791 HD21 LEU 103 HD21 LEU 103 -0.852 59.110 69.940 792 HD22 LEU 103 HD22 LEU 103 0.443 58.895 71.118 793 HD23 LEU 103 HD23 LEU 103 0.773 58.686 69.399 794 H ASP 104 H ASP 104 1.832 63.602 72.895 795 HA ASP 104 HA ASP 104 3.845 62.972 74.549 796 HB2 ASP 104 HB2 ASP 104 2.066 65.390 74.523 797 HB3 ASP 104 HB3 ASP 104 3.370 65.261 75.701 798 H THR 105 H THR 105 0.479 62.982 75.405 799 HA THR 105 HA THR 105 0.356 63.192 78.087 800 HB THR 105 HB THR 105 -1.598 62.607 76.742 801 HG1 THR 105 HG1 THR 105 -0.911 61.125 79.021 802 HG21 THR 105 HG21 THR 105 -1.982 60.232 76.117 803 HG22 THR 105 HG22 THR 105 -0.320 59.875 76.585 804 HG23 THR 105 HG23 THR 105 -0.642 60.973 75.243 805 H ILE 106 H ILE 106 1.746 60.495 76.310 806 HA ILE 106 HA ILE 106 2.029 58.623 78.327 807 HB ILE 106 HB ILE 106 4.137 57.915 77.082 808 HG12 ILE 106 HG12 ILE 106 3.564 60.483 75.797 809 HG13 ILE 106 HG13 ILE 106 5.054 59.545 75.821 810 HG21 ILE 106 HG21 ILE 106 1.756 57.117 76.700 811 HG22 ILE 106 HG22 ILE 106 1.728 58.202 75.311 812 HG23 ILE 106 HG23 ILE 106 2.893 56.879 75.375 813 HD11 ILE 106 HD11 ILE 106 4.002 58.063 74.078 814 HD12 ILE 106 HD12 ILE 106 2.729 59.275 73.946 815 HD13 ILE 106 HD13 ILE 106 4.398 59.705 73.569 Start of MODEL 16 1 H LYS 1 H LYS 1 12.266 77.029 53.087 2 HA LYS 1 HA LYS 1 11.909 79.850 52.708 3 HB2 LYS 1 HB2 LYS 1 10.688 77.802 54.245 4 HB3 LYS 1 HB3 LYS 1 11.246 79.031 55.373 5 HG2 LYS 1 HG2 LYS 1 9.880 80.667 54.466 6 HG3 LYS 1 HG3 LYS 1 9.692 79.804 52.938 7 HD2 LYS 1 HD2 LYS 1 8.081 78.402 53.773 8 HD3 LYS 1 HD3 LYS 1 8.691 78.511 55.426 9 HE2 LYS 1 HE2 LYS 1 7.914 80.975 55.295 10 HE3 LYS 1 HE3 LYS 1 6.956 80.433 53.917 11 HZ1 LYS 1 HZ1 LYS 1 6.588 78.627 56.030 12 HZ2 LYS 1 HZ2 LYS 1 5.448 79.649 55.312 13 HZ3 LYS 1 HZ3 LYS 1 6.356 80.191 56.633 14 H GLN 2 H GLN 2 13.124 81.465 53.456 15 HA GLN 2 HA GLN 2 15.504 80.852 54.978 16 HB2 GLN 2 HB2 GLN 2 14.454 83.257 53.544 17 HB3 GLN 2 HB3 GLN 2 15.723 83.465 54.744 18 HG2 GLN 2 HG2 GLN 2 16.594 81.347 53.180 19 HG3 GLN 2 HG3 GLN 2 15.883 82.484 52.034 20 HE21 GLN 2 HE21 GLN 2 16.472 84.884 52.877 21 HE22 GLN 2 HE22 GLN 2 18.176 85.124 53.043 22 H GLN 3 H GLN 3 12.569 80.961 56.032 23 HA GLN 3 HA GLN 3 12.366 83.011 57.919 24 HB2 GLN 3 HB2 GLN 3 11.002 80.519 57.333 25 HB3 GLN 3 HB3 GLN 3 11.101 80.803 59.066 26 HG2 GLN 3 HG2 GLN 3 9.840 82.545 56.972 27 HG3 GLN 3 HG3 GLN 3 9.065 81.742 58.336 28 HE21 GLN 3 HE21 GLN 3 10.043 84.636 57.232 29 HE22 GLN 3 HE22 GLN 3 10.301 85.465 58.725 30 H LEU 4 H LEU 4 13.299 79.619 58.523 31 HA LEU 4 HA LEU 4 15.442 80.381 60.254 32 HG LEU 4 HG LEU 4 15.433 81.004 62.325 33 HB2 LEU 4 HB2 LEU 4 12.950 80.338 61.439 34 HB3 LEU 4 HB3 LEU 4 13.612 78.751 61.824 35 HD11 LEU 4 HD11 LEU 4 13.884 82.290 63.310 36 HD12 LEU 4 HD12 LEU 4 13.980 81.111 64.618 37 HD13 LEU 4 HD13 LEU 4 12.707 80.979 63.404 38 HD21 LEU 4 HD21 LEU 4 15.209 79.549 64.609 39 HD22 LEU 4 HD22 LEU 4 16.324 79.186 63.292 40 HD23 LEU 4 HD23 LEU 4 14.773 78.351 63.389 41 H GLN 5 H GLN 5 16.662 78.558 61.025 42 HA GLN 5 HA GLN 5 16.963 76.508 59.183 43 HB2 GLN 5 HB2 GLN 5 17.896 76.952 61.979 44 HB3 GLN 5 HB3 GLN 5 18.097 75.349 61.286 45 HG2 GLN 5 HG2 GLN 5 20.098 76.335 60.766 46 HG3 GLN 5 HG3 GLN 5 19.168 76.628 59.298 47 HE21 GLN 5 HE21 GLN 5 20.507 78.046 62.180 48 HE22 GLN 5 HE22 GLN 5 20.359 79.693 61.681 49 H GLU 6 H GLU 6 15.892 74.688 58.782 50 HA GLU 6 HA GLU 6 13.662 73.944 60.462 51 HB2 GLU 6 HB2 GLU 6 14.705 73.013 57.804 52 HB3 GLU 6 HB3 GLU 6 13.485 72.081 58.661 53 HG2 GLU 6 HG2 GLU 6 11.883 73.428 57.954 54 HG3 GLU 6 HG3 GLU 6 12.722 74.838 58.598 55 H HIS 7 H HIS 7 16.666 73.536 61.119 56 HA HIS 7 HA HIS 7 16.978 70.701 61.347 57 HD1 HIS 7 HD1 HIS 7 18.487 72.242 59.339 58 HD2 HIS 7 HD2 HIS 7 20.948 70.377 62.118 59 HE1 HIS 7 HE1 HIS 7 20.308 71.146 57.996 60 HB2 HIS 7 HB2 HIS 7 18.523 73.105 62.122 61 HB3 HIS 7 HB3 HIS 7 18.798 71.666 63.098 62 H ALA 8 H ALA 8 16.508 69.372 63.011 63 HA ALA 8 HA ALA 8 15.828 70.434 65.621 64 HB1 ALA 8 HB1 ALA 8 13.775 70.129 63.816 65 HB2 ALA 8 HB2 ALA 8 13.722 68.627 64.741 66 HB3 ALA 8 HB3 ALA 8 13.611 70.179 65.571 67 HA PRO 9 HA PRO 9 17.939 66.592 66.451 68 HB2 PRO 9 HB2 PRO 9 17.999 66.896 69.147 69 HB3 PRO 9 HB3 PRO 9 19.097 67.752 68.059 70 HG2 PRO 9 HG2 PRO 9 16.580 68.722 69.359 71 HG3 PRO 9 HG3 PRO 9 18.133 69.557 69.166 72 HD2 PRO 9 HD2 PRO 9 16.010 70.036 67.553 73 HD3 PRO 9 HD3 PRO 9 17.687 70.146 66.982 74 H SER 10 H SER 10 17.392 64.569 67.256 75 HA SER 10 HA SER 10 15.109 64.112 68.901 76 HG SER 10 HG SER 10 13.396 64.828 68.103 77 HB2 SER 10 HB2 SER 10 14.725 64.200 66.021 78 HB3 SER 10 HB3 SER 10 14.295 62.624 66.685 79 H HIS 11 H HIS 11 14.671 61.759 69.163 80 HA HIS 11 HA HIS 11 17.112 60.349 69.499 81 HD1 HIS 11 HD1 HIS 11 15.594 61.291 72.207 82 HD2 HIS 11 HD2 HIS 11 16.624 57.306 71.642 83 HE1 HIS 11 HE1 HIS 11 16.748 60.587 74.329 84 HB2 HIS 11 HB2 HIS 11 14.318 59.989 70.219 85 HB3 HIS 11 HB3 HIS 11 15.067 58.471 69.732 86 H ALA 12 H ALA 12 17.121 57.914 68.767 87 HA ALA 12 HA ALA 12 16.952 57.974 65.848 88 HB1 ALA 12 HB1 ALA 12 18.145 55.604 67.073 89 HB2 ALA 12 HB2 ALA 12 18.774 56.677 65.821 90 HB3 ALA 12 HB3 ALA 12 18.935 57.115 67.522 91 H ASN 13 H ASN 13 15.928 56.361 64.643 92 HA ASN 13 HA ASN 13 13.619 55.200 65.930 93 HB2 ASN 13 HB2 ASN 13 13.265 54.314 63.503 94 HB3 ASN 13 HB3 ASN 13 13.078 56.035 63.826 95 HD21 ASN 13 HD21 ASN 13 14.786 53.645 62.109 96 HD22 ASN 13 HD22 ASN 13 15.885 54.691 61.283 97 H LEU 14 H LEU 14 16.666 54.104 64.586 98 HA LEU 14 HA LEU 14 15.967 51.308 64.851 99 HG LEU 14 HG LEU 14 17.042 49.936 63.569 100 HB2 LEU 14 HB2 LEU 14 17.755 52.709 63.296 101 HB3 LEU 14 HB3 LEU 14 18.791 51.929 64.490 102 HD11 LEU 14 HD11 LEU 14 16.397 50.712 61.562 103 HD12 LEU 14 HD12 LEU 14 18.020 50.233 61.069 104 HD13 LEU 14 HD13 LEU 14 17.687 51.913 61.491 105 HD21 LEU 14 HD21 LEU 14 19.297 49.288 62.358 106 HD22 LEU 14 HD22 LEU 14 19.137 49.209 64.113 107 HD23 LEU 14 HD23 LEU 14 19.935 50.592 63.362 108 H ASP 15 H ASP 15 16.456 53.469 67.108 109 HA ASP 15 HA ASP 15 18.584 52.618 68.695 110 HB2 ASP 15 HB2 ASP 15 16.902 54.634 68.938 111 HB3 ASP 15 HB3 ASP 15 16.031 53.508 69.977 112 H VAL 16 H VAL 16 15.192 51.558 68.711 113 HA VAL 16 HA VAL 16 15.733 49.518 70.689 114 HB VAL 16 HB VAL 16 13.367 48.898 70.405 115 HG11 VAL 16 HG11 VAL 16 12.504 51.382 70.861 116 HG12 VAL 16 HG12 VAL 16 13.437 50.464 72.045 117 HG13 VAL 16 HG13 VAL 16 14.237 51.659 71.023 118 HG21 VAL 16 HG21 VAL 16 13.591 50.766 68.094 119 HG22 VAL 16 HG22 VAL 16 12.754 49.218 68.218 120 HG23 VAL 16 HG23 VAL 16 12.057 50.660 68.957 121 H LYS 17 H LYS 17 14.825 47.257 70.197 122 HA LYS 17 HA LYS 17 16.074 46.351 67.708 123 HB2 LYS 17 HB2 LYS 17 15.137 44.688 70.050 124 HB3 LYS 17 HB3 LYS 17 16.159 44.160 68.718 125 HG2 LYS 17 HG2 LYS 17 18.016 44.985 69.655 126 HG3 LYS 17 HG3 LYS 17 17.208 46.457 70.197 127 HD2 LYS 17 HD2 LYS 17 16.914 45.640 72.254 128 HD3 LYS 17 HD3 LYS 17 16.278 44.115 71.634 129 HE2 LYS 17 HE2 LYS 17 19.152 44.421 71.236 130 HE3 LYS 17 HE3 LYS 17 18.677 44.452 72.933 131 HZ1 LYS 17 HZ1 LYS 17 18.796 42.247 71.143 132 HZ2 LYS 17 HZ2 LYS 17 17.251 42.387 71.818 133 HZ3 LYS 17 HZ3 LYS 17 18.605 42.252 72.824 134 H TRP 18 H TRP 18 13.287 45.226 69.627 135 HA TRP 18 HA TRP 18 11.678 45.212 67.173 136 HD1 TRP 18 HD1 TRP 18 12.639 43.454 65.377 137 HE1 TRP 18 HE1 TRP 18 14.753 42.077 64.869 138 HE3 TRP 18 HE3 TRP 18 13.462 41.486 70.023 139 HZ2 TRP 18 HZ2 TRP 18 16.533 40.378 66.253 140 HZ3 TRP 18 HZ3 TRP 18 15.391 39.994 70.346 141 HH2 TRP 18 HH2 TRP 18 16.893 39.452 68.499 142 HB2 TRP 18 HB2 TRP 18 11.744 42.905 69.126 143 HB3 TRP 18 HB3 TRP 18 10.830 42.994 67.623 144 H LEU 19 H LEU 19 9.304 44.590 67.821 145 HA LEU 19 HA LEU 19 8.332 46.632 69.475 146 HG LEU 19 HG LEU 19 5.685 45.616 70.311 147 HB2 LEU 19 HB2 LEU 19 7.079 45.500 67.646 148 HB3 LEU 19 HB3 LEU 19 6.905 44.094 68.696 149 HD11 LEU 19 HD11 LEU 19 5.351 47.410 67.927 150 HD12 LEU 19 HD12 LEU 19 6.579 47.703 69.159 151 HD13 LEU 19 HD13 LEU 19 4.871 47.697 69.601 152 HD21 LEU 19 HD21 LEU 19 3.803 44.783 69.453 153 HD22 LEU 19 HD22 LEU 19 4.809 44.141 68.153 154 HD23 LEU 19 HD23 LEU 19 3.989 45.690 67.951 155 H ASP 20 H ASP 20 8.925 46.697 71.566 156 HA ASP 20 HA ASP 20 8.989 46.183 73.781 157 HB2 ASP 20 HB2 ASP 20 6.564 45.509 73.196 158 HB3 ASP 20 HB3 ASP 20 7.159 43.853 73.258 159 H GLY 21 H GLY 21 11.038 45.191 72.203 160 HA2 GLY 21 HA2 GLY 21 11.666 42.686 73.631 161 HA3 GLY 21 HA3 GLY 21 12.007 42.853 71.915 162 H LEU 22 H LEU 22 12.741 44.267 75.083 163 HA LEU 22 HA LEU 22 15.488 44.705 74.166 164 HG LEU 22 HG LEU 22 15.194 46.643 72.850 165 HB2 LEU 22 HB2 LEU 22 13.680 46.755 75.412 166 HB3 LEU 22 HB3 LEU 22 15.435 46.896 75.466 167 HD11 LEU 22 HD11 LEU 22 12.511 47.700 73.716 168 HD12 LEU 22 HD12 LEU 22 12.835 46.255 72.758 169 HD13 LEU 22 HD13 LEU 22 13.160 47.852 72.083 170 HD21 LEU 22 HD21 LEU 22 15.071 49.114 72.707 171 HD22 LEU 22 HD22 LEU 22 16.210 48.541 73.925 172 HD23 LEU 22 HD23 LEU 22 14.632 49.158 74.416 173 H ARG 23 H ARG 23 16.821 45.513 76.189 174 HA ARG 23 HA ARG 23 16.352 43.514 78.258 175 HE ARG 23 HE ARG 23 20.160 41.186 79.700 176 HB2 ARG 23 HB2 ARG 23 18.628 44.277 76.992 177 HB3 ARG 23 HB3 ARG 23 18.722 45.262 78.446 178 HG2 ARG 23 HG2 ARG 23 19.082 43.488 79.795 179 HG3 ARG 23 HG3 ARG 23 18.063 42.412 78.834 180 HD2 ARG 23 HD2 ARG 23 19.792 42.164 77.183 181 HD3 ARG 23 HD3 ARG 23 20.787 43.380 77.982 182 HH11 ARG 23 HH11 ARG 23 22.272 42.249 77.145 183 HH12 ARG 23 HH12 ARG 23 23.557 41.172 77.582 184 HH21 ARG 23 HH21 ARG 23 21.844 39.765 80.287 185 HH22 ARG 23 HH22 ARG 23 23.312 39.758 79.369 186 H ALA 24 H ALA 24 17.155 46.985 78.107 187 HA ALA 24 HA ALA 24 15.317 47.567 80.247 188 HB1 ALA 24 HB1 ALA 24 17.971 48.568 80.970 189 HB2 ALA 24 HB2 ALA 24 16.707 47.864 81.978 190 HB3 ALA 24 HB3 ALA 24 17.801 46.816 81.074 191 H GLY 25 H GLY 25 15.417 49.957 80.824 192 HA2 GLY 25 HA2 GLY 25 16.157 52.170 80.124 193 HA3 GLY 25 HA3 GLY 25 16.313 51.534 78.494 194 H SER 26 H SER 26 13.984 50.281 78.025 195 HA SER 26 HA SER 26 12.164 52.499 77.756 196 HG SER 26 HG SER 26 11.850 50.929 74.768 197 HB2 SER 26 HB2 SER 26 12.242 49.677 76.745 198 HB3 SER 26 HB3 SER 26 10.734 50.589 76.666 199 H MET 27 H MET 27 12.781 50.913 80.376 200 HA MET 27 HA MET 27 10.521 49.605 81.283 201 HB2 MET 27 HB2 MET 27 12.338 51.407 82.892 202 HB3 MET 27 HB3 MET 27 11.267 50.175 83.545 203 HG2 MET 27 HG2 MET 27 12.560 48.485 82.224 204 HG3 MET 27 HG3 MET 27 13.708 49.766 81.843 205 HE1 MET 27 HE1 MET 27 13.328 51.370 84.658 206 HE2 MET 27 HE2 MET 27 14.681 50.767 85.616 207 HE3 MET 27 HE3 MET 27 14.928 51.219 83.930 208 H ALA 28 H ALA 28 8.494 50.214 81.633 209 HA ALA 28 HA ALA 28 6.634 51.523 81.798 210 HB1 ALA 28 HB1 ALA 28 8.536 52.473 83.799 211 HB2 ALA 28 HB2 ALA 28 7.308 53.662 83.364 212 HB3 ALA 28 HB3 ALA 28 6.826 52.072 83.957 213 H LEU 29 H LEU 29 8.411 52.057 79.562 214 HA LEU 29 HA LEU 29 7.800 54.906 79.115 215 HG LEU 29 HG LEU 29 11.205 55.632 78.065 216 HB2 LEU 29 HB2 LEU 29 10.255 53.560 78.928 217 HB3 LEU 29 HB3 LEU 29 9.741 53.862 77.269 218 HD11 LEU 29 HD11 LEU 29 9.692 57.562 77.654 219 HD12 LEU 29 HD12 LEU 29 8.326 56.448 77.710 220 HD13 LEU 29 HD13 LEU 29 9.553 56.274 76.455 221 HD21 LEU 29 HD21 LEU 29 9.463 55.476 80.406 222 HD22 LEU 29 HD22 LEU 29 9.772 57.123 79.855 223 HD23 LEU 29 HD23 LEU 29 11.121 56.061 80.259 224 H GLN 30 H GLN 30 7.688 51.654 77.840 225 HA GLN 30 HA GLN 30 6.447 50.713 76.181 226 HB2 GLN 30 HB2 GLN 30 5.049 53.392 76.076 227 HB3 GLN 30 HB3 GLN 30 4.470 51.895 75.360 228 HG2 GLN 30 HG2 GLN 30 4.412 50.915 77.658 229 HG3 GLN 30 HG3 GLN 30 4.775 52.523 78.283 230 HE21 GLN 30 HE21 GLN 30 2.370 50.410 77.153 231 HE22 GLN 30 HE22 GLN 30 1.037 51.507 77.221 232 H GLY 31 H GLY 31 8.937 52.031 75.600 233 HA2 GLY 31 HA2 GLY 31 9.101 53.693 73.457 234 HA3 GLY 31 HA3 GLY 31 10.191 52.332 73.683 235 H ASP 32 H ASP 32 7.734 50.532 73.447 236 HA ASP 32 HA ASP 32 8.052 49.896 70.718 237 HB2 ASP 32 HB2 ASP 32 5.629 49.023 72.243 238 HB3 ASP 32 HB3 ASP 32 6.621 48.113 71.108 239 H VAL 33 H VAL 33 5.140 51.094 72.400 240 HA VAL 33 HA VAL 33 3.967 51.896 69.875 241 HB VAL 33 HB VAL 33 2.060 52.671 71.309 242 HG11 VAL 33 HG11 VAL 33 1.896 50.100 72.277 243 HG12 VAL 33 HG12 VAL 33 1.415 50.631 70.665 244 HG13 VAL 33 HG13 VAL 33 3.022 49.950 70.927 245 HG21 VAL 33 HG21 VAL 33 2.426 53.018 73.474 246 HG22 VAL 33 HG22 VAL 33 2.606 51.276 73.680 247 HG23 VAL 33 HG23 VAL 33 4.023 52.278 73.367 248 H LYS 34 H LYS 34 5.732 53.331 72.469 249 HA LYS 34 HA LYS 34 4.888 56.003 72.221 250 HB2 LYS 34 HB2 LYS 34 6.119 55.493 74.156 251 HB3 LYS 34 HB3 LYS 34 7.403 54.712 73.242 252 HG2 LYS 34 HG2 LYS 34 7.847 57.041 72.260 253 HG3 LYS 34 HG3 LYS 34 6.862 57.634 73.599 254 HD2 LYS 34 HD2 LYS 34 8.581 57.443 74.996 255 HD3 LYS 34 HD3 LYS 34 8.765 55.735 74.585 256 HE2 LYS 34 HE2 LYS 34 9.988 56.554 72.498 257 HE3 LYS 34 HE3 LYS 34 10.054 58.124 73.295 258 HZ1 LYS 34 HZ1 LYS 34 11.207 55.580 74.300 259 HZ2 LYS 34 HZ2 LYS 34 11.177 57.027 75.176 260 HZ3 LYS 34 HZ3 LYS 34 12.063 56.925 73.738 261 H VAL 35 H VAL 35 7.691 54.332 70.793 262 HA VAL 35 HA VAL 35 8.447 56.579 69.196 263 HB VAL 35 HB VAL 35 10.150 55.226 68.291 264 HG11 VAL 35 HG11 VAL 35 10.714 55.659 70.518 265 HG12 VAL 35 HG12 VAL 35 9.531 54.504 71.137 266 HG13 VAL 35 HG13 VAL 35 10.991 53.927 70.331 267 HG21 VAL 35 HG21 VAL 35 10.136 52.727 68.598 268 HG22 VAL 35 HG22 VAL 35 8.455 52.876 69.110 269 HG23 VAL 35 HG23 VAL 35 8.926 53.356 67.479 270 H TRP 36 H TRP 36 6.348 53.841 68.773 271 HA TRP 36 HA TRP 36 6.173 53.464 66.093 272 HD1 TRP 36 HD1 TRP 36 3.967 52.281 64.549 273 HE1 TRP 36 HE1 TRP 36 1.617 52.790 63.629 274 HE3 TRP 36 HE3 TRP 36 1.977 54.605 68.646 275 HZ2 TRP 36 HZ2 TRP 36 -0.764 54.015 64.522 276 HZ3 TRP 36 HZ3 TRP 36 -0.343 55.415 68.530 277 HH2 TRP 36 HH2 TRP 36 -1.684 55.127 66.510 278 HB2 TRP 36 HB2 TRP 36 4.716 52.141 67.322 279 HB3 TRP 36 HB3 TRP 36 4.085 53.506 68.240 280 H MET 37 H MET 37 4.691 56.123 67.912 281 HA MET 37 HA MET 37 3.286 57.317 65.820 282 HB2 MET 37 HB2 MET 37 3.772 57.890 68.495 283 HB3 MET 37 HB3 MET 37 4.460 59.263 67.639 284 HG2 MET 37 HG2 MET 37 2.252 59.868 68.108 285 HG3 MET 37 HG3 MET 37 2.257 59.419 66.404 286 HE1 MET 37 HE1 MET 37 1.888 57.921 69.954 287 HE2 MET 37 HE2 MET 37 0.815 56.544 69.704 288 HE3 MET 37 HE3 MET 37 2.466 56.499 69.083 289 H GLN 38 H GLN 38 6.555 58.087 67.017 290 HA GLN 38 HA GLN 38 7.131 60.001 65.030 291 HB2 GLN 38 HB2 GLN 38 9.372 59.942 65.818 292 HB3 GLN 38 HB3 GLN 38 8.345 59.683 67.222 293 HG2 GLN 38 HG2 GLN 38 9.023 57.534 67.503 294 HG3 GLN 38 HG3 GLN 38 9.333 57.290 65.784 295 HE21 GLN 38 HE21 GLN 38 10.555 58.822 68.704 296 HE22 GLN 38 HE22 GLN 38 12.215 58.833 68.226 297 H ASN 39 H ASN 39 7.370 56.524 65.100 298 HA ASN 39 HA ASN 39 9.149 56.105 62.990 299 HB2 ASN 39 HB2 ASN 39 7.119 54.529 64.414 300 HB3 ASN 39 HB3 ASN 39 7.390 54.011 62.752 301 HD21 ASN 39 HD21 ASN 39 9.459 55.222 65.372 302 HD22 ASN 39 HD22 ASN 39 10.602 53.929 65.293 303 H LEU 40 H LEU 40 5.652 56.627 62.978 304 HA LEU 40 HA LEU 40 5.480 56.365 60.107 305 HG LEU 40 HG LEU 40 3.791 56.271 63.376 306 HB2 LEU 40 HB2 LEU 40 3.235 57.635 61.481 307 HB3 LEU 40 HB3 LEU 40 3.265 56.238 60.409 308 HD11 LEU 40 HD11 LEU 40 1.455 55.868 61.762 309 HD12 LEU 40 HD12 LEU 40 1.608 55.910 63.518 310 HD13 LEU 40 HD13 LEU 40 1.843 54.393 62.649 311 HD21 LEU 40 HD21 LEU 40 5.263 54.636 62.732 312 HD22 LEU 40 HD22 LEU 40 4.339 54.218 61.288 313 HD23 LEU 40 HD23 LEU 40 3.779 53.694 62.876 314 H GLU 41 H GLU 41 5.505 58.961 62.489 315 HA GLU 41 HA GLU 41 4.726 61.135 61.039 316 HB2 GLU 41 HB2 GLU 41 5.872 60.807 63.465 317 HB3 GLU 41 HB3 GLU 41 7.211 61.538 62.592 318 HG2 GLU 41 HG2 GLU 41 5.886 63.460 62.051 319 HG3 GLU 41 HG3 GLU 41 4.446 62.711 62.740 320 H ASP 42 H ASP 42 7.796 59.433 60.834 321 HA ASP 42 HA ASP 42 8.915 61.335 58.970 322 HB2 ASP 42 HB2 ASP 42 9.894 59.150 60.578 323 HB3 ASP 42 HB3 ASP 42 10.442 58.974 58.913 324 H LEU 43 H LEU 43 7.813 57.956 58.844 325 HA LEU 43 HA LEU 43 8.258 57.547 56.109 326 HG LEU 43 HG LEU 43 6.690 54.211 56.494 327 HB2 LEU 43 HB2 LEU 43 7.579 55.921 58.058 328 HB3 LEU 43 HB3 LEU 43 5.947 56.256 57.482 329 HD11 LEU 43 HD11 LEU 43 7.028 56.263 54.329 330 HD12 LEU 43 HD12 LEU 43 5.471 55.954 55.094 331 HD13 LEU 43 HD13 LEU 43 6.297 54.660 54.229 332 HD21 LEU 43 HD21 LEU 43 8.711 54.239 54.980 333 HD22 LEU 43 HD22 LEU 43 9.042 54.323 56.711 334 HD23 LEU 43 HD23 LEU 43 9.139 55.780 55.724 335 H HIS 44 H HIS 44 5.151 58.219 57.736 336 HA HIS 44 HA HIS 44 3.502 58.508 55.599 337 HD1 HIS 44 HD1 HIS 44 0.392 58.779 57.688 338 HD2 HIS 44 HD2 HIS 44 2.203 61.950 55.708 339 HE1 HIS 44 HE1 HIS 44 -1.488 60.073 56.632 340 HB2 HIS 44 HB2 HIS 44 2.833 58.757 57.986 341 HB3 HIS 44 HB3 HIS 44 3.523 60.378 57.977 342 H THR 45 H THR 45 5.726 60.964 56.856 343 HA THR 45 HA THR 45 5.083 63.176 55.426 344 HB THR 45 HB THR 45 7.886 62.128 55.866 345 HG1 THR 45 HG1 THR 45 6.178 63.819 57.394 346 HG21 THR 45 HG21 THR 45 7.337 64.094 54.163 347 HG22 THR 45 HG22 THR 45 8.743 64.148 55.227 348 HG23 THR 45 HG23 THR 45 7.277 65.029 55.657 349 H ARG 46 H ARG 46 6.689 60.294 54.204 350 HA ARG 46 HA ARG 46 6.841 61.490 51.531 351 HE ARG 46 HE ARG 46 11.125 60.643 49.452 352 HB2 ARG 46 HB2 ARG 46 8.575 59.811 52.963 353 HB3 ARG 46 HB3 ARG 46 7.884 58.801 51.699 354 HG2 ARG 46 HG2 ARG 46 8.910 59.941 50.031 355 HG3 ARG 46 HG3 ARG 46 8.861 61.477 50.901 356 HD2 ARG 46 HD2 ARG 46 10.687 60.801 52.307 357 HD3 ARG 46 HD3 ARG 46 10.662 59.172 51.631 358 HH11 ARG 46 HH11 ARG 46 12.562 60.728 52.622 359 HH12 ARG 46 HH12 ARG 46 14.102 61.281 52.053 360 HH21 ARG 46 HH21 ARG 46 13.148 61.370 48.689 361 HH22 ARG 46 HH22 ARG 46 14.434 61.646 49.815 362 H ARG 47 H ARG 47 5.957 58.332 52.945 363 HA ARG 47 HA ARG 47 3.773 58.176 50.974 364 HE ARG 47 HE ARG 47 3.850 53.830 48.594 365 HB2 ARG 47 HB2 ARG 47 5.663 56.660 50.401 366 HB3 ARG 47 HB3 ARG 47 5.450 55.858 51.952 367 HG2 ARG 47 HG2 ARG 47 4.297 54.456 50.554 368 HG3 ARG 47 HG3 ARG 47 3.004 55.516 51.118 369 HD2 ARG 47 HD2 ARG 47 2.620 56.283 49.060 370 HD3 ARG 47 HD3 ARG 47 4.334 56.590 48.782 371 HH11 ARG 47 HH11 ARG 47 3.192 56.794 46.891 372 HH12 ARG 47 HH12 ARG 47 3.110 56.035 45.336 373 HH21 ARG 47 HH21 ARG 47 3.744 52.819 46.552 374 HH22 ARG 47 HH22 ARG 47 3.424 53.773 45.144 375 HA PRO 48 HA PRO 48 1.396 57.812 54.727 376 HB2 PRO 48 HB2 PRO 48 -1.017 57.602 53.500 377 HB3 PRO 48 HB3 PRO 48 -0.164 59.139 53.684 378 HG2 PRO 48 HG2 PRO 48 -0.309 57.327 51.306 379 HG3 PRO 48 HG3 PRO 48 -0.424 59.094 51.374 380 HD2 PRO 48 HD2 PRO 48 1.848 57.810 50.653 381 HD3 PRO 48 HD3 PRO 48 1.860 59.364 51.511 382 H ASP 49 H ASP 49 1.273 55.602 52.000 383 HA ASP 49 HA ASP 49 -0.198 53.568 53.388 384 HB2 ASP 49 HB2 ASP 49 -0.244 53.776 50.926 385 HB3 ASP 49 HB3 ASP 49 1.468 53.363 50.870 386 H GLU 50 H GLU 50 3.181 53.759 52.252 387 HA GLU 50 HA GLU 50 4.100 51.444 53.491 388 HB2 GLU 50 HB2 GLU 50 5.413 53.964 52.559 389 HB3 GLU 50 HB3 GLU 50 6.350 52.815 53.503 390 HG2 GLU 50 HG2 GLU 50 5.444 51.091 51.769 391 HG3 GLU 50 HG3 GLU 50 5.188 52.526 50.777 392 H PHE 51 H PHE 51 3.060 54.334 54.902 393 HA PHE 51 HA PHE 51 4.604 54.835 57.068 394 HD1 PHE 51 HD1 PHE 51 0.722 53.554 56.014 395 HD2 PHE 51 HD2 PHE 51 1.702 55.172 59.828 396 HE1 PHE 51 HE1 PHE 51 -1.177 52.349 57.010 397 HE2 PHE 51 HE2 PHE 51 -0.196 53.969 60.830 398 HZ PHE 51 HZ PHE 51 -1.640 52.555 59.419 399 HB2 PHE 51 HB2 PHE 51 2.811 55.942 57.941 400 HB3 PHE 51 HB3 PHE 51 2.155 55.648 56.334 401 H THR 52 H THR 52 2.251 52.201 56.782 402 HA THR 52 HA THR 52 2.674 51.193 59.410 403 HB THR 52 HB THR 52 0.671 50.405 58.664 404 HG1 THR 52 HG1 THR 52 1.432 48.447 59.129 405 HG21 THR 52 HG21 THR 52 0.405 49.520 56.262 406 HG22 THR 52 HG22 THR 52 1.953 50.303 55.950 407 HG23 THR 52 HG23 THR 52 0.573 51.261 56.488 408 H ALA 53 H ALA 53 4.253 50.731 56.350 409 HA ALA 53 HA ALA 53 5.504 48.277 56.736 410 HB1 ALA 53 HB1 ALA 53 7.158 50.315 55.423 411 HB2 ALA 53 HB2 ALA 53 6.605 48.747 54.836 412 HB3 ALA 53 HB3 ALA 53 5.530 50.145 54.770 413 H ARG 54 H ARG 54 5.976 51.229 58.382 414 HA ARG 54 HA ARG 54 8.702 50.796 59.156 415 HE ARG 54 HE ARG 54 10.213 52.017 58.486 416 HB2 ARG 54 HB2 ARG 54 7.240 53.002 59.098 417 HB3 ARG 54 HB3 ARG 54 6.867 52.528 60.750 418 HG2 ARG 54 HG2 ARG 54 8.690 53.730 61.247 419 HG3 ARG 54 HG3 ARG 54 9.556 52.272 60.758 420 HD2 ARG 54 HD2 ARG 54 8.818 54.319 58.710 421 HD3 ARG 54 HD3 ARG 54 10.211 54.593 59.755 422 HH11 ARG 54 HH11 ARG 54 11.076 55.372 58.150 423 HH12 ARG 54 HH12 ARG 54 12.315 55.071 56.977 424 HH21 ARG 54 HH21 ARG 54 11.843 51.607 56.943 425 HH22 ARG 54 HH22 ARG 54 12.749 52.930 56.291 426 H LEU 55 H LEU 55 5.754 50.931 61.162 427 HA LEU 55 HA LEU 55 7.009 49.373 63.230 428 HG LEU 55 HG LEU 55 3.002 50.790 63.653 429 HB2 LEU 55 HB2 LEU 55 5.025 49.716 64.484 430 HB3 LEU 55 HB3 LEU 55 5.393 51.225 63.652 431 HD11 LEU 55 HD11 LEU 55 4.201 51.864 61.690 432 HD12 LEU 55 HD12 LEU 55 2.587 51.226 61.382 433 HD13 LEU 55 HD13 LEU 55 4.006 50.318 60.861 434 HD21 LEU 55 HD21 LEU 55 2.032 48.834 63.094 435 HD22 LEU 55 HD22 LEU 55 3.618 48.169 63.483 436 HD23 LEU 55 HD23 LEU 55 3.191 48.503 61.805 437 H GLN 56 H GLN 56 5.198 48.701 60.427 438 HA GLN 56 HA GLN 56 3.743 46.442 61.099 439 HB2 GLN 56 HB2 GLN 56 3.407 47.285 58.937 440 HB3 GLN 56 HB3 GLN 56 5.127 47.285 58.570 441 HG2 GLN 56 HG2 GLN 56 5.135 44.867 58.461 442 HG3 GLN 56 HG3 GLN 56 3.433 44.822 58.916 443 HE21 GLN 56 HE21 GLN 56 4.370 43.618 56.618 444 HE22 GLN 56 HE22 GLN 56 3.748 44.456 55.242 445 H GLN 57 H GLN 57 7.181 46.810 60.573 446 HA GLN 57 HA GLN 57 7.716 43.989 60.490 447 HB2 GLN 57 HB2 GLN 57 9.516 46.394 60.790 448 HB3 GLN 57 HB3 GLN 57 10.111 44.741 60.715 449 HG2 GLN 57 HG2 GLN 57 8.303 45.418 58.533 450 HG3 GLN 57 HG3 GLN 57 9.754 46.417 58.583 451 HE21 GLN 57 HE21 GLN 57 11.671 45.562 57.993 452 HE22 GLN 57 HE22 GLN 57 11.885 43.939 57.443 453 H SER 58 H SER 58 7.870 46.544 62.916 454 HA SER 58 HA SER 58 9.115 44.987 64.931 455 HG SER 58 HG SER 58 9.988 47.463 64.654 456 HB2 SER 58 HB2 SER 58 7.726 47.610 64.802 457 HB3 SER 58 HB3 SER 58 7.826 46.842 66.386 458 H THR 59 H THR 59 5.741 45.684 64.144 459 HA THR 59 HA THR 59 4.390 44.701 66.291 460 HB THR 59 HB THR 59 3.630 44.068 63.434 461 HG1 THR 59 HG1 THR 59 3.654 46.198 63.311 462 HG21 THR 59 HG21 THR 59 1.340 44.134 64.288 463 HG22 THR 59 HG22 THR 59 1.946 44.459 65.912 464 HG23 THR 59 HG23 THR 59 2.290 42.913 65.135 465 H ASP 60 H ASP 60 6.101 42.853 63.851 466 HA ASP 60 HA ASP 60 5.171 40.324 64.109 467 HB2 ASP 60 HB2 ASP 60 7.536 41.489 63.171 468 HB3 ASP 60 HB3 ASP 60 8.061 40.263 64.322 469 H ALA 61 H ALA 61 7.326 41.969 66.390 470 HA ALA 61 HA ALA 61 7.962 39.938 68.112 471 HB1 ALA 61 HB1 ALA 61 8.809 41.584 69.351 472 HB2 ALA 61 HB2 ALA 61 8.165 42.698 68.144 473 HB3 ALA 61 HB3 ALA 61 7.224 42.321 69.587 474 H LEU 62 H LEU 62 4.996 41.895 68.138 475 HA LEU 62 HA LEU 62 3.870 40.280 70.273 476 HG LEU 62 HG LEU 62 1.991 41.050 71.294 477 HB2 LEU 62 HB2 LEU 62 3.601 42.846 69.847 478 HB3 LEU 62 HB3 LEU 62 2.327 42.329 68.744 479 HD11 LEU 62 HD11 LEU 62 3.273 43.104 72.018 480 HD12 LEU 62 HD12 LEU 62 1.677 42.889 72.738 481 HD13 LEU 62 HD13 LEU 62 1.905 44.052 71.433 482 HD21 LEU 62 HD21 LEU 62 0.400 41.760 69.293 483 HD22 LEU 62 HD22 LEU 62 0.180 43.185 70.309 484 HD23 LEU 62 HD23 LEU 62 -0.195 41.583 70.944 485 H TYR 63 H TYR 63 3.149 41.016 66.870 486 HA TYR 63 HA TYR 63 0.879 39.540 66.480 487 HD1 TYR 63 HD1 TYR 63 4.149 38.098 64.240 488 HD2 TYR 63 HD2 TYR 63 0.184 39.162 63.120 489 HE1 TYR 63 HE1 TYR 63 4.133 36.277 62.586 490 HE2 TYR 63 HE2 TYR 63 0.157 37.344 61.464 491 HH TYR 63 HH TYR 63 2.969 35.669 60.529 