NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17736 | 2cto | 11132 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -4.132 13.971 16.691 2 HA2 GLY 1 1HA GLY 1 -2.688 14.755 18.460 3 HA3 GLY 1 2HA GLY 1 -1.461 13.634 17.891 4 H SER 2 H SER 2 0.144 15.156 17.625 5 HA SER 2 HA SER 2 -0.301 17.559 16.113 6 HB2 SER 2 1HB SER 2 1.344 17.658 17.855 7 HB3 SER 2 2HB SER 2 2.203 16.261 17.204 8 HG SER 2 HG SER 2 3.345 17.761 16.254 9 H SER 3 H SER 3 -1.075 16.757 14.117 10 HA SER 3 HA SER 3 1.018 16.188 12.225 11 HB2 SER 3 1HB SER 3 0.222 13.939 13.272 12 HB3 SER 3 2HB SER 3 -1.215 14.176 12.277 13 HG SER 3 HG SER 3 1.175 13.254 11.544 14 H GLY 4 H GLY 4 0.563 17.176 10.361 15 HA2 GLY 4 1HA GLY 4 -1.776 18.702 10.023 16 HA3 GLY 4 2HA GLY 4 -0.589 18.364 8.771 17 H SER 5 H SER 5 -2.690 18.435 7.515 18 HA SER 5 HA SER 5 -4.151 15.897 7.658 19 HB2 SER 5 1HB SER 5 -5.489 17.976 7.652 20 HB3 SER 5 2HB SER 5 -4.799 18.402 6.086 21 HG SER 5 HG SER 5 -6.389 17.286 5.299 22 H SER 6 H SER 6 -4.215 14.460 5.982 23 HA SER 6 HA SER 6 -3.034 15.088 3.424 24 HB2 SER 6 1HB SER 6 -1.027 14.553 4.714 25 HB3 SER 6 2HB SER 6 -1.746 13.029 5.234 26 HG SER 6 HG SER 6 -1.315 12.173 3.345 27 H GLY 7 H GLY 7 -3.148 13.195 1.923 28 HA2 GLY 7 1HA GLY 7 -4.108 11.157 1.234 29 HA3 GLY 7 2HA GLY 7 -5.039 11.118 2.724 30 H MET 8 H MET 8 -5.452 11.217 -0.438 31 HA MET 8 HA MET 8 -7.903 12.825 -0.219 32 HB2 MET 8 1HB MET 8 -5.904 12.848 -2.481 33 HB3 MET 8 2HB MET 8 -7.534 13.489 -2.629 34 HG2 MET 8 1HG MET 8 -7.097 15.299 -1.318 35 HG3 MET 8 2HG MET 8 -5.854 14.465 -0.389 36 HE1 MET 8 1HE MET 8 -3.957 13.413 -1.578 37 HE2 MET 8 2HE MET 8 -3.481 13.756 -3.240 38 HE3 MET 8 3HE MET 8 -2.766 14.671 -1.912 39 HA PRO 9 HA PRO 9 -9.897 9.231 -1.792 40 HB2 PRO 9 1HB PRO 9 -12.146 10.379 -2.789 41 HB3 PRO 9 2HB PRO 9 -11.856 10.178 -1.057 42 HG2 PRO 9 1HG PRO 9 -11.481 12.603 -2.771 43 HG3 PRO 9 2HG PRO 9 -12.186 12.478 -1.148 44 HD2 PRO 9 1HD PRO 9 -9.646 13.316 -1.573 45 HD3 PRO 9 2HD PRO 9 -10.124 12.413 -0.121 46 H ASN 10 H ASN 10 -9.250 8.179 -3.558 47 HA ASN 10 HA ASN 10 -9.977 9.078 -6.176 48 HB2 ASN 10 1HB ASN 10 -7.144 9.309 -5.237 49 HB3 ASN 10 2HB ASN 10 -7.455 8.852 -6.910 50 HD21 ASN 10 1HD2 ASN 10 -9.308 10.297 -7.877 51 HD22 ASN 10 2HD2 ASN 10 -9.054 11.994 -7.672 52 H ARG 11 H ARG 11 -10.758 7.242 -6.963 53 HA ARG 11 HA ARG 11 -9.691 4.682 -6.153 54 HB2 ARG 11 1HB ARG 11 -12.172 5.317 -6.614 55 HB3 ARG 11 2HB ARG 11 -11.753 5.056 -8.301 56 HG2 ARG 11 1HG ARG 11 -11.418 2.793 -8.008 57 HG3 ARG 11 2HG ARG 11 -11.134 2.956 -6.274 58 HD2 ARG 11 1HD ARG 11 -13.246 2.082 -6.247 59 HD3 ARG 11 2HD ARG 11 -13.628 3.804 -6.291 60 HE ARG 11 HE ARG 11 -14.538 3.507 -8.366 61 HH11 ARG 11 1HH1 ARG 11 -12.518 0.772 -7.615 62 HH12 ARG 11 2HH1 ARG 11 -12.997 -0.131 -9.014 63 HH21 ARG 11 1HH2 ARG 11 -15.176 2.327 -10.211 64 HH22 ARG 11 2HH2 ARG 11 -14.508 0.754 -10.490 65 H LYS 12 H LYS 12 -7.654 4.483 -7.018 66 HA LYS 12 HA LYS 12 -7.242 4.898 -9.864 67 HB2 LYS 12 1HB LYS 12 -5.465 4.301 -7.528 68 HB3 LYS 12 2HB LYS 12 -4.882 3.994 -9.159 69 HG2 LYS 12 1HG LYS 12 -5.365 6.357 -9.724 70 HG3 LYS 12 2HG LYS 12 -5.802 6.631 -8.036 71 HD2 LYS 12 1HD LYS 12 -3.154 5.412 -8.668 72 HD3 LYS 12 2HD LYS 12 -3.376 7.147 -8.902 73 HE2 LYS 12 1HE LYS 12 -4.108 5.768 -6.334 74 HE3 LYS 12 2HE LYS 12 -2.483 6.376 -6.641 75 HZ1 LYS 12 1HZ LYS 12 -4.672 7.798 -5.702 76 HZ2 LYS 12 2HZ LYS 12 -4.376 8.370 -7.265 77 HZ3 LYS 12 3HZ LYS 12 -3.146 8.404 -6.105 78 H ALA 13 H ALA 13 -6.883 3.321 -11.365 79 HA ALA 13 HA ALA 13 -7.972 0.747 -10.871 80 HB1 ALA 13 1HB ALA 13 -6.321 0.924 -13.258 81 HB2 ALA 13 2HB ALA 13 -8.049 0.605 -13.096 82 HB3 ALA 13 3HB ALA 13 -7.457 2.266 -13.111 83 H SER 14 H SER 14 -4.655 1.893 -11.437 84 HA SER 14 HA SER 14 -3.485 -0.693 -11.149 85 HB2 SER 14 1HB SER 14 -2.228 2.058 -10.998 86 HB3 SER 14 2HB SER 14 -1.335 0.540 -11.094 87 HG SER 14 HG SER 14 -3.244 1.335 -13.030 88 H ARG 15 H ARG 15 -2.347 -1.560 -9.422 89 HA ARG 15 HA ARG 15 -3.312 -0.834 -6.829 90 HB2 ARG 15 1HB ARG 15 -1.298 -2.876 -7.767 91 HB3 ARG 15 2HB ARG 15 -1.722 -2.659 -6.074 92 HG2 ARG 15 1HG ARG 15 -3.120 -4.370 -6.650 93 HG3 ARG 15 2HG ARG 15 -4.164 -2.981 -6.962 94 HD2 ARG 15 1HD ARG 15 -3.775 -3.100 -9.297 95 HD3 ARG 15 2HD ARG 15 -2.448 -4.241 -9.087 96 HE ARG 15 HE ARG 15 -4.621 -5.520 -8.040 97 HH11 ARG 15 1HH1 ARG 15 -3.862 -4.060 -11.109 98 HH12 ARG 15 2HH1 ARG 15 -4.876 -5.132 -12.016 99 HH21 ARG 15 1HH2 ARG 15 -5.958 -6.938 -9.225 100 HH22 ARG 15 2HH2 ARG 15 -6.069 -6.768 -10.944 101 H ASN 16 H ASN 16 -2.560 0.898 -5.800 102 HA ASN 16 HA ASN 16 0.299 1.549 -6.025 103 HB2 ASN 16 1HB ASN 16 -2.120 3.237 -5.408 104 HB3 ASN 16 2HB ASN 16 -0.488 3.796 -5.058 105 HD21 ASN 16 1HD2 ASN 16 0.977 4.071 -6.806 106 HD22 ASN 16 2HD2 ASN 16 0.389 4.368 -8.404 107 H ALA 17 H ALA 17 1.205 2.631 -4.009 108 HA ALA 17 HA ALA 17 1.569 0.967 -1.954 109 HB1 ALA 17 1HB ALA 17 2.359 3.468 -2.388 110 HB2 ALA 17 2HB ALA 17 1.180 3.782 -1.114 111 HB3 ALA 17 3HB ALA 17 2.528 2.684 -0.817 112 H TYR 18 H TYR 18 -1.120 3.280 -2.138 113 HA TYR 18 HA TYR 18 -2.268 2.660 0.352 114 HB2 TYR 18 1HB TYR 18 -2.822 4.672 -1.002 115 HB3 TYR 18 2HB TYR 18 -3.682 3.639 -2.138 116 HD1 TYR 18 2HD TYR 18 -3.602 4.299 1.545 117 HD2 TYR 18 1HD TYR 18 -5.970 3.513 -1.902 118 HE1 TYR 18 2HE TYR 18 -5.642 4.515 2.903 119 HE2 TYR 18 1HE TYR 18 -8.015 3.727 -0.554 120 HH TYR 18 HH TYR 18 -8.768 4.713 1.505 121 H TYR 19 H TYR 19 -2.820 1.338 -2.885 122 HA TYR 19 HA TYR 19 -4.978 -0.339 -2.221 123 HB2 TYR 19 1HB TYR 19 -4.491 0.168 -4.532 124 HB3 TYR 19 2HB TYR 19 -2.900 -0.573 -4.405 125 HD1 TYR 19 1HD TYR 19 -2.945 -3.117 -3.641 126 HD2 TYR 19 2HD TYR 19 -6.193 -1.071 -5.477 127 HE1 TYR 19 1HE TYR 19 -3.885 -5.271 -4.365 128 HE2 TYR 19 2HE TYR 19 -7.142 -3.221 -6.205 129 HH TYR 19 HH TYR 19 -5.437 -6.069 -6.231 130 H PHE 20 H PHE 20 -1.483 -0.906 -2.261 131 HA PHE 20 HA PHE 20 -1.563 -3.650 -1.656 132 HB2 PHE 20 1HB PHE 20 0.490 -1.501 -1.520 133 HB3 PHE 20 2HB PHE 20 0.801 -2.973 -0.606 134 HD1 PHE 20 2HD PHE 20 -0.399 -1.996 -4.004 135 HD2 PHE 20 1HD PHE 20 2.014 -4.602 -1.658 136 HE1 PHE 20 2HE PHE 20 0.401 -3.095 -6.054 137 HE2 PHE 20 1HE PHE 20 2.819 -5.703 -3.705 138 HZ PHE 20 HZ PHE 20 2.012 -4.952 -5.907 139 H PHE 21 H PHE 21 -1.437 -0.786 0.412 140 HA PHE 21 HA PHE 21 -1.094 -2.108 2.864 141 HB2 PHE 21 1HB PHE 21 -0.718 0.238 2.812 142 HB3 PHE 21 2HB PHE 21 -2.320 0.553 2.153 143 HD1 PHE 21 1HD PHE 21 -0.549 -0.654 5.175 144 HD2 PHE 21 2HD PHE 21 -4.130 0.985 3.561 145 HE1 PHE 21 1HE PHE 21 -1.411 -0.305 7.452 146 HE2 PHE 21 2HE PHE 21 -4.998 1.337 5.835 147 HZ PHE 21 HZ PHE 21 -3.638 0.693 7.785 148 H VAL 22 H VAL 22 -4.013 -1.191 1.089 149 HA VAL 22 HA VAL 22 -5.846 -2.033 3.085 150 HB VAL 22 HB VAL 22 -6.180 -1.569 0.125 151 HG11 VAL 22 1HG1 VAL 22 -7.873 -3.116 0.574 152 HG12 VAL 22 2HG1 VAL 22 -8.178 -2.455 2.182 153 HG13 VAL 22 3HG1 VAL 22 -8.666 -1.552 0.748 154 HG21 VAL 22 1HG2 VAL 22 -7.348 0.444 0.833 155 HG22 VAL 22 2HG2 VAL 22 -7.103 0.012 2.525 156 HG23 VAL 22 3HG2 VAL 22 -5.718 0.408 1.506 157 H GLN 23 H GLN 23 -4.462 -3.602 0.236 158 HA GLN 23 HA GLN 23 -5.999 -5.903 0.158 159 HB2 GLN 23 1HB GLN 23 -4.099 -5.087 -1.411 160 HB3 GLN 23 2HB GLN 23 -3.040 -5.994 -0.340 161 HG2 GLN 23 1HG GLN 23 -4.458 -8.003 -0.770 162 HG3 GLN 23 2HG GLN 23 -5.316 -7.061 -1.989 163 HE21 GLN 23 1HE2 GLN 23 -3.692 -9.485 -2.252 164 HE22 GLN 23 2HE2 GLN 23 -2.456 -9.103 -3.397 165 H GLU 24 H GLU 24 -3.155 -5.183 2.133 166 HA GLU 24 HA GLU 24 -3.145 -7.800 3.346 167 HB2 GLU 24 1HB GLU 24 -1.557 -5.283 3.752 168 HB3 GLU 24 2HB GLU 24 -1.444 -6.610 4.900 169 HG2 GLU 24 1HG GLU 24 -0.934 -6.904 1.952 170 HG3 GLU 24 2HG GLU 24 0.324 -6.579 3.143 171 H LYS 25 H LYS 25 -5.305 -5.485 3.619 172 HA LYS 25 HA LYS 25 -5.658 -5.850 6.523 173 HB2 LYS 25 1HB LYS 25 -6.306 -3.480 4.774 174 HB3 LYS 25 2HB LYS 25 -7.000 -3.687 6.377 175 HG2 LYS 25 1HG LYS 25 -4.039 -3.777 5.999 176 HG3 LYS 25 2HG LYS 25 -4.886 -2.231 6.082 177 HD2 LYS 25 1HD LYS 25 -5.792 -2.820 8.259 178 HD3 LYS 25 2HD LYS 25 -5.026 -4.407 8.169 179 HE2 LYS 25 1HE LYS 25 -3.534 -1.788 8.119 180 HE3 LYS 25 2HE LYS 25 -3.794 -2.756 9.570 181 HZ1 LYS 25 1HZ LYS 25 -2.028 -3.249 7.299 182 HZ2 LYS 25 2HZ LYS 25 -2.747 -4.598 8.022 183 HZ3 LYS 25 3HZ LYS 25 -1.784 -3.557 8.944 184 H ILE 26 H ILE 26 -6.950 -6.307 3.407 185 HA ILE 26 HA ILE 26 -9.672 -6.222 3.701 186 HB ILE 26 HB ILE 26 -7.851 -7.910 2.079 187 HG12 ILE 26 1HG1 ILE 26 -10.286 -6.246 1.403 188 HG13 ILE 26 2HG1 ILE 26 -8.623 -5.672 1.355 189 HG21 ILE 26 1HG2 ILE 26 -10.075 -8.943 1.133 190 HG22 ILE 26 2HG2 ILE 26 -9.232 -9.689 2.490 191 HG23 ILE 26 3HG2 ILE 26 -10.642 -8.671 2.780 192 HD11 ILE 26 1HD1 ILE 26 -10.025 -7.566 -0.466 193 HD12 ILE 26 2HD1 ILE 26 -9.028 -6.162 -0.849 194 HD13 ILE 26 3HD1 ILE 26 -8.274 -7.653 -0.287 195 HA PRO 27 HA PRO 27 -9.708 -10.702 5.516 196 HB2 PRO 27 1HB PRO 27 -7.324 -11.748 6.288 197 HB3 PRO 27 2HB PRO 27 -7.976 -11.943 4.657 198 HG2 PRO 27 1HG PRO 27 -5.921 -10.010 5.658 199 HG3 PRO 27 2HG PRO 27 -5.928 -10.961 4.160 200 HD2 PRO 27 1HD PRO 27 -6.615 -8.343 4.226 201 HD3 PRO 27 2HD PRO 27 -7.341 -9.493 3.085 202 H GLU 28 H GLU 28 -7.569 -8.244 6.733 203 HA GLU 28 HA GLU 28 -7.590 -9.077 9.459 204 HB2 GLU 28 1HB GLU 28 -5.892 -7.546 8.365 205 HB3 GLU 28 2HB GLU 28 -7.109 -6.279 8.437 206 HG2 GLU 28 1HG GLU 28 -6.955 -6.061 10.701 207 HG3 GLU 28 2HG GLU 28 -6.452 -7.734 10.940 208 H LEU 29 H LEU 29 -9.520 -6.828 7.543 209 HA LEU 29 HA LEU 29 -11.035 -5.866 9.773 210 HB2 LEU 29 1HB LEU 29 -11.486 -5.696 6.799 211 HB3 LEU 29 2HB LEU 29 -12.516 -4.913 7.997 212 HG LEU 29 HG LEU 29 -9.577 -4.333 7.639 213 HD11 LEU 29 1HD1 LEU 29 -11.444 -3.711 5.808 214 HD12 LEU 29 2HD1 LEU 29 -10.044 -2.698 6.161 215 HD13 LEU 29 3HD1 LEU 29 -11.606 -2.330 6.894 216 HD21 LEU 29 1HD2 LEU 29 -11.077 -2.241 8.850 217 HD22 LEU 29 2HD2 LEU 29 -9.746 -3.181 9.526 218 HD23 LEU 29 3HD2 LEU 29 -11.409 -3.742 9.714 219 H ARG 30 H ARG 30 -11.527 -8.297 7.258 220 HA ARG 30 HA ARG 30 -14.174 -8.925 7.594 221 HB2 ARG 30 1HB ARG 30 -11.778 -10.615 6.949 222 HB3 ARG 30 2HB ARG 30 -13.368 -11.351 7.102 223 HG2 ARG 30 1HG ARG 30 -14.229 -9.995 5.316 224 HG3 ARG 30 2HG ARG 30 -12.717 -9.088 5.226 225 HD2 ARG 30 1HD ARG 30 -12.507 -10.603 3.485 226 HD3 ARG 30 2HD ARG 30 -11.637 -11.399 4.797 227 HE ARG 30 HE ARG 30 -13.138 -13.098 4.640 228 HH11 ARG 30 1HH1 ARG 30 -14.645 -10.200 3.437 229 HH12 ARG 30 2HH1 ARG 30 -16.117 -10.994 2.989 230 HH21 ARG 30 1HH2 ARG 30 -15.072 -14.157 4.054 231 HH22 ARG 30 2HH2 ARG 30 -16.359 -13.245 3.341 232 H ARG 31 H ARG 31 -11.431 -10.098 9.515 233 HA ARG 31 HA ARG 31 -12.968 -11.780 11.199 234 HB2 ARG 31 1HB ARG 31 -10.232 -10.549 11.470 235 HB3 ARG 31 2HB ARG 31 -10.924 -11.572 12.721 236 HG2 ARG 31 1HG ARG 31 -10.845 -12.589 9.927 237 HG3 ARG 31 2HG ARG 31 -9.353 -12.558 10.870 238 HD2 ARG 31 1HD ARG 31 -10.777 -13.716 12.698 239 HD3 ARG 31 2HD ARG 31 -11.880 -14.084 11.372 240 HE ARG 31 HE ARG 31 -9.482 -14.921 10.438 241 HH11 ARG 31 1HH1 ARG 31 -11.261 -15.530 13.368 242 HH12 ARG 31 2HH1 ARG 31 -10.618 -17.125 13.583 243 HH21 ARG 31 1HH2 ARG 31 -8.629 -17.020 10.708 244 HH22 ARG 31 2HH2 ARG 31 -9.120 -17.971 12.069 245 H ARG 32 H ARG 32 -11.873 -8.430 11.470 246 HA ARG 32 HA ARG 32 -12.571 -7.896 14.092 247 HB2 ARG 32 1HB ARG 32 -12.600 -6.155 11.634 248 HB3 ARG 32 2HB ARG 32 -12.986 -5.523 13.228 249 HG2 ARG 32 1HG ARG 32 -10.690 -6.626 13.867 250 HG3 ARG 32 2HG ARG 32 -10.387 -6.462 12.136 251 HD2 ARG 32 1HD ARG 32 -9.569 -4.527 13.410 252 HD3 ARG 32 2HD ARG 32 -10.826 -4.082 12.256 253 HE ARG 32 HE ARG 32 -12.049 -4.587 14.714 254 HH11 ARG 32 1HH1 ARG 32 -9.838 -2.306 13.288 255 HH12 ARG 32 2HH1 ARG 32 -10.309 -1.002 14.327 256 HH21 ARG 32 1HH2 ARG 32 -12.676 -2.878 16.089 257 HH22 ARG 32 2HH2 ARG 32 -11.922 -1.329 15.921 258 H GLY 33 H GLY 33 -14.607 -7.936 11.205 259 HA2 GLY 33 1HA GLY 33 -16.913 -8.760 11.612 260 HA3 GLY 33 2HA GLY 33 -16.957 -7.650 12.974 261 H LEU 34 H LEU 34 -15.704 -7.085 9.710 262 HA LEU 34 HA LEU 34 -17.848 -5.106 9.311 263 HB2 LEU 34 1HB LEU 34 -14.919 -4.817 8.666 264 HB3 LEU 34 2HB LEU 34 -16.171 -3.708 8.109 265 HG LEU 34 HG LEU 34 -15.631 -4.217 11.026 266 HD11 LEU 34 1HD1 LEU 34 -14.275 -2.229 11.059 267 HD12 LEU 34 2HD1 LEU 34 -14.514 -1.992 9.329 268 HD13 LEU 34 3HD1 LEU 34 -13.591 -3.378 9.909 269 HD21 LEU 34 1HD2 LEU 34 -16.794 -2.102 11.316 270 HD22 LEU 34 2HD2 LEU 34 -17.809 -3.253 10.446 271 HD23 LEU 34 3HD2 LEU 34 -16.995 -1.955 9.570 272 HA PRO 35 HA PRO 35 -18.562 -7.147 5.479 273 HB2 PRO 35 1HB PRO 35 -19.789 -5.132 4.135 274 HB3 PRO 35 2HB PRO 35 -20.575 -6.038 5.434 275 HG2 PRO 35 1HG PRO 35 -19.246 -3.356 5.528 276 HG3 PRO 35 2HG PRO 35 -20.771 -3.876 6.269 277 HD2 PRO 35 1HD PRO 35 -18.460 -3.685 7.669 278 HD3 PRO 35 2HD PRO 35 -19.706 -4.892 8.044 279 H VAL 36 H VAL 36 -16.318 -7.337 4.883 280 HA VAL 36 HA VAL 36 -15.561 -5.439 2.765 281 HB VAL 36 HB VAL 36 -13.128 -6.062 3.494 282 HG11 VAL 36 1HG1 VAL 36 -13.472 -3.828 3.619 283 HG12 VAL 36 2HG1 VAL 36 -14.989 -4.000 4.503 284 HG13 VAL 36 3HG1 VAL 36 -13.451 -4.160 5.351 285 HG21 VAL 36 1HG2 VAL 36 -12.757 -6.802 5.615 286 HG22 VAL 36 2HG2 VAL 36 -14.244 -6.093 6.243 287 HG23 VAL 36 3HG2 VAL 36 -14.304 -7.593 5.319 288 H ALA 37 H ALA 37 -15.866 -6.620 0.973 289 HA ALA 37 HA ALA 37 -15.099 -9.435 0.929 290 HB1 ALA 37 1HB ALA 37 -16.631 -9.710 -0.683 291 HB2 ALA 37 2HB ALA 37 -17.218 -8.126 -0.174 292 HB3 ALA 37 3HB ALA 37 -16.123 -8.261 -1.550 293 H ARG 38 H ARG 38 -14.302 -6.378 -0.665 294 HA ARG 38 HA ARG 38 -11.750 -7.556 -1.497 295 HB2 ARG 38 1HB ARG 38 -11.915 -6.477 -3.698 296 HB3 ARG 38 2HB ARG 38 -13.195 -7.657 -3.459 297 HG2 ARG 38 1HG ARG 38 -14.701 -5.758 -2.823 298 HG3 ARG 38 2HG ARG 38 -13.415 -4.663 -3.336 299 HD2 ARG 38 1HD ARG 38 -13.468 -5.927 -5.556 300 HD3 ARG 38 2HD ARG 38 -14.995 -6.607 -4.994 301 HE ARG 38 HE ARG 38 -15.093 -3.813 -4.743 302 HH11 ARG 38 1HH1 ARG 38 -15.028 -6.282 -7.197 303 HH12 ARG 38 2HH1 ARG 38 -15.905 -5.337 -8.354 304 HH21 ARG 38 1HH2 ARG 38 -16.247 -2.560 -6.259 305 HH22 ARG 38 2HH2 ARG 38 -16.597 -3.219 -7.820 306 H VAL 39 H VAL 39 -10.436 -5.586 -2.589 307 HA VAL 39 HA VAL 39 -9.726 -3.878 -0.515 308 HB VAL 39 HB VAL 39 -9.283 -3.600 -3.485 309 HG11 VAL 39 1HG1 VAL 39 -8.055 -1.992 -1.247 310 HG12 VAL 39 2HG1 VAL 39 -7.575 -1.929 -2.944 311 HG13 VAL 39 3HG1 VAL 39 -9.184 -1.391 -2.461 312 HG21 VAL 39 1HG2 VAL 39 -6.911 -4.183 -2.695 313 HG22 VAL 39 2HG2 VAL 39 -7.685 -4.706 -1.200 314 HG23 VAL 39 3HG2 VAL 39 -8.111 -5.474 -2.729 315 H ALA 40 H ALA 40 -11.618 -3.102 -3.435 316 HA ALA 40 HA ALA 40 -12.160 -0.468 -3.057 317 HB1 ALA 40 1HB ALA 40 -14.611 -1.391 -3.879 318 HB2 ALA 40 2HB ALA 40 -13.242 -1.026 -4.930 319 HB3 ALA 40 3HB ALA 40 -13.518 -2.680 -4.383 320 H ASP 41 H ASP 41 -13.511 -3.164 -1.276 321 HA ASP 41 HA ASP 41 -15.473 -1.549 0.087 322 HB2 ASP 41 1HB ASP 41 -14.567 -4.407 0.339 323 HB3 ASP 41 2HB ASP 41 -15.657 -3.689 1.520 324 H ALA 42 H ALA 42 -12.327 -2.974 0.841 325 HA ALA 42 HA ALA 42 -12.347 -1.917 3.535 326 HB1 ALA 42 1HB ALA 42 -10.563 -3.669 1.947 327 HB2 ALA 42 2HB ALA 42 -9.836 -2.759 3.272 328 HB3 ALA 42 3HB ALA 42 -11.176 -3.861 3.590 329 H ILE 43 H ILE 43 -12.171 -0.342 0.803 330 HA ILE 43 HA ILE 43 -9.734 1.088 0.887 331 HB ILE 43 HB ILE 43 -12.336 1.427 -0.492 332 HG12 ILE 43 1HG1 ILE 43 -9.465 1.681 -1.413 333 HG13 ILE 43 2HG1 ILE 43 -10.413 0.199 -1.468 334 HG21 ILE 43 1HG2 ILE 43 -10.411 3.691 -0.023 335 HG22 ILE 43 2HG2 ILE 43 -11.571 3.668 -1.350 336 HG23 ILE 43 3HG2 ILE 43 -12.140 3.647 0.319 337 HD11 ILE 43 1HD1 ILE 43 -10.681 0.920 -3.604 338 HD12 ILE 43 2HD1 ILE 43 -12.059 1.723 -2.851 339 HD13 ILE 43 3HD1 ILE 43 -10.575 2.624 -3.161 340 HA PRO 44 HA PRO 44 -12.227 4.534 3.181 341 HB2 PRO 44 1HB PRO 44 -14.693 3.878 4.110 342 HB3 PRO 44 2HB PRO 44 -14.421 4.544 2.497 343 HG2 PRO 44 1HG PRO 44 -14.830 1.698 3.324 344 HG3 PRO 44 2HG PRO 44 -15.513 2.568 1.939 345 HD2 PRO 44 1HD PRO 44 -13.399 0.893 1.708 346 HD3 PRO 44 2HD PRO 44 -13.596 2.330 0.683 347 H TYR 45 H TYR 45 -13.034 1.268 4.335 348 HA TYR 45 HA TYR 45 -12.979 1.832 7.079 349 HB2 TYR 45 1HB TYR 45 -12.350 -0.752 5.637 350 HB3 TYR 45 2HB TYR 45 -12.638 -0.611 7.367 351 HD1 TYR 45 2HD TYR 45 -14.935 0.927 7.762 352 HD2 TYR 45 1HD TYR 45 -14.119 -1.697 4.514 353 HE1 TYR 45 2HE TYR 45 -17.349 0.650 7.386 354 HE2 TYR 45 1HE TYR 45 -16.531 -1.981 4.128 355 HH TYR 45 HH TYR 45 -18.698 -0.334 4.747 356 H CYS 46 H CYS 46 -10.477 1.892 4.848 357 HA CYS 46 HA CYS 46 -8.485 1.748 7.010 358 HB2 CYS 46 1HB CYS 46 -8.393 0.532 4.266 359 HB3 CYS 46 2HB CYS 46 -6.902 0.988 5.083 360 HG CYS 46 HG CYS 46 -9.002 -0.891 6.912 361 H SER 47 H SER 47 -9.910 4.035 5.911 362 HA SER 47 HA SER 47 -7.967 5.440 4.278 363 HB2 SER 47 1HB SER 47 -10.733 6.022 5.262 364 HB3 SER 47 2HB SER 47 -9.715 7.359 4.729 365 HG SER 47 HG SER 47 -10.778 6.673 2.936 366 H SER 48 H SER 48 -9.130 5.426 7.591 367 HA SER 48 HA SER 48 -7.596 7.756 8.334 368 HB2 SER 48 1HB SER 48 -9.822 6.949 9.379 369 HB3 SER 48 2HB SER 48 -8.821 5.809 10.277 370 HG SER 48 HG SER 48 -8.118 8.523 10.248 371 H ASP 49 H ASP 49 -7.250 4.280 8.469 372 HA ASP 49 HA ASP 49 -5.057 4.223 10.276 373 HB2 ASP 49 1HB ASP 49 -6.666 2.310 9.436 374 HB3 ASP 49 2HB ASP 49 -5.430 2.104 8.198 375 H TRP 50 H TRP 50 -5.334 4.419 6.770 376 HA TRP 50 HA TRP 50 -2.604 4.032 6.174 377 HB2 TRP 50 1HB TRP 50 -4.200 3.799 4.409 378 HB3 TRP 50 2HB TRP 50 -4.821 5.426 4.671 379 HD1 TRP 50 HD TRP 50 -3.789 7.299 3.232 380 HE1 TRP 50 1HE TRP 50 -1.804 7.461 1.603 381 HE3 TRP 50 3HE TRP 50 -1.680 2.716 4.064 382 HZ2 TRP 50 2HZ TRP 50 0.370 5.860 0.779 383 HZ3 TRP 50 3HZ TRP 50 0.351 2.109 2.813 384 HH2 TRP 50 HH TRP 50 1.352 3.650 1.205 385 H ALA 51 H ALA 51 -4.495 6.902 6.951 386 HA ALA 51 HA ALA 51 -2.524 8.820 6.324 387 HB1 ALA 51 1HB ALA 51 -5.128 8.785 7.575 388 HB2 ALA 51 2HB ALA 51 -4.034 9.904 8.390 389 HB3 ALA 51 3HB ALA 51 -4.334 10.067 6.660 390 H LEU 52 H LEU 52 -2.889 6.656 8.978 391 HA LEU 52 HA LEU 52 -1.339 8.123 10.874 392 HB2 LEU 52 1HB LEU 52 -2.027 5.193 10.721 393 HB3 LEU 52 2HB LEU 52 -1.248 5.972 12.097 394 HG LEU 52 HG LEU 52 -3.975 6.771 11.102 395 HD11 LEU 52 1HD1 LEU 52 -3.491 4.290 12.018 396 HD12 LEU 52 2HD1 LEU 52 -4.996 5.162 12.307 397 HD13 LEU 52 3HD1 LEU 52 -3.740 5.138 13.545 398 HD21 LEU 52 1HD2 LEU 52 -2.213 7.936 12.909 399 HD22 LEU 52 2HD2 LEU 52 -3.390 7.090 13.914 400 HD23 LEU 52 3HD2 LEU 52 -3.934 8.282 12.733 401 H LEU 53 H LEU 53 -0.631 5.806 8.354 402 HA LEU 53 HA LEU 53 1.909 4.974 9.079 403 HB2 LEU 53 1HB LEU 53 0.548 5.387 6.455 404 HB3 LEU 53 2HB LEU 53 2.260 4.969 6.489 405 HG LEU 53 HG LEU 53 0.231 3.282 7.917 406 HD11 LEU 53 1HD1 LEU 53 0.506 3.651 5.049 407 HD12 LEU 53 2HD1 LEU 53 -0.736 2.803 5.969 408 HD13 LEU 53 3HD1 LEU 53 0.767 1.980 5.549 409 HD21 LEU 53 1HD2 LEU 53 1.941 1.893 8.263 410 HD22 LEU 53 2HD2 LEU 53 2.982 3.237 7.792 411 HD23 LEU 53 3HD2 LEU 53 2.502 2.031 6.597 412 H ARG 54 H ARG 54 4.011 5.646 8.292 413 HA ARG 54 HA ARG 54 4.227 8.570 8.220 414 HB2 ARG 54 1HB ARG 54 6.519 6.655 8.591 415 HB3 ARG 54 2HB ARG 54 6.416 8.345 9.066 416 HG2 ARG 54 1HG ARG 54 4.529 7.552 10.638 417 HG3 ARG 54 2HG ARG 54 5.208 5.945 10.371 418 HD2 ARG 54 1HD ARG 54 7.455 6.997 11.006 419 HD3 ARG 54 2HD ARG 54 6.503 8.347 11.621 420 HE ARG 54 HE ARG 54 6.003 7.076 13.442 421 HH11 ARG 54 1HH1 ARG 54 6.925 4.957 10.838 422 HH12 ARG 54 2HH1 ARG 54 6.850 3.522 11.806 423 HH21 ARG 54 1HH2 ARG 54 5.900 5.193 14.727 424 HH22 ARG 54 2HH2 ARG 54 6.266 3.658 14.017 425 H GLU 55 H GLU 55 5.739 9.579 6.766 426 HA GLU 55 HA GLU 55 5.429 9.079 4.131 427 HB2 GLU 55 1HB GLU 55 7.859 10.204 5.524 428 HB3 GLU 55 2HB GLU 55 7.655 10.230 3.779 429 HG2 GLU 55 1HG GLU 55 5.612 11.553 4.043 430 HG3 GLU 55 2HG GLU 55 5.842 11.543 5.791 431 H GLU 56 H GLU 56 8.040 7.765 6.149 432 HA GLU 56 HA GLU 56 9.455 6.394 4.200 433 HB2 GLU 56 1HB GLU 56 10.060 6.709 6.647 434 HB3 GLU 56 2HB GLU 56 9.001 5.350 6.992 435 HG2 GLU 56 1HG GLU 56 11.107 4.394 6.882 436 HG3 GLU 56 2HG GLU 56 10.416 4.060 5.295 437 H GLU 57 H GLU 57 6.717 5.253 6.159 438 HA GLU 57 HA GLU 57 6.607 2.656 5.095 439 HB2 GLU 57 1HB GLU 57 4.283 4.273 6.149 440 HB3 GLU 57 2HB GLU 57 4.393 2.521 6.054 441 HG2 GLU 57 1HG GLU 57 6.452 3.965 7.627 442 HG3 GLU 57 2HG GLU 57 4.829 3.829 8.300 443 H LYS 58 H LYS 58 4.659 5.528 4.281 444 HA LYS 58 HA LYS 58 3.129 4.486 2.249 445 HB2 LYS 58 1HB LYS 58 4.357 7.248 2.271 446 HB3 LYS 58 2HB LYS 58 2.914 6.753 1.396 447 HG2 LYS 58 1HG LYS 58 1.996 6.136 3.733 448 HG3 LYS 58 2HG LYS 58 3.289 7.180 4.330 449 HD2 LYS 58 1HD LYS 58 2.354 9.078 3.428 450 HD3 LYS 58 2HD LYS 58 1.509 8.188 2.160 451 HE2 LYS 58 1HE LYS 58 -0.155 7.439 3.666 452 HE3 LYS 58 2HE LYS 58 0.783 7.952 5.069 453 HZ1 LYS 58 1HZ LYS 58 0.391 10.190 3.460 454 HZ2 LYS 58 2HZ LYS 58 -0.262 9.885 4.989 455 HZ3 LYS 58 3HZ LYS 58 -1.108 9.419 3.599 456 H GLU 59 H GLU 59 6.393 5.861 2.004 457 HA GLU 59 HA GLU 59 6.653 5.571 -0.786 458 HB2 GLU 59 1HB GLU 59 8.111 6.911 0.876 459 HB3 GLU 59 2HB GLU 59 8.973 5.398 1.118 460 HG2 GLU 59 1HG GLU 59 9.621 5.316 -1.177 461 HG3 GLU 59 2HG GLU 59 8.588 6.690 -1.569 462 H LYS 60 H LYS 60 7.354 3.404 1.901 463 HA LYS 60 HA LYS 60 8.758 1.431 0.494 464 HB2 LYS 60 1HB LYS 60 8.826 1.298 2.845 465 HB3 LYS 60 2HB LYS 60 7.074 1.369 2.985 466 HG2 LYS 60 1HG LYS 60 7.004 -0.878 1.853 467 HG3 LYS 60 2HG LYS 60 8.757 -0.936 2.044 468 HD2 LYS 60 1HD LYS 60 6.734 -0.665 4.267 469 HD3 LYS 60 2HD LYS 60 7.639 -2.124 3.858 470 HE2 LYS 60 1HE LYS 60 8.879 0.489 4.712 471 HE3 LYS 60 2HE LYS 60 8.583 -0.878 5.785 472 HZ1 LYS 60 1HZ LYS 60 9.942 -1.998 3.735 473 HZ2 LYS 60 2HZ LYS 60 10.626 -1.508 5.202 474 HZ3 LYS 60 3HZ LYS 60 10.681 -0.481 3.860 475 H TYR 61 H TYR 61 5.287 1.648 1.257 476 HA TYR 61 HA TYR 61 4.551 -0.701 -0.121 477 HB2 TYR 61 1HB TYR 61 3.046 1.707 0.853 478 HB3 TYR 61 2HB TYR 61 2.236 0.492 -0.129 479 HD1 TYR 61 2HD TYR 61 1.874 -1.768 0.736 480 HD2 TYR 61 1HD TYR 61 3.715 1.233 3.125 481 HE1 TYR 61 2HE TYR 61 1.491 -3.139 2.741 482 HE2 TYR 61 1HE TYR 61 3.338 -0.130 5.137 483 HH TYR 61 HH TYR 61 2.547 -2.035 5.950 484 H ALA 62 H ALA 62 4.836 2.661 -1.113 485 HA ALA 62 HA ALA 62 3.615 2.337 -3.661 486 HB1 ALA 62 1HB ALA 62 5.575 4.474 -3.531 487 HB2 ALA 62 2HB ALA 62 3.831 4.552 -3.787 488 HB3 ALA 62 3HB ALA 62 4.480 4.479 -2.148 489 H GLU 63 H GLU 63 6.893 2.011 -2.454 490 HA GLU 63 HA GLU 63 8.140 1.875 -5.015 491 HB2 GLU 63 1HB GLU 63 9.231 2.410 -2.755 492 HB3 GLU 63 2HB GLU 63 9.241 0.673 -2.483 493 HG2 GLU 63 1HG GLU 63 10.823 0.288 -4.091 494 HG3 GLU 63 2HG GLU 63 10.406 1.736 -5.005 495 H MET 64 H MET 64 7.338 -0.614 -2.591 496 HA MET 64 HA MET 64 8.127 -2.820 -4.129 497 HB2 MET 64 1HB MET 64 6.729 -4.151 -2.594 498 HB3 MET 64 2HB MET 64 7.745 -3.002 -1.735 499 HG2 MET 64 1HG MET 64 5.735 -1.465 -1.696 500 HG3 MET 64 2HG MET 64 4.793 -2.851 -2.238 501 HE1 MET 64 1HE MET 64 5.233 -5.079 -1.296 502 HE2 MET 64 2HE MET 64 6.113 -5.412 0.196 503 HE3 MET 64 3HE MET 64 4.366 -5.174 0.237 504 H ALA 65 H ALA 65 5.117 -1.017 -4.009 505 HA ALA 65 HA ALA 65 3.575 -2.859 -5.530 506 HB1 ALA 65 1HB ALA 65 3.199 0.084 -4.998 507 HB2 ALA 65 2HB ALA 65 2.015 -0.942 -5.811 508 HB3 ALA 65 3HB ALA 65 2.457 -1.263 -4.134 509 H ARG 66 H ARG 66 5.254 0.163 -6.383 510 HA ARG 66 HA ARG 66 4.589 0.199 -9.094 511 HB2 ARG 66 1HB ARG 66 6.956 1.298 -7.586 512 HB3 ARG 66 2HB ARG 66 6.747 1.551 -9.314 513 HG2 ARG 66 1HG ARG 66 4.756 2.792 -8.982 514 HG3 ARG 66 2HG ARG 66 4.675 2.328 -7.281 515 HD2 ARG 66 1HD ARG 66 5.490 4.541 -7.307 516 HD3 ARG 66 2HD ARG 66 6.889 3.516 -6.989 517 HE ARG 66 HE ARG 66 6.886 3.831 -9.696 518 HH11 ARG 66 1HH1 ARG 66 6.881 6.002 -6.974 519 HH12 ARG 66 2HH1 ARG 66 7.751 7.250 -7.803 520 HH21 ARG 66 1HH2 ARG 66 8.032 5.467 -10.797 521 HH22 ARG 66 2HH2 ARG 66 8.405 6.945 -9.977 522 H GLU 67 H GLU 67 7.497 -1.109 -7.506 523 HA GLU 67 HA GLU 67 8.710 -2.096 -9.839 524 HB2 GLU 67 1HB GLU 67 10.169 -3.325 -8.395 525 HB3 GLU 67 2HB GLU 67 9.830 -1.783 -7.621 526 HG2 GLU 67 1HG GLU 67 8.211 -2.850 -6.159 527 HG3 GLU 67 2HG GLU 67 8.495 -4.396 -6.954 528 H TRP 68 H TRP 68 6.311 -3.465 -7.680 529 HA TRP 68 HA TRP 68 6.430 -6.129 -8.586 530 HB2 TRP 68 1HB TRP 68 5.292 -5.602 -6.524 531 HB3 TRP 68 2HB TRP 68 4.156 -4.551 -7.367 532 HD1 TRP 68 HD TRP 68 5.111 -8.314 -7.312 533 HE1 TRP 68 1HE TRP 68 2.973 -9.677 -7.755 534 HE3 TRP 68 3HE TRP 68 1.844 -4.463 -8.103 535 HZ2 TRP 68 2HZ TRP 68 0.261 -9.184 -8.361 536 HZ3 TRP 68 3HZ TRP 68 -0.504 -4.993 -8.610 537 HH2 TRP 68 HH TRP 68 -1.278 -7.306 -8.735 538 H ARG 69 H ARG 69 4.360 -3.413 -9.575 539 HA ARG 69 HA ARG 69 2.935 -4.857 -11.548 540 HB2 ARG 69 1HB ARG 69 3.354 -1.941 -10.976 541 HB3 ARG 69 2HB ARG 69 2.530 -2.444 -12.446 542 HG2 ARG 69 1HG ARG 69 0.833 -3.578 -11.157 543 HG3 ARG 69 2HG ARG 69 1.688 -3.205 -9.659 544 HD2 ARG 69 1HD ARG 69 0.141 -1.519 -9.667 545 HD3 ARG 69 2HD ARG 69 1.459 -0.734 -10.536 546 HE ARG 69 HE ARG 69 -1.092 -1.568 -11.615 547 HH11 ARG 69 1HH1 ARG 69 2.178 -0.584 -12.290 548 HH12 ARG 69 2HH1 ARG 69 1.830 -0.079 -13.910 549 HH21 ARG 69 1HH2 ARG 69 -1.563 -0.906 -13.746 550 HH22 ARG 69 2HH2 ARG 69 -0.298 -0.262 -14.737 551 H ALA 70 H ALA 70 5.841 -2.848 -11.664 552 HA ALA 70 HA ALA 70 6.160 -2.795 -14.453 553 HB1 ALA 70 1HB ALA 70 8.722 -2.682 -13.524 554 HB2 ALA 70 2HB ALA 70 7.622 -1.307 -13.637 555 HB3 ALA 70 3HB ALA 70 7.798 -2.171 -12.110 556 H ALA 71 H ALA 71 7.524 -4.995 -12.013 557 HA ALA 71 HA ALA 71 8.931 -6.607 -13.875 558 HB1 ALA 71 1HB ALA 71 9.188 -6.381 -11.289 559 HB2 ALA 71 2HB ALA 71 7.998 -7.683 -11.251 560 HB3 ALA 71 3HB ALA 71 9.535 -7.919 -12.081 561 H GLN 72 H GLN 72 5.682 -6.705 -12.550 562 HA GLN 72 HA GLN 72 5.076 -9.310 -13.587 563 HB2 GLN 72 1HB GLN 72 3.434 -7.113 -12.355 564 HB3 GLN 72 2HB GLN 72 2.674 -8.537 -13.053 565 HG2 GLN 72 1HG GLN 72 4.623 -8.460 -10.763 566 HG3 GLN 72 2HG GLN 72 2.904 -8.848 -10.692 567 HE21 GLN 72 1HE2 GLN 72 5.686 -10.250 -10.301 568 HE22 GLN 72 2HE2 GLN 72 5.409 -11.803 -11.007 569 H GLY 73 H GLY 73 4.964 -6.066 -14.786 570 HA2 GLY 73 1HA GLY 73 3.156 -6.715 -16.964 571 HA3 GLY 73 2HA GLY 73 3.935 -5.166 -16.678 572 H LYS 74 H LYS 74 6.401 -5.245 -16.976 573 HA LYS 74 HA LYS 74 7.141 -5.481 -19.524 574 HB2 LYS 74 1HB LYS 74 8.808 -6.232 -17.120 575 HB3 LYS 74 2HB LYS 74 9.473 -6.026 -18.736 576 HG2 LYS 74 1HG LYS 74 8.242 -3.689 -18.542 577 HG3 LYS 74 2HG LYS 74 8.474 -3.999 -16.819 578 HD2 LYS 74 1HD LYS 74 10.746 -4.307 -18.749 579 HD3 LYS 74 2HD LYS 74 10.305 -2.716 -18.125 580 HE2 LYS 74 1HE LYS 74 10.901 -3.255 -15.962 581 HE3 LYS 74 2HE LYS 74 10.685 -4.984 -16.222 582 HZ1 LYS 74 1HZ LYS 74 12.703 -5.101 -17.420 583 HZ2 LYS 74 2HZ LYS 74 13.039 -4.220 -16.016 584 HZ3 LYS 74 3HZ LYS 74 12.856 -3.417 -17.494 585 H ASP 75 H ASP 75 7.142 -8.190 -17.238 586 HA ASP 75 HA ASP 75 7.107 -10.022 -19.532 587 HB2 ASP 75 