492 HB2 TYR 63 HB2 TYR 63 1.416 40.587 64.536 493 HB3 TYR 63 HB3 TYR 63 3.147 40.358 64.768 494 H SER 64 H SER 64 4.222 38.355 66.417 495 HA SER 64 HA SER 64 3.440 35.644 65.900 496 HG SER 64 HG SER 64 6.632 34.630 65.672 497 HB2 SER 64 HB2 SER 64 5.761 36.992 65.546 498 HB3 SER 64 HB3 SER 64 6.115 36.160 67.060 499 H HIS 65 H HIS 65 4.805 37.331 68.725 500 HA HIS 65 HA HIS 65 4.896 35.288 70.540 501 HD1 HIS 65 HD1 HIS 65 3.531 38.753 73.377 502 HD2 HIS 65 HD2 HIS 65 5.371 35.040 73.094 503 HE1 HIS 65 HE1 HIS 65 3.520 37.819 75.711 504 HB2 HIS 65 HB2 HIS 65 5.691 37.520 71.076 505 HB3 HIS 65 HB3 HIS 65 4.046 38.150 71.029 506 H LEU 66 H LEU 66 2.067 37.212 69.633 507 HA LEU 66 HA LEU 66 0.306 35.976 71.496 508 HG LEU 66 HG LEU 66 -2.179 36.263 70.701 509 HB2 LEU 66 HB2 LEU 66 0.008 38.221 70.379 510 HB3 LEU 66 HB3 LEU 66 -0.461 37.340 68.925 511 HD11 LEU 66 HD11 LEU 66 -1.082 38.176 72.258 512 HD12 LEU 66 HD12 LEU 66 -2.729 37.576 72.441 513 HD13 LEU 66 HD13 LEU 66 -2.429 39.068 71.550 514 HD21 LEU 66 HD21 LEU 66 -2.252 38.317 68.652 515 HD22 LEU 66 HD22 LEU 66 -3.518 38.530 69.862 516 HD23 LEU 66 HD23 LEU 66 -3.387 37.006 68.982 517 H GLU 67 H GLU 67 0.617 35.656 67.955 518 HA GLU 67 HA GLU 67 -1.215 33.582 67.630 519 HB2 GLU 67 HB2 GLU 67 0.076 35.035 65.880 520 HB3 GLU 67 HB3 GLU 67 1.256 33.733 65.941 521 HG2 GLU 67 HG2 GLU 67 -0.864 32.232 65.552 522 HG3 GLU 67 HG3 GLU 67 -1.523 33.727 64.892 523 H ALA 68 H ALA 68 2.094 33.539 68.719 524 HA ALA 68 HA ALA 68 2.338 30.663 68.491 525 HB1 ALA 68 HB1 ALA 68 4.146 32.774 68.622 526 HB2 ALA 68 HB2 ALA 68 4.354 31.905 70.143 527 HB3 ALA 68 HB3 ALA 68 4.524 31.052 68.608 528 H GLN 69 H GLN 69 2.591 32.939 71.233 529 HA GLN 69 HA GLN 69 2.387 30.995 73.236 530 HB2 GLN 69 HB2 GLN 69 2.966 33.608 73.259 531 HB3 GLN 69 HB3 GLN 69 1.288 33.704 73.776 532 HG2 GLN 69 HG2 GLN 69 2.539 31.648 75.268 533 HG3 GLN 69 HG3 GLN 69 3.586 33.067 75.305 534 HE21 GLN 69 HE21 GLN 69 2.995 34.814 76.476 535 HE22 GLN 69 HE22 GLN 69 1.561 34.900 77.435 536 H TRP 70 H TRP 70 -0.112 33.095 71.826 537 HA TRP 70 HA TRP 70 -2.250 32.157 73.383 538 HD1 TRP 70 HD1 TRP 70 -4.885 31.601 70.945 539 HE1 TRP 70 HE1 TRP 70 -7.143 32.454 71.837 540 HE3 TRP 70 HE3 TRP 70 -3.280 35.855 73.282 541 HZ2 TRP 70 HZ2 TRP 70 -8.116 34.642 73.332 542 HZ3 TRP 70 HZ3 TRP 70 -4.939 37.274 74.418 543 HH2 TRP 70 HH2 TRP 70 -7.306 36.678 74.442 544 HB2 TRP 70 HB2 TRP 70 -2.174 34.222 71.879 545 HB3 TRP 70 HB3 TRP 70 -2.514 33.129 70.541 546 H ALA 71 H ALA 71 -0.946 31.051 70.291 547 HA ALA 71 HA ALA 71 -2.834 29.294 69.422 548 HB1 ALA 71 HB1 ALA 71 0.103 29.406 69.242 549 HB2 ALA 71 HB2 ALA 71 -0.629 27.838 68.899 550 HB3 ALA 71 HB3 ALA 71 -1.110 29.260 67.971 551 H LYS 72 H LYS 72 -0.576 28.828 72.084 552 HA LYS 72 HA LYS 72 -0.907 26.119 72.560 553 HB2 LYS 72 HB2 LYS 72 0.269 28.305 73.890 554 HB3 LYS 72 HB3 LYS 72 -0.815 27.558 75.056 555 HG2 LYS 72 HG2 LYS 72 1.207 26.473 75.400 556 HG3 LYS 72 HG3 LYS 72 0.301 25.350 74.384 557 HD2 LYS 72 HD2 LYS 72 2.481 25.438 73.474 558 HD3 LYS 72 HD3 LYS 72 1.470 26.410 72.402 559 HE2 LYS 72 HE2 LYS 72 2.840 28.130 72.703 560 HE3 LYS 72 HE3 LYS 72 2.440 28.131 74.420 561 HZ1 LYS 72 HZ1 LYS 72 4.519 26.359 73.278 562 HZ2 LYS 72 HZ2 LYS 72 4.260 26.750 74.903 563 HZ3 LYS 72 HZ3 LYS 72 4.865 27.917 73.839 564 H GLN 73 H GLN 73 -2.970 28.823 73.464 565 HA GLN 73 HA GLN 73 -4.659 27.606 75.282 566 HB2 GLN 73 HB2 GLN 73 -5.186 29.718 73.199 567 HB3 GLN 73 HB3 GLN 73 -6.418 29.204 74.343 568 HG2 GLN 73 HG2 GLN 73 -3.830 29.940 75.524 569 HG3 GLN 73 HG3 GLN 73 -4.719 31.254 74.753 570 HE21 GLN 73 HE21 GLN 73 -6.568 32.012 75.677 571 HE22 GLN 73 HE22 GLN 73 -7.138 31.505 77.227 572 H HIS 74 H HIS 74 -5.377 27.990 71.806 573 HA HIS 74 HA HIS 74 -6.622 25.336 71.829 574 HD1 HIS 74 HD1 HIS 74 -9.040 27.547 73.689 575 HD2 HIS 74 HD2 HIS 74 -9.647 24.379 71.070 576 HE1 HIS 74 HE1 HIS 74 -10.753 26.077 74.798 577 HB2 HIS 74 HB2 HIS 74 -7.975 27.911 71.414 578 HB3 HIS 74 HB3 HIS 74 -8.300 26.718 70.159 579 H GLY 75 H GLY 75 -5.851 28.111 69.720 580 HA2 GLY 75 HA2 GLY 75 -4.229 27.936 67.961 581 HA3 GLY 75 HA3 GLY 75 -4.580 26.216 67.861 582 H THR 76 H THR 76 -7.402 28.005 68.202 583 HA THR 76 HA THR 76 -8.008 27.629 65.363 584 HB THR 76 HB THR 76 -10.011 26.965 66.067 585 HG1 THR 76 HG1 THR 76 -10.704 29.122 65.915 586 HG21 THR 76 HG21 THR 76 -10.490 26.675 68.427 587 HG22 THR 76 HG22 THR 76 -9.209 27.808 68.854 588 HG23 THR 76 HG23 THR 76 -8.806 26.261 68.110 589 HA PRO 77 HA PRO 77 -9.363 32.210 66.074 590 HB2 PRO 77 HB2 PRO 77 -8.748 33.341 68.465 591 HB3 PRO 77 HB3 PRO 77 -10.262 32.475 68.172 592 HG2 PRO 77 HG2 PRO 77 -7.759 31.518 69.508 593 HG3 PRO 77 HG3 PRO 77 -9.448 31.270 69.987 594 HD2 PRO 77 HD2 PRO 77 -8.004 29.374 68.702 595 HD3 PRO 77 HD3 PRO 77 -9.755 29.555 68.477 596 HA PRO 78 HA PRO 78 -4.745 33.407 67.154 597 HB2 PRO 78 HB2 PRO 78 -3.068 31.272 67.180 598 HB3 PRO 78 HB3 PRO 78 -3.861 31.887 68.635 599 HG2 PRO 78 HG2 PRO 78 -4.615 29.565 66.903 600 HG3 PRO 78 HG3 PRO 78 -4.598 29.682 68.673 601 HD2 PRO 78 HD2 PRO 78 -6.872 29.904 67.220 602 HD3 PRO 78 HD3 PRO 78 -6.624 30.779 68.745 603 H THR 79 H THR 79 -4.966 34.214 65.044 604 HA THR 79 HA THR 79 -3.342 32.846 63.073 605 HB THR 79 HB THR 79 -5.005 32.973 61.282 606 HG1 THR 79 HG1 THR 79 -7.115 33.343 63.064 607 HG21 THR 79 HG21 THR 79 -5.859 31.421 63.723 608 HG22 THR 79 HG22 THR 79 -4.854 30.856 62.389 609 HG23 THR 79 HG23 THR 79 -6.565 31.195 62.123 610 H ALA 80 H ALA 80 -2.594 34.212 61.409 611 HA ALA 80 HA ALA 80 -1.941 36.786 62.058 612 HB1 ALA 80 HB1 ALA 80 -1.730 37.111 59.506 613 HB2 ALA 80 HB2 ALA 80 -0.741 35.879 60.292 614 HB3 ALA 80 HB3 ALA 80 -2.197 35.414 59.410 615 H SER 81 H SER 81 -4.982 35.629 60.984 616 HA SER 81 HA SER 81 -5.941 38.166 60.005 617 HG SER 81 HG SER 81 -8.434 37.964 60.238 618 HB2 SER 81 HB2 SER 81 -6.957 36.305 58.969 619 HB3 SER 81 HB3 SER 81 -7.233 35.489 60.508 620 H ASP 82 H ASP 82 -6.259 36.244 62.947 621 HA ASP 82 HA ASP 82 -8.019 38.194 64.175 622 HB2 ASP 82 HB2 ASP 82 -6.774 35.642 65.212 623 HB3 ASP 82 HB3 ASP 82 -7.838 36.671 66.166 624 H VAL 83 H VAL 83 -4.743 36.928 64.752 625 HA VAL 83 HA VAL 83 -3.936 38.318 66.927 626 HB VAL 83 HB VAL 83 -2.317 37.930 64.406 627 HG11 VAL 83 HG11 VAL 83 -1.697 39.267 66.885 628 HG12 VAL 83 HG12 VAL 83 -0.632 37.885 66.623 629 HG13 VAL 83 HG13 VAL 83 -0.750 39.153 65.403 630 HG21 VAL 83 HG21 VAL 83 -3.386 36.041 66.139 631 HG22 VAL 83 HG22 VAL 83 -2.080 35.790 64.979 632 HG23 VAL 83 HG23 VAL 83 -1.706 36.209 66.651 633 H VAL 84 H VAL 84 -4.782 39.654 63.866 634 HA VAL 84 HA VAL 84 -3.394 42.067 63.876 635 HB VAL 84 HB VAL 84 -5.156 42.953 62.440 636 HG11 VAL 84 HG11 VAL 84 -4.692 41.609 60.653 637 HG12 VAL 84 HG12 VAL 84 -3.469 41.029 61.785 638 HG13 VAL 84 HG13 VAL 84 -4.965 40.122 61.558 639 HG21 VAL 84 HG21 VAL 84 -6.690 40.605 63.495 640 HG22 VAL 84 HG22 VAL 84 -7.178 42.296 63.381 641 HG23 VAL 84 HG23 VAL 84 -7.080 41.307 61.924 642 H GLY 85 H GLY 85 -6.487 41.223 65.392 643 HA2 GLY 85 HA2 GLY 85 -6.282 43.730 66.947 644 HA3 GLY 85 HA3 GLY 85 -7.819 43.122 66.349 645 H MET 86 H MET 86 -6.297 40.392 67.088 646 HA MET 86 HA MET 86 -7.821 39.805 69.344 647 HB2 MET 86 HB2 MET 86 -6.862 38.070 67.925 648 HB3 MET 86 HB3 MET 86 -5.239 38.538 68.413 649 HG2 MET 86 HG2 MET 86 -5.328 37.259 70.215 650 HG3 MET 86 HG3 MET 86 -6.868 37.958 70.711 651 HE1 MET 86 HE1 MET 86 -5.624 35.623 67.685 652 HE2 MET 86 HE2 MET 86 -4.985 35.037 69.221 653 HE3 MET 86 HE3 MET 86 -6.191 34.091 68.351 654 HA PRO 87 HA PRO 87 -3.792 40.754 71.896 655 HB2 PRO 87 HB2 PRO 87 -2.037 42.457 70.715 656 HB3 PRO 87 HB3 PRO 87 -1.937 40.701 70.540 657 HG2 PRO 87 HG2 PRO 87 -3.089 42.730 68.664 658 HG3 PRO 87 HG3 PRO 87 -2.068 41.325 68.303 659 HD2 PRO 87 HD2 PRO 87 -4.753 41.305 67.950 660 HD3 PRO 87 HD3 PRO 87 -3.839 39.854 68.409 661 H GLN 88 H GLN 88 -2.898 42.868 72.889 662 HA GLN 88 HA GLN 88 -5.125 44.701 73.101 663 HB2 GLN 88 HB2 GLN 88 -3.791 45.729 74.916 664 HB3 GLN 88 HB3 GLN 88 -4.029 44.002 75.141 665 HG2 GLN 88 HG2 GLN 88 -1.669 44.071 73.776 666 HG3 GLN 88 HG3 GLN 88 -1.570 45.529 74.764 667 HE21 GLN 88 HE21 GLN 88 -1.729 45.321 77.045 668 HE22 GLN 88 HE22 GLN 88 -1.313 43.837 77.824 669 H TRP 89 H TRP 89 -1.809 44.738 71.918 670 HA TRP 89 HA TRP 89 -1.242 47.358 71.571 671 HD1 TRP 89 HD1 TRP 89 -1.281 43.437 69.020 672 HE1 TRP 89 HE1 TRP 89 -1.775 43.492 66.495 673 HE3 TRP 89 HE3 TRP 89 -0.311 48.373 68.112 674 HZ2 TRP 89 HZ2 TRP 89 -1.754 45.378 64.395 675 HZ3 TRP 89 HZ3 TRP 89 -0.571 49.224 65.818 676 HH2 TRP 89 HH2 TRP 89 -1.277 47.756 63.999 677 HB2 TRP 89 HB2 TRP 89 0.328 46.702 70.047 678 HB3 TRP 89 HB3 TRP 89 -0.103 45.111 70.667 679 H GLN 90 H GLN 90 -3.533 45.471 69.678 680 HA GLN 90 HA GLN 90 -4.033 47.286 67.624 681 HB2 GLN 90 HB2 GLN 90 -4.915 45.090 67.423 682 HB3 GLN 90 HB3 GLN 90 -5.786 45.222 68.945 683 HG2 GLN 90 HG2 GLN 90 -6.578 47.263 67.044 684 HG3 GLN 90 HG3 GLN 90 -6.812 45.631 66.420 685 HE21 GLN 90 HE21 GLN 90 -9.066 45.976 66.485 686 HE22 GLN 90 HE22 GLN 90 -9.939 45.886 67.972 687 H GLU 91 H GLU 91 -5.594 46.975 70.798 688 HA GLU 91 HA GLU 91 -7.263 49.283 70.337 689 HB2 GLU 91 HB2 GLU 91 -7.517 47.092 71.933 690 HB3 GLU 91 HB3 GLU 91 -6.965 48.289 73.096 691 HG2 GLU 91 HG2 GLU 91 -8.808 49.780 72.324 692 HG3 GLU 91 HG3 GLU 91 -9.404 48.443 71.344 693 H TYR 92 H TYR 92 -4.550 48.485 72.496 694 HA TYR 92 HA TYR 92 -4.276 50.828 73.876 695 HD1 TYR 92 HD1 TYR 92 -2.577 51.537 75.487 696 HD2 TYR 92 HD2 TYR 92 -2.500 47.308 75.011 697 HE1 TYR 92 HE1 TYR 92 -2.573 51.267 77.931 698 HE2 TYR 92 HE2 TYR 92 -2.497 47.028 77.454 699 HH TYR 92 HH TYR 92 -2.956 48.146 79.437 700 HB2 TYR 92 HB2 TYR 92 -2.518 48.628 73.129 701 HB3 TYR 92 HB3 TYR 92 -1.645 50.147 73.298 702 H THR 93 H THR 93 -2.482 50.098 70.878 703 HA THR 93 HA THR 93 -1.310 52.512 70.412 704 HB THR 93 HB THR 93 -0.909 50.609 68.956 705 HG1 THR 93 HG1 THR 93 -0.410 51.974 67.420 706 HG21 THR 93 HG21 THR 93 -3.366 51.027 67.367 707 HG22 THR 93 HG22 THR 93 -3.571 50.214 68.919 708 HG23 THR 93 HG23 THR 93 -2.476 49.544 67.709 709 H ALA 94 H ALA 94 -4.681 51.694 70.022 710 HA ALA 94 HA ALA 94 -5.360 54.066 68.552 711 HB1 ALA 94 HB1 ALA 94 -6.686 51.651 69.374 712 HB2 ALA 94 HB2 ALA 94 -7.687 53.060 69.729 713 HB3 ALA 94 HB3 ALA 94 -7.109 52.780 68.087 714 H MET 95 H MET 95 -5.577 53.015 71.924 715 HA MET 95 HA MET 95 -7.019 55.195 72.925 716 HB2 MET 95 HB2 MET 95 -5.697 52.916 73.978 717 HB3 MET 95 HB3 MET 95 -5.112 54.315 74.870 718 HG2 MET 95 HG2 MET 95 -7.265 54.880 75.612 719 HG3 MET 95 HG3 MET 95 -8.035 53.814 74.439 720 HE1 MET 95 HE1 MET 95 -9.237 53.756 76.815 721 HE2 MET 95 HE2 MET 95 -9.060 52.295 77.787 722 HE3 MET 95 HE3 MET 95 -8.137 53.742 78.194 723 H LEU 96 H LEU 96 -3.748 54.934 71.886 724 HA LEU 96 HA LEU 96 -2.648 57.077 73.382 725 HG LEU 96 HG LEU 96 -2.020 54.143 71.851 726 HB2 LEU 96 HB2 LEU 96 -1.684 56.271 70.663 727 HB3 LEU 96 HB3 LEU 96 -0.753 56.877 72.031 728 HD11 LEU 96 HD11 LEU 96 0.896 54.877 71.729 729 HD12 LEU 96 HD12 LEU 96 -0.095 54.548 70.308 730 HD13 LEU 96 HD13 LEU 96 0.173 53.283 71.508 731 HD21 LEU 96 HD21 LEU 96 -0.808 55.672 74.032 732 HD22 LEU 96 HD22 LEU 96 -0.128 54.060 73.813 733 HD23 LEU 96 HD23 LEU 96 -1.860 54.257 74.082 734 H ARG 97 H ARG 97 -3.710 56.901 69.981 735 HA ARG 97 HA ARG 97 -3.519 59.737 69.626 736 HE ARG 97 HE ARG 97 -2.949 57.151 65.482 737 HB2 ARG 97 HB2 ARG 97 -4.646 59.258 67.438 738 HB3 ARG 97 HB3 ARG 97 -3.162 58.355 67.708 739 HG2 ARG 97 HG2 ARG 97 -5.197 56.732 68.710 740 HG3 ARG 97 HG3 ARG 97 -5.821 57.397 67.197 741 HD2 ARG 97 HD2 ARG 97 -3.137 56.059 67.505 742 HD3 ARG 97 HD3 ARG 97 -4.593 55.254 66.921 743 HH11 ARG 97 HH11 ARG 97 -6.005 55.495 65.672 744 HH12 ARG 97 HH12 ARG 97 -6.373 55.707 63.993 745 HH21 ARG 97 HH21 ARG 97 -3.421 57.437 63.269 746 HH22 ARG 97 HH22 ARG 97 -4.902 56.810 62.626 747 H GLU 98 H GLU 98 -6.067 57.464 70.416 748 HA GLU 98 HA GLU 98 -8.218 59.306 70.033 749 HB2 GLU 98 HB2 GLU 98 -8.612 56.910 69.910 750 HB3 GLU 98 HB3 GLU 98 -8.077 56.709 71.572 751 HG2 GLU 98 HG2 GLU 98 -10.045 57.353 72.422 752 HG3 GLU 98 HG3 GLU 98 -10.272 58.618 71.214 753 H ARG 99 H ARG 99 -6.581 58.018 72.921 754 HA ARG 99 HA ARG 99 -7.938 59.959 74.605 755 HE ARG 99 HE ARG 99 -8.329 57.011 78.396 756 HB2 ARG 99 HB2 ARG 99 -7.393 57.488 75.197 757 HB3 ARG 99 HB3 ARG 99 -5.777 58.095 75.537 758 HG2 ARG 99 HG2 ARG 99 -6.747 58.194 77.611 759 HG3 ARG 99 HG3 ARG 99 -7.046 59.828 77.015 760 HD2 ARG 99 HD2 ARG 99 -9.182 59.443 77.553 761 HD3 ARG 99 HD3 ARG 99 -9.227 58.458 76.091 762 HH11 ARG 99 HH11 ARG 99 -11.128 58.115 76.645 763 HH12 ARG 99 HH12 ARG 99 -12.165 56.870 77.257 764 HH21 ARG 99 HH21 ARG 99 -9.684 55.365 79.209 765 HH22 ARG 99 HH22 ARG 99 -11.343 55.307 78.717 766 H PHE 100 H PHE 100 -4.576 59.100 73.797 767 HA PHE 100 HA PHE 100 -2.623 60.264 74.020 768 HD1 PHE 100 HD1 PHE 100 -6.042 61.507 72.035 769 HD2 PHE 100 HD2 PHE 100 -3.702 64.347 74.173 770 HE1 PHE 100 HE1 PHE 100 -7.988 63.007 72.164 771 HE2 PHE 100 HE2 PHE 100 -5.644 65.852 74.306 772 HZ PHE 100 HZ PHE 100 -7.790 65.183 73.301 773 HB2 PHE 100 HB2 PHE 100 -2.663 62.517 73.041 774 HB3 PHE 100 HB3 PHE 100 -3.602 61.384 72.073 775 H ALA 101 H ALA 101 -4.173 60.026 76.435 776 HA ALA 101 HA ALA 101 -4.651 62.113 78.029 777 HB1 ALA 101 HB1 ALA 101 -2.785 60.200 79.274 778 HB2 ALA 101 HB2 ALA 101 -4.392 60.718 79.783 779 HB3 ALA 101 HB3 ALA 101 -4.217 59.506 78.513 780 H GLY 102 H GLY 102 -1.338 60.779 77.937 781 HA2 GLY 102 HA2 GLY 102 -0.228 63.458 77.753 782 HA3 GLY 102 HA3 GLY 102 0.066 62.629 79.276 783 H LEU 103 H LEU 103 -0.080 61.079 76.120 784 HA LEU 103 HA LEU 103 2.525 59.921 76.551 785 HG LEU 103 HG LEU 103 -0.309 60.538 74.329 786 HB2 LEU 103 HB2 LEU 103 2.086 58.784 74.389 787 HB3 LEU 103 HB3 LEU 103 0.846 58.514 75.610 788 HD11 LEU 103 HD11 LEU 103 1.670 60.717 72.787 789 HD12 LEU 103 HD12 LEU 103 0.102 60.549 71.998 790 HD13 LEU 103 HD13 LEU 103 1.185 59.162 72.111 791 HD21 LEU 103 HD21 LEU 103 -0.323 57.601 73.831 792 HD22 LEU 103 HD22 LEU 103 -1.268 58.653 72.777 793 HD23 LEU 103 HD23 LEU 103 -1.577 58.637 74.514 794 H ASP 104 H ASP 104 1.326 62.723 75.084 795 HA ASP 104 HA ASP 104 3.436 62.956 73.113 796 HB2 ASP 104 HB2 ASP 104 1.215 64.812 73.975 797 HB3 ASP 104 HB3 ASP 104 2.423 65.255 72.772 798 H THR 105 H THR 105 4.437 65.342 73.122 799 HA THR 105 HA THR 105 6.233 66.453 74.027 800 HB THR 105 HB THR 105 4.049 67.549 74.933 801 HG1 THR 105 HG1 THR 105 6.192 68.518 74.821 802 HG21 THR 105 HG21 THR 105 4.853 67.356 77.649 803 HG22 THR 105 HG22 THR 105 4.640 65.719 77.032 804 HG23 THR 105 HG23 THR 105 3.317 66.880 76.926 805 H ILE 106 H ILE 106 6.232 63.603 74.596 806 HA ILE 106 HA ILE 106 6.726 62.772 77.128 807 HB ILE 106 HB ILE 106 8.321 62.076 74.662 808 HG12 ILE 106 HG12 ILE 106 5.889 61.579 74.589 809 HG13 ILE 106 HG13 ILE 106 6.879 60.124 74.549 810 HG21 ILE 106 HG21 ILE 106 8.216 60.636 77.309 811 HG22 ILE 106 HG22 ILE 106 9.060 60.089 75.862 812 HG23 ILE 106 HG23 ILE 106 9.588 61.553 76.690 813 HD11 ILE 106 HD11 ILE 106 4.955 59.830 75.987 814 HD12 ILE 106 HD12 ILE 106 6.446 59.773 76.927 815 HD13 ILE 106 HD13 ILE 106 5.441 61.223 76.951 Start of MODEL 17 1 H LYS 1 H LYS 1 15.947 90.991 62.570 2 HA LYS 1 HA LYS 1 14.436 90.422 64.883 3 HB2 LYS 1 HB2 LYS 1 13.940 90.872 62.078 4 HB3 LYS 1 HB3 LYS 1 12.968 89.524 62.655 5 HG2 LYS 1 HG2 LYS 1 12.033 90.914 64.408 6 HG3 LYS 1 HG3 LYS 1 13.048 92.266 63.900 7 HD2 LYS 1 HD2 LYS 1 11.905 92.449 61.822 8 HD3 LYS 1 HD3 LYS 1 11.057 90.923 62.081 9 HE2 LYS 1 HE2 LYS 1 9.436 92.480 62.616 10 HE3 LYS 1 HE3 LYS 1 10.119 92.099 64.195 11 HZ1 LYS 1 HZ1 LYS 1 9.770 94.559 63.468 12 HZ2 LYS 1 HZ2 LYS 1 11.241 94.338 62.662 13 HZ3 LYS 1 HZ3 LYS 1 11.153 94.120 64.338 14 H GLN 2 H GLN 2 15.589 88.353 62.241 15 HA GLN 2 HA GLN 2 14.453 85.978 63.390 16 HB2 GLN 2 HB2 GLN 2 15.686 84.808 61.586 17 HB3 GLN 2 HB3 GLN 2 14.679 86.120 60.987 18 HG2 GLN 2 HG2 GLN 2 17.507 86.744 61.601 19 HG3 GLN 2 HG3 GLN 2 17.178 85.750 60.182 20 HE21 GLN 2 HE21 GLN 2 15.464 86.633 58.713 21 HE22 GLN 2 HE22 GLN 2 15.475 88.337 58.427 22 H GLN 3 H GLN 3 15.705 84.121 64.073 23 HA GLN 3 HA GLN 3 18.413 84.708 65.013 24 HB2 GLN 3 HB2 GLN 3 17.961 83.934 67.245 25 HB3 GLN 3 HB3 GLN 3 16.823 85.218 66.860 26 HG2 GLN 3 HG2 GLN 3 15.030 83.831 66.876 27 HG3 GLN 3 HG3 GLN 3 15.962 82.438 66.328 28 HE21 GLN 3 HE21 GLN 3 14.492 83.920 68.941 29 HE22 GLN 3 HE22 GLN 3 15.173 82.959 70.205 30 H LEU 4 H LEU 4 19.661 82.820 65.528 31 HA LEU 4 HA LEU 4 19.327 80.713 63.710 32 HG LEU 4 HG LEU 4 20.303 80.251 67.189 33 HB2 LEU 4 HB2 LEU 4 21.213 79.698 64.738 34 HB3 LEU 4 HB3 LEU 4 21.474 81.442 64.739 35 HD11 LEU 4 HD11 LEU 4 22.829 79.370 66.044 36 HD12 LEU 4 HD12 LEU 4 21.900 78.709 67.389 37 HD13 LEU 4 HD13 LEU 4 23.005 80.057 67.659 38 HD21 LEU 4 HD21 LEU 4 22.022 81.893 68.144 39 HD22 LEU 4 HD22 LEU 4 20.634 82.562 67.287 40 HD23 LEU 4 HD23 LEU 4 22.202 82.466 66.485 41 H GLN 5 H GLN 5 19.227 78.370 64.335 42 HA GLN 5 HA GLN 5 17.307 77.948 66.528 43 HB2 GLN 5 HB2 GLN 5 16.807 77.629 63.800 44 HB3 GLN 5 HB3 GLN 5 17.064 75.995 64.397 45 HG2 GLN 5 HG2 GLN 5 15.190 76.011 65.671 46 HG3 GLN 5 HG3 GLN 5 15.280 77.745 65.979 47 HE21 GLN 5 HE21 GLN 5 12.996 77.737 65.531 48 HE22 GLN 5 HE22 GLN 5 12.443 77.786 63.895 49 H GLU 6 H GLU 6 17.811 76.393 67.944 50 HA GLU 6 HA GLU 6 20.218 74.812 67.430 51 HB2 GLU 6 HB2 GLU 6 20.406 74.526 69.772 52 HB3 GLU 6 HB3 GLU 6 19.939 76.203 69.533 53 HG2 GLU 6 HG2 GLU 6 17.572 74.665 69.794 54 HG3 GLU 6 HG3 GLU 6 18.670 74.214 71.098 55 H HIS 7 H HIS 7 20.221 72.550 68.319 56 HA HIS 7 HA HIS 7 17.763 71.201 67.459 57 HD1 HIS 7 HD1 HIS 7 20.738 67.597 67.468 58 HD2 HIS 7 HD2 HIS 7 21.360 71.158 69.517 59 HE1 HIS 7 HE1 HIS 7 22.523 67.093 69.168 60 HB2 HIS 7 HB2 HIS 7 19.055 69.355 66.874 61 HB3 HIS 7 HB3 HIS 7 20.127 70.700 66.494 62 H ALA 8 H ALA 8 17.478 68.981 68.626 63 HA ALA 8 HA ALA 8 17.960 69.267 71.507 64 HB1 ALA 8 HB1 ALA 8 15.325 69.082 70.136 65 HB2 ALA 8 HB2 ALA 8 15.527 68.294 71.701 66 HB3 ALA 8 HB3 ALA 8 15.802 70.029 71.545 67 HA PRO 9 HA PRO 9 19.082 65.019 71.244 68 HB2 PRO 9 HB2 PRO 9 18.761 64.322 73.848 69 HB3 PRO 9 HB3 PRO 9 20.106 65.318 73.279 70 HG2 PRO 9 HG2 PRO 9 17.549 66.157 74.590 71 HG3 PRO 9 HG3 PRO 9 19.199 66.739 74.881 72 HD2 PRO 9 HD2 PRO 9 17.419 68.106 73.366 73 HD3 PRO 9 HD3 PRO 9 19.165 68.135 73.047 74 H SER 10 H SER 10 18.166 62.999 71.071 75 HA SER 10 HA SER 10 15.673 62.289 72.243 76 HG SER 10 HG SER 10 15.038 62.923 68.283 77 HB2 SER 10 HB2 SER 10 14.289 62.209 70.254 78 HB3 SER 10 HB3 SER 10 14.888 63.854 70.464 79 H HIS 11 H HIS 11 14.922 60.142 71.503 80 HA HIS 11 HA HIS 11 17.103 58.346 71.276 81 HD1 HIS 11 HD1 HIS 11 16.848 58.041 73.527 82 HD2 HIS 11 HD2 HIS 11 14.746 54.741 72.130 83 HE1 HIS 11 HE1 HIS 11 17.427 56.162 75.095 84 HB2 HIS 11 HB2 HIS 11 14.285 58.188 71.794 85 HB3 HIS 11 HB3 HIS 11 14.717 56.989 70.579 86 H ALA 12 H ALA 12 16.857 56.467 69.577 87 HA ALA 12 HA ALA 12 16.322 57.596 66.918 88 HB1 ALA 12 HB1 ALA 12 18.862 57.408 67.859 89 HB2 ALA 12 HB2 ALA 12 18.680 55.854 67.045 90 HB3 ALA 12 HB3 ALA 12 18.419 57.355 66.154 91 H ASN 13 H ASN 13 15.352 56.226 65.531 92 HA ASN 13 HA ASN 13 14.116 53.902 66.400 93 HB2 ASN 13 HB2 ASN 13 14.844 54.628 63.553 94 HB3 ASN 13 HB3 ASN 13 13.620 53.459 64.038 95 HD21 ASN 13 HD21 ASN 13 14.316 56.718 63.417 96 HD22 ASN 13 HD22 ASN 13 12.780 57.378 63.853 97 H LEU 14 H LEU 14 17.059 54.226 64.429 98 HA LEU 14 HA LEU 14 17.609 51.537 64.042 99 HG LEU 14 HG LEU 14 19.699 54.020 65.660 100 HB2 LEU 14 HB2 LEU 14 19.860 52.177 63.582 101 HB3 LEU 14 HB3 LEU 14 18.790 53.437 62.972 102 HD11 LEU 14 HD11 LEU 14 21.853 53.916 63.566 103 HD12 LEU 14 HD12 LEU 14 21.635 52.660 64.783 104 HD13 LEU 14 HD13 LEU 14 22.012 54.311 65.278 105 HD21 LEU 14 HD21 LEU 14 18.786 55.408 63.526 106 HD22 LEU 14 HD22 LEU 14 20.521 55.693 63.386 107 HD23 LEU 14 HD23 LEU 14 19.672 56.126 64.871 108 H ASP 15 H ASP 15 17.902 53.458 66.899 109 HA ASP 15 HA ASP 15 19.817 52.242 68.403 110 HB2 ASP 15 HB2 ASP 15 18.309 54.123 69.123 111 HB3 ASP 15 HB3 ASP 15 17.068 52.921 69.464 112 H VAL 16 H VAL 16 16.397 51.225 68.538 113 HA VAL 16 HA VAL 16 17.138 48.678 69.672 114 HB VAL 16 HB VAL 16 14.637 48.219 69.422 115 HG11 VAL 16 HG11 VAL 16 15.439 48.774 71.561 116 HG12 VAL 16 HG12 VAL 16 15.747 50.450 71.102 117 HG13 VAL 16 HG13 VAL 16 14.089 49.873 71.278 118 HG21 VAL 16 HG21 VAL 16 13.933 51.007 69.302 119 HG22 VAL 16 HG22 VAL 16 14.779 50.515 67.834 120 HG23 VAL 16 HG23 VAL 16 13.326 49.656 68.345 121 H LYS 17 H LYS 17 16.310 46.632 68.743 122 HA LYS 17 HA LYS 17 16.870 46.560 65.875 123 HB2 LYS 17 HB2 LYS 17 16.549 44.220 67.755 124 HB3 LYS 17 HB3 LYS 17 17.270 44.210 66.151 125 HG2 LYS 17 HG2 LYS 17 19.259 44.904 66.905 126 HG3 LYS 17 HG3 LYS 17 18.543 46.057 68.032 127 HD2 LYS 17 HD2 LYS 17 18.670 44.620 69.747 128 HD3 LYS 17 HD3 LYS 17 18.075 43.273 68.773 129 HE2 LYS 17 HE2 LYS 17 20.747 44.071 67.991 130 HE3 LYS 17 HE3 LYS 17 20.669 43.648 69.700 131 HZ1 LYS 17 HZ1 LYS 17 20.622 41.520 69.146 132 HZ2 LYS 17 HZ2 LYS 17 20.740 41.927 67.508 133 HZ3 LYS 17 HZ3 LYS 17 19.220 41.748 68.228 134 H TRP 18 H TRP 18 14.661 44.739 68.003 135 HA TRP 18 HA TRP 18 12.440 45.360 66.218 136 HD1 TRP 18 HD1 TRP 18 15.588 42.612 66.758 137 HE1 TRP 18 HE1 TRP 18 17.041 42.301 64.658 138 HE3 TRP 18 HE3 TRP 18 12.036 43.468 63.182 139 HZ2 TRP 18 HZ2 TRP 18 16.724 42.405 61.853 140 HZ3 TRP 18 HZ3 TRP 18 12.693 43.344 60.814 141 HH2 TRP 18 HH2 TRP 18 14.989 42.823 60.166 142 HB2 TRP 18 HB2 TRP 18 12.798 42.486 66.972 143 HB3 TRP 18 HB3 TRP 18 11.932 43.185 65.607 144 H LEU 19 H LEU 19 10.381 44.191 67.139 145 HA LEU 19 HA LEU 19 9.801 45.283 69.613 146 HG LEU 19 HG LEU 19 7.674 45.866 68.730 147 HB2 LEU 19 HB2 LEU 19 8.479 43.674 67.685 148 HB3 LEU 19 HB3 LEU 19 8.201 42.956 69.270 149 HD11 LEU 19 HD11 LEU 19 6.148 43.517 67.854 150 HD12 LEU 19 HD12 LEU 19 6.103 45.185 67.282 151 HD13 LEU 19 HD13 LEU 19 5.214 44.727 68.734 152 HD21 LEU 19 HD21 LEU 19 5.962 45.284 70.600 153 HD22 LEU 19 HD22 LEU 19 7.657 45.535 71.015 154 HD23 LEU 19 HD23 LEU 19 7.016 43.898 70.882 155 H ASP 20 H ASP 20 11.032 42.082 68.819 156 HA ASP 20 HA ASP 20 11.311 41.541 71.703 157 HB2 ASP 20 HB2 ASP 20 10.072 39.982 69.712 158 HB3 ASP 20 HB3 ASP 20 11.588 39.168 70.091 159 H GLY 21 H GLY 21 13.146 39.876 72.094 160 HA2 GLY 21 HA2 GLY 21 15.428 39.607 72.192 161 HA3 GLY 21 HA3 GLY 21 15.323 39.544 70.439 162 H LEU 22 H LEU 22 16.316 41.362 73.160 163 HA LEU 22 HA LEU 22 17.640 43.270 71.426 164 HG LEU 22 HG LEU 22 16.900 45.153 70.773 165 HB2 LEU 22 HB2 LEU 22 15.198 43.938 72.610 166 HB3 LEU 22 HB3 LEU 22 16.427 44.726 73.598 167 HD11 LEU 22 HD11 LEU 22 14.154 45.449 71.768 168 HD12 LEU 22 HD12 LEU 22 14.760 45.314 70.118 169 HD13 LEU 22 HD13 LEU 22 14.813 46.867 70.952 170 HD21 LEU 22 HD21 LEU 22 17.816 46.394 72.778 171 HD22 LEU 22 HD22 LEU 22 16.229 47.152 72.918 172 HD23 LEU 22 HD23 LEU 22 17.195 47.393 71.463 173 H ARG 23 H ARG 23 19.196 44.626 72.616 174 HA ARG 23 HA ARG 23 20.013 43.432 75.179 175 HE ARG 23 HE ARG 23 24.046 45.613 72.892 176 HB2 ARG 23 HB2 ARG 23 22.392 43.745 74.426 177 HB3 ARG 23 HB3 ARG 23 21.501 42.496 73.565 178 HG2 ARG 23 HG2 ARG 23 21.234 43.893 71.656 179 HG3 ARG 23 HG3 ARG 23 21.863 45.294 72.525 180 HD2 ARG 23 HD2 ARG 23 23.664 42.984 72.496 181 HD3 ARG 23 HD3 ARG 23 23.326 43.655 70.902 182 HH11 ARG 23 HH11 ARG 23 25.202 43.420 70.449 183 HH12 ARG 23 HH12 ARG 23 26.685 44.278 70.195 184 HH21 ARG 23 HH21 ARG 23 25.995 46.752 72.566 185 HH22 ARG 23 HH22 ARG 23 27.136 46.173 71.400 186 H ALA 24 H ALA 24 20.256 44.880 76.745 187 HA ALA 24 HA ALA 24 20.358 46.877 77.838 188 HB1 