1HB ASP 75 9.006 -10.012 -17.225 588 HB3 ASP 75 2HB ASP 75 8.494 -11.561 -17.887 589 HA PRO 76 HA PRO 76 3.671 -11.815 -17.450 590 HB2 PRO 76 1HB PRO 76 3.694 -14.271 -18.607 591 HB3 PRO 76 2HB PRO 76 3.167 -12.813 -19.457 592 HG2 PRO 76 1HG PRO 76 5.806 -14.221 -19.569 593 HG3 PRO 76 2HG PRO 76 4.848 -13.534 -20.894 594 HD2 PRO 76 1HD PRO 76 6.982 -12.256 -19.825 595 HD3 PRO 76 2HD PRO 76 5.577 -11.388 -20.476 596 H GLY 77 H GLY 77 6.863 -13.103 -17.229 597 HA2 GLY 77 1HA GLY 77 6.104 -15.087 -15.225 598 HA3 GLY 77 2HA GLY 77 7.709 -14.855 -15.902 599 HA PRO 78 HA PRO 78 7.264 -12.894 -11.615 600 HB2 PRO 78 1HB PRO 78 8.892 -14.604 -10.276 601 HB3 PRO 78 2HB PRO 78 7.150 -14.863 -10.437 602 HG2 PRO 78 1HG PRO 78 9.398 -16.077 -11.998 603 HG3 PRO 78 2HG PRO 78 7.941 -16.851 -11.347 604 HD2 PRO 78 1HD PRO 78 8.173 -16.137 -13.949 605 HD3 PRO 78 2HD PRO 78 6.621 -16.116 -13.088 606 H SER 79 H SER 79 8.915 -11.721 -10.531 607 HA SER 79 HA SER 79 11.661 -11.916 -11.268 608 HB2 SER 79 1HB SER 79 9.947 -9.818 -12.572 609 HB3 SER 79 2HB SER 79 11.651 -9.503 -12.245 610 HG SER 79 HG SER 79 12.182 -11.282 -13.521 611 H GLU 80 H GLU 80 12.483 -11.597 -9.309 612 HA GLU 80 HA GLU 80 11.629 -9.207 -7.818 613 HB2 GLU 80 1HB GLU 80 12.366 -11.878 -6.610 614 HB3 GLU 80 2HB GLU 80 11.897 -10.433 -5.724 615 HG2 GLU 80 1HG GLU 80 9.724 -10.611 -7.159 616 HG3 GLU 80 2HG GLU 80 10.223 -12.292 -7.339 617 H LYS 81 H LYS 81 13.217 -7.955 -6.988 618 HA LYS 81 HA LYS 81 15.867 -8.876 -6.501 619 HB2 LYS 81 1HB LYS 81 17.015 -7.547 -8.216 620 HB3 LYS 81 2HB LYS 81 15.998 -8.789 -8.937 621 HG2 LYS 81 1HG LYS 81 14.874 -6.060 -8.566 622 HG3 LYS 81 2HG LYS 81 16.026 -6.341 -9.873 623 HD2 LYS 81 1HD LYS 81 14.611 -8.169 -10.708 624 HD3 LYS 81 2HD LYS 81 13.451 -7.849 -9.416 625 HE2 LYS 81 1HE LYS 81 12.712 -5.905 -10.377 626 HE3 LYS 81 2HE LYS 81 14.246 -5.596 -11.189 627 HZ1 LYS 81 1HZ LYS 81 12.802 -7.956 -12.069 628 HZ2 LYS 81 2HZ LYS 81 13.645 -6.802 -12.973 629 HZ3 LYS 81 3HZ LYS 81 12.074 -6.475 -12.441 630 H GLN 82 H GLN 82 17.300 -7.122 -5.772 631 HA GLN 82 HA GLN 82 16.409 -4.479 -5.406 632 HB2 GLN 82 1HB GLN 82 14.829 -5.733 -3.870 633 HB3 GLN 82 2HB GLN 82 16.234 -6.132 -2.888 634 HG2 GLN 82 1HG GLN 82 15.470 -4.282 -1.798 635 HG3 GLN 82 2HG GLN 82 16.612 -3.544 -2.919 636 HE21 GLN 82 1HE2 GLN 82 13.288 -3.959 -2.070 637 HE22 GLN 82 2HE2 GLN 82 12.644 -2.783 -3.160 638 H LYS 83 H LYS 83 17.957 -3.170 -4.394 639 HA LYS 83 HA LYS 83 20.545 -4.498 -3.987 640 HB2 LYS 83 1HB LYS 83 21.430 -2.115 -4.266 641 HB3 LYS 83 2HB LYS 83 20.764 -2.896 -5.695 642 HG2 LYS 83 1HG LYS 83 18.675 -1.677 -5.400 643 HG3 LYS 83 2HG LYS 83 19.323 -0.907 -3.949 644 HD2 LYS 83 1HD LYS 83 20.884 -0.683 -6.470 645 HD3 LYS 83 2HD LYS 83 19.409 0.275 -6.321 646 HE2 LYS 83 1HE LYS 83 20.977 1.723 -5.461 647 HE3 LYS 83 2HE LYS 83 20.411 0.921 -3.997 648 HZ1 LYS 83 1HZ LYS 83 22.350 -0.227 -3.763 649 HZ2 LYS 83 2HZ LYS 83 22.951 1.170 -4.501 650 HZ3 LYS 83 3HZ LYS 83 22.702 -0.229 -5.417 651 HA PRO 84 HA PRO 84 20.469 -3.586 0.319 652 HB2 PRO 84 1HB PRO 84 23.139 -3.592 0.811 653 HB3 PRO 84 2HB PRO 84 22.214 -5.068 0.512 654 HG2 PRO 84 1HG PRO 84 23.930 -3.493 -1.369 655 HG3 PRO 84 2HG PRO 84 23.823 -5.251 -1.158 656 HD2 PRO 84 1HD PRO 84 22.576 -3.946 -3.178 657 HD3 PRO 84 2HD PRO 84 21.907 -5.412 -2.432 658 H VAL 85 H VAL 85 19.658 -1.455 0.291 659 HA VAL 85 HA VAL 85 21.736 0.621 0.524 660 HB VAL 85 HB VAL 85 20.492 0.900 -1.590 661 HG11 VAL 85 1HG1 VAL 85 18.140 1.486 -1.579 662 HG12 VAL 85 2HG1 VAL 85 18.370 -0.100 -0.840 663 HG13 VAL 85 3HG1 VAL 85 18.081 1.313 0.175 664 HG21 VAL 85 1HG2 VAL 85 21.284 2.812 0.047 665 HG22 VAL 85 2HG2 VAL 85 20.387 3.180 -1.426 666 HG23 VAL 85 3HG2 VAL 85 19.553 3.141 0.128 667 H PHE 86 H PHE 86 21.573 1.987 2.230 668 HA PHE 86 HA PHE 86 19.125 2.148 3.772 669 HB2 PHE 86 1HB PHE 86 21.664 0.963 4.902 670 HB3 PHE 86 2HB PHE 86 20.345 1.563 5.903 671 HD1 PHE 86 2HD PHE 86 17.946 0.607 5.016 672 HD2 PHE 86 1HD PHE 86 21.732 -1.304 4.644 673 HE1 PHE 86 2HE PHE 86 16.824 -1.576 4.847 674 HE2 PHE 86 1HE PHE 86 20.615 -3.489 4.473 675 HZ PHE 86 HZ PHE 86 18.159 -3.628 4.576 676 H THR 87 H THR 87 18.863 4.231 4.181 677 HA THR 87 HA THR 87 21.017 5.811 5.285 678 HB THR 87 HB THR 87 19.732 6.773 2.726 679 HG1 THR 87 1HG THR 87 21.996 6.385 1.953 680 HG21 THR 87 1HG2 THR 87 22.248 7.799 4.003 681 HG22 THR 87 2HG2 THR 87 20.663 8.389 4.507 682 HG23 THR 87 3HG2 THR 87 21.191 8.596 2.837 683 H SER 88 H SER 88 20.286 7.474 6.531 684 HA SER 88 HA SER 88 17.534 8.378 6.296 685 HB2 SER 88 1HB SER 88 17.491 6.358 7.795 686 HB3 SER 88 2HB SER 88 18.534 7.236 8.912 687 HG SER 88 HG SER 88 15.894 7.883 8.117 688 H GLY 89 H GLY 89 17.153 10.386 7.244 689 HA2 GLY 89 1HA GLY 89 17.728 12.259 8.581 690 HA3 GLY 89 2HA GLY 89 19.376 11.658 8.671 691 HA PRO 90 HA PRO 90 18.587 14.810 5.109 692 HB2 PRO 90 1HB PRO 90 18.969 17.176 6.384 693 HB3 PRO 90 2HB PRO 90 17.376 16.436 6.188 694 HG2 PRO 90 1HG PRO 90 19.199 16.404 8.562 695 HG3 PRO 90 2HG PRO 90 17.444 16.644 8.503 696 HD2 PRO 90 1HD PRO 90 18.566 14.273 9.171 697 HD3 PRO 90 2HD PRO 90 17.014 14.387 8.320 698 H SER 91 H SER 91 20.296 15.723 3.993 699 HA SER 91 HA SER 91 22.890 15.798 5.384 700 HB2 SER 91 1HB SER 91 22.174 14.497 2.771 701 HB3 SER 91 2HB SER 91 23.818 15.064 3.065 702 HG SER 91 HG SER 91 23.356 13.773 5.184 703 H SER 92 H SER 92 21.047 17.957 4.819 704 HA SER 92 HA SER 92 22.504 19.467 2.760 705 HB2 SER 92 1HB SER 92 20.582 20.957 2.681 706 HB3 SER 92 2HB SER 92 20.039 19.291 2.491 707 HG SER 92 HG SER 92 19.633 21.072 4.587 708 H GLY 93 H GLY 93 22.877 21.788 3.206 709 HA2 GLY 93 1HA GLY 93 23.373 23.578 4.632 710 HA3 GLY 93 2HA GLY 93 23.004 22.552 6.011 Start of MODEL 2 1 H1 GLY 1 H GLY 1 17.872 18.112 -4.204 2 HA2 GLY 1 1HA GLY 1 15.627 17.996 -3.712 3 HA3 GLY 1 2HA GLY 1 15.351 19.188 -4.972 4 H SER 2 H SER 2 14.708 16.090 -4.038 5 HA SER 2 HA SER 2 14.339 15.167 -6.811 6 HB2 SER 2 1HB SER 2 15.783 13.710 -5.453 7 HB3 SER 2 2HB SER 2 14.494 13.537 -4.263 8 HG SER 2 HG SER 2 14.654 11.801 -5.835 9 H SER 3 H SER 3 12.376 14.136 -7.381 10 HA SER 3 HA SER 3 10.062 15.389 -6.402 11 HB2 SER 3 1HB SER 3 10.347 12.877 -8.067 12 HB3 SER 3 2HB SER 3 8.832 13.741 -7.806 13 HG SER 3 HG SER 3 9.813 15.569 -8.796 14 H GLY 4 H GLY 4 11.140 12.006 -6.038 15 HA2 GLY 4 1HA GLY 4 10.882 10.590 -4.224 16 HA3 GLY 4 2HA GLY 4 10.094 11.900 -3.357 17 H SER 5 H SER 5 7.992 12.471 -5.069 18 HA SER 5 HA SER 5 6.257 10.228 -4.497 19 HB2 SER 5 1HB SER 5 4.450 11.697 -4.911 20 HB3 SER 5 2HB SER 5 5.676 12.699 -4.135 21 HG SER 5 HG SER 5 4.827 12.663 -6.807 22 H SER 6 H SER 6 5.518 8.775 -5.912 23 HA SER 6 HA SER 6 6.424 8.970 -8.679 24 HB2 SER 6 1HB SER 6 5.099 6.657 -7.243 25 HB3 SER 6 2HB SER 6 5.838 6.603 -8.843 26 HG SER 6 HG SER 6 7.779 7.427 -7.568 27 H GLY 7 H GLY 7 5.100 10.067 -9.984 28 HA2 GLY 7 1HA GLY 7 2.196 9.576 -9.731 29 HA3 GLY 7 2HA GLY 7 2.890 11.090 -10.295 30 H MET 8 H MET 8 0.944 9.375 -11.617 31 HA MET 8 HA MET 8 2.494 8.523 -13.969 32 HB2 MET 8 1HB MET 8 -0.256 7.694 -13.031 33 HB3 MET 8 2HB MET 8 0.453 7.204 -14.564 34 HG2 MET 8 1HG MET 8 0.972 5.394 -13.296 35 HG3 MET 8 2HG MET 8 2.408 6.377 -13.017 36 HE1 MET 8 1HE MET 8 2.663 5.266 -9.675 37 HE2 MET 8 2HE MET 8 1.575 4.064 -10.370 38 HE3 MET 8 3HE MET 8 2.856 4.771 -11.356 39 HA PRO 9 HA PRO 9 0.797 11.871 -16.274 40 HB2 PRO 9 1HB PRO 9 1.087 10.854 -18.774 41 HB3 PRO 9 2HB PRO 9 2.448 11.446 -17.815 42 HG2 PRO 9 1HG PRO 9 1.510 8.635 -18.240 43 HG3 PRO 9 2HG PRO 9 3.163 9.274 -18.239 44 HD2 PRO 9 1HD PRO 9 2.098 7.986 -16.109 45 HD3 PRO 9 2HD PRO 9 3.289 9.292 -15.938 46 H ASN 10 H ASN 10 -0.416 8.605 -16.689 47 HA ASN 10 HA ASN 10 -2.710 9.354 -18.226 48 HB2 ASN 10 1HB ASN 10 -1.536 7.033 -18.031 49 HB3 ASN 10 2HB ASN 10 -2.554 6.831 -16.608 50 HD21 ASN 10 1HD2 ASN 10 -2.397 5.788 -19.537 51 HD22 ASN 10 2HD2 ASN 10 -4.054 5.798 -20.026 52 H ARG 11 H ARG 11 -4.641 10.049 -17.552 53 HA ARG 11 HA ARG 11 -5.033 10.735 -14.807 54 HB2 ARG 11 1HB ARG 11 -7.056 11.760 -15.506 55 HB3 ARG 11 2HB ARG 11 -5.898 12.025 -16.804 56 HG2 ARG 11 1HG ARG 11 -7.695 9.659 -16.952 57 HG3 ARG 11 2HG ARG 11 -8.350 11.259 -17.310 58 HD2 ARG 11 1HD ARG 11 -6.132 9.787 -18.702 59 HD3 ARG 11 2HD ARG 11 -7.644 10.389 -19.380 60 HE ARG 11 HE ARG 11 -5.210 11.837 -19.081 61 HH11 ARG 11 1HH1 ARG 11 -8.675 12.167 -19.050 62 HH12 ARG 11 2HH1 ARG 11 -8.651 13.834 -19.517 63 HH21 ARG 11 1HH2 ARG 11 -5.164 14.031 -19.698 64 HH22 ARG 11 2HH2 ARG 11 -6.654 14.894 -19.886 65 H LYS 12 H LYS 12 -5.288 7.844 -16.339 66 HA LYS 12 HA LYS 12 -7.723 6.882 -15.143 67 HB2 LYS 12 1HB LYS 12 -6.934 5.967 -17.273 68 HB3 LYS 12 2HB LYS 12 -5.464 5.394 -16.495 69 HG2 LYS 12 1HG LYS 12 -6.689 3.473 -16.518 70 HG3 LYS 12 2HG LYS 12 -7.166 4.124 -14.948 71 HD2 LYS 12 1HD LYS 12 -9.214 4.969 -15.841 72 HD3 LYS 12 2HD LYS 12 -8.709 4.603 -17.493 73 HE2 LYS 12 1HE LYS 12 -8.768 2.229 -17.014 74 HE3 LYS 12 2HE LYS 12 -9.162 2.552 -15.327 75 HZ1 LYS 12 1HZ LYS 12 -10.974 2.069 -17.242 76 HZ2 LYS 12 2HZ LYS 12 -10.959 3.761 -17.240 77 HZ3 LYS 12 3HZ LYS 12 -11.303 2.917 -15.816 78 H ALA 13 H ALA 13 -7.971 6.001 -13.191 79 HA ALA 13 HA ALA 13 -5.892 6.036 -11.280 80 HB1 ALA 13 1HB ALA 13 -7.911 4.333 -10.326 81 HB2 ALA 13 2HB ALA 13 -7.681 6.045 -9.967 82 HB3 ALA 13 3HB ALA 13 -8.717 5.557 -11.308 83 H SER 14 H SER 14 -4.690 4.407 -10.360 84 HA SER 14 HA SER 14 -5.007 1.676 -11.312 85 HB2 SER 14 1HB SER 14 -2.554 1.551 -11.893 86 HB3 SER 14 2HB SER 14 -3.525 2.523 -12.999 87 HG SER 14 HG SER 14 -1.373 3.306 -11.875 88 H ARG 15 H ARG 15 -3.510 0.170 -10.163 89 HA ARG 15 HA ARG 15 -3.738 0.354 -7.432 90 HB2 ARG 15 1HB ARG 15 -1.807 -1.177 -9.159 91 HB3 ARG 15 2HB ARG 15 -1.786 -1.322 -7.407 92 HG2 ARG 15 1HG ARG 15 -3.990 -2.212 -7.371 93 HG3 ARG 15 2HG ARG 15 -4.231 -1.833 -9.078 94 HD2 ARG 15 1HD ARG 15 -2.146 -3.375 -9.409 95 HD3 ARG 15 2HD ARG 15 -2.599 -3.995 -7.822 96 HE ARG 15 HE ARG 15 -4.244 -5.167 -8.862 97 HH11 ARG 15 1HH1 ARG 15 -3.529 -2.357 -10.788 98 HH12 ARG 15 2HH1 ARG 15 -4.656 -2.766 -12.038 99 HH21 ARG 15 1HH2 ARG 15 -5.731 -5.717 -10.501 100 HH22 ARG 15 2HH2 ARG 15 -5.909 -4.677 -11.874 101 H ASN 16 H ASN 16 -2.227 0.745 -5.736 102 HA ASN 16 HA ASN 16 0.295 1.992 -6.257 103 HB2 ASN 16 1HB ASN 16 -1.573 3.778 -6.647 104 HB3 ASN 16 2HB ASN 16 -1.665 3.805 -4.889 105 HD21 ASN 16 1HD2 ASN 16 0.340 4.441 -7.665 106 HD22 ASN 16 2HD2 ASN 16 1.495 5.435 -6.851 107 H ALA 17 H ALA 17 1.259 2.855 -4.157 108 HA ALA 17 HA ALA 17 1.640 0.997 -2.288 109 HB1 ALA 17 1HB ALA 17 2.444 3.514 -2.461 110 HB2 ALA 17 2HB ALA 17 1.256 3.722 -1.173 111 HB3 ALA 17 3HB ALA 17 2.591 2.589 -0.966 112 H TYR 18 H TYR 18 -1.063 3.298 -2.206 113 HA TYR 18 HA TYR 18 -2.186 2.534 0.221 114 HB2 TYR 18 1HB TYR 18 -2.879 4.522 -1.087 115 HB3 TYR 18 2HB TYR 18 -3.657 3.460 -2.257 116 HD1 TYR 18 2HD TYR 18 -3.642 3.799 1.473 117 HD2 TYR 18 1HD TYR 18 -5.948 3.416 -2.081 118 HE1 TYR 18 2HE TYR 18 -5.705 3.845 2.813 119 HE2 TYR 18 1HE TYR 18 -8.017 3.464 -0.753 120 HH TYR 18 HH TYR 18 -8.880 3.400 1.314 121 H TYR 19 H TYR 19 -3.185 1.460 -3.033 122 HA TYR 19 HA TYR 19 -5.073 -0.389 -2.402 123 HB2 TYR 19 1HB TYR 19 -4.525 0.115 -4.704 124 HB3 TYR 19 2HB TYR 19 -2.929 -0.605 -4.524 125 HD1 TYR 19 2HD TYR 19 -6.538 -1.326 -4.745 126 HD2 TYR 19 1HD TYR 19 -2.615 -2.970 -4.682 127 HE1 TYR 19 2HE TYR 19 -7.440 -3.493 -5.478 128 HE2 TYR 19 1HE TYR 19 -3.506 -5.141 -5.417 129 HH TYR 19 HH TYR 19 -6.499 -5.548 -6.733 130 H PHE 20 H PHE 20 -1.566 -0.885 -2.357 131 HA PHE 20 HA PHE 20 -1.622 -3.624 -1.703 132 HB2 PHE 20 1HB PHE 20 0.428 -1.451 -1.491 133 HB3 PHE 20 2HB PHE 20 0.734 -3.002 -0.716 134 HD1 PHE 20 2HD PHE 20 -0.559 -1.779 -4.000 135 HD2 PHE 20 1HD PHE 20 1.997 -4.474 -1.922 136 HE1 PHE 20 2HE PHE 20 0.216 -2.694 -6.148 137 HE2 PHE 20 1HE PHE 20 2.777 -5.394 -4.067 138 HZ PHE 20 HZ PHE 20 1.885 -4.505 -6.183 139 H PHE 21 H PHE 21 -1.538 -0.711 0.297 140 HA PHE 21 HA PHE 21 -1.210 -1.994 2.780 141 HB2 PHE 21 1HB PHE 21 -0.790 0.316 2.778 142 HB3 PHE 21 2HB PHE 21 -2.305 0.683 1.960 143 HD1 PHE 21 1HD PHE 21 -0.922 -0.588 5.163 144 HD2 PHE 21 2HD PHE 21 -4.182 1.301 3.182 145 HE1 PHE 21 1HE PHE 21 -1.981 -0.141 7.338 146 HE2 PHE 21 2HE PHE 21 -5.246 1.752 5.354 147 HZ PHE 21 HZ PHE 21 -4.144 1.032 7.436 148 H VAL 22 H VAL 22 -4.085 -1.125 0.926 149 HA VAL 22 HA VAL 22 -5.944 -1.906 2.946 150 HB VAL 22 HB VAL 22 -6.267 -1.402 -0.009 151 HG11 VAL 22 1HG1 VAL 22 -8.787 -1.284 0.910 152 HG12 VAL 22 2HG1 VAL 22 -8.082 -2.736 0.198 153 HG13 VAL 22 3HG1 VAL 22 -8.151 -2.557 1.951 154 HG21 VAL 22 1HG2 VAL 22 -7.082 0.157 2.442 155 HG22 VAL 22 2HG2 VAL 22 -5.798 0.575 1.308 156 HG23 VAL 22 3HG2 VAL 22 -7.480 0.597 0.782 157 H GLN 23 H GLN 23 -4.409 -3.513 0.232 158 HA GLN 23 HA GLN 23 -6.058 -5.798 0.149 159 HB2 GLN 23 1HB GLN 23 -4.257 -4.962 -1.529 160 HB3 GLN 23 2HB GLN 23 -3.136 -5.880 -0.534 161 HG2 GLN 23 1HG GLN 23 -4.480 -7.900 -0.917 162 HG3 GLN 23 2HG GLN 23 -5.554 -6.968 -1.959 163 HE21 GLN 23 1HE2 GLN 23 -3.117 -9.096 -2.009 164 HE22 GLN 23 2HE2 GLN 23 -2.379 -8.695 -3.518 165 H GLU 24 H GLU 24 -3.292 -4.936 2.116 166 HA GLU 24 HA GLU 24 -3.076 -7.596 3.247 167 HB2 GLU 24 1HB GLU 24 -1.641 -5.016 3.890 168 HB3 GLU 24 2HB GLU 24 -1.303 -6.557 4.665 169 HG2 GLU 24 1HG GLU 24 -0.266 -7.418 2.830 170 HG3 GLU 24 2HG GLU 24 -1.206 -6.441 1.703 171 H LYS 25 H LYS 25 -5.303 -5.337 3.618 172 HA LYS 25 HA LYS 25 -5.587 -5.801 6.515 173 HB2 LYS 25 1HB LYS 25 -6.298 -3.384 4.860 174 HB3 LYS 25 2HB LYS 25 -6.979 -3.657 6.458 175 HG2 LYS 25 1HG LYS 25 -4.019 -3.704 6.079 176 HG3 LYS 25 2HG LYS 25 -4.877 -2.164 6.182 177 HD2 LYS 25 1HD LYS 25 -5.937 -3.145 8.315 178 HD3 LYS 25 2HD LYS 25 -4.629 -4.330 8.246 179 HE2 LYS 25 1HE LYS 25 -3.644 -2.739 9.556 180 HE3 LYS 25 2HE LYS 25 -3.151 -2.161 7.965 181 HZ1 LYS 25 1HZ LYS 25 -5.448 -1.160 9.558 182 HZ2 LYS 25 2HZ LYS 25 -5.049 -0.636 8.000 183 HZ3 LYS 25 3HZ LYS 25 -3.990 -0.348 9.287 184 H ILE 26 H ILE 26 -6.899 -6.268 3.432 185 HA ILE 26 HA ILE 26 -9.630 -6.212 3.768 186 HB ILE 26 HB ILE 26 -7.802 -7.815 2.071 187 HG12 ILE 26 1HG1 ILE 26 -10.338 -6.334 1.370 188 HG13 ILE 26 2HG1 ILE 26 -8.778 -5.532 1.529 189 HG21 ILE 26 1HG2 ILE 26 -10.674 -8.565 2.563 190 HG22 ILE 26 2HG2 ILE 26 -9.772 -9.061 1.132 191 HG23 ILE 26 3HG2 ILE 26 -9.245 -9.583 2.733 192 HD11 ILE 26 1HD1 ILE 26 -7.912 -7.101 -0.224 193 HD12 ILE 26 2HD1 ILE 26 -9.579 -7.621 -0.473 194 HD13 ILE 26 3HD1 ILE 26 -9.125 -5.944 -0.771 195 HA PRO 27 HA PRO 27 -9.561 -10.734 5.469 196 HB2 PRO 27 1HB PRO 27 -7.147 -11.772 6.150 197 HB3 PRO 27 2HB PRO 27 -7.839 -11.931 4.531 198 HG2 PRO 27 1HG PRO 27 -5.779 -10.001 5.530 199 HG3 PRO 27 2HG PRO 27 -5.815 -10.912 4.008 200 HD2 PRO 27 1HD PRO 27 -6.529 -8.304 4.163 201 HD3 PRO 27 2HD PRO 27 -7.273 -9.431 3.012 202 H GLU 28 H GLU 28 -7.411 -8.289 6.697 203 HA GLU 28 HA GLU 28 -7.357 -9.195 9.399 204 HB2 GLU 28 1HB GLU 28 -5.614 -7.727 8.568 205 HB3 GLU 28 2HB GLU 28 -6.796 -6.479 8.198 206 HG2 GLU 28 1HG GLU 28 -5.585 -5.952 10.227 207 HG3 GLU 28 2HG GLU 28 -7.291 -6.229 10.571 208 H LEU 29 H LEU 29 -9.409 -7.011 7.561 209 HA LEU 29 HA LEU 29 -10.861 -6.098 9.869 210 HB2 LEU 29 1HB LEU 29 -11.361 -5.821 6.913 211 HB3 LEU 29 2HB LEU 29 -12.389 -5.103 8.151 212 HG LEU 29 HG LEU 29 -9.464 -4.460 7.799 213 HD11 LEU 29 1HD1 LEU 29 -10.335 -3.561 5.874 214 HD12 LEU 29 2HD1 LEU 29 -10.571 -2.230 7.006 215 HD13 LEU 29 3HD1 LEU 29 -11.922 -3.283 6.591 216 HD21 LEU 29 1HD2 LEU 29 -10.524 -4.135 10.059 217 HD22 LEU 29 2HD2 LEU 29 -11.590 -2.951 9.302 218 HD23 LEU 29 3HD2 LEU 29 -9.847 -2.682 9.321 219 H ARG 30 H ARG 30 -11.349 -8.468 7.304 220 HA ARG 30 HA ARG 30 -13.990 -9.131 7.642 221 HB2 ARG 30 1HB ARG 30 -11.589 -10.808 6.964 222 HB3 ARG 30 2HB ARG 30 -13.195 -11.519 7.057 223 HG2 ARG 30 1HG ARG 30 -13.932 -9.777 5.388 224 HG3 ARG 30 2HG ARG 30 -12.222 -9.391 5.175 225 HD2 ARG 30 1HD ARG 30 -12.500 -10.929 3.504 226 HD3 ARG 30 2HD ARG 30 -12.022 -11.992 4.826 227 HE ARG 30 HE ARG 30 -14.821 -11.736 4.807 228 HH11 ARG 30 1HH1 ARG 30 -12.235 -13.157 2.960 229 HH12 ARG 30 2HH1 ARG 30 -13.213 -14.443 2.335 230 HH21 ARG 30 1HH2 ARG 30 -16.119 -13.424 3.989 231 HH22 ARG 30 2HH2 ARG 30 -15.423 -14.593 2.920 232 H ARG 31 H ARG 31 -11.217 -10.338 9.500 233 HA ARG 31 HA ARG 31 -12.640 -12.124 11.133 234 HB2 ARG 31 1HB ARG 31 -10.111 -10.590 11.767 235 HB3 ARG 31 2HB ARG 31 -10.698 -11.999 12.640 236 HG2 ARG 31 1HG ARG 31 -10.203 -12.188 9.706 237 HG3 ARG 31 2HG ARG 31 -8.846 -12.251 10.832 238 HD2 ARG 31 1HD ARG 31 -10.254 -14.041 12.057 239 HD3 ARG 31 2HD ARG 31 -11.155 -14.138 10.545 240 HE ARG 31 HE ARG 31 -8.353 -14.351 10.104 241 HH11 ARG 31 1HH1 ARG 31 -11.143 -16.130 11.185 242 HH12 ARG 31 2HH1 ARG 31 -10.496 -17.673 10.735 243 HH21 ARG 31 1HH2 ARG 31 -7.491 -16.376 9.506 244 HH22 ARG 31 2HH2 ARG 31 -8.418 -17.811 9.781 245 H ARG 32 H ARG 32 -11.930 -8.684 11.483 246 HA ARG 32 HA ARG 32 -12.802 -8.334 14.114 247 HB2 ARG 32 1HB ARG 32 -12.572 -6.529 11.736 248 HB3 ARG 32 2HB ARG 32 -13.369 -5.944 13.191 249 HG2 ARG 32 1HG ARG 32 -11.168 -6.875 14.329 250 HG3 ARG 32 2HG ARG 32 -10.516 -6.587 12.713 251 HD2 ARG 32 1HD ARG 32 -10.158 -4.622 14.036 252 HD3 ARG 32 2HD ARG 32 -11.401 -4.267 12.836 253 HE ARG 32 HE ARG 32 -12.834 -3.840 14.551 254 HH11 ARG 32 1HH1 ARG 32 -10.284 -5.894 15.735 255 HH12 ARG 32 2HH1 ARG 32 -10.841 -5.860 17.375 256 HH21 ARG 32 1HH2 ARG 32 -13.577 -3.789 16.708 257 HH22 ARG 32 2HH2 ARG 32 -12.715 -4.665 17.927 258 H GLY 33 H GLY 33 -14.594 -8.274 11.062 259 HA2 GLY 33 1HA GLY 33 -16.875 -9.241 11.208 260 HA3 GLY 33 2HA GLY 33 -17.091 -8.253 12.645 261 H LEU 34 H LEU 34 -15.745 -7.499 9.439 262 HA LEU 34 HA LEU 34 -17.881 -5.502 9.108 263 HB2 LEU 34 1HB LEU 34 -14.945 -5.158 8.523 264 HB3 LEU 34 2HB LEU 34 -16.201 -4.026 8.025 265 HG LEU 34 HG LEU 34 -15.698 -4.709 10.911 266 HD11 LEU 34 1HD1 LEU 34 -13.671 -3.766 10.522 267 HD12 LEU 34 2HD1 LEU 34 -14.613 -2.289 10.713 268 HD13 LEU 34 3HD1 LEU 34 -14.225 -2.885 9.099 269 HD21 LEU 34 1HD2 LEU 34 -16.963 -2.289 9.635 270 HD22 LEU 34 2HD2 LEU 34 -16.909 -2.692 11.352 271 HD23 LEU 34 3HD2 LEU 34 -17.867 -3.676 10.244 272 HA PRO 35 HA PRO 35 -18.499 -7.362 5.167 273 HB2 PRO 35 1HB PRO 35 -19.737 -5.300 3.907 274 HB3 PRO 35 2HB PRO 35 -20.528 -6.284 5.143 275 HG2 PRO 35 1HG PRO 35 -19.248 -3.590 5.399 276 HG3 PRO 35 2HG PRO 35 -20.775 -4.172 6.087 277 HD2 PRO 35 1HD PRO 35 -18.492 -4.016 7.534 278 HD3 PRO 35 2HD PRO 35 -19.723 -5.262 7.824 279 H VAL 36 H VAL 36 -16.160 -7.397 4.735 280 HA VAL 36 HA VAL 36 -15.435 -5.426 2.669 281 HB VAL 36 HB VAL 36 -13.012 -5.908 3.421 282 HG11 VAL 36 1HG1 VAL 36 -13.889 -3.725 3.653 283 HG12 VAL 36 2HG1 VAL 36 -14.951 -4.212 4.975 284 HG13 VAL 36 3HG1 VAL 36 -13.205 -4.145 5.224 285 HG21 VAL 36 1HG2 VAL 36 -12.603 -6.740 5.533 286 HG22 VAL 36 2HG2 VAL 36 -14.229 -6.373 6.110 287 HG23 VAL 36 3HG2 VAL 36 -13.966 -7.737 5.023 288 H ALA 37 H ALA 37 -16.009 -6.773 0.975 289 HA ALA 37 HA ALA 37 -14.944 -9.462 0.822 290 HB1 ALA 37 1HB ALA 37 -16.744 -7.818 -0.917 291 HB2 ALA 37 2HB ALA 37 -16.042 -9.324 -1.508 292 HB3 ALA 37 3HB ALA 37 -17.081 -9.335 -0.083 293 H ARG 38 H ARG 38 -14.355 -6.312 -0.636 294 HA ARG 38 HA ARG 38 -11.830 -7.351 -1.706 295 HB2 ARG 38 1HB ARG 38 -12.128 -6.161 -3.798 296 HB3 ARG 38 2HB ARG 38 -13.470 -7.272 -3.554 297 HG2 ARG 38 1HG ARG 38 -14.726 -5.260 -2.604 298 HG3 ARG 38 2HG ARG 38 -13.449 -4.285 -3.335 299 HD2 ARG 38 1HD ARG 38 -15.014 -6.327 -4.890 300 HD3 ARG 38 2HD ARG 38 -15.553 -4.657 -4.717 301 HE ARG 38 HE ARG 38 -12.930 -4.570 -5.611 302 HH11 ARG 38 1HH1 ARG 38 -16.007 -5.746 -6.740 303 HH12 ARG 38 2HH1 ARG 38 -15.625 -5.522 -8.415 304 HH21 ARG 38 1HH2 ARG 38 -12.415 -4.271 -7.813 305 HH22 ARG 38 2HH2 ARG 38 -13.582 -4.684 -9.024 306 H VAL 39 H VAL 39 -10.643 -5.235 -2.708 307 HA VAL 39 HA VAL 39 -9.893 -3.695 -0.485 308 HB VAL 39 HB VAL 39 -9.400 -3.365 -3.433 309 HG11 VAL 39 1HG1 VAL 39 -7.617 -1.668 -2.515 310 HG12 VAL 39 2HG1 VAL 39 -9.262 -1.143 -2.878 311 HG13 VAL 39 3HG1 VAL 39 -8.789 -1.476 -1.212 312 HG21 VAL 39 1HG2 VAL 39 -7.002 -3.709 -2.473 313 HG22 VAL 39 2HG2 VAL 39 -7.857 -4.356 -1.072 314 HG23 VAL 39 3HG2 VAL 39 -8.078 -5.094 -2.659 315 H ALA 40 H ALA 40 -11.833 -2.808 -3.338 316 HA ALA 40 HA ALA 40 -12.357 -0.177 -2.809 317 HB1 ALA 40 1HB ALA 40 -14.103 -2.301 -4.017 318 HB2 ALA 40 2HB ALA 40 -14.608 -0.614 -3.918 319 HB3 ALA 40 3HB ALA 40 -13.164 -1.051 -4.833 320 H ASP 41 H ASP 41 -13.447 -2.928 -1.042 321 HA ASP 41 HA ASP 41 -15.563 -1.477 0.318 322 HB2 ASP 41 1HB ASP 41 -14.527 -4.298 0.464 323 HB3 ASP 41 2HB ASP 41 -15.644 -3.674 1.674 324 H ALA 42 H ALA 42 -12.318 -2.683 0.968 325 HA ALA 42 HA ALA 42 -12.397 -1.758 3.718 326 HB1 ALA 42 1HB ALA 42 -10.523 -3.356 2.067 327 HB2 ALA 42 2HB ALA 42 -9.851 -2.465 3.434 328 HB3 ALA 42 3HB ALA 42 -11.133 -3.647 3.697 329 H ILE 43 H ILE 43 -12.171 -0.175 0.926 330 HA ILE 43 HA ILE 43 -9.857 1.396 1.097 331 HB ILE 43 HB ILE 43 -12.474 1.663 -0.273 332 HG12 ILE 43 1HG1 ILE 43 -9.582 1.918 -1.126 333 HG13 ILE 43 2HG1 ILE 43 -10.624 0.518 -1.362 334 HG21 ILE 43 1HG2 ILE 43 -10.709 3.970 0.425 335 HG22 ILE 43 2HG2 ILE 43 -11.584 3.958 -1.106 336 HG23 ILE 43 3HG2 ILE 43 -12.470 3.867 0.415 337 HD11 ILE 43 1HD1 ILE 43 -10.329 2.901 -2.966 338 HD12 ILE 43 2HD1 ILE 43 -11.066 1.350 -3.366 339 HD13 ILE 43 3HD1 ILE 43 -12.013 2.591 -2.547 340 HA PRO 44 HA PRO 44 -12.511 4.662 3.474 341 HB2 PRO 44 1HB PRO 44 -14.936 3.861 4.394 342 HB3 PRO 44 2HB PRO 44 -14.705 4.578 2.796 343 HG2 PRO 44 1HG PRO 44 -14.967 1.695 3.558 344 HG3 PRO 44 2HG PRO 44 -15.699 2.563 2.196 345 HD2 PRO 44 1HD PRO 44 -13.504 1.002 1.919 346 HD3 PRO 44 2HD PRO 44 -13.776 2.451 0.928 347 H TYR 45 H TYR 45 -13.356 1.391 4.623 348 HA TYR 45 HA TYR 45 -13.243 1.887 7.349 349 HB2 TYR 45 1HB TYR 45 -12.477 -0.660 5.908 350 HB3 TYR 45 2HB TYR 45 -12.875 -0.530 7.617 351 HD1 TYR 45 2HD TYR 45 -15.244 0.991 7.810 352 HD2 TYR 45 1HD TYR 45 -14.139 -1.737 4.736 353 HE1 TYR 45 2HE TYR 45 -17.620 0.626 7.287 354 HE2 TYR 45 1HE TYR 45 -16.512 -2.107 4.205 355 HH TYR 45 HH TYR 45 -18.886 -0.199 4.961 356 H CYS 46 H CYS 46 -10.717 1.886 5.079 357 HA CYS 46 HA CYS 46 -8.743 1.951 7.259 358 HB2 CYS 46 1HB CYS 46 -8.502 0.589 4.577 359 HB3 CYS 46 2HB CYS 46 -7.106 0.969 5.579 360 HG CYS 46 HG CYS 46 -7.191 -1.238 6.867 361 H SER 47 H SER 47 -10.168 4.119 5.963 362 HA SER 47 HA SER 47 -8.282 5.378 4.168 363 HB2 SER 47 1HB SER 47 -9.906 7.288 4.252 364 HB3 SER 47 2HB SER 47 -10.627 5.761 3.745 365 HG SER 47 HG SER 47 -12.004 6.276 5.271 366 H SER 48 H SER 48 -9.487 5.922 7.462 367 HA SER 48 HA SER 48 -7.791 8.166 7.945 368 HB2 SER 48 1HB SER 48 -8.648 8.147 10.158 369 HB3 SER 48 2HB SER 48 -9.983 7.615 9.136 370 HG SER 48 HG SER 48 -9.431 5.456 9.704 371 H ASP 49 H ASP 49 -7.556 4.711 8.494 372 HA ASP 49 HA ASP 49 -5.355 4.707 10.238 373 HB2 ASP 49 1HB ASP 49 -6.954 2.775 9.413 374 HB3 ASP 49 2HB ASP 49 -5.685 2.530 8.216 375 H TRP 50 H TRP 50 -5.567 4.825 6.726 376 HA TRP 50 HA TRP 50 -2.822 4.416 6.198 377 HB2 TRP 50 1HB TRP 50 -4.386 4.117 4.412 378 HB3 TRP 50 2HB TRP 50 -5.008 5.755 4.602 379 HD1 TRP 50 HD TRP 50 -3.825 7.649 3.268 380 HE1 TRP 50 1HE TRP 50 -1.850 7.720 1.618 381 HE3 TRP 50 3HE TRP 50 -2.022 2.914 3.953 382 HZ2 TRP 50 2HZ TRP 50 0.200 5.998 0.725 383 HZ3 TRP 50 3HZ TRP 50 -0.051 2.204 2.663 384 HH2 TRP 50 HH TRP 50 1.035 3.715 1.082 385 H ALA 51 H ALA 51 -4.746 7.316 6.785 386 HA ALA 51 HA ALA 51 -2.749 9.206 6.162 387 HB1 ALA 51 1HB ALA 51 -4.533 10.503 6.402 388 HB2 ALA 51 2HB ALA 51 -5.407 9.227 7.251 389 HB3 ALA 51 3HB ALA 51 -4.367 10.333 8.149 390 H LEU 52 H LEU 52 -3.028 7.032 8.748 391 HA LEU 52 HA LEU 52 -1.518 8.641 10.632 392 HB2 LEU 52 1HB LEU 52 -2.508 5.798 10.735 393 HB3 LEU 52 2HB LEU 52 -1.620 6.584 12.039 394 HG LEU 52 HG LEU 52 -4.279 7.551 10.999 395 HD11 LEU 52 1HD1 LEU 52 -5.338 6.054 12.247 396 HD12 LEU 52 2HD1 LEU 52 -4.325 6.414 13.645 397 HD13 LEU 52 3HD1 LEU 52 -3.796 5.224 12.455 398 HD21 LEU 52 1HD2 LEU 52 -2.751 9.176 12.158 399 HD22 LEU 52 2HD2 LEU 52 -2.883 8.163 13.596 400 HD23 LEU 52 3HD2 LEU 52 -4.320 8.938 12.929 401 H LEU 53 H LEU 53 -0.938 6.266 8.200 402 HA LEU 53 HA LEU 53 1.429 5.098 9.041 403 HB2 LEU 53 1HB LEU 53 0.236 5.718 6.389 404 HB3 LEU 53 2HB LEU 53 1.921 5.203 6.443 405 HG LEU 53 HG LEU 53 -0.108 3.536 7.846 406 HD11 LEU 53 1HD1 LEU 53 0.365 3.182 4.910 407 HD12 LEU 53 2HD1 LEU 53 -0.949 4.195 5.507 408 HD13 LEU 53 3HD1 LEU 53 -0.894 2.484 5.929 409 HD21 LEU 53 1HD2 LEU 53 2.158 2.864 8.074 410 HD22 LEU 53 2HD2 LEU 53 2.455 3.045 6.344 411 HD23 LEU 53 3HD2 LEU 53 1.407 1.752 6.929 412 H ARG 54 H ARG 54 3.644 5.519 8.316 413 HA ARG 54 HA ARG 54 4.239 8.382 8.472 414 HB2 ARG 54 1HB ARG 54 6.267 6.170 8.679 415 HB3 ARG 54 2HB ARG 54 6.358 7.807 9.317 416 HG2 ARG 54 1HG ARG 54 4.211 6.033 10.340 417 HG3 ARG 54 2HG ARG 54 5.868 5.732 10.867 418 HD2 ARG 54 1HD ARG 54 6.011 7.709 12.006 419 HD3 ARG 54 2HD ARG 54 4.857 8.525 10.952 420 HE ARG 54 HE ARG 54 3.707 6.449 12.585 421 HH11 ARG 54 1HH1 ARG 54 4.556 9.819 12.381 422 HH12 ARG 54 2HH1 ARG 54 3.406 10.315 13.579 423 HH21 ARG 54 1HH2 ARG 54 2.190 7.090 14.163 424 HH22 ARG 54 2HH2 ARG 54 2.062 8.763 14.592 425 H GLU 55 H GLU 55 5.702 9.383 7.047 426 HA GLU 55 HA GLU 55 5.413 8.992 4.382 427 HB2 GLU 55 1HB GLU 55 6.704 10.831 5.736 428 HB3 GLU 55 2HB GLU 55 8.109 9.840 5.370 429 HG2 GLU 55 1HG GLU 55 6.248 10.718 3.202 430 HG3 GLU 55 2HG GLU 55 7.516 11.786 3.801 431 H GLU 56 H GLU 56 7.980 7.583 6.394 432 HA GLU 56 HA GLU 56 9.415 6.276 4.412 433 HB2 GLU 56 1HB GLU 56 10.071 4.672 6.240 434 HB3 GLU 56 2HB GLU 56 10.321 6.373 6.611 435 HG2 GLU 56 1HG GLU 56 8.069 6.290 7.782 436 HG3 GLU 56 2HG GLU 56 8.190 4.536 7.646 437 H GLU 57 H GLU 57 6.637 5.098 6.289 438 HA GLU 57 HA GLU 57 6.524 2.528 5.179 439 HB2 GLU 57 1HB GLU 57 4.136 4.122 6.107 440 HB3 GLU 57 2HB GLU 57 4.321 2.374 6.095 441 HG2 GLU 57 1HG GLU 57 5.857 4.300 7.824 442 HG3 GLU 57 2HG GLU 57 4.518 3.278 8.343 443 H LYS 58 H LYS 58 4.652 5.438 4.319 444 HA LYS 58 HA LYS 58 3.195 4.431 2.212 445 HB2 LYS 58 1HB LYS 58 4.422 7.185 2.436 446 HB3 LYS 58 2HB LYS 58 3.117 6.742 1.344 447 HG2 LYS 58 1HG LYS 58 1.863 6.029 3.475 448 HG3 LYS 58 2HG LYS 58 3.073 6.995 4.325 449 HD2 LYS 58 1HD LYS 58 2.370 8.977 3.321 450 HD3 LYS 58 2HD LYS 58 1.551 8.132 2.005 451 HE2 LYS 58 1HE LYS 58 -0.199 7.415 3.465 452 HE3 LYS 58 2HE LYS 58 0.674 7.989 4.884 453 HZ1 LYS 58 1HZ LYS 58 0.086 9.958 2.820 454 HZ2 LYS 58 2HZ LYS 58 0.081 10.121 4.503 455 HZ3 LYS 58 3HZ LYS 58 -1.230 9.392 3.720 456 H GLU 59 H GLU 59 6.463 5.824 2.113 457 HA GLU 59 HA GLU 59 6.863 5.617 -0.648 458 HB2 GLU 59 1HB GLU 59 8.291 6.818 1.124 459 HB3 GLU 59 2HB GLU 59 9.065 5.259 1.370 460 HG2 GLU 59 1HG GLU 59 8.872 6.327 -1.395 461 HG3 GLU 59 2HG GLU 59 10.051 7.034 -0.293 462 H LYS 60 H LYS 60 7.707 3.351 1.958 463 HA LYS 60 HA LYS 60 8.956 1.390 0.462 