ALA 24 HB1 ALA 24 22.025 48.531 76.619 189 HB2 ALA 24 HB2 ALA 24 22.595 47.089 77.460 190 HB3 ALA 24 HB3 ALA 24 22.415 47.074 75.705 191 H GLY 25 H GLY 25 18.200 46.573 75.970 192 HA2 GLY 25 HA2 GLY 25 17.631 49.414 75.528 193 HA3 GLY 25 HA3 GLY 25 17.474 48.319 74.162 194 H SER 26 H SER 26 16.564 48.049 77.595 195 HA SER 26 HA SER 26 13.831 47.398 76.701 196 HG SER 26 HG SER 26 15.619 45.766 79.959 197 HB2 SER 26 HB2 SER 26 13.594 45.960 78.599 198 HB3 SER 26 HB3 SER 26 15.140 45.562 77.850 199 H MET 27 H MET 27 15.750 49.595 78.427 200 HA MET 27 HA MET 27 14.274 50.505 80.520 201 HB2 MET 27 HB2 MET 27 15.296 52.639 80.236 202 HB3 MET 27 HB3 MET 27 16.456 51.440 79.680 203 HG2 MET 27 HG2 MET 27 14.632 52.670 77.686 204 HG3 MET 27 HG3 MET 27 15.968 53.631 78.315 205 HE1 MET 27 HE1 MET 27 16.029 51.959 74.725 206 HE2 MET 27 HE2 MET 27 15.575 50.416 75.450 207 HE3 MET 27 HE3 MET 27 14.660 51.873 75.835 208 H ALA 28 H ALA 28 13.400 50.591 77.192 209 HA ALA 28 HA ALA 28 11.066 52.273 77.832 210 HB1 ALA 28 HB1 ALA 28 12.569 51.929 75.250 211 HB2 ALA 28 HB2 ALA 28 10.973 52.674 75.340 212 HB3 ALA 28 HB3 ALA 28 12.336 53.402 76.189 213 H LEU 29 H LEU 29 9.443 50.911 78.298 214 HA LEU 29 HA LEU 29 9.150 48.376 76.953 215 HG LEU 29 HG LEU 29 7.072 47.268 79.725 216 HB2 LEU 29 HB2 LEU 29 8.541 49.077 79.410 217 HB3 LEU 29 HB3 LEU 29 7.018 49.562 78.667 218 HD11 LEU 29 HD11 LEU 29 6.430 47.093 76.808 219 HD12 LEU 29 HD12 LEU 29 5.503 48.146 77.876 220 HD13 LEU 29 HD13 LEU 29 5.566 46.411 78.186 221 HD21 LEU 29 HD21 LEU 29 8.401 46.280 77.256 222 HD22 LEU 29 HD22 LEU 29 8.303 45.552 78.859 223 HD23 LEU 29 HD23 LEU 29 9.413 46.892 78.566 224 H GLN 30 H GLN 30 7.582 51.530 76.906 225 HA GLN 30 HA GLN 30 5.601 50.638 74.979 226 HB2 GLN 30 HB2 GLN 30 5.804 52.769 76.857 227 HB3 GLN 30 HB3 GLN 30 5.610 53.476 75.259 228 HG2 GLN 30 HG2 GLN 30 3.437 53.128 75.445 229 HG3 GLN 30 HG3 GLN 30 3.759 51.396 75.363 230 HE21 GLN 30 HE21 GLN 30 4.101 50.268 77.374 231 HE22 GLN 30 HE22 GLN 30 3.325 50.830 78.811 232 H GLY 31 H GLY 31 8.766 51.718 74.889 233 HA2 GLY 31 HA2 GLY 31 8.985 53.493 72.814 234 HA3 GLY 31 HA3 GLY 31 10.139 52.198 73.103 235 H ASP 32 H ASP 32 7.797 50.271 72.642 236 HA ASP 32 HA ASP 32 8.374 49.722 69.928 237 HB2 ASP 32 HB2 ASP 32 6.532 48.036 70.137 238 HB3 ASP 32 HB3 ASP 32 7.766 47.912 71.388 239 H VAL 33 H VAL 33 5.310 50.740 71.450 240 HA VAL 33 HA VAL 33 4.193 51.440 68.877 241 HB VAL 33 HB VAL 33 2.207 52.152 70.192 242 HG11 VAL 33 HG11 VAL 33 2.724 49.501 71.328 243 HG12 VAL 33 HG12 VAL 33 1.455 50.037 70.226 244 HG13 VAL 33 HG13 VAL 33 3.055 49.632 69.601 245 HG21 VAL 33 HG21 VAL 33 3.812 51.193 72.561 246 HG22 VAL 33 HG22 VAL 33 3.388 52.870 72.214 247 HG23 VAL 33 HG23 VAL 33 2.122 51.700 72.585 248 H LYS 34 H LYS 34 5.412 53.106 71.736 249 HA LYS 34 HA LYS 34 4.616 55.681 71.341 250 HB2 LYS 34 HB2 LYS 34 5.906 55.307 73.252 251 HB3 LYS 34 HB3 LYS 34 7.198 54.530 72.346 252 HG2 LYS 34 HG2 LYS 34 7.725 56.743 71.333 253 HG3 LYS 34 HG3 LYS 34 6.540 57.465 72.423 254 HD2 LYS 34 HD2 LYS 34 7.943 57.384 74.166 255 HD3 LYS 34 HD3 LYS 34 8.446 55.735 73.790 256 HE2 LYS 34 HE2 LYS 34 9.490 57.508 71.810 257 HE3 LYS 34 HE3 LYS 34 9.884 58.138 73.408 258 HZ1 LYS 34 HZ1 LYS 34 10.303 55.302 73.141 259 HZ2 LYS 34 HZ2 LYS 34 11.325 56.491 73.776 260 HZ3 LYS 34 HZ3 LYS 34 11.273 56.224 72.106 261 H VAL 35 H VAL 35 7.157 53.957 69.611 262 HA VAL 35 HA VAL 35 7.874 56.303 68.065 263 HB VAL 35 HB VAL 35 9.559 54.970 67.041 264 HG11 VAL 35 HG11 VAL 35 10.285 55.586 69.173 265 HG12 VAL 35 HG12 VAL 35 9.206 54.440 69.971 266 HG13 VAL 35 HG13 VAL 35 10.620 53.856 69.093 267 HG21 VAL 35 HG21 VAL 35 7.707 52.872 67.363 268 HG22 VAL 35 HG22 VAL 35 9.264 52.829 66.534 269 HG23 VAL 35 HG23 VAL 35 9.162 52.405 68.244 270 H TRP 36 H TRP 36 5.669 53.702 67.853 271 HA TRP 36 HA TRP 36 5.398 53.080 65.230 272 HD1 TRP 36 HD1 TRP 36 2.658 54.170 63.953 273 HE1 TRP 36 HE1 TRP 36 1.098 52.598 62.642 274 HE3 TRP 36 HE3 TRP 36 2.654 50.181 67.151 275 HZ2 TRP 36 HZ2 TRP 36 0.010 50.008 62.927 276 HZ3 TRP 36 HZ3 TRP 36 1.327 48.196 66.558 277 HH2 TRP 36 HH2 TRP 36 0.033 48.114 64.489 278 HB2 TRP 36 HB2 TRP 36 3.935 52.254 67.072 279 HB3 TRP 36 HB3 TRP 36 3.074 53.790 67.031 280 H MET 37 H MET 37 3.771 55.874 66.745 281 HA MET 37 HA MET 37 2.928 56.961 64.252 282 HB2 MET 37 HB2 MET 37 2.403 58.996 65.640 283 HB3 MET 37 HB3 MET 37 1.641 57.506 66.181 284 HG2 MET 37 HG2 MET 37 3.952 57.497 67.618 285 HG3 MET 37 HG3 MET 37 3.591 59.219 67.520 286 HE1 MET 37 HE1 MET 37 0.570 56.114 69.024 287 HE2 MET 37 HE2 MET 37 1.599 56.002 67.596 288 HE3 MET 37 HE3 MET 37 2.282 55.725 69.198 289 H GLN 38 H GLN 38 5.400 58.012 66.599 290 HA GLN 38 HA GLN 38 6.439 60.156 65.228 291 HB2 GLN 38 HB2 GLN 38 8.076 60.142 66.786 292 HB3 GLN 38 HB3 GLN 38 7.083 58.898 67.532 293 HG2 GLN 38 HG2 GLN 38 9.061 57.811 67.554 294 HG3 GLN 38 HG3 GLN 38 8.521 57.336 65.945 295 HE21 GLN 38 HE21 GLN 38 11.217 57.486 66.931 296 HE22 GLN 38 HE22 GLN 38 12.051 58.629 65.940 297 H ASN 39 H ASN 39 6.740 56.789 64.502 298 HA ASN 39 HA ASN 39 9.040 56.996 62.823 299 HB2 ASN 39 HB2 ASN 39 7.146 54.910 63.628 300 HB3 ASN 39 HB3 ASN 39 7.695 54.749 61.963 301 HD21 ASN 39 HD21 ASN 39 8.239 53.050 64.245 302 HD22 ASN 39 HD22 ASN 39 9.957 53.014 64.428 303 H LEU 40 H LEU 40 5.551 56.731 62.177 304 HA LEU 40 HA LEU 40 5.930 57.161 59.350 305 HG LEU 40 HG LEU 40 3.855 56.024 62.148 306 HB2 LEU 40 HB2 LEU 40 3.217 57.501 60.305 307 HB3 LEU 40 HB3 LEU 40 3.869 56.345 59.146 308 HD11 LEU 40 HD11 LEU 40 2.434 53.975 60.874 309 HD12 LEU 40 HD12 LEU 40 1.884 55.480 60.136 310 HD13 LEU 40 HD13 LEU 40 1.787 55.270 61.883 311 HD21 LEU 40 HD21 LEU 40 4.746 53.838 61.781 312 HD22 LEU 40 HD22 LEU 40 5.798 54.995 60.964 313 HD23 LEU 40 HD23 LEU 40 4.651 54.033 60.030 314 H GLU 41 H GLU 41 5.539 59.112 62.113 315 HA GLU 41 HA GLU 41 4.096 61.288 61.379 316 HB2 GLU 41 HB2 GLU 41 5.765 60.775 63.427 317 HB3 GLU 41 HB3 GLU 41 6.756 61.917 62.529 318 HG2 GLU 41 HG2 GLU 41 3.909 62.554 63.183 319 HG3 GLU 41 HG3 GLU 41 5.187 62.792 64.373 320 H ASP 42 H ASP 42 7.001 60.175 59.916 321 HA ASP 42 HA ASP 42 7.690 62.666 58.654 322 HB2 ASP 42 HB2 ASP 42 9.235 60.649 59.229 323 HB3 ASP 42 HB3 ASP 42 8.652 59.985 57.705 324 H LEU 43 H LEU 43 6.601 59.529 57.345 325 HA LEU 43 HA LEU 43 5.965 60.598 54.794 326 HG LEU 43 HG LEU 43 4.232 58.127 53.596 327 HB2 LEU 43 HB2 LEU 43 6.434 58.144 55.586 328 HB3 LEU 43 HB3 LEU 43 4.689 58.109 55.834 329 HD11 LEU 43 HD11 LEU 43 5.912 58.955 51.890 330 HD12 LEU 43 HD12 LEU 43 6.831 59.594 53.252 331 HD13 LEU 43 HD13 LEU 43 5.194 60.173 52.945 332 HD21 LEU 43 HD21 LEU 43 5.441 56.090 54.010 333 HD22 LEU 43 HD22 LEU 43 6.985 56.908 53.766 334 HD23 LEU 43 HD23 LEU 43 5.877 56.693 52.410 335 H HIS 44 H HIS 44 4.313 60.555 57.786 336 HA HIS 44 HA HIS 44 1.662 60.409 57.253 337 HD1 HIS 44 HD1 HIS 44 0.066 63.218 57.993 338 HD2 HIS 44 HD2 HIS 44 0.758 60.546 61.099 339 HE1 HIS 44 HE1 HIS 44 -2.105 63.076 59.254 340 HB2 HIS 44 HB2 HIS 44 2.829 61.027 59.451 341 HB3 HIS 44 HB3 HIS 44 2.759 62.693 58.885 342 H THR 45 H THR 45 3.807 63.072 56.422 343 HA THR 45 HA THR 45 2.049 65.050 55.711 344 HB THR 45 HB THR 45 4.539 64.279 54.174 345 HG1 THR 45 HG1 THR 45 4.200 65.231 56.668 346 HG21 THR 45 HG21 THR 45 3.567 67.080 54.418 347 HG22 THR 45 HG22 THR 45 2.740 66.015 53.283 348 HG23 THR 45 HG23 THR 45 4.471 66.308 53.116 349 H ARG 46 H ARG 46 2.999 62.226 53.797 350 HA ARG 46 HA ARG 46 1.002 62.964 51.771 351 HE ARG 46 HE ARG 46 3.201 63.947 47.848 352 HB2 ARG 46 HB2 ARG 46 3.568 61.520 51.708 353 HB3 ARG 46 HB3 ARG 46 2.293 60.792 50.741 354 HG2 ARG 46 HG2 ARG 46 2.289 63.590 50.254 355 HG3 ARG 46 HG3 ARG 46 3.944 62.996 50.109 356 HD2 ARG 46 HD2 ARG 46 3.052 61.178 48.622 357 HD3 ARG 46 HD3 ARG 46 1.502 62.017 48.643 358 HH11 ARG 46 HH11 ARG 46 2.674 60.680 46.768 359 HH12 ARG 46 HH12 ARG 46 3.131 61.009 45.130 360 HH21 ARG 46 HH21 ARG 46 3.804 64.394 45.695 361 HH22 ARG 46 HH22 ARG 46 3.774 63.123 44.521 362 H ARG 47 H ARG 47 2.224 59.991 53.328 363 HA ARG 47 HA ARG 47 -0.459 59.140 53.954 364 HE ARG 47 HE ARG 47 -2.400 56.343 50.410 365 HB2 ARG 47 HB2 ARG 47 0.248 58.485 51.471 366 HB3 ARG 47 HB3 ARG 47 1.043 57.162 52.313 367 HG2 ARG 47 HG2 ARG 47 -1.370 57.035 53.469 368 HG3 ARG 47 HG3 ARG 47 -1.825 57.697 51.899 369 HD2 ARG 47 HD2 ARG 47 0.073 55.574 51.555 370 HD3 ARG 47 HD3 ARG 47 -1.273 55.019 52.550 371 HH11 ARG 47 HH11 ARG 47 -0.331 53.585 50.890 372 HH12 ARG 47 HH12 ARG 47 -0.894 52.752 49.479 373 HH21 ARG 47 HH21 ARG 47 -3.150 55.258 48.549 374 HH22 ARG 47 HH22 ARG 47 -2.497 53.706 48.147 375 HA PRO 48 HA PRO 48 2.342 57.679 57.167 376 HB2 PRO 48 HB2 PRO 48 0.384 57.299 59.008 377 HB3 PRO 48 HB3 PRO 48 1.078 58.886 58.658 378 HG2 PRO 48 HG2 PRO 48 -1.477 57.677 57.673 379 HG3 PRO 48 HG3 PRO 48 -1.168 59.326 58.247 380 HD2 PRO 48 HD2 PRO 48 -1.311 58.701 55.615 381 HD3 PRO 48 HD3 PRO 48 -0.258 59.989 56.235 382 H ASP 49 H ASP 49 -0.864 56.184 56.676 383 HA ASP 49 HA ASP 49 -0.370 53.688 57.706 384 HB2 ASP 49 HB2 ASP 49 -2.570 54.499 56.858 385 HB3 ASP 49 HB3 ASP 49 -1.991 54.244 55.214 386 H GLU 50 H GLU 50 0.941 55.096 54.859 387 HA GLU 50 HA GLU 50 1.668 52.606 53.605 388 HB2 GLU 50 HB2 GLU 50 1.462 54.194 51.973 389 HB3 GLU 50 HB3 GLU 50 2.027 55.494 53.014 390 HG2 GLU 50 HG2 GLU 50 4.273 54.971 52.649 391 HG3 GLU 50 HG3 GLU 50 3.888 53.371 52.016 392 H PHE 51 H PHE 51 3.271 55.077 55.552 393 HA PHE 51 HA PHE 51 5.876 53.959 55.344 394 HD1 PHE 51 HD1 PHE 51 6.324 54.571 59.100 395 HD2 PHE 51 HD2 PHE 51 7.713 56.616 55.635 396 HE1 PHE 51 HE1 PHE 51 8.592 54.636 60.052 397 HE2 PHE 51 HE2 PHE 51 9.984 56.684 56.582 398 HZ PHE 51 HZ PHE 51 10.425 55.694 58.793 399 HB2 PHE 51 HB2 PHE 51 5.412 56.326 55.977 400 HB3 PHE 51 HB3 PHE 51 4.780 55.755 57.519 401 H THR 52 H THR 52 3.105 53.121 57.152 402 HA THR 52 HA THR 52 3.870 52.129 59.528 403 HB THR 52 HB THR 52 2.280 50.256 59.238 404 HG1 THR 52 HG1 THR 52 1.153 50.419 57.051 405 HG21 THR 52 HG21 THR 52 0.317 51.746 58.431 406 HG22 THR 52 HG22 THR 52 1.532 53.022 58.356 407 HG23 THR 52 HG23 THR 52 1.197 52.210 59.886 408 H ALA 53 H ALA 53 4.949 50.986 56.439 409 HA ALA 53 HA ALA 53 5.799 48.426 56.933 410 HB1 ALA 53 HB1 ALA 53 6.933 50.619 55.242 411 HB2 ALA 53 HB2 ALA 53 7.749 49.059 55.355 412 HB3 ALA 53 HB3 ALA 53 6.095 49.147 54.750 413 H ARG 54 H ARG 54 6.916 51.311 58.394 414 HA ARG 54 HA ARG 54 9.507 50.318 59.149 415 HE ARG 54 HE ARG 54 12.606 51.861 61.022 416 HB2 ARG 54 HB2 ARG 54 8.836 52.770 58.849 417 HB3 ARG 54 HB3 ARG 54 8.053 52.632 60.417 418 HG2 ARG 54 HG2 ARG 54 10.120 53.518 60.943 419 HG3 ARG 54 HG3 ARG 54 10.349 51.794 61.239 420 HD2 ARG 54 HD2 ARG 54 11.165 51.732 58.781 421 HD3 ARG 54 HD3 ARG 54 11.352 53.475 58.975 422 HH11 ARG 54 HH11 ARG 54 12.968 53.497 57.971 423 HH12 ARG 54 HH12 ARG 54 14.692 53.616 58.090 424 HH21 ARG 54 HH21 ARG 54 14.876 52.010 61.191 425 HH22 ARG 54 HH22 ARG 54 15.776 52.769 59.922 426 H LEU 55 H LEU 55 6.728 51.328 61.149 427 HA LEU 55 HA LEU 55 7.625 49.918 63.436 428 HG LEU 55 HG LEU 55 3.626 51.347 63.513 429 HB2 LEU 55 HB2 LEU 55 5.825 50.801 64.506 430 HB3 LEU 55 HB3 LEU 55 5.923 51.904 63.135 431 HD11 LEU 55 HD11 LEU 55 4.874 51.121 61.111 432 HD12 LEU 55 HD12 LEU 55 3.127 51.088 61.345 433 HD13 LEU 55 HD13 LEU 55 4.027 49.577 61.213 434 HD21 LEU 55 HD21 LEU 55 3.879 48.485 62.903 435 HD22 LEU 55 HD22 LEU 55 2.834 49.315 64.056 436 HD23 LEU 55 HD23 LEU 55 4.512 48.974 64.477 437 H GLN 56 H GLN 56 5.932 48.948 60.629 438 HA GLN 56 HA GLN 56 4.447 46.786 61.685 439 HB2 GLN 56 HB2 GLN 56 3.954 47.718 59.490 440 HB3 GLN 56 HB3 GLN 56 5.540 47.231 58.903 441 HG2 GLN 56 HG2 GLN 56 4.892 44.864 59.338 442 HG3 GLN 56 HG3 GLN 56 3.266 45.437 59.710 443 HE21 GLN 56 HE21 GLN 56 1.876 45.723 58.093 444 HE22 GLN 56 HE22 GLN 56 2.269 45.639 56.413 445 H GLN 57 H GLN 57 7.771 47.145 60.677 446 HA GLN 57 HA GLN 57 8.457 44.441 60.401 447 HB2 GLN 57 HB2 GLN 57 10.006 46.927 61.036 448 HB3 GLN 57 HB3 GLN 57 10.797 45.358 61.114 449 HG2 GLN 57 HG2 GLN 57 10.375 44.945 58.808 450 HG3 GLN 57 HG3 GLN 57 9.331 46.361 58.689 451 HE21 GLN 57 HE21 GLN 57 12.604 45.663 59.879 452 HE22 GLN 57 HE22 GLN 57 13.368 46.973 59.052 453 H SER 58 H SER 58 8.043 46.455 63.216 454 HA SER 58 HA SER 58 9.247 44.504 64.996 455 HG SER 58 HG SER 58 7.561 47.977 66.253 456 HB2 SER 58 HB2 SER 58 9.032 46.101 66.693 457 HB3 SER 58 HB3 SER 58 9.294 47.089 65.255 458 H THR 59 H THR 59 6.022 45.858 64.382 459 HA THR 59 HA THR 59 4.485 44.644 66.252 460 HB THR 59 HB THR 59 3.797 44.861 63.314 461 HG1 THR 59 HG1 THR 59 4.379 46.811 64.669 462 HG21 THR 59 HG21 THR 59 1.986 43.673 63.918 463 HG22 THR 59 HG22 THR 59 1.467 45.155 64.719 464 HG23 THR 59 HG23 THR 59 2.297 43.899 65.639 465 H ASP 60 H ASP 60 6.236 43.081 63.725 466 HA ASP 60 HA ASP 60 4.817 40.690 63.466 467 HB2 ASP 60 HB2 ASP 60 7.303 41.724 62.590 468 HB3 ASP 60 HB3 ASP 60 7.636 40.168 63.345 469 H ALA 61 H ALA 61 7.614 41.377 65.569 470 HA ALA 61 HA ALA 61 7.800 38.975 66.887 471 HB1 ALA 61 HB1 ALA 61 9.470 40.166 67.749 472 HB2 ALA 61 HB2 ALA 61 8.668 41.690 67.368 473 HB3 ALA 61 HB3 ALA 61 8.296 40.851 68.874 474 H LEU 62 H LEU 62 5.616 41.668 67.583 475 HA LEU 62 HA LEU 62 4.508 40.502 69.934 476 HG LEU 62 HG LEU 62 2.667 41.749 70.917 477 HB2 LEU 62 HB2 LEU 62 4.484 42.933 69.389 478 HB3 LEU 62 HB3 LEU 62 3.294 42.593 68.134 479 HD11 LEU 62 HD11 LEU 62 2.132 44.568 70.070 480 HD12 LEU 62 HD12 LEU 62 3.633 44.142 70.891 481 HD13 LEU 62 HD13 LEU 62 2.083 43.856 71.684 482 HD21 LEU 62 HD21 LEU 62 1.071 42.894 68.628 483 HD22 LEU 62 HD22 LEU 62 0.407 42.416 70.190 484 HD23 LEU 62 HD23 LEU 62 1.130 41.204 69.133 485 H TYR 63 H TYR 63 3.335 40.804 66.588 486 HA TYR 63 HA TYR 63 0.909 39.471 66.918 487 HD1 TYR 63 HD1 TYR 63 3.579 37.910 64.102 488 HD2 TYR 63 HD2 TYR 63 -0.541 38.898 63.721 489 HE1 TYR 63 HE1 TYR 63 3.272 36.007 62.575 490 HE2 TYR 63 HE2 TYR 63 -0.861 36.997 62.193 491 HH TYR 63 HH TYR 63 1.827 34.822 61.377 492 HB2 TYR 63 HB2 TYR 63 0.888 40.367 64.845 493 HB3 TYR 63 HB3 TYR 63 2.633 40.227 64.661 494 H SER 64 H SER 64 4.143 38.253 66.713 495 HA SER 64 HA SER 64 3.340 35.539 66.132 496 HG SER 64 HG SER 64 5.427 34.277 65.481 497 HB2 SER 64 HB2 SER 64 5.777 37.022 66.072 498 HB3 SER 64 HB3 SER 64 6.006 35.639 67.141 499 H HIS 65 H HIS 65 4.463 37.380 68.934 500 HA HIS 65 HA HIS 65 4.737 35.300 70.760 501 HD1 HIS 65 HD1 HIS 65 6.362 36.771 73.466 502 HD2 HIS 65 HD2 HIS 65 2.219 37.084 73.425 503 HE1 HIS 65 HE1 HIS 65 5.632 36.362 75.839 504 HB2 HIS 65 HB2 HIS 65 5.495 37.553 71.265 505 HB3 HIS 65 HB3 HIS 65 3.838 38.149 71.234 506 H LEU 66 H LEU 66 1.864 37.193 69.908 507 HA LEU 66 HA LEU 66 0.160 35.871 71.777 508 HG LEU 66 HG LEU 66 -2.338 36.184 71.089 509 HB2 LEU 66 HB2 LEU 66 -0.178 38.166 70.776 510 HB3 LEU 66 HB3 LEU 66 -0.685 37.351 69.297 511 HD11 LEU 66 HD11 LEU 66 -2.719 37.367 72.935 512 HD12 LEU 66 HD12 LEU 66 -2.740 38.892 72.050 513 HD13 LEU 66 HD13 LEU 66 -1.207 38.206 72.586 514 HD21 LEU 66 HD21 LEU 66 -2.497 38.322 69.121 515 HD22 LEU 66 HD22 LEU 66 -3.750 38.430 70.359 516 HD23 LEU 66 HD23 LEU 66 -3.579 36.957 69.402 517 H GLU 67 H GLU 67 0.265 35.775 68.209 518 HA GLU 67 HA GLU 67 -1.527 33.704 67.824 519 HB2 GLU 67 HB2 GLU 67 -0.309 35.218 66.107 520 HB3 GLU 67 HB3 GLU 67 0.931 33.970 66.117 521 HG2 GLU 67 HG2 GLU 67 -1.734 32.875 65.787 522 HG3 GLU 67 HG3 GLU 67 -1.319 34.038 64.528 523 H ALA 68 H ALA 68 1.854 33.578 68.732 524 HA ALA 68 HA ALA 68 2.021 30.708 68.427 525 HB1 ALA 68 HB1 ALA 68 3.949 32.277 68.051 526 HB2 ALA 68 HB2 ALA 68 4.002 32.512 69.798 527 HB3 ALA 68 HB3 ALA 68 4.286 30.911 69.115 528 H GLN 69 H GLN 69 2.389 32.923 71.205 529 HA GLN 69 HA GLN 69 2.248 30.893 73.154 530 HB2 GLN 69 HB2 GLN 69 3.176 33.212 73.473 531 HB3 GLN 69 HB3 GLN 69 1.520 33.798 73.538 532 HG2 GLN 69 HG2 GLN 69 1.670 31.672 75.362 533 HG3 GLN 69 HG3 GLN 69 3.119 32.647 75.609 534 HE21 GLN 69 HE21 GLN 69 2.924 34.749 76.337 535 HE22 GLN 69 HE22 GLN 69 1.454 35.371 77.000 536 H TRP 70 H TRP 70 -0.197 33.313 72.207 537 HA TRP 70 HA TRP 70 -2.292 32.451 73.768 538 HD1 TRP 70 HD1 TRP 70 -5.332 32.525 71.337 539 HE1 TRP 70 HE1 TRP 70 -7.255 33.579 72.685 540 HE3 TRP 70 HE3 TRP 70 -2.625 35.779 74.204 541 HZ2 TRP 70 HZ2 TRP 70 -7.581 35.533 74.697 542 HZ3 TRP 70 HZ3 TRP 70 -3.818 37.204 75.815 543 HH2 TRP 70 HH2 TRP 70 -6.245 37.083 76.054 544 HB2 TRP 70 HB2 TRP 70 -2.111 34.447 72.098 545 HB3 TRP 70 HB3 TRP 70 -2.795 33.313 70.938 546 H ALA 71 H ALA 71 -1.013 31.021 70.857 547 HA ALA 71 HA ALA 71 -3.051 29.442 69.946 548 HB1 ALA 71 HB1 ALA 71 -0.476 29.643 69.301 549 HB2 ALA 71 HB2 ALA 71 -0.412 28.119 70.185 550 HB3 ALA 71 HB3 ALA 71 -1.477 28.285 68.790 551 H LYS 72 H LYS 72 -0.975 28.860 72.744 552 HA LYS 72 HA LYS 72 -1.575 26.282 73.407 553 HB2 LYS 72 HB2 LYS 72 -0.725 28.662 74.852 554 HB3 LYS 72 HB3 LYS 72 -1.683 27.585 75.860 555 HG2 LYS 72 HG2 LYS 72 -0.139 25.888 75.756 556 HG3 LYS 72 HG3 LYS 72 0.539 26.454 74.229 557 HD2 LYS 72 HD2 LYS 72 0.817 28.348 76.449 558 HD3 LYS 72 HD3 LYS 72 1.676 26.823 76.683 559 HE2 LYS 72 HE2 LYS 72 2.628 27.159 74.363 560 HE3 LYS 72 HE3 LYS 72 1.972 28.794 74.427 561 HZ1 LYS 72 HZ1 LYS 72 3.274 29.057 76.543 562 HZ2 LYS 72 HZ2 LYS 72 4.197 28.938 75.130 563 HZ3 LYS 72 HZ3 LYS 72 4.057 27.606 76.163 564 H GLN 73 H GLN 73 -3.628 29.101 73.741 565 HA GLN 73 HA GLN 73 -5.586 28.109 75.441 566 HB2 GLN 73 HB2 GLN 73 -5.820 30.017 73.113 567 HB3 GLN 73 HB3 GLN 73 -7.126 29.705 74.249 568 HG2 GLN 73 HG2 GLN 73 -4.827 30.326 75.766 569 HG3 GLN 73 HG3 GLN 73 -4.948 31.519 74.474 570 HE21 GLN 73 HE21 GLN 73 -7.058 29.842 76.785 571 HE22 GLN 73 HE22 GLN 73 -7.986 31.237 77.209 572 H HIS 74 H HIS 74 -5.715 28.150 71.874 573 HA HIS 74 HA HIS 74 -7.211 25.627 71.975 574 HD1 HIS 74 HD1 HIS 74 -10.106 25.137 70.314 575 HD2 HIS 74 HD2 HIS 74 -9.685 27.963 73.331 576 HE1 HIS 74 HE1 HIS 74 -12.063 24.777 71.851 577 HB2 HIS 74 HB2 HIS 74 -8.145 28.218 70.964 578 HB3 HIS 74 HB3 HIS 74 -8.333 26.899 69.813 579 H GLY 75 H GLY 75 -5.500 27.953 69.902 580 HA2 GLY 75 HA2 GLY 75 -3.585 27.234 68.622 581 HA3 GLY 75 HA3 GLY 75 -4.340 25.654 68.466 582 H THR 76 H THR 76 -6.966 27.057 67.918 583 HA THR 76 HA THR 76 -6.533 27.327 65.048 584 HB THR 76 HB THR 76 -8.540 26.120 66.485 585 HG1 THR 76 HG1 THR 76 -9.608 26.211 64.305 586 HG21 THR 76 HG21 THR 76 -10.511 27.345 66.398 587 HG22 THR 76 HG22 THR 76 -9.872 28.481 65.210 588 HG23 THR 76 HG23 THR 76 -9.333 28.563 66.887 589 HA PRO 77 HA PRO 77 -8.506 31.546 66.533 590 HB2 PRO 77 HB2 PRO 77 -7.533 32.365 68.931 591 HB3 PRO 77 HB3 PRO 77 -9.021 31.425 68.768 592 HG2 PRO 77 HG2 PRO 77 -6.265 30.501 69.488 593 HG3 PRO 77 HG3 PRO 77 -7.821 30.041 70.202 594 HD2 PRO 77 HD2 PRO 77 -6.527 28.484 68.405 595 HD3 PRO 77 HD3 PRO 77 -8.298 28.546 68.515 596 HA PRO 78 HA PRO 78 -3.837 32.942 66.967 597 HB2 PRO 78 HB2 PRO 78 -2.082 30.979 66.308 598 HB3 PRO 78 HB3 PRO 78 -2.610 31.278 67.969 599 HG2 PRO 78 HG2 PRO 78 -3.567 29.219 66.018 600 HG3 PRO 78 HG3 PRO 78 -3.214 29.044 67.747 601 HD2 PRO 78 HD2 PRO 78 -5.735 29.314 66.795 602 HD3 PRO 78 HD3 PRO 78 -5.240 29.942 68.380 603 H THR 79 H THR 79 -4.705 33.983 65.080 604 HA THR 79 HA THR 79 -3.278 33.260 62.674 605 HB THR 79 HB THR 79 -6.291 33.455 62.544 606 HG1 THR 79 HG1 THR 79 -6.338 31.353 62.793 607 HG21 THR 79 HG21 THR 79 -5.385 32.223 60.264 608 HG22 THR 79 HG22 THR 79 -4.137 33.430 60.568 609 HG23 THR 79 HG23 THR 79 -5.821 33.927 60.400 610 H ALA 80 H ALA 80 -3.082 34.965 61.207 611 HA ALA 80 HA ALA 80 -2.810 37.496 62.072 612 HB1 ALA 80 HB1 ALA 80 -2.017 37.087 59.925 613 HB2 ALA 80 HB2 ALA 80 -3.572 36.473 59.362 614 HB3 ALA 80 HB3 ALA 80 -3.359 38.199 59.654 615 H SER 81 H SER 81 -5.780 36.295 60.506 616 HA SER 81 HA SER 81 -7.336 38.541 60.615 617 HG SER 81 HG SER 81 -9.646 37.099 59.273 618 HB2 SER 81 HB2 SER 81 -7.857 35.645 60.584 619 HB3 SER 81 HB3 SER 81 -9.174 36.612 61.249 620 H ASP 82 H ASP 82 -6.612 36.299 63.231 621 HA ASP 82 HA ASP 82 -8.337 37.721 65.083 622 HB2 ASP 82 HB2 ASP 82 -6.935 35.149 65.036 623 HB3 ASP 82 HB3 ASP 82 -6.863 35.958 66.599 624 H VAL 83 H VAL 83 -4.896 36.778 65.171 625 HA VAL 83 HA VAL 83 -4.006 38.324 67.216 626 HB VAL 83 HB VAL 83 -2.528 37.938 64.610 627 HG11 VAL 83 HG11 VAL 83 -0.519 38.305 65.850 628 HG12 VAL 83 HG12 VAL 83 -1.603 39.660 66.171 629 HG13 VAL 83 HG13 VAL 83 -1.406 38.381 67.372 630 HG21 VAL 83 HG21 VAL 83 -3.496 35.961 66.209 631 HG22 VAL 83 HG22 VAL 83 -2.064 35.818 65.189 632 HG23 VAL 83 HG23 VAL 83 -1.892 36.216 66.898 633 H VAL 84 H VAL 84 -5.084 39.420 64.117 634 HA VAL 84 HA VAL 84 -3.850 41.879 63.860 635 HB VAL 84 HB VAL 84 -5.442 40.817 62.219 636 HG11 VAL 84 HG11 VAL 84 -7.227 40.512 64.024 637 HG12 VAL 84 HG12 VAL 84 -7.614 42.213 63.753 638 HG13 VAL 84 HG13 VAL 84 -7.763 41.052 62.432 639 HG21 VAL 84 HG21 VAL 84 -4.623 43.031 61.808 640 HG22 VAL 84 HG22 VAL 84 -6.344 43.004 61.427 641 HG23 VAL 84 HG23 VAL 84 -5.786 43.726 62.936 642 H GLY 85 H GLY 85 -6.712 41.030 65.772 643 HA2 GLY 85 HA2 GLY 85 -6.377 43.584 67.211 644 HA3 GLY 85 HA3 GLY 85 -7.969 43.045 66.697 645 H MET 86 H MET 86 -6.272 40.333 67.475 646 HA MET 86 HA MET 86 -7.802 39.778 69.771 647 HB2 MET 86 HB2 MET 86 -6.825 38.057 68.269 648 HB3 MET 86 HB3 MET 86 -5.231 38.452 68.897 649 HG2 MET 86 HG2 MET 86 -5.517 37.170 70.682 650 HG3 MET 86 HG3 MET 86 -7.095 37.875 71.025 651 HE1 MET 86 HE1 MET 86 -6.180 33.980 68.827 652 HE2 MET 86 HE2 MET 86 -5.229 35.447 68.593 653 HE3 MET 86 HE3 MET 86 -5.286 34.677 70.178 654 HA PRO 87 HA PRO 87 -3.681 40.720 72.170 655 HB2 PRO 87 HB2 PRO 87 -1.920 42.341 70.889 656 HB3 PRO 87 HB3 PRO 87 -1.869 40.578 70.765 657 HG2 PRO 87 HG2 PRO 87 -3.023 42.578 68.860 658 HG3 PRO 87 HG3 PRO 87 -2.049 41.137 68.515 659 HD2 PRO 87 HD2 PRO 87 -4.742 41.175 68.237 660 HD3 PRO 87 HD3 PRO 87 -3.852 39.715 68.716 661 H GLN 88 H GLN 88 -2.701 42.845 73.062 662 HA GLN 88 HA GLN 88 -4.876 44.734 73.292 663 HB2 GLN 88 HB2 GLN 88 -3.489 45.778 75.036 664 HB3 GLN 88 HB3 GLN 88 -3.683 44.051 75.302 665 HG2 GLN 88 HG2 GLN 88 -1.365 44.301 73.773 666 HG3 GLN 88 HG3 GLN 88 -1.284 45.596 74.967 667 HE21 GLN 88 HE21 GLN 88 0.024 42.841 74.527 668 HE22 GLN 88 HE22 GLN 88 -0.041 42.122 76.096 669 H TRP 89 H TRP 89 -1.704 44.583 71.834 670 HA TRP 89 HA TRP 89 -1.003 47.170 71.419 671 HD1 TRP 89 HD1 TRP 89 -0.983 43.089 68.902 672 HE1 TRP 89 HE1 TRP 89 -1.940 43.058 66.514 673 HE3 TRP 89 HE3 TRP 89 -1.099 48.121 68.010 674 HZ2 TRP 89 HZ2 TRP 89 -2.650 44.919 64.514 675 HZ3 TRP 89 HZ3 TRP 89 -1.931 48.913 65.834 676 HH2 TRP 89 HH2 TRP 89 -2.689 47.345 64.123 677 HB2 TRP 89 HB2 TRP 89 0.354 46.428 69.722 678 HB3 TRP 89 HB3 TRP 89 -0.042 44.885 70.474 679 H GLN 90 H GLN 90 -3.427 45.360 69.567 680 HA GLN 90 HA GLN 90 -4.037 47.204 67.614 681 HB2 GLN 90 HB2 GLN 90 -5.033 45.029 67.548 682 HB3 GLN 90 HB3 GLN 90 -5.833 45.284 69.093 683 HG2 GLN 90 HG2 GLN 90 -7.323 45.437 67.105 684 HG3 GLN 90 HG3 GLN 90 -7.339 46.857 68.151 685 HE21 GLN 90 HE21 GLN 90 -8.161 48.072 66.401 686 HE22 GLN 90 HE22 GLN 90 -7.125 48.618 65.132 687 H GLU 91 H GLU 91 -5.650 46.898 70.782 688 HA GLU 91 HA GLU 91 -7.168 49.276 70.470 689 HB2 GLU 91 HB2 GLU 91 -6.952 47.166 72.375 690 HB3 GLU 91 HB3 GLU 91 -6.808 48.692 73.234 691 HG2 GLU 91 HG2 GLU 91 -9.006 48.881 73.187 692 HG3 GLU 91 HG3 GLU 91 -8.928 49.018 71.432 693 H TYR 92 H TYR 92 -4.313 48.535 72.471 694 HA TYR 92 HA TYR 92 -3.873 50.976 73.625 695 HD1 TYR 92 HD1 TYR 92 -3.824 47.997 74.737 696 HD2 TYR 92 HD2 TYR 92 -0.667 50.799 75.262 697 HE1 TYR 92 HE1 TYR 92 -3.884 47.600 77.164 698 HE2 TYR 92 HE2 TYR 92 -0.717 50.410 77.690 699 HH TYR 92 HH TYR 92 -3.039 49.284 79.323 700 HB2 TYR 92 HB2 TYR 92 -2.152 48.706 72.846 701 HB3 TYR 92 HB3 TYR 92 -1.314 50.232 73.111 702 H THR 93 H THR 93 -2.305 49.915 70.599 703 HA THR 93 HA THR 93 -1.061 52.219 69.855 704 HB THR 93 HB THR 93 -1.023 50.039 68.598 705 HG1 THR 93 HG1 THR 93 -0.429 51.084 66.761 706 HG21 THR 93 HG21 THR 93 -3.775 50.677 68.231 707 HG22 THR 93 HG22 THR 93 -2.899 49.243 67.700 708 HG23 THR 93 HG23 THR 93 -2.993 50.658 66.650 709 H ALA 94 H ALA 94 -4.466 51.629 69.940 710 HA ALA 94 HA ALA 94 -5.169 53.845 68.235 711 HB1 ALA 94 HB1 ALA 94 -7.372 53.056 69.836 712 HB2 ALA 94 HB2 ALA 94 -7.087 52.742 68.124 713 HB3 ALA 94 HB3 ALA 94 -6.510 51.600 69.339 714 H MET 95 H MET 95 -5.316 53.159 71.723 715 HA MET 95 HA MET 95 -6.434 55.558 72.567 716 HB2 MET 95 HB2 MET 95 -5.107 53.316 73.776 717 HB3 MET 95 HB3 MET 95 -4.532 54.803 74.516 718 HG2 MET 95 HG2 MET 95 -6.445 55.131 75.603 719 HG3 MET 95 HG3 MET 95 -7.418 54.749 74.186 720 HE1 MET 95 HE1 MET 95 -6.551 54.160 77.444 721 HE2 MET 95 HE2 MET 95 -8.151 53.424 77.545 722 HE3 MET 95 HE3 MET 95 -6.712 52.454 77.862 723 H LEU 96 H LEU 96 -3.277 54.901 71.357 724 HA LEU 96 HA LEU 96 -1.894 57.077 72.528 725 HG LEU 96 HG LEU 96 -1.442 53.931 71.329 726 HB2 LEU 96 HB2 LEU 96 -1.281 55.823 69.865 727 HB3 LEU 96 HB3 LEU 96 -0.165 56.635 70.961 728 HD11 LEU 96 HD11 LEU 96 1.433 54.784 71.032 729 HD12 LEU 96 HD12 LEU 96 0.458 53.989 69.797 730 HD13 LEU 96 HD13 LEU 96 0.860 53.136 71.287 731 HD21 LEU 96 HD21 LEU 96 0.371 54.153 73.329 732 HD22 LEU 96 HD22 LEU 96 -1.359 54.439 73.517 733 HD23 LEU 96 HD23 LEU 96 -0.263 55.798 73.267 734 H ARG 97 H ARG 97 -3.078 56.680 69.183 735 HA ARG 97 HA ARG 97 -2.766 59.457 68.593 736 HE ARG 97 HE ARG 97 -3.666 56.692 64.563 737 HB2 ARG 97 HB2 ARG 97 -4.020 58.858 66.493 738 HB3 ARG 97 HB3 ARG 97 -2.558 57.922 66.780 739 HG2 ARG 97 HG2 ARG 97 -4.701 56.530 67.988 740 HG3 ARG 97 HG3 ARG 97 -5.215 57.005 66.368 741 HD2 ARG 97 HD2 ARG 97 -2.588 55.653 66.947 742 HD3 ARG 97 HD3 ARG 97 -4.059 54.774 66.534 743 HH11 ARG 97 HH11 ARG 97 -2.057 53.860 65.794 744 HH12 ARG 97 HH12 ARG 97 -1.325 53.456 64.275 745 HH21 ARG 97 HH21 ARG 97 -2.709 56.170 62.559 746 HH22 ARG 97 HH22 ARG 97 -1.697 54.771 62.437 747 H GLU 98 H GLU 98 -5.323 57.482 69.854 748 HA GLU 98 HA GLU 98 -7.413 59.390 69.320 749 HB2 GLU 98 HB2 GLU 98 -7.950 57.019 69.424 750 HB3 GLU 98 HB3 GLU 98 -7.357 56.931 71.076 751 HG2 GLU 98 HG2 GLU 98 -9.281 57.660 71.917 752 HG3 GLU 98 HG3 GLU 98 -9.403 58.962 70.735 753 H ARG 99 H ARG 99 -5.841 58.187 72.287 754 HA ARG 99 HA ARG 99 -6.982 60.321 73.859 755 HE ARG 99 HE ARG 99 -8.497 60.883 77.541 756 HB2 ARG 99 HB2 ARG 99 -6.413 57.889 74.598 757 HB3 ARG 99 HB3 ARG 99 -4.784 58.514 74.810 758 HG2 ARG 99 HG2 ARG 99 -5.781 58.665 76.920 759 HG3 ARG 99 HG3 ARG 99 -5.826 60.307 76.276 760 HD2 ARG 99 HD2 ARG 99 -8.163 59.871 75.525 761 HD3 ARG 99 HD3 ARG 99 -8.089 58.319 76.357 762 HH11 ARG 99 HH11 ARG 99 -7.151 57.719 78.087 763 HH12 ARG 99 HH12 ARG 99 -7.324 57.799 79.808 764 HH21 ARG 99 HH21 ARG 99 -8.729 61.001 79.808 765 HH22 ARG 99 HH22 ARG 99 -8.222 59.666 80.786 766 H PHE 100 H PHE 100 -3.657 59.323 73.032 767 HA PHE 100 HA PHE 100 -1.685 60.475 73.079 768 HD1 PHE 100 HD1 PHE 100 -5.080 61.437 70.921 769 HD2 PHE 100 HD2 PHE 100 -2.801 64.544 72.727 770 HE1 PHE 100 HE1 PHE 100 -7.043 62.917 70.842 771 HE2 PHE 100 HE2 PHE 100 -4.760 66.030 72.652 772 HZ PHE 100 HZ PHE 100 -6.886 65.217 71.710 773 HB2 PHE 100 HB2 PHE 100 -1.727 62.602 71.825 774 HB3 PHE 100 HB3 PHE 100 -2.647 61.340 71.011 775 H ALA 101 H ALA 101 -3.169 60.574 75.531 776 HA ALA 101 HA ALA 101 -3.594 62.881 76.828 777 HB1 ALA 101 HB1 ALA 101 -3.337 61.737 78.763 778 HB2 ALA 101 HB2 ALA 101 -3.268 60.362 77.662 779 HB3 ALA 101 HB3 ALA 101 -1.777 61.065 78.289 780 H GLY 102 H GLY 102 -0.328 61.440 76.916 781 HA2 GLY 102 HA2 GLY 102 0.893 63.988 76.301 782 HA3 GLY 102 HA3 GLY 102 1.108 63.473 77.967 783 H LEU 103 H LEU 103 1.003 61.361 75.147 784 HA LEU 103 HA LEU 103 3.604 60.295 75.886 785 HG LEU 103 HG LEU 103 0.745 60.269 73.583 786 HB2 LEU 103 HB2 LEU 103 3.129 58.589 74.179 787 HB3 LEU 103 HB3 LEU 103 1.865 58.709 75.401 788 HD11 LEU 103 HD11 LEU 103 2.976 59.639 72.193 789 HD12 LEU 103 HD12 LEU 103 1.435 60.071 71.453 790 HD13 LEU 103 HD13 LEU 103 1.877 58.374 71.641 791 HD21 LEU 103 HD21 LEU 103 0.312 57.608 72.642 792 HD22 LEU 103 HD22 LEU 103 -0.727 58.611 73.655 793 HD23 LEU 103 HD23 LEU 103 0.496 57.580 74.397 794 H ASP 104 H ASP 104 2.190 62.356 73.498 795 HA ASP 104 HA ASP 104 4.125 62.112 71.465 796 HB2 ASP 104 HB2 ASP 104 2.027 64.089 72.188 797 HB3 ASP 104 HB3 ASP 104 3.303 64.639 71.105 798 H THR 105 H THR 105 3.859 64.367 74.195 799 HA THR 105 HA THR 105 6.098 65.932 73.646 800 HB THR 105 HB THR 105 4.615 66.700 75.333 801 HG1 THR 105 HG1 THR 105 6.159 66.701 77.231 802 HG21 THR 105 HG21 THR 105 5.182 64.082 76.716 803 HG22 THR 105 HG22 THR 105 3.633 64.680 76.125 804 HG23 THR 105 HG23 THR 105 4.402 65.447 77.514 805 H ILE 106 H ILE 106 5.844 62.747 75.039 806 HA ILE 106 HA ILE 106 8.768 62.714 75.421 807 HB ILE 106 HB ILE 106 8.466 60.933 77.056 808 HG12 ILE 106 HG12 ILE 106 6.034 60.601 77.882 809 HG13 ILE 106 HG13 ILE 106 5.568 61.255 76.316 810 HG21 ILE 106 HG21 ILE 106 6.912 62.384 78.666 811 HG22 ILE 106 HG22 ILE 106 8.558 62.857 78.250 812 HG23 ILE 106 HG23 ILE 106 7.193 63.581 77.402 813 HD11 ILE 106 HD11 ILE 106 6.051 58.621 76.888 814 HD12 ILE 106 HD12 ILE 106 6.006 59.340 75.278 815 HD13 ILE 106 HD13 ILE 106 7.547 59.139 76.113 Start of MODEL 18 1 H LYS 1 H LYS 1 47.100 44.659 58.810 2 HA LYS 1 HA LYS 1 45.108 43.462 60.587 3 HB2 LYS 1 HB2 LYS 1 47.798 44.435 61.371 4 HB3 LYS 1 HB3 LYS 1 46.462 44.898 62.416 5 HG2 LYS 1 HG2 LYS 1 46.059 42.750 63.090 6 HG3 LYS 1 HG3 LYS 1 46.720 42.045 61.612 7 HD2 LYS 1 HD2 LYS 1 48.986 42.845 62.386 8 HD3 LYS 1 HD3 LYS 1 48.230 43.226 63.936 9 HE2 LYS 1 HE2 LYS 1 48.582 41.119 64.550 10 HE3 LYS 1 HE3 LYS 1 47.420 40.619 63.324 11 HZ1 LYS 1 HZ1 LYS 1 49.073 40.097 61.839 12 HZ2 LYS 1 HZ2 LYS 1 49.808 39.661 63.299 13 HZ3 LYS 1 HZ3 LYS 1 50.212 41.124 62.553 14 H GLN 2 H GLN 2 43.633 44.914 61.445 15 HA GLN 2 HA GLN 2 43.977 47.757 60.985 16 HB2 GLN 2 HB2 GLN 2 41.834 47.961 59.761 17 HB3 GLN 2 HB3 GLN 2 43.050 47.064 58.859 18 HG2 GLN 2 HG2 GLN 2 41.138 45.537 60.541 19 HG3 GLN 2 HG3 GLN 2 40.557 46.239 59.032 20 HE21 GLN 2 HE21 GLN 2 42.288 43.709 60.481 21 HE22 GLN 2 HE22 GLN 2 42.801 42.911 59.039 22 H GLN 3 H GLN 3 42.365 49.055 62.061 23 HA GLN 3 HA GLN 3 40.947 47.586 64.185 24 HB2 GLN 3 HB2 GLN 3 42.875 48.807 65.077 25 HB3 GLN 3 HB3 GLN 3 42.270 50.298 64.366 26 HG2 GLN 3 HG2 GLN 3 40.594 50.521 65.912 27 HG3 GLN 3 HG3 GLN 3 40.536 48.794 66.259 28 HE21 GLN 3 HE21 GLN 3 42.316 51.761 66.792 29 HE22 GLN 3 HE22 GLN 3 43.131 51.241 68.223 30 H LEU 4 H LEU 4 38.823 47.719 63.949 31 HA LEU 4 HA LEU 4 37.617 50.288 63.260 32 HG LEU 4 HG LEU 4 38.968 49.455 61.116 33 HB2 LEU 4 HB2 LEU 4 36.946 47.711 61.845 34 HB3 LEU 4 HB3 LEU 4 36.114 49.250 61.634 35 HD11 LEU 4 HD11 LEU 4 37.452 47.238 59.909 36 HD12 LEU 4 HD12 LEU 4 39.190 47.444 60.127 37 HD13 LEU 4 HD13 LEU 4 38.368 48.246 58.788 38 HD21 LEU 4 HD21 LEU 4 38.267 50.788 59.355 39 HD22 LEU 4 HD22 LEU 4 36.970 50.998 60.533 40 HD23 LEU 4 HD23 LEU 4 36.748 49.912 59.162 41 H GLN 5 H GLN 5 36.324 50.698 64.920 42 HA GLN 5 HA GLN 5 34.307 48.762 65.679 43 HB2 GLN 5 HB2 GLN 5 34.838 48.747 68.032 44 HB3 GLN 5 HB3 GLN 5 36.248 48.213 67.127 45 HG2 GLN 5 HG2 GLN 5 36.577 50.956 67.358 46 HG3 GLN 5 HG3 GLN 5 35.943 50.451 68.924 47 HE21 GLN 5 HE21 GLN 5 38.637 50.499 66.837 48 HE22 GLN 5 HE22 GLN 5 39.733 49.634 67.854 49 H GLU 6 H GLU 6 32.436 49.758 66.084 50 HA GLU 6 HA GLU 6 32.354 52.392 67.269 51 HB2 GLU 6 HB2 GLU 6 30.867 53.216 65.338 52 HB3 GLU 6 HB3 GLU 6 32.607 53.204 65.091 53 HG2 GLU 6 HG2 GLU 6 32.526 51.415 63.635 54 HG3 GLU 6 HG3 GLU 6 30.964 50.864 64.238 55 H HIS 7 H HIS 7 30.801 52.253 68.733 56 HA HIS 7 HA HIS 7 28.194 51.211 68.018 57 HD1 HIS 7 HD1 HIS 7 29.489 51.105 71.994 58 HD2 HIS 7 HD2 HIS 7 31.680 48.503 69.608 59 HE1 HIS 7 HE1 HIS 7 31.606 50.644 73.270 60 HB2 HIS 7 HB2 HIS 7 28.139 49.698 70.025 61 HB3 HIS 7 HB3 HIS 7 29.208 49.160 68.733 62 H ALA 8 H ALA 8 26.603 51.545 69.798 63 HA ALA 8 HA ALA 8 27.000 54.158 70.946 64 HB1 ALA 8 HB1 ALA 8 24.617 53.472 71.915 65 HB2 ALA 8 HB2 ALA 8 24.841 54.030 70.257 66 HB3 ALA 8 HB3 ALA 8 24.717 52.304 70.598 67 HA PRO 9 HA PRO 9 28.392 52.857 74.921 68 HB2 PRO 9 HB2 PRO 9 27.742 55.085 76.328 69 HB3 PRO 9 HB3 PRO 9 29.107 55.021 75.207 70 HG2 PRO 9 HG2 PRO 9 26.356 56.124 74.781 71 HG3 PRO 9 HG3 PRO 9 27.921 56.805 74.301 72 HD2 PRO 9 HD2 PRO 9 26.311 55.488 72.568 73 HD3 PRO 9 HD3 PRO 9 28.082 55.451 72.442 74 H SER 10 H SER 10 25.180 54.370 74.719 75 HA SER 10 HA SER 10 24.039 52.236 76.297 76 HG SER 10 HG SER 10 23.491 52.844 78.968 77 HB2 SER 10 HB2 SER 10 24.665 54.841 77.470 78 HB3 SER 10 HB3 SER 10 22.965 54.403 77.639 79 H HIS 11 H HIS 11 21.704 52.282 76.319 80 HA HIS 11 HA HIS 11 20.643 53.655 73.960 81 HD1 HIS 11 HD1 HIS 11 16.952 51.799 75.158 82 HD2 HIS 11 HD2 HIS 11 20.319 50.549 77.249 83 HE1 HIS 11 HE1 HIS 11 16.085 50.828 77.310 84 HB2 HIS 11 HB2 HIS 11 19.036 51.972 73.796 85 HB3 HIS 11 HB3 HIS 11 20.448 51.103 74.389 86 H ALA 12 H ALA 12 18.405 54.486 74.074 87 HA ALA 12 HA ALA 12 17.748 55.542 76.744 88 HB1 ALA 12 HB1 ALA 12 17.029 57.260 74.475 89 HB2 ALA 12 HB2 ALA 12 17.711 57.676 76.048 90 HB3 ALA 12 HB3 ALA 12 18.761 57.087 74.758 91 H ASN 13 H ASN 13 15.458 56.385 76.838 92 HA ASN 13 HA ASN 13 13.643 54.363 76.295 93 HB2 ASN 13 HB2 ASN 13 13.253 57.302 76.846 94 HB3 ASN 13 HB3 ASN 13 11.892 56.202 76.640 95 HD21 ASN 13 HD21 ASN 13 14.789 56.802 78.545 96 HD22 ASN 13 HD22 ASN 13 14.228 56.018 79.979 97 H LEU 14 H LEU 14 14.308 57.316 74.450 98 HA LEU 14 HA LEU 14 12.334 57.199 72.545 99 HG LEU 14 HG LEU 14 14.002 60.197 71.351 100 HB2 LEU 14 HB2 LEU 14 14.861 58.482 72.847 101 HB3 LEU 14 HB3 LEU 14 14.730 57.880 71.196 102 HD11 LEU 14 HD11 LEU 14 12.159 58.024 70.573 103 HD12 LEU 14 HD12 LEU 14 12.852 59.327 69.610 104 HD13 LEU 14 HD13 LEU 14 11.478 59.648 70.666 105 HD21 LEU 14 HD21 LEU 14 11.741 60.532 72.563 106 HD22 LEU 14 HD22 LEU 14 13.228 60.530 73.510 107 HD23 LEU 14 HD23 LEU 14 12.204 59.095 73.475 108 H ASP 15 H ASP 15 15.542 55.662 72.341 109 HA ASP 15 HA ASP 15 14.718 54.144 70.008 110 HB2 ASP 15 HB2 ASP 15 17.276 54.682 71.413 111 HB3 ASP 15 HB3 ASP 15 17.148 53.140 70.572 112 H VAL 16 H VAL 16 13.689 52.276 70.172 113 HA VAL 16 HA VAL 16 14.329 50.494 72.422 114 HB VAL 16 HB VAL 16 11.979 49.852 72.629 115 HG11 VAL 16 HG11 VAL 16 12.759 52.712 73.010 116 HG12 VAL 16 HG12 VAL 16 11.123 52.183 73.408 117 HG13 VAL 16 HG13 VAL 16 12.510 51.447 74.213 118 HG21 VAL 16 HG21 VAL 16 11.251 50.310 70.353 119 HG22 VAL 16 HG22 VAL 16 10.226 51.158 71.511 120 HG23 VAL 16 HG23 VAL 16 11.463 52.041 70.616 121 H LYS 17 H LYS 17 14.748 48.460 71.839 122 HA LYS 17 HA LYS 17 15.100 47.655 69.222 123 HB2 LYS 17 HB2 LYS 17 14.979 45.290 70.194 124 HB3 LYS 17 HB3 LYS 17 16.184 46.378 70.870 125 HG2 LYS 17 HG2 LYS 17 14.057 46.840 72.504 126 HG3 LYS 17 HG3 LYS 17 13.859 45.126 72.126 127 HD2 LYS 17 HD2 LYS 17 16.518 46.229 72.971 128 HD3 LYS 17 HD3 LYS 17 15.296 45.783 74.164 129 HE2 LYS 17 HE2 LYS 17 16.311 43.770 74.031 130 HE3 LYS 17 HE3 LYS 17 15.261 43.580 72.628 131 HZ1 LYS 17 HZ1 LYS 17 16.992 43.987 71.173 132 HZ2 LYS 17 HZ2 LYS 17 17.751 43.079 72.383 133 HZ3 LYS 17 HZ3 LYS 17 17.948 44.759 72.337 134 H TRP 18 H TRP 18 13.955 45.519 68.391 135 HA TRP 18 HA TRP 18 11.375 46.275 67.567 136 HD1 TRP 18 HD1 TRP 18 13.282 46.783 65.870 137 HE1 TRP 18 HE1 TRP 18 15.499 46.439 64.609 138 HE3 TRP 18 HE3 TRP 18 13.819 41.741 66.528 139 HZ2 TRP 18 HZ2 TRP 18 17.244 44.313 63.976 140 HZ3 TRP 18 HZ3 TRP 18 15.790 40.630 65.562 141 HH2 TRP 18 HH2 TRP 18 17.466 41.891 64.313 142 HB2 TRP 18 HB2 TRP 18 12.299 43.419 67.502 143 HB3 TRP 18 HB3 TRP 18 11.339 44.302 66.318 144 H LEU 19 H LEU 19 9.546 44.473 67.749 145 HA LEU 19 HA LEU 19 8.730 44.515 70.488 146 HG LEU 19 HG LEU 19 6.959 45.878 69.130 147 HB2 LEU 19 HB2 LEU 19 7.559 43.773 67.896 148 HB3 LEU 19 HB3 LEU 19 6.941 42.868 69.279 149 HD11 LEU 19 HD11 LEU 19 5.232 43.959 67.824 150 HD12 LEU 19 HD12 LEU 19 5.306 45.714 67.654 151 HD13 LEU 19 HD13 LEU 19 4.340 44.993 68.940 152 HD21 LEU 19 HD21 LEU 19 6.805 44.458 71.340 153 HD22 LEU 19 HD22 LEU 19 5.132 44.247 70.823 154 HD23 LEU 19 HD23 LEU 19 5.774 45.868 71.090 155 H ASP 20 H ASP 20 10.931 42.634 69.081 156 HA ASP 20 HA ASP 20 10.101 40.048 70.054 157 HB2 ASP 20 HB2 ASP 20 11.918 40.924 68.147 158 HB3 ASP 20 HB3 ASP 20 12.940 40.318 69.448 159 H GLY 21 H GLY 21 9.956 39.892 72.221 160 HA2 GLY 21 HA2 GLY 21 10.511 40.260 74.458 161 HA3 GLY 21 HA3 GLY 21 11.927 39.368 73.925 162 H LEU 22 H LEU 22 10.632 42.508 74.705 163 HA LEU 22 HA LEU 22 13.062 43.925 74.114 164 HG LEU 22 HG LEU 22 12.881 46.103 73.941 165 HB2 LEU 22 HB2 LEU 22 10.510 44.705 74.331 166 HB3 LEU 22 HB3 LEU 22 11.063 45.090 75.959 167 HD11 LEU 22 HD11 LEU 22 10.936 46.267 72.534 168 HD12 LEU 22 HD12 LEU 22 11.364 47.875 73.118 169 HD13 LEU 22 HD13 LEU 22 10.008 47.008 73.838 170 HD21 LEU 22 HD21 LEU 22 13.140 47.694 75.485 171 HD22 LEU 22 HD22 LEU 22 12.124 46.689 76.518 172 HD23 LEU 22 HD23 LEU 22 11.405 48.002 75.585 173 H ARG 23 H ARG 23 14.035 45.332 75.906 174 HA ARG 23 HA ARG 23 14.042 44.105 78.536 175 HE ARG 23 HE ARG 23 15.385 42.752 80.996 176 HB2 ARG 23 HB2 ARG 23 16.032 43.459 76.591 177 HB3 ARG 23 HB3 ARG 23 16.786 44.414 77.860 178 HG2 ARG 23 HG2 ARG 23 15.037 42.351 78.915 179 HG3 ARG 23 HG3 ARG 23 16.333 41.701 77.908 180 HD2 ARG 23 HD2 ARG 23 17.777 41.991 79.568 181 HD3 ARG 23 HD3 ARG 23 17.435 43.719 79.572 182 HH11 ARG 23 HH11 ARG 23 18.814 42.168 81.178 183 HH12 ARG 23 HH12 ARG 23 18.803 41.862 82.883 184 HH21 ARG 23 HH21 ARG 23 15.360 42.351 83.242 185 HH22 ARG 23 HH22 ARG 23 16.838 41.965 84.056 186 H ALA 24 H ALA 24 15.644 45.317 79.996 187 HA ALA 24 HA ALA 24 16.354 47.261 80.950 188 HB1 ALA 24 HB1 ALA 24 17.817 48.063 79.462 189 HB2 ALA 24 HB2 ALA 24 16.765 47.700 78.094 190 HB3 ALA 24 HB3 ALA 24 16.536 49.189 79.014 191 H GLY 25 H GLY 25 13.603 46.673 80.914 192 HA2 GLY 25 HA2 GLY 25 12.095 48.285 82.062 193 HA3 GLY 25 HA3 GLY 25 12.444 49.386 80.737 194 H SER 26 H SER 26 10.527 49.630 79.750 195 HA SER 26 HA SER 26 8.610 49.149 78.619 196 HG SER 26 HG SER 26 8.772 47.279 75.846 197 HB2 SER 26 HB2 SER 26 10.644 47.756 77.412 198 HB3 SER 26 HB3 SER 26 9.461 46.484 77.717 199 H MET 27 H MET 27 8.743 48.334 81.378 200 HA MET 27 HA MET 27 7.283 45.812 81.471 201 HB2 MET 27 HB2 MET 27 7.445 46.065 83.920 202 HB3 MET 27 HB3 MET 27 9.019 46.137 83.138 203 HG2 MET 27 HG2 MET 27 7.618 48.699 83.626 204 HG3 MET 27 HG3 MET 27 8.277 47.847 85.020 205 HE1 MET 27 HE1 MET 27 8.552 50.472 83.147 206 HE2 MET 27 HE2 MET 27 10.228 50.985 83.339 207 HE3 MET 27 HE3 MET 27 9.705 50.229 81.833 208 H ALA 28 H ALA 28 6.796 49.250 82.010 209 HA ALA 28 HA ALA 28 3.993 48.785 82.718 210 HB1 ALA 28 HB1 ALA 28 5.037 51.544 82.603 211 HB2 ALA 28 HB2 ALA 28 4.009 50.764 83.806 212 HB3 ALA 28 HB3 ALA 28 5.750 50.486 83.821 213 H LEU 29 H LEU 29 5.691 51.179 80.687 214 HA LEU 29 HA LEU 29 3.382 51.275 78.913 215 HG LEU 29 HG LEU 29 4.152 54.845 79.088 216 HB2 LEU 29 HB2 LEU 29 5.637 53.028 79.560 217 HB3 LEU 29 HB3 LEU 29 5.222 52.989 77.848 218 HD11 LEU 29 HD11 LEU 29 3.120 54.095 77.065 219 HD12 LEU 29 HD12 LEU 29 1.852 54.410 78.248 220 HD13 LEU 29 HD13 LEU 29 2.341 52.752 77.900 221 HD21 LEU 29 HD21 LEU 29 2.701 52.614 80.508 222 HD22 LEU 29 HD22 LEU 29 2.293 54.327 80.608 223 HD23 LEU 29 HD23 LEU 29 3.839 53.751 81.233 224 H GLN 30 H GLN 30 4.142 51.680 76.486 225 HA GLN 30 HA GLN 30 6.095 49.605 75.767 226 HB2 GLN 30 HB2 GLN 30 3.235 49.757 75.079 227 HB3 GLN 30 HB3 GLN 30 4.303 49.433 73.721 228 HG2 GLN 30 HG2 GLN 30 4.971 47.404 74.549 229 HG3 GLN 30 HG3 GLN 30 4.624 47.848 76.218 230 HE21 GLN 30 HE21 GLN 30 3.333 46.637 73.245 231 HE22 GLN 30 HE22 GLN 30 1.800 46.145 73.868 232 H GLY 31 H GLY 31 7.710 50.718 74.863 233 HA2 GLY 31 HA2 GLY 31 7.380 53.208 73.536 234 HA3 GLY 31 HA3 GLY 31 8.838 52.227 73.544 235 H ASP 32 H ASP 32 7.437 49.893 72.423 236 HA ASP 32 HA ASP 32 7.994 50.265 69.728 237 HB2 ASP 32 HB2 ASP 32 6.537 48.220 71.314 238 HB3 ASP 32 HB3 ASP 32 6.251 48.228 69.576 239 H VAL 33 H VAL 33 4.959 50.645 71.481 240 HA VAL 33 HA VAL 33 3.459 51.204 69.074 241 HB VAL 33 HB VAL 33 2.653 51.470 71.974 242 HG11 VAL 33 HG11 VAL 33 1.185 52.864 70.825 243 HG12 VAL 33 HG12 VAL 33 1.147 51.816 69.405 244 HG13 VAL 33 HG13 VAL 33 0.323 51.328 70.887 245 HG21 VAL 33 HG21 VAL 33 1.459 49.373 71.626 246 HG22 VAL 33 HG22 VAL 33 2.058 49.295 69.969 247 HG23 VAL 33 HG23 VAL 33 3.184 49.168 71.322 248 H LYS 34 H LYS 34 5.254 52.972 71.422 249 HA LYS 34 HA LYS 34 3.975 55.503 70.957 250 HB2 LYS 34 HB2 LYS 34 4.950 55.363 73.071 251 HB3 LYS 34 HB3 LYS 34 6.410 54.600 72.456 252 HG2 LYS 34 HG2 LYS 34 6.936 56.787 71.322 253 HG3 LYS 34 HG3 LYS 34 5.611 57.489 72.252 254 HD2 LYS 34 HD2 LYS 34 6.894 57.658 74.064 255 HD3 LYS 34 HD3 LYS 34 7.345 55.954 73.964 256 HE2 LYS 34 HE2 LYS 34 8.701 57.376 71.903 257 HE3 LYS 34 HE3 LYS 34 8.933 58.240 73.422 258 HZ1 LYS 34 HZ1 LYS 34 9.850 56.321 74.421 259 HZ2 LYS 34 HZ2 LYS 34 10.614 56.479 72.920 260 HZ3 LYS 34 HZ3 LYS 34 9.395 55.326 73.131 261 H VAL 35 H VAL 35 6.655 53.735 69.607 262 HA VAL 35 HA VAL 35 7.630 56.041 68.128 263 HB VAL 35 HB VAL 35 9.402 54.643 67.344 264 HG11 VAL 35 HG11 VAL 35 9.952 55.331 69.483 265 HG12 VAL 35 HG12 VAL 35 8.700 54.341 70.236 266 HG13 VAL 35 HG13 VAL 35 10.155 53.583 69.589 267 HG21 VAL 35 HG21 VAL 35 9.257 52.152 68.313 268 HG22 VAL 35 HG22 VAL 35 7.539 52.464 68.069 269 HG23 VAL 35 HG23 VAL 35 8.661 52.595 66.714 270 H TRP 36 H TRP 36 5.424 53.467 67.715 271 HA TRP 36 HA TRP 36 5.468 52.752 65.107 272 HD1 TRP 36 HD1 TRP 36 2.581 54.291 63.773 273 HE1 TRP 36 HE1 TRP 36 1.130 52.885 62.180 274 HE3 TRP 36 HE3 TRP 36 2.717 49.835 66.274 275 HZ2 TRP 36 HZ2 TRP 36 0.169 50.236 62.007 276 HZ3 TRP 36 HZ3 TRP 36 1.504 47.914 65.327 277 HH2 TRP 36 HH2 TRP 36 0.257 48.113 63.238 278 HB2 TRP 36 HB2 TRP 36 3.757 51.966 66.666 279 HB3 TRP 36 HB3 TRP 36 3.009 53.561 66.674 280 H MET 37 H MET 37 3.764 55.658 66.290 281 HA MET 37 HA MET 37 3.471 56.661 63.598 282 HB2 MET 37 HB2 MET 37 2.097 58.316 64.498 283 HB3 MET 37 HB3 MET 37 1.817 56.944 65.562 284 HG2 MET 37 HG2 MET 37 3.793 59.118 66.183 285 HG3 MET 37 HG3 MET 37 2.103 59.179 66.677 286 HE1 MET 37 HE1 MET 37 1.989 55.710 67.152 287 HE2 MET 37 HE2 MET 37 1.888 55.923 68.899 288 HE3 MET 37 HE3 MET 37 1.002 57.008 67.827 289 H GLN 38 H GLN 38 5.379 57.430 66.469 290 HA GLN 38 HA GLN 38 6.525 59.818 65.679 291 HB2 GLN 38 HB2 GLN 38 7.705 59.577 67.565 292 HB3 GLN 38 HB3 GLN 38 6.868 58.044 67.777 293 HG2 GLN 38 HG2 GLN 38 9.064 57.423 68.006 294 HG3 GLN 38 HG3 GLN 38 8.773 57.093 66.299 295 HE21 GLN 38 HE21 GLN 38 10.245 57.821 64.952 296 HE22 GLN 38 HE22 GLN 38 11.334 59.130 65.238 297 H ASN 39 H ASN 39 7.113 56.610 64.513 298 HA ASN 39 HA ASN 39 9.624 57.244 63.252 299 HB2 ASN 39 HB2 ASN 39 8.181 54.882 63.868 300 HB3 ASN 39 HB3 ASN 39 8.398 54.912 62.120 301 HD21 ASN 39 HD21 ASN 39 9.823 54.266 65.103 302 HD22 ASN 39 HD22 ASN 39 11.441 54.003 64.554 303 H LEU 40 H LEU 40 6.256 56.882 62.245 304 HA LEU 40 HA LEU 40 6.867 57.396 59.473 305 HG LEU 40 HG LEU 40 4.590 56.131 62.036 306 HB2 LEU 40 HB2 LEU 40 4.083 57.714 60.247 307 HB3 LEU 40 HB3 LEU 40 4.813 56.627 59.067 308 HD11 LEU 40 HD11 LEU 40 2.650 55.887 60.082 309 HD12 LEU 40 HD12 LEU 40 2.661 55.090 61.655 310 HD13 LEU 40 HD13 LEU 40 3.301 54.256 60.238 311 HD21 LEU 40 HD21 LEU 40 5.554 54.266 59.873 312 HD22 LEU 40 HD22 LEU 40 5.523 53.973 61.613 313 HD23 LEU 40 HD23 LEU 40 6.623 55.177 60.941 314 H GLU 41 H GLU 41 6.222 59.260 62.258 315 HA GLU 41 HA GLU 41 4.862 61.467 61.454 316 HB2 GLU 41 HB2 GLU 41 6.280 60.889 63.650 317 HB3 GLU 41 HB3 GLU 41 7.404 62.010 62.894 318 HG2 GLU 41 HG2 GLU 41 5.787 63.758 62.905 319 HG3 GLU 41 HG3 GLU 41 4.513 62.649 63.411 320 H ASP 42 H ASP 42 7.907 60.394 60.267 321 HA ASP 42 HA ASP 42 8.674 62.933 59.131 322 HB2 ASP 42 HB2 ASP 42 10.215 60.974 59.887 323 HB3 ASP 42 HB3 ASP 42 9.845 60.294 58.305 324 H LEU 43 H LEU 43 7.890 59.764 57.683 325 HA LEU 43 HA LEU 43 7.590 60.736 55.066 326 HG LEU 43 HG LEU 43 6.709 58.796 53.433 327 HB2 LEU 43 HB2 LEU 43 7.592 58.271 56.268 328 HB3 LEU 43 HB3 LEU 43 5.921 58.431 55.730 329 HD11 LEU 43 HD11 LEU 43 9.075 59.516 54.539 330 HD12 LEU 43 HD12 LEU 43 8.858 59.070 52.847 331 HD13 LEU 43 HD13 LEU 43 9.437 57.874 54.007 332 HD21 LEU 43 HD21 LEU 43 7.872 56.301 54.663 333 HD22 LEU 43 HD22 LEU 43 7.382 56.525 52.984 334 HD23 LEU 43 HD23 LEU 43 6.169 56.531 54.264 335 H HIS 44 H HIS 44 5.457 60.747 57.787 336 HA HIS 44 HA HIS 44 2.941 60.792 56.786 337 HD1 HIS 44 HD1 HIS 44 0.842 61.761 57.270 338 HD2 HIS 44 HD2 HIS 44 2.414 64.301 60.156 339 HE1 HIS 44 HE1 HIS 44 -1.030 63.327 57.878 340 HB2 HIS 44 HB2 HIS 44 3.282 61.114 59.132 341 HB3 HIS 44 HB3 HIS 44 4.156 62.619 58.861 342 H THR 45 H THR 45 5.321 63.382 56.539 343 HA THR 45 HA THR 45 3.844 65.484 55.624 344 HB THR 45 HB THR 45 6.304 65.537 55.953 345 HG1 THR 45 HG1 THR 45 4.926 66.980 54.406 346 HG21 THR 45 HG21 THR 45 6.872 63.465 54.779 347 HG22 THR 45 HG22 THR 45 7.773 64.832 54.124 348 HG23 THR 45 HG23 THR 45 6.381 64.192 53.248 349 H ARG 46 H ARG 46 4.903 62.666 53.770 350 HA ARG 46 HA ARG 46 3.302 63.620 51.493 351 HE ARG 46 HE ARG 46 4.104 65.177 50.605 352 HB2 ARG 46 HB2 ARG 46 5.908 62.679 51.558 353 HB3 ARG 46 HB3 ARG 46 4.987 61.292 50.992 354 HG2 ARG 46 HG2 ARG 46 5.392 62.262 48.993 355 HG3 ARG 46 HG3 ARG 46 3.924 63.147 49.409 356 HD2 ARG 46 HD2 ARG 46 6.661 64.150 50.138 357 HD3 ARG 46 HD3 ARG 46 5.916 64.507 48.580 358 HH11 ARG 46 HH11 ARG 46 7.183 66.207 49.346 359 HH12 ARG 46 HH12 ARG 46 6.972 67.860 49.823 360 HH21 ARG 46 HH21 ARG 46 3.814 67.350 51.237 361 HH22 ARG 46 HH22 ARG 46 5.056 68.509 50.898 362 H ARG 47 H ARG 47 4.197 60.559 53.094 363 HA ARG 47 HA ARG 47 1.441 59.724 53.176 364 HE ARG 47 HE ARG 47 -0.555 56.922 49.962 365 HB2 ARG 47 HB2 ARG 47 1.898 59.075 50.911 366 HB3 ARG 47 HB3 ARG 47 3.423 58.333 51.375 367 HG2 ARG 47 HG2 ARG 47 1.980 56.535 51.064 368 HG3 ARG 47 HG3 ARG 47 2.012 56.761 52.814 369 HD2 ARG 47 HD2 ARG 47 -0.256 56.439 52.221 370 HD3 ARG 47 HD3 ARG 47 -0.067 58.160 52.554 371 HH11 ARG 47 HH11 ARG 47 0.153 59.796 51.797 372 HH12 ARG 47 HH12 ARG 47 -0.342 60.879 50.537 373 HH21 ARG 47 HH21 ARG 47 -1.210 58.338 48.298 374 HH22 ARG 47 HH22 ARG 47 -1.118 60.048 48.548 375 HA PRO 48 HA PRO 48 3.677 58.102 56.757 376 HB2 PRO 48 HB2 PRO 48 1.452 57.836 58.290 377 HB3 PRO 48 HB3 PRO 48 2.293 59.377 58.075 378 HG2 PRO 48 HG2 PRO 48 -0.168 58.354 56.710 379 HG3 PRO 48 HG3 PRO 48 0.164 59.973 57.355 380 HD2 PRO 48 HD2 PRO 48 0.361 59.386 54.718 381 HD3 PRO 48 HD3 PRO 48 1.395 60.594 55.508 382 H ASP 49 H ASP 49 0.486 56.833 55.777 383 HA ASP 49 HA ASP 49 0.634 54.306 56.819 384 HB2 ASP 49 HB2 ASP 49 -1.323 55.292 55.605 385 HB3 ASP 49 HB3 ASP 49 -0.492 54.955 54.089 386 H GLU 50 H GLU 50 2.547 55.635 54.311 387 HA GLU 50 HA GLU 50 3.289 53.111 53.129 388 HB2 GLU 50 HB2 GLU 50 3.248 55.201 51.809 389 HB3 GLU 50 HB3 GLU 50 4.544 55.842 52.809 390 HG2 GLU 50 HG2 GLU 50 5.278 54.953 50.609 391 HG3 GLU 50 HG3 GLU 50 6.082 54.222 51.997 392 H PHE 51 H PHE 51 4.865 55.524 55.208 393 HA PHE 51 HA PHE 51 7.332 54.276 55.487 394 HD1 PHE 51 HD1 PHE 51 7.411 54.531 59.257 395 HD2 PHE 51 HD2 PHE 51 8.980 56.953 56.128 396 HE1 PHE 51 HE1 PHE 51 9.601 54.557 60.379 397 HE2 PHE 51 HE2 PHE 51 11.172 56.981 57.245 398 HZ PHE 51 HZ PHE 51 11.485 55.783 59.374 399 HB2 PHE 51 HB2 PHE 51 6.657 56.589 