464 HB2 LYS 60 1HB LYS 60 9.041 1.130 2.793 465 HB3 LYS 60 2HB LYS 60 7.297 1.279 2.964 466 HG2 LYS 60 1HG LYS 60 7.079 -0.910 1.775 467 HG3 LYS 60 2HG LYS 60 8.836 -1.062 1.871 468 HD2 LYS 60 1HD LYS 60 8.582 -0.739 4.375 469 HD3 LYS 60 2HD LYS 60 6.848 -0.967 4.130 470 HE2 LYS 60 1HE LYS 60 7.083 -3.182 3.578 471 HE3 LYS 60 2HE LYS 60 8.730 -2.974 2.989 472 HZ1 LYS 60 1HZ LYS 60 9.082 -4.069 4.950 473 HZ2 LYS 60 2HZ LYS 60 7.777 -3.340 5.740 474 HZ3 LYS 60 3HZ LYS 60 9.201 -2.466 5.480 475 H TYR 61 H TYR 61 5.499 1.554 1.317 476 HA TYR 61 HA TYR 61 4.667 -0.691 -0.103 477 HB2 TYR 61 1HB TYR 61 3.287 1.815 0.792 478 HB3 TYR 61 2HB TYR 61 2.431 0.662 -0.225 479 HD1 TYR 61 2HD TYR 61 2.046 -1.658 0.603 480 HD2 TYR 61 1HD TYR 61 3.658 1.386 3.102 481 HE1 TYR 61 2HE TYR 61 1.488 -2.998 2.588 482 HE2 TYR 61 1HE TYR 61 3.107 0.052 5.093 483 HH TYR 61 HH TYR 61 2.290 -3.196 4.960 484 H ALA 62 H ALA 62 5.045 2.660 -1.156 485 HA ALA 62 HA ALA 62 3.917 2.345 -3.725 486 HB1 ALA 62 1HB ALA 62 5.628 4.368 -2.390 487 HB2 ALA 62 2HB ALA 62 5.558 4.388 -4.153 488 HB3 ALA 62 3HB ALA 62 4.077 4.555 -3.211 489 H GLU 63 H GLU 63 7.232 2.035 -2.523 490 HA GLU 63 HA GLU 63 8.493 1.694 -5.009 491 HB2 GLU 63 1HB GLU 63 9.688 2.164 -2.891 492 HB3 GLU 63 2HB GLU 63 9.305 0.540 -2.334 493 HG2 GLU 63 1HG GLU 63 10.811 -0.450 -3.739 494 HG3 GLU 63 2HG GLU 63 10.732 0.854 -4.922 495 H MET 64 H MET 64 7.475 -0.768 -2.638 496 HA MET 64 HA MET 64 8.098 -3.004 -4.193 497 HB2 MET 64 1HB MET 64 6.817 -4.277 -2.656 498 HB3 MET 64 2HB MET 64 7.511 -2.954 -1.730 499 HG2 MET 64 1HG MET 64 5.470 -1.846 -1.553 500 HG3 MET 64 2HG MET 64 4.754 -2.762 -2.877 501 HE1 MET 64 1HE MET 64 6.325 -4.729 0.765 502 HE2 MET 64 2HE MET 64 6.617 -3.062 0.272 503 HE3 MET 64 3HE MET 64 5.312 -3.432 1.400 504 H ALA 65 H ALA 65 5.254 -0.952 -4.141 505 HA ALA 65 HA ALA 65 3.571 -2.624 -5.686 506 HB1 ALA 65 1HB ALA 65 2.128 -0.744 -5.890 507 HB2 ALA 65 2HB ALA 65 2.831 -0.690 -4.272 508 HB3 ALA 65 3HB ALA 65 3.441 0.380 -5.535 509 H ARG 66 H ARG 66 5.475 0.253 -6.599 510 HA ARG 66 HA ARG 66 4.942 0.197 -9.328 511 HB2 ARG 66 1HB ARG 66 7.418 1.136 -7.871 512 HB3 ARG 66 2HB ARG 66 7.086 1.461 -9.567 513 HG2 ARG 66 1HG ARG 66 5.135 2.746 -8.989 514 HG3 ARG 66 2HG ARG 66 5.324 2.327 -7.285 515 HD2 ARG 66 1HD ARG 66 7.127 4.037 -8.983 516 HD3 ARG 66 2HD ARG 66 6.185 4.527 -7.576 517 HE ARG 66 HE ARG 66 7.804 3.622 -6.198 518 HH11 ARG 66 1HH1 ARG 66 8.437 2.791 -9.519 519 HH12 ARG 66 2HH1 ARG 66 10.036 2.204 -9.203 520 HH21 ARG 66 1HH2 ARG 66 9.907 2.851 -5.770 521 HH22 ARG 66 2HH2 ARG 66 10.871 2.238 -7.069 522 H GLU 67 H GLU 67 7.767 -1.161 -7.625 523 HA GLU 67 HA GLU 67 8.998 -2.336 -9.822 524 HB2 GLU 67 1HB GLU 67 10.269 -3.624 -8.278 525 HB3 GLU 67 2HB GLU 67 9.950 -2.080 -7.502 526 HG2 GLU 67 1HG GLU 67 8.141 -3.097 -6.215 527 HG3 GLU 67 2HG GLU 67 8.462 -4.647 -6.992 528 H TRP 68 H TRP 68 6.466 -3.589 -7.705 529 HA TRP 68 HA TRP 68 6.407 -6.218 -8.681 530 HB2 TRP 68 1HB TRP 68 5.266 -5.698 -6.637 531 HB3 TRP 68 2HB TRP 68 4.249 -4.506 -7.441 532 HD1 TRP 68 HD TRP 68 4.797 -8.337 -7.386 533 HE1 TRP 68 1HE TRP 68 2.564 -9.469 -7.981 534 HE3 TRP 68 3HE TRP 68 2.029 -4.169 -8.431 535 HZ2 TRP 68 2HZ TRP 68 -0.028 -8.698 -8.789 536 HZ3 TRP 68 3HZ TRP 68 -0.320 -4.452 -9.108 537 HH2 TRP 68 HH TRP 68 -1.325 -6.671 -9.284 538 H ARG 69 H ARG 69 4.511 -3.364 -9.637 539 HA ARG 69 HA ARG 69 3.019 -4.654 -11.650 540 HB2 ARG 69 1HB ARG 69 3.698 -1.786 -11.074 541 HB3 ARG 69 2HB ARG 69 2.828 -2.220 -12.539 542 HG2 ARG 69 1HG ARG 69 1.220 -3.457 -10.941 543 HG3 ARG 69 2HG ARG 69 1.958 -2.455 -9.690 544 HD2 ARG 69 1HD ARG 69 0.593 -1.468 -12.191 545 HD3 ARG 69 2HD ARG 69 -0.067 -1.416 -10.558 546 HE ARG 69 HE ARG 69 1.849 0.384 -11.708 547 HH11 ARG 69 1HH1 ARG 69 0.654 -0.993 -8.743 548 HH12 ARG 69 2HH1 ARG 69 1.191 0.329 -7.760 549 HH21 ARG 69 1HH2 ARG 69 2.560 2.131 -10.425 550 HH22 ARG 69 2HH2 ARG 69 2.274 2.105 -8.718 551 H ALA 70 H ALA 70 6.115 -2.961 -11.702 552 HA ALA 70 HA ALA 70 6.466 -2.912 -14.495 553 HB1 ALA 70 1HB ALA 70 8.895 -3.195 -12.856 554 HB2 ALA 70 2HB ALA 70 8.463 -1.969 -14.051 555 HB3 ALA 70 3HB ALA 70 7.822 -1.866 -12.410 556 H ALA 71 H ALA 71 7.632 -5.215 -12.044 557 HA ALA 71 HA ALA 71 8.868 -6.953 -13.923 558 HB1 ALA 71 1HB ALA 71 9.017 -6.689 -11.241 559 HB2 ALA 71 2HB ALA 71 7.987 -8.115 -11.367 560 HB3 ALA 71 3HB ALA 71 9.579 -8.108 -12.126 561 H GLN 72 H GLN 72 5.681 -6.827 -12.430 562 HA GLN 72 HA GLN 72 4.822 -9.370 -13.381 563 HB2 GLN 72 1HB GLN 72 3.389 -6.972 -12.266 564 HB3 GLN 72 2HB GLN 72 2.505 -8.366 -12.871 565 HG2 GLN 72 1HG GLN 72 4.484 -8.319 -10.607 566 HG3 GLN 72 2HG GLN 72 2.740 -8.547 -10.495 567 HE21 GLN 72 1HE2 GLN 72 5.201 -10.209 -9.823 568 HE22 GLN 72 2HE2 GLN 72 4.852 -11.754 -10.514 569 H GLY 73 H GLY 73 5.050 -6.229 -14.779 570 HA2 GLY 73 1HA GLY 73 3.203 -6.909 -16.946 571 HA3 GLY 73 2HA GLY 73 3.953 -5.342 -16.676 572 H LYS 74 H LYS 74 6.630 -6.179 -16.443 573 HA LYS 74 HA LYS 74 7.232 -6.584 -19.246 574 HB2 LYS 74 1HB LYS 74 8.806 -5.801 -16.824 575 HB3 LYS 74 2HB LYS 74 9.655 -6.388 -18.248 576 HG2 LYS 74 1HG LYS 74 9.669 -4.116 -18.586 577 HG3 LYS 74 2HG LYS 74 8.242 -4.605 -19.502 578 HD2 LYS 74 1HD LYS 74 6.794 -3.935 -17.699 579 HD3 LYS 74 2HD LYS 74 8.179 -3.598 -16.659 580 HE2 LYS 74 1HE LYS 74 8.888 -1.920 -18.450 581 HE3 LYS 74 2HE LYS 74 7.261 -2.106 -19.099 582 HZ1 LYS 74 1HZ LYS 74 6.425 -1.485 -16.856 583 HZ2 LYS 74 2HZ LYS 74 7.259 -0.246 -17.648 584 HZ3 LYS 74 3HZ LYS 74 8.014 -1.114 -16.408 585 H ASP 75 H ASP 75 6.052 -8.831 -18.039 586 HA ASP 75 HA ASP 75 8.178 -10.780 -18.475 587 HB2 ASP 75 1HB ASP 75 6.704 -10.394 -15.919 588 HB3 ASP 75 2HB ASP 75 6.993 -12.051 -16.442 589 HA PRO 76 HA PRO 76 5.014 -12.771 -20.796 590 HB2 PRO 76 1HB PRO 76 6.064 -15.272 -20.899 591 HB3 PRO 76 2HB PRO 76 6.711 -13.919 -21.837 592 HG2 PRO 76 1HG PRO 76 7.690 -15.073 -19.253 593 HG3 PRO 76 2HG PRO 76 8.621 -14.554 -20.671 594 HD2 PRO 76 1HD PRO 76 8.368 -13.021 -18.453 595 HD3 PRO 76 2HD PRO 76 8.516 -12.328 -20.081 596 H GLY 77 H GLY 77 5.893 -13.769 -17.605 597 HA2 GLY 77 1HA GLY 77 3.433 -15.395 -17.432 598 HA3 GLY 77 2HA GLY 77 4.856 -15.654 -16.434 599 HA PRO 78 HA PRO 78 2.538 -11.658 -14.893 600 HB2 PRO 78 1HB PRO 78 -0.100 -11.592 -15.531 601 HB3 PRO 78 2HB PRO 78 1.150 -10.849 -16.535 602 HG2 PRO 78 1HG PRO 78 -0.220 -13.490 -16.862 603 HG3 PRO 78 2HG PRO 78 0.173 -12.274 -18.090 604 HD2 PRO 78 1HD PRO 78 1.666 -14.501 -17.714 605 HD3 PRO 78 2HD PRO 78 2.368 -12.960 -18.247 606 H SER 79 H SER 79 1.708 -14.919 -14.860 607 HA SER 79 HA SER 79 -0.352 -15.353 -13.196 608 HB2 SER 79 1HB SER 79 1.037 -17.184 -13.960 609 HB3 SER 79 2HB SER 79 2.392 -16.613 -12.986 610 HG SER 79 HG SER 79 1.157 -18.359 -12.038 611 H GLU 80 H GLU 80 -0.903 -15.101 -11.084 612 HA GLU 80 HA GLU 80 0.734 -13.261 -9.533 613 HB2 GLU 80 1HB GLU 80 -2.032 -14.361 -8.996 614 HB3 GLU 80 2HB GLU 80 -1.228 -13.116 -8.049 615 HG2 GLU 80 1HG GLU 80 -1.915 -12.862 -10.966 616 HG3 GLU 80 2HG GLU 80 -2.899 -12.237 -9.643 617 H LYS 81 H LYS 81 -1.236 -16.018 -8.460 618 HA LYS 81 HA LYS 81 -0.852 -17.652 -6.924 619 HB2 LYS 81 1HB LYS 81 1.833 -17.374 -8.239 620 HB3 LYS 81 2HB LYS 81 1.608 -18.496 -6.904 621 HG2 LYS 81 1HG LYS 81 -0.313 -19.474 -8.248 622 HG3 LYS 81 2HG LYS 81 0.309 -18.537 -9.609 623 HD2 LYS 81 1HD LYS 81 2.508 -19.651 -9.298 624 HD3 LYS 81 2HD LYS 81 1.781 -20.658 -8.045 625 HE2 LYS 81 1HE LYS 81 0.032 -21.188 -9.925 626 HE3 LYS 81 2HE LYS 81 1.332 -20.667 -10.996 627 HZ1 LYS 81 1HZ LYS 81 2.767 -22.309 -9.762 628 HZ2 LYS 81 2HZ LYS 81 1.570 -22.976 -10.755 629 HZ3 LYS 81 3HZ LYS 81 1.347 -22.924 -9.078 630 H GLN 82 H GLN 82 -1.114 -15.314 -5.702 631 HA GLN 82 HA GLN 82 0.949 -14.259 -4.204 632 HB2 GLN 82 1HB GLN 82 -1.998 -14.446 -3.850 633 HB3 GLN 82 2HB GLN 82 -1.046 -13.968 -2.450 634 HG2 GLN 82 1HG GLN 82 -1.682 -11.967 -3.473 635 HG3 GLN 82 2HG GLN 82 0.000 -12.209 -3.941 636 HE21 GLN 82 1HE2 GLN 82 -3.033 -13.563 -5.176 637 HE22 GLN 82 2HE2 GLN 82 -2.805 -13.040 -6.806 638 H LYS 83 H LYS 83 2.277 -15.113 -2.761 639 HA LYS 83 HA LYS 83 2.057 -17.735 -1.784 640 HB2 LYS 83 1HB LYS 83 3.931 -17.120 -0.289 641 HB3 LYS 83 2HB LYS 83 4.210 -16.636 -1.956 642 HG2 LYS 83 1HG LYS 83 3.230 -14.356 -1.168 643 HG3 LYS 83 2HG LYS 83 3.657 -14.949 0.439 644 HD2 LYS 83 1HD LYS 83 5.681 -15.104 -1.748 645 HD3 LYS 83 2HD LYS 83 5.367 -13.546 -0.979 646 HE2 LYS 83 1HE LYS 83 7.069 -14.367 0.335 647 HE3 LYS 83 2HE LYS 83 5.650 -14.906 1.231 648 HZ1 LYS 83 1HZ LYS 83 7.114 -16.585 -0.731 649 HZ2 LYS 83 2HZ LYS 83 5.870 -17.079 0.302 650 HZ3 LYS 83 3HZ LYS 83 7.373 -16.638 0.940 651 HA PRO 84 HA PRO 84 -0.584 -17.414 1.712 652 HB2 PRO 84 1HB PRO 84 0.472 -19.335 3.314 653 HB3 PRO 84 2HB PRO 84 -0.457 -19.704 1.856 654 HG2 PRO 84 1HG PRO 84 2.511 -19.645 2.248 655 HG3 PRO 84 2HG PRO 84 1.521 -20.828 1.373 656 HD2 PRO 84 1HD PRO 84 2.900 -18.867 0.114 657 HD3 PRO 84 2HD PRO 84 1.356 -19.493 -0.499 658 H VAL 85 H VAL 85 0.009 -15.314 2.433 659 HA VAL 85 HA VAL 85 2.224 -15.064 4.300 660 HB VAL 85 HB VAL 85 1.646 -12.678 4.371 661 HG11 VAL 85 1HG1 VAL 85 3.187 -13.092 2.702 662 HG12 VAL 85 2HG1 VAL 85 2.051 -14.043 1.744 663 HG13 VAL 85 3HG1 VAL 85 1.896 -12.287 1.812 664 HG21 VAL 85 1HG2 VAL 85 -0.611 -13.487 2.545 665 HG22 VAL 85 2HG2 VAL 85 -0.747 -12.786 4.158 666 HG23 VAL 85 3HG2 VAL 85 -0.103 -11.822 2.828 667 H PHE 86 H PHE 86 2.041 -15.117 6.446 668 HA PHE 86 HA PHE 86 -0.668 -15.102 7.600 669 HB2 PHE 86 1HB PHE 86 0.319 -17.237 7.979 670 HB3 PHE 86 2HB PHE 86 1.850 -16.519 8.467 671 HD1 PHE 86 1HD PHE 86 -1.738 -16.278 9.474 672 HD2 PHE 86 2HD PHE 86 2.323 -16.633 10.700 673 HE1 PHE 86 1HE PHE 86 -2.458 -16.352 11.825 674 HE2 PHE 86 2HE PHE 86 1.610 -16.710 13.053 675 HZ PHE 86 HZ PHE 86 -0.784 -16.570 13.618 676 H THR 87 H THR 87 -0.590 -12.776 7.701 677 HA THR 87 HA THR 87 0.836 -11.845 10.090 678 HB THR 87 HB THR 87 1.377 -9.704 9.001 679 HG1 THR 87 1HG THR 87 1.276 -9.904 6.552 680 HG21 THR 87 1HG2 THR 87 3.039 -10.736 7.263 681 HG22 THR 87 2HG2 THR 87 2.470 -12.270 7.925 682 HG23 THR 87 3HG2 THR 87 3.232 -11.081 8.982 683 H SER 88 H SER 88 -0.537 -10.955 11.475 684 HA SER 88 HA SER 88 -2.746 -9.321 10.512 685 HB2 SER 88 1HB SER 88 -4.473 -10.533 11.570 686 HB3 SER 88 2HB SER 88 -3.507 -11.765 10.757 687 HG SER 88 HG SER 88 -4.160 -11.947 13.154 688 H GLY 89 H GLY 89 -3.540 -7.853 12.046 689 HA2 GLY 89 1HA GLY 89 -3.477 -7.489 14.609 690 HA3 GLY 89 2HA GLY 89 -1.740 -7.480 14.341 691 HA PRO 90 HA PRO 90 -3.917 -3.280 13.432 692 HB2 PRO 90 1HB PRO 90 -3.879 -2.121 15.887 693 HB3 PRO 90 2HB PRO 90 -5.256 -3.052 15.286 694 HG2 PRO 90 1HG PRO 90 -3.060 -3.897 17.138 695 HG3 PRO 90 2HG PRO 90 -4.801 -4.220 17.246 696 HD2 PRO 90 1HD PRO 90 -3.035 -6.052 16.320 697 HD3 PRO 90 2HD PRO 90 -4.703 -5.947 15.722 698 H SER 91 H SER 91 -2.685 -1.493 13.003 699 HA SER 91 HA SER 91 0.148 -1.714 13.559 700 HB2 SER 91 1HB SER 91 0.316 0.287 12.061 701 HB3 SER 91 2HB SER 91 -0.486 -1.094 11.312 702 HG SER 91 HG SER 91 -2.455 -0.099 11.634 703 H SER 92 H SER 92 0.079 -1.355 15.843 704 HA SER 92 HA SER 92 -0.719 1.307 16.738 705 HB2 SER 92 1HB SER 92 -0.591 0.474 18.951 706 HB3 SER 92 2HB SER 92 -1.270 -0.852 18.007 707 HG SER 92 HG SER 92 0.331 -1.971 18.762 708 H GLY 93 H GLY 93 0.671 2.861 17.435 709 HA2 GLY 93 1HA GLY 93 3.408 2.377 18.057 710 HA3 GLY 93 2HA GLY 93 3.242 3.019 16.429 Start of MODEL 3 1 H1 GLY 1 H GLY 1 19.570 4.201 -11.513 2 HA2 GLY 1 1HA GLY 1 18.124 3.375 -9.783 3 HA3 GLY 1 2HA GLY 1 17.112 4.354 -10.833 4 H SER 2 H SER 2 18.016 1.103 -9.926 5 HA SER 2 HA SER 2 16.823 -0.568 -11.625 6 HB2 SER 2 1HB SER 2 17.743 -1.007 -9.226 7 HB3 SER 2 2HB SER 2 16.059 -0.842 -8.731 8 HG SER 2 HG SER 2 15.568 -2.506 -10.265 9 H SER 3 H SER 3 14.959 1.031 -9.034 10 HA SER 3 HA SER 3 12.436 0.193 -9.761 11 HB2 SER 3 1HB SER 3 13.199 2.894 -8.624 12 HB3 SER 3 2HB SER 3 11.586 2.185 -8.588 13 HG SER 3 HG SER 3 12.184 0.862 -7.036 14 H GLY 4 H GLY 4 13.882 3.338 -10.652 15 HA2 GLY 4 1HA GLY 4 13.823 3.885 -13.081 16 HA3 GLY 4 2HA GLY 4 12.166 3.298 -13.059 17 H SER 5 H SER 5 14.105 6.006 -12.892 18 HA SER 5 HA SER 5 13.052 7.767 -11.130 19 HB2 SER 5 1HB SER 5 13.567 8.420 -14.041 20 HB3 SER 5 2HB SER 5 13.576 9.557 -12.694 21 HG SER 5 HG SER 5 15.682 8.744 -13.409 22 H SER 6 H SER 6 11.357 9.319 -11.152 23 HA SER 6 HA SER 6 8.832 8.355 -11.659 24 HB2 SER 6 1HB SER 6 9.832 11.195 -11.443 25 HB3 SER 6 2HB SER 6 8.118 10.805 -11.585 26 HG SER 6 HG SER 6 9.310 10.974 -9.384 27 H GLY 7 H GLY 7 7.212 8.915 -13.222 28 HA2 GLY 7 1HA GLY 7 7.646 10.357 -15.571 29 HA3 GLY 7 2HA GLY 7 8.116 8.694 -15.893 30 H MET 8 H MET 8 6.214 7.351 -14.349 31 HA MET 8 HA MET 8 4.032 7.275 -16.118 32 HB2 MET 8 1HB MET 8 4.253 6.199 -13.302 33 HB3 MET 8 2HB MET 8 2.993 5.771 -14.451 34 HG2 MET 8 1HG MET 8 4.889 5.001 -15.974 35 HG3 MET 8 2HG MET 8 5.911 5.103 -14.542 36 HE1 MET 8 1HE MET 8 6.188 2.890 -15.822 37 HE2 MET 8 2HE MET 8 6.012 1.637 -14.593 38 HE3 MET 8 3HE MET 8 4.931 1.664 -15.988 39 HA PRO 9 HA PRO 9 1.439 10.525 -14.677 40 HB2 PRO 9 1HB PRO 9 -0.953 9.598 -15.563 41 HB3 PRO 9 2HB PRO 9 0.277 10.268 -16.642 42 HG2 PRO 9 1HG PRO 9 -0.361 7.405 -16.042 43 HG3 PRO 9 2HG PRO 9 -0.005 8.169 -17.602 44 HD2 PRO 9 1HD PRO 9 1.841 6.750 -16.220 45 HD3 PRO 9 2HD PRO 9 2.272 8.137 -17.241 46 H ASN 10 H ASN 10 -0.438 10.939 -13.289 47 HA ASN 10 HA ASN 10 -0.754 8.824 -11.266 48 HB2 ASN 10 1HB ASN 10 -0.589 11.803 -11.088 49 HB3 ASN 10 2HB ASN 10 -1.538 10.937 -9.883 50 HD21 ASN 10 1HD2 ASN 10 0.337 12.169 -8.727 51 HD22 ASN 10 2HD2 ASN 10 1.720 11.195 -8.373 52 H ARG 11 H ARG 11 -2.520 11.535 -12.758 53 HA ARG 11 HA ARG 11 -5.022 11.270 -11.862 54 HB2 ARG 11 1HB ARG 11 -5.863 11.969 -14.039 55 HB3 ARG 11 2HB ARG 11 -4.373 12.821 -13.660 56 HG2 ARG 11 1HG ARG 11 -3.315 10.816 -15.029 57 HG3 ARG 11 2HG ARG 11 -4.926 10.796 -15.749 58 HD2 ARG 11 1HD ARG 11 -3.786 12.254 -17.135 59 HD3 ARG 11 2HD ARG 11 -4.569 13.351 -15.999 60 HE ARG 11 HE ARG 11 -2.051 12.739 -14.981 61 HH11 ARG 11 1HH1 ARG 11 -3.440 14.365 -17.728 62 HH12 ARG 11 2HH1 ARG 11 -2.110 15.458 -17.918 63 HH21 ARG 11 1HH2 ARG 11 -0.294 14.172 -15.221 64 HH22 ARG 11 2HH2 ARG 11 -0.319 15.347 -16.492 65 H LYS 12 H LYS 12 -3.480 9.053 -14.131 66 HA LYS 12 HA LYS 12 -5.766 7.478 -14.669 67 HB2 LYS 12 1HB LYS 12 -2.810 7.047 -14.949 68 HB3 LYS 12 2HB LYS 12 -3.928 5.718 -15.231 69 HG2 LYS 12 1HG LYS 12 -3.755 6.511 -17.349 70 HG3 LYS 12 2HG LYS 12 -5.096 7.510 -16.785 71 HD2 LYS 12 1HD LYS 12 -3.675 9.372 -16.421 72 HD3 LYS 12 2HD LYS 12 -2.222 8.388 -16.606 73 HE2 LYS 12 1HE LYS 12 -2.908 7.970 -18.974 74 HE3 LYS 12 2HE LYS 12 -4.212 9.135 -18.745 75 HZ1 LYS 12 1HZ LYS 12 -1.348 9.783 -18.321 76 HZ2 LYS 12 2HZ LYS 12 -2.648 10.863 -18.384 77 HZ3 LYS 12 3HZ LYS 12 -2.158 10.049 -19.783 78 H ALA 13 H ALA 13 -6.848 6.223 -13.314 79 HA ALA 13 HA ALA 13 -5.985 5.603 -10.707 80 HB1 ALA 13 1HB ALA 13 -7.947 3.970 -10.781 81 HB2 ALA 13 2HB ALA 13 -8.303 5.679 -11.033 82 HB3 ALA 13 3HB ALA 13 -8.234 4.582 -12.411 83 H SER 14 H SER 14 -4.973 3.873 -9.842 84 HA SER 14 HA SER 14 -4.753 1.344 -11.101 85 HB2 SER 14 1HB SER 14 -2.564 3.321 -11.535 86 HB3 SER 14 2HB SER 14 -2.109 1.646 -11.223 87 HG SER 14 HG SER 14 -4.123 2.093 -13.092 88 H ARG 15 H ARG 15 -3.087 -0.054 -9.937 89 HA ARG 15 HA ARG 15 -3.537 0.169 -7.144 90 HB2 ARG 15 1HB ARG 15 -1.676 -1.635 -8.702 91 HB3 ARG 15 2HB ARG 15 -2.028 -1.806 -6.988 92 HG2 ARG 15 1HG ARG 15 -4.218 -2.480 -7.378 93 HG3 ARG 15 2HG ARG 15 -4.228 -1.824 -9.015 94 HD2 ARG 15 1HD ARG 15 -2.685 -3.547 -9.743 95 HD3 ARG 15 2HD ARG 15 -2.573 -4.171 -8.097 96 HE ARG 15 HE ARG 15 -4.596 -5.222 -8.384 97 HH11 ARG 15 1HH1 ARG 15 -4.069 -2.969 -10.985 98 HH12 ARG 15 2HH1 ARG 15 -5.412 -3.533 -11.921 99 HH21 ARG 15 1HH2 ARG 15 -6.368 -5.974 -9.607 100 HH22 ARG 15 2HH2 ARG 15 -6.721 -5.242 -11.136 101 H ASN 16 H ASN 16 -2.469 1.351 -5.713 102 HA ASN 16 HA ASN 16 0.372 1.942 -6.199 103 HB2 ASN 16 1HB ASN 16 -1.836 3.846 -5.458 104 HB3 ASN 16 2HB ASN 16 -0.163 4.193 -5.031 105 HD21 ASN 16 1HD2 ASN 16 -1.910 2.961 -7.868 106 HD22 ASN 16 2HD2 ASN 16 -1.141 4.010 -9.006 107 H ALA 17 H ALA 17 1.210 3.096 -4.027 108 HA ALA 17 HA ALA 17 1.616 1.229 -2.123 109 HB1 ALA 17 1HB ALA 17 2.726 2.851 -1.072 110 HB2 ALA 17 2HB ALA 17 2.176 3.924 -2.359 111 HB3 ALA 17 3HB ALA 17 1.267 3.815 -0.852 112 H TYR 18 H TYR 18 -1.188 3.351 -2.351 113 HA TYR 18 HA TYR 18 -2.330 2.681 0.148 114 HB2 TYR 18 1HB TYR 18 -2.947 4.670 -1.250 115 HB3 TYR 18 2HB TYR 18 -3.791 3.579 -2.343 116 HD1 TYR 18 2HD TYR 18 -3.671 4.472 1.283 117 HD2 TYR 18 1HD TYR 18 -6.051 3.227 -2.016 118 HE1 TYR 18 2HE TYR 18 -5.688 4.640 2.682 119 HE2 TYR 18 1HE TYR 18 -8.074 3.393 -0.627 120 HH TYR 18 HH TYR 18 -8.323 3.266 2.284 121 H TYR 19 H TYR 19 -3.184 1.588 -3.140 122 HA TYR 19 HA TYR 19 -5.115 -0.257 -2.522 123 HB2 TYR 19 1HB TYR 19 -4.792 0.114 -4.805 124 HB3 TYR 19 2HB TYR 19 -3.056 -0.153 -4.704 125 HD1 TYR 19 2HD TYR 19 -6.340 -1.767 -4.926 126 HD2 TYR 19 1HD TYR 19 -2.135 -2.392 -4.766 127 HE1 TYR 19 2HE TYR 19 -6.664 -4.095 -5.652 128 HE2 TYR 19 1HE TYR 19 -2.447 -4.721 -5.494 129 HH TYR 19 HH TYR 19 -5.683 -6.081 -5.960 130 H PHE 20 H PHE 20 -1.604 -0.765 -2.584 131 HA PHE 20 HA PHE 20 -1.613 -3.500 -1.991 132 HB2 PHE 20 1HB PHE 20 0.373 -1.294 -1.786 133 HB3 PHE 20 2HB PHE 20 0.713 -2.772 -0.890 134 HD1 PHE 20 2HD PHE 20 -0.289 -1.631 -4.292 135 HD2 PHE 20 1HD PHE 20 1.819 -4.490 -1.947 136 HE1 PHE 20 2HE PHE 20 0.578 -2.671 -6.346 137 HE2 PHE 20 1HE PHE 20 2.690 -5.535 -3.997 138 HZ PHE 20 HZ PHE 20 2.069 -4.626 -6.201 139 H PHE 21 H PHE 21 -1.577 -0.670 0.131 140 HA PHE 21 HA PHE 21 -1.276 -2.065 2.559 141 HB2 PHE 21 1HB PHE 21 -0.854 0.286 2.541 142 HB3 PHE 21 2HB PHE 21 -2.463 0.634 1.918 143 HD1 PHE 21 1HD PHE 21 -0.684 -0.743 4.870 144 HD2 PHE 21 2HD PHE 21 -4.213 1.108 3.373 145 HE1 PHE 21 1HE PHE 21 -1.504 -0.452 7.172 146 HE2 PHE 21 2HE PHE 21 -5.037 1.402 5.672 147 HZ PHE 21 HZ PHE 21 -3.683 0.622 7.575 148 H VAL 22 H VAL 22 -4.169 -0.918 0.850 149 HA VAL 22 HA VAL 22 -6.063 -1.750 2.742 150 HB VAL 22 HB VAL 22 -6.354 -1.492 -0.253 151 HG11 VAL 22 1HG1 VAL 22 -8.826 -1.076 0.621 152 HG12 VAL 22 2HG1 VAL 22 -8.236 -2.687 0.210 153 HG13 VAL 22 3HG1 VAL 22 -8.285 -2.168 1.895 154 HG21 VAL 22 1HG2 VAL 22 -5.697 0.512 1.284 155 HG22 VAL 22 2HG2 VAL 22 -6.950 0.713 0.060 156 HG23 VAL 22 3HG2 VAL 22 -7.397 0.463 1.747 157 H GLN 23 H GLN 23 -4.774 -3.419 -0.117 158 HA GLN 23 HA GLN 23 -6.321 -5.712 -0.033 159 HB2 GLN 23 1HB GLN 23 -4.572 -4.992 -1.767 160 HB3 GLN 23 2HB GLN 23 -3.390 -5.763 -0.718 161 HG2 GLN 23 1HG GLN 23 -3.941 -7.355 -2.351 162 HG3 GLN 23 2HG GLN 23 -4.786 -7.856 -0.887 163 HE21 GLN 23 1HE2 GLN 23 -5.533 -5.425 -3.354 164 HE22 GLN 23 2HE2 GLN 23 -7.079 -6.072 -3.773 165 H GLU 24 H GLU 24 -3.360 -4.955 1.746 166 HA GLU 24 HA GLU 24 -3.252 -7.533 3.015 167 HB2 GLU 24 1HB GLU 24 -1.729 -4.963 3.380 168 HB3 GLU 24 2HB GLU 24 -1.501 -6.332 4.461 169 HG2 GLU 24 1HG GLU 24 -1.251 -6.684 1.506 170 HG3 GLU 24 2HG GLU 24 0.083 -6.020 2.446 171 H LYS 25 H LYS 25 -5.478 -5.305 3.339 172 HA LYS 25 HA LYS 25 -5.685 -5.602 6.264 173 HB2 LYS 25 1HB LYS 25 -6.517 -3.317 4.482 174 HB3 LYS 25 2HB LYS 25 -7.133 -3.507 6.118 175 HG2 LYS 25 1HG LYS 25 -4.188 -3.504 5.650 176 HG3 LYS 25 2HG LYS 25 -5.079 -1.979 5.653 177 HD2 LYS 25 1HD LYS 25 -5.427 -3.948 7.883 178 HD3 LYS 25 2HD LYS 25 -4.045 -2.850 7.867 179 HE2 LYS 25 1HE LYS 25 -5.397 -0.957 8.034 180 HE3 LYS 25 2HE LYS 25 -6.835 -1.821 7.493 181 HZ1 LYS 25 1HZ LYS 25 -5.811 -2.985 9.863 182 HZ2 LYS 25 2HZ LYS 25 -7.339 -2.317 9.579 183 HZ3 LYS 25 3HZ LYS 25 -6.067 -1.329 10.097 184 H ILE 26 H ILE 26 -7.192 -5.998 3.184 185 HA ILE 26 HA ILE 26 -9.861 -6.094 3.646 186 HB ILE 26 HB ILE 26 -8.064 -7.696 1.917 187 HG12 ILE 26 1HG1 ILE 26 -10.637 -6.203 1.365 188 HG13 ILE 26 2HG1 ILE 26 -9.029 -5.490 1.275 189 HG21 ILE 26 1HG2 ILE 26 -9.447 -9.473 2.706 190 HG22 ILE 26 2HG2 ILE 26 -10.903 -8.497 2.515 191 HG23 ILE 26 3HG2 ILE 26 -10.010 -9.033 1.093 192 HD11 ILE 26 1HD1 ILE 26 -9.039 -7.838 -0.312 193 HD12 ILE 26 2HD1 ILE 26 -10.460 -6.879 -0.726 194 HD13 ILE 26 3HD1 ILE 26 -8.853 -6.159 -0.819 195 HA PRO 27 HA PRO 27 -9.622 -10.569 5.453 196 HB2 PRO 27 1HB PRO 27 -7.161 -11.539 6.058 197 HB3 PRO 27 2HB PRO 27 -7.914 -11.752 4.474 198 HG2 PRO 27 1HG PRO 27 -5.859 -9.755 5.341 199 HG3 PRO 27 2HG PRO 27 -5.936 -10.704 3.844 200 HD2 PRO 27 1HD PRO 27 -6.701 -8.109 3.965 201 HD3 PRO 27 2HD PRO 27 -7.466 -9.280 2.873 202 H GLU 28 H GLU 28 -7.438 -8.076 6.535 203 HA GLU 28 HA GLU 28 -7.275 -8.906 9.252 204 HB2 GLU 28 1HB GLU 28 -5.572 -7.453 8.403 205 HB3 GLU 28 2HB GLU 28 -6.760 -6.257 7.902 206 HG2 GLU 28 1HG GLU 28 -5.920 -5.322 9.822 207 HG3 GLU 28 2HG GLU 28 -7.353 -6.157 10.421 208 H LEU 29 H LEU 29 -9.388 -6.718 7.468 209 HA LEU 29 HA LEU 29 -10.780 -5.822 9.817 210 HB2 LEU 29 1HB LEU 29 -11.414 -5.557 6.883 211 HB3 LEU 29 2HB LEU 29 -12.343 -4.799 8.174 212 HG LEU 29 HG LEU 29 -9.426 -4.240 7.657 213 HD11 LEU 29 1HD1 LEU 29 -10.531 -1.999 6.859 214 HD12 LEU 29 2HD1 LEU 29 -11.901 -3.051 6.504 215 HD13 LEU 29 3HD1 LEU 29 -10.336 -3.357 5.750 216 HD21 LEU 29 1HD2 LEU 29 -10.680 -3.825 9.937 217 HD22 LEU 29 2HD2 LEU 29 -11.295 -2.412 9.080 218 HD23 LEU 29 3HD2 LEU 29 -9.556 -2.635 9.281 219 H ARG 30 H ARG 30 -11.424 -8.112 7.193 220 HA ARG 30 HA ARG 30 -14.024 -8.801 7.656 221 HB2 ARG 30 1HB ARG 30 -11.666 -10.499 6.870 222 HB3 ARG 30 2HB ARG 30 -13.289 -11.168 6.975 223 HG2 ARG 30 1HG ARG 30 -14.056 -9.523 5.320 224 HG3 ARG 30 2HG ARG 30 -12.408 -8.906 5.193 225 HD2 ARG 30 1HD ARG 30 -12.842 -10.432 3.374 226 HD3 ARG 30 2HD ARG 30 -11.660 -11.144 4.471 227 HE ARG 30 HE ARG 30 -14.354 -12.074 3.962 228 HH11 ARG 30 1HH1 ARG 30 -11.565 -12.204 6.042 229 HH12 ARG 30 2HH1 ARG 30 -11.987 -13.739 6.729 230 HH21 ARG 30 1HH2 ARG 30 -14.920 -14.093 4.859 231 HH22 ARG 30 2HH2 ARG 30 -13.895 -14.812 6.055 232 H ARG 31 H ARG 31 -11.179 -10.098 9.345 233 HA ARG 31 HA ARG 31 -12.682 -11.786 11.071 234 HB2 ARG 31 1HB ARG 31 -10.597 -12.096 12.281 235 HB3 ARG 31 2HB ARG 31 -10.306 -12.181 10.550 236 HG2 ARG 31 1HG ARG 31 -9.423 -9.932 10.549 237 HG3 ARG 31 2HG ARG 31 -9.799 -9.760 12.265 238 HD2 ARG 31 1HD ARG 31 -8.049 -11.996 11.324 239 HD3 ARG 31 2HD ARG 31 -7.381 -10.376 11.523 240 HE ARG 31 HE ARG 31 -8.635 -10.813 13.877 241 HH11 ARG 31 1HH1 ARG 31 -6.312 -12.637 12.034 242 HH12 ARG 31 2HH1 ARG 31 -5.585 -13.368 13.427 243 HH21 ARG 31 1HH2 ARG 31 -7.687 -11.769 15.718 244 HH22 ARG 31 2HH2 ARG 31 -6.370 -12.874 15.522 245 H ARG 32 H ARG 32 -11.471 -8.493 11.294 246 HA ARG 32 HA ARG 32 -11.811 -8.027 14.011 247 HB2 ARG 32 1HB ARG 32 -11.868 -6.295 11.578 248 HB3 ARG 32 2HB ARG 32 -12.376 -5.608 13.114 249 HG2 ARG 32 1HG ARG 32 -10.093 -6.679 13.925 250 HG3 ARG 32 2HG ARG 32 -9.691 -6.481 12.217 251 HD2 ARG 32 1HD ARG 32 -8.980 -4.508 13.332 252 HD3 ARG 32 2HD ARG 32 -10.432 -4.091 12.423 253 HE ARG 32 HE ARG 32 -11.422 -4.692 14.849 254 HH11 ARG 32 1HH1 ARG 32 -8.813 -2.629 13.823 255 HH12 ARG 32 2HH1 ARG 32 -8.995 -1.523 15.145 256 HH21 ARG 32 1HH2 ARG 32 -11.672 -3.244 16.593 257 HH22 ARG 32 2HH2 ARG 32 -10.621 -1.874 16.720 258 H GLY 33 H GLY 33 -14.160 -7.744 11.366 259 HA2 GLY 33 1HA GLY 33 -16.440 -8.565 12.056 260 HA3 GLY 33 2HA GLY 33 -16.278 -7.448 13.404 261 H LEU 34 H LEU 34 -15.452 -7.008 9.980 262 HA LEU 34 HA LEU 34 -17.548 -4.955 9.803 263 HB2 LEU 34 1HB LEU 34 -14.674 -4.698 8.943 264 HB3 LEU 34 2HB LEU 34 -15.949 -3.588 8.444 265 HG LEU 34 HG LEU 34 -15.181 -4.051 11.320 266 HD11 LEU 34 1HD1 LEU 34 -13.827 -2.115 11.243 267 HD12 LEU 34 2HD1 LEU 34 -14.349 -1.727 9.604 268 HD13 LEU 34 3HD1 LEU 34 -13.319 -3.129 9.892 269 HD21 LEU 34 1HD2 LEU 34 -16.547 -2.247 11.834 270 HD22 LEU 34 2HD2 LEU 34 -17.474 -3.105 10.602 271 HD23 LEU 34 3HD2 LEU 34 -16.563 -1.657 10.171 272 HA PRO 35 HA PRO 35 -18.609 -6.976 6.039 273 HB2 PRO 35 1HB PRO 35 -19.939 -4.948 4.820 274 HB3 PRO 35 2HB PRO 35 -20.611 -5.858 6.177 275 HG2 PRO 35 1HG PRO 35 -19.267 -3.182 6.170 276 HG3 PRO 35 2HG PRO 35 -20.723 -3.701 7.039 277 HD2 PRO 35 1HD PRO 35 -18.298 -3.528 8.231 278 HD3 PRO 35 2HD PRO 35 -19.512 -4.732 8.707 279 H VAL 36 H VAL 36 -16.329 -7.080 5.368 280 HA VAL 36 HA VAL 36 -15.755 -5.166 3.198 281 HB VAL 36 HB VAL 36 -13.293 -5.938 3.677 282 HG11 VAL 36 1HG1 VAL 36 -14.956 -3.822 4.900 283 HG12 VAL 36 2HG1 VAL 36 -13.362 -4.084 5.611 284 HG13 VAL 36 3HG1 VAL 36 -13.511 -3.695 3.897 285 HG21 VAL 36 1HG2 VAL 36 -14.266 -7.525 5.492 286 HG22 VAL 36 2HG2 VAL 36 -12.773 -6.645 5.818 287 HG23 VAL 36 3HG2 VAL 36 -14.299 -6.072 6.490 288 H ALA 37 H ALA 37 -16.256 -6.235 1.383 289 HA ALA 37 HA ALA 37 -15.619 -9.073 1.135 290 HB1 ALA 37 1HB ALA 37 -17.068 -7.283 -0.811 291 HB2 ALA 37 2HB ALA 37 -16.970 -9.044 -0.860 292 HB3 ALA 37 3HB ALA 37 -17.847 -8.246 0.445 293 H ARG 38 H ARG 38 -14.817 -5.965 -0.341 294 HA ARG 38 HA ARG 38 -12.394 -7.178 -1.445 295 HB2 ARG 38 1HB ARG 38 -12.725 -5.978 -3.590 296 HB3 ARG 38 2HB ARG 38 -13.939 -7.218 -3.303 297 HG2 ARG 38 1HG ARG 38 -15.572 -5.578 -2.710 298 HG3 ARG 38 2HG ARG 38 -14.364 -4.293 -2.745 299 HD2 ARG 38 1HD ARG 38 -14.304 -4.221 -5.029 300 HD3 ARG 38 2HD ARG 38 -14.735 -5.923 -5.200 301 HE ARG 38 HE ARG 38 -16.523 -3.696 -5.136 302 HH11 ARG 38 1HH1 ARG 38 -16.207 -7.074 -4.357 303 HH12 ARG 38 2HH1 ARG 38 -17.905 -7.396 -4.482 304 HH21 ARG 38 1HH2 ARG 38 -18.760 -4.108 -5.304 305 HH22 ARG 38 2HH2 ARG 38 -19.356 -5.708 -5.021 306 H VAL 39 H VAL 39 -11.010 -5.313 -2.465 307 HA VAL 39 HA VAL 39 -10.152 -3.642 -0.451 308 HB VAL 39 HB VAL 39 -9.874 -3.406 -3.437 309 HG11 VAL 39 1HG1 VAL 39 -9.509 -1.207 -3.060 310 HG12 VAL 39 2HG1 VAL 39 -9.165 -1.446 -1.346 311 HG13 VAL 39 3HG1 VAL 39 -7.923 -1.786 -2.552 312 HG21 VAL 39 1HG2 VAL 39 -8.083 -4.281 -1.186 313 HG22 VAL 39 2HG2 VAL 39 -8.630 -5.217 -2.577 314 HG23 VAL 39 3HG2 VAL 39 -7.468 -3.908 -2.797 315 H ALA 40 H ALA 40 -12.450 -2.928 -3.051 316 HA ALA 40 HA ALA 40 -12.817 -0.222 -2.674 317 HB1 ALA 40 1HB ALA 40 -14.977 -0.477 -3.706 318 HB2 ALA 40 2HB ALA 40 -13.832 -1.566 -4.488 319 HB3 ALA 40 3HB ALA 40 -14.997 -2.199 -3.325 320 H ASP 41 H ASP 41 -14.230 -2.908 -0.872 321 HA ASP 41 HA ASP 41 -15.941 -1.253 0.715 322 HB2 ASP 41 1HB ASP 41 -15.136 -4.133 0.739 323 HB3 ASP 41 2HB ASP 41 -15.898 -3.454 2.174 324 H ALA 42 H ALA 42 -12.732 -2.651 1.109 325 HA ALA 42 HA ALA 42 -12.478 -1.719 3.831 326 HB1 ALA 42 1HB ALA 42 -10.355 -2.752 3.844 327 HB2 ALA 42 2HB ALA 42 -11.407 -3.816 2.908 328 HB3 ALA 42 3HB ALA 42 -10.263 -2.758 2.083 329 H ILE 43 H ILE 43 -12.105 -0.363 0.760 330 HA ILE 43 HA ILE 43 -9.920 1.279 0.876 331 HB ILE 43 HB ILE 43 -12.591 1.530 -0.386 332 HG12 ILE 43 1HG1 ILE 43 -9.723 1.692 -1.324 333 HG13 ILE 43 2HG1 ILE 43 -10.855 0.368 -1.575 334 HG21 ILE 43 1HG2 ILE 43 -10.727 3.855 0.019 335 HG22 ILE 43 2HG2 ILE 43 -11.918 3.797 -1.280 336 HG23 ILE 43 3HG2 ILE 43 -12.446 3.754 0.403 337 HD11 ILE 43 1HD1 ILE 43 -12.184 2.438 -2.723 338 HD12 ILE 43 2HD1 ILE 43 -10.505 2.857 -3.063 339 HD13 ILE 43 3HD1 ILE 43 -11.147 1.299 -3.581 340 HA PRO 44 HA PRO 44 -12.428 4.636 3.284 341 HB2 PRO 44 1HB PRO 44 -14.825 3.894 4.321 342 HB3 PRO 44 2HB PRO 44 -14.648 4.571 2.697 343 HG2 PRO 44 1HG PRO 44 -14.921 1.711 3.539 344 HG3 PRO 44 2HG PRO 44 -15.695 2.557 2.187 345 HD2 PRO 44 1HD PRO 44 -13.536 0.957 1.859 346 HD3 PRO 44 2HD PRO 44 -13.828 2.386 0.846 347 H TYR 45 H TYR 45 -13.238 1.393 4.531 348 HA TYR 45 HA TYR 45 -12.962 1.998 7.249 349 HB2 TYR 45 1HB TYR 45 -12.458 -0.657 5.890 350 HB3 TYR 45 2HB TYR 45 -12.796 -0.414 7.600 351 HD1 TYR 45 2HD TYR 45 -15.039 1.312 7.747 352 HD2 TYR 45 1HD TYR 45 -14.229 -1.691 4.844 353 HE1 TYR 45 2HE TYR 45 -17.449 1.100 7.303 354 HE2 TYR 45 1HE TYR 45 -16.637 -1.911 4.392 355 HH TYR 45 HH TYR 45 -18.734 -1.442 5.313 356 H CYS 46 H CYS 46 -10.616 1.859 4.840 357 HA CYS 46 HA CYS 46 -8.469 1.371 6.792 358 HB2 CYS 46 1HB CYS 46 -8.526 1.143 3.783 359 HB3 CYS 46 2HB CYS 46 -7.033 1.105 4.712 360 HG CYS 46 HG CYS 46 -7.535 -1.512 4.107 361 H SER 47 H SER 47 -9.676 3.613 4.372 362 HA SER 47 HA SER 47 -7.737 5.401 3.944 363 HB2 SER 47 1HB SER 47 -9.375 7.110 3.720 364 HB3 SER 47 2HB SER 47 -10.202 5.603 3.329 365 HG SER 47 HG SER 47 -11.513 6.688 4.731 366 H SER 48 H SER 48 -9.365 4.915 7.015 367 HA SER 48 HA SER 48 -8.218 7.185 8.309 368 HB2 SER 48 1HB SER 48 -9.602 4.707 9.335 369 HB3 SER 48 2HB SER 48 -8.972 5.951 10.414 370 HG SER 48 HG SER 48 -11.301 5.976 9.409 371 H ASP 49 H ASP 49 -7.553 3.691 8.512 372 HA ASP 49 HA ASP 49 -5.346 3.871 10.224 373 HB2 ASP 49 1HB ASP 49 -6.720 1.802 9.351 374 HB3 ASP 49 2HB ASP 49 -5.464 1.748 8.118 375 H TRP 50 H TRP 50 -5.490 3.757 6.675 376 HA TRP 50 HA TRP 50 -2.784 3.746 6.112 377 HB2 TRP 50 1HB TRP 50 -4.387 3.468 4.343 378 HB3 TRP 50 2HB TRP 50 -5.061 5.070 4.630 379 HD1 TRP 50 HD TRP 50 -4.106 6.980 3.197 380 HE1 TRP 50 1HE TRP 50 -2.107 7.244 1.598 381 HE3 TRP 50 3HE TRP 50 -1.794 2.500 4.045 382 HZ2 TRP 50 2HZ TRP 50 0.152 5.750 0.801 383 HZ3 TRP 50 3HZ TRP 50 0.282 1.995 2.823 384 HH2 TRP 50 HH TRP 50 1.233 3.587 1.236 385 H ALA 51 H ALA 51 -4.869 6.462 6.949 386 HA ALA 51 HA ALA 51 -3.001 8.515 6.415 387 HB1 ALA 51 1HB ALA 51 -4.894 9.642 6.720 388 HB2 ALA 51 2HB ALA 51 -5.635 8.294 7.584 389 HB3 ALA 51 3HB ALA 51 -4.636 9.457 8.454 390 H LEU 52 H LEU 52 -3.234 6.220 8.944 391 HA LEU 52 HA LEU 52 -1.797 7.768 10.904 392 HB2 LEU 52 1HB LEU 52 -2.392 4.814 10.823 393 HB3 LEU 52 2HB LEU 52 -1.786 5.711 12.214 394 HG LEU 52 HG LEU 52 -4.453 6.287 10.943 395 HD11 LEU 52 1HD1 LEU 52 -4.222 4.733 13.467 396 HD12 LEU 52 2HD1 LEU 52 -4.010 3.888 11.934 397 HD13 LEU 52 3HD1 LEU 52 -5.511 4.753 12.263 398 HD21 LEU 52 1HD2 LEU 52 -3.856 8.105 12.257 399 HD22 LEU 52 2HD2 LEU 52 -3.049 7.099 13.460 400 HD23 LEU 52 3HD2 LEU 52 -4.811 7.114 13.362 401 H LEU 53 H LEU 53 -1.039 5.472 8.395 402 HA LEU 53 HA LEU 53 1.464 4.584 9.169 403 HB2 LEU 53 1HB LEU 53 0.150 5.063 6.543 404 HB3 LEU 53 2HB LEU 53 1.877 4.714 6.564 405 HG LEU 53 HG LEU 53 -0.031 2.883 7.963 406 HD11 LEU 53 1HD1 LEU 53 0.654 2.670 5.039 407 HD12 LEU 53 2HD1 LEU 53 -0.877 3.302 5.645 408 HD13 LEU 53 3HD1 LEU 53 -0.420 1.632 5.978 409 HD21 LEU 53 1HD2 LEU 53 1.758 1.572 8.157 410 HD22 LEU 53 2HD2 LEU 53 2.716 2.958 7.635 411 HD23 LEU 53 3HD2 LEU 53 2.177 1.762 6.455 412 H ARG 54 H ARG 54 3.601 5.245 8.456 413 HA ARG 54 HA ARG 54 3.879 8.157 8.545 414 HB2 ARG 54 1HB ARG 54 6.022 6.049 8.861 415 HB3 ARG 54 2HB ARG 54 6.171 7.767 9.212 416 HG2 ARG 54 1HG ARG 54 4.158 7.231 10.845 417 HG3 ARG 54 2HG ARG 54 4.860 5.614 10.770 418 HD2 ARG 54 1HD ARG 54 5.771 6.893 12.640 419 HD3 ARG 54 2HD ARG 54 7.020 6.508 11.457 420 HE ARG 54 HE ARG 54 7.236 8.752 10.987 421 HH11 ARG 54 1HH1 ARG 54 4.418 8.220 12.960 422 HH12 ARG 54 2HH1 ARG 54 4.164 9.904 13.281 423 HH21 ARG 54 1HH2 ARG 54 6.912 10.971 11.402 424 HH22 ARG 54 2HH2 ARG 54 5.583 11.468 12.394 425 H GLU 55 H GLU 55 5.408 9.231 7.156 426 HA GLU 55 HA GLU 55 5.070 8.852 4.480 427 HB2 GLU 55 1HB GLU 55 7.406 10.042 5.967 428 HB3 GLU 55 2HB GLU 55 7.291 10.081 4.213 429 HG2 GLU 55 1HG GLU 55 4.990 11.087 5.797 430 HG3 GLU 55 2HG GLU 55 6.445 12.077 5.703 431 H GLU 56 H GLU 56 7.658 7.494 6.485 432 HA GLU 56 HA GLU 56 9.158 6.288 4.471 433 HB2 GLU 56 1HB GLU 56 9.901 4.705 6.282 434 HB3 GLU 56 2HB GLU 56 10.073 6.411 6.667 435 HG2 GLU 56 1HG GLU 56 7.925 6.274 7.917 436 HG3 GLU 56 2HG GLU 56 7.941 4.533 7.647 437 H GLU 57 H GLU 57 6.483 4.945 6.392 438 HA GLU 57 HA GLU 57 6.462 2.393 5.257 439 HB2 GLU 57 1HB GLU 57 4.070 3.935 6.273 440 HB3 GLU 57 2HB GLU 57 4.202 2.189 6.119 441 HG2 GLU 57 1HG GLU 57 5.514 4.009 8.093 442 HG3 GLU 57 2HG GLU 57 4.532 2.574 8.381 443 H LYS 58 H LYS 58 4.461 5.220 4.416 444 HA LYS 58 HA LYS 58 3.067 4.125 2.292 445 HB2 LYS 58 1HB LYS 58 4.065 6.974 2.431 446 HB3 LYS 58 2HB LYS 58 2.664 6.385 1.545 447 HG2 LYS 58 1HG LYS 58 1.732 5.679 3.805 448 HG3 LYS 58 2HG LYS 58 3.012 6.669 4.511 449 HD2 LYS 58 1HD LYS 58 2.172 8.636 3.426 450 HD3 LYS 58 2HD LYS 58 1.006 7.687 2.502 451 HE2 LYS 58 1HE LYS 58 -0.356 8.437 4.171 452 HE3 LYS 58 2HE LYS 58 0.233 6.955 4.924 453 HZ1 LYS 58 1HZ LYS 58 2.090 8.586 5.770 454 HZ2 LYS 58 2HZ LYS 58 0.619 8.430 6.590 455 HZ3 LYS 58 3HZ LYS 58 0.873 9.740 5.551 456 H GLU 59 H GLU 59 6.217 5.765 2.256 457 HA GLU 59 HA GLU 59 6.648 5.691 -0.505 458 HB2 GLU 59 1HB GLU 59 7.982 6.900 1.347 459 HB3 GLU 59 2HB GLU 59 8.871 5.390 1.496 460 HG2 GLU 59 1HG GLU 59 9.693 5.545 -0.713 461 HG3 GLU 59 2HG GLU 59 8.581 6.854 -1.109 462 H LYS 60 H LYS 60 7.388 3.322 2.013 463 HA LYS 60 HA LYS 60 8.838 1.519 0.421 464 HB2 LYS 60 1HB LYS 60 9.006 1.178 2.731 465 HB3 LYS 60 2HB LYS 60 7.264 1.245 2.964 466 HG2 LYS 60 1HG LYS 60 7.119 -0.914 1.683 467 HG3 LYS 60 2HG LYS 60 8.879 -0.995 1.777 468 HD2 LYS 60 1HD LYS 60 8.588 -0.735 4.297 469 HD3 LYS 60 2HD LYS 60 6.878 -1.076 4.020 470 HE2 LYS 60 1HE LYS 60 7.735 -3.172 4.498 471 HE3 LYS 60 2HE LYS 60 7.757 -3.147 2.736 472 HZ1 LYS 60 1HZ LYS 60 10.066 -2.741 2.723 473 HZ2 LYS 60 2HZ LYS 60 9.826 -3.992 3.835 474 HZ3 LYS 60 3HZ LYS 60 10.110 -2.418 4.383 475 H TYR 61 H TYR 61 5.383 1.590 1.266 476 HA TYR 61 HA TYR 61 4.626 -0.702 -0.148 477 HB2 TYR 61 1HB TYR 61 3.196 1.714 0.866 478 HB3 TYR 61 2HB TYR 61 2.352 0.658 -0.261 479 HD1 TYR 61 2HD TYR 61 1.812 -1.652 0.366 480 HD2 TYR 61 1HD TYR 61 3.673 1.006 3.119 481 HE1 TYR 61 2HE TYR 61 1.223 -3.164 2.214 482 HE2 TYR 61 1HE TYR 61 3.089 -0.498 4.974 483 HH TYR 61 HH TYR 61 2.438 -2.672 5.448 484 H ALA 62 H ALA 62 5.005 2.640 -1.177 485 HA ALA 62 HA ALA 62 3.836 2.310 -3.748 486 HB1 ALA 62 1HB ALA 62 5.690 4.412 -3.886 487 HB2 ALA 62 2HB ALA 62 3.949 4.522 -3.620 488 HB3 ALA 62 3HB ALA 62 5.047 4.429 -2.244 489 H GLU 63 H GLU 63 7.118 2.031 -2.493 490 HA GLU 63 HA GLU 63 8.424 1.819 -4.991 491 HB2 GLU 63 1HB GLU 63 9.124 1.196 -2.162 492 HB3 GLU 63 2HB GLU 63 10.121 0.494 -3.428 493 HG2 GLU 63 1HG GLU 63 9.520 3.428 -3.349 494 HG3 GLU 63 2HG GLU 63 10.848 2.724 -2.429 495 H MET 64 H MET 64 7.504 -0.702 -2.640 496 HA MET 64 HA MET 64 8.230 -2.891 -4.230 497 HB2 MET 64 1HB MET 64 6.894 -4.237 -2.722 498 HB3 MET 64 2HB MET 64 7.773 -3.023 -1.804 499 HG2 MET 64 1HG MET 64 5.614 -1.634 -1.991 500 HG3 MET 64 2HG MET 64 4.855 -3.164 -2.424 501 HE1 MET 64 1HE MET 64 5.266 -5.207 -1.285 502 HE2 MET 64 2HE MET 64 5.945 -5.434 0.327 503 HE3 MET 64 3HE MET 64 4.225 -5.095 0.134 504 H ALA 65 H ALA 65 5.281 -0.993 -4.089 505 HA ALA 65 HA ALA 65 3.648 -2.725 -5.612 506 HB1 ALA 65 1HB ALA 65 2.673 -0.982 -4.261 507 HB2 ALA 65 2HB ALA 65 3.483 0.260 -5.217 508 HB3 ALA 65 3HB ALA 65 2.223 -0.734 -5.948 509 H ARG 66 H ARG 66 5.423 0.222 -6.560 510 HA ARG 66 HA ARG 66 4.834 0.129 -9.283 511 HB2 ARG 66 1HB ARG 66 7.211 1.248 -7.801 512 HB3 ARG 66 2HB ARG 66 6.985 1.456 -9.532 513 HG2 ARG 66 1HG ARG 66 4.839 2.580 -9.090 514 HG3 ARG 66 2HG ARG 66 5.143 2.426 -7.359 515 HD2 ARG 66 1HD ARG 66 6.943 3.869 -9.300 516 HD3 ARG 66 2HD ARG 66 5.740 4.652 -8.277 517 HE ARG 66 HE ARG 66 7.383 3.143 -6.619 518 HH11 ARG 66 1HH1 ARG 66 7.643 5.885 -8.747 519 HH12 ARG 66 2HH1 ARG 66 8.940 6.615 -7.861 520 HH21 ARG 66 1HH2 ARG 66 9.090 4.094 -5.443 521 HH22 ARG 66 2HH2 ARG 66 9.763 5.595 -5.982 522 H GLU 67 H GLU 67 7.804 -1.003 -7.657 523 HA GLU 67 HA GLU 67 9.047 -2.137 -9.854 524 HB2 GLU 67 1HB GLU 67 10.353 -3.441 -8.294 525 HB3 GLU 67 2HB GLU 67 10.098 -1.832 -7.633 526 HG2 GLU 67 1HG GLU 67 8.287 -2.720 -6.227 527 HG3 GLU 67 2HG GLU 67 8.616 -4.334 -6.857 528 H TRP 68 H TRP 68 6.511 -3.435 -7.805 529 HA TRP 68 HA TRP 68 6.619 -6.104 -8.718 530 HB2 TRP 68 1HB TRP 68 5.441 -5.578 -6.679 531 HB3 TRP 68 2HB TRP 68 4.346 -4.496 -7.537 532 HD1 TRP 68 HD TRP 68 5.174 -8.269 -7.318 533 HE1 TRP 68 1HE TRP 68 3.042 -9.588 -7.898 534 HE3 TRP 68 3HE TRP 68 2.126 -4.366 -8.581 535 HZ2 TRP 68 2HZ TRP 68 0.414 -9.045 -8.776 536 HZ3 TRP 68 3HZ TRP 68 -0.183 -4.850 -9.281 537 HH2 TRP 68 HH TRP 68 -1.019 -7.142 -9.376 538 H ARG 69 H ARG 69 4.518 -3.392 -9.679 539 HA ARG 69 HA ARG 69 3.096 -4.733 -11.672 540 HB2 ARG 69 1HB ARG 69 3.671 -1.884 -11.040 541 HB3 ARG 69 2HB ARG 69 3.048 -2.245 -12.645 542 HG2 ARG 69 1HG ARG 69 1.660 -3.378 -10.266 543 HG3 ARG 69 2HG ARG 69 1.430 -1.678 -10.675 544 HD2 ARG 69 1HD ARG 69 1.042 -2.707 -13.090 545 HD3 ARG 69 2HD ARG 69 0.595 -4.123 -12.140 546 HE ARG 69 HE ARG 69 -0.828 -2.152 -10.976 547 HH11 ARG 69 1HH1 ARG 69 -0.449 -3.160 -14.286 548 HH12 ARG 69 2HH1 ARG 69 -2.038 -2.656 -14.757 549 HH21 ARG 69 1HH2 ARG 69 -2.922 -1.484 -11.584 550 HH22 ARG 69 2HH2 ARG 69 -3.443 -1.702 -13.220 551 H ALA 70 H ALA 70 6.187 -3.041 -11.789 552 HA ALA 70 HA ALA 70 6.514 -3.119 -14.597 553 HB1 ALA 70 1HB ALA 70 8.307 -1.896 -14.131 554 HB2 ALA 70 2HB ALA 70 7.933 -2.089 -12.418 555 HB3 ALA 70 3HB ALA 70 9.033 -3.215 -13.213 556 H ALA 71 H ALA 71 7.796 -5.214 -12.016 557 HA ALA 71 HA ALA 71 9.108 -7.016 -13.753 558 HB1 ALA 71 1HB ALA 71 8.860 -6.669 -10.981 559 HB2 ALA 71 2HB ALA 71 8.294 -8.304 -11.324 560 HB3 ALA 71 3HB ALA 71 9.905 -7.803 -11.838 561 H GLN 72 H GLN 72 5.853 -6.904 -12.423 562 HA GLN 72 HA GLN 72 5.111 -9.519 -13.285 563 HB2 GLN 72 1HB GLN 72 3.525 -7.120 -12.385 564 HB3 GLN 72 2HB GLN 72 2.757 -8.621 -12.883 565 HG2 GLN 72 1HG GLN 72 4.662 -8.244 -10.587 566 HG3 GLN 72 2HG GLN 72 2.930 -8.560 -10.491 567 HE21 GLN 72 1HE2 GLN 72 5.016 -10.092 -9.293 568 HE22 GLN 72 2HE2 GLN 72 4.944 -11.679 -9.971 569 H GLY 73 H GLY 73 5.197 -6.385 -14.770 570 HA2 GLY 73 1HA GLY 73 5.098 -7.165 -17.371 571 HA3 GLY 73 2HA GLY 73 3.402 -7.065 -16.921 572 H LYS 74 H LYS 74 6.407 -5.165 -16.790 573 HA LYS 74 HA LYS 74 5.372 -2.668 -16.302 574 HB2 LYS 74 1HB LYS 74 7.759 -3.054 -16.400 575 HB3 LYS 74 2HB LYS 74 7.667 -3.434 -18.115 576 HG2 LYS 74 1HG LYS 74 6.921 -1.112 -18.542 577 HG3 LYS 74 2HG LYS 74 7.166 -0.758 -16.831 578 HD2 LYS 74 1HD LYS 74 9.452 -0.861 -16.997 579 HD3 LYS 74 2HD LYS 74 9.408 -1.980 -18.363 580 HE2 LYS 74 1HE LYS 74 9.067 -0.295 -19.901 581 HE3 LYS 74 2HE LYS 74 8.366 0.796 -18.706 582 HZ1 LYS 74 1HZ LYS 74 10.877 0.472 -17.790 583 HZ2 LYS 74 2HZ LYS 74 10.364 1.762 -18.755 584 HZ3 LYS 74 3HZ LYS 74 11.122 0.426 -19.463 585 H ASP 75 H ASP 75 4.897 -0.866 -17.702 586 HA ASP 75 HA ASP 75 2.906 -1.305 -19.544 587 HB2 ASP 75 1HB ASP 75 3.518 0.888 -18.458 588 HB3 ASP 75 2HB ASP 75 4.803 1.044 -19.654 589 HA PRO 76 HA PRO 76 4.903 -2.826 -23.164 590 HB2 PRO 76 1HB PRO 76 2.961 -2.245 -24.969 591 HB3 PRO 76 2HB PRO 76 2.827 -3.570 -23.807 592 HG2 PRO 76 1HG PRO 76 1.658 -0.817 -23.684 593 HG3 PRO 76 2HG PRO 76 0.906 -2.371 -23.277 594 HD2 PRO 76 1HD PRO 76 1.887 -0.690 -21.394 595 HD3 PRO 76 2HD PRO 76 1.907 -2.455 -21.202 596 H GLY 77 H GLY 77 4.521 0.373 -22.434 597 HA2 GLY 77 1HA GLY 77 4.742 1.850 -24.727 598 HA3 GLY 77 2HA GLY 77 5.590 2.248 -23.240 599 HA PRO 78 HA PRO 78 8.547 1.118 -26.769 600 HB2 PRO 78 1HB PRO 78 9.564 3.600 -27.191 601 HB3 PRO 78 2HB PRO 78 8.154 2.979 -28.057 602 HG2 PRO 78 1HG PRO 78 8.269 4.804 -25.687 603 HG3 PRO 78 2HG PRO 78 7.244 4.909 -27.130 604 HD2 PRO 78 1HD PRO 78 6.342 3.935 -24.769 605 HD3 PRO 78 2HD PRO 78 5.750 3.345 -26.336 606 H SER 79 H SER 79 10.346 0.269 -25.951 607 HA SER 79 HA SER 79 11.464 1.216 -23.479 608 HB2 SER 79 1HB SER 79 13.049 -0.649 -23.736 609 HB3 SER 79 2HB SER 79 11.389 -1.187 -23.987 610 HG SER 79 HG SER 79 12.042 -0.614 -26.339 611 H GLU 80 H GLU 80 13.831 1.610 -23.259 612 HA GLU 80 HA GLU 80 14.705 3.415 -25.393 613 HB2 GLU 80 1HB GLU 80 15.701 3.127 -22.553 614 HB3 GLU 80 2HB GLU 80 16.257 4.327 -23.711 615 HG2 GLU 80 1HG GLU 80 13.858 5.124 -23.826 616 HG3 GLU 80 2HG GLU 80 13.557 4.108 -22.419 617 H LYS 81 H LYS 81 17.168 3.544 -25.637 618 HA LYS 81 HA LYS 81 18.370 0.863 -25.532 619 HB2 LYS 81 1HB LYS 81 19.244 1.101 -27.772 620 HB3 LYS 81 2HB LYS 81 17.498 1.309 -27.814 621 HG2 LYS 81 1HG LYS 81 18.099 3.046 -29.138 622 HG3 LYS 81 2HG LYS 81 18.169 3.860 -27.573 623 HD2 LYS 81 1HD LYS 81 20.624 3.193 -27.513 624 HD3 LYS 81 2HD LYS 81 20.443 2.779 -29.219 625 HE2 LYS 81 1HE LYS 81 19.792 5.479 -28.046 626 HE3 LYS 81 2HE LYS 81 21.331 5.073 -28.805 627 HZ1 LYS 81 1HZ LYS 81 19.490 4.298 -30.642 628 HZ2 LYS 81 2HZ LYS 81 20.369 5.741 -30.682 629 HZ3 LYS 81 3HZ LYS 81 18.815 5.717 -30.017 630 H GLN 82 H GLN 82 20.651 0.813 -25.416 631 HA GLN 82 HA GLN 82 21.777 3.135 -24.110 632 HB2 GLN 82 1HB GLN 82 22.098 0.618 -23.499 633 HB3 GLN 82 2HB GLN 82 23.331 0.653 -24.752 634 HG2 GLN 82 1HG GLN 82 24.675 2.123 -23.572 635 HG3 GLN 82 2HG GLN 82 23.345 2.682 -22.560 636 HE21 GLN 82 1HE2 GLN 82 23.825 2.162 -20.548 637 HE22 GLN 82 2HE2 GLN 82 24.366 0.615 -20.002 638 H LYS 83 H LYS 83 23.201 4.543 -24.942 639 HA LYS 83 HA LYS 83 24.024 4.135 -27.734 640 HB2 LYS 83 1HB LYS 83 24.319 6.575 -27.823 641 HB3 LYS 83 2HB LYS 83 22.681 6.135 -27.360 642 HG2 LYS 83 1HG LYS 83 23.695 6.393 -24.928 643 HG3 LYS 83 2HG LYS 83 24.813 7.459 -25.783 644 HD2 LYS 83 1HD LYS 83 21.842 7.703 -26.138 645 HD3 LYS 83 2HD LYS 83 22.672 8.483 -24.789 646 HE2 LYS 83 1HE LYS 83 24.202 9.532 -26.504 647 HE3 LYS 83 2HE LYS 83 23.090 8.936 -27.736 648 HZ1 LYS 83 1HZ LYS 83 22.750 11.294 -26.935 649 HZ2 LYS 83 2HZ LYS 83 22.179 10.630 -25.487 650 HZ3 LYS 83 3HZ LYS 83 21.380 10.301 -26.941 651 HA PRO 84 HA PRO 84 28.267 3.821 -26.645 652 HB2 PRO 84 1HB PRO 84 29.439 4.978 -28.803 653 HB3 PRO 84 2HB PRO 84 28.677 3.385 -28.863 654 HG2 PRO 84 1HG PRO 84 27.590 6.040 -29.721 655 HG3 PRO 84 2HG PRO 84 27.483 4.470 -30.539 656 HD2 PRO 84 1HD PRO 84 25.439 5.499 -29.092 657 HD3 PRO 84 2HD PRO 84 25.741 3.754 -29.211 658 H VAL 85 H VAL 85 30.342 5.196 -26.595 659 HA VAL 85 HA VAL 85 31.483 6.988 -25.771 660 HB VAL 85 HB VAL 85 29.192 8.734 -26.653 661 HG11 VAL 85 1HG1 VAL 85 30.588 10.478 -26.388 662 HG12 VAL 85 2HG1 VAL 85 31.459 9.379 -25.315 663 HG13 VAL 85 3HG1 VAL 85 31.985 9.582 -26.987 664 HG21 VAL 85 1HG2 VAL 85 29.658 7.390 -28.555 665 HG22 VAL 85 2HG2 VAL 85 30.470 8.934 -28.814 666 HG23 VAL 85 3HG2 VAL 85 31.398 7.523 -28.306 667 H PHE 86 H PHE 86 29.862 5.539 -24.002 668 HA PHE 86 HA PHE 86 29.518 7.525 -21.922 669 HB2 PHE 86 1HB PHE 86 27.245 6.067 -23.173 670 HB3 PHE 86 2HB PHE 86 27.221 6.254 -21.422 671 HD1 PHE 86 2HD PHE 86 27.447 8.608 -20.480 672 HD2 PHE 86 1HD PHE 86 26.564 7.800 -24.564 673 HE1 PHE 86 2HE PHE 86 26.561 10.889 -20.735 674 HE2 PHE 86 1HE PHE 86 25.678 10.080 -24.827 675 HZ PHE 86 HZ PHE 86 25.674 11.627 -22.911 676 H THR 87 H THR 87 30.631 6.725 -20.280 677 HA THR 87 HA THR 87 30.208 3.951 -19.473 678 HB THR 87 HB THR 87 33.010 5.050 -19.702 679 HG1 THR 87 1HG THR 87 32.986 4.471 -21.731 680 HG21 THR 87 1HG2 THR 87 33.730 2.864 -19.201 681 HG22 THR 87 2HG2 THR 87 32.131 2.180 -19.497 682 HG23 THR 87 3HG2 THR 87 32.414 3.176 -18.069 683 H SER 88 H SER 88 30.383 3.605 -17.291 684 HA SER 88 HA SER 88 30.468 5.990 -15.637 685 HB2 SER 88 1HB SER 88 28.792 3.980 -15.472 686 HB3 SER 88 2HB SER 88 30.085 3.222 -14.542 687 HG SER 88 HG SER 88 28.336 5.124 -13.783 688 H GLY 89 H GLY 89 32.098 2.819 -15.722 689 HA2 GLY 89 1HA GLY 89 34.557 2.858 -15.539 690 HA3 GLY 89 2HA GLY 89 34.356 4.080 -14.291 691 HA PRO 90 HA PRO 90 32.954 -0.205 -12.470 692 HB2 PRO 90 1HB PRO 90 33.893 -2.374 -13.805 693 HB3 PRO 90 2HB PRO 90 32.324 -1.638 -14.153 694 HG2 PRO 90 1HG PRO 90 34.931 -1.307 -15.586 695 HG3 PRO 90 2HG PRO 90 33.303 -1.518 -16.259 696 HD2 PRO 90 1HD PRO 90 34.510 0.901 -16.096 697 HD3 PRO 90 2HD PRO 90 32.753 0.699 -15.951 698 H SER 91 H SER 91 34.499 0.569 -10.964 699 HA SER 91 HA SER 91 37.247 -0.383 -11.247 700 HB2 SER 91 1HB SER 91 36.849 1.968 -10.557 701 HB3 SER 91 2HB SER 91 36.035 1.384 -9.107 702 HG SER 91 HG SER 91 38.677 1.668 -9.586 703 H SER 92 H SER 92 37.150 -2.558 -10.826 704 HA SER 92 HA SER 92 36.321 -3.300 -8.098 705 HB2 SER 92 1HB SER 92 35.834 -4.699 -10.709 706 HB3 SER 92 2HB SER 92 35.942 -5.633 -9.217 707 HG SER 92 HG SER 92 34.258 -3.378 -9.403 708 H GLY 93 H GLY 93 37.502 -5.048 -7.122 709 HA2 GLY 93 1HA GLY 93 40.094 -5.638 -8.389 710 HA3 GLY 93 2HA GLY 93 40.048 -5.010 -6.747 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.435 7.301 -10.195 2 HA2 GLY 1 1HA GLY 1 0.681 8.492 -11.072 3 HA3 GLY 1 2HA GLY 1 0.438 9.117 -9.447 4 H SER 2 H SER 2 0.305 10.358 -12.193 5 HA SER 2 HA SER 2 2.429 12.345 -12.072 6 HB2 SER 2 1HB SER 2 0.141 12.111 -14.040 7 HB3 SER 2 2HB SER 2 1.569 13.132 -14.206 8 HG SER 2 HG SER 2 2.688 11.461 -14.839 9 H SER 3 H SER 3 2.187 14.007 -10.743 10 HA SER 3 HA SER 3 -0.325 15.490 -10.764 11 HB2 SER 3 1HB SER 3 -0.258 13.779 -8.825 12 HB3 SER 3 2HB SER 3 0.949 14.849 -8.112 13 HG SER 3 HG SER 3 -1.327 15.227 -7.522 14 H GLY 4 H GLY 4 -0.126 17.658 -9.930 15 HA2 GLY 4 1HA GLY 4 2.098 18.883 -8.888 16 HA3 GLY 4 2HA GLY 4 2.389 18.842 -10.620 17 H SER 5 H SER 5 1.378 20.283 -11.926 18 HA SER 5 HA SER 5 0.505 22.699 -11.005 19 HB2 SER 5 1HB SER 5 -0.630 22.971 -13.233 20 HB3 SER 5 2HB SER 5 1.041 22.415 -13.334 21 HG SER 5 HG SER 5 -0.852 21.297 -14.541 22 H SER 6 H SER 6 -1.562 19.951 -11.915 23 HA SER 6 HA SER 6 -3.706 21.151 -10.288 24 HB2 SER 6 1HB SER 6 -4.470 21.370 -12.520 25 HB3 SER 6 2HB SER 6 -3.884 19.766 -12.961 26 HG SER 6 HG SER 6 -5.843 19.159 -12.518 27 H GLY 7 H GLY 7 -4.971 19.753 -9.055 28 HA2 GLY 7 1HA GLY 7 -3.946 16.986 -8.872 29 HA3 GLY 7 2HA GLY 7 -4.356 17.941 -7.454 30 H MET 8 H MET 8 -5.499 15.803 -9.843 31 HA MET 8 HA MET 8 -8.239 16.107 -8.806 32 HB2 MET 8 1HB MET 8 -9.094 15.414 -10.989 33 HB3 MET 8 2HB MET 8 -8.117 16.869 -11.131 34 HG2 MET 8 1HG MET 8 -7.320 15.691 -12.900 35 HG3 MET 8 2HG MET 8 -6.209 15.140 -11.649 36 HE1 MET 8 1HE MET 8 -6.748 12.631 -14.302 37 HE2 MET 8 2HE MET 8 -5.630 13.634 -13.378 38 HE3 MET 8 3HE MET 8 -5.948 11.973 -12.875 39 HA PRO 9 HA PRO 9 -8.087 11.879 -7.629 40 HB2 PRO 9 1HB PRO 9 -10.694 11.175 -7.912 41 HB3 PRO 9 2HB PRO 9 -10.117 12.220 -6.608 42 HG2 PRO 9 1HG PRO 9 -11.438 12.966 -9.188 43 HG3 PRO 9 2HG PRO 9 -11.721 13.608 -7.561 44 HD2 PRO 9 1HD PRO 9 -10.212 14.906 -9.397 45 HD3 PRO 9 2HD PRO 9 -9.885 15.000 -7.655 46 H ASN 10 H ASN 10 -6.859 10.877 -9.223 47 HA ASN 10 HA ASN 10 -7.532 10.372 -11.847 48 HB2 ASN 10 1HB ASN 10 -5.790 8.943 -9.872 49 HB3 ASN 10 2HB ASN 10 -6.067 8.228 -11.457 50 HD21 ASN 10 1HD2 ASN 10 -4.650 10.869 -9.708 51 HD22 ASN 10 2HD2 ASN 10 -3.685 11.477 -11.004 52 H ARG 11 H ARG 11 -9.523 9.662 -12.381 53 HA ARG 11 HA ARG 11 -10.816 7.539 -10.916 54 HB2 ARG 11 1HB ARG 11 -12.642 7.836 -12.539 55 HB3 ARG 11 2HB ARG 11 -12.158 9.362 -11.813 56 HG2 ARG 11 1HG ARG 11 -11.038 10.050 -13.779 57 HG3 ARG 11 2HG ARG 11 -11.151 8.438 -14.486 58 HD2 ARG 11 1HD ARG 11 -13.484 8.639 -14.807 59 HD3 ARG 11 2HD ARG 11 -13.575 10.069 -13.779 60 HE ARG 11 HE ARG 11 -11.916 10.819 -15.798 61 HH11 ARG 11 1HH1 ARG 11 -15.122 9.467 -15.660 62 HH12 ARG 11 2HH1 ARG 11 -15.648 10.233 -17.123 63 HH21 ARG 11 1HH2 ARG 11 -12.598 11.833 -17.724 64 HH22 ARG 11 2HH2 ARG 11 -14.212 11.578 -18.296 65 H LYS 12 H LYS 12 -8.461 6.550 -11.808 66 HA LYS 12 HA LYS 12 -9.323 4.647 -13.878 67 HB2 LYS 12 1HB LYS 12 -6.832 6.289 -13.771 68 HB3 LYS 12 2HB LYS 12 -6.735 4.664 -14.436 69 HG2 LYS 12 1HG LYS 12 -8.701 6.722 -15.401 70 HG3 LYS 12 2HG LYS 12 -7.096 6.503 -16.103 71 HD2 LYS 12 1HD LYS 12 -9.038 4.226 -15.833 72 HD3 LYS 12 2HD LYS 12 -9.055 5.304 -17.230 73 HE2 LYS 12 1HE LYS 12 -7.043 4.543 -18.013 74 HE3 LYS 12 2HE LYS 12 -6.463 4.098 -16.409 75 HZ1 LYS 12 1HZ LYS 12 -7.924 2.195 -16.424 76 HZ2 LYS 12 2HZ LYS 12 -6.935 2.159 -17.795 77 HZ3 LYS 12 3HZ LYS 12 -8.553 2.636 -17.932 78 H ALA 13 H ALA 13 -7.828 2.681 -13.905 79 HA ALA 13 HA ALA 13 -7.626 1.707 -11.181 80 HB1 ALA 13 1HB ALA 13 -8.235 -0.199 -12.133 81 HB2 ALA 13 2HB ALA 13 -8.128 0.547 -13.727 82 HB3 ALA 13 3HB ALA 13 -6.713 -0.238 -13.025 83 H SER 14 H SER 14 -5.840 2.775 -10.329 84 HA SER 14 HA SER 14 -3.251 1.887 -11.415 85 HB2 SER 14 1HB SER 14 -4.156 4.637 -10.714 86 HB3 SER 14 2HB SER 14 -2.492 4.200 -10.319 87 HG SER 14 HG SER 14 -2.717 5.103 -12.430 88 H ARG 15 H ARG 15 -3.016 0.245 -9.925 89 HA ARG 15 HA ARG 15 -3.512 0.474 -7.165 90 HB2 ARG 15 1HB ARG 15 -1.551 -1.371 -8.540 91 HB3 ARG 15 2HB ARG 15 -2.242 -1.589 -6.937 92 HG2 ARG 15 1HG ARG 15 -4.452 -1.867 -7.905 93 HG3 ARG 15 2HG ARG 15 -3.794 -1.591 -9.519 94 HD2 ARG 15 1HD ARG 15 -2.194 -3.573 -8.805 95 HD3 ARG 15 2HD ARG 15 -3.541 -3.956 -7.734 96 HE ARG 15 HE ARG 15 -3.427 -4.404 -10.525 97 HH11 ARG 15 1HH1 ARG 15 -5.603 -3.416 -7.994 98 HH12 ARG 15 2HH1 ARG 15 -7.021 -3.985 -8.812 99 HH21 ARG 15 1HH2 ARG 15 -5.285 -5.157 -11.612 100 HH22 ARG 15 2HH2 ARG 15 -6.839 -4.975 -10.870 101 H ASN 16 H ASN 16 -2.518 1.769 -5.778 102 HA ASN 16 HA ASN 16 0.367 2.257 -6.131 103 HB2 ASN 16 1HB ASN 16 -1.876 4.109 -5.492 104 HB3 ASN 16 2HB ASN 16 -0.330 4.403 -4.699 105 HD21 ASN 16 1HD2 ASN 16 1.535 4.726 -6.040 106 HD22 ASN 16 2HD2 ASN 16 1.350 5.393 -7.623 107 H ALA 17 H ALA 17 1.225 3.237 -3.902 108 HA ALA 17 HA ALA 17 1.576 1.249 -2.111 109 HB1 ALA 17 1HB ALA 17 1.279 3.831 -0.763 110 HB2 ALA 17 2HB ALA 17 2.681 2.768 -0.888 111 HB3 ALA 17 3HB ALA 17 2.296 3.878 -2.203 112 H TYR 18 H TYR 18 -1.076 3.604 -2.040 113 HA TYR 18 HA TYR 18 -2.259 2.809 0.358 114 HB2 TYR 18 1HB TYR 18 -2.852 4.857 -0.935 115 HB3 TYR 18 2HB TYR 18 -3.688 3.837 -2.102 116 HD1 TYR 18 2HD TYR 18 -3.636 4.600 1.553 117 HD2 TYR 18 1HD TYR 18 -5.952 3.431 -1.819 118 HE1 TYR 18 2HE TYR 18 -5.677 4.723 2.919 119 HE2 TYR 18 1HE TYR 18 -8.000 3.551 -0.462 120 HH TYR 18 HH TYR 18 -8.827 3.784 1.606 121 H TYR 19 H TYR 19 -2.989 1.748 -2.961 122 HA TYR 19 HA TYR 19 -5.023 -0.039 -2.409 123 HB2 TYR 19 1HB TYR 19 -4.358 0.601 -4.686 124 HB3 TYR 19 2HB TYR 19 -2.862 -0.310 -4.510 125 HD1 TYR 19 2HD TYR 19 -6.551 -0.648 -4.651 126 HD2 TYR 19 1HD TYR 19 -2.796 -2.626 -4.948 127 HE1 TYR 19 2HE TYR 19 -7.685 -2.659 -5.497 128 HE2 TYR 19 1HE TYR 19 -3.920 -4.643 -5.797 129 HH TYR 19 HH TYR 19 -7.420 -4.895 -5.888 130 H PHE 20 H PHE 20 -1.525 -0.671 -2.504 131 HA PHE 20 HA PHE 20 -1.631 -3.400 -1.912 132 HB2 PHE 20 1HB PHE 20 0.439 -1.272 -1.718 133 HB3 PHE 20 2HB PHE 20 0.732 -2.764 -0.832 134 HD1 PHE 20 2HD PHE 20 -0.447 -1.717 -4.216 135 HD2 PHE 20 1HD PHE 20 1.949 -4.373 -1.910 136 HE1 PHE 20 2HE PHE 20 0.358 -2.780 -6.284 137 HE2 PHE 20 1HE PHE 20 2.760 -5.439 -3.973 138 HZ PHE 20 HZ PHE 20 1.963 -4.644 -6.164 139 H PHE 21 H PHE 21 -1.592 -0.577 0.196 140 HA PHE 21 HA PHE 21 -1.249 -1.955 2.633 141 HB2 PHE 21 1HB PHE 21 -0.848 0.390 2.627 142 HB3 PHE 21 2HB PHE 21 -2.444 0.733 1.967 143 HD1 PHE 21 1HD PHE 21 -0.680 -0.522 4.971 144 HD2 PHE 21 2HD PHE 21 -4.270 1.118 3.378 145 HE1 PHE 21 1HE PHE 21 -1.548 -0.214 7.253 146 HE2 PHE 21 2HE PHE 21 -5.144 1.428 5.657 147 HZ PHE 21 HZ PHE 21 -3.782 0.763 7.599 148 H VAL 22 H VAL 22 -4.185 -0.750 1.024 149 HA VAL 22 HA VAL 22 -6.017 -1.699 2.928 150 HB VAL 22 HB VAL 22 -6.439 -1.253 -0.031 151 HG11 VAL 22 1HG1 VAL 22 -8.373 -1.675 2.235 152 HG12 VAL 22 2HG1 VAL 22 -8.838 -0.939 0.700 153 HG13 VAL 22 3HG1 VAL 22 -8.230 -2.594 0.737 154 HG21 VAL 22 1HG2 VAL 22 -6.931 0.949 0.418 155 HG22 VAL 22 2HG2 VAL 22 -7.323 0.632 2.108 156 HG23 VAL 22 3HG2 VAL 22 -5.639 0.652 1.581 157 H GLN 23 H GLN 23 -4.470 -3.248 0.193 158 HA GLN 23 HA GLN 23 -6.139 -5.510 0.014 159 HB2 GLN 23 1HB GLN 23 -4.424 -4.745 -1.680 160 HB3 GLN 23 2HB GLN 23 -3.192 -5.430 -0.629 161 HG2 GLN 23 1HG GLN 23 -3.579 -7.086 -2.212 162 HG3 GLN 23 2HG GLN 23 -4.504 -7.610 -0.806 163 HE21 GLN 23 1HE2 GLN 23 -5.046 -5.392 -3.527 164 HE22 GLN 23 2HE2 GLN 23 -6.581 -6.046 -3.976 165 H GLU 24 H GLU 24 -3.225 -4.856 1.904 166 HA GLU 24 HA GLU 24 -3.141 -7.506 3.020 167 HB2 GLU 24 1HB GLU 24 -1.593 -4.977 3.433 168 HB3 GLU 24 2HB GLU 24 -1.466 -6.272 4.615 169 HG2 GLU 24 1HG GLU 24 -0.863 -6.509 1.676 170 HG3 GLU 24 2HG GLU 24 0.326 -6.372 2.969 171 H LYS 25 H LYS 25 -5.399 -5.352 3.414 172 HA LYS 25 HA LYS 25 -5.649 -5.779 6.320 173 HB2 LYS 25 1HB LYS 25 -6.543 -3.439 4.636 174 HB3 LYS 25 2HB LYS 25 -7.104 -3.706 6.281 175 HG2 LYS 25 1HG LYS 25 -4.175 -3.626 5.739 176 HG3 LYS 25 2HG LYS 25 -5.090 -2.118 5.799 177 HD2 LYS 25 1HD LYS 25 -5.812 -2.568 8.036 178 HD3 LYS 25 2HD LYS 25 -5.144 -4.201 7.979 179 HE2 LYS 25 1HE LYS 25 -2.885 -3.117 7.620 180 HE3 LYS 25 2HE LYS 25 -3.656 -1.584 8.025 181 HZ1 LYS 25 1HZ LYS 25 -4.438 -3.060 10.079 182 HZ2 LYS 25 2HZ LYS 25 -3.001 -2.169 10.085 183 HZ3 LYS 25 3HZ LYS 25 -2.966 -3.825 9.744 184 H ILE 26 H ILE 26 -7.120 -6.011 3.196 185 HA ILE 26 HA ILE 26 -9.778 -6.183 3.563 186 HB ILE 26 HB ILE 26 -7.908 -7.756 1.886 187 HG12 ILE 26 1HG1 ILE 26 -10.481 -6.311 1.226 188 HG13 ILE 26 2HG1 ILE 26 -8.900 -5.536 1.260 189 HG21 ILE 26 1HG2 ILE 26 -9.308 -9.550 2.610 190 HG22 ILE 26 2HG2 ILE 26 -10.762 -8.582 2.372 191 HG23 ILE 26 3HG2 ILE 26 -9.811 -9.100 0.981 192 HD11 ILE 26 1HD1 ILE 26 -8.949 -7.926 -0.391 193 HD12 ILE 26 2HD1 ILE 26 -10.087 -6.687 -0.923 194 HD13 ILE 26 3HD1 ILE 26 -8.374 -6.300 -0.759 195 HA PRO 27 HA PRO 27 -9.575 -10.673 5.337 196 HB2 PRO 27 1HB PRO 27 -7.130 -11.633 6.023 197 HB3 PRO 27 2HB PRO 27 -7.823 -11.835 4.410 198 HG2 PRO 27 1HG PRO 27 -5.816 -9.833 5.371 199 HG3 PRO 27 2HG PRO 27 -5.831 -10.768 3.864 200 HD2 PRO 27 1HD PRO 27 -6.618 -8.180 3.981 201 HD3 PRO 27 2HD PRO 27 -7.334 -9.346 2.849 202 H GLU 28 H GLU 28 -7.476 -8.158 6.519 203 HA GLU 28 HA GLU 28 -7.403 -9.019 9.235 204 HB2 GLU 28 1HB GLU 28 -5.745 -7.466 8.176 205 HB3 GLU 28 2HB GLU 28 -6.989 -6.224 8.166 206 HG2 GLU 28 1HG GLU 28 -5.857 -5.695 10.077 207 HG3 GLU 28 2HG GLU 28 -7.124 -6.739 10.718 208 H LEU 29 H LEU 29 -9.402 -6.738 7.416 209 HA LEU 29 HA LEU 29 -10.896 -5.879 9.699 210 HB2 LEU 29 1HB LEU 29 -11.465 -5.636 6.749 211 HB3 LEU 29 2HB LEU 29 -12.394 -4.845 8.020 212 HG LEU 29 HG LEU 29 -9.456 -4.345 7.601 213 HD11 LEU 29 1HD1 LEU 29 -9.854 -2.998 5.882 214 HD12 LEU 29 2HD1 LEU 29 -11.185 -2.210 6.727 215 HD13 LEU 29 3HD1 LEU 29 -11.477 -3.683 5.803 