56.290 400 HB3 PHE 51 HB3 PHE 51 5.947 55.798 57.695 401 H THR 52 H THR 52 4.275 53.341 56.689 402 HA THR 52 HA THR 52 4.628 52.079 59.042 403 HB THR 52 HB THR 52 3.047 50.324 58.304 404 HG1 THR 52 HG1 THR 52 2.284 50.834 55.991 405 HG21 THR 52 HG21 THR 52 1.195 51.803 57.760 406 HG22 THR 52 HG22 THR 52 2.321 53.079 57.298 407 HG23 THR 52 HG23 THR 52 2.228 52.551 58.978 408 H ALA 53 H ALA 53 6.202 51.277 56.079 409 HA ALA 53 HA ALA 53 6.874 48.613 56.440 410 HB1 ALA 53 HB1 ALA 53 7.594 50.657 54.681 411 HB2 ALA 53 HB2 ALA 53 9.110 50.072 55.364 412 HB3 ALA 53 HB3 ALA 53 8.011 48.948 54.563 413 H ARG 54 H ARG 54 7.831 51.325 58.274 414 HA ARG 54 HA ARG 54 10.298 50.197 59.251 415 HE ARG 54 HE ARG 54 12.435 50.567 61.777 416 HB2 ARG 54 HB2 ARG 54 9.677 52.699 59.046 417 HB3 ARG 54 HB3 ARG 54 8.799 52.455 60.550 418 HG2 ARG 54 HG2 ARG 54 11.708 51.776 60.242 419 HG3 ARG 54 HG3 ARG 54 11.139 53.366 60.753 420 HD2 ARG 54 HD2 ARG 54 10.899 52.635 62.836 421 HD3 ARG 54 HD3 ARG 54 9.795 51.375 62.285 422 HH11 ARG 54 HH11 ARG 54 10.269 51.123 64.444 423 HH12 ARG 54 HH12 ARG 54 11.034 49.963 65.478 424 HH21 ARG 54 HH21 ARG 54 13.452 49.037 63.128 425 HH22 ARG 54 HH22 ARG 54 12.845 48.776 64.728 426 H LEU 55 H LEU 55 7.395 51.244 61.036 427 HA LEU 55 HA LEU 55 7.951 49.535 63.238 428 HG LEU 55 HG LEU 55 4.170 51.483 63.148 429 HB2 LEU 55 HB2 LEU 55 6.130 50.480 64.255 430 HB3 LEU 55 HB3 LEU 55 6.560 51.733 63.094 431 HD11 LEU 55 HD11 LEU 55 4.647 52.063 61.005 432 HD12 LEU 55 HD12 LEU 55 3.915 50.488 60.702 433 HD13 LEU 55 HD13 LEU 55 5.670 50.653 60.730 434 HD21 LEU 55 HD21 LEU 55 4.577 48.898 63.782 435 HD22 LEU 55 HD22 LEU 55 4.161 48.737 62.075 436 HD23 LEU 55 HD23 LEU 55 3.042 49.530 63.184 437 H GLN 56 H GLN 56 6.444 49.038 60.223 438 HA GLN 56 HA GLN 56 4.537 47.090 60.812 439 HB2 GLN 56 HB2 GLN 56 4.490 47.898 58.621 440 HB3 GLN 56 HB3 GLN 56 6.218 47.664 58.396 441 HG2 GLN 56 HG2 GLN 56 5.989 45.373 58.061 442 HG3 GLN 56 HG3 GLN 56 4.382 45.334 58.782 443 HE21 GLN 56 HE21 GLN 56 4.753 44.128 56.406 444 HE22 GLN 56 HE22 GLN 56 3.994 45.027 55.141 445 H GLN 57 H GLN 57 7.976 46.943 60.875 446 HA GLN 57 HA GLN 57 8.104 44.059 60.718 447 HB2 GLN 57 HB2 GLN 57 10.025 46.287 60.810 448 HB3 GLN 57 HB3 GLN 57 10.553 44.830 61.642 449 HG2 GLN 57 HG2 GLN 57 9.411 44.379 58.981 450 HG3 GLN 57 HG3 GLN 57 10.902 45.320 59.004 451 HE21 GLN 57 HE21 GLN 57 11.118 43.050 57.745 452 HE22 GLN 57 HE22 GLN 57 11.933 41.848 58.678 453 H SER 58 H SER 58 7.766 46.473 63.153 454 HA SER 58 HA SER 58 8.758 44.930 65.341 455 HG SER 58 HG SER 58 9.586 47.109 65.013 456 HB2 SER 58 HB2 SER 58 7.083 47.426 65.137 457 HB3 SER 58 HB3 SER 58 7.414 46.665 66.693 458 H THR 59 H THR 59 5.430 45.962 64.569 459 HA THR 59 HA THR 59 4.002 44.509 66.350 460 HB THR 59 HB THR 59 3.189 46.019 64.383 461 HG1 THR 59 HG1 THR 59 1.089 44.783 64.535 462 HG21 THR 59 HG21 THR 59 2.416 44.956 62.440 463 HG22 THR 59 HG22 THR 59 2.579 43.349 63.147 464 HG23 THR 59 HG23 THR 59 4.018 44.266 62.701 465 H ASP 60 H ASP 60 5.897 43.250 63.770 466 HA ASP 60 HA ASP 60 4.666 40.780 63.328 467 HB2 ASP 60 HB2 ASP 60 7.071 42.057 62.558 468 HB3 ASP 60 HB3 ASP 60 7.521 40.491 63.226 469 H ALA 61 H ALA 61 7.255 41.638 65.614 470 HA ALA 61 HA ALA 61 7.625 39.130 66.757 471 HB1 ALA 61 HB1 ALA 61 8.176 41.915 67.571 472 HB2 ALA 61 HB2 ALA 61 8.160 40.707 68.856 473 HB3 ALA 61 HB3 ALA 61 9.252 40.520 67.485 474 H LEU 62 H LEU 62 5.398 41.728 67.715 475 HA LEU 62 HA LEU 62 4.294 40.273 69.905 476 HG LEU 62 HG LEU 62 2.062 41.702 70.868 477 HB2 LEU 62 HB2 LEU 62 4.280 42.868 69.191 478 HB3 LEU 62 HB3 LEU 62 2.681 42.391 68.625 479 HD11 LEU 62 HD11 LEU 62 4.935 41.926 71.311 480 HD12 LEU 62 HD12 LEU 62 3.721 40.990 72.181 481 HD13 LEU 62 HD13 LEU 62 3.966 42.692 72.570 482 HD21 LEU 62 HD21 LEU 62 2.394 43.990 72.006 483 HD22 LEU 62 HD22 LEU 62 1.495 43.926 70.490 484 HD23 LEU 62 HD23 LEU 62 3.177 44.459 70.496 485 H TYR 63 H TYR 63 3.598 40.499 66.506 486 HA TYR 63 HA TYR 63 0.963 39.417 66.630 487 HD1 TYR 63 HD1 TYR 63 3.969 38.256 63.675 488 HD2 TYR 63 HD2 TYR 63 -0.267 38.634 63.574 489 HE1 TYR 63 HE1 TYR 63 3.850 36.421 62.040 490 HE2 TYR 63 HE2 TYR 63 -0.398 36.801 61.940 491 HH TYR 63 HH TYR 63 0.749 35.400 60.648 492 HB2 TYR 63 HB2 TYR 63 1.087 40.347 64.584 493 HB3 TYR 63 HB3 TYR 63 2.844 40.254 64.556 494 H SER 64 H SER 64 4.169 38.054 65.998 495 HA SER 64 HA SER 64 3.106 35.382 65.690 496 HG SER 64 HG SER 64 5.189 33.804 65.365 497 HB2 SER 64 HB2 SER 64 5.289 36.547 64.645 498 HB3 SER 64 HB3 SER 64 6.024 35.802 66.064 499 H HIS 65 H HIS 65 4.667 37.301 68.160 500 HA HIS 65 HA HIS 65 5.434 35.272 69.924 501 HD1 HIS 65 HD1 HIS 65 7.264 37.222 72.552 502 HD2 HIS 65 HD2 HIS 65 3.129 36.869 72.732 503 HE1 HIS 65 HE1 HIS 65 6.723 36.898 74.986 504 HB2 HIS 65 HB2 HIS 65 6.233 37.477 70.331 505 HB3 HIS 65 HB3 HIS 65 4.600 38.133 70.395 506 H LEU 66 H LEU 66 2.427 37.186 69.882 507 HA LEU 66 HA LEU 66 1.206 35.635 71.947 508 HG LEU 66 HG LEU 66 -1.400 35.953 71.815 509 HB2 LEU 66 HB2 LEU 66 0.648 38.000 71.471 510 HB3 LEU 66 HB3 LEU 66 -0.081 37.491 69.949 511 HD11 LEU 66 HD11 LEU 66 -0.851 36.946 73.784 512 HD12 LEU 66 HD12 LEU 66 -2.193 37.990 73.313 513 HD13 LEU 66 HD13 LEU 66 -0.530 38.511 73.037 514 HD21 LEU 66 HD21 LEU 66 -3.131 37.952 71.486 515 HD22 LEU 66 HD22 LEU 66 -2.756 36.799 70.204 516 HD23 LEU 66 HD23 LEU 66 -1.977 38.381 70.222 517 H GLU 67 H GLU 67 0.766 35.831 68.423 518 HA GLU 67 HA GLU 67 -1.255 33.911 68.204 519 HB2 GLU 67 HB2 GLU 67 -0.393 35.528 66.423 520 HB3 GLU 67 HB3 GLU 67 0.883 34.355 66.127 521 HG2 GLU 67 HG2 GLU 67 -1.872 33.309 66.114 522 HG3 GLU 67 HG3 GLU 67 -1.439 34.395 64.795 523 H ALA 68 H ALA 68 2.234 33.585 68.397 524 HA ALA 68 HA ALA 68 2.168 30.744 67.848 525 HB1 ALA 68 HB1 ALA 68 4.542 30.800 68.063 526 HB2 ALA 68 HB2 ALA 68 4.055 32.232 67.155 527 HB3 ALA 68 HB3 ALA 68 4.491 32.373 68.858 528 H GLN 69 H GLN 69 3.089 32.769 70.639 529 HA GLN 69 HA GLN 69 3.328 30.584 72.429 530 HB2 GLN 69 HB2 GLN 69 4.247 33.031 72.585 531 HB3 GLN 69 HB3 GLN 69 2.706 33.361 73.364 532 HG2 GLN 69 HG2 GLN 69 3.915 31.012 74.492 533 HG3 GLN 69 HG3 GLN 69 5.035 32.372 74.540 534 HE21 GLN 69 HE21 GLN 69 4.738 32.092 76.874 535 HE22 GLN 69 HE22 GLN 69 3.409 32.887 77.638 536 H TRP 70 H TRP 70 0.836 33.127 72.194 537 HA TRP 70 HA TRP 70 -0.919 32.001 74.064 538 HD1 TRP 70 HD1 TRP 70 -4.396 34.171 72.372 539 HE1 TRP 70 HE1 TRP 70 -5.717 34.499 74.556 540 HE3 TRP 70 HE3 TRP 70 -0.625 33.374 75.730 541 HZ2 TRP 70 HZ2 TRP 70 -5.226 34.431 77.335 542 HZ3 TRP 70 HZ3 TRP 70 -1.134 33.525 78.133 543 HH2 TRP 70 HH2 TRP 70 -3.387 34.043 78.917 544 HB2 TRP 70 HB2 TRP 70 -0.885 34.352 72.848 545 HB3 TRP 70 HB3 TRP 70 -2.003 33.547 71.750 546 H ALA 71 H ALA 71 -0.271 31.184 70.777 547 HA ALA 71 HA ALA 71 -2.560 30.062 69.824 548 HB1 ALA 71 HB1 ALA 71 -0.438 28.216 69.314 549 HB2 ALA 71 HB2 ALA 71 -1.181 29.388 68.224 550 HB3 ALA 71 HB3 ALA 71 0.185 29.864 69.234 551 H LYS 72 H LYS 72 -0.307 28.594 72.134 552 HA LYS 72 HA LYS 72 -1.281 26.057 72.359 553 HB2 LYS 72 HB2 LYS 72 -0.470 27.840 74.663 554 HB3 LYS 72 HB3 LYS 72 -0.535 26.084 74.699 555 HG2 LYS 72 HG2 LYS 72 1.254 27.688 72.886 556 HG3 LYS 72 HG3 LYS 72 1.749 26.988 74.428 557 HD2 LYS 72 HD2 LYS 72 2.425 25.323 73.015 558 HD3 LYS 72 HD3 LYS 72 0.773 24.788 73.333 559 HE2 LYS 72 HE2 LYS 72 0.215 25.013 71.191 560 HE3 LYS 72 HE3 LYS 72 0.843 26.660 71.142 561 HZ1 LYS 72 HZ1 LYS 72 3.079 25.111 71.155 562 HZ2 LYS 72 HZ2 LYS 72 2.391 25.843 69.792 563 HZ3 LYS 72 HZ3 LYS 72 2.017 24.237 70.170 564 H GLN 73 H GLN 73 -2.733 29.008 73.578 565 HA GLN 73 HA GLN 73 -4.582 28.122 75.373 566 HB2 GLN 73 HB2 GLN 73 -4.726 30.256 73.269 567 HB3 GLN 73 HB3 GLN 73 -6.114 29.929 74.299 568 HG2 GLN 73 HG2 GLN 73 -3.365 30.692 75.259 569 HG3 GLN 73 HG3 GLN 73 -4.753 31.773 75.140 570 HE21 GLN 73 HE21 GLN 73 -3.395 29.023 76.808 571 HE22 GLN 73 HE22 GLN 73 -4.418 29.112 78.198 572 H HIS 74 H HIS 74 -5.258 28.441 71.882 573 HA HIS 74 HA HIS 74 -6.978 26.069 72.072 574 HD1 HIS 74 HD1 HIS 74 -8.872 28.973 73.645 575 HD2 HIS 74 HD2 HIS 74 -10.130 25.675 71.454 576 HE1 HIS 74 HE1 HIS 74 -10.828 28.030 74.912 577 HB2 HIS 74 HB2 HIS 74 -7.783 28.817 71.359 578 HB3 HIS 74 HB3 HIS 74 -8.358 27.564 70.265 579 H GLY 75 H GLY 75 -5.614 28.453 69.792 580 HA2 GLY 75 HA2 GLY 75 -4.078 27.871 68.072 581 HA3 GLY 75 HA3 GLY 75 -4.662 26.215 68.150 582 H THR 76 H THR 76 -7.484 27.394 68.207 583 HA THR 76 HA THR 76 -7.812 27.385 65.323 584 HB THR 76 HB THR 76 -9.793 26.464 65.757 585 HG1 THR 76 HG1 THR 76 -11.312 27.684 67.179 586 HG21 THR 76 HG21 THR 76 -9.375 26.903 68.706 587 HG22 THR 76 HG22 THR 76 -8.484 25.684 67.796 588 HG23 THR 76 HG23 THR 76 -10.243 25.591 67.907 589 HA PRO 77 HA PRO 77 -9.753 31.684 66.439 590 HB2 PRO 77 HB2 PRO 77 -9.174 32.678 68.897 591 HB3 PRO 77 HB3 PRO 77 -10.591 31.671 68.578 592 HG2 PRO 77 HG2 PRO 77 -7.947 30.902 69.750 593 HG3 PRO 77 HG3 PRO 77 -9.577 30.422 70.257 594 HD2 PRO 77 HD2 PRO 77 -7.981 28.816 68.771 595 HD3 PRO 77 HD3 PRO 77 -9.750 28.814 68.615 596 HA PRO 78 HA PRO 78 -5.261 33.317 67.480 597 HB2 PRO 78 HB2 PRO 78 -3.353 31.396 67.291 598 HB3 PRO 78 HB3 PRO 78 -4.159 31.803 68.810 599 HG2 PRO 78 HG2 PRO 78 -4.707 29.546 66.921 600 HG3 PRO 78 HG3 PRO 78 -4.639 29.531 68.693 601 HD2 PRO 78 HD2 PRO 78 -6.975 29.597 67.325 602 HD3 PRO 78 HD3 PRO 78 -6.773 30.376 68.908 603 H THR 79 H THR 79 -5.716 34.222 65.429 604 HA THR 79 HA THR 79 -4.035 33.158 63.300 605 HB THR 79 HB THR 79 -6.934 33.842 62.781 606 HG1 THR 79 HG1 THR 79 -6.888 31.853 63.787 607 HG21 THR 79 HG21 THR 79 -6.488 32.953 60.544 608 HG22 THR 79 HG22 THR 79 -4.804 32.671 60.985 609 HG23 THR 79 HG23 THR 79 -5.430 34.318 60.904 610 H ALA 80 H ALA 80 -3.586 34.709 61.621 611 HA ALA 80 HA ALA 80 -2.887 37.213 62.457 612 HB1 ALA 80 HB1 ALA 80 -2.323 35.991 60.267 613 HB2 ALA 80 HB2 ALA 80 -3.767 36.774 59.626 614 HB3 ALA 80 HB3 ALA 80 -2.432 37.752 60.237 615 H SER 81 H SER 81 -6.037 36.094 61.692 616 HA SER 81 HA SER 81 -7.164 38.693 61.167 617 HG SER 81 HG SER 81 -9.679 38.338 61.678 618 HB2 SER 81 HB2 SER 81 -8.076 36.557 60.203 619 HB3 SER 81 HB3 SER 81 -8.627 36.127 61.823 620 H ASP 82 H ASP 82 -6.948 36.478 63.893 621 HA ASP 82 HA ASP 82 -8.519 38.265 65.576 622 HB2 ASP 82 HB2 ASP 82 -7.199 35.624 66.240 623 HB3 ASP 82 HB3 ASP 82 -8.303 36.517 67.283 624 H VAL 83 H VAL 83 -5.293 36.748 65.687 625 HA VAL 83 HA VAL 83 -4.214 37.989 67.861 626 HB VAL 83 HB VAL 83 -2.820 37.440 65.238 627 HG11 VAL 83 HG11 VAL 83 -1.046 38.459 66.105 628 HG12 VAL 83 HG12 VAL 83 -1.887 38.732 67.632 629 HG13 VAL 83 HG13 VAL 83 -1.014 37.224 67.362 630 HG21 VAL 83 HG21 VAL 83 -2.153 35.635 67.348 631 HG22 VAL 83 HG22 VAL 83 -3.907 35.708 67.184 632 HG23 VAL 83 HG23 VAL 83 -2.908 35.290 65.792 633 H VAL 84 H VAL 84 -4.614 39.341 64.627 634 HA VAL 84 HA VAL 84 -3.114 41.622 64.737 635 HB VAL 84 HB VAL 84 -4.261 41.221 62.724 636 HG11 VAL 84 HG11 VAL 84 -6.721 41.103 64.432 637 HG12 VAL 84 HG12 VAL 84 -6.828 41.383 62.693 638 HG13 VAL 84 HG13 VAL 84 -6.091 39.902 63.305 639 HG21 VAL 84 HG21 VAL 84 -5.647 43.294 62.392 640 HG22 VAL 84 HG22 VAL 84 -5.448 43.612 64.115 641 HG23 VAL 84 HG23 VAL 84 -4.037 43.564 63.058 642 H GLY 85 H GLY 85 -6.146 40.974 66.381 643 HA2 GLY 85 HA2 GLY 85 -5.720 43.377 67.997 644 HA3 GLY 85 HA3 GLY 85 -7.254 43.231 67.152 645 H MET 86 H MET 86 -5.883 40.278 68.178 646 HA MET 86 HA MET 86 -8.066 39.774 69.948 647 HB2 MET 86 HB2 MET 86 -7.249 37.910 68.737 648 HB3 MET 86 HB3 MET 86 -5.587 38.226 69.220 649 HG2 MET 86 HG2 MET 86 -5.947 37.435 71.392 650 HG3 MET 86 HG3 MET 86 -7.699 37.514 71.221 651 HE1 MET 86 HE1 MET 86 -4.589 34.722 70.464 652 HE2 MET 86 HE2 MET 86 -5.043 34.832 68.762 653 HE3 MET 86 HE3 MET 86 -4.597 36.288 69.650 654 HA PRO 87 HA PRO 87 -4.524 40.001 73.266 655 HB2 PRO 87 HB2 PRO 87 -2.314 41.401 72.539 656 HB3 PRO 87 HB3 PRO 87 -2.471 39.657 72.293 657 HG2 PRO 87 HG2 PRO 87 -2.876 41.890 70.341 658 HG3 PRO 87 HG3 PRO 87 -2.049 40.340 70.110 659 HD2 PRO 87 HD2 PRO 87 -4.575 40.787 69.243 660 HD3 PRO 87 HD3 PRO 87 -4.023 39.191 69.792 661 H GLN 88 H GLN 88 -3.085 42.154 74.108 662 HA GLN 88 HA GLN 88 -5.133 44.087 74.589 663 HB2 GLN 88 HB2 GLN 88 -3.354 45.263 75.889 664 HB3 GLN 88 HB3 GLN 88 -3.595 43.587 76.364 665 HG2 GLN 88 HG2 GLN 88 -1.649 43.252 74.560 666 HG3 GLN 88 HG3 GLN 88 -1.270 44.887 75.100 667 HE21 GLN 88 HE21 GLN 88 -0.859 45.228 77.344 668 HE22 GLN 88 HE22 GLN 88 -0.259 43.940 78.326 669 H TRP 89 H TRP 89 -1.940 44.282 73.016 670 HA TRP 89 HA TRP 89 -1.874 46.865 72.206 671 HD1 TRP 89 HD1 TRP 89 -2.335 45.928 68.552 672 HE1 TRP 89 HE1 TRP 89 -2.447 43.926 66.938 673 HE3 TRP 89 HE3 TRP 89 0.329 42.530 71.288 674 HZ2 TRP 89 HZ2 TRP 89 -1.527 41.259 66.838 675 HZ3 TRP 89 HZ3 TRP 89 0.668 40.276 70.362 676 HH2 TRP 89 HH2 TRP 89 -0.242 39.655 68.184 677 HB2 TRP 89 HB2 TRP 89 -0.278 46.250 70.662 678 HB3 TRP 89 HB3 TRP 89 -0.299 44.812 71.679 679 H GLN 90 H GLN 90 -4.107 44.464 71.164 680 HA GLN 90 HA GLN 90 -4.915 45.192 68.678 681 HB2 GLN 90 HB2 GLN 90 -7.086 44.346 69.194 682 HB3 GLN 90 HB3 GLN 90 -5.928 43.408 70.128 683 HG2 GLN 90 HG2 GLN 90 -7.616 43.811 71.647 684 HG3 GLN 90 HG3 GLN 90 -6.439 45.068 72.025 685 HE21 GLN 90 HE21 GLN 90 -8.483 45.915 73.036 686 HE22 GLN 90 HE22 GLN 90 -9.468 46.945 72.059 687 H GLU 91 H GLU 91 -5.793 46.822 71.703 688 HA GLU 91 HA GLU 91 -7.311 48.845 70.306 689 HB2 GLU 91 HB2 GLU 91 -7.355 47.842 72.877 690 HB3 GLU 91 HB3 GLU 91 -6.606 49.418 73.084 691 HG2 GLU 91 HG2 GLU 91 -8.482 50.531 72.157 692 HG3 GLU 91 HG3 GLU 91 -9.191 49.013 71.611 693 H TYR 92 H TYR 92 -4.188 48.576 71.922 694 HA TYR 92 HA TYR 92 -3.472 51.289 71.840 695 HD1 TYR 92 HD1 TYR 92 -3.298 47.836 73.521 696 HD2 TYR 92 HD2 TYR 92 -1.229 51.501 74.149 697 HE1 TYR 92 HE1 TYR 92 -3.713 47.650 75.939 698 HE2 TYR 92 HE2 TYR 92 -1.638 51.324 76.568 699 HH TYR 92 HH TYR 92 -2.141 49.046 78.188 700 HB2 TYR 92 HB2 TYR 92 -1.745 48.807 71.807 701 HB3 TYR 92 HB3 TYR 92 -1.126 50.439 72.034 702 H THR 93 H THR 93 -2.267 48.684 69.720 703 HA THR 93 HA THR 93 -0.928 50.143 67.858 704 HB THR 93 HB THR 93 -1.225 47.622 67.907 705 HG1 THR 93 HG1 THR 93 -1.616 48.525 65.275 706 HG21 THR 93 HG21 THR 93 -3.779 47.855 67.778 707 HG22 THR 93 HG22 THR 93 -3.022 46.603 66.795 708 HG23 THR 93 HG23 THR 93 -3.537 48.117 66.052 709 H ALA 94 H ALA 94 -4.399 49.852 68.199 710 HA ALA 94 HA ALA 94 -4.958 51.180 65.695 711 HB1 ALA 94 HB1 ALA 94 -7.331 51.225 66.860 712 HB2 ALA 94 HB2 ALA 94 -6.676 49.751 66.146 713 HB3 ALA 94 HB3 ALA 94 -6.579 50.006 67.890 714 H MET 95 H MET 95 -5.116 51.990 69.147 715 HA MET 95 HA MET 95 -6.273 54.445 69.133 716 HB2 MET 95 HB2 MET 95 -4.320 53.086 70.811 717 HB3 MET 95 HB3 MET 95 -4.105 54.831 70.826 718 HG2 MET 95 HG2 MET 95 -6.513 55.060 71.392 719 HG3 MET 95 HG3 MET 95 -6.598 53.306 71.527 720 HE1 MET 95 HE1 MET 95 -5.622 56.583 73.856 721 HE2 MET 95 HE2 MET 95 -7.131 55.892 73.259 722 HE3 MET 95 HE3 MET 95 -6.609 55.571 74.913 723 H LEU 96 H LEU 96 -3.280 53.580 67.669 724 HA LEU 96 HA LEU 96 -2.190 56.223 67.520 725 HG LEU 96 HG LEU 96 -1.467 52.712 67.537 726 HB2 LEU 96 HB2 LEU 96 -1.426 54.081 65.598 727 HB3 LEU 96 HB3 LEU 96 -0.419 55.291 66.391 728 HD11 LEU 96 HD11 LEU 96 1.344 53.408 67.841 729 HD12 LEU 96 HD12 LEU 96 0.837 53.283 66.156 730 HD13 LEU 96 HD13 LEU 96 0.599 51.922 67.251 731 HD21 LEU 96 HD21 LEU 96 -0.032 54.934 68.990 732 HD22 LEU 96 HD22 LEU 96 -0.473 53.361 69.655 733 HD23 LEU 96 HD23 LEU 96 -1.732 54.506 69.193 734 H ARG 97 H ARG 97 -3.614 54.044 65.080 735 HA ARG 97 HA ARG 97 -3.824 56.184 63.160 736 HE ARG 97 HE ARG 97 -6.136 51.061 61.849 737 HB2 ARG 97 HB2 ARG 97 -4.924 54.464 61.743 738 HB3 ARG 97 HB3 ARG 97 -3.349 53.963 62.344 739 HG2 ARG 97 HG2 ARG 97 -4.896 52.938 64.273 740 HG3 ARG 97 HG3 ARG 97 -6.033 52.887 62.925 741 HD2 ARG 97 HD2 ARG 97 -3.423 51.969 62.110 742 HD3 ARG 97 HD3 ARG 97 -4.002 51.058 63.503 743 HH11 ARG 97 HH11 ARG 97 -2.784 50.232 61.411 744 HH12 ARG 97 HH12 ARG 97 -3.101 49.043 60.192 745 HH21 ARG 97 HH21 ARG 97 -6.568 49.497 60.245 746 HH22 ARG 97 HH22 ARG 97 -5.254 48.626 59.528 747 H GLU 98 H GLU 98 -6.124 54.171 64.986 748 HA GLU 98 HA GLU 98 -8.471 55.371 64.064 749 HB2 GLU 98 HB2 GLU 98 -8.535 53.286 65.283 750 HB3 GLU 98 HB3 GLU 98 -7.871 54.057 66.717 751 HG2 GLU 98 HG2 GLU 98 -9.848 55.120 67.228 752 HG3 GLU 98 HG3 GLU 98 -10.442 55.039 65.571 753 H ARG 99 H ARG 99 -6.654 56.046 67.056 754 HA ARG 99 HA ARG 99 -8.152 58.541 67.365 755 HE ARG 99 HE ARG 99 -8.716 56.850 71.371 756 HB2 ARG 99 HB2 ARG 99 -7.677 56.766 69.242 757 HB3 ARG 99 HB3 ARG 99 -6.121 57.580 69.340 758 HG2 ARG 99 HG2 ARG 99 -7.261 58.775 70.895 759 HG3 ARG 99 HG3 ARG 99 -7.662 59.725 69.463 760 HD2 ARG 99 HD2 ARG 99 -9.713 59.414 70.539 761 HD3 ARG 99 HD3 ARG 99 -9.710 58.205 69.257 762 HH11 ARG 99 HH11 ARG 99 -11.556 58.813 70.923 763 HH12 ARG 99 HH12 ARG 99 -12.503 57.939 72.082 764 HH21 ARG 99 HH21 ARG 99 -9.952 55.692 72.900 765 HH22 ARG 99 HH22 ARG 99 -11.589 56.165 73.206 766 H PHE 100 H PHE 100 -5.930 58.004 65.392 767 HA PHE 100 HA PHE 100 -3.544 59.201 66.019 768 HD1 PHE 100 HD1 PHE 100 -6.789 58.983 63.262 769 HD2 PHE 100 HD2 PHE 100 -3.343 61.410 62.668 770 HE1 PHE 100 HE1 PHE 100 -8.082 60.446 61.765 771 HE2 PHE 100 HE2 PHE 100 -4.631 62.878 61.171 772 HZ PHE 100 HZ PHE 100 -7.005 62.397 60.718 773 HB2 PHE 100 HB2 PHE 100 -3.144 59.338 63.752 774 HB3 PHE 100 HB3 PHE 100 -4.472 58.182 63.769 775 H ALA 101 H ALA 101 -6.630 60.659 65.876 776 HA ALA 101 HA ALA 101 -6.138 63.273 65.160 777 HB1 ALA 101 HB1 ALA 101 -7.915 62.558 67.475 778 HB2 ALA 101 HB2 ALA 101 -8.104 63.866 66.305 779 HB3 ALA 101 HB3 ALA 101 -8.348 62.191 65.805 780 H GLY 102 H GLY 102 -4.877 61.566 67.830 781 HA2 GLY 102 HA2 GLY 102 -3.681 64.055 68.833 782 HA3 GLY 102 HA3 GLY 102 -4.496 62.989 69.969 783 H LEU 103 H LEU 103 -2.202 62.515 67.277 784 HA LEU 103 HA LEU 103 -0.871 60.370 68.565 785 HG LEU 103 HG LEU 103 -1.985 60.465 65.864 786 HB2 LEU 103 HB2 LEU 103 -0.124 62.115 66.231 787 HB3 LEU 103 HB3 LEU 103 0.871 60.768 66.781 788 HD11 LEU 103 HD11 LEU 103 0.342 61.002 64.309 789 HD12 LEU 103 HD12 LEU 103 -1.303 60.669 63.767 790 HD13 LEU 103 HD13 LEU 103 -0.171 59.341 64.017 791 HD21 LEU 103 HD21 LEU 103 -0.763 58.093 65.466 792 HD22 LEU 103 HD22 LEU 103 -1.645 58.512 66.935 793 HD23 LEU 103 HD23 LEU 103 0.111 58.666 66.888 794 H ASP 104 H ASP 104 0.070 60.761 70.486 795 HA ASP 104 HA ASP 104 2.419 62.434 70.529 796 HB2 ASP 104 HB2 ASP 104 -0.059 63.143 72.063 797 HB3 ASP 104 HB3 ASP 104 1.525 63.527 72.729 798 H THR 105 H THR 105 3.703 62.129 72.470 799 HA THR 105 HA THR 105 3.747 59.426 73.306 800 HB THR 105 HB THR 105 5.795 60.767 73.172 801 HG1 THR 105 HG1 THR 105 6.681 59.768 74.879 802 HG21 THR 105 HG21 THR 105 5.043 62.160 75.714 803 HG22 THR 105 HG22 THR 105 4.562 62.835 74.158 804 HG23 THR 105 HG23 THR 105 6.270 62.593 74.524 805 H ILE 106 H ILE 106 2.074 58.688 74.493 806 HA ILE 106 HA ILE 106 0.503 60.066 76.294 807 HB ILE 106 HB ILE 106 -0.206 57.955 77.186 808 HG12 ILE 106 HG12 ILE 106 1.916 56.908 77.651 809 HG13 ILE 106 HG13 ILE 106 1.001 55.849 76.584 810 HG21 ILE 106 HG21 ILE 106 -0.132 56.646 74.802 811 HG22 ILE 106 HG22 ILE 106 -1.268 57.928 75.213 812 HG23 ILE 106 HG23 ILE 106 0.196 58.306 74.307 813 HD11 ILE 106 HD11 ILE 106 3.314 57.624 75.869 814 HD12 ILE 106 HD12 ILE 106 3.243 55.863 75.828 815 HD13 ILE 106 HD13 ILE 106 2.302 56.811 74.675 Start of MODEL 19 1 H LYS 1 H LYS 1 32.414 67.348 58.862 2 HA LYS 1 HA LYS 1 33.115 66.632 60.905 3 HB2 LYS 1 HB2 LYS 1 34.797 67.989 62.109 4 HB3 LYS 1 HB3 LYS 1 35.203 67.762 60.413 5 HG2 LYS 1 HG2 LYS 1 34.003 70.060 60.116 6 HG3 LYS 1 HG3 LYS 1 34.332 70.228 61.842 7 HD2 LYS 1 HD2 LYS 1 36.281 71.098 61.091 8 HD3 LYS 1 HD3 LYS 1 36.744 69.397 60.995 9 HE2 LYS 1 HE2 LYS 1 37.353 70.269 58.917 10 HE3 LYS 1 HE3 LYS 1 35.808 69.478 58.610 11 HZ1 LYS 1 HZ1 LYS 1 34.896 71.852 59.140 12 HZ2 LYS 1 HZ2 LYS 1 35.478 71.478 57.596 13 HZ3 LYS 1 HZ3 LYS 1 36.450 72.337 58.681 14 H GLN 2 H GLN 2 30.574 67.745 60.736 15 HA GLN 2 HA GLN 2 30.247 68.706 63.479 16 HB2 GLN 2 HB2 GLN 2 29.510 70.164 61.008 17 HB3 GLN 2 HB3 GLN 2 28.311 70.159 62.294 18 HG2 GLN 2 HG2 GLN 2 29.420 71.974 62.989 19 HG3 GLN 2 HG3 GLN 2 30.516 70.791 63.701 20 HE21 GLN 2 HE21 GLN 2 30.032 73.069 61.125 21 HE22 GLN 2 HE22 GLN 2 31.672 73.118 60.586 22 H GLN 3 H GLN 3 28.044 68.453 64.288 23 HA GLN 3 HA GLN 3 26.203 67.183 64.696 24 HB2 GLN 3 HB2 GLN 3 26.120 67.042 61.678 25 HB3 GLN 3 HB3 GLN 3 24.807 66.564 62.746 26 HG2 GLN 3 HG2 GLN 3 24.084 68.648 62.914 27 HG3 GLN 3 HG3 GLN 3 25.689 69.235 63.347 28 HE21 GLN 3 HE21 GLN 3 25.912 70.993 62.121 29 HE22 GLN 3 HE22 GLN 3 25.780 71.028 60.399 30 H LEU 4 H LEU 4 28.633 65.854 64.890 31 HA LEU 4 HA LEU 4 28.511 63.338 63.507 32 HG LEU 4 HG LEU 4 30.593 64.230 62.864 33 HB2 LEU 4 HB2 LEU 4 30.211 64.386 65.754 34 HB3 LEU 4 HB3 LEU 4 30.344 62.733 65.158 35 HD11 LEU 4 HD11 LEU 4 32.530 65.577 64.619 36 HD12 LEU 4 HD12 LEU 4 30.859 66.119 64.772 37 HD13 LEU 4 HD13 LEU 4 31.666 66.177 63.204 38 HD21 LEU 4 HD21 LEU 4 32.416 62.782 64.697 39 HD22 LEU 4 HD22 LEU 4 33.152 63.796 63.456 40 HD23 LEU 4 HD23 LEU 4 32.052 62.496 62.994 41 H GLN 5 H GLN 5 28.148 61.287 64.450 42 HA GLN 5 HA GLN 5 26.096 61.321 66.491 43 HB2 GLN 5 HB2 GLN 5 27.175 59.284 64.590 44 HB3 GLN 5 HB3 GLN 5 26.288 58.737 66.007 45 HG2 GLN 5 HG2 GLN 5 24.447 58.994 64.804 46 HG3 GLN 5 HG3 GLN 5 24.689 60.732 64.973 47 HE21 GLN 5 HE21 GLN 5 24.670 61.822 63.154 48 HE22 GLN 5 HE22 GLN 5 25.090 61.214 61.592 49 H GLU 6 H GLU 6 29.314 59.882 66.054 50 HA GLU 6 HA GLU 6 29.685 58.379 68.240 51 HB2 GLU 6 HB2 GLU 6 31.389 59.936 66.549 52 HB3 GLU 6 HB3 GLU 6 31.952 60.085 68.207 53 HG2 GLU 6 HG2 GLU 6 31.383 57.366 67.817 54 HG3 GLU 6 HG3 GLU 6 32.248 57.906 66.379 55 H HIS 7 H HIS 7 30.310 61.893 68.322 56 HA HIS 7 HA HIS 7 30.838 62.327 70.921 57 HD1 HIS 7 HD1 HIS 7 30.968 65.008 67.574 58 HD2 HIS 7 HD2 HIS 7 32.201 64.555 71.516 59 HE1 HIS 7 HE1 HIS 7 33.259 66.038 67.685 60 HB2 HIS 7 HB2 HIS 7 29.250 63.898 68.940 61 HB3 HIS 7 HB3 HIS 7 29.274 64.445 70.614 62 H ALA 8 H ALA 8 27.530 62.093 69.620 63 HA ALA 8 HA ALA 8 26.272 62.243 72.162 64 HB1 ALA 8 HB1 ALA 8 24.553 60.897 70.386 65 HB2 ALA 8 HB2 ALA 8 24.536 62.606 70.829 66 HB3 ALA 8 HB3 ALA 8 25.459 62.066 69.425 67 HA PRO 9 HA PRO 9 26.502 58.138 73.693 68 HB2 PRO 9 HB2 PRO 9 24.046 57.808 74.802 69 HB3 PRO 9 HB3 PRO 9 25.285 58.856 75.505 70 HG2 PRO 9 HG2 PRO 9 22.933 59.583 73.802 71 HG3 PRO 9 HG3 PRO 9 23.554 60.387 75.256 72 HD2 PRO 9 HD2 PRO 9 24.065 61.297 72.757 73 HD3 PRO 9 HD3 PRO 9 25.218 61.479 74.094 74 H SER 10 H SER 10 23.394 58.757 72.056 75 HA SER 10 HA SER 10 23.424 55.990 71.069 76 HG SER 10 HG SER 10 21.000 58.816 71.734 77 HB2 SER 10 HB2 SER 10 21.052 56.235 70.668 78 HB3 SER 10 HB3 SER 10 21.400 56.786 72.307 79 H HIS 11 H HIS 11 22.606 55.660 68.832 80 HA HIS 11 HA HIS 11 24.076 57.322 67.015 81 HD1 HIS 11 HD1 HIS 11 24.073 54.767 63.798 82 HD2 HIS 11 HD2 HIS 11 25.860 55.250 67.518 83 HE1 HIS 11 HE1 HIS 11 26.499 54.205 63.455 84 HB2 HIS 11 HB2 HIS 11 22.768 54.721 66.951 85 HB3 HIS 11 HB3 HIS 11 22.482 55.640 65.477 86 H ALA 12 H ALA 12 20.640 56.351 67.030 87 HA ALA 12 HA ALA 12 19.824 59.073 66.475 88 HB1 ALA 12 HB1 ALA 12 19.997 58.737 64.248 89 HB2 ALA 12 HB2 ALA 12 19.895 56.982 64.393 90 HB3 ALA 12 HB3 ALA 12 18.429 57.960 64.472 91 H ASN 13 H ASN 13 17.798 59.493 67.196 92 HA ASN 13 HA ASN 13 16.540 57.856 69.013 93 HB2 ASN 13 HB2 ASN 13 15.639 60.193 67.383 94 HB3 ASN 13 HB3 ASN 13 14.435 59.293 68.301 95 HD21 ASN 13 HD21 ASN 13 16.329 61.908 68.410 96 HD22 ASN 13 HD22 ASN 13 16.557 62.059 70.116 97 H LEU 14 H LEU 14 15.972 