216 HD21 LEU 29 1HD2 LEU 29 -11.633 -2.836 9.046 217 HD22 LEU 29 2HD2 LEU 29 -9.972 -2.278 8.841 218 HD23 LEU 29 3HD2 LEU 29 -10.305 -3.731 9.784 219 H ARG 30 H ARG 30 -11.354 -8.277 7.157 220 HA ARG 30 HA ARG 30 -13.999 -8.945 7.496 221 HB2 ARG 30 1HB ARG 30 -11.573 -10.448 6.657 222 HB3 ARG 30 2HB ARG 30 -13.017 -11.382 7.026 223 HG2 ARG 30 1HG ARG 30 -14.266 -10.277 5.336 224 HG3 ARG 30 2HG ARG 30 -12.989 -9.084 5.089 225 HD2 ARG 30 1HD ARG 30 -12.717 -10.564 3.309 226 HD3 ARG 30 2HD ARG 30 -11.511 -11.093 4.481 227 HE ARG 30 HE ARG 30 -13.882 -12.528 3.647 228 HH11 ARG 30 1HH1 ARG 30 -11.333 -12.222 5.999 229 HH12 ARG 30 2HH1 ARG 30 -11.474 -13.857 6.556 230 HH21 ARG 30 1HH2 ARG 30 -14.077 -14.680 4.372 231 HH22 ARG 30 2HH2 ARG 30 -13.035 -15.254 5.629 232 H ARG 31 H ARG 31 -11.223 -9.962 9.429 233 HA ARG 31 HA ARG 31 -12.723 -11.753 11.075 234 HB2 ARG 31 1HB ARG 31 -9.967 -10.568 11.220 235 HB3 ARG 31 2HB ARG 31 -10.621 -11.483 12.573 236 HG2 ARG 31 1HG ARG 31 -10.566 -12.617 9.800 237 HG3 ARG 31 2HG ARG 31 -9.168 -12.718 10.874 238 HD2 ARG 31 1HD ARG 31 -11.925 -13.689 11.604 239 HD3 ARG 31 2HD ARG 31 -10.674 -14.719 10.910 240 HE ARG 31 HE ARG 31 -9.833 -13.316 13.272 241 HH11 ARG 31 1HH1 ARG 31 -11.424 -16.158 12.042 242 HH12 ARG 31 2HH1 ARG 31 -11.089 -17.114 13.449 243 HH21 ARG 31 1HH2 ARG 31 -9.386 -14.562 15.129 244 HH22 ARG 31 2HH2 ARG 31 -9.930 -16.205 15.205 245 H ARG 32 H ARG 32 -11.710 -8.388 11.314 246 HA ARG 32 HA ARG 32 -12.321 -7.901 13.983 247 HB2 ARG 32 1HB ARG 32 -12.256 -6.187 11.529 248 HB3 ARG 32 2HB ARG 32 -12.860 -5.516 13.038 249 HG2 ARG 32 1HG ARG 32 -10.619 -6.476 14.000 250 HG3 ARG 32 2HG ARG 32 -10.108 -6.382 12.313 251 HD2 ARG 32 1HD ARG 32 -10.588 -4.030 12.241 252 HD3 ARG 32 2HD ARG 32 -11.307 -4.084 13.851 253 HE ARG 32 HE ARG 32 -8.750 -4.975 14.207 254 HH11 ARG 32 1HH1 ARG 32 -10.200 -2.108 12.867 255 HH12 ARG 32 2HH1 ARG 32 -8.878 -1.077 13.304 256 HH21 ARG 32 1HH2 ARG 32 -7.002 -3.628 14.787 257 HH22 ARG 32 2HH2 ARG 32 -7.059 -1.943 14.395 258 H GLY 33 H GLY 33 -14.410 -7.746 11.119 259 HA2 GLY 33 1HA GLY 33 -16.712 -8.630 11.554 260 HA3 GLY 33 2HA GLY 33 -16.727 -7.555 12.944 261 H LEU 34 H LEU 34 -15.662 -7.041 9.589 262 HA LEU 34 HA LEU 34 -17.731 -4.965 9.337 263 HB2 LEU 34 1HB LEU 34 -14.825 -4.783 8.577 264 HB3 LEU 34 2HB LEU 34 -16.050 -3.661 7.991 265 HG LEU 34 HG LEU 34 -15.418 -4.065 10.910 266 HD11 LEU 34 1HD1 LEU 34 -13.431 -3.169 10.147 267 HD12 LEU 34 2HD1 LEU 34 -14.360 -1.723 10.540 268 HD13 LEU 34 3HD1 LEU 34 -14.215 -2.249 8.863 269 HD21 LEU 34 1HD2 LEU 34 -16.650 -2.028 11.229 270 HD22 LEU 34 2HD2 LEU 34 -17.655 -3.163 10.326 271 HD23 LEU 34 3HD2 LEU 34 -16.858 -1.830 9.488 272 HA PRO 35 HA PRO 35 -18.749 -6.986 5.560 273 HB2 PRO 35 1HB PRO 35 -20.014 -4.939 4.306 274 HB3 PRO 35 2HB PRO 35 -20.733 -5.831 5.652 275 HG2 PRO 35 1HG PRO 35 -19.340 -3.180 5.665 276 HG3 PRO 35 2HG PRO 35 -20.824 -3.669 6.504 277 HD2 PRO 35 1HD PRO 35 -18.422 -3.536 7.748 278 HD3 PRO 35 2HD PRO 35 -19.668 -4.717 8.201 279 H VAL 36 H VAL 36 -16.410 -7.081 5.000 280 HA VAL 36 HA VAL 36 -15.791 -5.230 2.790 281 HB VAL 36 HB VAL 36 -13.342 -5.875 3.343 282 HG11 VAL 36 1HG1 VAL 36 -13.807 -3.641 3.600 283 HG12 VAL 36 2HG1 VAL 36 -15.097 -3.931 4.769 284 HG13 VAL 36 3HG1 VAL 36 -13.409 -4.088 5.258 285 HG21 VAL 36 1HG2 VAL 36 -14.301 -7.569 5.091 286 HG22 VAL 36 2HG2 VAL 36 -12.816 -6.681 5.434 287 HG23 VAL 36 3HG2 VAL 36 -14.343 -6.152 6.140 288 H ALA 37 H ALA 37 -16.044 -6.290 0.939 289 HA ALA 37 HA ALA 37 -15.394 -9.148 0.816 290 HB1 ALA 37 1HB ALA 37 -16.496 -8.396 -1.627 291 HB2 ALA 37 2HB ALA 37 -17.311 -9.238 -0.309 292 HB3 ALA 37 3HB ALA 37 -17.400 -7.480 -0.420 293 H ARG 38 H ARG 38 -14.584 -6.037 -0.606 294 HA ARG 38 HA ARG 38 -12.171 -7.246 -1.743 295 HB2 ARG 38 1HB ARG 38 -12.457 -5.976 -3.837 296 HB3 ARG 38 2HB ARG 38 -13.742 -7.152 -3.596 297 HG2 ARG 38 1HG ARG 38 -15.162 -5.294 -2.709 298 HG3 ARG 38 2HG ARG 38 -13.892 -4.175 -3.207 299 HD2 ARG 38 1HD ARG 38 -15.651 -4.322 -4.893 300 HD3 ARG 38 2HD ARG 38 -14.119 -4.932 -5.515 301 HE ARG 38 HE ARG 38 -15.368 -7.159 -4.599 302 HH11 ARG 38 1HH1 ARG 38 -16.276 -4.602 -6.781 303 HH12 ARG 38 2HH1 ARG 38 -17.314 -5.609 -7.736 304 HH21 ARG 38 1HH2 ARG 38 -16.731 -8.495 -5.848 305 HH22 ARG 38 2HH2 ARG 38 -17.572 -7.823 -7.205 306 H VAL 39 H VAL 39 -10.722 -5.385 -2.641 307 HA VAL 39 HA VAL 39 -9.881 -3.810 -0.535 308 HB VAL 39 HB VAL 39 -9.509 -3.352 -3.496 309 HG11 VAL 39 1HG1 VAL 39 -7.382 -2.151 -2.299 310 HG12 VAL 39 2HG1 VAL 39 -8.820 -1.306 -2.876 311 HG13 VAL 39 3HG1 VAL 39 -8.683 -1.757 -1.176 312 HG21 VAL 39 1HG2 VAL 39 -7.639 -4.524 -1.440 313 HG22 VAL 39 2HG2 VAL 39 -8.612 -5.467 -2.569 314 HG23 VAL 39 3HG2 VAL 39 -7.354 -4.391 -3.175 315 H ALA 40 H ALA 40 -11.907 -2.837 -3.294 316 HA ALA 40 HA ALA 40 -12.240 -0.166 -2.738 317 HB1 ALA 40 1HB ALA 40 -14.757 -1.018 -3.592 318 HB2 ALA 40 2HB ALA 40 -13.432 -0.424 -4.594 319 HB3 ALA 40 3HB ALA 40 -13.612 -2.155 -4.305 320 H ASP 41 H ASP 41 -13.815 -2.924 -1.230 321 HA ASP 41 HA ASP 41 -15.707 -1.377 0.250 322 HB2 ASP 41 1HB ASP 41 -14.795 -4.231 0.309 323 HB3 ASP 41 2HB ASP 41 -15.783 -3.604 1.626 324 H ALA 42 H ALA 42 -12.473 -2.597 0.847 325 HA ALA 42 HA ALA 42 -12.519 -1.764 3.627 326 HB1 ALA 42 1HB ALA 42 -10.128 -2.739 2.085 327 HB2 ALA 42 2HB ALA 42 -10.390 -2.766 3.830 328 HB3 ALA 42 3HB ALA 42 -11.328 -3.829 2.780 329 H ILE 43 H ILE 43 -11.975 -0.299 0.665 330 HA ILE 43 HA ILE 43 -9.811 1.350 0.937 331 HB ILE 43 HB ILE 43 -12.437 1.650 -0.410 332 HG12 ILE 43 1HG1 ILE 43 -9.560 1.955 -1.298 333 HG13 ILE 43 2HG1 ILE 43 -10.559 0.521 -1.504 334 HG21 ILE 43 1HG2 ILE 43 -11.470 3.963 -1.201 335 HG22 ILE 43 2HG2 ILE 43 -12.461 3.841 0.251 336 HG23 ILE 43 3HG2 ILE 43 -10.705 3.935 0.387 337 HD11 ILE 43 1HD1 ILE 43 -10.491 3.017 -3.043 338 HD12 ILE 43 2HD1 ILE 43 -10.896 1.376 -3.546 339 HD13 ILE 43 3HD1 ILE 43 -12.098 2.366 -2.721 340 HA PRO 44 HA PRO 44 -12.438 4.579 3.395 341 HB2 PRO 44 1HB PRO 44 -14.855 3.764 4.323 342 HB3 PRO 44 2HB PRO 44 -14.638 4.510 2.736 343 HG2 PRO 44 1HG PRO 44 -14.898 1.614 3.448 344 HG3 PRO 44 2HG PRO 44 -15.640 2.509 2.109 345 HD2 PRO 44 1HD PRO 44 -13.450 0.949 1.783 346 HD3 PRO 44 2HD PRO 44 -13.731 2.415 0.822 347 H TYR 45 H TYR 45 -12.845 1.198 4.350 348 HA TYR 45 HA TYR 45 -12.682 1.780 7.163 349 HB2 TYR 45 1HB TYR 45 -12.400 -0.904 5.803 350 HB3 TYR 45 2HB TYR 45 -12.810 -0.603 7.488 351 HD1 TYR 45 2HD TYR 45 -14.893 1.349 7.440 352 HD2 TYR 45 1HD TYR 45 -14.204 -1.847 4.718 353 HE1 TYR 45 2HE TYR 45 -17.285 1.331 6.865 354 HE2 TYR 45 1HE TYR 45 -16.593 -1.873 4.135 355 HH TYR 45 HH TYR 45 -18.733 0.618 5.039 356 H CYS 46 H CYS 46 -10.437 2.229 5.014 357 HA CYS 46 HA CYS 46 -8.278 1.206 6.734 358 HB2 CYS 46 1HB CYS 46 -8.493 1.151 3.735 359 HB3 CYS 46 2HB CYS 46 -6.921 1.150 4.527 360 HG CYS 46 HG CYS 46 -8.300 -1.155 6.124 361 H SER 47 H SER 47 -9.276 3.651 4.380 362 HA SER 47 HA SER 47 -7.241 5.363 4.187 363 HB2 SER 47 1HB SER 47 -9.501 5.830 3.311 364 HB3 SER 47 2HB SER 47 -10.048 6.218 4.942 365 HG SER 47 HG SER 47 -7.804 7.564 3.985 366 H SER 48 H SER 48 -9.282 5.068 7.070 367 HA SER 48 HA SER 48 -8.161 7.129 8.579 368 HB2 SER 48 1HB SER 48 -9.581 4.582 9.280 369 HB3 SER 48 2HB SER 48 -8.877 5.571 10.559 370 HG SER 48 HG SER 48 -11.148 5.962 9.147 371 H ASP 49 H ASP 49 -7.394 3.648 8.749 372 HA ASP 49 HA ASP 49 -5.216 3.892 10.487 373 HB2 ASP 49 1HB ASP 49 -6.156 1.809 8.567 374 HB3 ASP 49 2HB ASP 49 -4.527 1.663 9.221 375 H TRP 50 H TRP 50 -5.399 4.039 6.969 376 HA TRP 50 HA TRP 50 -2.674 3.969 6.382 377 HB2 TRP 50 1HB TRP 50 -4.338 3.785 4.631 378 HB3 TRP 50 2HB TRP 50 -4.921 5.414 4.963 379 HD1 TRP 50 HD TRP 50 -3.849 7.318 3.598 380 HE1 TRP 50 1HE TRP 50 -1.856 7.506 1.980 381 HE3 TRP 50 3HE TRP 50 -1.835 2.664 4.249 382 HZ2 TRP 50 2HZ TRP 50 0.286 5.894 1.097 383 HZ3 TRP 50 3HZ TRP 50 0.186 2.066 2.980 384 HH2 TRP 50 HH TRP 50 1.223 3.648 1.437 385 H ALA 51 H ALA 51 -4.756 6.683 7.274 386 HA ALA 51 HA ALA 51 -2.944 8.764 6.826 387 HB1 ALA 51 1HB ALA 51 -5.467 8.412 8.229 388 HB2 ALA 51 2HB ALA 51 -4.415 9.602 8.997 389 HB3 ALA 51 3HB ALA 51 -4.867 9.789 7.304 390 H LEU 52 H LEU 52 -3.064 6.374 9.313 391 HA LEU 52 HA LEU 52 -1.509 7.797 11.243 392 HB2 LEU 52 1HB LEU 52 -1.889 4.820 10.988 393 HB3 LEU 52 2HB LEU 52 -1.377 5.705 12.424 394 HG LEU 52 HG LEU 52 -4.098 5.979 11.152 395 HD11 LEU 52 1HD1 LEU 52 -3.717 3.697 11.997 396 HD12 LEU 52 2HD1 LEU 52 -4.930 4.570 12.932 397 HD13 LEU 52 3HD1 LEU 52 -3.301 4.369 13.573 398 HD21 LEU 52 1HD2 LEU 52 -4.703 7.194 13.080 399 HD22 LEU 52 2HD2 LEU 52 -3.159 7.867 12.557 400 HD23 LEU 52 3HD2 LEU 52 -3.218 6.751 13.922 401 H LEU 53 H LEU 53 -0.810 5.615 8.589 402 HA LEU 53 HA LEU 53 1.815 4.923 9.169 403 HB2 LEU 53 1HB LEU 53 0.315 5.311 6.611 404 HB3 LEU 53 2HB LEU 53 2.036 4.935 6.583 405 HG LEU 53 HG LEU 53 0.120 3.182 8.078 406 HD11 LEU 53 1HD1 LEU 53 0.736 3.047 5.130 407 HD12 LEU 53 2HD1 LEU 53 -0.832 3.391 5.858 408 HD13 LEU 53 3HD1 LEU 53 -0.096 1.801 6.060 409 HD21 LEU 53 1HD2 LEU 53 2.302 1.957 6.625 410 HD22 LEU 53 2HD2 LEU 53 1.899 1.871 8.340 411 HD23 LEU 53 3HD2 LEU 53 2.874 3.207 7.729 412 H ARG 54 H ARG 54 3.827 5.743 8.336 413 HA ARG 54 HA ARG 54 3.847 8.674 8.254 414 HB2 ARG 54 1HB ARG 54 6.205 6.825 8.626 415 HB3 ARG 54 2HB ARG 54 6.147 8.556 8.929 416 HG2 ARG 54 1HG ARG 54 4.243 7.839 10.613 417 HG3 ARG 54 2HG ARG 54 5.117 6.306 10.563 418 HD2 ARG 54 1HD ARG 54 7.165 7.413 11.223 419 HD3 ARG 54 2HD ARG 54 6.367 8.984 11.163 420 HE ARG 54 HE ARG 54 5.162 7.087 12.973 421 HH11 ARG 54 1HH1 ARG 54 7.512 9.624 12.577 422 HH12 ARG 54 2HH1 ARG 54 7.550 10.030 14.262 423 HH21 ARG 54 1HH2 ARG 54 5.203 7.611 15.192 424 HH22 ARG 54 2HH2 ARG 54 6.237 8.883 15.748 425 H GLU 55 H GLU 55 5.625 9.645 6.874 426 HA GLU 55 HA GLU 55 5.148 9.188 4.196 427 HB2 GLU 55 1HB GLU 55 7.538 10.417 5.567 428 HB3 GLU 55 2HB GLU 55 7.341 10.412 3.821 429 HG2 GLU 55 1HG GLU 55 6.635 12.517 4.930 430 HG3 GLU 55 2HG GLU 55 5.379 11.752 3.958 431 H GLU 56 H GLU 56 7.829 7.961 6.176 432 HA GLU 56 HA GLU 56 9.265 6.651 4.197 433 HB2 GLU 56 1HB GLU 56 9.931 6.988 6.612 434 HB3 GLU 56 2HB GLU 56 8.897 5.625 7.012 435 HG2 GLU 56 1HG GLU 56 10.274 4.294 5.340 436 HG3 GLU 56 2HG GLU 56 11.411 5.641 5.379 437 H GLU 57 H GLU 57 6.663 5.359 6.255 438 HA GLU 57 HA GLU 57 6.615 2.773 5.203 439 HB2 GLU 57 1HB GLU 57 4.235 4.324 6.234 440 HB3 GLU 57 2HB GLU 57 4.404 2.575 6.164 441 HG2 GLU 57 1HG GLU 57 5.740 4.521 7.997 442 HG3 GLU 57 2HG GLU 57 4.792 3.089 8.392 443 H LYS 58 H LYS 58 4.542 5.547 4.349 444 HA LYS 58 HA LYS 58 3.071 4.402 2.327 445 HB2 LYS 58 1HB LYS 58 4.142 7.229 2.395 446 HB3 LYS 58 2HB LYS 58 2.787 6.668 1.424 447 HG2 LYS 58 1HG LYS 58 1.711 5.992 3.640 448 HG3 LYS 58 2HG LYS 58 2.951 6.992 4.399 449 HD2 LYS 58 1HD LYS 58 2.164 8.948 3.335 450 HD3 LYS 58 2HD LYS 58 1.168 8.025 2.207 451 HE2 LYS 58 1HE LYS 58 -0.286 7.333 4.023 452 HE3 LYS 58 2HE LYS 58 0.737 8.168 5.190 453 HZ1 LYS 58 1HZ LYS 58 -1.257 9.438 4.571 454 HZ2 LYS 58 2HZ LYS 58 -0.716 9.499 2.970 455 HZ3 LYS 58 3HZ LYS 58 0.173 10.260 4.191 456 H GLU 59 H GLU 59 6.233 6.002 2.051 457 HA GLU 59 HA GLU 59 6.544 5.749 -0.712 458 HB2 GLU 59 1HB GLU 59 7.978 7.022 1.049 459 HB3 GLU 59 2HB GLU 59 8.874 5.512 1.166 460 HG2 GLU 59 1HG GLU 59 8.930 5.759 -1.462 461 HG3 GLU 59 2HG GLU 59 8.717 7.463 -1.063 462 H LYS 60 H LYS 60 7.526 3.559 1.903 463 HA LYS 60 HA LYS 60 8.843 1.641 0.386 464 HB2 LYS 60 1HB LYS 60 8.986 1.518 2.758 465 HB3 LYS 60 2HB LYS 60 7.238 1.412 2.929 466 HG2 LYS 60 1HG LYS 60 7.352 -0.796 1.752 467 HG3 LYS 60 2HG LYS 60 9.110 -0.689 1.866 468 HD2 LYS 60 1HD LYS 60 8.622 -1.908 3.754 469 HD3 LYS 60 2HD LYS 60 8.613 -0.266 4.404 470 HE2 LYS 60 1HE LYS 60 6.247 -0.180 4.397 471 HE3 LYS 60 2HE LYS 60 6.126 -1.635 3.409 472 HZ1 LYS 60 1HZ LYS 60 6.389 -2.967 5.182 473 HZ2 LYS 60 2HZ LYS 60 5.856 -1.621 6.056 474 HZ3 LYS 60 3HZ LYS 60 7.511 -1.950 5.938 475 H TYR 61 H TYR 61 5.411 1.715 1.339 476 HA TYR 61 HA TYR 61 4.622 -0.616 0.027 477 HB2 TYR 61 1HB TYR 61 3.202 1.848 0.947 478 HB3 TYR 61 2HB TYR 61 2.339 0.708 -0.080 479 HD1 TYR 61 1HD TYR 61 3.941 1.189 3.193 480 HD2 TYR 61 2HD TYR 61 1.672 -1.451 0.748 481 HE1 TYR 61 1HE TYR 61 3.440 -0.194 5.165 482 HE2 TYR 61 2HE TYR 61 1.163 -2.841 2.713 483 HH TYR 61 HH TYR 61 1.312 -1.949 5.687 484 H ALA 62 H ALA 62 4.777 2.724 -1.133 485 HA ALA 62 HA ALA 62 3.613 2.252 -3.662 486 HB1 ALA 62 1HB ALA 62 5.565 4.384 -3.699 487 HB2 ALA 62 2HB ALA 62 3.811 4.457 -3.873 488 HB3 ALA 62 3HB ALA 62 4.540 4.466 -2.267 489 H GLU 63 H GLU 63 6.974 2.241 -2.543 490 HA GLU 63 HA GLU 63 8.215 1.927 -5.032 491 HB2 GLU 63 1HB GLU 63 9.356 2.468 -2.865 492 HB3 GLU 63 2HB GLU 63 9.166 0.783 -2.403 493 HG2 GLU 63 1HG GLU 63 10.488 0.135 -4.391 494 HG3 GLU 63 2HG GLU 63 10.757 1.845 -4.725 495 H MET 64 H MET 64 7.335 -0.565 -2.635 496 HA MET 64 HA MET 64 8.089 -2.776 -4.180 497 HB2 MET 64 1HB MET 64 6.728 -4.101 -2.661 498 HB3 MET 64 2HB MET 64 7.628 -2.886 -1.762 499 HG2 MET 64 1HG MET 64 5.759 -1.709 -1.203 500 HG3 MET 64 2HG MET 64 4.871 -2.223 -2.636 501 HE1 MET 64 1HE MET 64 5.615 -2.329 0.747 502 HE2 MET 64 2HE MET 64 4.117 -3.071 1.310 503 HE3 MET 64 3HE MET 64 5.618 -3.999 1.315 504 H ALA 65 H ALA 65 5.162 -0.858 -4.148 505 HA ALA 65 HA ALA 65 3.524 -2.638 -5.616 506 HB1 ALA 65 1HB ALA 65 2.921 0.165 -6.066 507 HB2 ALA 65 2HB ALA 65 1.957 -1.089 -5.285 508 HB3 ALA 65 3HB ALA 65 3.171 -0.204 -4.361 509 H ARG 66 H ARG 66 5.360 0.241 -6.647 510 HA ARG 66 HA ARG 66 4.792 0.045 -9.376 511 HB2 ARG 66 1HB ARG 66 7.233 1.182 -8.001 512 HB3 ARG 66 2HB ARG 66 6.827 1.438 -9.693 513 HG2 ARG 66 1HG ARG 66 4.579 2.337 -8.729 514 HG3 ARG 66 2HG ARG 66 5.518 2.524 -7.246 515 HD2 ARG 66 1HD ARG 66 7.163 3.871 -8.476 516 HD3 ARG 66 2HD ARG 66 6.195 3.701 -9.940 517 HE ARG 66 HE ARG 66 4.749 4.820 -7.724 518 HH11 ARG 66 1HH1 ARG 66 6.849 5.509 -10.413 519 HH12 ARG 66 2HH1 ARG 66 6.339 7.158 -10.557 520 HH21 ARG 66 1HH2 ARG 66 4.070 6.990 -7.902 521 HH22 ARG 66 2HH2 ARG 66 4.759 8.000 -9.127 522 H GLU 67 H GLU 67 7.562 -1.208 -7.530 523 HA GLU 67 HA GLU 67 8.959 -2.342 -9.661 524 HB2 GLU 67 1HB GLU 67 8.818 -3.049 -6.737 525 HB3 GLU 67 2HB GLU 67 9.857 -3.923 -7.853 526 HG2 GLU 67 1HG GLU 67 10.044 -0.960 -7.769 527 HG3 GLU 67 2HG GLU 67 10.748 -1.891 -6.449 528 H TRP 68 H TRP 68 6.398 -3.693 -7.628 529 HA TRP 68 HA TRP 68 6.462 -6.310 -8.642 530 HB2 TRP 68 1HB TRP 68 5.259 -5.951 -6.631 531 HB3 TRP 68 2HB TRP 68 4.277 -4.681 -7.354 532 HD1 TRP 68 HD TRP 68 4.722 -8.518 -7.515 533 HE1 TRP 68 1HE TRP 68 2.477 -9.552 -8.232 534 HE3 TRP 68 3HE TRP 68 2.099 -4.223 -8.414 535 HZ2 TRP 68 2HZ TRP 68 -0.070 -8.665 -9.068 536 HZ3 TRP 68 3HZ TRP 68 -0.236 -4.402 -9.170 537 HH2 TRP 68 HH TRP 68 -1.295 -6.579 -9.490 538 H ARG 69 H ARG 69 4.532 -3.490 -9.613 539 HA ARG 69 HA ARG 69 3.033 -4.749 -11.614 540 HB2 ARG 69 1HB ARG 69 3.766 -1.940 -10.966 541 HB3 ARG 69 2HB ARG 69 3.141 -2.259 -12.579 542 HG2 ARG 69 1HG ARG 69 1.648 -3.356 -10.259 543 HG3 ARG 69 2HG ARG 69 1.556 -1.622 -10.574 544 HD2 ARG 69 1HD ARG 69 -0.238 -2.482 -11.778 545 HD3 ARG 69 2HD ARG 69 1.025 -2.310 -12.997 546 HE ARG 69 HE ARG 69 1.105 -4.899 -11.871 547 HH11 ARG 69 1HH1 ARG 69 -0.777 -2.921 -14.030 548 HH12 ARG 69 2HH1 ARG 69 -1.372 -4.263 -14.950 549 HH21 ARG 69 1HH2 ARG 69 0.329 -6.674 -13.074 550 HH22 ARG 69 2HH2 ARG 69 -0.743 -6.397 -14.405 551 H ALA 70 H ALA 70 6.209 -3.214 -11.708 552 HA ALA 70 HA ALA 70 6.555 -3.323 -14.512 553 HB1 ALA 70 1HB ALA 70 7.944 -2.221 -12.435 554 HB2 ALA 70 2HB ALA 70 9.006 -3.538 -12.934 555 HB3 ALA 70 3HB ALA 70 8.511 -2.314 -14.102 556 H ALA 71 H ALA 71 7.614 -5.494 -11.903 557 HA ALA 71 HA ALA 71 8.917 -7.354 -13.588 558 HB1 ALA 71 1HB ALA 71 7.708 -8.195 -10.994 559 HB2 ALA 71 2HB ALA 71 9.268 -8.618 -11.699 560 HB3 ALA 71 3HB ALA 71 9.022 -7.019 -10.997 561 H GLN 72 H GLN 72 5.604 -7.047 -12.459 562 HA GLN 72 HA GLN 72 4.758 -9.615 -13.373 563 HB2 GLN 72 1HB GLN 72 3.312 -7.129 -12.496 564 HB3 GLN 72 2HB GLN 72 2.437 -8.510 -13.146 565 HG2 GLN 72 1HG GLN 72 4.170 -8.450 -10.688 566 HG3 GLN 72 2HG GLN 72 2.417 -8.622 -10.757 567 HE21 GLN 72 1HE2 GLN 72 4.928 -10.304 -9.949 568 HE22 GLN 72 2HE2 GLN 72 4.531 -11.872 -10.557 569 H GLY 73 H GLY 73 5.116 -6.487 -14.833 570 HA2 GLY 73 1HA GLY 73 3.485 -7.185 -17.138 571 HA3 GLY 73 2HA GLY 73 4.331 -5.668 -16.880 572 H LYS 74 H LYS 74 6.856 -6.084 -16.748 573 HA LYS 74 HA LYS 74 7.891 -6.444 -19.183 574 HB2 LYS 74 1HB LYS 74 9.254 -5.802 -17.265 575 HB3 LYS 74 2HB LYS 74 9.150 -7.435 -16.618 576 HG2 LYS 74 1HG LYS 74 11.275 -7.246 -17.617 577 HG3 LYS 74 2HG LYS 74 10.297 -8.218 -18.719 578 HD2 LYS 74 1HD LYS 74 11.449 -6.686 -20.089 579 HD3 LYS 74 2HD LYS 74 9.807 -6.051 -19.954 580 HE2 LYS 74 1HE LYS 74 10.594 -4.549 -18.143 581 HE3 LYS 74 2HE LYS 74 12.235 -5.131 -18.418 582 HZ1 LYS 74 1HZ LYS 74 10.650 -3.963 -20.616 583 HZ2 LYS 74 2HZ LYS 74 12.329 -4.122 -20.489 584 HZ3 LYS 74 3HZ LYS 74 11.514 -2.974 -19.549 585 H ASP 75 H ASP 75 7.968 -7.988 -20.669 586 HA ASP 75 HA ASP 75 7.869 -10.797 -19.798 587 HB2 ASP 75 1HB ASP 75 5.667 -9.904 -20.727 588 HB3 ASP 75 2HB ASP 75 6.487 -9.790 -22.282 589 HA PRO 76 HA PRO 76 11.459 -11.250 -22.312 590 HB2 PRO 76 1HB PRO 76 11.415 -13.951 -22.589 591 HB3 PRO 76 2HB PRO 76 11.885 -13.146 -21.087 592 HG2 PRO 76 1HG PRO 76 9.262 -14.379 -21.836 593 HG3 PRO 76 2HG PRO 76 10.152 -14.485 -20.306 594 HD2 PRO 76 1HD PRO 76 8.050 -12.813 -20.657 595 HD3 PRO 76 2HD PRO 76 9.415 -12.422 -19.589 596 H GLY 77 H GLY 77 8.339 -11.629 -23.384 597 HA2 GLY 77 1HA GLY 77 8.579 -13.032 -25.793 598 HA3 GLY 77 2HA GLY 77 7.390 -11.779 -25.467 599 HA PRO 78 HA PRO 78 9.328 -9.339 -28.565 600 HB2 PRO 78 1HB PRO 78 8.419 -6.892 -27.820 601 HB3 PRO 78 2HB PRO 78 7.390 -8.104 -28.593 602 HG2 PRO 78 1HG PRO 78 7.640 -7.403 -25.694 603 HG3 PRO 78 2HG PRO 78 6.179 -7.728 -26.645 604 HD2 PRO 78 1HD PRO 78 7.296 -9.577 -25.013 605 HD3 PRO 78 2HD PRO 78 6.448 -10.013 -26.510 606 H SER 79 H SER 79 11.524 -9.551 -28.049 607 HA SER 79 HA SER 79 12.755 -7.182 -27.007 608 HB2 SER 79 1HB SER 79 13.885 -8.112 -25.121 609 HB3 SER 79 2HB SER 79 12.183 -8.537 -24.939 610 HG SER 79 HG SER 79 12.720 -10.596 -25.854 611 H GLU 80 H GLU 80 14.519 -6.834 -28.179 612 HA GLU 80 HA GLU 80 16.281 -9.002 -28.922 613 HB2 GLU 80 1HB GLU 80 14.359 -8.720 -30.681 614 HB3 GLU 80 2HB GLU 80 15.287 -7.316 -31.189 615 HG2 GLU 80 1HG GLU 80 17.179 -8.660 -31.718 616 HG3 GLU 80 2HG GLU 80 16.441 -10.084 -30.986 617 H LYS 81 H LYS 81 18.259 -8.214 -29.985 618 HA LYS 81 HA LYS 81 19.439 -6.107 -28.650 619 HB2 LYS 81 1HB LYS 81 20.601 -7.924 -29.950 620 HB3 LYS 81 2HB LYS 81 20.218 -7.033 -31.418 621 HG2 LYS 81 1HG LYS 81 21.521 -5.135 -30.622 622 HG3 LYS 81 2HG LYS 81 21.889 -6.006 -29.131 623 HD2 LYS 81 1HD LYS 81 23.781 -6.310 -30.489 624 HD3 LYS 81 2HD LYS 81 22.876 -7.819 -30.632 625 HE2 LYS 81 1HE LYS 81 21.807 -6.727 -32.705 626 HE3 LYS 81 2HE LYS 81 23.149 -5.586 -32.616 627 HZ1 LYS 81 1HZ LYS 81 24.702 -7.336 -32.899 628 HZ2 LYS 81 2HZ LYS 81 23.526 -7.532 -34.098 629 HZ3 LYS 81 3HZ LYS 81 23.511 -8.527 -32.731 630 H GLN 82 H GLN 82 19.752 -3.955 -29.029 631 HA GLN 82 HA GLN 82 18.445 -2.797 -31.397 632 HB2 GLN 82 1HB GLN 82 17.524 -1.007 -30.074 633 HB3 GLN 82 2HB GLN 82 17.014 -2.542 -29.380 634 HG2 GLN 82 1HG GLN 82 19.085 -2.228 -27.842 635 HG3 GLN 82 2HG GLN 82 18.951 -0.536 -28.323 636 HE21 GLN 82 1HE2 GLN 82 17.851 -2.935 -26.239 637 HE22 GLN 82 2HE2 GLN 82 16.530 -2.073 -25.534 638 H LYS 83 H LYS 83 19.191 -0.593 -31.904 639 HA LYS 83 HA LYS 83 22.025 -0.259 -31.175 640 HB2 LYS 83 1HB LYS 83 20.535 0.094 -33.727 641 HB3 LYS 83 2HB LYS 83 21.869 1.194 -33.408 642 HG2 LYS 83 1HG LYS 83 23.389 -0.683 -33.165 643 HG3 LYS 83 2HG LYS 83 22.056 -1.812 -33.417 644 HD2 LYS 83 1HD LYS 83 22.610 0.284 -35.471 645 HD3 LYS 83 2HD LYS 83 23.635 -1.152 -35.402 646 HE2 LYS 83 1HE LYS 83 21.367 -2.432 -35.365 647 HE3 LYS 83 2HE LYS 83 20.717 -0.929 -36.021 648 HZ1 LYS 83 1HZ LYS 83 21.339 -2.486 -37.767 649 HZ2 LYS 83 2HZ LYS 83 22.936 -2.505 -37.211 650 HZ3 LYS 83 3HZ LYS 83 22.280 -1.082 -37.847 651 HA PRO 84 HA PRO 84 21.050 3.609 -29.318 652 HB2 PRO 84 1HB PRO 84 23.465 4.828 -29.541 653 HB3 PRO 84 2HB PRO 84 23.149 3.525 -28.389 654 HG2 PRO 84 1HG PRO 84 24.474 3.402 -31.070 655 HG3 PRO 84 2HG PRO 84 24.941 2.609 -29.554 656 HD2 PRO 84 1HD PRO 84 23.623 1.310 -31.530 657 HD3 PRO 84 2HD PRO 84 23.394 0.921 -29.814 658 H VAL 85 H VAL 85 19.661 4.809 -30.514 659 HA VAL 85 HA VAL 85 20.823 6.450 -32.666 660 HB VAL 85 HB VAL 85 18.061 5.225 -32.656 661 HG11 VAL 85 1HG1 VAL 85 19.404 7.098 -34.597 662 HG12 VAL 85 2HG1 VAL 85 17.922 6.205 -34.947 663 HG13 VAL 85 3HG1 VAL 85 17.947 7.399 -33.649 664 HG21 VAL 85 1HG2 VAL 85 19.137 4.309 -34.900 665 HG22 VAL 85 2HG2 VAL 85 20.625 4.507 -33.973 666 HG23 VAL 85 3HG2 VAL 85 19.335 3.470 -33.362 667 H PHE 86 H PHE 86 20.743 8.530 -32.166 668 HA PHE 86 HA PHE 86 18.609 9.468 -30.366 669 HB2 PHE 86 1HB PHE 86 21.395 10.545 -30.835 670 HB3 PHE 86 2HB PHE 86 20.173 11.373 -29.875 671 HD1 PHE 86 1HD PHE 86 22.090 8.207 -30.112 672 HD2 PHE 86 2HD PHE 86 19.896 10.870 -27.620 673 HE1 PHE 86 1HE PHE 86 22.781 6.919 -28.133 674 HE2 PHE 86 2HE PHE 86 20.585 9.587 -25.637 675 HZ PHE 86 HZ PHE 86 22.030 7.609 -25.891 676 H THR 87 H THR 87 17.207 10.953 -31.070 677 HA THR 87 HA THR 87 17.007 11.627 -33.782 678 HB THR 87 HB THR 87 15.733 13.010 -31.413 679 HG1 THR 87 1HG THR 87 13.920 11.614 -32.408 680 HG21 THR 87 1HG2 THR 87 15.109 13.103 -34.364 681 HG22 THR 87 2HG2 THR 87 15.577 14.448 -33.323 682 HG23 THR 87 3HG2 THR 87 14.010 13.670 -33.107 683 H SER 88 H SER 88 17.804 13.764 -31.035 684 HA SER 88 HA SER 88 18.852 15.751 -32.886 685 HB2 SER 88 1HB SER 88 18.384 15.777 -29.902 686 HB3 SER 88 2HB SER 88 19.155 17.106 -30.766 687 HG SER 88 HG SER 88 16.808 17.255 -30.442 688 H GLY 89 H GLY 89 20.971 16.673 -32.635 689 HA2 GLY 89 1HA GLY 89 22.937 15.452 -30.960 690 HA3 GLY 89 2HA GLY 89 23.050 14.864 -32.612 691 HA PRO 90 HA PRO 90 25.500 18.836 -32.071 692 HB2 PRO 90 1HB PRO 90 27.910 17.791 -32.757 693 HB3 PRO 90 2HB PRO 90 27.307 17.805 -31.095 694 HG2 PRO 90 1HG PRO 90 27.286 15.581 -33.098 695 HG3 PRO 90 2HG PRO 90 27.682 15.526 -31.371 696 HD2 PRO 90 1HD PRO 90 25.274 14.752 -32.340 697 HD3 PRO 90 2HD PRO 90 25.465 15.491 -30.736 698 H SER 91 H SER 91 24.867 16.492 -34.473 699 HA SER 91 HA SER 91 24.929 16.495 -36.753 700 HB2 SER 91 1HB SER 91 24.463 19.416 -36.149 701 HB3 SER 91 2HB SER 91 24.428 18.768 -37.789 702 HG SER 91 HG SER 91 22.372 18.574 -37.186 703 H SER 92 H SER 92 27.439 16.298 -35.728 704 HA SER 92 HA SER 92 29.065 18.115 -37.376 705 HB2 SER 92 1HB SER 92 29.601 16.669 -34.806 706 HB3 SER 92 2HB SER 92 30.949 17.091 -35.861 707 HG SER 92 HG SER 92 30.813 18.957 -34.905 708 H GLY 93 H GLY 93 29.447 17.216 -39.301 709 HA2 GLY 93 1HA GLY 93 30.914 14.750 -39.447 710 HA3 GLY 93 2HA GLY 93 29.279 14.602 -40.073 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -16.971 19.932 -19.729 2 HA2 GLY 1 1HA GLY 1 -16.735 20.979 -17.576 3 HA3 GLY 1 2HA GLY 1 -16.617 22.531 -18.391 4 H SER 2 H SER 2 -18.822 19.915 -17.538 5 HA SER 2 HA SER 2 -21.123 21.603 -18.157 6 HB2 SER 2 1HB SER 2 -20.712 18.693 -17.648 7 HB3 SER 2 2HB SER 2 -22.288 19.381 -17.260 8 HG SER 2 HG SER 2 -21.157 20.007 -19.735 9 H SER 3 H SER 3 -21.233 23.128 -16.568 10 HA SER 3 HA SER 3 -20.875 22.510 -13.798 11 HB2 SER 3 1HB SER 3 -21.650 24.845 -13.431 12 HB3 SER 3 2HB SER 3 -20.347 24.740 -14.613 13 HG SER 3 HG SER 3 -21.810 25.048 -16.245 14 H GLY 4 H GLY 4 -22.324 20.986 -13.110 15 HA2 GLY 4 1HA GLY 4 -24.966 21.904 -12.497 16 HA3 GLY 4 2HA GLY 4 -24.975 20.679 -13.758 17 H SER 5 H SER 5 -22.957 19.003 -12.912 18 HA SER 5 HA SER 5 -24.107 17.948 -10.416 19 HB2 SER 5 1HB SER 5 -22.821 16.558 -12.769 20 HB3 SER 5 2HB SER 5 -23.127 15.744 -11.235 21 HG SER 5 HG SER 5 -25.226 17.136 -12.456 22 H SER 6 H SER 6 -21.035 18.136 -12.207 23 HA SER 6 HA SER 6 -19.575 18.908 -9.886 24 HB2 SER 6 1HB SER 6 -19.603 16.040 -10.689 25 HB3 SER 6 2HB SER 6 -18.054 16.734 -10.212 26 HG SER 6 HG SER 6 -20.256 17.250 -8.582 27 H GLY 7 H GLY 7 -17.104 18.739 -10.392 28 HA2 GLY 7 1HA GLY 7 -16.493 20.350 -12.525 29 HA3 GLY 7 2HA GLY 7 -15.341 19.248 -11.783 30 H MET 8 H MET 8 -14.855 17.308 -12.777 31 HA MET 8 HA MET 8 -16.176 16.748 -15.336 32 HB2 MET 8 1HB MET 8 -13.200 16.993 -14.888 33 HB3 MET 8 2HB MET 8 -13.909 16.242 -16.311 34 HG2 MET 8 1HG MET 8 -15.143 18.442 -16.653 35 HG3 MET 8 2HG MET 8 -14.035 19.111 -15.458 36 HE1 MET 8 1HE MET 8 -11.521 20.334 -16.689 37 HE2 MET 8 2HE MET 8 -11.729 19.056 -15.491 38 HE3 MET 8 3HE MET 8 -10.641 18.815 -16.859 39 HA PRO 9 HA PRO 9 -16.200 12.603 -13.856 40 HB2 PRO 9 1HB PRO 9 -16.472 11.296 -16.221 41 HB3 PRO 9 2HB PRO 9 -17.791 12.196 -15.463 42 HG2 PRO 9 1HG PRO 9 -15.957 13.029 -17.678 43 HG3 PRO 9 2HG PRO 9 -17.709 13.260 -17.529 44 HD2 PRO 9 1HD PRO 9 -15.929 15.229 -16.992 45 HD3 PRO 9 2HD PRO 9 -17.478 15.081 -16.136 46 H ASN 10 H ASN 10 -14.638 11.226 -13.278 47 HA ASN 10 HA ASN 10 -12.533 10.485 -15.124 48 HB2 ASN 10 1HB ASN 10 -11.966 12.002 -12.572 49 HB3 ASN 10 2HB ASN 10 -10.745 11.076 -13.439 50 HD21 ASN 10 1HD2 ASN 10 -10.862 11.614 -15.927 51 HD22 ASN 10 2HD2 ASN 10 -10.804 13.305 -16.278 52 H ARG 11 H ARG 11 -12.727 8.343 -14.987 53 HA ARG 11 HA ARG 11 -12.907 7.128 -12.308 54 HB2 ARG 11 1HB ARG 11 -14.149 6.428 -14.923 55 HB3 ARG 11 2HB ARG 11 -13.699 5.107 -13.853 56 HG2 ARG 11 1HG ARG 11 -15.938 5.564 -13.358 57 HG3 ARG 11 2HG ARG 11 -15.019 6.318 -12.053 58 HD2 ARG 11 1HD ARG 11 -15.287 8.481 -13.004 59 HD3 ARG 11 2HD ARG 11 -15.932 7.811 -14.502 60 HE ARG 11 HE ARG 11 -17.485 7.194 -12.152 61 HH11 ARG 11 1HH1 ARG 11 -16.953 9.442 -14.757 62 HH12 ARG 11 2HH1 ARG 11 -18.554 10.101 -14.689 63 HH21 ARG 11 1HH2 ARG 11 -19.595 8.053 -12.053 64 HH22 ARG 11 2HH2 ARG 11 -20.056 9.311 -13.149 65 H LYS 12 H LYS 12 -10.611 7.190 -12.090 66 HA LYS 12 HA LYS 12 -9.164 5.320 -13.844 67 HB2 LYS 12 1HB LYS 12 -8.309 7.732 -12.285 68 HB3 LYS 12 2HB LYS 12 -7.134 6.476 -12.650 69 HG2 LYS 12 1HG LYS 12 -7.621 6.737 -15.044 70 HG3 LYS 12 2HG LYS 12 -8.754 8.033 -14.655 71 HD2 LYS 12 1HD LYS 12 -6.661 9.020 -13.391 72 HD3 LYS 12 2HD LYS 12 -5.776 8.003 -14.530 73 HE2 LYS 12 1HE LYS 12 -5.918 9.957 -15.724 74 HE3 LYS 12 2HE LYS 12 -7.369 9.128 -16.285 75 HZ1 LYS 12 1HZ LYS 12 -7.208 11.619 -15.085 76 HZ2 LYS 12 2HZ LYS 12 -7.948 10.606 -13.951 77 HZ3 LYS 12 3HZ LYS 12 -8.609 10.766 -15.500 78 H ALA 13 H ALA 13 -8.988 3.355 -13.004 79 HA ALA 13 HA ALA 13 -8.618 3.096 -10.091 80 HB1 ALA 13 1HB ALA 13 -9.376 0.603 -11.171 81 HB2 ALA 13 2HB ALA 13 -10.309 1.662 -10.112 82 HB3 ALA 13 3HB ALA 13 -10.453 1.817 -11.863 83 H SER 14 H SER 14 -6.403 3.130 -9.986 84 HA SER 14 HA SER 14 -5.014 0.934 -11.376 85 HB2 SER 14 1HB SER 14 -2.981 2.375 -11.369 86 HB3 SER 14 2HB SER 14 -4.295 3.045 -12.334 87 HG SER 14 HG SER 14 -4.807 4.373 -10.512 88 H ARG 15 H ARG 15 -2.894 0.373 -10.245 89 HA ARG 15 HA ARG 15 -3.495 -0.032 -7.423 90 HB2 ARG 15 1HB ARG 15 -1.259 -1.173 -9.108 91 HB3 ARG 15 2HB ARG 15 -1.680 -1.667 -7.473 92 HG2 ARG 15 1HG ARG 15 -3.753 -1.823 -9.602 93 HG3 ARG 15 2HG ARG 15 -2.481 -3.044 -9.547 94 HD2 ARG 15 1HD ARG 15 -3.076 -3.630 -7.288 95 HD3 ARG 15 2HD ARG 15 -4.247 -2.314 -7.216 96 HE ARG 15 HE ARG 15 -4.645 -4.902 -8.347 97 HH11 ARG 15 1HH1 ARG 15 -5.548 -1.551 -8.629 98 HH12 ARG 15 2HH1 ARG 15 -7.078 -1.890 -9.367 99 HH21 ARG 15 1HH2 ARG 15 -6.658 -5.361 -9.318 100 HH22 ARG 15 2HH2 ARG 15 -7.709 -4.059 -9.757 101 H ASN 16 H ASN 16 -2.111 0.540 -5.740 102 HA ASN 16 HA ASN 16 0.356 1.911 -6.193 103 HB2 ASN 16 1HB ASN 16 -1.540 3.611 -6.695 104 HB3 ASN 16 2HB ASN 16 -1.780 3.624 -4.950 105 HD21 ASN 16 1HD2 ASN 16 1.022 3.624 -7.133 106 HD22 ASN 16 2HD2 ASN 16 1.816 4.965 -6.385 107 H ALA 17 H ALA 17 1.257 2.779 -4.101 108 HA ALA 17 HA ALA 17 1.598 0.957 -2.185 109 HB1 ALA 17 1HB ALA 17 2.613 2.562 -0.974 110 HB2 ALA 17 2HB ALA 17 2.322 3.544 -2.411 111 HB3 ALA 17 3HB ALA 17 1.220 3.643 -1.038 112 H TYR 18 H TYR 18 -1.109 3.249 -2.238 113 HA TYR 18 HA TYR 18 -2.282 2.574 0.192 114 HB2 TYR 18 1HB TYR 18 -2.919 4.491 -1.320 115 HB3 TYR 18 2HB TYR 18 -3.794 3.330 -2.312 116 HD1 TYR 18 2HD TYR 18 -3.535 3.964 1.368 117 HD2 TYR 18 1HD TYR 18 -6.070 3.488 -2.016 118 HE1 TYR 18 2HE TYR 18 -5.507 4.219 2.816 119 HE2 TYR 18 1HE TYR 18 -8.048 3.742 -0.578 120 HH TYR 18 HH TYR 18 -7.814 3.771 2.882 121 H TYR 19 H TYR 19 -3.024 1.283 -3.046 122 HA TYR 19 HA TYR 19 -4.968 -0.546 -2.353 123 HB2 TYR 19 1HB TYR 19 -4.444 -0.086 -4.670 124 HB3 TYR 19 2HB TYR 19 -2.830 -0.765 -4.481 125 HD1 TYR 19 2HD TYR 19 -6.400 -1.536 -4.810 126 HD2 TYR 19 1HD TYR 19 -2.487 -3.162 -4.437 127 HE1 TYR 19 2HE TYR 19 -7.258 -3.740 -5.486 128 HE2 TYR 19 1HE TYR 19 -3.333 -5.370 -5.113 129 HH TYR 19 HH TYR 19 -5.775 -6.526 -4.974 130 H PHE 20 H PHE 20 -1.453 -1.072 -2.487 131 HA PHE 20 HA PHE 20 -1.445 -3.752 -1.716 132 HB2 PHE 20 1HB PHE 20 0.546 -1.537 -1.648 133 HB3 PHE 20 2HB PHE 20 0.902 -2.987 -0.716 134 HD1 PHE 20 2HD PHE 20 -0.246 -2.002 -4.124 135 HD2 PHE 20 1HD PHE 20 2.048 -4.686 -1.748 136 HE1 PHE 20 2HE PHE 20 0.569 -3.107 -6.166 137 HE2 PHE 20 1HE PHE 20 2.867 -5.795 -3.786 138 HZ PHE 20 HZ PHE 20 2.126 -5.007 -5.998 139 H PHE 21 H PHE 21 -1.665 -0.821 0.188 140 HA PHE 21 HA PHE 21 -1.209 -2.054 2.714 141 HB2 PHE 21 1HB PHE 21 -0.841 0.302 2.547 142 HB3 PHE 21 2HB PHE 21 -2.465 0.575 1.922 143 HD1 PHE 21 1HD PHE 21 -0.639 -0.612 4.932 144 HD2 PHE 21 2HD PHE 21 -4.195 1.126 3.366 145 HE1 PHE 21 1HE PHE 21 -1.442 -0.203 7.221 146 HE2 PHE 21 2HE PHE 21 -5.004 1.539 5.653 147 HZ PHE 21 HZ PHE 21 -3.627 0.875 7.584 148 H VAL 22 H VAL 22 -4.131 -1.110 0.938 149 HA VAL 22 HA VAL 22 -5.943 -1.997 2.947 150 HB VAL 22 HB VAL 22 -6.481 -1.603 0.000 151 HG11 VAL 22 1HG1 VAL 22 -8.800 -1.274 0.704 152 HG12 VAL 22 2HG1 VAL 22 -8.215 -2.879 1.149 153 HG13 VAL 22 3HG1 VAL 22 -8.343 -1.614 2.373 154 HG21 VAL 22 1HG2 VAL 22 -5.952 0.532 0.435 155 HG22 VAL 22 2HG2 VAL 22 -7.499 0.583 1.279 156 HG23 VAL 22 3HG2 VAL 22 -6.013 0.293 2.183 157 H GLN 23 H GLN 23 -4.414 -3.506 0.184 158 HA GLN 23 HA GLN 23 -6.066 -5.779 -0.007 159 HB2 GLN 23 1HB GLN 23 -4.277 -4.921 -1.650 160 HB3 GLN 23 2HB GLN 23 -3.127 -5.794 -0.645 161 HG2 GLN 23 1HG GLN 23 -4.614 -7.831 -1.010 162 HG3 GLN 23 2HG GLN 23 -5.382 -6.889 -2.288 163 HE21 GLN 23 1HE2 GLN 23 -2.044 -7.432 -1.196 164 HE22 GLN 23 2HE2 GLN 23 -1.423 -7.844 -2.754 165 H GLU 24 H GLU 24 -3.305 -5.018 2.016 166 HA GLU 24 HA GLU 24 -3.154 -7.716 3.070 167 HB2 GLU 24 1HB GLU 24 -1.618 -5.180 3.553 168 HB3 GLU 24 2HB GLU 24 -1.448 -6.553 4.637 169 HG2 GLU 24 1HG GLU 24 -0.932 -6.606 1.673 170 HG3 GLU 24 2HG GLU 24 0.302 -6.483 2.926 171 H LYS 25 H LYS 25 -5.327 -5.410 3.496 172 HA LYS 25 HA LYS 25 -5.615 -5.911 6.387 173 HB2 LYS 25 1HB LYS 25 -6.479 -3.521 4.753 174 HB3 LYS 25 2HB LYS 25 -6.959 -3.790 6.423 175 HG2 LYS 25 1HG LYS 25 -4.066 -3.738 5.672 176 HG3 LYS 25 2HG LYS 25 -4.963 -2.237 5.918 177 HD2 LYS 25 1HD LYS 25 -5.303 -2.656 8.166 178 HD3 LYS 25 2HD LYS 25 -5.098 -4.399 7.977 179 HE2 LYS 25 1HE LYS 25 -2.789 -2.609 7.399 180 HE3 LYS 25 2HE LYS 25 -3.224 -2.912 9.080 181 HZ1 LYS 25 1HZ LYS 25 -3.207 -5.347 7.672 182 HZ2 LYS 25 2HZ LYS 25 -2.232 -4.871 8.969 183 HZ3 LYS 25 3HZ LYS 25 -1.747 -4.545 7.382 184 H ILE 26 H ILE 26 -7.028 -6.175 3.269 185 HA ILE 26 HA ILE 26 -9.713 -6.216 3.608 186 HB ILE 26 HB ILE 26 -7.883 -7.863 1.954 187 HG12 ILE 26 1HG1 ILE 26 -10.404 -6.433 1.138 188 HG13 ILE 26 2HG1 ILE 26 -8.903 -5.557 1.418 189 HG21 ILE 26 1HG2 ILE 26 -9.982 -9.014 1.013 190 HG22 ILE 26 2HG2 ILE 26 -9.280 -9.643 2.502 191 HG23 ILE 26 3HG2 ILE 26 -10.716 -8.622 2.568 192 HD11 ILE 26 1HD1 ILE 26 -8.004 -6.242 -0.511 193 HD12 ILE 26 2HD1 ILE 26 -8.659 -7.872 -0.359 194 HD13 ILE 26 3HD1 ILE 26 -9.677 -6.566 -0.965 195 HA PRO 27 HA PRO 27 -9.663 -10.707 5.393 196 HB2 PRO 27 1HB PRO 27 -7.255 -11.725 6.127 197 HB3 PRO 27 2HB PRO 27 -7.925 -11.918 4.503 198 HG2 PRO 27 1HG PRO 27 -5.884 -9.963 5.491 199 HG3 PRO 27 2HG PRO 27 -5.897 -10.905 3.988 200 HD2 PRO 27 1HD PRO 27 -6.619 -8.297 4.080 201 HD3 PRO 27 2HD PRO 27 -7.345 -9.449 2.941 202 H GLU 28 H GLU 28 -7.520 -8.242 6.603 203 HA GLU 28 HA GLU 28 -7.516 -9.092 9.324 204 HB2 GLU 28 1HB GLU 28 -5.805 -7.584 8.284 205 HB3 GLU 28 2HB GLU 28 -7.018 -6.312 8.254 206 HG2 GLU 28 1HG GLU 28 -5.726 -5.900 10.161 207 HG3 GLU 28 2HG GLU 28 -7.215 -6.630 10.756 208 H LEU 29 H LEU 29 -9.493 -6.885 7.421 209 HA LEU 29 HA LEU 29 -10.993 -5.953 9.692 210 HB2 LEU 29 1HB LEU 29 -11.439 -5.668 6.727 211 HB3 LEU 29 2HB LEU 29 -12.444 -4.905 7.958 212 HG LEU 29 HG LEU 29 -9.493 -4.377 7.648 213 HD11 LEU 29 1HD1 LEU 29 -11.112 -2.162 6.892 214 HD12 LEU 29 2HD1 LEU 29 -11.596 -3.568 5.944 215 HD13 LEU 29 3HD1 LEU 29 -9.915 -3.037 5.937 216 HD21 LEU 29 1HD2 LEU 29 -11.042 -3.921 9.800 217 HD22 LEU 29 2HD2 LEU 29 -11.335 -2.439 8.891 218 HD23 LEU 29 3HD2 LEU 29 -9.689 -2.890 9.334 219 H ARG 30 H ARG 30 -11.425 -8.335 7.136 220 HA ARG 30 HA ARG 30 -14.103 -8.941 7.425 221 HB2 ARG 30 1HB ARG 30 -11.701 -10.478 6.571 222 HB3 ARG 30 2HB ARG 30 -13.171 -11.385 6.900 223 HG2 ARG 30 1HG ARG 30 -14.382 -10.109 5.252 224 HG3 ARG 30 2HG ARG 30 -12.979 -9.074 4.982 225 HD2 ARG 30 1HD ARG 30 -11.845 -10.682 3.812 226 HD3 ARG 30 2HD ARG 30 -12.645 -12.009 4.651 227 HE ARG 30 HE ARG 30 -13.569 -10.630 2.281 228 HH11 ARG 30 1HH1 ARG 30 -14.378 -12.738 4.931 229 HH12 ARG 30 2HH1 ARG 30 -15.758 -13.421 4.137 230 HH21 ARG 30 1HH2 ARG 30 -15.385 -11.521 1.227 231 HH22 ARG 30 2HH2 ARG 30 -16.329 -12.729 2.029 232 H ARG 31 H ARG 31 -11.379 -9.929 9.415 233 HA ARG 31 HA ARG 31 -12.973 -11.728 11.014 234 HB2 ARG 31 1HB ARG 31 -10.860 -11.769 12.443 235 HB3 ARG 31 2HB ARG 31 -10.718 -12.378 10.799 236 HG2 ARG 31 1HG ARG 31 -9.650 -10.362 10.075 237 HG3 ARG 31 2HG ARG 31 -9.954 -9.590 11.633 238 HD2 ARG 31 1HD ARG 31 -7.766 -10.238 11.889 239 HD3 ARG 31 2HD ARG 31 -8.608 -11.633 12.563 240 HE ARG 31 HE ARG 31 -7.077 -11.534 10.112 241 HH11 ARG 31 1HH1 ARG 31 -9.436 -13.257 12.006 242 HH12 ARG 31 2HH1 ARG 31 -9.155 -14.773 11.216 243 HH21 ARG 31 1HH2 ARG 31 -6.699 -13.524 9.064 244 HH22 ARG 31 2HH2 ARG 31 -7.598 -14.925 9.543 245 H ARG 32 H ARG 32 -11.943 -8.407 11.127 246 HA ARG 32 HA ARG 32 -12.345 -7.914 13.871 247 HB2 ARG 32 1HB ARG 32 -12.293 -6.183 11.423 248 HB3 ARG 32 2HB ARG 32 -12.756 -5.500 12.975 249 HG2 ARG 32 1HG ARG 32 -10.512 -6.673 13.746 250 HG3 ARG 32 2HG ARG 32 -10.119 -6.475 12.037 251 HD2 ARG 32 1HD ARG 32 -9.319 -4.558 13.245 252 HD3 ARG 32 2HD ARG 32 -10.680 -4.070 12.236 253 HE ARG 32 HE ARG 32 -11.890 -3.604 14.134 254 HH11 ARG 32 1HH1 ARG 32 -9.016 -5.378 14.980 255 HH12 ARG 32 2HH1 ARG 32 -9.205 -5.127 16.684 256 HH21 ARG 32 1HH2 ARG 32 -12.149 -3.266 16.375 257 HH22 ARG 32 2HH2 ARG 32 -10.988 -3.926 17.476 258 H GLY 33 H GLY 33 -14.524 -7.810 11.095 259 HA2 GLY 33 1HA GLY 33 -16.848 -8.513 11.618 260 HA3 GLY 33 2HA GLY 33 -16.761 -7.413 12.987 261 H LEU 34 H LEU 34 -15.721 -6.955 9.623 262 HA LEU 34 HA LEU 34 -17.758 -4.852 9.352 263 HB2 LEU 34 1HB LEU 34 -14.857 -4.673 8.555 264 HB3 LEU 34 2HB LEU 34 -16.092 -3.498 8.110 265 HG LEU 34 HG LEU 34 -15.402 -4.111 10.973 266 HD11 LEU 34 1HD1 LEU 34 -14.268 -1.709 10.535 267 HD12 LEU 34 2HD1 LEU 34 -13.955 -2.490 8.986 268 HD13 LEU 34 3HD1 LEU 34 -13.387 -3.236 10.480 269 HD21 LEU 34 1HD2 LEU 34 -16.674 -1.692 9.703 270 HD22 LEU 34 2HD2 LEU 34 -16.481 -2.015 11.425 271 HD23 LEU 34 3HD2 LEU 34 -17.569 -3.010 10.457 272 HA PRO 35 HA PRO 35 -18.714 -6.865 5.553 273 HB2 PRO 35 1HB PRO 35 -19.991 -4.819 4.305 274 HB3 PRO 35 2HB PRO 35 -20.713 -5.734 5.634 275 HG2 PRO 35 1HG PRO 35 -19.351 -3.069 5.688 276 HG3 PRO 35 2HG PRO 35 -20.838 -3.582 6.507 277 HD2 PRO 35 1HD PRO 35 -18.452 -3.432 7.778 278 HD3 PRO 35 2HD PRO 35 -19.689 -4.631 8.206 279 H VAL 36 H VAL 36 -16.612 -7.149 4.707 280 HA VAL 36 HA VAL 36 -15.912 -5.196 2.626 281 HB VAL 36 HB VAL 36 -13.452 -5.898 3.181 282 HG11 VAL 36 1HG1 VAL 36 -13.255 -3.952 4.686 283 HG12 VAL 36 2HG1 VAL 36 -14.252 -3.618 3.270 284 HG13 VAL 36 3HG1 VAL 36 -15.011 -3.915 4.835 285 HG21 VAL 36 1HG2 VAL 36 -12.974 -6.471 5.403 286 HG22 VAL 36 2HG2 VAL 36 -14.604 -6.077 5.949 287 HG23 VAL 36 3HG2 VAL 36 -14.328 -7.512 4.963 288 H ALA 37 H ALA 37 -15.840 -6.149 0.710 289 HA ALA 37 HA ALA 37 -15.348 -9.048 0.590 290 HB1 ALA 37 1HB ALA 37 -17.473 -7.693 -0.386 291 HB2 ALA 37 2HB ALA 37 -16.419 -7.710 -1.800 292 HB3 ALA 37 3HB ALA 37 -16.894 -9.226 -1.035 293 H ARG 38 H ARG 38 -14.123 -5.973 -0.329 294 HA ARG 38 HA ARG 38 -11.732 -7.144 -1.381 295 HB2 ARG 38 1HB ARG 38 -11.850 -6.141 -3.612 296 HB3 ARG 38 2HB ARG 38 -13.147 -7.303 -3.371 297 HG2 ARG 38 1HG ARG 38 -14.685 -5.433 -2.886 298 HG3 ARG 38 2HG ARG 38 -13.377 -4.305 -3.252 299 HD2 ARG 38 1HD ARG 38 -13.298 -4.984 -5.515 300 HD3 ARG 38 2HD ARG 38 -14.307 -6.396 -5.202 301 HE ARG 38 HE ARG 38 -15.788 -4.134 -4.533 302 HH11 ARG 38 1HH1 ARG 38 -14.378 -5.602 -7.357 303 HH12 ARG 38 2HH1 ARG 38 -15.562 -4.958 -8.444 304 HH21 ARG 38 1HH2 ARG 38 -17.353 -3.279 -5.954 305 HH22 ARG 38 2HH2 ARG 38 -17.254 -3.635 -7.645 306 H VAL 39 H VAL 39 -10.283 -5.300 -2.310 307 HA VAL 39 HA VAL 39 -9.642 -3.529 -0.340 308 HB VAL 39 HB VAL 39 -9.230 -3.333 -3.312 309 HG11 VAL 39 1HG1 VAL 39 -7.664 -1.483 -2.888 310 HG12 VAL 39 2HG1 VAL 39 -9.329 -1.049 -2.499 311 HG13 VAL 39 3HG1 VAL 39 -8.193 -1.437 -1.207 312 HG21 VAL 39 1HG2 VAL 39 -6.892 -3.791 -2.682 313 HG22 VAL 39 2HG2 VAL 39 -7.385 -3.896 -0.991 314 HG23 VAL 39 3HG2 VAL 39 -7.991 -5.068 -2.161 315 H ALA 40 H ALA 40 -11.596 -2.748 -3.219 316 HA ALA 40 HA ALA 40 -12.175 -0.125 -2.772 317 HB1 ALA 40 1HB ALA 40 -14.290 -0.487 -3.961 318 HB2 ALA 40 2HB ALA 40 -12.948 -1.329 -4.736 319 HB3 ALA 40 3HB ALA 40 -14.102 -2.228 -3.753 320 H ASP 41 H ASP 41 -13.660 -2.915 -1.198 321 HA ASP 41 HA ASP 41 -15.597 -1.378 0.239 322 HB2 ASP 41 1HB ASP 41 -15.503 -3.961 -0.360 323 HB3 ASP 41 2HB ASP 41 -14.712 -4.057 1.211 324 H ALA 42 H ALA 42 -12.414 -2.718 0.982 325 HA ALA 42 HA ALA 42 -12.500 -1.703 3.699 326 HB1 ALA 42 1HB ALA 42 -10.006 -2.548 3.534 327 HB2 ALA 42 2HB ALA 42 -11.350 -3.675 3.724 328 HB3 ALA 42 3HB ALA 42 -10.639 -3.411 2.131 329 H ILE 43 H ILE 43 -12.169 -0.193 0.892 330 HA ILE 43 HA ILE 43 -9.773 1.255 1.044 331 HB ILE 43 HB ILE 43 -12.360 1.615 -0.357 332 HG12 ILE 43 1HG1 ILE 43 -9.453 1.770 -1.184 333 HG13 ILE 43 2HG1 ILE 43 -10.527 0.390 -1.397 334 HG21 ILE 43 1HG2 ILE 43 -11.635 3.860 -1.180 335 HG22 ILE 43 2HG2 ILE 43 -12.133 3.828 0.511 336 HG23 ILE 43 3HG2 ILE 43 -10.419 3.873 0.096 337 HD11 ILE 43 1HD1 ILE 43 -10.464 2.983 -2.862 338 HD12 ILE 43 2HD1 ILE 43 -10.529 1.335 -3.488 339 HD13 ILE 43 3HD1 ILE 43 -11.964 2.061 -2.765 340 HA PRO 44 HA PRO 44 -12.256 4.711 3.334 341 HB2 PRO 44 1HB PRO 44 -14.735 4.071 4.239 342 HB3 PRO 44 2HB PRO 44 -14.444 4.744 2.631 343 HG2 PRO 44 1HG PRO 44 -14.885 1.896 3.441 344 HG3 PRO 44 2HG PRO 44 -15.548 2.780 2.055 345 HD2 PRO 44 1HD PRO 44 -13.447 1.087 1.833 346 HD3 PRO 44 2HD PRO 44 -13.622 2.530 0.814 347 H TYR 45 H TYR 45 -13.051 1.432 4.450 348 HA TYR 45 HA TYR 45 -13.002 2.007 7.208 349 HB2 TYR 45 1HB TYR 45 -12.475 -0.602 5.771 350 HB3 TYR 45 2HB TYR 45 -12.768 -0.443 7.499 351 HD1 TYR 45 2HD TYR 45 -15.008 1.160 7.891 352 HD2 TYR 45 1HD TYR 45 -14.270 -1.459 4.621 353 HE1 TYR 45 2HE TYR 45 -17.429 0.976 7.500 354 HE2 TYR 45 1HE TYR 45 -16.689 -1.650 4.219 355 HH TYR 45 HH TYR 45 -18.991 -0.760 6.415 356 H CYS 46 H CYS 46 -10.526 2.074 4.988 357 HA CYS 46 HA CYS 46 -8.498 1.508 7.048 358 HB2 CYS 46 1HB CYS 46 -8.454 1.207 4.058 359 HB3 CYS 46 2HB CYS 46 -6.955 1.373 4.964 360 HG CYS 46 HG CYS 46 -7.285 -1.323 4.429 361 H SER 47 H SER 47 -9.667 3.804 4.694 362 HA SER 47 HA SER 47 -7.728 5.612 4.320 363 HB2 SER 47 1HB SER 47 -10.247 5.784 3.765 364 HB3 SER 47 2HB SER 47 -10.393 6.589 5.327 365 HG SER 47 HG SER 47 -9.865 8.297 4.215 366 H SER 48 H SER 48 -9.228 4.890 7.378 367 HA SER 48 HA SER 48 -8.178 7.169 8.761 368 HB2 SER 48 1HB SER 48 -9.334 4.568 9.794 369 HB3 SER 48 2HB SER 48 -8.921 5.952 10.806 370 HG SER 48 HG SER 48 -10.580 6.412 8.615 371 H ASP 49 H ASP 49 -7.387 3.694 8.803 372 HA ASP 49 HA ASP 49 -5.126 3.928 10.461 373 HB2 ASP 49 1HB ASP 49 -6.488 1.824 9.678 374 HB3 ASP 49 2HB ASP 49 -5.307 1.789 8.373 375 H TRP 50 H TRP 50 -5.485 3.978 6.944 376 HA TRP 50 HA TRP 50 -2.770 3.971 6.266 377 HB2 TRP 50 1HB TRP 50 -4.479 3.606 4.587 378 HB3 TRP 50 2HB TRP 50 -5.125 5.226 4.841 379 HD1 TRP 50 HD TRP 50 -4.220 7.060 3.286 380 HE1 TRP 50 1HE TRP 50 -2.275 7.246 1.611 381 HE3 TRP 50 3HE TRP 50 -1.891 2.613 4.251 382 HZ2 TRP 50 2HZ TRP 50 -0.047 5.711 0.806 383 HZ3 TRP 50 3HZ TRP 50 0.142 2.047 2.984 384 HH2 TRP 50 HH TRP 50 1.042 3.565 1.297 385 H ALA 51 H ALA 51 -4.915 6.590 7.220 386 HA ALA 51 HA ALA 51 -3.177 8.724 6.557 387 HB1 ALA 51 1HB ALA 51 -4.758 9.561 8.708 388 HB2 ALA 51 2HB ALA 51 -5.067 9.805 6.989 389 HB3 ALA 51 3HB ALA 51 -5.742 8.400 7.815 390 H LEU 52 H LEU 52 -3.159 6.435 9.099 391 HA LEU 52 HA LEU 52 -1.697 8.058 10.978 392 HB2 LEU 52 1HB LEU 52 -2.162 5.080 10.917 393 HB3 LEU 52 2HB LEU 52 -1.491 5.990 12.270 394 HG LEU 52 HG LEU 52 -4.241 6.573 11.217 395 HD11 LEU 52 1HD1 LEU 52 -5.222 4.900 12.421 396 HD12 LEU 52 2HD1 LEU 52 -3.873 4.765 13.548 397 HD13 LEU 52 3HD1 LEU 52 -3.737 4.085 11.926 398 HD21 LEU 52 1HD2 LEU 52 -3.512 8.243 12.684 399 HD22 LEU 52 2HD2 LEU 52 -2.731 7.086 13.761 400 HD23 LEU 52 3HD2 LEU 52 -4.491 7.176 13.690 401 H LEU 53 H LEU 53 -0.957 5.788 8.437 402 HA LEU 53 HA LEU 53 1.632 5.049 9.073 403 HB2 LEU 53 1HB LEU 53 0.159 5.438 6.513 404 HB3 LEU 53 2HB LEU 53 1.897 5.151 6.458 405 HG LEU 53 HG LEU 53 0.102 3.275 7.950 406 HD11 LEU 53 1HD1 LEU 53 -1.018 2.952 6.023 407 HD12 LEU 53 2HD1 LEU 53 0.410 2.008 5.598 408 HD13 LEU 53 3HD1 LEU 53 0.254 3.673 5.035 409 HD21 LEU 53 1HD2 LEU 53 2.849 3.449 7.497 410 HD22 LEU 53 2HD2 LEU 53 2.285 2.159 6.436 411 HD23 LEU 53 3HD2 LEU 53 1.963 2.080 8.168 412 H ARG 54 H ARG 54 3.681 5.816 8.200 413 HA ARG 54 HA ARG 54 3.779 8.750 8.189 414 HB2 ARG 54 1HB ARG 54 6.120 6.883 8.538 415 HB3 ARG 54 2HB ARG 54 6.024 8.590 8.950 416 HG2 ARG 54 1HG ARG 54 4.215 7.902 10.618 417 HG3 ARG 54 2HG ARG 54 4.788 6.253 10.359 418 HD2 ARG 54 1HD ARG 54 7.089 7.066 10.942 419 HD3 ARG 54 2HD ARG 54 6.356 8.600 11.407 420 HE ARG 54 HE ARG 54 5.028 6.546 12.761 421 HH11 ARG 54 1HH1 ARG 54 8.163 8.057 12.659 422 HH12 ARG 54 2HH1 ARG 54 8.523 7.720 14.319 423 HH21 ARG 54 1HH2 ARG 54 5.492 6.096 14.948 424 HH22 ARG 54 2HH2 ARG 54 7.004 6.604 15.620 425 H GLU 55 H GLU 55 5.447 9.762 6.797 426 HA GLU 55 HA GLU 55 5.050 9.300 4.127 427 HB2 GLU 55 1HB GLU 55 7.470 10.488 5.490 428 HB3 GLU 55 2HB GLU 55 7.191 10.561 3.756 429 HG2 GLU 55 1HG GLU 55 5.346 11.972 3.991 430 HG3 GLU 55 2HG GLU 55 5.176 11.609 5.708 431 H GLU 56 H GLU 56 7.742 8.095 6.111 432 HA GLU 56 HA GLU 56 9.189 6.788 4.150 433 HB2 GLU 56 1HB GLU 56 8.769 5.927 7.017 434 HB3 GLU 56 2HB GLU 56 10.045 5.344 5.960 435 HG2 GLU 56 1HG GLU 56 9.686 8.219 6.767 436 HG3 GLU 56 2HG GLU 56 10.778 7.083 7.559 437 H GLU 57 H GLU 57 6.626 5.421 6.215 438 HA GLU 57 HA GLU 57 6.578 2.863 5.143 439 HB2 GLU 57 1HB GLU 57 4.109 4.334 6.052 440 HB3 GLU 57 2HB GLU 57 4.429 2.608 6.131 441 HG2 GLU 57 1HG GLU 57 5.497 4.804 7.845 442 HG3 GLU 57 2HG GLU 57 4.712 3.298 8.316 443 H LYS 58 H LYS 58 4.453 5.591 4.268 444 HA LYS 58 HA LYS 58 3.041 4.453 2.217 445 HB2 LYS 58 1HB LYS 58 4.121 7.277 2.251 446 HB3 LYS 58 2HB LYS 58 2.752 6.703 1.307 447 HG2 LYS 58 1HG LYS 58 1.664 6.095 3.511 448 HG3 LYS 58 2HG LYS 58 2.948 7.027 4.285 449 HD2 LYS 58 1HD LYS 58 2.220 9.034 3.352 450 HD3 LYS 58 2HD LYS 58 1.301 8.221 2.083 451 HE2 LYS 58 1HE LYS 58 -0.208 7.340 3.889 452 HE3 LYS 58 2HE LYS 58 0.632 8.404 5.015 453 HZ1 LYS 58 1HZ LYS 58 -0.690 10.041 4.380 454 HZ2 LYS 58 2HZ LYS 58 -1.472 9.030 3.273 455 HZ3 LYS 58 3HZ LYS 58 -0.115 9.920 2.793 456 H GLU 59 H GLU 59 6.227 6.008 1.999 457 HA GLU 59 HA GLU 59 6.579 5.748 -0.763 458 HB2 GLU 59 1HB GLU 59 7.988 7.068 0.918 459 HB3 GLU 59 2HB GLU 59 8.822 5.554 1.236 460 HG2 GLU 59 1HG GLU 59 8.656 6.979 -1.408 461 HG3 GLU 59 2HG GLU 59 10.063 6.883 -0.350 462 H LYS 60 H LYS 60 7.669 3.607 1.864 463 HA LYS 60 HA LYS 60 8.934 1.665 0.370 464 HB2 LYS 60 1HB LYS 60 9.114 1.500 2.713 465 HB3 LYS 60 2HB LYS 60 7.370 1.519 2.935 466 HG2 LYS 60 1HG LYS 60 7.286 -0.711 1.811 467 HG3 LYS 60 2HG LYS 60 9.050 -0.724 1.844 468 HD2 LYS 60 1HD LYS 60 8.491 -1.905 3.764 469 HD3 LYS 60 2HD LYS 60 8.764 -0.273 4.378 470 HE2 LYS 60 1HE LYS 60 6.306 0.122 4.206 471 HE3 LYS 60 2HE LYS 60 6.112 -1.577 3.780 472 HZ1 LYS 60 1HZ LYS 60 6.233 -0.475 6.321 473 HZ2 LYS 60 2HZ LYS 60 7.667 -1.352 6.124 474 HZ3 LYS 60 3HZ LYS 60 6.172 -2.115 5.913 475 H TYR 61 H TYR 61 5.501 1.741 1.319 476 HA TYR 61 HA TYR 61 4.716 -0.604 0.029 477 HB2 TYR 61 1HB TYR 61 3.288 1.873 0.908 478 HB3 TYR 61 2HB TYR 61 2.432 0.708 -0.096 479 HD1 TYR 61 2HD TYR 61 1.900 -1.515 0.755 480 HD2 TYR 61 1HD TYR 61 3.905 1.342 3.189 481 HE1 TYR 61 2HE TYR 61 1.398 -2.868 2.747 482 HE2 TYR 61 1HE TYR 61 3.409 -0.004 5.187 483 HH TYR 61 HH TYR 61 1.144 -2.379 5.288 484 H ALA 62 H ALA 62 4.791 2.735 -1.163 485 HA ALA 62 HA ALA 62 3.670 2.212 -3.693 486 HB1 ALA 62 1HB ALA 62 4.871 4.448 -2.333 487 HB2 ALA 62 2HB ALA 62 5.402 4.376 -4.014 488 HB3 ALA 62 3HB ALA 62 3.680 4.433 -3.635 489 H GLU 63 H GLU 63 6.990 2.145 -2.509 490 HA GLU 63 HA GLU 63 8.277 1.881 -4.996 491 HB2 GLU 63 1HB GLU 63 9.199 2.269 -2.544 492 HB3 GLU 63 2HB GLU 63 9.384 0.521 -2.580 493 HG2 GLU 63 1HG GLU 63 11.391 1.907 -3.254 494 HG3 GLU 63 2HG GLU 63 10.919 0.602 -4.339 495 H MET 64 H MET 64 7.425 -0.630 -2.608 496 HA MET 64 HA MET 64 8.189 -2.827 -4.156 497 HB2 MET 64 1HB MET 64 6.866 -4.171 -2.642 498 HB3 MET 64 2HB MET 64 7.695 -2.916 -1.730 499 HG2 MET 64 1HG MET 64 5.754 -1.762 -1.290 500 HG3 MET 64 2HG MET 64 4.909 -2.447 -2.676 501 HE1 MET 64 1HE MET 64 4.219 -2.509 1.023 502 HE2 MET 64 2HE MET 64 5.137 -3.915 1.565 503 HE3 MET 64 3HE MET 64 5.970 -2.556 0.809 504 H ALA 65 H ALA 65 5.244 -0.937 -4.133 505 HA ALA 65 HA ALA 65 3.643 -2.729 -5.632 506 HB1 ALA 65 1HB ALA 65 2.782 -0.102 -6.167 507 HB2 ALA 65 2HB ALA 65 2.117 -1.247 -5.001 508 HB3 ALA 65 3HB ALA 65 3.375 -0.114 -4.506 509 H ARG 66 H ARG 66 5.680 0.025 -6.555 510 HA ARG 66 HA ARG 66 5.057 -0.065 -9.315 511 HB2 ARG 66 1HB ARG 66 7.453 1.065 -7.860 512 HB3 ARG 66 2HB ARG 66 7.132 1.309 -9.572 513 HG2 ARG 66 1HG ARG 66 5.266 2.642 -9.156 514 HG3 ARG 66 2HG ARG 66 5.119 2.074 -7.492 515 HD2 ARG 66 1HD ARG 66 5.995 4.320 -7.496 516 HD3 ARG 66 2HD ARG 66 7.249 3.204 -6.956 517 HE ARG 66 HE ARG 66 8.475 3.712 -8.833 518 HH11 ARG 66 1HH1 ARG 66 5.246 4.970 -9.165 519 HH12 ARG 66 2HH1 ARG 66 5.613 5.898 -10.581 520 HH21 ARG 66 1HH2 ARG 66 8.970 4.930 -10.697 521 HH22 ARG 66 2HH2 ARG 66 7.731 5.874 -11.452 522 H GLU 67 H GLU 67 7.529 -1.614 -7.344 523 HA GLU 67 HA GLU 67 9.073 -2.636 -9.488 524 HB2 GLU 67 1HB GLU 67 8.800 -3.707 -6.673 525 HB3 GLU 67 2HB GLU 67 10.082 -4.103 -7.809 526 HG2 GLU 67 1HG GLU 67 11.119 -2.080 -7.563 527 HG3 GLU 67 2HG GLU 67 9.633 -1.249 -7.109 528 H TRP 68 H TRP 68 6.429 -3.991 -7.561 529 HA TRP 68 HA TRP 68 6.470 -6.561 -8.731 530 HB2 TRP 68 1HB TRP 68 5.339 -6.312 -6.651 531 HB3 TRP 68 2HB TRP 68 4.322 -5.019 -7.279 532 HD1 TRP 68 HD TRP 68 4.815 -8.833 -7.691 533 HE1 TRP 68 1HE TRP 68 2.559 -9.858 -8.386 534 HE3 TRP 68 3HE TRP 68 2.095 -4.535 -8.205 535 HZ2 TRP 68 2HZ TRP 68 -0.032 -8.963 -9.062 536 HZ3 TRP 68 3HZ TRP 68 -0.265 -4.707 -8.879 537 HH2 TRP 68 HH TRP 68 -1.304 -6.876 -9.299 538 H ARG 69 H ARG 69 4.536 -3.664 -9.435 539 HA ARG 69 HA ARG 69 2.963 -4.767 -11.472 540 HB2 ARG 69 1HB ARG 69 3.752 -2.011 -10.665 541 HB3 ARG 69 2HB ARG 69 3.045 -2.223 -12.260 542 HG2 ARG 69 1HG ARG 69 1.656 -3.462 -9.949 543 HG3 ARG 69 2HG ARG 69 1.570 -1.710 -10.136 544 HD2 ARG 69 1HD ARG 69 1.048 -3.401 -12.523 545 HD3 ARG 69 2HD ARG 69 -0.192 -3.331 -11.270 546 HE ARG 69 HE ARG 69 0.527 -0.717 -11.803 547 HH11 ARG 69 1HH1 ARG 69 -0.843 -3.400 -13.548 548 HH12 ARG 69 2HH1 ARG 69 -1.751 -2.400 -14.633 549 HH21 ARG 69 1HH2 ARG 69 -0.665 0.611 -13.225 550 HH22 ARG 69 2HH2 ARG 69 -1.648 -0.119 -14.449 551 H ALA 70 H ALA 70 6.078 -3.078 -11.620 552 HA ALA 70 HA ALA 70 6.345 -3.059 -14.415 553 HB1 ALA 70 1HB ALA 70 8.782 -3.331 -12.742 554 HB2 ALA 70 2HB ALA 70 8.434 -2.219 -14.067 555 HB3 ALA 70 3HB ALA 70 7.746 -1.929 -12.469 556 H ALA 71 H ALA 71 7.670 -5.334 -12.011 557 HA ALA 71 HA ALA 71 8.903 -7.071 -13.826 558 HB1 ALA 71 1HB ALA 71 7.964 -8.570 -11.601 559 HB2 ALA 71 2HB ALA 71 9.594 -7.978 -11.925 560 HB3 ALA 71 3HB ALA 71 8.453 -6.974 -11.031 561 H GLN 72 H GLN 72 5.592 -6.913 -12.651 562 HA GLN 72 HA GLN 72 4.810 -9.405 -13.839 563 HB2 GLN 72 1HB GLN 72 3.275 -7.125 -12.605 564 HB3 GLN 72 2HB GLN 72 2.470 -8.508 -13.335 565 HG2 GLN 72 1HG GLN 72 4.361 -8.555 -10.996 566 HG3 GLN 72 2HG GLN 72 2.618 -8.811 -10.956 567 HE21 GLN 72 1HE2 GLN 72 5.624 -10.269 -11.183 568 HE22 GLN 72 2HE2 GLN 72 5.110 -11.855 -11.636 569 H GLY 73 H GLY 73 5.025 -6.110 -14.873 570 HA2 GLY 73 1HA GLY 73 3.200 -6.364 -17.079 571 HA3 GLY 73 2HA GLY 73 4.312 -5.033 -16.791 572 H LYS 74 H LYS 74 6.738 -5.913 -16.967 573 HA LYS 74 HA LYS 74 6.945 -6.868 -19.704 574 HB2 LYS 74 1HB LYS 74 9.271 -6.200 -19.573 575 HB3 LYS 74 2HB LYS 74 8.252 -4.904 -18.960 576 HG2 LYS 74 1HG LYS 74 8.737 -5.755 -16.647 577 HG3 LYS 74 2HG LYS 74 9.938 -6.823 -17.375 578 HD2 LYS 74 1HD LYS 74 9.945 -3.847 -17.815 579 HD3 LYS 74 2HD LYS 74 10.781 -4.605 -16.458 580 HE2 LYS 74 1HE LYS 74 11.824 -6.109 -18.322 581 HE3 LYS 74 2HE LYS 74 11.351 -4.786 -19.386 582 HZ1 LYS 74 1HZ LYS 74 12.551 -3.414 -17.481 583 HZ2 LYS 74 2HZ LYS 74 13.391 -4.049 -18.805 584 HZ3 LYS 74 3HZ LYS 74 13.407 -4.865 -17.322 585 H ASP 75 H ASP 75 6.043 -8.803 -17.868 586 HA ASP 75 HA ASP 75 7.714 -10.498 -16.625 587 HB2 ASP 75 1HB ASP 75 5.178 -10.738 -17.366 588 HB3 ASP 75 2HB ASP 75 5.882 -11.765 -18.611 589 HA PRO 76 HA PRO 76 10.849 -11.767 -19.445 590 HB2 PRO 76 1HB PRO 76 11.656 -14.026 -18.174 591 HB3 PRO 76 2HB PRO 76 12.043 -12.404 -17.588 592 HG2 PRO 76 1HG PRO 76 9.892 -14.280 -16.685 593 HG3 PRO 76 2HG PRO 76 10.975 -13.267 -15.713 594 HD2 PRO 76 1HD PRO 76 8.414 -12.568 -16.247 595 HD3 PRO 76 2HD PRO 76 9.710 -11.371 -16.051 596 H GLY 77 H GLY 77 8.052 -13.648 -18.744 597 HA2 GLY 77 1HA GLY 77 8.524 -15.206 -21.204 598 HA3 GLY 77 2HA GLY 77 7.923 -15.988 -19.749 599 HA PRO 78 HA PRO 78 3.846 -15.251 -21.211 600 HB2 PRO 78 1HB PRO 78 2.499 -15.453 -18.862 601 HB3 PRO 78 2HB PRO 78 3.176 -16.852 -19.704 602 HG2 PRO 78 1HG PRO 78 4.284 -15.319 -17.384 603 HG3 PRO 78 2HG PRO 78 4.228 -17.073 -17.642 604 HD2 PRO 78 1HD PRO 78 6.462 -15.608 -18.076 605 HD3 PRO 78 2HD PRO 78 6.071 -17.055 -19.026 606 H SER 79 H SER 79 3.385 -13.241 -21.888 607 HA SER 79 HA SER 79 3.522 -10.985 -20.069 608 HB2 SER 79 1HB SER 79 3.127 -9.610 -22.028 609 HB3 SER 79 2HB SER 79 4.348 -10.822 -22.419 610 HG SER 79 HG SER 79 1.625 -11.308 -22.944 611 H GLU 80 H GLU 80 1.836 -9.959 -19.160 612 HA GLU 80 HA GLU 80 -0.875 -10.546 -20.084 613 HB2 GLU 80 1HB GLU 80 0.216 -11.120 -17.350 614 HB3 GLU 80 2HB GLU 80 -1.480 -10.709 -17.553 615 HG2 GLU 80 1HG GLU 80 -1.526 -12.584 -19.296 616 HG3 GLU 80 2HG GLU 80 0.011 -13.086 -18.594 617 H LYS 81 H LYS 81 -2.463 -9.017 -19.363 618 HA LYS 81 HA LYS 81 -1.617 -6.664 -17.928 619 HB2 LYS 81 1HB LYS 81 -2.304 -6.507 -20.867 620 HB3 LYS 81 2HB LYS 81 -2.226 -5.114 -19.797 621 HG2 LYS 81 1HG LYS 81 0.166 -5.794 -19.315 622 HG3 LYS 81 2HG LYS 81 0.013 -6.910 -20.675 623 HD2 LYS 81 1HD LYS 81 -0.635 -3.989 -20.943 624 HD3 LYS 81 2HD LYS 81 1.010 -4.597 -21.142 625 HE2 LYS 81 1HE LYS 81 0.303 -4.696 -23.309 626 HE3 LYS 81 2HE LYS 81 -0.197 -6.297 -22.765 627 HZ1 LYS 81 1HZ LYS 81 -2.405 -5.185 -22.230 628 HZ2 LYS 81 2HZ LYS 81 -2.046 -5.440 -23.863 629 HZ3 LYS 81 3HZ LYS 81 -1.869 -3.898 -23.190 630 H GLN 82 H GLN 82 -3.276 -6.060 -16.712 631 HA GLN 82 HA GLN 82 -5.889 -7.147 -17.122 632 HB2 GLN 82 1HB GLN 82 -4.612 -5.367 -15.091 633 HB3 GLN 82 2HB GLN 82 -6.367 -5.427 -15.175 634 HG2 GLN 82 1HG GLN 82 -6.125 -7.956 -15.010 635 HG3 GLN 82 2HG GLN 82 -4.454 -7.644 -14.542 636 HE21 GLN 82 1HE2 GLN 82 -7.788 -6.808 -13.721 637 HE22 GLN 82 2HE2 GLN 82 -7.516 -6.639 -12.024 638 H LYS 83 H LYS 83 -7.808 -5.522 -16.793 639 HA LYS 83 HA LYS 83 -7.422 -3.197 -18.554 640 HB2 LYS 83 1HB LYS 83 -8.574 -5.370 -19.538 641 HB3 LYS 83 2HB LYS 83 -9.979 -4.733 -18.695 642 HG2 LYS 83 1HG LYS 83 -10.032 -2.795 -20.005 643 HG3 LYS 83 2HG LYS 83 -8.387 -3.046 -20.595 644 HD2 LYS 83 1HD LYS 83 -10.517 -5.067 -21.173 645 HD3 LYS 83 2HD LYS 83 -10.407 -3.595 -22.140 646 HE2 LYS 83 1HE LYS 83 -8.216 -4.127 -22.864 647 HE3 LYS 83 2HE LYS 83 -8.059 -5.415 -21.670 648 HZ1 LYS 83 1HZ LYS 83 -10.276 -5.723 -23.498 649 HZ2 LYS 83 2HZ LYS 83 -9.141 -6.861 -22.972 650 HZ3 LYS 83 3HZ LYS 83 -8.753 -5.799 -24.230 651 HA PRO 84 HA PRO 84 -9.495 -1.001 -15.344 652 HB2 PRO 84 1HB PRO 84 -10.234 1.191 -16.764 653 HB3 PRO 84 2HB PRO 84 -8.568 0.893 -16.254 654 HG2 PRO 84 1HG PRO 84 -9.851 0.402 -18.914 655 HG3 PRO 84 2HG PRO 84 -8.259 1.094 -18.551 656 HD2 PRO 84 1HD PRO 84 -8.590 -1.483 -19.312 657 HD3 PRO 84 2HD PRO 84 -7.303 -0.974 -18.201 658 H VAL 85 H VAL 85 -11.570 -0.448 -14.632 659 HA VAL 85 HA VAL 85 -13.703 -1.949 -15.676 660 HB VAL 85 HB VAL 85 -15.140 -0.599 -14.138 661 HG11 VAL 85 1HG1 VAL 85 -12.722 -1.398 -12.593 662 HG12 VAL 85 2HG1 VAL 85 -14.425 -1.732 -12.274 663 HG13 VAL 85 3HG1 VAL 85 -13.573 -2.617 -13.540 664 HG21 VAL 85 1HG2 VAL 85 -13.611 0.811 -12.512 665 HG22 VAL 85 2HG2 VAL 85 -12.627 0.983 -13.966 666 HG23 VAL 85 3HG2 VAL 85 -14.306 1.524 -13.967 667 H PHE 86 H PHE 86 -12.693 1.363 -16.202 668 HA PHE 86 HA PHE 