58.107 65.536 98 HA LEU 14 HA LEU 14 13.688 56.486 65.394 99 HG LEU 14 HG LEU 14 16.962 56.790 63.735 100 HB2 LEU 14 HB2 LEU 14 14.117 56.320 63.056 101 HB3 LEU 14 HB3 LEU 14 14.554 57.945 63.579 102 HD11 LEU 14 HD11 LEU 14 17.094 54.812 62.748 103 HD12 LEU 14 HD12 LEU 14 16.534 55.532 61.239 104 HD13 LEU 14 HD13 LEU 14 15.370 54.860 62.380 105 HD21 LEU 14 HD21 LEU 14 17.507 57.944 61.782 106 HD22 LEU 14 HD22 LEU 14 16.089 58.796 62.392 107 HD23 LEU 14 HD23 LEU 14 15.925 57.657 61.057 108 H ASP 15 H ASP 15 17.109 55.703 65.481 109 HA ASP 15 HA ASP 15 16.939 53.004 64.723 110 HB2 ASP 15 HB2 ASP 15 18.944 54.782 65.733 111 HB3 ASP 15 HB3 ASP 15 19.015 53.272 66.638 112 H VAL 16 H VAL 16 15.601 51.602 65.667 113 HA VAL 16 HA VAL 16 15.863 51.151 68.536 114 HB VAL 16 HB VAL 16 13.187 51.611 67.210 115 HG11 VAL 16 HG11 VAL 16 13.900 50.682 69.986 116 HG12 VAL 16 HG12 VAL 16 12.303 51.278 69.528 117 HG13 VAL 16 HG13 VAL 16 12.953 49.822 68.772 118 HG21 VAL 16 HG21 VAL 16 13.171 53.325 69.225 119 HG22 VAL 16 HG22 VAL 16 14.917 53.242 68.993 120 HG23 VAL 16 HG23 VAL 16 13.875 53.743 67.663 121 H LYS 17 H LYS 17 16.306 49.069 68.753 122 HA LYS 17 HA LYS 17 16.119 47.129 66.790 123 HB2 LYS 17 HB2 LYS 17 16.278 45.484 68.704 124 HB3 LYS 17 HB3 LYS 17 17.531 46.717 68.655 125 HG2 LYS 17 HG2 LYS 17 16.247 48.010 70.342 126 HG3 LYS 17 HG3 LYS 17 15.116 46.658 70.453 127 HD2 LYS 17 HD2 LYS 17 16.566 46.232 72.207 128 HD3 LYS 17 HD3 LYS 17 17.251 45.249 70.912 129 HE2 LYS 17 HE2 LYS 17 18.474 47.693 70.565 130 HE3 LYS 17 HE3 LYS 17 18.370 47.543 72.319 131 HZ1 LYS 17 HZ1 LYS 17 20.017 46.083 72.297 132 HZ2 LYS 17 HZ2 LYS 17 20.215 46.351 70.639 133 HZ3 LYS 17 HZ3 LYS 17 19.216 45.098 71.180 134 H TRP 18 H TRP 18 14.712 45.356 66.467 135 HA TRP 18 HA TRP 18 12.010 45.930 66.387 136 HD1 TRP 18 HD1 TRP 18 14.434 43.474 68.271 137 HE1 TRP 18 HE1 TRP 18 16.441 41.948 67.751 138 HE3 TRP 18 HE3 TRP 18 13.458 42.501 63.347 139 HZ2 TRP 18 HZ2 TRP 18 17.473 40.522 65.545 140 HZ3 TRP 18 HZ3 TRP 18 15.006 41.048 62.104 141 HH2 TRP 18 HH2 TRP 18 16.971 40.079 63.181 142 HB2 TRP 18 HB2 TRP 18 11.835 43.296 66.315 143 HB3 TRP 18 HB3 TRP 18 12.570 44.189 64.988 144 H LEU 19 H LEU 19 10.353 44.272 67.445 145 HA LEU 19 HA LEU 19 10.300 44.923 70.215 146 HG LEU 19 HG LEU 19 8.229 42.929 71.193 147 HB2 LEU 19 HB2 LEU 19 8.298 44.690 68.747 148 HB3 LEU 19 HB3 LEU 19 8.571 42.949 68.735 149 HD11 LEU 19 HD11 LEU 19 7.962 45.841 70.708 150 HD12 LEU 19 HD12 LEU 19 8.646 44.977 72.085 151 HD13 LEU 19 HD13 LEU 19 6.896 45.106 71.905 152 HD21 LEU 19 HD21 LEU 19 6.206 43.587 69.172 153 HD22 LEU 19 HD22 LEU 19 5.701 43.854 70.840 154 HD23 LEU 19 HD23 LEU 19 6.265 42.261 70.335 155 H ASP 20 H ASP 20 11.003 41.993 68.387 156 HA ASP 20 HA ASP 20 11.121 40.227 70.587 157 HB2 ASP 20 HB2 ASP 20 11.458 40.054 67.792 158 HB3 ASP 20 HB3 ASP 20 12.949 39.447 68.505 159 H GLY 21 H GLY 21 12.933 39.349 71.672 160 HA2 GLY 21 HA2 GLY 21 14.772 39.773 73.027 161 HA3 GLY 21 HA3 GLY 21 15.570 39.790 71.461 162 H LEU 22 H LEU 22 13.899 41.860 73.800 163 HA LEU 22 HA LEU 22 15.354 44.170 72.709 164 HG LEU 22 HG LEU 22 14.558 46.326 73.294 165 HB2 LEU 22 HB2 LEU 22 12.759 44.052 73.042 166 HB3 LEU 22 HB3 LEU 22 13.162 44.413 74.720 167 HD11 LEU 22 HD11 LEU 22 12.803 47.339 71.852 168 HD12 LEU 22 HD12 LEU 22 11.874 45.849 72.013 169 HD13 LEU 22 HD13 LEU 22 13.455 45.822 71.231 170 HD21 LEU 22 HD21 LEU 22 13.375 46.664 75.391 171 HD22 LEU 22 HD22 LEU 22 11.827 46.497 74.563 172 HD23 LEU 22 HD23 LEU 22 12.878 47.867 74.198 173 H ARG 23 H ARG 23 16.280 45.701 74.209 174 HA ARG 23 HA ARG 23 17.003 44.509 76.803 175 HE ARG 23 HE ARG 23 19.691 45.530 79.052 176 HB2 ARG 23 HB2 ARG 23 18.717 45.263 74.611 177 HB3 ARG 23 HB3 ARG 23 19.096 46.225 76.033 178 HG2 ARG 23 HG2 ARG 23 18.753 43.444 76.719 179 HG3 ARG 23 HG3 ARG 23 19.975 43.655 75.463 180 HD2 ARG 23 HD2 ARG 23 21.273 43.933 77.323 181 HD3 ARG 23 HD3 ARG 23 20.773 45.601 77.051 182 HH11 ARG 23 HH11 ARG 23 20.093 42.269 77.901 183 HH12 ARG 23 HH12 ARG 23 19.434 41.544 79.329 184 HH21 ARG 23 HH21 ARG 23 18.821 44.587 80.939 185 HH22 ARG 23 HH22 ARG 23 18.710 42.864 81.056 186 H ALA 24 H ALA 24 17.400 45.972 78.517 187 HA ALA 24 HA ALA 24 15.643 47.985 78.936 188 HB1 ALA 24 HB1 ALA 24 17.001 48.741 80.738 189 HB2 ALA 24 HB2 ALA 24 17.228 46.997 80.608 190 HB3 ALA 24 HB3 ALA 24 18.461 48.096 79.990 191 H GLY 25 H GLY 25 18.597 48.176 77.087 192 HA2 GLY 25 HA2 GLY 25 19.328 50.736 76.928 193 HA3 GLY 25 HA3 GLY 25 19.127 49.770 75.473 194 H SER 26 H SER 26 16.314 49.492 75.557 195 HA SER 26 HA SER 26 15.509 51.783 74.184 196 HG SER 26 HG SER 26 14.183 49.025 73.220 197 HB2 SER 26 HB2 SER 26 14.157 49.382 75.278 198 HB3 SER 26 HB3 SER 26 13.125 50.772 74.945 199 H MET 27 H MET 27 14.897 50.815 77.544 200 HA MET 27 HA MET 27 14.173 51.976 79.362 201 HB2 MET 27 HB2 MET 27 15.166 54.476 78.014 202 HB3 MET 27 HB3 MET 27 15.133 54.099 79.731 203 HG2 MET 27 HG2 MET 27 17.006 52.776 79.621 204 HG3 MET 27 HG3 MET 27 16.788 52.427 77.907 205 HE1 MET 27 HE1 MET 27 18.086 54.556 75.878 206 HE2 MET 27 HE2 MET 27 16.403 54.466 76.397 207 HE3 MET 27 HE3 MET 27 17.276 55.995 76.500 208 H ALA 28 H ALA 28 12.207 51.505 77.473 209 HA ALA 28 HA ALA 28 10.344 53.615 78.121 210 HB1 ALA 28 HB1 ALA 28 11.540 54.271 75.952 211 HB2 ALA 28 HB2 ALA 28 10.630 52.957 75.208 212 HB3 ALA 28 HB3 ALA 28 9.776 54.305 75.961 213 H LEU 29 H LEU 29 8.525 52.649 78.714 214 HA LEU 29 HA LEU 29 8.066 49.877 78.245 215 HG LEU 29 HG LEU 29 5.670 49.152 79.267 216 HB2 LEU 29 HB2 LEU 29 7.298 51.515 80.180 217 HB3 LEU 29 HB3 LEU 29 5.871 51.662 79.156 218 HD11 LEU 29 HD11 LEU 29 7.841 48.479 79.909 219 HD12 LEU 29 HD12 LEU 29 6.792 48.137 81.284 220 HD13 LEU 29 HD13 LEU 29 7.842 49.554 81.307 221 HD21 LEU 29 HD21 LEU 29 4.104 49.689 80.742 222 HD22 LEU 29 HD22 LEU 29 4.978 51.160 81.169 223 HD23 LEU 29 HD23 LEU 29 5.317 49.654 82.023 224 H GLN 30 H GLN 30 6.773 52.860 76.890 225 HA GLN 30 HA GLN 30 5.195 51.262 74.987 226 HB2 GLN 30 HB2 GLN 30 4.829 54.041 76.073 227 HB3 GLN 30 HB3 GLN 30 4.054 53.542 74.575 228 HG2 GLN 30 HG2 GLN 30 2.374 52.890 75.879 229 HG3 GLN 30 HG3 GLN 30 3.392 51.501 76.254 230 HE21 GLN 30 HE21 GLN 30 2.360 51.322 78.275 231 HE22 GLN 30 HE22 GLN 30 2.754 52.384 79.579 232 H GLY 31 H GLY 31 8.131 52.341 75.071 233 HA2 GLY 31 HA2 GLY 31 8.568 54.220 73.099 234 HA3 GLY 31 HA3 GLY 31 9.665 52.894 73.453 235 H ASP 32 H ASP 32 7.329 51.037 72.727 236 HA ASP 32 HA ASP 32 8.111 50.681 69.995 237 HB2 ASP 32 HB2 ASP 32 7.683 48.697 71.238 238 HB3 ASP 32 HB3 ASP 32 6.110 49.286 71.770 239 H VAL 33 H VAL 33 4.938 51.275 71.519 240 HA VAL 33 HA VAL 33 3.680 51.903 69.036 241 HB VAL 33 HB VAL 33 1.764 52.624 70.414 242 HG11 VAL 33 HG11 VAL 33 3.066 49.995 71.085 243 HG12 VAL 33 HG12 VAL 33 1.425 50.412 71.587 244 HG13 VAL 33 HG13 VAL 33 1.828 50.321 69.872 245 HG21 VAL 33 HG21 VAL 33 2.017 53.303 72.514 246 HG22 VAL 33 HG22 VAL 33 2.684 51.734 72.971 247 HG23 VAL 33 HG23 VAL 33 3.751 53.008 72.379 248 H LYS 34 H LYS 34 5.502 53.696 71.338 249 HA LYS 34 HA LYS 34 4.453 56.277 70.823 250 HB2 LYS 34 HB2 LYS 34 5.709 56.007 72.813 251 HB3 LYS 34 HB3 LYS 34 7.070 55.302 71.951 252 HG2 LYS 34 HG2 LYS 34 7.014 57.694 70.763 253 HG3 LYS 34 HG3 LYS 34 6.319 58.134 72.325 254 HD2 LYS 34 HD2 LYS 34 8.493 58.370 72.902 255 HD3 LYS 34 HD3 LYS 34 8.388 56.626 73.151 256 HE2 LYS 34 HE2 LYS 34 8.936 57.188 70.393 257 HE3 LYS 34 HE3 LYS 34 10.103 58.027 71.415 258 HZ1 LYS 34 HZ1 LYS 34 9.465 55.146 71.707 259 HZ2 LYS 34 HZ2 LYS 34 10.740 55.997 72.421 260 HZ3 LYS 34 HZ3 LYS 34 10.737 55.722 70.752 261 H VAL 35 H VAL 35 6.909 54.313 69.281 262 HA VAL 35 HA VAL 35 7.719 56.495 67.531 263 HB VAL 35 HB VAL 35 9.359 54.953 66.622 264 HG11 VAL 35 HG11 VAL 35 9.220 54.846 69.633 265 HG12 VAL 35 HG12 VAL 35 10.655 54.498 68.668 266 HG13 VAL 35 HG13 VAL 35 9.957 56.119 68.661 267 HG21 VAL 35 HG21 VAL 35 7.784 52.953 66.848 268 HG22 VAL 35 HG22 VAL 35 9.498 52.674 67.154 269 HG23 VAL 35 HG23 VAL 35 8.375 52.830 68.505 270 H TRP 36 H TRP 36 5.508 53.889 67.566 271 HA TRP 36 HA TRP 36 5.277 52.961 65.041 272 HD1 TRP 36 HD1 TRP 36 5.177 50.979 67.075 273 HE1 TRP 36 HE1 TRP 36 4.321 48.637 66.438 274 HE3 TRP 36 HE3 TRP 36 0.899 52.321 64.618 275 HZ2 TRP 36 HZ2 TRP 36 2.123 47.507 65.074 276 HZ3 TRP 36 HZ3 TRP 36 -0.525 50.548 63.676 277 HH2 TRP 36 HH2 TRP 36 0.076 48.192 63.900 278 HB2 TRP 36 HB2 TRP 36 3.447 53.389 67.246 279 HB3 TRP 36 HB3 TRP 36 2.629 53.584 65.698 280 H MET 37 H MET 37 3.756 55.991 66.155 281 HA MET 37 HA MET 37 3.165 56.756 63.425 282 HB2 MET 37 HB2 MET 37 2.827 58.634 65.720 283 HB3 MET 37 HB3 MET 37 1.811 58.404 64.305 284 HG2 MET 37 HG2 MET 37 0.479 57.029 65.408 285 HG3 MET 37 HG3 MET 37 1.840 56.015 65.885 286 HE1 MET 37 HE1 MET 37 3.192 58.387 68.748 287 HE2 MET 37 HE2 MET 37 3.135 56.624 68.713 288 HE3 MET 37 HE3 MET 37 3.637 57.518 67.278 289 H GLN 38 H GLN 38 5.156 58.001 66.098 290 HA GLN 38 HA GLN 38 6.247 60.237 65.030 291 HB2 GLN 38 HB2 GLN 38 7.738 60.105 66.714 292 HB3 GLN 38 HB3 GLN 38 6.821 58.684 67.195 293 HG2 GLN 38 HG2 GLN 38 9.101 58.077 67.234 294 HG3 GLN 38 HG3 GLN 38 8.394 57.314 65.810 295 HE21 GLN 38 HE21 GLN 38 9.770 60.497 66.583 296 HE22 GLN 38 HE22 GLN 38 10.835 60.554 65.223 297 H ASN 39 H ASN 39 6.943 56.936 64.099 298 HA ASN 39 HA ASN 39 9.224 57.554 62.498 299 HB2 ASN 39 HB2 ASN 39 8.033 55.228 63.444 300 HB3 ASN 39 HB3 ASN 39 7.784 55.148 61.702 301 HD21 ASN 39 HD21 ASN 39 9.835 54.361 64.136 302 HD22 ASN 39 HD22 ASN 39 11.302 54.195 63.239 303 H LEU 40 H LEU 40 5.823 56.827 61.741 304 HA LEU 40 HA LEU 40 6.159 57.350 58.945 305 HG LEU 40 HG LEU 40 4.050 55.918 61.663 306 HB2 LEU 40 HB2 LEU 40 3.442 57.509 60.021 307 HB3 LEU 40 HB3 LEU 40 4.089 56.519 58.716 308 HD11 LEU 40 HD11 LEU 40 2.164 55.412 59.861 309 HD12 LEU 40 HD12 LEU 40 2.545 54.292 61.169 310 HD13 LEU 40 HD13 LEU 40 3.201 54.018 59.554 311 HD21 LEU 40 HD21 LEU 40 6.157 55.314 59.953 312 HD22 LEU 40 HD22 LEU 40 5.190 53.841 60.011 313 HD23 LEU 40 HD23 LEU 40 5.799 54.554 61.504 314 H GLU 41 H GLU 41 5.694 59.290 61.694 315 HA GLU 41 HA GLU 41 4.127 61.387 60.823 316 HB2 GLU 41 HB2 GLU 41 5.536 60.920 63.064 317 HB3 GLU 41 HB3 GLU 41 6.587 62.114 62.314 318 HG2 GLU 41 HG2 GLU 41 3.745 62.825 62.319 319 HG3 GLU 41 HG3 GLU 41 4.478 62.686 63.917 320 H ASP 42 H ASP 42 7.535 60.756 60.163 321 HA ASP 42 HA ASP 42 7.847 63.206 58.660 322 HB2 ASP 42 HB2 ASP 42 9.590 61.413 59.934 323 HB3 ASP 42 HB3 ASP 42 9.951 61.274 58.216 324 H LEU 43 H LEU 43 8.285 59.767 57.808 325 HA LEU 43 HA LEU 43 8.380 60.066 55.065 326 HG LEU 43 HG LEU 43 8.000 56.339 54.763 327 HB2 LEU 43 HB2 LEU 43 8.905 57.983 56.205 328 HB3 LEU 43 HB3 LEU 43 7.212 57.784 56.652 329 HD11 LEU 43 HD11 LEU 43 5.599 57.723 55.112 330 HD12 LEU 43 HD12 LEU 43 5.863 56.252 54.175 331 HD13 LEU 43 HD13 LEU 43 5.960 57.828 53.389 332 HD21 LEU 43 HD21 LEU 43 8.614 57.191 52.716 333 HD22 LEU 43 HD22 LEU 43 9.346 58.365 53.809 334 HD23 LEU 43 HD23 LEU 43 7.825 58.742 53.001 335 H HIS 44 H HIS 44 5.596 59.972 57.191 336 HA HIS 44 HA HIS 44 3.490 59.453 55.577 337 HD1 HIS 44 HD1 HIS 44 2.410 63.526 57.443 338 HD2 HIS 44 HD2 HIS 44 0.525 60.086 56.072 339 HE1 HIS 44 HE1 HIS 44 0.097 64.249 56.771 340 HB2 HIS 44 HB2 HIS 44 2.958 59.992 57.792 341 HB3 HIS 44 HB3 HIS 44 3.830 61.521 57.730 342 H THR 45 H THR 45 5.643 62.144 55.321 343 HA THR 45 HA THR 45 4.282 64.103 54.042 344 HB THR 45 HB THR 45 6.716 64.174 54.463 345 HG1 THR 45 HG1 THR 45 7.216 65.222 52.401 346 HG21 THR 45 HG21 THR 45 7.567 62.113 53.771 347 HG22 THR 45 HG22 THR 45 8.139 63.225 52.528 348 HG23 THR 45 HG23 THR 45 6.746 62.189 52.212 349 H ARG 46 H ARG 46 4.836 60.904 52.868 350 HA ARG 46 HA ARG 46 3.616 61.649 50.290 351 HE ARG 46 HE ARG 46 6.517 58.089 47.937 352 HB2 ARG 46 HB2 ARG 46 6.031 60.761 50.298 353 HB3 ARG 46 HB3 ARG 46 5.322 59.204 50.704 354 HG2 ARG 46 HG2 ARG 46 4.588 58.855 48.619 355 HG3 ARG 46 HG3 ARG 46 4.082 60.533 48.409 356 HD2 ARG 46 HD2 ARG 46 5.807 60.505 46.929 357 HD3 ARG 46 HD3 ARG 46 6.711 60.913 48.387 358 HH11 ARG 46 HH11 ARG 46 8.277 60.982 47.129 359 HH12 ARG 46 HH12 ARG 46 9.734 60.139 46.721 360 HH21 ARG 46 HH21 ARG 46 8.429 56.967 47.402 361 HH22 ARG 46 HH22 ARG 46 9.820 57.855 46.875 362 H ARG 47 H ARG 47 4.134 58.629 52.115 363 HA ARG 47 HA ARG 47 1.294 58.231 52.436 364 HE ARG 47 HE ARG 47 4.031 55.549 48.127 365 HB2 ARG 47 HB2 ARG 47 1.202 56.118 51.210 366 HB3 ARG 47 HB3 ARG 47 1.628 57.446 50.139 367 HG2 ARG 47 HG2 ARG 47 3.811 56.723 49.892 368 HG3 ARG 47 HG3 ARG 47 3.767 55.769 51.376 369 HD2 ARG 47 HD2 ARG 47 3.275 53.973 50.167 370 HD3 ARG 47 HD3 ARG 47 1.756 54.738 49.700 371 HH11 ARG 47 HH11 ARG 47 1.436 53.255 48.480 372 HH12 ARG 47 HH12 ARG 47 1.419 52.821 46.802 373 HH21 ARG 47 HH21 ARG 47 4.018 54.986 45.917 374 HH22 ARG 47 HH22 ARG 47 2.888 53.804 45.346 375 HA PRO 48 HA PRO 48 2.900 56.229 56.030 376 HB2 PRO 48 HB2 PRO 48 0.583 55.105 56.890 377 HB3 PRO 48 HB3 PRO 48 0.930 56.831 57.048 378 HG2 PRO 48 HG2 PRO 48 -0.718 55.410 54.991 379 HG3 PRO 48 HG3 PRO 48 -1.059 56.926 55.847 380 HD2 PRO 48 HD2 PRO 48 -0.103 56.866 53.314 381 HD3 PRO 48 HD3 PRO 48 0.301 58.164 54.458 382 H ASP 49 H ASP 49 0.908 54.451 53.713 383 HA ASP 49 HA ASP 49 1.357 51.857 54.609 384 HB2 ASP 49 HB2 ASP 49 -0.274 52.120 52.932 385 HB3 ASP 49 HB3 ASP 49 0.829 52.995 51.873 386 H GLU 50 H GLU 50 3.544 54.077 53.221 387 HA GLU 50 HA GLU 50 5.378 52.084 52.209 388 HB2 GLU 50 HB2 GLU 50 5.204 54.266 51.106 389 HB3 GLU 50 HB3 GLU 50 5.714 55.064 52.587 390 HG2 GLU 50 HG2 GLU 50 7.898 54.255 52.412 391 HG3 GLU 50 HG3 GLU 50 7.441 53.024 51.236 392 H PHE 51 H PHE 51 5.473 54.519 54.813 393 HA PHE 51 HA PHE 51 7.839 53.377 55.969 394 HD1 PHE 51 HD1 PHE 51 9.183 54.866 55.374 395 HD2 PHE 51 HD2 PHE 51 7.766 56.247 59.143 396 HE1 PHE 51 HE1 PHE 51 11.471 55.531 55.987 397 HE2 PHE 51 HE2 PHE 51 10.052 56.914 59.761 398 HZ PHE 51 HZ PHE 51 11.907 56.558 58.183 399 HB2 PHE 51 HB2 PHE 51 6.546 55.832 56.138 400 HB3 PHE 51 HB3 PHE 51 6.319 55.124 57.735 401 H THR 52 H THR 52 4.510 52.731 56.169 402 HA THR 52 HA THR 52 4.084 51.926 58.769 403 HB THR 52 HB THR 52 2.554 50.135 57.712 404 HG1 THR 52 HG1 THR 52 2.288 50.256 55.521 405 HG21 THR 52 HG21 THR 52 1.356 52.354 56.535 406 HG22 THR 52 HG22 THR 52 2.358 53.023 57.821 407 HG23 THR 52 HG23 THR 52 1.144 51.799 58.196 408 H ALA 53 H ALA 53 6.195 50.552 56.451 409 HA ALA 53 HA ALA 53 6.278 47.895 57.470 410 HB1 ALA 53 HB1 ALA 53 7.631 47.502 55.739 411 HB2 ALA 53 HB2 ALA 53 7.274 49.158 55.244 412 HB3 ALA 53 HB3 ALA 53 8.726 48.811 56.184 413 H ARG 54 H ARG 54 7.694 50.885 58.441 414 HA ARG 54 HA ARG 54 9.958 49.926 59.813 415 HE ARG 54 HE ARG 54 13.205 52.502 60.300 416 HB2 ARG 54 HB2 ARG 54 8.925 52.399 59.272 417 HB3 ARG 54 HB3 ARG 54 8.622 52.262 60.999 418 HG2 ARG 54 HG2 ARG 54 10.693 53.149 61.110 419 HG3 ARG 54 HG3 ARG 54 11.165 51.456 60.957 420 HD2 ARG 54 HD2 ARG 54 11.193 51.860 58.443 421 HD3 ARG 54 HD3 ARG 54 11.105 53.578 58.831 422 HH11 ARG 54 HH11 ARG 54 12.352 53.009 56.964 423 HH12 ARG 54 HH12 ARG 54 13.994 53.165 56.432 424 HH21 ARG 54 HH21 ARG 54 15.371 52.704 59.613 425 HH22 ARG 54 HH22 ARG 54 15.710 52.989 57.939 426 H LEU 55 H LEU 55 6.948 51.136 61.296 427 HA LEU 55 HA LEU 55 7.463 49.893 63.787 428 HG LEU 55 HG LEU 55 3.670 51.666 62.938 429 HB2 LEU 55 HB2 LEU 55 5.324 50.660 64.453 430 HB3 LEU 55 HB3 LEU 55 6.021 51.899 63.410 431 HD11 LEU 55 HD11 LEU 55 5.125 52.170 61.060 432 HD12 LEU 55 HD12 LEU 55 3.768 51.170 60.543 433 HD13 LEU 55 HD13 LEU 55 5.363 50.448 60.760 434 HD21 LEU 55 HD21 LEU 55 3.976 49.036 63.584 435 HD22 LEU 55 HD22 LEU 55 3.827 48.960 61.828 436 HD23 LEU 55 HD23 LEU 55 2.559 49.723 62.788 437 H GLN 56 H GLN 56 6.146 48.743 60.849 438 HA GLN 56 HA GLN 56 4.433 46.724 61.804 439 HB2 GLN 56 HB2 GLN 56 4.287 47.338 59.507 440 HB3 GLN 56 HB3 GLN 56 5.993 47.009 59.240 441 HG2 GLN 56 HG2 GLN 56 5.506 44.949 58.617 442 HG3 GLN 56 HG3 GLN 56 4.797 44.630 60.199 443 HE21 GLN 56 HE21 GLN 56 4.218 44.907 56.910 444 HE22 GLN 56 HE22 GLN 56 2.491 44.910 56.950 445 H GLN 57 H GLN 57 7.899 46.877 61.388 446 HA GLN 57 HA GLN 57 8.388 44.086 61.629 447 HB2 GLN 57 HB2 GLN 57 10.642 44.615 61.579 448 HB3 GLN 57 HB3 GLN 57 9.931 45.984 60.734 449 HG2 GLN 57 HG2 GLN 57 9.942 47.178 62.974 450 HG3 GLN 57 HG3 GLN 57 10.980 45.871 63.542 451 HE21 GLN 57 HE21 GLN 57 13.092 46.013 63.183 452 HE22 GLN 57 HE22 GLN 57 13.859 47.174 62.159 453 H SER 58 H SER 58 8.079 46.726 63.911 454 HA SER 58 HA SER 58 9.133 45.397 66.170 455 HG SER 58 HG SER 58 8.800 47.133 68.197 456 HB2 SER 58 HB2 SER 58 8.052 47.937 65.610 457 HB3 SER 58 HB3 SER 58 7.057 47.263 66.900 458 H THR 59 H THR 59 5.733 46.041 65.300 459 HA THR 59 HA THR 59 4.590 44.453 67.297 460 HB THR 59 HB THR 59 3.367 46.137 65.894 461 HG1 THR 59 HG1 THR 59 1.481 44.551 65.636 462 HG21 THR 59 HG21 THR 59 4.299 45.186 63.720 463 HG22 THR 59 HG22 THR 59 2.586 45.605 63.730 464 HG23 THR 59 HG23 THR 59 3.082 43.919 63.878 465 H ASP 60 H ASP 60 6.059 43.595 64.289 466 HA ASP 60 HA ASP 60 4.894 41.228 63.581 467 HB2 ASP 60 HB2 ASP 60 7.326 42.534 63.027 468 HB3 ASP 60 HB3 ASP 60 7.758 40.897 63.513 469 H ALA 61 H ALA 61 7.580 41.552 65.907 470 HA ALA 61 HA ALA 61 7.796 38.920 66.691 471 HB1 ALA 61 HB1 ALA 61 9.325 39.756 68.066 472 HB2 ALA 61 HB2 ALA 61 8.831 41.368 67.543 473 HB3 ALA 61 HB3 ALA 61 8.101 40.643 68.976 474 H LEU 62 H LEU 62 5.676 41.423 68.063 475 HA LEU 62 HA LEU 62 4.519 39.834 70.064 476 HG LEU 62 HG LEU 62 2.138 40.713 70.722 477 HB2 LEU 62 HB2 LEU 62 4.277 42.199 70.157 478 HB3 LEU 62 HB3 LEU 62 3.502 42.242 68.575 479 HD11 LEU 62 HD11 LEU 62 1.114 43.264 70.990 480 HD12 LEU 62 HD12 LEU 62 2.861 43.511 70.976 481 HD13 LEU 62 HD13 LEU 62 2.134 42.417 72.153 482 HD21 LEU 62 HD21 LEU 62 0.185 41.391 69.580 483 HD22 LEU 62 HD22 LEU 62 1.354 40.966 68.330 484 HD23 LEU 62 HD23 LEU 62 1.044 42.661 68.707 485 H TYR 63 H TYR 63 3.638 40.348 66.687 486 HA TYR 63 HA TYR 63 1.153 39.092 66.673 487 HD1 TYR 63 HD1 TYR 63 0.190 37.963 63.689 488 HD2 TYR 63 HD2 TYR 63 4.440 38.116 63.827 489 HE1 TYR 63 HE1 TYR 63 0.303 36.082 62.109 490 HE2 TYR 63 HE2 TYR 63 4.564 36.235 62.245 491 HH TYR 63 HH TYR 63 2.666 34.179 61.680 492 HB2 TYR 63 HB2 TYR 63 1.360 39.913 64.596 493 HB3 TYR 63 HB3 TYR 63 3.117 39.934 64.703 494 H SER 64 H SER 64 4.259 37.653 65.659 495 HA SER 64 HA SER 64 3.284 35.019 65.511 496 HG SER 64 HG SER 64 6.156 33.838 64.507 497 HB2 SER 64 HB2 SER 64 5.690 36.313 64.932 498 HB3 SER 64 HB3 SER 64 6.111 35.135 66.175 499 H HIS 65 H HIS 65 4.874 36.805 68.112 500 HA HIS 65 HA HIS 65 5.291 34.713 69.902 501 HD1 HIS 65 HD1 HIS 65 5.299 38.347 72.912 502 HD2 HIS 65 HD2 HIS 65 5.640 34.259 72.251 503 HE1 HIS 65 HE1 HIS 65 5.633 37.323 75.184 504 HB2 HIS 65 HB2 HIS 65 6.196 36.983 70.215 505 HB3 HIS 65 HB3 HIS 65 4.573 37.583 70.542 506 H LEU 66 H LEU 66 2.455 36.822 69.530 507 HA LEU 66 HA LEU 66 0.962 35.509 71.582 508 HG LEU 66 HG LEU 66 -1.472 36.151 71.582 509 HB2 LEU 66 HB2 LEU 66 0.707 37.900 70.630 510 HB3 LEU 66 HB3 LEU 66 -0.262 37.126 69.379 511 HD11 LEU 66 HD11 LEU 66 -1.364 37.465 73.410 512 HD12 LEU 66 HD12 LEU 66 -1.136 38.940 72.474 513 HD13 LEU 66 HD13 LEU 66 0.228 37.862 72.766 514 HD21 LEU 66 HD21 LEU 66 -1.985 38.119 69.585 515 HD22 LEU 66 HD22 LEU 66 -2.644 38.680 71.121 516 HD23 LEU 66 HD23 LEU 66 -3.132 37.114 70.472 517 H GLU 67 H GLU 67 0.554 35.622 68.037 518 HA GLU 67 HA GLU 67 -1.453 33.727 67.823 519 HB2 GLU 67 HB2 GLU 67 -0.348 35.255 66.025 520 HB3 GLU 67 HB3 GLU 67 0.729 33.889 65.771 521 HG2 GLU 67 HG2 GLU 67 -2.146 33.263 65.791 522 HG3 GLU 67 HG3 GLU 67 -1.578 34.253 64.447 523 H ALA 68 H ALA 68 1.984 33.295 68.269 524 HA ALA 68 HA ALA 68 1.889 30.449 67.757 525 HB1 ALA 68 HB1 ALA 68 4.234 30.446 68.185 526 HB2 ALA 68 HB2 ALA 68 3.872 31.877 67.219 527 HB3 ALA 68 HB3 ALA 68 4.155 32.032 68.953 528 H GLN 69 H GLN 69 2.803 32.413 70.597 529 HA GLN 69 HA GLN 69 2.699 30.246 72.407 530 HB2 GLN 69 HB2 GLN 69 3.873 32.522 72.667 531 HB3 GLN 69 HB3 GLN 69 2.308 33.123 73.197 532 HG2 GLN 69 HG2 GLN 69 3.445 32.603 75.164 533 HG3 GLN 69 HG3 GLN 69 2.344 31.249 74.913 534 HE21 GLN 69 HE21 GLN 69 3.228 29.379 75.368 535 HE22 GLN 69 HE22 GLN 69 4.881 28.940 75.124 536 H TRP 70 H TRP 70 0.449 32.976 71.948 537 HA TRP 70 HA TRP 70 -1.511 32.123 73.732 538 HD1 TRP 70 HD1 TRP 70 -4.788 32.862 72.012 539 HE1 TRP 70 HE1 TRP 70 -6.309 33.964 73.774 540 HE3 TRP 70 HE3 TRP 70 -1.264 35.553 74.557 541 HZ2 TRP 70 HZ2 TRP 70 -6.047 35.739 75.952 542 HZ3 TRP 70 HZ3 TRP 70 -1.982 36.928 76.467 543 HH2 TRP 70 HH2 TRP 70 -4.325 37.018 77.148 544 HB2 TRP 70 HB2 TRP 70 -1.257 34.348 72.364 545 HB3 TRP 70 HB3 TRP 70 -2.274 33.518 71.191 546 H ALA 71 H ALA 71 -0.860 31.148 70.438 547 HA ALA 71 HA ALA 71 -3.208 29.969 69.658 548 HB1 ALA 71 HB1 ALA 71 -1.806 29.639 67.953 549 HB2 ALA 71 HB2 ALA 71 -0.392 29.637 69.007 550 HB3 ALA 71 HB3 ALA 71 -1.329 28.159 68.784 551 H LYS 72 H LYS 72 -0.801 28.716 71.904 552 HA LYS 72 HA LYS 72 -1.524 26.100 72.184 553 HB2 LYS 72 HB2 LYS 72 0.085 27.820 73.579 554 HB3 LYS 72 HB3 LYS 72 -1.162 27.463 74.766 555 HG2 LYS 72 HG2 LYS 72 0.101 25.694 75.266 556 HG3 LYS 72 HG3 LYS 72 -0.590 24.978 73.808 557 HD2 LYS 72 HD2 LYS 72 1.910 26.649 73.746 558 HD3 LYS 72 HD3 LYS 72 1.946 24.909 74.042 559 HE2 LYS 72 HE2 LYS 72 0.848 24.508 71.909 560 HE3 LYS 72 HE3 LYS 72 0.737 26.243 71.621 561 HZ1 LYS 72 HZ1 LYS 72 2.779 26.245 70.799 562 HZ2 LYS 72 HZ2 LYS 72 2.815 24.558 70.923 563 HZ3 LYS 72 HZ3 LYS 72 3.411 25.512 72.186 564 H GLN 73 H GLN 73 -3.420 28.861 72.933 565 HA GLN 73 HA GLN 73 -5.135 27.800 74.888 566 HB2 GLN 73 HB2 GLN 73 -5.391 30.000 72.866 567 HB3 GLN 73 HB3 GLN 73 -6.779 29.528 73.837 568 HG2 GLN 73 HG2 GLN 73 -4.181 30.165 75.159 569 HG3 GLN 73 HG3 GLN 73 -5.246 31.463 74.622 570 HE21 GLN 73 HE21 GLN 73 -4.375 30.128 77.292 571 HE22 GLN 73 HE22 GLN 73 -5.863 30.023 78.163 572 H HIS 74 H HIS 74 -5.720 28.158 71.385 573 HA HIS 74 HA HIS 74 -7.380 25.734 71.507 574 HD1 HIS 74 HD1 HIS 74 -10.442 25.542 70.326 575 HD2 HIS 74 HD2 HIS 74 -9.431 28.460 73.105 576 HE1 HIS 74 HE1 HIS 74 -12.236 25.445 72.085 577 HB2 HIS 74 HB2 HIS 74 -8.128 28.444 70.607 578 HB3 HIS 74 HB3 HIS 74 -8.601 27.138 69.524 579 H GLY 75 H GLY 75 -5.807 28.029 69.274 580 HA2 GLY 75 HA2 GLY 75 -4.067 27.295 67.781 581 HA3 GLY 75 HA3 GLY 75 -4.819 25.707 67.755 582 H THR 76 H THR 76 -7.515 26.943 67.456 583 HA THR 76 HA THR 76 -7.401 27.236 64.561 584 HB THR 76 HB THR 76 -9.335 26.139 64.598 585 HG1 THR 76 HG1 THR 76 -10.227 28.298 66.227 586 HG21 THR 76 HG21 THR 76 -10.247 25.251 66.670 587 HG22 THR 76 HG22 THR 76 -9.316 26.420 67.606 588 HG23 THR 76 HG23 THR 76 -8.486 25.156 66.697 589 HA PRO 77 HA PRO 77 -9.619 31.310 66.037 590 HB2 PRO 77 HB2 PRO 77 -9.045 32.082 68.575 591 HB3 PRO 77 HB3 PRO 77 -10.433 31.065 68.171 592 HG2 PRO 77 HG2 PRO 77 -7.752 30.272 69.242 593 HG3 PRO 77 HG3 PRO 77 -9.361 29.694 69.713 594 HD2 PRO 77 HD2 PRO 77 -7.732 28.291 68.067 595 HD3 PRO 77 HD3 PRO 77 -9.502 28.246 67.925 596 HA PRO 78 HA PRO 78 -5.167 32.976 67.191 597 HB2 PRO 78 HB2 PRO 78 -3.204 31.144 66.788 598 HB3 PRO 78 HB3 PRO 78 -4.000 31.371 68.349 599 HG2 PRO 78 HG2 PRO 78 -4.506 29.300 66.248 600 HG3 PRO 78 HG3 PRO 78 -4.413 29.108 68.009 601 HD2 PRO 78 HD2 PRO 78 -6.769 29.238 66.680 602 HD3 PRO 78 HD3 PRO 78 -6.567 29.860 68.331 603 H THR 79 H THR 79 -5.626 34.092 65.264 604 HA THR 79 HA THR 79 -3.926 33.347 63.037 605 HB THR 79 HB THR 79 -6.853 33.856 62.503 606 HG1 THR 79 HG1 THR 79 -7.183 31.766 62.676 607 HG21 THR 79 HG21 THR 79 -4.508 33.046 60.798 608 HG22 THR 79 HG22 THR 79 -5.553 34.454 60.617 609 HG23 THR 79 HG23 THR 79 -6.179 32.841 60.273 610 H ALA 80 H ALA 80 -3.693 35.078 61.461 611 HA ALA 80 HA ALA 80 -3.149 37.537 62.481 612 HB1 ALA 80 HB1 ALA 80 -2.475 37.934 60.404 613 HB2 ALA 80 HB2 ALA 80 -3.195 36.395 59.928 614 HB3 ALA 80 HB3 ALA 80 -4.132 37.884 59.803 615 H SER 81 H SER 81 -6.262 36.250 61.786 616 HA SER 81 HA SER 81 -7.627 38.769 61.601 617 HG SER 81 HG SER 81 -8.397 37.430 59.700 618 HB2 SER 81 HB2 SER 81 -8.759 36.011 62.133 619 HB3 SER 81 HB3 SER 81 -9.673 37.436 61.637 620 H ASP 82 H ASP 82 -7.029 36.380 64.124 621 HA ASP 82 HA ASP 82 -8.560 37.919 66.063 622 HB2 ASP 82 HB2 ASP 82 -7.027 35.325 66.328 623 HB3 ASP 82 HB3 ASP 82 -7.956 36.075 67.624 624 H VAL 83 H VAL 83 -5.210 36.837 65.578 625 HA VAL 83 HA VAL 83 -4.067 38.020 67.822 626 HB VAL 83 HB VAL 83 -2.729 37.771 65.127 627 HG11 VAL 83 HG11 VAL 83 -0.816 38.283 66.152 628 HG12 VAL 83 HG12 VAL 83 -1.808 38.851 67.496 629 HG13 VAL 83 HG13 VAL 83 -1.163 37.209 67.507 630 HG21 VAL 83 HG21 VAL 83 -2.865 35.559 65.276 631 HG22 VAL 83 HG22 VAL 83 -2.110 35.605 66.870 632 HG23 VAL 83 HG23 VAL 83 -3.863 35.724 66.719 633 H VAL 84 H VAL 84 -5.234 39.451 64.905 634 HA VAL 84 HA VAL 84 -3.727 41.851 64.964 635 HB VAL 84 HB VAL 84 -4.862 41.205 62.934 636 HG11 VAL 84 HG11 VAL 84 -6.888 40.302 62.977 637 HG12 VAL 84 HG12 VAL 84 -7.040 40.692 64.690 638 HG13 VAL 84 HG13 VAL 84 -7.567 41.851 63.470 639 HG21 VAL 84 HG21 VAL 84 -4.769 43.725 63.914 640 HG22 VAL 84 HG22 VAL 84 -5.313 43.314 62.287 641 HG23 VAL 84 HG23 VAL 84 -6.493 43.568 63.574 642 H GLY 85 H GLY 85 -6.276 40.697 66.905 643 HA2 GLY 85 HA2 GLY 85 -6.493 43.343 68.166 644 HA3 GLY 85 HA3 GLY 85 -7.965 42.500 67.707 645 H MET 86 H MET 86 -5.933 40.097 68.499 646 HA MET 86 HA MET 86 -7.238 39.545 70.958 647 HB2 MET 86 HB2 MET 86 -6.276 37.863 69.306 648 HB3 MET 86 HB3 MET 86 -4.697 38.246 69.981 649 HG2 MET 86 HG2 MET 86 -5.030 36.929 71.730 650 HG3 MET 86 HG3 MET 86 -6.607 37.643 72.056 651 HE1 MET 86 HE1 MET 86 -4.793 35.766 69.411 652 HE2 MET 86 HE2 MET 86 -4.964 34.225 70.251 653 HE3 MET 86 HE3 MET 86 -5.921 34.551 68.806 654 HA PRO 87 HA PRO 87 -2.900 40.704 72.822 655 HB2 PRO 87 HB2 PRO 87 -1.370 42.346 71.295 656 HB3 PRO 87 HB3 PRO 87 -1.264 40.584 71.214 657 HG2 PRO 87 HG2 PRO 87 -2.715 42.480 69.408 658 HG3 PRO 87 HG3 PRO 87 -1.731 41.066 68.988 659 HD2 PRO 87 HD2 PRO 87 -4.438 40.996 69.034 660 HD3 PRO 87 HD3 PRO 87 -3.440 39.586 69.441 661 H GLN 88 H GLN 88 -1.877 42.919 73.478 662 HA GLN 88 HA GLN 88 -4.088 44.716 73.967 663 HB2 GLN 88 HB2 GLN 88 -2.543 45.878 75.465 664 HB3 GLN 88 HB3 GLN 88 -2.548 44.149 75.785 665 HG2 GLN 88 HG2 GLN 88 -0.473 43.929 74.476 666 HG3 GLN 88 HG3 GLN 88 -0.459 45.677 74.249 667 HE21 GLN 88 HE21 GLN 88 1.167 46.415 75.424 668 HE22 GLN 88 HE22 GLN 88 1.457 46.051 77.087 669 H TRP 89 H TRP 89 -1.042 44.742 72.198 670 HA TRP 89 HA TRP 89 -0.668 47.346 71.560 671 HD1 TRP 89 HD1 TRP 89 -0.775 43.140 69.505 672 HE1 TRP 89 HE1 TRP 89 -1.773 42.804 67.156 673 HE3 TRP 89 HE3 TRP 89 -0.636 47.980 67.865 674 HZ2 TRP 89 HZ2 TRP 89 -2.415 44.382 64.906 675 HZ3 TRP 89 HZ3 TRP 89 -1.461 48.483 65.602 676 HH2 TRP 89 HH2 TRP 89 -2.331 46.720 64.155 677 HB2 TRP 89 HB2 TRP 89 0.613 46.634 69.789 678 HB3 TRP 89 HB3 TRP 89 0.465 45.121 70.679 679 H GLN 90 H GLN 90 -3.003 45.170 70.008 680 HA GLN 90 HA GLN 90 -3.972 46.748 68.000 681 HB2 GLN 90 HB2 GLN 90 -6.081 45.550 68.201 682 HB3 GLN 90 HB3 GLN 90 -4.730 44.448 68.433 683 HG2 GLN 90 HG2 GLN 90 -6.015 43.765 70.157 684 HG3 GLN 90 HG3 GLN 90 -5.164 45.073 70.976 685 HE21 GLN 90 HE21 GLN 90 -6.921 45.200 72.438 686 HE22 GLN 90 HE22 GLN 90 -8.385 46.005 71.996 687 H GLU 91 H GLU 91 -4.841 46.886 71.429 688 HA GLU 91 HA GLU 91 -6.693 49.065 71.000 689 HB2 GLU 91 HB2 GLU 91 -6.394 47.126 72.959 690 HB3 GLU 91 HB3 GLU 91 -5.873 48.602 73.760 691 HG2 GLU 91 HG2 GLU 91 -7.939 49.556 73.666 692 HG3 GLU 91 HG3 GLU 91 -8.401 48.676 72.210 693 H TYR 92 H TYR 92 -3.495 48.619 72.461 694 HA TYR 92 HA TYR 92 -3.095 51.186 73.440 695 HD1 TYR 92 HD1 TYR 92 -0.961 51.664 75.093 696 HD2 TYR 92 HD2 TYR 92 -1.688 47.544 74.324 697 HE1 TYR 92 HE1 TYR 92 -0.835 51.198 77.505 698 HE2 TYR 92 HE2 TYR 92 -1.566 47.066 76.733 699 HH TYR 92 HH TYR 92 -1.390 49.620 79.106 700 HB2 TYR 92 HB2 TYR 92 -1.291 48.993 72.530 701 HB3 TYR 92 HB3 TYR 92 -0.588 50.583 72.803 702 H THR 93 H THR 93 -1.817 49.920 70.358 703 HA THR 93 HA THR 93 -0.868 52.258 69.286 704 HB THR 93 HB THR 93 -0.644 49.972 68.268 705 HG1 THR 93 HG1 THR 93 -1.226 52.321 66.859 706 HG21 THR 93 HG21 THR 93 -2.593 48.910 67.908 707 HG22 THR 93 HG22 THR 93 -2.654 49.854 66.421 708 HG23 THR 93 HG23 THR 93 -3.514 50.413 67.856 709 H ALA 94 H ALA 94 -4.148 51.348 69.787 710 HA ALA 94 HA ALA 94 -5.229 53.263 67.904 711 HB1 ALA 94 HB1 ALA 94 -6.216 50.998 69.316 712 HB2 ALA 94 HB2 ALA 94 -7.228 52.390 69.707 713 HB3 ALA 94 HB3 ALA 94 -6.988 51.918 68.024 714 H MET 95 H MET 95 -4.918 52.938 71.421 715 HA MET 95 HA MET 95 -6.346 55.167 72.227 716 HB2 MET 95 HB2 MET 95 -4.882 53.285 73.509 717 HB3 MET 95 HB3 MET 95 -3.817 54.674 73.675 718 HG2 MET 95 HG2 MET 95 -6.074 55.838 74.427 719 HG3 MET 95 HG3 MET 95 -6.492 54.178 74.843 720 HE1 MET 95 HE1 MET 95 -6.790 56.079 76.728 721 HE2 MET 95 HE2 MET 95 -5.883 55.663 78.183 722 HE3 MET 95 HE3 MET 95 -5.405 57.057 77.215 723 H LEU 96 H LEU 96 -3.305 54.987 70.606 724 HA LEU 96 HA LEU 96 -2.294 57.536 71.338 725 HG LEU 96 HG LEU 96 -1.498 54.334 70.197 726 HB2 LEU 96 HB2 LEU 96 -1.681 56.220 68.723 727 HB3 LEU 96 HB3 LEU 96 -0.629 57.187 69.755 728 HD11 LEU 96 HD11 LEU 96 0.566 55.357 68.694 729 HD12 LEU 96 HD12 LEU 96 0.473 53.725 69.357 730 HD13 LEU 96 HD13 LEU 96 1.335 54.987 70.237 731 HD21 LEU 96 HD21 LEU 96 -0.451 56.362 72.054 732 HD22 LEU 96 HD22 LEU 96 0.378 54.805 72.083 733 HD23 LEU 96 HD23 LEU 96 -1.359 54.883 72.376 734 H ARG 97 H ARG 97 -3.748 56.437 68.267 735 HA ARG 97 HA ARG 97 -4.083 59.095 67.291 736 HE ARG 97 HE ARG 97 -4.548 55.106 63.504 737 HB2 ARG 97 HB2 ARG 97 -5.488 57.951 65.527 738 HB3 ARG 97 HB3 ARG 97 -3.831 57.380 65.667 739 HG2 ARG 97 HG2 ARG 97 -5.292 55.754 67.391 740 HG3 ARG 97 HG3 ARG 97 -6.303 55.934 65.955 741 HD2 ARG 97 HD2 ARG 97 -3.434 55.425 65.480 742 HD3 ARG 97 HD3 ARG 97 -4.354 54.096 66.186 743 HH11 ARG 97 HH11 ARG 97 -6.206 53.403 66.046 744 HH12 ARG 97 HH12 ARG 97 -7.285 52.580 64.969 745 HH21 ARG 97 HH21 ARG 97 -5.962 54.029 62.075 746 HH22 ARG 97 HH22 ARG 97 -7.144 52.935 62.710 747 H GLU 98 H GLU 98 -6.010 56.929 69.194 748 HA GLU 98 HA GLU 98 -8.486 58.339 68.762 749 HB2 GLU 98 HB2 GLU 98 -8.546 55.961 69.251 750 HB3 GLU 98 HB3 GLU 98 -7.710 56.223 70.775 751 HG2 GLU 98 HG2 GLU 98 -9.582 57.334 71.713 752 HG3 GLU 98 HG3 GLU 98 -10.394 57.416 70.151 753 H ARG 99 H ARG 99 -6.324 57.904 71.565 754 HA ARG 99 HA ARG 99 -7.625 60.078 72.971 755 HE ARG 99 HE ARG 99 -7.338 59.715 77.689 756 HB2 ARG 99 HB2 ARG 99 -6.637 57.872 73.965 757 HB3 ARG 99 HB3 ARG 99 -5.110 58.742 73.906 758 HG2 ARG 99 HG2 ARG 99 -5.823 59.182 76.045 759 HG3 ARG 99 HG3 ARG 99 -6.421 60.595 75.171 760 HD2 ARG 99 HD2 ARG 99 -8.621 59.823 75.189 761 HD3 ARG 99 HD3 ARG 99 -8.134 58.162 75.524 762 HH11 ARG 99 HH11 ARG 99 -10.292 58.733 76.130 763 HH12 ARG 99 HH12 ARG 99 -11.234 58.799 77.582 764 HH21 ARG 99 HH21 ARG 99 -8.567 59.805 79.608 765 HH22 ARG 99 HH22 ARG 99 -10.252 59.409 79.560 766 H PHE 100 H PHE 100 -4.378 59.384 71.697 767 HA PHE 100 HA PHE 100 -2.586 60.744 71.292 768 HD1 PHE 100 HD1 PHE 100 -6.391 61.070 69.817 769 HD2 PHE 100 HD2 PHE 100 -4.297 64.632 70.837 770 HE1 PHE 100 HE1 PHE 100 -8.531 62.270 70.006 771 HE2 PHE 100 HE2 PHE 100 -6.434 65.838 71.029 772 HZ PHE 100 HZ PHE 100 -8.555 64.656 70.614 773 HB2 PHE 100 HB2 PHE 100 -3.129 62.758 69.955 774 HB3 PHE 100 HB3 PHE 100 -3.983 61.325 69.391 775 H ALA 101 H ALA 101 -3.665 60.903 73.972 776 HA ALA 101 HA ALA 101 -4.114 63.220 75.197 777 HB1 ALA 101 HB1 ALA 101 -1.793 61.771 76.332 778 HB2 ALA 101 HB2 ALA 101 -3.285 62.309 77.104 779 HB3 ALA 101 HB3 ALA 101 -3.284 60.857 76.100 780 H GLY 102 H GLY 102 -1.004 62.331 73.768 781 HA2 GLY 102 HA2 GLY 102 -0.294 65.146 73.618 782 HA3 GLY 102 HA3 GLY 102 0.761 64.152 74.612 783 H LEU 103 H LEU 103 1.303 61.964 73.375 784 HA LEU 103 HA LEU 103 2.641 61.069 71.764 785 HG LEU 103 HG LEU 103 -0.648 61.184 71.149 786 HB2 LEU 103 HB2 LEU 103 0.796 62.617 69.952 787 HB3 LEU 103 HB3 LEU 103 1.841 61.285 69.466 788 HD11 LEU 103 HD11 LEU 103 -0.140 59.309 68.938 789 HD12 LEU 103 HD12 LEU 103 -0.359 60.997 68.479 790 HD13 LEU 103 HD13 LEU 103 -1.615 60.163 69.393 791 HD21 LEU 103 HD21 LEU 103 0.423 59.626 72.368 792 HD22 LEU 103 HD22 LEU 103 1.690 59.400 71.161 793 HD23 LEU 103 HD23 LEU 103 0.130 58.600 70.964 794 H ASP 104 H ASP 104 3.487 63.587 72.900 795 HA ASP 104 HA ASP 104 4.805 64.915 70.645 796 HB2 ASP 104 HB2 ASP 104 4.786 65.758 73.548 797 HB3 ASP 104 HB3 ASP 104 5.293 66.721 72.164 798 H THR 105 H THR 105 5.465 63.096 73.574 799 HA THR 105 HA THR 105 8.186 63.463 73.853 800 HB THR 105 HB THR 105 7.006 62.199 75.510 801 HG1 THR 105 HG1 THR 105 8.834 60.510 74.113 802 HG21 THR 105 HG21 THR 105 6.665 59.866 73.669 803 HG22 THR 105 HG22 THR 105 5.467 61.161 73.676 804 HG23 THR 105 HG23 THR 105 5.798 60.256 75.154 805 H ILE 106 H ILE 106 9.558 63.459 72.172 806 HA ILE 106 HA ILE 106 10.732 62.771 70.344 807 HB ILE 106 HB ILE 106 10.072 60.024 71.414 808 HG12 ILE 106 HG12 ILE 106 12.752 60.995 71.924 809 HG13 ILE 106 HG13 ILE 106 11.551 62.090 72.598 810 HG21 ILE 106 HG21 ILE 106 11.156 59.242 69.642 811 HG22 ILE 106 HG22 ILE 106 11.486 60.880 69.080 812 HG23 ILE 106 HG23 ILE 106 12.603 60.087 70.191 813 HD11 ILE 106 HD11 ILE 106 12.512 59.996 73.923 814 HD12 ILE 106 HD12 ILE 106 10.873 60.603 74.154 815 HD13 ILE 106 HD13 ILE 106 11.159 59.210 73.110 Start of MODEL 20 1 H LYS 1 H LYS 1 15.090 76.768 83.414 2 HA LYS 1 HA LYS 1 14.099 78.180 85.789 3 HB2 LYS 1 HB2 LYS 1 14.630 79.514 83.470 4 HB3 LYS 1 HB3 LYS 1 12.945 79.072 83.229 5 HG2 LYS 1 HG2 LYS 1 13.357 80.113 85.882 6 HG3 LYS 1 HG3 LYS 1 13.936 81.246 84.659 7 HD2 LYS 1 HD2 LYS 1 11.839 81.460 83.684 8 HD3 LYS 1 HD3 LYS 1 11.259 79.938 84.363 9 HE2 LYS 1 HE2 LYS 1 11.791 81.335 86.620 10 HE3 LYS 1 HE3 LYS 1 11.323 82.639 85.532 11 HZ1 LYS 1 HZ1 LYS 1 9.280 82.065 86.253 12 HZ2 LYS 1 HZ2 LYS 1 9.719 80.478 86.637 13 HZ3 LYS 1 HZ3 LYS 1 9.392 80.901 85.032 14 H GLN 2 H GLN 2 11.585 78.406 85.552 15 HA GLN 2 HA GLN 2 10.377 76.015 85.862 16 HB2 GLN 2 HB2 GLN 2 9.498 78.604 85.751 17 HB3 GLN 2 HB3 GLN 2 8.669 77.887 84.375 18 HG2 GLN 2 HG2 GLN 2 8.606 76.504 87.014 19 HG3 GLN 2 HG3 GLN 2 7.559 77.893 86.727 20 HE21 GLN 2 HE21 GLN 2 8.441 74.713 85.499 21 HE22 GLN 2 HE22 GLN 2 6.911 74.367 84.774 22 H GLN 3 H GLN 3 10.827 77.687 82.773 23 HA GLN 3 HA GLN 3 9.389 75.920 81.153 24 HB2 GLN 3 HB2 GLN 3 11.127 78.152 80.787 25 HB3 GLN 3 HB3 GLN 3 11.641 76.872 79.697 26 HG2 GLN 3 HG2 GLN 3 10.007 78.452 78.712 27 HG3 GLN 3 HG3 GLN 3 9.487 76.768 78.684 28 HE21 GLN 3 HE21 GLN 3 8.785 79.929 79.723 29 HE22 GLN 3 HE22 GLN 3 7.330 79.578 80.584 30 H LEU 4 H LEU 4 9.815 73.976 80.280 31 HA LEU 4 HA LEU 4 12.408 72.749 80.935 32 HG LEU 4 HG LEU 4 11.999 71.321 82.615 33 HB2 LEU 4 HB2 LEU 4 9.749 71.875 81.332 34 HB3 LEU 4 HB3 LEU 4 10.467 70.825 80.111 35 HD11 LEU 4 HD11 LEU 4 9.643 69.449 82.429 36 HD12 LEU 4 HD12 LEU 4 9.751 70.890 83.440 37 HD13 LEU 4 HD13 LEU 4 10.808 69.512 83.751 38 HD21 LEU 4 HD21 LEU 4 12.585 69.889 80.475 39 HD22 LEU 4 HD22 LEU 4 11.609 68.679 81.308 40 HD23 LEU 4 HD23 LEU 4 13.036 69.354 82.094 41 H GLN 5 H GLN 5 10.041 73.267 78.392 42 HA GLN 5 HA GLN 5 11.057 71.649 76.392 43 HB2 GLN 5 HB2 GLN 5 9.292 73.933 76.562 44 HB3 GLN 5 HB3 GLN 5 10.272 74.010 75.104 45 HG2 GLN 5 HG2 GLN 5 8.950 72.540 74.126 46 HG3 GLN 5 HG3 GLN 5 9.329 71.354 75.374 47 HE21 GLN 5 HE21 GLN 5 7.823 70.843 76.856 48 HE22 GLN 5 HE22 GLN 5 6.246 71.543 76.931 49 H GLU 6 H GLU 6 12.786 71.694 75.080 50 HA GLU 6 HA GLU 6 14.278 74.100 74.588 51 HB2 GLU 6 HB2 GLU 6 16.416 73.226 75.501 52 HB3 GLU 6 HB3 GLU 6 15.219 73.567 76.744 53 HG2 GLU 6 HG2 GLU 6 14.682 71.199 76.898 54 HG3 GLU 6 HG3 GLU 6 15.851 70.844 75.627 55 H HIS 7 H HIS 7 16.428 73.429 73.387 56 HA HIS 7 HA HIS 7 15.633 72.017 71.071 57 HD1 HIS 7 HD1 HIS 7 17.819 75.551 71.786 58 HD2 HIS 7 HD2 HIS 7 16.326 73.355 68.590 59 HE1 HIS 7 HE1 HIS 7 16.981 77.253 70.133 60 HB2 HIS 7 HB2 HIS 7 18.253 73.123 72.041 61 HB3 HIS 7 HB3 HIS 7 18.174 72.166 70.565 62 H ALA 8 H ALA 8 15.261 69.894 71.095 63 HA ALA 8 HA ALA 8 16.762 68.115 72.810 64 HB1 ALA 8 HB1 ALA 8 14.888 66.935 72.709 65 HB2 ALA 8 HB2 ALA 8 14.230 68.065 71.524 66 HB3 ALA 8 HB3 ALA 8 15.150 66.658 70.987 67 HA PRO 9 HA PRO 9 19.843 66.928 69.903 68 HB2 PRO 9 HB2 PRO 9 20.408 64.442 70.833 69 HB3 PRO 9 HB3 PRO 9 20.911 65.916 71.667 70 HG2 PRO 9 HG2 PRO 9 18.577 64.127 72.225 71 HG3 PRO 9 HG3 PRO 9 19.705 64.881 73.365 72 HD2 PRO 9 HD2 PRO 9 17.235 65.880 72.886 73 HD3 PRO 9 HD3 PRO 9 18.620 66.913 73.291 74 H SER 10 H SER 10 20.149 65.696 68.052 75 HA SER 10 HA SER 10 17.867 64.746 66.736 76 HG SER 10 HG SER 10 18.768 64.569 64.168 77 HB2 SER 10 HB2 SER 10 20.673 65.067 66.140 78 HB3 SER 10 HB3 SER 10 20.086 63.533 65.498 79 H HIS 11 H HIS 11 16.782 62.916 66.955 80 HA HIS 11 HA HIS 11 18.204 60.546 67.979 81 HD1 HIS 11 HD1 HIS 11 13.734 59.667 68.800 82 HD2 HIS 11 HD2 HIS 11 15.103 63.458 67.794 83 HE1 HIS 11 HE1 HIS 11 11.696 60.945 68.072 84 HB2 HIS 11 HB2 HIS 11 16.165 59.865 69.112 85 HB3 HIS 11 HB3 HIS 11 16.612 61.488 69.628 86 H ALA 12 H ALA 12 18.337 58.968 66.541 87 HA ALA 12 HA ALA 12 17.032 58.984 64.054 88 HB1 ALA 12 HB1 ALA 12 17.913 56.686 63.808 89 HB2 ALA 12 HB2 ALA 12 19.134 57.840 64.347 90 HB3 ALA 12 HB3 ALA 12 18.404 56.722 65.501 91 H ASN 13 H ASN 13 15.414 57.610 63.207 92 HA ASN 13 HA ASN 13 13.238 57.147 65.005 93 HB2 ASN 13 HB2 ASN 13 13.539 56.407 62.085 94 HB3 ASN 13 HB3 ASN 13 12.036 56.370 63.000 95 HD21 ASN 13 HD21 ASN 13 10.791 58.075 62.797 96 HD22 ASN 13 HD22 ASN 13 11.302 59.665 62.353 97 H LEU 14 H LEU 14 15.355 55.049 63.073 98 HA LEU 14 HA LEU 14 14.213 52.669 64.280 99 HG LEU 14 HG LEU 14 15.269 50.854 61.304 100 HB2 LEU 14 HB2 LEU 14 15.391 53.211 61.848 101 HB3 LEU 14 HB3 LEU 14 16.641 52.313 62.709 102 HD11 LEU 14 HD11 LEU 14 16.259 50.117 63.511 103 HD12 LEU 14 HD12 LEU 14 14.926 49.144 62.891 104 HD13 LEU 14 HD13 LEU 14 14.642 50.301 64.192 105 HD21 LEU 14 HD21 LEU 14 12.975 51.627 63.102 106 HD22 LEU 14 HD22 LEU 14 12.937 50.482 61.761 107 HD23 LEU 14 HD23 LEU 14 13.192 52.199 61.446 108 H ASP 15 H ASP 15 16.007 54.820 65.633 109 HA ASP 15 HA ASP 15 18.454 53.921 66.389 110 HB2 ASP 15 HB2 ASP 15 17.874 55.948 67.353 111 HB3 ASP 15 HB3 ASP 15 16.303 55.359 67.891 112 H VAL 16 H VAL 16 15.395 52.986 67.961 113 HA VAL 16 HA VAL 16 16.702 50.965 69.547 114 HB VAL 16 HB VAL 16 14.491 50.432 70.396 115 HG11 VAL 16 HG11 VAL 16 15.821 52.616 70.987 116 HG12 VAL 16 HG12 VAL 16 14.434 53.407 70.236 117 HG13 VAL 16 HG13 VAL 16 14.200 52.347 71.626 118 HG21 VAL 16 HG21 VAL 16 12.535 51.801 69.556 119 HG22 VAL 16 HG22 VAL 16 13.543 52.221 68.172 120 HG23 VAL 16 HG23 VAL 16 13.117 50.537 68.472 121 H LYS 17 H LYS 17 15.827 48.701 69.555 122 HA LYS 17 HA LYS 17 15.998 47.632 66.881 123 HB2 LYS 17 HB2 LYS 17 15.559 46.162 69.485 124 HB3 LYS 17 HB3 LYS 17 16.070 45.459 67.956 125 HG2 LYS 17 HG2 LYS 17 18.211 46.117 68.212 126 HG3 LYS 17 HG3 LYS 17 17.767 47.626 69.013 127 HD2 LYS 17 HD2 LYS 17 18.354 46.690 70.945 128 HD3 LYS 17 HD3 LYS 17 16.985 45.589 70.766 129 HE2 LYS 17 HE2 LYS 17 18.491 43.943 70.753 130 HE3 LYS 17 HE3 LYS 17 18.911 44.487 69.129 131 HZ1 LYS 17 HZ1 LYS 17 20.200 45.974 71.232 132 HZ2 LYS 17 HZ2 LYS 17 20.856 45.298 69.827 133 HZ3 LYS 17 HZ3 LYS 17 20.628 44.338 71.201 134 H TRP 18 H TRP 18 14.465 45.581 66.566 135 HA TRP 18 HA TRP 18 11.958 46.520 65.898 136 HD1 TRP 18 HD1 TRP 18 13.631 46.207 64.052 137 HE1 TRP 18 HE1 TRP 18 15.445 45.100 62.600 138 HE3 TRP 18 HE3 TRP 18 13.296 41.428 65.837 139 HZ2 TRP 18 HZ2 TRP 18 16.582 42.541 62.255 140 HZ3 TRP 18 HZ3 TRP 18 14.782 39.709 64.891 141 HH2 TRP 18 HH2 TRP 18 16.391 40.256 63.138 142 HB2 TRP 18 HB2 TRP 18 12.421 43.639 66.643 143 HB3 TRP 18 HB3 TRP 18 11.368 44.294 65.392 144 H LEU 19 H LEU 19 9.880 45.288 66.772 145 HA LEU 19 HA LEU 19 9.137 46.426 69.149 146 HG LEU 19 HG LEU 19 7.119 45.469 70.228 147 HB2 LEU 19 HB2 LEU 19 7.595 45.403 67.529 148 HB3 LEU 19 HB3 LEU 19 8.133 43.806 68.043 149 HD11 LEU 19 HD11 LEU 19 5.633 46.283 68.494 150 HD12 LEU 19 HD12 LEU 19 4.763 45.211 69.591 151 HD13 LEU 19 HD13 LEU 19 5.265 44.630 68.004 152 HD21 LEU 19 HD21 LEU 19 6.218 43.456 70.968 153 HD22 LEU 19 HD22 LEU 19 7.692 42.959 70.135 154 HD23 LEU 19 HD23 LEU 19 6.129 42.784 69.339 155 H ASP 20 H ASP 20 10.470 43.177 68.660 156 HA ASP 20 HA ASP 20 10.927 43.023 71.569 157 HB2 ASP 20 HB2 ASP 20 9.897 41.034 69.637 158 HB3 ASP 20 HB3 ASP 20 11.067 40.428 70.805 159 H GLY 21 H GLY 21 12.948 42.545 72.285 160 HA2 GLY 21 HA2 GLY 21 15.007 41.184 71.321 161 HA3 GLY 21 HA3 GLY 21 15.070 42.601 70.282 162 H LEU 22 H LEU 22 14.415 44.606 72.063 163 HA LEU 22 HA LEU 22 16.858 45.201 73.242 164 HG LEU 22 HG LEU 22 16.215 47.019 71.920 165 HB2 LEU 22 HB2 LEU 22 14.086 46.244 73.733 166 HB3 LEU 22 HB3 LEU 22 15.486 46.879 74.593 167 HD11 LEU 22 HD11 LEU 22 14.365 48.237 70.866 168 HD12 LEU 22 HD12 LEU 22 13.339 47.860 72.249 169 HD13 LEU 22 HD13 LEU 22 13.939 46.562 71.217 170 HD21 LEU 22 HD21 LEU 22 16.468 48.619 73.930 171 HD22 LEU 22 HD22 LEU 22 14.941 49.305 73.374 172 HD23 LEU 22 HD23 LEU 22 16.345 49.304 72.308 173 H ARG 23 H ARG 23 17.441 45.429 75.489 174 HA ARG 23 HA ARG 23 16.599 43.127 77.038 175 HE ARG 23 HE ARG 23 19.468 40.541 78.243 176 HB2 ARG 23 HB2 ARG 23 19.020 44.224 76.706 177 HB3 ARG 23 HB3 ARG 23 18.524 45.101 78.147 178 HG2 ARG 23 HG2 ARG 23 18.752 43.308 79.469 179 HG3 ARG 23 HG3 ARG 23 18.064 42.211 78.270 180 HD2 ARG 23 HD2 ARG 23 20.500 43.018 77.191 181 HD3 ARG 23 HD3 ARG 23 20.830 42.758 78.903 182 HH11 ARG 23 HH11 ARG 23 22.180 42.146 76.763 183 HH12 ARG 23 HH12 ARG 23 22.861 40.687 76.123 184 HH21 ARG 23 HH21 ARG 23 20.356 38.613 77.405 185 HH22 ARG 23 HH22 ARG 23 21.822 38.679 76.488 186 H ALA 24 H ALA 24 16.775 46.652 77.514 187 HA ALA 24 HA ALA 24 14.319 46.697 78.966 188 HB1 ALA 24 HB1 ALA 24 14.966 46.740 81.110 189 HB2 ALA 24 HB2 ALA 24 16.438 45.967 80.522 190 HB3 ALA 24 HB3 ALA 24 16.394 47.714 80.761 191 H GLY 25 H GLY 25 13.881 48.931 79.860 192 HA2 GLY 25 HA2 GLY 25 14.542 51.282 79.835 193 HA3 GLY 25 HA3 GLY 25 15.342 50.970 78.301 194 H SER 26 H SER 26 13.856 50.197 76.518 195 HA SER 26 HA SER 26 11.814 52.124 76.148 196 HG SER 26 HG SER 26 12.393 49.039 73.562 197 HB2 SER 26 HB2 SER 26 11.382 50.976 74.025 198 HB3 SER 26 HB3 SER 26 13.115 51.175 74.278 199 H MET 27 H MET 27 11.669 48.587 76.558 200 HA MET 27 HA MET 27 9.090 47.971 76.402 201 HB2 MET 27 HB2 MET 27 10.784 47.222 78.792 202 HB3 MET 27 HB3 MET 27 9.360 46.361 78.222 203 HG2 MET 27 HG2 MET 27 10.585 45.982 76.063 204 HG3 MET 27 HG3 MET 27 12.023 46.619 76.859 205 HE1 MET 27 HE1 MET 27 13.121 44.453 79.371 206 HE2 MET 27 HE2 MET 27 12.260 45.992 79.336 207 HE3 MET 27 HE3 MET 27 11.510 44.580 80.079 208 H ALA 28 H ALA 28 10.479 49.509 79.300 209 HA ALA 28 HA ALA 28 8.207 49.736 80.839 210 HB1 ALA 28 HB1 ALA 28 9.319 51.388 82.079 211 HB2 ALA 28 HB2 ALA 28 10.606 50.381 81.414 212 HB3 ALA 28 HB3 ALA 28 10.238 51.943 80.679 213 H LEU 29 H LEU 29 9.426 52.122 78.486 214 HA LEU 29 HA LEU 29 6.984 53.665 78.690 215 HG LEU 29 HG LEU 29 8.945 55.018 79.604 216 HB2 LEU 29 HB2 LEU 29 9.592 53.974 77.278 217 HB3 LEU 29 HB3 LEU 29 8.200 54.900 76.718 218 HD11 LEU 29 HD11 LEU 29 10.310 56.607 77.437 219 HD12 LEU 29 HD12 LEU 29 11.059 55.336 78.402 220 HD13 LEU 29 HD13 LEU 29 10.509 56.821 79.177 221 HD21 LEU 29 HD21 LEU 29 7.934 57.136 77.716 222 HD22 LEU 29 HD22 LEU 29 7.966 57.185 79.479 223 HD23 LEU 29 HD23 LEU 29 6.881 56.071 78.648 224 H GLN 30 H GLN 30 7.421 50.841 77.372 225 HA GLN 30 HA GLN 30 6.544 49.654 75.638 226 HB2 GLN 30 HB2 GLN 30 4.586 51.949 75.473 227 HB3 GLN 30 HB3 GLN 30 4.341 50.315 74.873 228 HG2 GLN 30 HG2 GLN 30 4.638 51.130 77.755 229 HG3 GLN 30 HG3 GLN 30 3.144 50.660 76.946 230 HE21 GLN 30 HE21 GLN 30 4.143 49.427 79.254 231 HE22 GLN 30 HE22 GLN 30 4.551 47.794 78.866 232 H GLY 31 H GLY 31 8.740 51.051 74.868 233 HA2 GLY 31 HA2 GLY 31 8.725 52.879 72.875 234 HA3 GLY 31 HA3 GLY 31 9.815 51.500 72.870 235 H ASP 32 H ASP 32 7.435 49.667 72.665 236 HA ASP 32 HA ASP 32 7.453 49.338 69.876 237 HB2 ASP 32 HB2 ASP 32 5.289 47.920 70.511 238 HB3 ASP 32 HB3 ASP 32 6.915 47.364 70.901 239 H VAL 33 H VAL 33 4.753 50.369 71.970 240 HA VAL 33 HA VAL 33 3.270 51.333 69.681 241 HB VAL 33 HB VAL 33 1.544 51.965 71.315 242 HG11 VAL 33 HG11 VAL 33 0.810 49.875 71.163 243 HG12 VAL 33 HG12 VAL 33 2.432 49.374 70.683 244 HG13 VAL 33 HG13 VAL 33 1.965 49.342 72.383 245 HG21 VAL 33 HG21 VAL 33 2.474 52.623 73.286 246 HG22 VAL 33 HG22 VAL 33 2.112 50.949 73.707 247 HG23 VAL 33 HG23 VAL 33 3.746 51.402 73.221 248 H LYS 34 H LYS 34 5.339 52.626 72.144 249 HA LYS 34 HA LYS 34 4.517 55.318 72.076 250 HB2 LYS 34 HB2 LYS 34 5.893 54.849 73.874 251 HB3 LYS 34 HB3 LYS 34 7.004 53.887 72.908 252 HG2 LYS 34 HG2 LYS 34 8.164 55.724 72.163 253 HG3 LYS 34 HG3 LYS 34 6.796 56.815 72.398 254 HD2 LYS 34 HD2 LYS 34 7.379 57.264 74.517 255 HD3 LYS 34 HD3 LYS 34 7.741 55.573 74.869 256 HE2 LYS 34 HE2 LYS 34 9.604 57.114 73.128 257 HE3 LYS 34 HE3 LYS 34 9.634 57.402 74.866 258 HZ1 LYS 34 HZ1 LYS 34 11.152 55.598 73.855 259 HZ2 LYS 34 HZ2 LYS 34 9.752 54.649 73.832 260 HZ3 LYS 34 HZ3 LYS 34 10.332 55.265 75.296 261 H VAL 35 H VAL 35 6.730 53.467 70.070 262 HA VAL 35 HA VAL 35 7.513 55.836 68.569 263 HB VAL 35 HB VAL 35 9.068 54.451 67.406 264 HG11 VAL 35 HG11 VAL 35 10.168 53.222 69.407 265 HG12 VAL 35 HG12 VAL 35 10.009 54.978 69.456 266 HG13 VAL 35 HG13 VAL 35 8.878 53.963 70.352 267 HG21 VAL 35 HG21 VAL 35 7.202 52.338 68.132 268 HG22 VAL 35 HG22 VAL 35 8.356 52.423 66.801 269 HG23 VAL 35 HG23 VAL 35 8.886 51.886 68.395 270 H TRP 36 H TRP 36 5.186 53.338 68.432 271 HA TRP 36 HA TRP 36 4.736 52.801 65.812 272 HD1 TRP 36 HD1 TRP 36 1.610 55.046 65.964 273 HE1 TRP 36 HE1 TRP 36 -0.421 54.360 64.540 274 HE3 TRP 36 HE3 TRP 36 1.927 49.971 66.490 275 HZ2 TRP 36 HZ2 TRP 36 -1.718 51.983 63.745 276 HZ3 TRP 36 HZ3 TRP 36 0.253 48.562 65.365 277 HH2 TRP 36 HH2 TRP 36 -1.532 49.549 64.023 278 HB2 TRP 36 HB2 TRP 36 3.257 51.787 67.319 279 HB3 TRP 36 HB3 TRP 36 2.819 53.321 68.067 280 H MET 37 H MET 37 4.281 55.857 67.413 281 HA MET 37 HA MET 37 2.843 57.012 65.173 282 HB2 MET 37 HB2 MET 37 3.027 59.123 66.547 283 HB3 MET 37 HB3 MET 37 2.149 57.801 67.305 284 HG2 MET 37 HG2 MET 37 4.694 57.370 68.185 285 HG3 MET 37 HG3 MET 37 4.618 59.129 68.113 286 HE1 MET 37 HE1 MET 37 2.288 56.315 68.628 287 HE2 MET 37 HE2 MET 37 2.698 55.974 70.309 288 HE3 MET 37 HE3 MET 37 1.211 56.839 69.923 289 H GLN 38 H GLN 38 5.862 57.845 66.889 290 HA GLN 38 HA GLN 38 6.876 59.654 65.084 291 HB2 GLN 38 HB2 GLN 38 9.019 59.288 66.058 292 HB3 GLN 38 HB3 GLN 38 7.831 59.056 67.335 293 HG2 GLN 38 HG2 GLN 38 8.813 57.122 67.769 294 HG3 GLN 38 HG3 GLN 38 8.170 56.531 66.238 295 HE21 GLN 38 HE21 GLN 38 9.546 55.992 64.670 296 HE22 GLN 38 HE22 GLN 38 11.252 56.261 64.709 297 H ASN 39 H ASN 39 6.897 56.154 64.916 298 HA ASN 39 HA ASN 39 8.787 55.783 62.899 299 HB2 ASN 39 HB2 ASN 39 6.497 54.235 63.971 300 HB3 ASN 39 HB3 ASN 39 7.066 53.778 62.368 301 HD21 ASN 39 HD21 ASN 39 7.259 51.952 64.297 302 HD22 ASN 39 HD22 ASN 39 8.899 51.742 64.797 303 H LEU 40 H LEU 40 5.261 56.191 62.616 304 HA LEU 40 HA LEU 40 5.418 56.359 59.737 305 HG LEU 40 HG LEU 40 3.326 55.968 62.822 306 HB2 LEU 40 HB2 LEU 40 2.909 57.246 60.826 307 HB3 LEU 40 HB3 LEU 40 3.260 55.850 