86 -14.118 1.597 -18.621 669 HB2 PHE 86 1HB PHE 86 -16.132 1.843 -17.421 670 HB3 PHE 86 2HB PHE 86 -15.374 2.840 -16.184 671 HD1 PHE 86 2HD PHE 86 -14.840 5.190 -16.641 672 HD2 PHE 86 1HD PHE 86 -16.934 2.783 -19.458 673 HE1 PHE 86 2HE PHE 86 -15.559 7.218 -17.834 674 HE2 PHE 86 1HE PHE 86 -17.655 4.807 -20.656 675 HZ PHE 86 HZ PHE 86 -16.970 7.029 -19.844 676 H THR 87 H THR 87 -13.058 3.033 -19.822 677 HA THR 87 HA THR 87 -11.644 5.235 -18.472 678 HB THR 87 HB THR 87 -10.531 3.716 -20.834 679 HG1 THR 87 1HG THR 87 -9.249 2.630 -19.377 680 HG21 THR 87 1HG2 THR 87 -9.176 5.487 -20.963 681 HG22 THR 87 2HG2 THR 87 -8.504 4.995 -19.408 682 HG23 THR 87 3HG2 THR 87 -9.822 6.165 -19.469 683 H SER 88 H SER 88 -11.651 7.194 -19.498 684 HA SER 88 HA SER 88 -12.906 7.356 -22.147 685 HB2 SER 88 1HB SER 88 -14.519 7.823 -20.179 686 HB3 SER 88 2HB SER 88 -13.618 9.326 -19.985 687 HG SER 88 HG SER 88 -14.089 9.351 -22.464 688 H GLY 89 H GLY 89 -11.977 8.786 -23.502 689 HA2 GLY 89 1HA GLY 89 -9.700 10.313 -22.450 690 HA3 GLY 89 2HA GLY 89 -9.947 9.866 -24.130 691 HA PRO 90 HA PRO 90 -11.058 14.324 -23.737 692 HB2 PRO 90 1HB PRO 90 -9.883 15.050 -26.075 693 HB3 PRO 90 2HB PRO 90 -8.999 14.944 -24.547 694 HG2 PRO 90 1HG PRO 90 -9.143 12.969 -26.793 695 HG3 PRO 90 2HG PRO 90 -7.735 13.490 -25.849 696 HD2 PRO 90 1HD PRO 90 -9.029 11.160 -25.370 697 HD3 PRO 90 2HD PRO 90 -8.247 12.099 -24.083 698 H SER 91 H SER 91 -13.258 13.636 -24.058 699 HA SER 91 HA SER 91 -14.323 14.441 -26.568 700 HB2 SER 91 1HB SER 91 -13.496 11.974 -26.872 701 HB3 SER 91 2HB SER 91 -14.951 11.570 -25.959 702 HG SER 91 HG SER 91 -15.752 11.631 -27.934 703 H SER 92 H SER 92 -16.710 14.292 -26.607 704 HA SER 92 HA SER 92 -17.775 15.013 -24.051 705 HB2 SER 92 1HB SER 92 -19.121 14.639 -26.737 706 HB3 SER 92 2HB SER 92 -19.914 15.292 -25.305 707 HG SER 92 HG SER 92 -18.417 17.001 -25.329 708 H GLY 93 H GLY 93 -17.442 13.051 -22.863 709 HA2 GLY 93 1HA GLY 93 -18.958 11.466 -21.807 710 HA3 GLY 93 2HA GLY 93 -19.547 11.055 -23.412 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.712 17.684 -6.868 2 HA2 GLY 1 1HA GLY 1 12.949 17.055 -7.046 3 HA3 GLY 1 2HA GLY 1 12.729 17.839 -8.604 4 H SER 2 H SER 2 15.215 17.725 -7.457 5 HA SER 2 HA SER 2 15.764 20.149 -6.002 6 HB2 SER 2 1HB SER 2 17.121 18.171 -5.576 7 HB3 SER 2 2HB SER 2 17.622 18.120 -7.266 8 HG SER 2 HG SER 2 18.505 20.285 -6.857 9 H SER 3 H SER 3 14.902 21.698 -7.491 10 HA SER 3 HA SER 3 14.956 23.166 -9.240 11 HB2 SER 3 1HB SER 3 17.933 22.745 -8.873 12 HB3 SER 3 2HB SER 3 17.192 24.095 -9.731 13 HG SER 3 HG SER 3 16.819 23.461 -6.988 14 H GLY 4 H GLY 4 14.273 20.809 -10.242 15 HA2 GLY 4 1HA GLY 4 15.704 20.753 -12.809 16 HA3 GLY 4 2HA GLY 4 15.449 19.244 -11.944 17 H SER 5 H SER 5 14.381 20.791 -14.500 18 HA SER 5 HA SER 5 11.573 20.907 -14.174 19 HB2 SER 5 1HB SER 5 13.168 20.528 -16.720 20 HB3 SER 5 2HB SER 5 11.486 21.047 -16.619 21 HG SER 5 HG SER 5 12.170 22.995 -16.288 22 H SER 6 H SER 6 9.982 19.434 -14.551 23 HA SER 6 HA SER 6 10.597 16.692 -14.260 24 HB2 SER 6 1HB SER 6 8.049 18.154 -14.948 25 HB3 SER 6 2HB SER 6 8.115 16.399 -14.803 26 HG SER 6 HG SER 6 8.064 16.629 -12.725 27 H GLY 7 H GLY 7 9.448 15.057 -15.824 28 HA2 GLY 7 1HA GLY 7 9.210 15.563 -18.556 29 HA3 GLY 7 2HA GLY 7 10.886 15.127 -18.259 30 H MET 8 H MET 8 7.719 13.959 -17.101 31 HA MET 8 HA MET 8 8.584 11.240 -17.840 32 HB2 MET 8 1HB MET 8 7.158 12.253 -15.409 33 HB3 MET 8 2HB MET 8 6.869 10.608 -15.961 34 HG2 MET 8 1HG MET 8 9.147 10.018 -15.669 35 HG3 MET 8 2HG MET 8 9.611 11.697 -15.404 36 HE1 MET 8 1HE MET 8 10.466 12.053 -12.811 37 HE2 MET 8 2HE MET 8 10.352 10.556 -11.886 38 HE3 MET 8 3HE MET 8 10.957 10.525 -13.543 39 HA PRO 9 HA PRO 9 5.037 11.054 -20.440 40 HB2 PRO 9 1HB PRO 9 4.737 8.357 -20.571 41 HB3 PRO 9 2HB PRO 9 6.030 9.222 -21.410 42 HG2 PRO 9 1HG PRO 9 6.121 7.733 -18.815 43 HG3 PRO 9 2HG PRO 9 7.291 7.732 -20.147 44 HD2 PRO 9 1HD PRO 9 7.651 9.189 -17.893 45 HD3 PRO 9 2HD PRO 9 8.243 9.722 -19.480 46 H ASN 10 H ASN 10 2.931 11.308 -20.043 47 HA ASN 10 HA ASN 10 1.773 10.935 -17.533 48 HB2 ASN 10 1HB ASN 10 0.968 12.440 -19.424 49 HB3 ASN 10 2HB ASN 10 0.224 11.005 -20.123 50 HD21 ASN 10 1HD2 ASN 10 -1.676 12.473 -19.827 51 HD22 ASN 10 2HD2 ASN 10 -2.529 12.364 -18.328 52 H ARG 11 H ARG 11 1.059 9.189 -16.514 53 HA ARG 11 HA ARG 11 0.258 6.849 -18.113 54 HB2 ARG 11 1HB ARG 11 1.193 5.417 -16.306 55 HB3 ARG 11 2HB ARG 11 2.414 6.355 -17.156 56 HG2 ARG 11 1HG ARG 11 3.079 6.653 -14.993 57 HG3 ARG 11 2HG ARG 11 2.028 8.054 -15.200 58 HD2 ARG 11 1HD ARG 11 0.175 6.771 -14.193 59 HD3 ARG 11 2HD ARG 11 1.282 5.425 -13.926 60 HE ARG 11 HE ARG 11 1.014 7.745 -12.315 61 HH11 ARG 11 1HH1 ARG 11 3.363 5.475 -13.520 62 HH12 ARG 11 2HH1 ARG 11 4.448 5.693 -12.188 63 HH21 ARG 11 1HH2 ARG 11 2.435 8.039 -10.556 64 HH22 ARG 11 2HH2 ARG 11 3.920 7.151 -10.502 65 H LYS 12 H LYS 12 -1.287 5.432 -17.094 66 HA LYS 12 HA LYS 12 -2.899 6.774 -15.024 67 HB2 LYS 12 1HB LYS 12 -3.781 5.288 -17.492 68 HB3 LYS 12 2HB LYS 12 -4.863 5.561 -16.133 69 HG2 LYS 12 1HG LYS 12 -5.348 7.292 -17.608 70 HG3 LYS 12 2HG LYS 12 -4.289 8.036 -16.408 71 HD2 LYS 12 1HD LYS 12 -2.415 7.921 -17.884 72 HD3 LYS 12 2HD LYS 12 -3.311 6.926 -19.033 73 HE2 LYS 12 1HE LYS 12 -4.167 9.711 -18.282 74 HE3 LYS 12 2HE LYS 12 -3.051 9.387 -19.608 75 HZ1 LYS 12 1HZ LYS 12 -5.878 9.163 -19.556 76 HZ2 LYS 12 2HZ LYS 12 -5.182 7.684 -19.991 77 HZ3 LYS 12 3HZ LYS 12 -4.824 9.079 -20.878 78 H ALA 13 H ALA 13 -1.779 5.549 -13.423 79 HA ALA 13 HA ALA 13 -2.096 2.651 -13.484 80 HB1 ALA 13 1HB ALA 13 -0.802 2.816 -11.297 81 HB2 ALA 13 2HB ALA 13 0.046 3.293 -12.768 82 HB3 ALA 13 3HB ALA 13 -0.594 4.525 -11.680 83 H SER 14 H SER 14 -3.213 1.473 -11.917 84 HA SER 14 HA SER 14 -5.289 3.012 -10.513 85 HB2 SER 14 1HB SER 14 -6.627 0.968 -10.546 86 HB3 SER 14 2HB SER 14 -6.089 1.362 -12.179 87 HG SER 14 HG SER 14 -5.400 -0.768 -10.542 88 H ARG 15 H ARG 15 -3.020 0.319 -10.118 89 HA ARG 15 HA ARG 15 -3.578 0.132 -7.281 90 HB2 ARG 15 1HB ARG 15 -1.712 -1.335 -9.136 91 HB3 ARG 15 2HB ARG 15 -1.674 -1.573 -7.394 92 HG2 ARG 15 1HG ARG 15 -3.893 -2.427 -7.382 93 HG3 ARG 15 2HG ARG 15 -4.141 -1.964 -9.067 94 HD2 ARG 15 1HD ARG 15 -2.040 -3.518 -9.435 95 HD3 ARG 15 2HD ARG 15 -2.592 -4.233 -7.921 96 HE ARG 15 HE ARG 15 -4.331 -5.183 -9.057 97 HH11 ARG 15 1HH1 ARG 15 -3.005 -2.604 -10.982 98 HH12 ARG 15 2HH1 ARG 15 -3.976 -2.966 -12.371 99 HH21 ARG 15 1HH2 ARG 15 -5.616 -5.669 -10.877 100 HH22 ARG 15 2HH2 ARG 15 -5.462 -4.709 -12.310 101 H ASN 16 H ASN 16 -2.394 0.982 -5.667 102 HA ASN 16 HA ASN 16 0.281 1.999 -6.181 103 HB2 ASN 16 1HB ASN 16 -2.079 3.730 -5.509 104 HB3 ASN 16 2HB ASN 16 -0.464 4.188 -4.975 105 HD21 ASN 16 1HD2 ASN 16 1.195 4.364 -6.646 106 HD22 ASN 16 2HD2 ASN 16 0.735 4.920 -8.216 107 H ALA 17 H ALA 17 1.185 2.979 -4.068 108 HA ALA 17 HA ALA 17 1.567 1.159 -2.154 109 HB1 ALA 17 1HB ALA 17 2.644 3.379 -2.212 110 HB2 ALA 17 2HB ALA 17 1.178 4.083 -1.529 111 HB3 ALA 17 3HB ALA 17 2.115 2.918 -0.593 112 H TYR 18 H TYR 18 -1.210 3.352 -2.255 113 HA TYR 18 HA TYR 18 -2.353 2.622 0.200 114 HB2 TYR 18 1HB TYR 18 -2.989 4.602 -1.224 115 HB3 TYR 18 2HB TYR 18 -3.865 3.488 -2.269 116 HD1 TYR 18 2HD TYR 18 -3.638 4.485 1.324 117 HD2 TYR 18 1HD TYR 18 -6.110 3.107 -1.853 118 HE1 TYR 18 2HE TYR 18 -5.611 4.678 2.782 119 HE2 TYR 18 1HE TYR 18 -8.088 3.299 -0.407 120 HH TYR 18 HH TYR 18 -8.866 3.928 1.576 121 H TYR 19 H TYR 19 -3.052 1.444 -3.087 122 HA TYR 19 HA TYR 19 -5.021 -0.395 -2.482 123 HB2 TYR 19 1HB TYR 19 -4.402 0.192 -4.777 124 HB3 TYR 19 2HB TYR 19 -2.856 -0.629 -4.583 125 HD1 TYR 19 1HD TYR 19 -2.725 -3.056 -4.588 126 HD2 TYR 19 2HD TYR 19 -6.458 -1.071 -5.059 127 HE1 TYR 19 1HE TYR 19 -3.736 -5.156 -5.371 128 HE2 TYR 19 2HE TYR 19 -7.481 -3.166 -5.842 129 HH TYR 19 HH TYR 19 -5.635 -5.905 -6.692 130 H PHE 20 H PHE 20 -1.504 -0.860 -2.484 131 HA PHE 20 HA PHE 20 -1.504 -3.591 -1.850 132 HB2 PHE 20 1HB PHE 20 0.477 -1.374 -1.668 133 HB3 PHE 20 2HB PHE 20 0.820 -2.849 -0.771 134 HD1 PHE 20 2HD PHE 20 -0.355 -1.852 -4.172 135 HD2 PHE 20 1HD PHE 20 2.091 -4.430 -1.829 136 HE1 PHE 20 2HE PHE 20 0.508 -2.893 -6.226 137 HE2 PHE 20 1HE PHE 20 2.959 -5.476 -3.880 138 HZ PHE 20 HZ PHE 20 2.167 -4.709 -6.083 139 H PHE 21 H PHE 21 -1.599 -0.717 0.189 140 HA PHE 21 HA PHE 21 -1.294 -2.106 2.653 141 HB2 PHE 21 1HB PHE 21 -0.758 0.233 2.585 142 HB3 PHE 21 2HB PHE 21 -2.367 0.641 1.996 143 HD1 PHE 21 1HD PHE 21 -0.617 -0.859 4.913 144 HD2 PHE 21 2HD PHE 21 -4.021 1.261 3.490 145 HE1 PHE 21 1HE PHE 21 -1.372 -0.523 7.231 146 HE2 PHE 21 2HE PHE 21 -4.782 1.601 5.805 147 HZ PHE 21 HZ PHE 21 -3.457 0.709 7.679 148 H VAL 22 H VAL 22 -4.086 -0.963 0.809 149 HA VAL 22 HA VAL 22 -6.031 -1.705 2.743 150 HB VAL 22 HB VAL 22 -6.238 -1.145 -0.211 151 HG11 VAL 22 1HG1 VAL 22 -8.189 -2.353 1.601 152 HG12 VAL 22 2HG1 VAL 22 -8.786 -0.927 0.750 153 HG13 VAL 22 3HG1 VAL 22 -8.157 -2.299 -0.162 154 HG21 VAL 22 1HG2 VAL 22 -7.233 0.929 0.474 155 HG22 VAL 22 2HG2 VAL 22 -7.240 0.422 2.162 156 HG23 VAL 22 3HG2 VAL 22 -5.710 0.732 1.340 157 H GLN 23 H GLN 23 -4.586 -3.342 -0.021 158 HA GLN 23 HA GLN 23 -6.331 -5.543 -0.125 159 HB2 GLN 23 1HB GLN 23 -4.522 -4.795 -1.807 160 HB3 GLN 23 2HB GLN 23 -3.408 -5.719 -0.807 161 HG2 GLN 23 1HG GLN 23 -5.144 -7.631 -1.125 162 HG3 GLN 23 2HG GLN 23 -5.661 -6.671 -2.510 163 HE21 GLN 23 1HE2 GLN 23 -4.983 -8.585 -3.707 164 HE22 GLN 23 2HE2 GLN 23 -3.322 -8.747 -4.151 165 H GLU 24 H GLU 24 -3.471 -4.891 1.809 166 HA GLU 24 HA GLU 24 -3.399 -7.563 2.909 167 HB2 GLU 24 1HB GLU 24 -1.787 -5.074 3.230 168 HB3 GLU 24 2HB GLU 24 -1.727 -6.271 4.516 169 HG2 GLU 24 1HG GLU 24 -1.154 -6.874 1.626 170 HG3 GLU 24 2HG GLU 24 0.079 -6.476 2.820 171 H LYS 25 H LYS 25 -5.451 -5.090 3.355 172 HA LYS 25 HA LYS 25 -5.773 -5.602 6.238 173 HB2 LYS 25 1HB LYS 25 -6.432 -3.213 4.535 174 HB3 LYS 25 2HB LYS 25 -7.218 -3.462 6.087 175 HG2 LYS 25 1HG LYS 25 -4.232 -3.456 5.827 176 HG3 LYS 25 2HG LYS 25 -5.154 -1.962 6.016 177 HD2 LYS 25 1HD LYS 25 -6.231 -3.278 8.028 178 HD3 LYS 25 2HD LYS 25 -4.725 -4.195 7.945 179 HE2 LYS 25 1HE LYS 25 -4.083 -2.547 9.385 180 HE3 LYS 25 2HE LYS 25 -3.678 -1.768 7.858 181 HZ1 LYS 25 1HZ LYS 25 -4.949 -0.107 8.578 182 HZ2 LYS 25 2HZ LYS 25 -5.638 -1.033 9.813 183 HZ3 LYS 25 3HZ LYS 25 -6.281 -1.097 8.250 184 H ILE 26 H ILE 26 -7.136 -6.071 3.161 185 HA ILE 26 HA ILE 26 -9.860 -6.049 3.572 186 HB ILE 26 HB ILE 26 -8.063 -7.600 1.792 187 HG12 ILE 26 1HG1 ILE 26 -10.631 -6.203 1.088 188 HG13 ILE 26 2HG1 ILE 26 -9.164 -5.283 1.407 189 HG21 ILE 26 1HG2 ILE 26 -10.285 -8.670 0.895 190 HG22 ILE 26 2HG2 ILE 26 -9.372 -9.440 2.192 191 HG23 ILE 26 3HG2 ILE 26 -10.801 -8.478 2.570 192 HD11 ILE 26 1HD1 ILE 26 -8.692 -7.447 -0.449 193 HD12 ILE 26 2HD1 ILE 26 -9.952 -6.349 -1.012 194 HD13 ILE 26 3HD1 ILE 26 -8.354 -5.723 -0.607 195 HA PRO 27 HA PRO 27 -9.673 -10.606 5.173 196 HB2 PRO 27 1HB PRO 27 -7.225 -11.606 5.788 197 HB3 PRO 27 2HB PRO 27 -7.944 -11.748 4.180 198 HG2 PRO 27 1HG PRO 27 -5.907 -9.795 5.179 199 HG3 PRO 27 2HG PRO 27 -5.952 -10.677 3.641 200 HD2 PRO 27 1HD PRO 27 -6.717 -8.088 3.860 201 HD3 PRO 27 2HD PRO 27 -7.459 -9.209 2.699 202 H GLU 28 H GLU 28 -7.500 -8.174 6.412 203 HA GLU 28 HA GLU 28 -7.397 -9.121 9.092 204 HB2 GLU 28 1HB GLU 28 -5.740 -7.550 8.111 205 HB3 GLU 28 2HB GLU 28 -6.982 -6.307 8.067 206 HG2 GLU 28 1HG GLU 28 -5.517 -6.015 9.976 207 HG3 GLU 28 2HG GLU 28 -7.162 -6.380 10.492 208 H LEU 29 H LEU 29 -9.499 -6.894 7.355 209 HA LEU 29 HA LEU 29 -10.924 -6.057 9.700 210 HB2 LEU 29 1HB LEU 29 -11.592 -5.792 6.772 211 HB3 LEU 29 2HB LEU 29 -12.483 -5.022 8.083 212 HG LEU 29 HG LEU 29 -9.561 -4.478 7.733 213 HD11 LEU 29 1HD1 LEU 29 -11.390 -4.039 5.691 214 HD12 LEU 29 2HD1 LEU 29 -9.808 -3.282 5.879 215 HD13 LEU 29 3HD1 LEU 29 -11.249 -2.481 6.506 216 HD21 LEU 29 1HD2 LEU 29 -11.007 -3.764 9.733 217 HD22 LEU 29 2HD2 LEU 29 -11.729 -2.605 8.617 218 HD23 LEU 29 3HD2 LEU 29 -9.999 -2.543 8.955 219 H ARG 30 H ARG 30 -11.483 -8.371 7.086 220 HA ARG 30 HA ARG 30 -14.079 -9.105 7.494 221 HB2 ARG 30 1HB ARG 30 -11.661 -10.733 6.763 222 HB3 ARG 30 2HB ARG 30 -13.247 -11.481 6.896 223 HG2 ARG 30 1HG ARG 30 -14.071 -9.782 5.238 224 HG3 ARG 30 2HG ARG 30 -12.385 -9.316 4.999 225 HD2 ARG 30 1HD ARG 30 -12.645 -10.858 3.319 226 HD3 ARG 30 2HD ARG 30 -12.053 -11.888 4.621 227 HE ARG 30 HE ARG 30 -14.711 -12.060 4.934 228 HH11 ARG 30 1HH1 ARG 30 -12.669 -12.384 2.133 229 HH12 ARG 30 2HH1 ARG 30 -13.719 -13.508 1.336 230 HH21 ARG 30 1HH2 ARG 30 -16.102 -13.539 3.894 231 HH22 ARG 30 2HH2 ARG 30 -15.672 -14.164 2.338 232 H ARG 31 H ARG 31 -11.257 -10.175 9.347 233 HA ARG 31 HA ARG 31 -12.742 -11.939 11.030 234 HB2 ARG 31 1HB ARG 31 -9.999 -10.717 11.378 235 HB3 ARG 31 2HB ARG 31 -10.668 -11.985 12.398 236 HG2 ARG 31 1HG ARG 31 -10.804 -13.467 10.451 237 HG3 ARG 31 2HG ARG 31 -10.104 -12.197 9.447 238 HD2 ARG 31 1HD ARG 31 -8.373 -13.746 10.070 239 HD3 ARG 31 2HD ARG 31 -8.100 -12.215 10.901 240 HE ARG 31 HE ARG 31 -8.799 -14.754 12.101 241 HH11 ARG 31 1HH1 ARG 31 -8.578 -11.303 12.495 242 HH12 ARG 31 2HH1 ARG 31 -8.519 -11.373 14.226 243 HH21 ARG 31 1HH2 ARG 31 -8.723 -14.860 14.378 244 HH22 ARG 31 2HH2 ARG 31 -8.601 -13.397 15.295 245 H ARG 32 H ARG 32 -11.757 -8.576 11.201 246 HA ARG 32 HA ARG 32 -12.226 -8.077 13.902 247 HB2 ARG 32 1HB ARG 32 -12.419 -6.330 11.458 248 HB3 ARG 32 2HB ARG 32 -12.739 -5.702 13.069 249 HG2 ARG 32 1HG ARG 32 -10.428 -6.638 13.674 250 HG3 ARG 32 2HG ARG 32 -10.171 -6.731 11.930 251 HD2 ARG 32 1HD ARG 32 -10.253 -4.436 11.664 252 HD3 ARG 32 2HD ARG 32 -11.170 -4.195 13.150 253 HE ARG 32 HE ARG 32 -8.328 -4.266 12.879 254 HH11 ARG 32 1HH1 ARG 32 -10.966 -4.938 15.046 255 HH12 ARG 32 2HH1 ARG 32 -10.013 -4.737 16.479 256 HH21 ARG 32 1HH2 ARG 32 -7.061 -4.000 14.757 257 HH22 ARG 32 2HH2 ARG 32 -7.791 -4.203 16.313 258 H GLY 33 H GLY 33 -14.453 -7.964 11.142 259 HA2 GLY 33 1HA GLY 33 -16.725 -8.860 11.687 260 HA3 GLY 33 2HA GLY 33 -16.681 -7.785 13.077 261 H LEU 34 H LEU 34 -15.684 -7.165 9.731 262 HA LEU 34 HA LEU 34 -17.830 -5.158 9.547 263 HB2 LEU 34 1HB LEU 34 -14.962 -4.894 8.666 264 HB3 LEU 34 2HB LEU 34 -16.240 -3.768 8.214 265 HG LEU 34 HG LEU 34 -15.478 -4.301 11.077 266 HD11 LEU 34 1HD1 LEU 34 -13.487 -3.470 10.124 267 HD12 LEU 34 2HD1 LEU 34 -14.277 -2.086 10.877 268 HD13 LEU 34 3HD1 LEU 34 -14.359 -2.304 9.129 269 HD21 LEU 34 1HD2 LEU 34 -16.853 -1.935 9.820 270 HD22 LEU 34 2HD2 LEU 34 -16.663 -2.285 11.538 271 HD23 LEU 34 3HD2 LEU 34 -17.709 -3.298 10.541 272 HA PRO 35 HA PRO 35 -18.900 -7.134 5.763 273 HB2 PRO 35 1HB PRO 35 -20.218 -5.087 4.562 274 HB3 PRO 35 2HB PRO 35 -20.896 -6.006 5.912 275 HG2 PRO 35 1HG PRO 35 -19.536 -3.339 5.928 276 HG3 PRO 35 2HG PRO 35 -20.996 -3.856 6.793 277 HD2 PRO 35 1HD PRO 35 -18.570 -3.708 7.987 278 HD3 PRO 35 2HD PRO 35 -19.791 -4.909 8.452 279 H VAL 36 H VAL 36 -16.656 -7.281 5.047 280 HA VAL 36 HA VAL 36 -16.079 -5.365 2.884 281 HB VAL 36 HB VAL 36 -13.623 -5.905 3.335 282 HG11 VAL 36 1HG1 VAL 36 -15.341 -4.230 5.135 283 HG12 VAL 36 2HG1 VAL 36 -13.585 -4.264 5.310 284 HG13 VAL 36 3HG1 VAL 36 -14.311 -3.722 3.796 285 HG21 VAL 36 1HG2 VAL 36 -14.021 -7.821 4.815 286 HG22 VAL 36 2HG2 VAL 36 -13.051 -6.577 5.604 287 HG23 VAL 36 3HG2 VAL 36 -14.761 -6.745 6.001 288 H ALA 37 H ALA 37 -15.780 -6.248 0.940 289 HA ALA 37 HA ALA 37 -15.343 -9.160 0.794 290 HB1 ALA 37 1HB ALA 37 -17.475 -8.832 -0.077 291 HB2 ALA 37 2HB ALA 37 -17.019 -7.334 -0.889 292 HB3 ALA 37 3HB ALA 37 -16.451 -8.884 -1.511 293 H ARG 38 H ARG 38 -14.442 -6.014 -0.448 294 HA ARG 38 HA ARG 38 -11.972 -7.135 -1.481 295 HB2 ARG 38 1HB ARG 38 -12.229 -6.013 -3.677 296 HB3 ARG 38 2HB ARG 38 -13.392 -7.308 -3.428 297 HG2 ARG 38 1HG ARG 38 -14.958 -5.407 -2.620 298 HG3 ARG 38 2HG ARG 38 -13.834 -4.357 -3.487 299 HD2 ARG 38 1HD ARG 38 -14.899 -6.782 -4.854 300 HD3 ARG 38 2HD ARG 38 -15.942 -5.371 -4.686 301 HE ARG 38 HE ARG 38 -13.597 -5.621 -6.362 302 HH11 ARG 38 1HH1 ARG 38 -15.891 -3.478 -4.856 303 HH12 ARG 38 2HH1 ARG 38 -15.596 -2.176 -5.960 304 HH21 ARG 38 1HH2 ARG 38 -13.201 -3.913 -7.822 305 HH22 ARG 38 2HH2 ARG 38 -14.067 -2.425 -7.647 306 H VAL 39 H VAL 39 -10.739 -5.133 -2.604 307 HA VAL 39 HA VAL 39 -9.974 -3.419 -0.588 308 HB VAL 39 HB VAL 39 -9.824 -3.001 -3.573 309 HG11 VAL 39 1HG1 VAL 39 -9.267 -1.162 -1.435 310 HG12 VAL 39 2HG1 VAL 39 -7.787 -1.553 -2.313 311 HG13 VAL 39 3HG1 VAL 39 -9.183 -0.911 -3.179 312 HG21 VAL 39 1HG2 VAL 39 -8.618 -4.953 -2.720 313 HG22 VAL 39 2HG2 VAL 39 -7.507 -3.715 -3.307 314 HG23 VAL 39 3HG2 VAL 39 -7.761 -3.924 -1.574 315 H ALA 40 H ALA 40 -12.123 -2.621 -3.322 316 HA ALA 40 HA ALA 40 -12.763 -0.041 -2.788 317 HB1 ALA 40 1HB ALA 40 -13.642 -1.497 -4.653 318 HB2 ALA 40 2HB ALA 40 -14.873 -2.056 -3.520 319 HB3 ALA 40 3HB ALA 40 -14.792 -0.350 -3.964 320 H ASP 41 H ASP 41 -13.730 -2.844 -0.957 321 HA ASP 41 HA ASP 41 -15.662 -1.360 0.620 322 HB2 ASP 41 1HB ASP 41 -14.714 -4.213 0.591 323 HB3 ASP 41 2HB ASP 41 -15.668 -3.595 1.937 324 H ALA 42 H ALA 42 -12.433 -2.740 0.995 325 HA ALA 42 HA ALA 42 -12.237 -1.855 3.746 326 HB1 ALA 42 1HB ALA 42 -9.932 -2.772 3.605 327 HB2 ALA 42 2HB ALA 42 -11.186 -3.941 3.190 328 HB3 ALA 42 3HB ALA 42 -10.238 -3.174 1.916 329 H ILE 43 H ILE 43 -12.156 -0.238 0.946 330 HA ILE 43 HA ILE 43 -9.787 1.272 1.028 331 HB ILE 43 HB ILE 43 -12.430 1.573 -0.276 332 HG12 ILE 43 1HG1 ILE 43 -9.552 1.792 -1.179 333 HG13 ILE 43 2HG1 ILE 43 -10.633 0.424 -1.426 334 HG21 ILE 43 1HG2 ILE 43 -10.543 3.882 0.149 335 HG22 ILE 43 2HG2 ILE 43 -11.801 3.852 -1.087 336 HG23 ILE 43 3HG2 ILE 43 -12.239 3.778 0.620 337 HD11 ILE 43 1HD1 ILE 43 -12.037 2.432 -2.590 338 HD12 ILE 43 2HD1 ILE 43 -10.375 2.917 -2.927 339 HD13 ILE 43 3HD1 ILE 43 -10.951 1.330 -3.439 340 HA PRO 44 HA PRO 44 -12.297 4.608 3.461 341 HB2 PRO 44 1HB PRO 44 -14.725 3.879 4.432 342 HB3 PRO 44 2HB PRO 44 -14.506 4.587 2.827 343 HG2 PRO 44 1HG PRO 44 -14.836 1.714 3.599 344 HG3 PRO 44 2HG PRO 44 -15.569 2.601 2.251 345 HD2 PRO 44 1HD PRO 44 -13.426 0.978 1.932 346 HD3 PRO 44 2HD PRO 44 -13.677 2.431 0.945 347 H TYR 45 H TYR 45 -13.069 1.317 4.579 348 HA TYR 45 HA TYR 45 -12.899 1.850 7.330 349 HB2 TYR 45 1HB TYR 45 -12.323 -0.759 5.910 350 HB3 TYR 45 2HB TYR 45 -12.719 -0.568 7.614 351 HD1 TYR 45 2HD TYR 45 -14.983 1.154 7.714 352 HD2 TYR 45 1HD TYR 45 -14.052 -1.806 4.804 353 HE1 TYR 45 2HE TYR 45 -17.374 0.928 7.188 354 HE2 TYR 45 1HE TYR 45 -16.441 -2.040 4.269 355 HH TYR 45 HH TYR 45 -18.752 -1.451 5.873 356 H CYS 46 H CYS 46 -10.499 1.931 5.014 357 HA CYS 46 HA CYS 46 -8.402 1.451 7.030 358 HB2 CYS 46 1HB CYS 46 -8.336 1.074 4.033 359 HB3 CYS 46 2HB CYS 46 -6.893 1.057 5.040 360 HG CYS 46 HG CYS 46 -8.794 -1.027 6.513 361 H SER 47 H SER 47 -9.680 3.603 4.610 362 HA SER 47 HA SER 47 -7.742 5.374 4.039 363 HB2 SER 47 1HB SER 47 -9.392 7.045 3.762 364 HB3 SER 47 2HB SER 47 -10.251 5.525 3.518 365 HG SER 47 HG SER 47 -11.246 5.757 5.421 366 H SER 48 H SER 48 -9.196 4.901 7.178 367 HA SER 48 HA SER 48 -8.062 7.248 8.365 368 HB2 SER 48 1HB SER 48 -8.772 6.158 10.517 369 HB3 SER 48 2HB SER 48 -10.070 6.349 9.340 370 HG SER 48 HG SER 48 -9.681 4.199 10.488 371 H ASP 49 H ASP 49 -7.355 3.768 8.648 372 HA ASP 49 HA ASP 49 -5.102 4.001 10.282 373 HB2 ASP 49 1HB ASP 49 -5.993 1.910 8.311 374 HB3 ASP 49 2HB ASP 49 -4.466 1.751 9.175 375 H TRP 50 H TRP 50 -5.368 3.951 6.748 376 HA TRP 50 HA TRP 50 -2.655 3.956 6.125 377 HB2 TRP 50 1HB TRP 50 -4.322 3.594 4.411 378 HB3 TRP 50 2HB TRP 50 -4.980 5.210 4.654 379 HD1 TRP 50 HD TRP 50 -4.005 7.087 3.179 380 HE1 TRP 50 1HE TRP 50 -2.051 7.267 1.513 381 HE3 TRP 50 3HE TRP 50 -1.793 2.558 4.034 382 HZ2 TRP 50 2HZ TRP 50 0.140 5.697 0.674 383 HZ3 TRP 50 3HZ TRP 50 0.229 1.974 2.758 384 HH2 TRP 50 HH TRP 50 1.173 3.512 1.113 385 H ALA 51 H ALA 51 -4.794 6.599 7.020 386 HA ALA 51 HA ALA 51 -2.988 8.700 6.393 387 HB1 ALA 51 1HB ALA 51 -4.649 9.653 8.403 388 HB2 ALA 51 2HB ALA 51 -4.914 9.780 6.664 389 HB3 ALA 51 3HB ALA 51 -5.618 8.439 7.568 390 H LEU 52 H LEU 52 -2.999 6.385 8.849 391 HA LEU 52 HA LEU 52 -1.638 8.046 10.807 392 HB2 LEU 52 1HB LEU 52 -2.352 5.118 10.791 393 HB3 LEU 52 2HB LEU 52 -1.541 5.937 12.126 394 HG LEU 52 HG LEU 52 -4.305 6.610 11.121 395 HD11 LEU 52 1HD1 LEU 52 -3.720 4.326 12.377 396 HD12 LEU 52 2HD1 LEU 52 -5.219 5.214 12.649 397 HD13 LEU 52 3HD1 LEU 52 -3.875 5.387 13.777 398 HD21 LEU 52 1HD2 LEU 52 -4.159 8.425 12.386 399 HD22 LEU 52 2HD2 LEU 52 -2.477 8.031 12.750 400 HD23 LEU 52 3HD2 LEU 52 -3.771 7.433 13.792 401 H LEU 53 H LEU 53 -0.869 5.886 8.242 402 HA LEU 53 HA LEU 53 1.629 4.932 9.046 403 HB2 LEU 53 1HB LEU 53 0.290 5.395 6.433 404 HB3 LEU 53 2HB LEU 53 2.024 5.081 6.432 405 HG LEU 53 HG LEU 53 0.141 3.214 7.828 406 HD11 LEU 53 1HD1 LEU 53 0.846 3.153 4.898 407 HD12 LEU 53 2HD1 LEU 53 -0.748 3.493 5.573 408 HD13 LEU 53 3HD1 LEU 53 -0.023 1.899 5.783 409 HD21 LEU 53 1HD2 LEU 53 2.907 3.351 7.511 410 HD22 LEU 53 2HD2 LEU 53 2.379 2.088 6.398 411 HD23 LEU 53 3HD2 LEU 53 1.970 1.983 8.112 412 H ARG 54 H ARG 54 3.762 5.594 8.301 413 HA ARG 54 HA ARG 54 4.041 8.506 8.411 414 HB2 ARG 54 1HB ARG 54 6.310 6.542 8.567 415 HB3 ARG 54 2HB ARG 54 6.225 8.178 9.207 416 HG2 ARG 54 1HG ARG 54 4.330 6.158 10.276 417 HG3 ARG 54 2HG ARG 54 6.023 6.064 10.765 418 HD2 ARG 54 1HD ARG 54 5.125 7.427 12.399 419 HD3 ARG 54 2HD ARG 54 5.753 8.602 11.244 420 HE ARG 54 HE ARG 54 3.013 7.913 10.769 421 HH11 ARG 54 1HH1 ARG 54 5.154 9.940 12.620 422 HH12 ARG 54 2HH1 ARG 54 3.964 11.168 12.898 423 HH21 ARG 54 1HH2 ARG 54 1.437 9.523 11.127 424 HH22 ARG 54 2HH2 ARG 54 1.850 10.930 12.048 425 H GLU 55 H GLU 55 5.759 9.506 7.073 426 HA GLU 55 HA GLU 55 5.316 9.210 4.374 427 HB2 GLU 55 1HB GLU 55 7.528 10.425 5.970 428 HB3 GLU 55 2HB GLU 55 7.734 10.270 4.231 429 HG2 GLU 55 1HG GLU 55 5.841 11.636 3.801 430 HG3 GLU 55 2HG GLU 55 5.361 11.611 5.497 431 H GLU 56 H GLU 56 8.029 7.880 6.254 432 HA GLU 56 HA GLU 56 9.384 6.611 4.194 433 HB2 GLU 56 1HB GLU 56 10.050 6.877 6.660 434 HB3 GLU 56 2HB GLU 56 9.119 5.414 6.944 435 HG2 GLU 56 1HG GLU 56 10.596 4.084 5.787 436 HG3 GLU 56 2HG GLU 56 11.221 5.427 4.831 437 H GLU 57 H GLU 57 6.718 5.397 6.192 438 HA GLU 57 HA GLU 57 6.635 2.793 5.167 439 HB2 GLU 57 1HB GLU 57 4.292 4.428 6.153 440 HB3 GLU 57 2HB GLU 57 4.384 2.674 6.064 441 HG2 GLU 57 1HG GLU 57 6.310 4.253 7.725 442 HG3 GLU 57 2HG GLU 57 4.722 3.793 8.336 443 H LYS 58 H LYS 58 4.612 5.592 4.275 444 HA LYS 58 HA LYS 58 3.206 4.448 2.195 445 HB2 LYS 58 1HB LYS 58 4.214 7.297 2.261 446 HB3 LYS 58 2HB LYS 58 2.820 6.695 1.373 447 HG2 LYS 58 1HG LYS 58 1.883 6.026 3.654 448 HG3 LYS 58 2HG LYS 58 3.141 7.065 4.330 449 HD2 LYS 58 1HD LYS 58 2.181 8.983 3.524 450 HD3 LYS 58 2HD LYS 58 1.419 8.158 2.162 451 HE2 LYS 58 1HE LYS 58 -0.118 7.059 3.809 452 HE3 LYS 58 2HE LYS 58 0.562 8.109 5.050 453 HZ1 LYS 58 1HZ LYS 58 -1.148 8.808 2.765 454 HZ2 LYS 58 2HZ LYS 58 -0.085 9.968 3.385 455 HZ3 LYS 58 3HZ LYS 58 -1.270 9.289 4.382 456 H GLU 59 H GLU 59 6.427 5.898 2.153 457 HA GLU 59 HA GLU 59 6.806 5.789 -0.645 458 HB2 GLU 59 1HB GLU 59 8.162 7.027 1.215 459 HB3 GLU 59 2HB GLU 59 9.082 5.531 1.287 460 HG2 GLU 59 1HG GLU 59 10.075 7.270 -0.174 461 HG3 GLU 59 2HG GLU 59 9.748 5.743 -0.991 462 H LYS 60 H LYS 60 7.385 3.482 1.944 463 HA LYS 60 HA LYS 60 8.870 1.615 0.421 464 HB2 LYS 60 1HB LYS 60 9.103 1.250 2.686 465 HB3 LYS 60 2HB LYS 60 7.405 1.561 3.020 466 HG2 LYS 60 1HG LYS 60 6.861 -0.613 1.940 467 HG3 LYS 60 2HG LYS 60 8.593 -0.924 1.807 468 HD2 LYS 60 1HD LYS 60 8.543 -0.379 4.386 469 HD3 LYS 60 2HD LYS 60 6.849 -0.851 4.222 470 HE2 LYS 60 1HE LYS 60 7.848 -2.863 4.740 471 HE3 LYS 60 2HE LYS 60 7.832 -2.917 2.979 472 HZ1 LYS 60 1HZ LYS 60 10.189 -1.652 3.874 473 HZ2 LYS 60 2HZ LYS 60 10.027 -3.070 2.965 474 HZ3 LYS 60 3HZ LYS 60 10.029 -3.144 4.655 475 H TYR 61 H TYR 61 5.418 1.923 1.148 476 HA TYR 61 HA TYR 61 4.637 -0.468 -0.161 477 HB2 TYR 61 1HB TYR 61 3.243 1.933 0.913 478 HB3 TYR 61 2HB TYR 61 2.366 0.928 -0.237 479 HD1 TYR 61 2HD TYR 61 1.979 -1.488 0.301 480 HD2 TYR 61 1HD TYR 61 3.553 1.243 3.159 481 HE1 TYR 61 2HE TYR 61 1.387 -3.048 2.108 482 HE2 TYR 61 1HE TYR 61 2.968 -0.310 4.974 483 HH TYR 61 HH TYR 61 0.957 -3.039 4.481 484 H ALA 62 H ALA 62 5.124 2.830 -1.224 485 HA ALA 62 HA ALA 62 3.838 2.551 -3.750 486 HB1 ALA 62 1HB ALA 62 5.289 4.605 -2.319 487 HB2 ALA 62 2HB ALA 62 5.714 4.573 -4.031 488 HB3 ALA 62 3HB ALA 62 4.028 4.758 -3.545 489 H GLU 63 H GLU 63 7.251 2.482 -2.740 490 HA GLU 63 HA GLU 63 8.329 2.006 -5.291 491 HB2 GLU 63 1HB GLU 63 10.340 1.229 -4.072 492 HB3 GLU 63 2HB GLU 63 9.732 2.766 -3.473 493 HG2 GLU 63 1HG GLU 63 8.584 1.505 -1.648 494 HG3 GLU 63 2HG GLU 63 9.427 0.060 -2.199 495 H MET 64 H MET 64 7.501 -0.252 -2.668 496 HA MET 64 HA MET 64 8.272 -2.603 -3.976 497 HB2 MET 64 1HB MET 64 7.132 -3.770 -2.285 498 HB3 MET 64 2HB MET 64 7.633 -2.269 -1.519 499 HG2 MET 64 1HG MET 64 5.384 -1.355 -1.873 500 HG3 MET 64 2HG MET 64 4.891 -2.885 -2.593 501 HE1 MET 64 1HE MET 64 6.188 -5.188 -0.023 502 HE2 MET 64 2HE MET 64 4.431 -5.329 -0.102 503 HE3 MET 64 3HE MET 64 5.358 -5.017 -1.570 504 H ALA 65 H ALA 65 5.136 -0.945 -3.871 505 HA ALA 65 HA ALA 65 3.666 -2.816 -5.343 506 HB1 ALA 65 1HB ALA 65 2.444 -1.174 -4.190 507 HB2 ALA 65 2HB ALA 65 3.341 0.143 -4.946 508 HB3 ALA 65 3HB ALA 65 2.203 -0.809 -5.899 509 H ARG 66 H ARG 66 5.362 0.114 -6.447 510 HA ARG 66 HA ARG 66 4.752 -0.090 -9.156 511 HB2 ARG 66 1HB ARG 66 7.202 1.045 -7.802 512 HB3 ARG 66 2HB ARG 66 6.836 1.257 -9.508 513 HG2 ARG 66 1HG ARG 66 5.109 2.704 -9.104 514 HG3 ARG 66 2HG ARG 66 4.786 2.041 -7.501 515 HD2 ARG 66 1HD ARG 66 5.736 4.212 -7.213 516 HD3 ARG 66 2HD ARG 66 6.952 3.025 -6.742 517 HE ARG 66 HE ARG 66 8.287 3.831 -8.401 518 HH11 ARG 66 1HH1 ARG 66 4.990 4.684 -9.125 519 HH12 ARG 66 2HH1 ARG 66 5.403 5.630 -10.517 520 HH21 ARG 66 1HH2 ARG 66 8.844 5.074 -10.232 521 HH22 ARG 66 2HH2 ARG 66 7.594 5.850 -11.146 522 H GLU 67 H GLU 67 7.570 -1.354 -7.389 523 HA GLU 67 HA GLU 67 8.895 -2.505 -9.555 524 HB2 GLU 67 1HB GLU 67 8.827 -3.261 -6.636 525 HB3 GLU 67 2HB GLU 67 9.875 -4.059 -7.800 526 HG2 GLU 67 1HG GLU 67 9.908 -1.146 -7.051 527 HG3 GLU 67 2HG GLU 67 11.104 -2.366 -6.613 528 H TRP 68 H TRP 68 6.307 -3.766 -7.522 529 HA TRP 68 HA TRP 68 6.346 -6.413 -8.496 530 HB2 TRP 68 1HB TRP 68 5.183 -5.991 -6.459 531 HB3 TRP 68 2HB TRP 68 4.178 -4.755 -7.209 532 HD1 TRP 68 HD TRP 68 4.664 -8.589 -7.254 533 HE1 TRP 68 1HE TRP 68 2.423 -9.670 -7.917 534 HE3 TRP 68 3HE TRP 68 1.986 -4.353 -8.265 535 HZ2 TRP 68 2HZ TRP 68 -0.139 -8.837 -8.756 536 HZ3 TRP 68 3HZ TRP 68 -0.353 -4.582 -8.993 537 HH2 TRP 68 HH TRP 68 -1.392 -6.778 -9.234 538 H ARG 69 H ARG 69 4.434 -3.575 -9.454 539 HA ARG 69 HA ARG 69 2.924 -4.860 -11.449 540 HB2 ARG 69 1HB ARG 69 3.645 -2.004 -10.887 541 HB3 ARG 69 2HB ARG 69 2.804 -2.422 -12.375 542 HG2 ARG 69 1HG ARG 69 1.077 -3.563 -10.921 543 HG3 ARG 69 2HG ARG 69 1.858 -2.776 -9.548 544 HD2 ARG 69 1HD ARG 69 1.070 -1.133 -11.907 545 HD3 