59.809 308 HD11 LEU 40 HD11 LEU 40 1.188 55.406 62.640 309 HD12 LEU 40 HD12 LEU 40 1.702 53.897 61.887 310 HD13 LEU 40 HD13 LEU 40 1.311 55.294 60.884 311 HD21 LEU 40 HD21 LEU 40 4.840 54.328 61.091 312 HD22 LEU 40 HD22 LEU 40 3.558 53.327 61.773 313 HD23 LEU 40 HD23 LEU 40 4.660 54.197 62.841 314 H GLU 41 H GLU 41 5.448 58.524 62.419 315 HA GLU 41 HA GLU 41 4.433 60.860 61.320 316 HB2 GLU 41 HB2 GLU 41 5.478 60.258 63.703 317 HB3 GLU 41 HB3 GLU 41 6.874 61.069 63.007 318 HG2 GLU 41 HG2 GLU 41 5.947 63.087 63.200 319 HG3 GLU 41 HG3 GLU 41 4.377 62.525 62.629 320 H ASP 42 H ASP 42 7.760 59.616 61.198 321 HA ASP 42 HA ASP 42 8.645 61.766 59.497 322 HB2 ASP 42 HB2 ASP 42 9.881 59.796 61.114 323 HB3 ASP 42 HB3 ASP 42 10.450 59.539 59.467 324 H LEU 43 H LEU 43 8.290 58.243 59.071 325 HA LEU 43 HA LEU 43 8.886 58.101 56.372 326 HG LEU 43 HG LEU 43 7.860 54.556 56.461 327 HB2 LEU 43 HB2 LEU 43 8.246 56.290 58.208 328 HB3 LEU 43 HB3 LEU 43 6.682 56.399 57.402 329 HD11 LEU 43 HD11 LEU 43 7.670 56.998 54.755 330 HD12 LEU 43 HD12 LEU 43 6.678 55.540 54.745 331 HD13 LEU 43 HD13 LEU 43 8.312 55.499 54.082 332 HD21 LEU 43 HD21 LEU 43 10.066 54.621 55.629 333 HD22 LEU 43 HD22 LEU 43 10.124 55.418 57.201 334 HD23 LEU 43 HD23 LEU 43 10.134 56.382 55.725 335 H HIS 44 H HIS 44 5.608 58.236 57.780 336 HA HIS 44 HA HIS 44 4.083 58.422 55.547 337 HD1 HIS 44 HD1 HIS 44 1.420 57.809 56.041 338 HD2 HIS 44 HD2 HIS 44 1.685 61.824 57.075 339 HE1 HIS 44 HE1 HIS 44 -0.727 58.851 55.248 340 HB2 HIS 44 HB2 HIS 44 3.265 58.474 57.921 341 HB3 HIS 44 HB3 HIS 44 3.667 60.188 57.964 342 H THR 45 H THR 45 6.051 60.977 56.949 343 HA THR 45 HA THR 45 5.122 63.161 55.503 344 HB THR 45 HB THR 45 8.005 62.670 56.268 345 HG1 THR 45 HG1 THR 45 6.092 64.052 57.836 346 HG21 THR 45 HG21 THR 45 8.044 64.591 54.985 347 HG22 THR 45 HG22 THR 45 7.766 65.256 56.594 348 HG23 THR 45 HG23 THR 45 6.419 65.076 55.469 349 H ARG 46 H ARG 46 7.519 60.716 54.614 350 HA ARG 46 HA ARG 46 7.876 61.957 51.996 351 HE ARG 46 HE ARG 46 11.558 57.694 51.941 352 HB2 ARG 46 HB2 ARG 46 9.858 61.151 53.234 353 HB3 ARG 46 HB3 ARG 46 9.209 59.518 53.185 354 HG2 ARG 46 HG2 ARG 46 9.365 60.735 50.552 355 HG3 ARG 46 HG3 ARG 46 10.932 60.638 51.361 356 HD2 ARG 46 HD2 ARG 46 9.348 58.209 51.642 357 HD3 ARG 46 HD3 ARG 46 9.698 58.612 49.961 358 HH11 ARG 46 HH11 ARG 46 11.204 59.539 49.009 359 HH12 ARG 46 HH12 ARG 46 12.849 59.308 48.512 360 HH21 ARG 46 HH21 ARG 46 13.723 57.384 51.296 361 HH22 ARG 46 HH22 ARG 46 14.279 58.081 49.814 362 H ARG 47 H ARG 47 7.354 58.608 53.118 363 HA ARG 47 HA ARG 47 5.628 58.201 50.763 364 HE ARG 47 HE ARG 47 4.836 55.362 48.141 365 HB2 ARG 47 HB2 ARG 47 7.881 56.912 51.023 366 HB3 ARG 47 HB3 ARG 47 6.996 55.951 52.200 367 HG2 ARG 47 HG2 ARG 47 6.820 54.764 50.197 368 HG3 ARG 47 HG3 ARG 47 5.270 55.589 50.367 369 HD2 ARG 47 HD2 ARG 47 6.618 57.452 48.987 370 HD3 ARG 47 HD3 ARG 47 7.445 56.006 48.409 371 HH11 ARG 47 HH11 ARG 47 6.733 58.096 47.119 372 HH12 ARG 47 HH12 ARG 47 5.771 58.402 45.711 373 HH21 ARG 47 HH21 ARG 47 3.561 55.755 46.291 374 HH22 ARG 47 HH22 ARG 47 3.966 57.072 45.242 375 HA PRO 48 HA PRO 48 2.513 57.708 53.943 376 HB2 PRO 48 HB2 PRO 48 0.435 57.469 52.212 377 HB3 PRO 48 HB3 PRO 48 1.164 59.024 52.629 378 HG2 PRO 48 HG2 PRO 48 1.613 57.307 50.219 379 HG3 PRO 48 HG3 PRO 48 1.413 59.066 50.317 380 HD2 PRO 48 HD2 PRO 48 3.838 57.886 50.069 381 HD3 PRO 48 HD3 PRO 48 3.602 59.404 50.958 382 H ASP 49 H ASP 49 2.842 55.647 51.083 383 HA ASP 49 HA ASP 49 1.267 53.508 52.088 384 HB2 ASP 49 HB2 ASP 49 1.685 53.770 49.693 385 HB3 ASP 49 HB3 ASP 49 3.408 53.515 49.952 386 H GLU 50 H GLU 50 4.787 53.993 51.866 387 HA GLU 50 HA GLU 50 5.431 51.583 53.228 388 HB2 GLU 50 HB2 GLU 50 6.865 53.844 52.077 389 HB3 GLU 50 HB3 GLU 50 7.604 53.277 53.569 390 HG2 GLU 50 HG2 GLU 50 8.574 52.198 51.615 391 HG3 GLU 50 HG3 GLU 50 7.770 51.033 52.666 392 H PHE 51 H PHE 51 4.204 54.527 54.300 393 HA PHE 51 HA PHE 51 5.386 55.160 56.654 394 HD1 PHE 51 HD1 PHE 51 2.090 53.473 55.127 395 HD2 PHE 51 HD2 PHE 51 1.665 55.884 58.608 396 HE1 PHE 51 HE1 PHE 51 0.022 52.270 55.703 397 HE2 PHE 51 HE2 PHE 51 -0.403 54.685 59.191 398 HZ PHE 51 HZ PHE 51 -1.227 52.875 57.737 399 HB2 PHE 51 HB2 PHE 51 3.446 56.247 57.228 400 HB3 PHE 51 HB3 PHE 51 3.130 55.970 55.519 401 H THR 52 H THR 52 3.322 52.379 56.041 402 HA THR 52 HA THR 52 3.294 51.543 58.798 403 HB THR 52 HB THR 52 1.380 50.997 57.410 404 HG1 THR 52 HG1 THR 52 1.236 48.844 58.010 405 HG21 THR 52 HG21 THR 52 2.811 48.952 55.831 406 HG22 THR 52 HG22 THR 52 3.106 50.629 55.373 407 HG23 THR 52 HG23 THR 52 1.461 49.992 55.380 408 H ALA 53 H ALA 53 5.249 50.969 55.992 409 HA ALA 53 HA ALA 53 6.409 48.517 56.620 410 HB1 ALA 53 HB1 ALA 53 7.719 48.904 54.842 411 HB2 ALA 53 HB2 ALA 53 6.706 50.329 54.611 412 HB3 ALA 53 HB3 ALA 53 8.251 50.472 55.451 413 H ARG 54 H ARG 54 6.744 51.560 58.157 414 HA ARG 54 HA ARG 54 9.318 51.024 59.338 415 HE ARG 54 HE ARG 54 12.279 54.344 60.324 416 HB2 ARG 54 HB2 ARG 54 8.358 53.330 58.818 417 HB3 ARG 54 HB3 ARG 54 7.332 53.109 60.229 418 HG2 ARG 54 HG2 ARG 54 8.962 53.765 61.572 419 HG3 ARG 54 HG3 ARG 54 10.045 52.531 60.925 420 HD2 ARG 54 HD2 ARG 54 9.736 54.674 59.037 421 HD3 ARG 54 HD3 ARG 54 10.223 55.312 60.607 422 HH11 ARG 54 HH11 ARG 54 10.045 52.977 58.030 423 HH12 ARG 54 HH12 ARG 54 11.267 52.108 57.162 424 HH21 ARG 54 HH21 ARG 54 13.896 53.204 59.189 425 HH22 ARG 54 HH22 ARG 54 13.456 52.236 57.823 426 H LEU 55 H LEU 55 6.117 51.601 60.808 427 HA LEU 55 HA LEU 55 6.840 50.413 63.280 428 HG LEU 55 HG LEU 55 3.604 49.433 62.287 429 HB2 LEU 55 HB2 LEU 55 4.788 51.044 64.012 430 HB3 LEU 55 HB3 LEU 55 4.915 52.091 62.599 431 HD11 LEU 55 HD11 LEU 55 1.815 51.633 63.048 432 HD12 LEU 55 HD12 LEU 55 2.794 50.976 64.360 433 HD13 LEU 55 HD13 LEU 55 1.734 49.913 63.433 434 HD21 LEU 55 HD21 LEU 55 2.883 50.311 60.365 435 HD22 LEU 55 HD22 LEU 55 4.070 51.585 60.641 436 HD23 LEU 55 HD23 LEU 55 2.394 51.820 61.136 437 H GLN 56 H GLN 56 5.079 49.251 60.446 438 HA GLN 56 HA GLN 56 4.023 46.896 61.309 439 HB2 GLN 56 HB2 GLN 56 3.787 47.695 59.015 440 HB3 GLN 56 HB3 GLN 56 5.487 47.364 58.706 441 HG2 GLN 56 HG2 GLN 56 4.908 45.354 58.000 442 HG3 GLN 56 HG3 GLN 56 4.419 44.962 59.648 443 HE21 GLN 56 HE21 GLN 56 2.256 45.000 60.196 444 HE22 GLN 56 HE22 GLN 56 0.997 45.070 59.014 445 H GLN 57 H GLN 57 7.404 47.518 60.489 446 HA GLN 57 HA GLN 57 8.377 44.913 60.633 447 HB2 GLN 57 HB2 GLN 57 9.515 47.620 60.809 448 HB3 GLN 57 HB3 GLN 57 10.464 46.375 61.612 449 HG2 GLN 57 HG2 GLN 57 11.016 45.343 59.674 450 HG3 GLN 57 HG3 GLN 57 9.505 45.783 58.879 451 HE21 GLN 57 HE21 GLN 57 10.364 46.613 57.039 452 HE22 GLN 57 HE22 GLN 57 11.342 48.036 56.989 453 H SER 58 H SER 58 7.615 47.204 63.171 454 HA SER 58 HA SER 58 8.806 45.576 65.243 455 HG SER 58 HG SER 58 9.454 48.686 65.597 456 HB2 SER 58 HB2 SER 58 7.478 48.227 65.097 457 HB3 SER 58 HB3 SER 58 7.354 47.368 66.631 458 H THR 59 H THR 59 5.488 46.776 64.698 459 HA THR 59 HA THR 59 4.127 45.259 66.507 460 HB THR 59 HB THR 59 3.111 45.766 63.707 461 HG1 THR 59 HG1 THR 59 2.335 47.755 64.667 462 HG21 THR 59 HG21 THR 59 1.646 45.568 66.341 463 HG22 THR 59 HG22 THR 59 1.737 44.282 65.139 464 HG23 THR 59 HG23 THR 59 0.924 45.798 64.749 465 H ASP 60 H ASP 60 5.744 44.149 63.687 466 HA ASP 60 HA ASP 60 4.329 41.792 63.143 467 HB2 ASP 60 HB2 ASP 60 6.650 43.035 62.187 468 HB3 ASP 60 HB3 ASP 60 7.180 41.456 62.761 469 H ALA 61 H ALA 61 6.873 42.495 65.474 470 HA ALA 61 HA ALA 61 7.392 39.846 66.278 471 HB1 ALA 61 HB1 ALA 61 8.485 42.267 66.850 472 HB2 ALA 61 HB2 ALA 61 7.657 41.892 68.362 473 HB3 ALA 61 HB3 ALA 61 8.853 40.771 67.708 474 H LEU 62 H LEU 62 5.216 42.317 67.623 475 HA LEU 62 HA LEU 62 4.202 40.613 69.672 476 HG LEU 62 HG LEU 62 1.975 41.893 70.842 477 HB2 LEU 62 HB2 LEU 62 4.190 43.262 69.320 478 HB3 LEU 62 HB3 LEU 62 2.580 42.894 68.702 479 HD11 LEU 62 HD11 LEU 62 3.630 41.057 72.077 480 HD12 LEU 62 HD12 LEU 62 3.905 42.710 72.627 481 HD13 LEU 62 HD13 LEU 62 4.844 42.062 71.282 482 HD21 LEU 62 HD21 LEU 62 1.389 44.148 70.728 483 HD22 LEU 62 HD22 LEU 62 3.066 44.686 70.831 484 HD23 LEU 62 HD23 LEU 62 2.265 44.018 72.253 485 H TYR 63 H TYR 63 3.217 41.413 66.400 486 HA TYR 63 HA TYR 63 0.622 40.345 66.467 487 HD1 TYR 63 HD1 TYR 63 3.510 39.240 63.365 488 HD2 TYR 63 HD2 TYR 63 -0.700 39.852 63.408 489 HE1 TYR 63 HE1 TYR 63 3.250 37.538 61.608 490 HE2 TYR 63 HE2 TYR 63 -0.972 38.151 61.652 491 HH TYR 63 HH TYR 63 1.480 37.051 59.766 492 HB2 TYR 63 HB2 TYR 63 0.777 41.417 64.493 493 HB3 TYR 63 HB3 TYR 63 2.524 41.219 64.423 494 H SER 64 H SER 64 3.722 38.861 65.577 495 HA SER 64 HA SER 64 2.482 36.271 65.201 496 HG SER 64 HG SER 64 3.720 34.856 64.244 497 HB2 SER 64 HB2 SER 64 4.727 37.451 64.145 498 HB3 SER 64 HB3 SER 64 5.416 36.358 65.346 499 H HIS 65 H HIS 65 4.573 37.869 67.550 500 HA HIS 65 HA HIS 65 5.355 35.781 69.142 501 HD1 HIS 65 HD1 HIS 65 6.420 35.749 71.567 502 HD2 HIS 65 HD2 HIS 65 4.006 39.012 72.452 503 HE1 HIS 65 HE1 HIS 65 6.177 35.746 74.070 504 HB2 HIS 65 HB2 HIS 65 6.171 37.930 69.692 505 HB3 HIS 65 HB3 HIS 65 4.548 38.597 69.850 506 H LEU 66 H LEU 66 2.264 37.525 69.283 507 HA LEU 66 HA LEU 66 1.228 35.945 71.423 508 HG LEU 66 HG LEU 66 -1.537 36.062 71.104 509 HB2 LEU 66 HB2 LEU 66 0.473 38.239 70.939 510 HB3 LEU 66 HB3 LEU 66 -0.231 37.671 69.426 511 HD11 LEU 66 HD11 LEU 66 -0.369 38.146 72.785 512 HD12 LEU 66 HD12 LEU 66 -1.077 36.592 73.226 513 HD13 LEU 66 HD13 LEU 66 -2.118 37.988 72.951 514 HD21 LEU 66 HD21 LEU 66 -3.135 38.246 71.266 515 HD22 LEU 66 HD22 LEU 66 -2.994 37.215 69.841 516 HD23 LEU 66 HD23 LEU 66 -2.062 38.709 69.943 517 H GLU 67 H GLU 67 0.420 36.105 67.951 518 HA GLU 67 HA GLU 67 -1.389 34.028 67.837 519 HB2 GLU 67 HB2 GLU 67 -0.614 35.649 65.988 520 HB3 GLU 67 HB3 GLU 67 0.643 34.464 65.663 521 HG2 GLU 67 HG2 GLU 67 -1.269 32.773 65.472 522 HG3 GLU 67 HG3 GLU 67 -2.322 34.183 65.360 523 H ALA 68 H ALA 68 2.119 33.895 67.908 524 HA ALA 68 HA ALA 68 2.167 31.029 67.481 525 HB1 ALA 68 HB1 ALA 68 3.996 33.092 67.093 526 HB2 ALA 68 HB2 ALA 68 4.662 32.133 68.417 527 HB3 ALA 68 HB3 ALA 68 4.280 31.364 66.877 528 H GLN 69 H GLN 69 3.309 33.191 70.084 529 HA GLN 69 HA GLN 69 3.756 31.159 71.964 530 HB2 GLN 69 HB2 GLN 69 4.665 33.464 72.125 531 HB3 GLN 69 HB3 GLN 69 3.050 34.049 72.506 532 HG2 GLN 69 HG2 GLN 69 4.450 33.796 74.498 533 HG3 GLN 69 HG3 GLN 69 3.021 32.765 74.546 534 HE21 GLN 69 HE21 GLN 69 3.251 30.577 74.566 535 HE22 GLN 69 HE22 GLN 69 4.777 29.777 74.693 536 H TRP 70 H TRP 70 0.998 33.397 71.660 537 HA TRP 70 HA TRP 70 -0.526 32.239 73.729 538 HD1 TRP 70 HD1 TRP 70 -1.552 35.345 74.711 539 HE1 TRP 70 HE1 TRP 70 -3.768 35.200 76.012 540 HE3 TRP 70 HE3 TRP 70 -3.970 31.900 71.810 541 HZ2 TRP 70 HZ2 TRP 70 -6.217 33.807 75.832 542 HZ3 TRP 70 HZ3 TRP 70 -6.247 31.213 72.444 543 HH2 TRP 70 HH2 TRP 70 -7.345 32.148 74.414 544 HB2 TRP 70 HB2 TRP 70 -0.778 34.507 72.357 545 HB3 TRP 70 HB3 TRP 70 -1.907 33.530 71.423 546 H ALA 71 H ALA 71 -0.072 31.389 70.392 547 HA ALA 71 HA ALA 71 -2.312 29.941 69.763 548 HB1 ALA 71 HB1 ALA 71 -1.067 29.620 67.956 549 HB2 ALA 71 HB2 ALA 71 0.393 30.073 68.838 550 HB3 ALA 71 HB3 ALA 71 -0.154 28.396 68.838 551 H LYS 72 H LYS 72 0.395 28.956 71.802 552 HA LYS 72 HA LYS 72 -0.146 26.262 72.102 553 HB2 LYS 72 HB2 LYS 72 0.821 28.135 74.270 554 HB3 LYS 72 HB3 LYS 72 1.044 26.391 74.222 555 HG2 LYS 72 HG2 LYS 72 2.066 27.899 71.902 556 HG3 LYS 72 HG3 LYS 72 2.906 28.144 73.436 557 HD2 LYS 72 HD2 LYS 72 4.060 26.311 72.826 558 HD3 LYS 72 HD3 LYS 72 2.640 25.443 73.415 559 HE2 LYS 72 HE2 LYS 72 1.744 25.279 71.205 560 HE3 LYS 72 HE3 LYS 72 2.982 26.357 70.564 561 HZ1 LYS 72 HZ1 LYS 72 4.175 24.557 70.129 562 HZ2 LYS 72 HZ2 LYS 72 3.081 23.550 70.936 563 HZ3 LYS 72 HZ3 LYS 72 4.336 24.292 71.793 564 H GLN 73 H GLN 73 -1.812 29.010 73.435 565 HA GLN 73 HA GLN 73 -3.178 27.764 75.541 566 HB2 GLN 73 HB2 GLN 73 -3.870 30.128 73.805 567 HB3 GLN 73 HB3 GLN 73 -4.894 29.609 75.136 568 HG2 GLN 73 HG2 GLN 73 -2.024 30.048 75.715 569 HG3 GLN 73 HG3 GLN 73 -3.024 31.467 75.410 570 HE21 GLN 73 HE21 GLN 73 -4.785 31.890 76.797 571 HE22 GLN 73 HE22 GLN 73 -4.839 31.238 78.396 572 H HIS 74 H HIS 74 -4.419 28.519 72.280 573 HA HIS 74 HA HIS 74 -6.083 26.099 72.452 574 HD1 HIS 74 HD1 HIS 74 -8.657 25.487 72.129 575 HD2 HIS 74 HD2 HIS 74 -8.480 29.022 74.305 576 HE1 HIS 74 HE1 HIS 74 -10.318 25.210 73.997 577 HB2 HIS 74 HB2 HIS 74 -6.933 28.887 72.103 578 HB3 HIS 74 HB3 HIS 74 -7.596 27.785 70.899 579 H GLY 75 H GLY 75 -4.953 28.640 70.215 580 HA2 GLY 75 HA2 GLY 75 -3.675 28.247 68.271 581 HA3 GLY 75 HA3 GLY 75 -4.124 26.549 68.346 582 H THR 76 H THR 76 -6.985 27.702 68.836 583 HA THR 76 HA THR 76 -7.709 27.631 66.023 584 HB THR 76 HB THR 76 -9.593 26.687 66.741 585 HG1 THR 76 HG1 THR 76 -10.613 28.653 66.989 586 HG21 THR 76 HG21 THR 76 -9.660 25.756 68.864 587 HG22 THR 76 HG22 THR 76 -8.938 27.176 69.621 588 HG23 THR 76 HG23 THR 76 -7.939 26.087 68.660 589 HA PRO 77 HA PRO 77 -9.562 31.915 67.313 590 HB2 PRO 77 HB2 PRO 77 -8.737 32.943 69.687 591 HB3 PRO 77 HB3 PRO 77 -10.163 31.910 69.531 592 HG2 PRO 77 HG2 PRO 77 -7.395 31.194 70.416 593 HG3 PRO 77 HG3 PRO 77 -8.951 30.694 71.100 594 HD2 PRO 77 HD2 PRO 77 -7.499 29.100 69.463 595 HD3 PRO 77 HD3 PRO 77 -9.274 29.066 69.500 596 HA PRO 78 HA PRO 78 -5.014 33.635 67.851 597 HB2 PRO 78 HB2 PRO 78 -3.102 31.744 67.483 598 HB3 PRO 78 HB3 PRO 78 -3.750 32.157 69.074 599 HG2 PRO 78 HG2 PRO 78 -4.453 29.867 67.278 600 HG3 PRO 78 HG3 PRO 78 -4.198 29.876 69.034 601 HD2 PRO 78 HD2 PRO 78 -6.666 29.885 67.920 602 HD3 PRO 78 HD3 PRO 78 -6.312 30.688 69.464 603 H THR 79 H THR 79 -5.615 34.545 65.865 604 HA THR 79 HA THR 79 -4.197 33.442 63.574 605 HB THR 79 HB THR 79 -7.121 34.179 63.351 606 HG1 THR 79 HG1 THR 79 -5.883 31.608 63.292 607 HG21 THR 79 HG21 THR 79 -5.112 34.095 61.423 608 HG22 THR 79 HG22 THR 79 -6.852 34.100 61.134 609 HG23 THR 79 HG23 THR 79 -5.979 32.571 61.232 610 H ALA 80 H ALA 80 -3.573 34.976 62.072 611 HA ALA 80 HA ALA 80 -2.955 37.501 62.830 612 HB1 ALA 80 HB1 ALA 80 -3.597 36.471 60.079 613 HB2 ALA 80 HB2 ALA 80 -2.956 38.087 60.371 614 HB3 ALA 80 HB3 ALA 80 -2.014 36.668 60.829 615 H SER 81 H SER 81 -6.074 36.355 61.867 616 HA SER 81 HA SER 81 -7.215 38.906 61.276 617 HG SER 81 HG SER 81 -8.642 37.872 59.557 618 HB2 SER 81 HB2 SER 81 -8.356 36.169 61.798 619 HB3 SER 81 HB3 SER 81 -9.407 37.575 61.626 620 H ASP 82 H ASP 82 -7.073 36.837 64.131 621 HA ASP 82 HA ASP 82 -8.606 38.769 65.687 622 HB2 ASP 82 HB2 ASP 82 -7.415 36.111 66.509 623 HB3 ASP 82 HB3 ASP 82 -8.495 37.103 67.486 624 H VAL 83 H VAL 83 -5.408 37.210 65.786 625 HA VAL 83 HA VAL 83 -4.247 38.327 67.950 626 HB VAL 83 HB VAL 83 -2.855 38.250 65.274 627 HG11 VAL 83 HG11 VAL 83 -1.079 38.893 66.440 628 HG12 VAL 83 HG12 VAL 83 -2.006 38.861 67.941 629 HG13 VAL 83 HG13 VAL 83 -1.192 37.401 67.375 630 HG21 VAL 83 HG21 VAL 83 -3.021 36.034 65.241 631 HG22 VAL 83 HG22 VAL 83 -2.373 35.930 66.878 632 HG23 VAL 83 HG23 VAL 83 -4.109 36.121 66.627 633 H VAL 84 H VAL 84 -4.893 39.958 64.895 634 HA VAL 84 HA VAL 84 -3.455 42.274 65.135 635 HB VAL 84 HB VAL 84 -5.609 43.367 64.083 636 HG11 VAL 84 HG11 VAL 84 -5.002 42.105 61.903 637 HG12 VAL 84 HG12 VAL 84 -3.775 43.101 62.689 638 HG13 VAL 84 HG13 VAL 84 -3.751 41.348 62.889 639 HG21 VAL 84 HG21 VAL 84 -6.199 40.462 63.578 640 HG22 VAL 84 HG22 VAL 84 -7.005 41.394 64.840 641 HG23 VAL 84 HG23 VAL 84 -7.176 41.865 63.150 642 H GLY 85 H GLY 85 -6.560 41.514 66.669 643 HA2 GLY 85 HA2 GLY 85 -6.065 43.732 68.543 644 HA3 GLY 85 HA3 GLY 85 -7.635 43.578 67.768 645 H MET 86 H MET 86 -6.123 40.607 68.447 646 HA MET 86 HA MET 86 -8.164 39.882 70.307 647 HB2 MET 86 HB2 MET 86 -7.338 38.183 68.845 648 HB3 MET 86 HB3 MET 86 -5.677 38.471 69.345 649 HG2 MET 86 HG2 MET 86 -7.767 37.520 71.271 650 HG3 MET 86 HG3 MET 86 -6.851 36.407 70.256 651 HE1 MET 86 HE1 MET 86 -5.513 35.162 71.128 652 HE2 MET 86 HE2 MET 86 -3.868 35.740 71.394 653 HE3 MET 86 HE3 MET 86 -4.867 35.260 72.767 654 HA PRO 87 HA PRO 87 -4.408 39.948 73.392 655 HB2 PRO 87 HB2 PRO 87 -2.305 41.498 72.653 656 HB3 PRO 87 HB3 PRO 87 -2.417 39.778 72.257 657 HG2 PRO 87 HG2 PRO 87 -3.036 42.159 70.551 658 HG3 PRO 87 HG3 PRO 87 -2.173 40.670 70.123 659 HD2 PRO 87 HD2 PRO 87 -4.768 41.088 69.471 660 HD3 PRO 87 HD3 PRO 87 -4.122 39.475 69.833 661 H GLN 88 H GLN 88 -2.970 42.095 74.299 662 HA GLN 88 HA GLN 88 -5.067 43.908 75.053 663 HB2 GLN 88 HB2 GLN 88 -3.298 44.972 76.442 664 HB3 GLN 88 HB3 GLN 88 -3.473 43.247 76.732 665 HG2 GLN 88 HG2 GLN 88 -1.559 43.204 74.849 666 HG3 GLN 88 HG3 GLN 88 -1.216 44.760 75.604 667 HE21 GLN 88 HE21 GLN 88 -1.716 41.338 76.296 668 HE22 GLN 88 HE22 GLN 88 -0.697 41.287 77.691 669 H TRP 89 H TRP 89 -1.973 44.222 73.325 670 HA TRP 89 HA TRP 89 -1.917 46.899 72.807 671 HD1 TRP 89 HD1 TRP 89 -2.506 46.299 69.090 672 HE1 TRP 89 HE1 TRP 89 -2.676 44.446 67.311 673 HE3 TRP 89 HE3 TRP 89 0.250 42.681 71.422 674 HZ2 TRP 89 HZ2 TRP 89 -1.762 41.800 66.945 675 HZ3 TRP 89 HZ3 TRP 89 0.554 40.516 70.292 676 HH2 TRP 89 HH2 TRP 89 -0.433 40.087 68.099 677 HB2 TRP 89 HB2 TRP 89 -0.382 46.444 71.146 678 HB3 TRP 89 HB3 TRP 89 -0.357 44.921 72.031 679 H GLN 90 H GLN 90 -4.215 44.624 71.663 680 HA GLN 90 HA GLN 90 -5.116 45.536 69.276 681 HB2 GLN 90 HB2 GLN 90 -7.339 44.791 69.898 682 HB3 GLN 90 HB3 GLN 90 -6.138 43.677 70.538 683 HG2 GLN 90 HG2 GLN 90 -7.557 43.900 72.321 684 HG3 GLN 90 HG3 GLN 90 -6.337 45.118 72.690 685 HE21 GLN 90 HE21 GLN 90 -8.755 45.290 73.876 686 HE22 GLN 90 HE22 GLN 90 -9.653 46.618 73.231 687 H GLU 91 H GLU 91 -5.950 46.936 72.436 688 HA GLU 91 HA GLU 91 -7.373 49.125 71.192 689 HB2 GLU 91 HB2 GLU 91 -7.821 47.943 73.501 690 HB3 GLU 91 HB3 GLU 91 -6.634 49.097 74.090 691 HG2 GLU 91 HG2 GLU 91 -8.025 50.922 73.133 692 HG3 GLU 91 HG3 GLU 91 -9.250 49.715 72.742 693 H TYR 92 H TYR 92 -4.577 48.919 73.402 694 HA TYR 92 HA TYR 92 -3.717 51.483 73.426 695 HD1 TYR 92 HD1 TYR 92 -3.225 51.770 75.402 696 HD2 TYR 92 HD2 TYR 92 -1.882 47.738 75.193 697 HE1 TYR 92 HE1 TYR 92 -3.666 51.504 77.807 698 HE2 TYR 92 HE2 TYR 92 -2.320 47.460 77.596 699 HH TYR 92 HH TYR 92 -4.005 49.872 79.447 700 HB2 TYR 92 HB2 TYR 92 -2.069 48.962 73.234 701 HB3 TYR 92 HB3 TYR 92 -1.362 50.545 73.541 702 H THR 93 H THR 93 -2.720 49.099 70.968 703 HA THR 93 HA THR 93 -1.161 50.666 69.360 704 HB THR 93 HB THR 93 -1.675 48.214 69.036 705 HG1 THR 93 HG1 THR 93 -2.004 49.481 66.556 706 HG21 THR 93 HG21 THR 93 -3.969 49.197 67.353 707 HG22 THR 93 HG22 THR 93 -4.185 48.608 69.001 708 HG23 THR 93 HG23 THR 93 -3.546 47.534 67.757 709 H ALA 94 H ALA 94 -4.667 50.621 69.562 710 HA ALA 94 HA ALA 94 -4.995 52.399 67.306 711 HB1 ALA 94 HB1 ALA 94 -7.063 51.598 67.305 712 HB2 ALA 94 HB2 ALA 94 -6.651 50.616 68.710 713 HB3 ALA 94 HB3 ALA 94 -7.345 52.222 68.930 714 H MET 95 H MET 95 -5.403 52.597 70.834 715 HA MET 95 HA MET 95 -6.346 55.123 71.164 716 HB2 MET 95 HB2 MET 95 -4.629 53.335 72.731 717 HB3 MET 95 HB3 MET 95 -4.418 55.037 73.118 718 HG2 MET 95 HG2 MET 95 -6.680 55.280 73.731 719 HG3 MET 95 HG3 MET 95 -7.113 53.725 73.026 720 HE1 MET 95 HE1 MET 95 -8.039 52.985 76.395 721 HE2 MET 95 HE2 MET 95 -7.369 54.560 76.821 722 HE3 MET 95 HE3 MET 95 -8.270 54.361 75.317 723 H LEU 96 H LEU 96 -3.303 54.230 69.835 724 HA LEU 96 HA LEU 96 -1.899 56.650 70.314 725 HG LEU 96 HG LEU 96 -1.636 53.254 69.688 726 HB2 LEU 96 HB2 LEU 96 -1.395 54.904 67.938 727 HB3 LEU 96 HB3 LEU 96 -0.243 55.815 68.913 728 HD11 LEU 96 HD11 LEU 96 0.521 52.249 69.564 729 HD12 LEU 96 HD12 LEU 96 1.295 53.806 69.277 730 HD13 LEU 96 HD13 LEU 96 0.244 53.106 68.047 731 HD21 LEU 96 HD21 LEU 96 -0.285 55.311 71.279 732 HD22 LEU 96 HD22 LEU 96 0.311 53.672 71.541 733 HD23 LEU 96 HD23 LEU 96 -1.398 54.036 71.776 734 H ARG 97 H ARG 97 -3.515 55.405 67.386 735 HA ARG 97 HA ARG 97 -3.328 57.980 66.093 736 HE ARG 97 HE ARG 97 -3.280 53.869 62.825 737 HB2 ARG 97 HB2 ARG 97 -4.668 56.818 64.291 738 HB3 ARG 97 HB3 ARG 97 -3.102 56.106 64.655 739 HG2 ARG 97 HG2 ARG 97 -4.974 54.839 66.333 740 HG3 ARG 97 HG3 ARG 97 -5.687 54.903 64.720 741 HD2 ARG 97 HD2 ARG 97 -2.846 54.038 65.070 742 HD3 ARG 97 HD3 ARG 97 -4.158 52.903 65.386 743 HH11 ARG 97 HH11 ARG 97 -5.936 52.511 64.620 744 HH12 ARG 97 HH12 ARG 97 -6.712 51.848 63.221 745 HH21 ARG 97 HH21 ARG 97 -4.292 53.000 60.976 746 HH22 ARG 97 HH22 ARG 97 -5.776 52.125 61.148 747 H GLU 98 H GLU 98 -5.860 55.977 67.538 748 HA GLU 98 HA GLU 98 -7.956 57.834 66.907 749 HB2 GLU 98 HB2 GLU 98 -8.393 55.424 67.143 750 HB3 GLU 98 HB3 GLU 98 -7.931 55.508 68.837 751 HG2 GLU 98 HG2 GLU 98 -10.211 55.583 68.988 752 HG3 GLU 98 HG3 GLU 98 -9.810 57.300 68.980 753 H ARG 99 H ARG 99 -6.405 56.817 69.952 754 HA ARG 99 HA ARG 99 -7.498 59.186 71.273 755 HE ARG 99 HE ARG 99 -8.858 56.693 75.252 756 HB2 ARG 99 HB2 ARG 99 -7.361 56.664 72.169 757 HB3 ARG 99 HB3 ARG 99 -5.808 57.244 72.755 758 HG2 ARG 99 HG2 ARG 99 -7.111 57.731 74.554 759 HG3 ARG 99 HG3 ARG 99 -7.278 59.238 73.652 760 HD2 ARG 99 HD2 ARG 99 -9.475 58.945 73.554 761 HD3 ARG 99 HD3 ARG 99 -9.240 57.418 72.703 762 HH11 ARG 99 HH11 ARG 99 -11.355 58.583 73.732 763 HH12 ARG 99 HH12 ARG 99 -12.582 58.106 74.859 764 HH21 ARG 99 HH21 ARG 99 -10.464 56.059 76.742 765 HH22 ARG 99 HH22 ARG 99 -12.074 56.672 76.571 766 H PHE 100 H PHE 100 -5.240 59.184 69.292 767 HA PHE 100 HA PHE 100 -2.736 59.493 70.232 768 HD1 PHE 100 HD1 PHE 100 -5.940 61.141 68.008 769 HD2 PHE 100 HD2 PHE 100 -2.299 63.244 68.672 770 HE1 PHE 100 HE1 PHE 100 -7.103 63.274 67.616 771 HE2 PHE 100 HE2 PHE 100 -3.457 65.379 68.283 772 HZ PHE 100 HZ PHE 100 -5.862 65.396 67.755 773 HB2 PHE 100 HB2 PHE 100 -2.279 60.905 68.428 774 HB3 PHE 100 HB3 PHE 100 -3.708 60.027 67.891 775 H ALA 101 H ALA 101 -5.460 61.458 71.057 776 HA ALA 101 HA ALA 101 -4.267 63.797 71.944 777 HB1 ALA 101 HB1 ALA 101 -6.517 62.569 73.482 778 HB2 ALA 101 HB2 ALA 101 -6.242 64.258 73.056 779 HB3 ALA 101 HB3 ALA 101 -6.764 63.111 71.822 780 H GLY 102 H GLY 102 -4.721 60.729 73.672 781 HA2 GLY 102 HA2 GLY 102 -3.752 61.558 76.171 782 HA3 GLY 102 HA3 GLY 102 -3.746 59.904 75.578 783 H LEU 103 H LEU 103 -2.071 60.834 73.235 784 HA LEU 103 HA LEU 103 0.444 60.155 74.307 785 HG LEU 103 HG LEU 103 -1.593 59.728 71.806 786 HB2 LEU 103 HB2 LEU 103 0.046 61.625 71.721 787 HB3 LEU 103 HB3 LEU 103 1.310 60.471 72.142 788 HD11 LEU 103 HD11 LEU 103 -0.890 58.794 69.631 789 HD12 LEU 103 HD12 LEU 103 0.678 59.574 69.830 790 HD13 LEU 103 HD13 LEU 103 -0.782 60.553 69.692 791 HD21 LEU 103 HD21 LEU 103 -0.854 57.892 72.852 792 HD22 LEU 103 HD22 LEU 103 0.840 58.323 72.615 793 HD23 LEU 103 HD23 LEU 103 -0.054 57.521 71.324 794 H ASP 104 H ASP 104 1.308 61.448 75.831 795 HA ASP 104 HA ASP 104 1.840 64.240 75.065 796 HB2 ASP 104 HB2 ASP 104 0.268 63.325 77.271 797 HB3 ASP 104 HB3 ASP 104 1.728 64.083 77.900 798 H THR 105 H THR 105 3.949 64.536 74.873 799 HA THR 105 HA THR 105 6.206 64.220 75.057 800 HB THR 105 HB THR 105 5.650 65.450 77.173 801 HG1 THR 105 HG1 THR 105 7.703 64.688 78.213 802 HG21 THR 105 HG21 THR 105 4.421 63.990 78.500 803 HG22 THR 105 HG22 THR 105 6.010 63.951 79.262 804 HG23 THR 105 HG23 THR 105 5.510 62.637 78.197 805 H ILE 106 H ILE 106 4.643 61.816 74.577 806 HA ILE 106 HA ILE 106 5.402 59.627 76.113 807 HB ILE 106 HB ILE 106 3.795 59.835 74.031 808 HG12 ILE 106 HG12 ILE 106 3.862 57.358 73.816 809 HG13 ILE 106 HG13 ILE 106 5.379 57.347 74.709 810 HG21 ILE 106 HG21 ILE 106 5.617 60.307 72.446 811 HG22 ILE 106 HG22 ILE 106 6.298 58.715 72.778 812 HG23 ILE 106 HG23 ILE 106 4.715 58.855 72.014 813 HD11 ILE 106 HD11 ILE 106 4.190 57.139 76.559 814 HD12 ILE 106 HD12 ILE 106 3.603 58.782 76.304 815 HD13 ILE 106 HD13 ILE 106 2.683 57.410 75.685
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