ARG 69 2HD ARG 69 -0.176 -1.653 -10.772 546 HE ARG 69 HE ARG 69 0.697 -0.224 -9.186 547 HH11 ARG 69 1HH1 ARG 69 2.835 -0.426 -11.927 548 HH12 ARG 69 2HH1 ARG 69 3.815 0.912 -11.426 549 HH21 ARG 69 1HH2 ARG 69 1.980 1.538 -8.516 550 HH22 ARG 69 2HH2 ARG 69 3.329 2.028 -9.485 551 H ALA 70 H ALA 70 5.966 -3.040 -11.617 552 HA ALA 70 HA ALA 70 6.308 -3.161 -14.399 553 HB1 ALA 70 1HB ALA 70 8.115 -1.950 -13.948 554 HB2 ALA 70 2HB ALA 70 7.723 -2.121 -12.236 555 HB3 ALA 70 3HB ALA 70 8.829 -3.259 -13.004 556 H ALA 71 H ALA 71 7.432 -5.331 -11.827 557 HA ALA 71 HA ALA 71 8.838 -7.094 -13.548 558 HB1 ALA 71 1HB ALA 71 8.473 -8.683 -11.502 559 HB2 ALA 71 2HB ALA 71 9.541 -7.285 -11.369 560 HB3 ALA 71 3HB ALA 71 7.904 -7.208 -10.719 561 H GLN 72 H GLN 72 5.516 -6.904 -12.463 562 HA GLN 72 HA GLN 72 4.798 -9.518 -13.410 563 HB2 GLN 72 1HB GLN 72 3.243 -7.156 -12.391 564 HB3 GLN 72 2HB GLN 72 2.425 -8.550 -13.086 565 HG2 GLN 72 1HG GLN 72 4.238 -8.542 -10.684 566 HG3 GLN 72 2HG GLN 72 2.486 -8.737 -10.687 567 HE21 GLN 72 1HE2 GLN 72 5.206 -10.379 -10.263 568 HE22 GLN 72 2HE2 GLN 72 4.744 -11.938 -10.847 569 H GLY 73 H GLY 73 4.977 -6.330 -14.755 570 HA2 GLY 73 1HA GLY 73 4.864 -7.095 -17.399 571 HA3 GLY 73 2HA GLY 73 3.198 -6.768 -16.945 572 H LYS 74 H LYS 74 6.439 -5.311 -16.846 573 HA LYS 74 HA LYS 74 5.458 -2.656 -16.522 574 HB2 LYS 74 1HB LYS 74 7.731 -3.405 -15.827 575 HB3 LYS 74 2HB LYS 74 8.164 -3.553 -17.525 576 HG2 LYS 74 1HG LYS 74 7.651 -1.121 -17.784 577 HG3 LYS 74 2HG LYS 74 7.455 -1.039 -16.033 578 HD2 LYS 74 1HD LYS 74 9.670 -0.362 -16.428 579 HD3 LYS 74 2HD LYS 74 9.797 -2.038 -15.890 580 HE2 LYS 74 1HE LYS 74 9.772 -2.650 -18.369 581 HE3 LYS 74 2HE LYS 74 10.060 -0.938 -18.674 582 HZ1 LYS 74 1HZ LYS 74 12.189 -1.662 -18.571 583 HZ2 LYS 74 2HZ LYS 74 11.842 -2.945 -17.527 584 HZ3 LYS 74 3HZ LYS 74 11.962 -1.370 -16.920 585 H ASP 75 H ASP 75 5.427 -0.960 -18.034 586 HA ASP 75 HA ASP 75 5.161 -1.864 -20.822 587 HB2 ASP 75 1HB ASP 75 3.716 0.159 -19.181 588 HB3 ASP 75 2HB ASP 75 3.929 0.503 -20.896 589 HA PRO 76 HA PRO 76 8.647 0.568 -21.961 590 HB2 PRO 76 1HB PRO 76 8.074 0.940 -24.589 591 HB3 PRO 76 2HB PRO 76 8.630 -0.606 -23.937 592 HG2 PRO 76 1HG PRO 76 5.848 0.284 -24.594 593 HG3 PRO 76 2HG PRO 76 6.631 -1.275 -24.918 594 HD2 PRO 76 1HD PRO 76 4.925 -0.903 -22.847 595 HD3 PRO 76 2HD PRO 76 6.291 -2.034 -22.769 596 H GLY 77 H GLY 77 5.400 1.712 -22.261 597 HA2 GLY 77 1HA GLY 77 5.640 4.223 -21.400 598 HA3 GLY 77 2HA GLY 77 6.214 4.394 -23.052 599 HA PRO 78 HA PRO 78 1.415 4.249 -22.607 600 HB2 PRO 78 1HB PRO 78 0.836 6.857 -22.120 601 HB3 PRO 78 2HB PRO 78 1.068 5.667 -20.833 602 HG2 PRO 78 1HG PRO 78 2.990 7.695 -21.909 603 HG3 PRO 78 2HG PRO 78 2.669 7.241 -20.225 604 HD2 PRO 78 1HD PRO 78 4.809 6.313 -21.601 605 HD3 PRO 78 2HD PRO 78 3.992 5.357 -20.349 606 H SER 79 H SER 79 1.123 3.972 -24.758 607 HA SER 79 HA SER 79 0.884 4.431 -26.976 608 HB2 SER 79 1HB SER 79 -0.638 6.197 -25.728 609 HB3 SER 79 2HB SER 79 0.535 7.342 -26.380 610 HG SER 79 HG SER 79 -1.497 6.161 -27.630 611 H GLU 80 H GLU 80 3.527 4.384 -26.089 612 HA GLU 80 HA GLU 80 4.757 6.129 -28.078 613 HB2 GLU 80 1HB GLU 80 5.576 6.014 -25.176 614 HB3 GLU 80 2HB GLU 80 6.615 6.648 -26.445 615 HG2 GLU 80 1HG GLU 80 3.857 7.730 -26.039 616 HG3 GLU 80 2HG GLU 80 5.208 8.286 -25.053 617 H LYS 81 H LYS 81 6.855 5.422 -28.766 618 HA LYS 81 HA LYS 81 7.654 2.741 -27.903 619 HB2 LYS 81 1HB LYS 81 7.840 1.945 -30.194 620 HB3 LYS 81 2HB LYS 81 6.187 2.442 -29.860 621 HG2 LYS 81 1HG LYS 81 6.695 4.617 -30.970 622 HG3 LYS 81 2HG LYS 81 8.259 3.946 -31.439 623 HD2 LYS 81 1HD LYS 81 6.916 3.567 -33.308 624 HD3 LYS 81 2HD LYS 81 6.888 2.020 -32.458 625 HE2 LYS 81 1HE LYS 81 4.656 2.563 -33.168 626 HE3 LYS 81 2HE LYS 81 4.744 2.688 -31.411 627 HZ1 LYS 81 1HZ LYS 81 5.199 5.096 -33.024 628 HZ2 LYS 81 2HZ LYS 81 4.553 4.951 -31.468 629 HZ3 LYS 81 3HZ LYS 81 3.612 4.548 -32.816 630 H GLN 82 H GLN 82 9.765 2.140 -29.196 631 HA GLN 82 HA GLN 82 11.442 4.404 -29.829 632 HB2 GLN 82 1HB GLN 82 13.158 3.810 -28.123 633 HB3 GLN 82 2HB GLN 82 11.669 4.442 -27.434 634 HG2 GLN 82 1HG GLN 82 10.987 2.314 -26.694 635 HG3 GLN 82 2HG GLN 82 12.209 1.501 -27.670 636 HE21 GLN 82 1HE2 GLN 82 12.003 0.885 -25.050 637 HE22 GLN 82 2HE2 GLN 82 13.355 1.510 -24.174 638 H LYS 83 H LYS 83 13.027 3.865 -31.225 639 HA LYS 83 HA LYS 83 13.005 1.359 -32.489 640 HB2 LYS 83 1HB LYS 83 14.885 3.700 -32.558 641 HB3 LYS 83 2HB LYS 83 15.272 2.221 -33.427 642 HG2 LYS 83 1HG LYS 83 14.233 3.467 -35.052 643 HG3 LYS 83 2HG LYS 83 12.893 2.500 -34.432 644 HD2 LYS 83 1HD LYS 83 11.968 4.298 -33.279 645 HD3 LYS 83 2HD LYS 83 13.484 5.203 -33.281 646 HE2 LYS 83 1HE LYS 83 12.131 4.558 -35.867 647 HE3 LYS 83 2HE LYS 83 11.537 5.892 -34.879 648 HZ1 LYS 83 1HZ LYS 83 13.144 7.149 -35.696 649 HZ2 LYS 83 2HZ LYS 83 13.739 5.858 -36.614 650 HZ3 LYS 83 3HZ LYS 83 14.315 6.116 -35.044 651 HA PRO 84 HA PRO 84 15.554 -1.133 -29.906 652 HB2 PRO 84 1HB PRO 84 16.395 -2.945 -31.744 653 HB3 PRO 84 2HB PRO 84 14.751 -2.926 -31.096 654 HG2 PRO 84 1HG PRO 84 15.779 -1.834 -33.687 655 HG3 PRO 84 2HG PRO 84 14.293 -2.749 -33.370 656 HD2 PRO 84 1HD PRO 84 14.312 -0.057 -33.660 657 HD3 PRO 84 2HD PRO 84 13.168 -0.893 -32.592 658 H VAL 85 H VAL 85 17.815 -2.190 -29.988 659 HA VAL 85 HA VAL 85 19.697 -0.132 -30.881 660 HB VAL 85 HB VAL 85 20.045 -2.415 -28.936 661 HG11 VAL 85 1HG1 VAL 85 22.113 -0.423 -28.830 662 HG12 VAL 85 2HG1 VAL 85 22.251 -2.170 -29.048 663 HG13 VAL 85 3HG1 VAL 85 22.017 -1.121 -30.447 664 HG21 VAL 85 1HG2 VAL 85 19.713 0.555 -28.611 665 HG22 VAL 85 2HG2 VAL 85 18.733 -0.738 -27.920 666 HG23 VAL 85 3HG2 VAL 85 20.376 -0.470 -27.338 667 H PHE 86 H PHE 86 20.355 -0.491 -32.915 668 HA PHE 86 HA PHE 86 20.457 -2.898 -34.273 669 HB2 PHE 86 1HB PHE 86 22.160 -1.738 -35.751 670 HB3 PHE 86 2HB PHE 86 20.638 -0.883 -35.525 671 HD1 PHE 86 1HD PHE 86 24.209 -0.938 -34.704 672 HD2 PHE 86 2HD PHE 86 20.546 1.197 -34.337 673 HE1 PHE 86 1HE PHE 86 25.447 1.048 -33.942 674 HE2 PHE 86 2HE PHE 86 21.777 3.187 -33.576 675 HZ PHE 86 HZ PHE 86 24.231 3.114 -33.379 676 H THR 87 H THR 87 21.691 -4.645 -34.120 677 HA THR 87 HA THR 87 24.469 -4.441 -33.300 678 HB THR 87 HB THR 87 22.626 -6.279 -31.768 679 HG1 THR 87 1HG THR 87 23.164 -4.709 -30.025 680 HG21 THR 87 1HG2 THR 87 24.812 -5.988 -30.240 681 HG22 THR 87 2HG2 THR 87 25.541 -5.769 -31.831 682 HG23 THR 87 3HG2 THR 87 24.656 -7.249 -31.461 683 H SER 88 H SER 88 25.686 -6.372 -33.708 684 HA SER 88 HA SER 88 24.339 -8.481 -35.211 685 HB2 SER 88 1HB SER 88 25.107 -6.698 -36.831 686 HB3 SER 88 2HB SER 88 26.761 -7.072 -36.346 687 HG SER 88 HG SER 88 25.787 -8.198 -38.265 688 H GLY 89 H GLY 89 24.940 -10.304 -34.256 689 HA2 GLY 89 1HA GLY 89 27.107 -11.704 -34.185 690 HA3 GLY 89 2HA GLY 89 27.625 -10.457 -33.061 691 HA PRO 90 HA PRO 90 25.990 -12.907 -29.802 692 HB2 PRO 90 1HB PRO 90 25.687 -10.981 -27.914 693 HB3 PRO 90 2HB PRO 90 27.265 -11.617 -28.391 694 HG2 PRO 90 1HG PRO 90 25.901 -9.095 -29.252 695 HG3 PRO 90 2HG PRO 90 27.598 -9.354 -28.807 696 HD2 PRO 90 1HD PRO 90 26.772 -9.207 -31.382 697 HD3 PRO 90 2HD PRO 90 28.137 -10.221 -30.874 698 H SER 91 H SER 91 24.357 -9.749 -30.146 699 HA SER 91 HA SER 91 22.162 -9.153 -30.104 700 HB2 SER 91 1HB SER 91 22.207 -10.998 -31.942 701 HB3 SER 91 2HB SER 91 21.389 -11.988 -30.733 702 HG SER 91 HG SER 91 19.659 -10.698 -30.817 703 H SER 92 H SER 92 23.409 -10.066 -27.678 704 HA SER 92 HA SER 92 21.308 -11.514 -26.265 705 HB2 SER 92 1HB SER 92 24.129 -10.730 -25.609 706 HB3 SER 92 2HB SER 92 23.016 -11.172 -24.314 707 HG SER 92 HG SER 92 24.362 -12.777 -25.956 708 H GLY 93 H GLY 93 22.954 -8.373 -26.180 709 HA2 GLY 93 1HA GLY 93 21.114 -6.585 -25.783 710 HA3 GLY 93 2HA GLY 93 20.966 -7.414 -24.240 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -18.974 13.763 -30.901 2 HA2 GLY 1 1HA GLY 1 -18.907 15.602 -29.492 3 HA3 GLY 1 2HA GLY 1 -17.201 15.284 -29.215 4 H SER 2 H SER 2 -18.372 17.850 -29.617 5 HA SER 2 HA SER 2 -17.046 18.610 -32.136 6 HB2 SER 2 1HB SER 2 -19.480 19.956 -30.944 7 HB3 SER 2 2HB SER 2 -18.695 20.362 -32.469 8 HG SER 2 HG SER 2 -19.200 17.868 -32.731 9 H SER 3 H SER 3 -18.156 19.850 -28.988 10 HA SER 3 HA SER 3 -16.073 21.893 -29.050 11 HB2 SER 3 1HB SER 3 -18.488 21.407 -27.328 12 HB3 SER 3 2HB SER 3 -17.211 22.494 -26.783 13 HG SER 3 HG SER 3 -17.577 23.345 -29.117 14 H GLY 4 H GLY 4 -14.136 21.480 -28.235 15 HA2 GLY 4 1HA GLY 4 -12.554 20.835 -26.668 16 HA3 GLY 4 2HA GLY 4 -13.847 20.169 -25.682 17 H SER 5 H SER 5 -13.518 18.086 -25.324 18 HA SER 5 HA SER 5 -13.254 16.238 -27.495 19 HB2 SER 5 1HB SER 5 -11.094 15.345 -27.017 20 HB3 SER 5 2HB SER 5 -10.890 17.094 -27.129 21 HG SER 5 HG SER 5 -11.255 16.960 -24.716 22 H SER 6 H SER 6 -13.145 13.964 -26.699 23 HA SER 6 HA SER 6 -13.610 13.359 -23.967 24 HB2 SER 6 1HB SER 6 -16.006 13.567 -25.788 25 HB3 SER 6 2HB SER 6 -16.010 12.552 -24.346 26 HG SER 6 HG SER 6 -15.296 14.583 -23.250 27 H GLY 7 H GLY 7 -13.334 11.215 -23.590 28 HA2 GLY 7 1HA GLY 7 -12.921 9.530 -25.970 29 HA3 GLY 7 2HA GLY 7 -12.177 9.270 -24.399 30 H MET 8 H MET 8 -12.921 7.501 -23.457 31 HA MET 8 HA MET 8 -15.763 7.090 -23.162 32 HB2 MET 8 1HB MET 8 -15.849 4.899 -24.163 33 HB3 MET 8 2HB MET 8 -15.256 6.044 -25.360 34 HG2 MET 8 1HG MET 8 -12.943 5.300 -24.826 35 HG3 MET 8 2HG MET 8 -13.637 4.057 -23.788 36 HE1 MET 8 1HE MET 8 -14.942 2.044 -24.545 37 HE2 MET 8 2HE MET 8 -14.416 1.238 -26.022 38 HE3 MET 8 3HE MET 8 -13.228 1.721 -24.810 39 HA PRO 9 HA PRO 9 -14.359 5.473 -19.317 40 HB2 PRO 9 1HB PRO 9 -16.582 4.096 -18.587 41 HB3 PRO 9 2HB PRO 9 -16.489 5.861 -18.547 42 HG2 PRO 9 1HG PRO 9 -17.704 4.075 -20.620 43 HG3 PRO 9 2HG PRO 9 -18.334 5.584 -19.933 44 HD2 PRO 9 1HD PRO 9 -17.116 5.480 -22.350 45 HD3 PRO 9 2HD PRO 9 -17.014 6.899 -21.289 46 H ASN 10 H ASN 10 -12.735 4.016 -19.775 47 HA ASN 10 HA ASN 10 -13.535 1.291 -20.529 48 HB2 ASN 10 1HB ASN 10 -10.996 1.042 -20.903 49 HB3 ASN 10 2HB ASN 10 -11.904 2.021 -22.052 50 HD21 ASN 10 1HD2 ASN 10 -9.560 2.017 -19.509 51 HD22 ASN 10 2HD2 ASN 10 -9.041 3.655 -19.703 52 H ARG 11 H ARG 11 -13.248 -0.387 -19.177 53 HA ARG 11 HA ARG 11 -12.775 0.073 -16.432 54 HB2 ARG 11 1HB ARG 11 -14.195 -1.751 -17.158 55 HB3 ARG 11 2HB ARG 11 -12.854 -2.500 -18.014 56 HG2 ARG 11 1HG ARG 11 -11.701 -2.717 -15.787 57 HG3 ARG 11 2HG ARG 11 -13.225 -2.226 -15.045 58 HD2 ARG 11 1HD ARG 11 -13.381 -4.531 -14.992 59 HD3 ARG 11 2HD ARG 11 -14.241 -4.135 -16.479 60 HE ARG 11 HE ARG 11 -12.655 -5.296 -17.630 61 HH11 ARG 11 1HH1 ARG 11 -11.334 -4.386 -14.542 62 HH12 ARG 11 2HH1 ARG 11 -9.855 -5.259 -14.771 63 HH21 ARG 11 1HH2 ARG 11 -10.713 -6.450 -17.944 64 HH22 ARG 11 2HH2 ARG 11 -9.503 -6.432 -16.707 65 H LYS 12 H LYS 12 -10.822 0.776 -15.792 66 HA LYS 12 HA LYS 12 -8.510 -0.928 -16.413 67 HB2 LYS 12 1HB LYS 12 -8.619 1.287 -17.738 68 HB3 LYS 12 2HB LYS 12 -8.243 2.060 -16.203 69 HG2 LYS 12 1HG LYS 12 -6.145 1.831 -17.048 70 HG3 LYS 12 2HG LYS 12 -6.284 0.296 -16.187 71 HD2 LYS 12 1HD LYS 12 -7.089 -0.716 -18.347 72 HD3 LYS 12 2HD LYS 12 -6.644 0.797 -19.138 73 HE2 LYS 12 1HE LYS 12 -4.657 -0.664 -17.444 74 HE3 LYS 12 2HE LYS 12 -4.959 -1.182 -19.103 75 HZ1 LYS 12 1HZ LYS 12 -3.092 0.446 -18.775 76 HZ2 LYS 12 2HZ LYS 12 -4.261 1.611 -18.404 77 HZ3 LYS 12 3HZ LYS 12 -4.246 0.886 -19.932 78 H ALA 13 H ALA 13 -7.936 -1.808 -14.539 79 HA ALA 13 HA ALA 13 -8.476 -0.530 -12.019 80 HB1 ALA 13 1HB ALA 13 -6.772 -2.708 -11.579 81 HB2 ALA 13 2HB ALA 13 -8.527 -2.662 -11.403 82 HB3 ALA 13 3HB ALA 13 -7.807 -3.170 -12.930 83 H SER 14 H SER 14 -7.148 0.692 -10.836 84 HA SER 14 HA SER 14 -4.341 0.914 -11.704 85 HB2 SER 14 1HB SER 14 -6.116 2.992 -10.404 86 HB3 SER 14 2HB SER 14 -4.405 3.215 -10.767 87 HG SER 14 HG SER 14 -5.326 4.005 -12.537 88 H ARG 15 H ARG 15 -2.827 0.311 -10.308 89 HA ARG 15 HA ARG 15 -3.608 -0.138 -7.511 90 HB2 ARG 15 1HB ARG 15 -1.515 -1.379 -9.276 91 HB3 ARG 15 2HB ARG 15 -1.414 -1.506 -7.525 92 HG2 ARG 15 1HG ARG 15 -3.191 -2.919 -7.382 93 HG3 ARG 15 2HG ARG 15 -3.972 -2.261 -8.822 94 HD2 ARG 15 1HD ARG 15 -1.385 -3.695 -9.139 95 HD3 ARG 15 2HD ARG 15 -2.836 -4.646 -8.826 96 HE ARG 15 HE ARG 15 -2.124 -3.397 -11.270 97 HH11 ARG 15 1HH1 ARG 15 -4.860 -4.150 -9.253 98 HH12 ARG 15 2HH1 ARG 15 -5.984 -4.194 -10.570 99 HH21 ARG 15 1HH2 ARG 15 -3.594 -3.452 -13.012 100 HH22 ARG 15 2HH2 ARG 15 -5.263 -3.798 -12.708 101 H ASN 16 H ASN 16 -2.254 0.535 -5.812 102 HA ASN 16 HA ASN 16 0.103 2.092 -6.321 103 HB2 ASN 16 1HB ASN 16 -2.072 3.566 -6.688 104 HB3 ASN 16 2HB ASN 16 -2.024 3.658 -4.930 105 HD21 ASN 16 1HD2 ASN 16 0.122 4.282 -4.008 106 HD22 ASN 16 2HD2 ASN 16 1.006 5.515 -4.834 107 H ALA 17 H ALA 17 1.131 2.830 -4.330 108 HA ALA 17 HA ALA 17 1.544 1.042 -2.410 109 HB1 ALA 17 1HB ALA 17 1.243 3.783 -1.334 110 HB2 ALA 17 2HB ALA 17 2.594 2.656 -1.212 111 HB3 ALA 17 3HB ALA 17 2.340 3.571 -2.699 112 H TYR 18 H TYR 18 -1.245 3.182 -2.525 113 HA TYR 18 HA TYR 18 -2.266 2.591 0.039 114 HB2 TYR 18 1HB TYR 18 -2.953 4.519 -1.433 115 HB3 TYR 18 2HB TYR 18 -3.879 3.372 -2.395 116 HD1 TYR 18 2HD TYR 18 -3.465 3.828 1.293 117 HD2 TYR 18 1HD TYR 18 -6.132 3.701 -2.019 118 HE1 TYR 18 2HE TYR 18 -5.371 4.090 2.825 119 HE2 TYR 18 1HE TYR 18 -8.046 3.965 -0.497 120 HH TYR 18 HH TYR 18 -8.489 3.447 2.009 121 H TYR 19 H TYR 19 -3.178 1.327 -3.167 122 HA TYR 19 HA TYR 19 -5.105 -0.485 -2.404 123 HB2 TYR 19 1HB TYR 19 -4.683 -0.051 -4.736 124 HB3 TYR 19 2HB TYR 19 -3.052 -0.702 -4.612 125 HD1 TYR 19 2HD TYR 19 -6.615 -1.528 -4.817 126 HD2 TYR 19 1HD TYR 19 -2.669 -3.097 -4.557 127 HE1 TYR 19 2HE TYR 19 -7.462 -3.748 -5.454 128 HE2 TYR 19 1HE TYR 19 -3.505 -5.320 -5.195 129 HH TYR 19 HH TYR 19 -6.959 -5.875 -5.819 130 H PHE 20 H PHE 20 -1.596 -1.003 -2.587 131 HA PHE 20 HA PHE 20 -1.539 -3.694 -1.890 132 HB2 PHE 20 1HB PHE 20 0.394 -1.439 -1.729 133 HB3 PHE 20 2HB PHE 20 0.768 -2.891 -0.805 134 HD1 PHE 20 2HD PHE 20 -0.390 -1.949 -4.226 135 HD2 PHE 20 1HD PHE 20 2.045 -4.489 -1.832 136 HE1 PHE 20 2HE PHE 20 0.502 -3.007 -6.261 137 HE2 PHE 20 1HE PHE 20 2.942 -5.551 -3.863 138 HZ PHE 20 HZ PHE 20 2.169 -4.811 -6.081 139 H PHE 21 H PHE 21 -1.513 -0.824 0.185 140 HA PHE 21 HA PHE 21 -1.219 -2.188 2.633 141 HB2 PHE 21 1HB PHE 21 -0.781 0.168 2.557 142 HB3 PHE 21 2HB PHE 21 -2.406 0.509 1.970 143 HD1 PHE 21 1HD PHE 21 -0.486 -0.689 4.895 144 HD2 PHE 21 2HD PHE 21 -4.183 0.858 3.460 145 HE1 PHE 21 1HE PHE 21 -1.249 -0.371 7.212 146 HE2 PHE 21 2HE PHE 21 -4.951 1.179 5.776 147 HZ PHE 21 HZ PHE 21 -3.484 0.565 7.655 148 H VAL 22 H VAL 22 -4.111 -1.004 0.941 149 HA VAL 22 HA VAL 22 -5.987 -1.857 2.853 150 HB VAL 22 HB VAL 22 -6.345 -1.493 -0.124 151 HG11 VAL 22 1HG1 VAL 22 -8.134 -2.490 1.901 152 HG12 VAL 22 2HG1 VAL 22 -8.748 -0.988 1.208 153 HG13 VAL 22 3HG1 VAL 22 -8.374 -2.356 0.158 154 HG21 VAL 22 1HG2 VAL 22 -7.338 0.455 1.884 155 HG22 VAL 22 2HG2 VAL 22 -5.607 0.433 1.545 156 HG23 VAL 22 3HG2 VAL 22 -6.758 0.721 0.240 157 H GLN 23 H GLN 23 -4.552 -3.483 0.073 158 HA GLN 23 HA GLN 23 -6.207 -5.740 0.013 159 HB2 GLN 23 1HB GLN 23 -4.448 -4.998 -1.691 160 HB3 GLN 23 2HB GLN 23 -3.270 -5.788 -0.653 161 HG2 GLN 23 1HG GLN 23 -4.956 -7.807 -0.881 162 HG3 GLN 23 2HG GLN 23 -5.382 -6.963 -2.370 163 HE21 GLN 23 1HE2 GLN 23 -4.565 -8.645 -3.627 164 HE22 GLN 23 2HE2 GLN 23 -2.867 -8.898 -3.822 165 H GLU 24 H GLU 24 -3.248 -5.079 1.835 166 HA GLU 24 HA GLU 24 -3.191 -7.696 3.028 167 HB2 GLU 24 1HB GLU 24 -1.608 -5.172 3.400 168 HB3 GLU 24 2HB GLU 24 -1.451 -6.498 4.542 169 HG2 GLU 24 1HG GLU 24 -0.904 -6.606 1.586 170 HG3 GLU 24 2HG GLU 24 0.292 -6.614 2.881 171 H LYS 25 H LYS 25 -5.364 -5.413 3.409 172 HA LYS 25 HA LYS 25 -5.607 -5.816 6.320 173 HB2 LYS 25 1HB LYS 25 -6.418 -3.443 4.637 174 HB3 LYS 25 2HB LYS 25 -6.938 -3.672 6.301 175 HG2 LYS 25 1HG LYS 25 -4.029 -3.716 5.637 176 HG3 LYS 25 2HG LYS 25 -4.883 -2.177 5.776 177 HD2 LYS 25 1HD LYS 25 -5.406 -2.541 8.031 178 HD3 LYS 25 2HD LYS 25 -5.061 -4.269 7.922 179 HE2 LYS 25 1HE LYS 25 -2.857 -2.359 7.349 180 HE3 LYS 25 2HE LYS 25 -3.360 -2.565 9.027 181 HZ1 LYS 25 1HZ LYS 25 -2.601 -4.807 7.234 182 HZ2 LYS 25 2HZ LYS 25 -2.906 -4.889 8.897 183 HZ3 LYS 25 3HZ LYS 25 -1.541 -4.068 8.326 184 H ILE 26 H ILE 26 -7.085 -6.068 3.217 185 HA ILE 26 HA ILE 26 -9.758 -6.076 3.609 186 HB ILE 26 HB ILE 26 -7.982 -7.754 1.928 187 HG12 ILE 26 1HG1 ILE 26 -10.496 -6.233 1.232 188 HG13 ILE 26 2HG1 ILE 26 -8.912 -5.471 1.335 189 HG21 ILE 26 1HG2 ILE 26 -9.442 -9.483 2.638 190 HG22 ILE 26 2HG2 ILE 26 -10.857 -8.442 2.489 191 HG23 ILE 26 3HG2 ILE 26 -9.999 -8.977 1.043 192 HD11 ILE 26 1HD1 ILE 26 -8.988 -7.852 -0.357 193 HD12 ILE 26 2HD1 ILE 26 -9.998 -6.519 -0.918 194 HD13 ILE 26 3HD1 ILE 26 -8.274 -6.267 -0.649 195 HA PRO 27 HA PRO 27 -9.749 -10.558 5.418 196 HB2 PRO 27 1HB PRO 27 -7.345 -11.621 6.098 197 HB3 PRO 27 2HB PRO 27 -8.059 -11.807 4.490 198 HG2 PRO 27 1HG PRO 27 -5.956 -9.890 5.420 199 HG3 PRO 27 2HG PRO 27 -6.023 -10.836 3.922 200 HD2 PRO 27 1HD PRO 27 -6.691 -8.215 4.020 201 HD3 PRO 27 2HD PRO 27 -7.467 -9.356 2.904 202 H GLU 28 H GLU 28 -7.572 -8.103 6.559 203 HA GLU 28 HA GLU 28 -7.483 -8.947 9.281 204 HB2 GLU 28 1HB GLU 28 -5.735 -7.522 8.441 205 HB3 GLU 28 2HB GLU 28 -6.898 -6.290 7.974 206 HG2 GLU 28 1HG GLU 28 -5.885 -5.515 9.944 207 HG3 GLU 28 2HG GLU 28 -7.486 -6.084 10.414 208 H LEU 29 H LEU 29 -9.541 -6.784 7.421 209 HA LEU 29 HA LEU 29 -10.966 -5.835 9.738 210 HB2 LEU 29 1HB LEU 29 -11.472 -5.553 6.783 211 HB3 LEU 29 2HB LEU 29 -12.483 -4.818 8.024 212 HG LEU 29 HG LEU 29 -9.558 -4.216 7.589 213 HD11 LEU 29 1HD1 LEU 29 -11.345 -2.022 7.131 214 HD12 LEU 29 2HD1 LEU 29 -11.777 -3.381 6.094 215 HD13 LEU 29 3HD1 LEU 29 -10.139 -2.728 6.054 216 HD21 LEU 29 1HD2 LEU 29 -10.658 -2.154 9.006 217 HD22 LEU 29 2HD2 LEU 29 -9.720 -3.478 9.697 218 HD23 LEU 29 3HD2 LEU 29 -11.483 -3.555 9.689 219 H ARG 30 H ARG 30 -11.529 -8.163 7.141 220 HA ARG 30 HA ARG 30 -14.170 -8.795 7.523 221 HB2 ARG 30 1HB ARG 30 -11.794 -10.410 6.689 222 HB3 ARG 30 2HB ARG 30 -13.335 -11.219 6.942 223 HG2 ARG 30 1HG ARG 30 -14.378 -9.983 5.226 224 HG3 ARG 30 2HG ARG 30 -13.038 -8.839 5.136 225 HD2 ARG 30 1HD ARG 30 -12.904 -10.340 3.264 226 HD3 ARG 30 2HD ARG 30 -11.576 -10.688 4.370 227 HE ARG 30 HE ARG 30 -12.450 -12.774 4.702 228 HH11 ARG 30 1HH1 ARG 30 -14.891 -10.735 3.284 229 HH12 ARG 30 2HH1 ARG 30 -16.019 -12.028 3.047 230 HH21 ARG 30 1HH2 ARG 30 -13.928 -14.484 4.396 231 HH22 ARG 30 2HH2 ARG 30 -15.470 -14.160 3.681 232 H ARG 31 H ARG 31 -11.382 -9.931 9.377 233 HA ARG 31 HA ARG 31 -12.866 -11.732 11.009 234 HB2 ARG 31 1HB ARG 31 -10.142 -10.471 11.310 235 HB3 ARG 31 2HB ARG 31 -10.801 -11.606 12.481 236 HG2 ARG 31 1HG ARG 31 -11.125 -13.139 10.402 237 HG3 ARG 31 2HG ARG 31 -9.914 -12.081 9.675 238 HD2 ARG 31 1HD ARG 31 -8.601 -13.743 10.588 239 HD3 ARG 31 2HD ARG 31 -8.594 -12.532 11.870 240 HE ARG 31 HE ARG 31 -9.738 -13.995 13.210 241 HH11 ARG 31 1HH1 ARG 31 -9.914 -15.089 9.910 242 HH12 ARG 31 2HH1 ARG 31 -10.647 -16.607 10.315 243 HH21 ARG 31 1HH2 ARG 31 -10.702 -15.988 13.757 244 HH22 ARG 31 2HH2 ARG 31 -11.094 -17.116 12.503 245 H ARG 32 H ARG 32 -11.750 -8.396 11.411 246 HA ARG 32 HA ARG 32 -12.415 -7.969 14.056 247 HB2 ARG 32 1HB ARG 32 -12.356 -6.182 11.652 248 HB3 ARG 32 2HB ARG 32 -12.940 -5.557 13.188 249 HG2 ARG 32 1HG ARG 32 -10.684 -6.580 14.079 250 HG3 ARG 32 2HG ARG 32 -10.202 -6.390 12.393 251 HD2 ARG 32 1HD ARG 32 -9.573 -4.418 13.620 252 HD3 ARG 32 2HD ARG 32 -10.882 -4.015 12.509 253 HE ARG 32 HE ARG 32 -12.204 -3.514 14.308 254 HH11 ARG 32 1HH1 ARG 32 -9.455 -5.353 15.393 255 HH12 ARG 32 2HH1 ARG 32 -9.807 -5.134 17.075 256 HH21 ARG 32 1HH2 ARG 32 -12.678 -3.218 16.519 257 HH22 ARG 32 2HH2 ARG 32 -11.642 -3.920 17.714 258 H GLY 33 H GLY 33 -14.499 -7.859 11.202 259 HA2 GLY 33 1HA GLY 33 -16.800 -8.716 11.623 260 HA3 GLY 33 2HA GLY 33 -16.820 -7.654 13.023 261 H LEU 34 H LEU 34 -15.712 -7.066 9.698 262 HA LEU 34 HA LEU 34 -17.811 -5.018 9.447 263 HB2 LEU 34 1HB LEU 34 -14.901 -4.784 8.710 264 HB3 LEU 34 2HB LEU 34 -16.141 -3.657 8.165 265 HG LEU 34 HG LEU 34 -15.481 -4.152 11.065 266 HD11 LEU 34 1HD1 LEU 34 -13.538 -3.228 9.910 267 HD12 LEU 34 2HD1 LEU 34 -14.264 -2.042 10.994 268 HD13 LEU 34 3HD1 LEU 34 -14.539 -1.931 9.256 269 HD21 LEU 34 1HD2 LEU 34 -17.685 -3.287 10.810 270 HD22 LEU 34 2HD2 LEU 34 -17.148 -2.098 9.623 271 HD23 LEU 34 3HD2 LEU 34 -16.650 -1.949 11.309 272 HA PRO 35 HA PRO 35 -18.748 -6.985 5.622 273 HB2 PRO 35 1HB PRO 35 -20.021 -4.932 4.385 274 HB3 PRO 35 2HB PRO 35 -20.747 -5.857 5.705 275 HG2 PRO 35 1HG PRO 35 -19.390 -3.191 5.783 276 HG3 PRO 35 2HG PRO 35 -20.879 -3.712 6.594 277 HD2 PRO 35 1HD PRO 35 -18.498 -3.570 7.874 278 HD3 PRO 35 2HD PRO 35 -19.734 -4.775 8.289 279 H VAL 36 H VAL 36 -16.486 -7.135 4.976 280 HA VAL 36 HA VAL 36 -15.819 -5.189 2.866 281 HB VAL 36 HB VAL 36 -13.371 -5.969 3.435 282 HG11 VAL 36 1HG1 VAL 36 -15.072 -3.841 4.595 283 HG12 VAL 36 2HG1 VAL 36 -13.489 -4.094 5.333 284 HG13 VAL 36 3HG1 VAL 36 -13.611 -3.720 3.614 285 HG21 VAL 36 1HG2 VAL 36 -12.940 -6.747 5.540 286 HG22 VAL 36 2HG2 VAL 36 -14.390 -6.019 6.229 287 HG23 VAL 36 3HG2 VAL 36 -14.514 -7.493 5.270 288 H ALA 37 H ALA 37 -16.148 -6.212 0.998 289 HA ALA 37 HA ALA 37 -15.514 -9.061 0.774 290 HB1 ALA 37 1HB ALA 37 -17.677 -8.595 -0.032 291 HB2 ALA 37 2HB ALA 37 -17.121 -7.189 -0.941 292 HB3 ALA 37 3HB ALA 37 -16.675 -8.812 -1.467 293 H ARG 38 H ARG 38 -14.718 -5.934 -0.666 294 HA ARG 38 HA ARG 38 -12.259 -7.118 -1.727 295 HB2 ARG 38 1HB ARG 38 -12.515 -6.057 -3.873 296 HB3 ARG 38 2HB ARG 38 -13.942 -7.035 -3.560 297 HG2 ARG 38 1HG ARG 38 -15.291 -5.172 -3.195 298 HG3 ARG 38 2HG ARG 38 -13.907 -4.109 -2.932 299 HD2 ARG 38 1HD ARG 38 -14.976 -3.724 -5.112 300 HD3 ARG 38 2HD ARG 38 -13.305 -4.265 -5.274 301 HE ARG 38 HE ARG 38 -14.058 -6.148 -6.331 302 HH11 ARG 38 1HH1 ARG 38 -16.721 -4.633 -4.679 303 HH12 ARG 38 2HH1 ARG 38 -17.915 -5.681 -5.367 304 HH21 ARG 38 1HH2 ARG 38 -15.621 -7.536 -7.244 305 HH22 ARG 38 2HH2 ARG 38 -17.288 -7.333 -6.826 306 H VAL 39 H VAL 39 -10.827 -5.250 -2.635 307 HA VAL 39 HA VAL 39 -10.005 -3.639 -0.574 308 HB VAL 39 HB VAL 39 -9.730 -3.161 -3.541 309 HG11 VAL 39 1HG1 VAL 39 -7.641 -1.930 -2.063 310 HG12 VAL 39 2HG1 VAL 39 -8.832 -1.175 -3.124 311 HG13 VAL 39 3HG1 VAL 39 -9.181 -1.372 -1.406 312 HG21 VAL 39 1HG2 VAL 39 -8.728 -5.220 -2.299 313 HG22 VAL 39 2HG2 VAL 39 -7.730 -4.313 -3.436 314 HG23 VAL 39 3HG2 VAL 39 -7.550 -4.051 -1.702 315 H ALA 40 H ALA 40 -12.076 -2.662 -3.304 316 HA ALA 40 HA ALA 40 -12.503 -0.034 -2.774 317 HB1 ALA 40 1HB ALA 40 -13.496 -1.379 -4.644 318 HB2 ALA 40 2HB ALA 40 -14.744 -1.905 -3.513 319 HB3 ALA 40 3HB ALA 40 -14.583 -0.196 -3.916 320 H ASP 41 H ASP 41 -13.925 -2.773 -1.075 321 HA ASP 41 HA ASP 41 -15.657 -1.147 0.538 322 HB2 ASP 41 1HB ASP 41 -14.934 -4.048 0.440 323 HB3 ASP 41 2HB ASP 41 -15.717 -3.413 1.885 324 H ALA 42 H ALA 42 -12.512 -2.691 0.937 325 HA ALA 42 HA ALA 42 -12.287 -1.835 3.694 326 HB1 ALA 42 1HB ALA 42 -9.915 -2.769 3.382 327 HB2 ALA 42 2HB ALA 42 -11.269 -3.898 3.324 328 HB3 ALA 42 3HB ALA 42 -10.504 -3.359 1.827 329 H ILE 43 H ILE 43 -12.195 -0.147 0.971 330 HA ILE 43 HA ILE 43 -9.739 1.249 1.061 331 HB ILE 43 HB ILE 43 -12.360 1.668 -0.262 332 HG12 ILE 43 1HG1 ILE 43 -9.472 1.786 -1.157 333 HG13 ILE 43 2HG1 ILE 43 -10.587 0.444 -1.390 334 HG21 ILE 43 1HG2 ILE 43 -10.408 3.883 0.293 335 HG22 ILE 43 2HG2 ILE 43 -11.518 3.922 -1.075 336 HG23 ILE 43 3HG2 ILE 43 -12.149 3.858 0.571 337 HD11 ILE 43 1HD1 ILE 43 -11.925 2.519 -2.556 338 HD12 ILE 43 2HD1 ILE 43 -10.242 2.886 -2.936 339 HD13 ILE 43 3HD1 ILE 43 -10.932 1.331 -3.400 340 HA PRO 44 HA PRO 44 -12.153 4.647 3.506 341 HB2 PRO 44 1HB PRO 44 -14.608 3.987 4.461 342 HB3 PRO 44 2HB PRO 44 -14.358 4.702 2.863 343 HG2 PRO 44 1HG PRO 44 -14.783 1.834 3.609 344 HG3 PRO 44 2HG PRO 44 -15.482 2.756 2.265 345 HD2 PRO 44 1HD PRO 44 -13.390 1.067 1.941 346 HD3 PRO 44 2HD PRO 44 -13.590 2.538 0.966 347 H TYR 45 H TYR 45 -13.078 1.388 4.609 348 HA TYR 45 HA TYR 45 -12.931 1.859 7.351 349 HB2 TYR 45 1HB TYR 45 -12.319 -0.707 5.869 350 HB3 TYR 45 2HB TYR 45 -12.681 -0.578 7.586 351 HD1 TYR 45 2HD TYR 45 -14.965 1.087 7.812 352 HD2 TYR 45 1HD TYR 45 -14.056 -1.713 4.740 353 HE1 TYR 45 2HE TYR 45 -17.364 0.849 7.327 354 HE2 TYR 45 1HE TYR 45 -16.453 -1.957 4.245 355 HH TYR 45 HH TYR 45 -18.881 0.007 5.909 356 H CYS 46 H CYS 46 -10.456 1.874 5.065 357 HA CYS 46 HA CYS 46 -8.410 1.384 7.124 358 HB2 CYS 46 1HB CYS 46 -8.302 1.170 4.115 359 HB3 CYS 46 2HB CYS 46 -6.857 1.167 5.119 360 HG CYS 46 HG CYS 46 -7.641 -1.456 4.237 361 H SER 47 H SER 47 -9.647 3.667 4.802 362 HA SER 47 HA SER 47 -7.761 5.499 4.355 363 HB2 SER 47 1HB SER 47 -9.427 7.206 4.319 364 HB3 SER 47 2HB SER 47 -10.246 5.710 3.872 365 HG SER 47 HG SER 47 -10.834 5.569 6.157 366 H SER 48 H SER 48 -9.232 4.891 7.486 367 HA SER 48 HA SER 48 -8.026 7.109 8.810 368 HB2 SER 48 1HB SER 48 -9.958 6.255 9.858 369 HB3 SER 48 2HB SER 48 -9.377 4.592 9.769 370 HG SER 48 HG SER 48 -8.823 5.015 11.769 371 H ASP 49 H ASP 49 -7.351 3.608 8.935 372 HA ASP 49 HA ASP 49 -5.043 3.755 10.492 373 HB2 ASP 49 1HB ASP 49 -5.914 1.747 8.412 374 HB3 ASP 49 2HB ASP 49 -4.469 1.535 9.398 375 H TRP 50 H TRP 50 -5.390 3.760 6.957 376 HA TRP 50 HA TRP 50 -2.674 3.830 6.310 377 HB2 TRP 50 1HB TRP 50 -4.325 3.382 4.608 378 HB3 TRP 50 2HB TRP 50 -5.062 4.964 4.844 379 HD1 TRP 50 HD TRP 50 -4.157 6.908 3.396 380 HE1 TRP 50 1HE TRP 50 -2.244 7.162 1.694 381 HE3 TRP 50 3HE TRP 50 -1.803 2.432 4.149 382 HZ2 TRP 50 2HZ TRP 50 -0.029 5.663 0.789 383 HZ3 TRP 50 3HZ TRP 50 0.205 1.919 2.823 384 HH2 TRP 50 HH TRP 50 1.073 3.502 1.179 385 H ALA 51 H ALA 51 -4.901 6.407 7.185 386 HA ALA 51 HA ALA 51 -3.181 8.564 6.514 387 HB1 ALA 51 1HB ALA 51 -5.237 9.440 6.724 388 HB2 ALA 51 2HB ALA 51 -5.747 8.226 7.897 389 HB3 ALA 51 3HB ALA 51 -4.794 9.612 8.423 390 H LEU 52 H LEU 52 -2.970 6.253 8.919 391 HA LEU 52 HA LEU 52 -1.646 8.008 10.841 392 HB2 LEU 52 1HB LEU 52 -2.400 5.095 10.932 393 HB3 LEU 52 2HB LEU 52 -1.493 5.908 12.206 394 HG LEU 52 HG LEU 52 -4.291 6.637 11.342 395 HD11 LEU 52 1HD1 LEU 52 -5.056 5.040 12.673 396 HD12 LEU 52 2HD1 LEU 52 -4.097 5.662 14.016 397 HD13 LEU 52 3HD1 LEU 52 -3.404 4.472 12.915 398 HD21 LEU 52 1HD2 LEU 52 -3.285 8.564 12.238 399 HD22 LEU 52 2HD2 LEU 52 -2.454 7.648 13.495 400 HD23 LEU 52 3HD2 LEU 52 -4.203 7.859 13.570 401 H LEU 53 H LEU 53 -0.927 5.734 8.354 402 HA LEU 53 HA LEU 53 1.582 4.808 9.126 403 HB2 LEU 53 1HB LEU 53 0.215 5.238 6.520 404 HB3 LEU 53 2HB LEU 53 1.945 4.898 6.509 405 HG LEU 53 HG LEU 53 0.110 3.077 8.003 406 HD11 LEU 53 1HD1 LEU 53 -0.490 1.854 6.100 407 HD12 LEU 53 2HD1 LEU 53 0.648 2.723 5.073 408 HD13 LEU 53 3HD1 LEU 53 -0.800 3.535 5.666 409 HD21 LEU 53 1HD2 LEU 53 1.920 1.787 8.117 410 HD22 LEU 53 2HD2 LEU 53 2.835 3.161 7.493 411 HD23 LEU 53 3HD2 LEU 53 2.219 1.934 6.384 412 H ARG 54 H ARG 54 3.708 5.455 8.408 413 HA ARG 54 HA ARG 54 4.006 8.359 8.454 414 HB2 ARG 54 1HB ARG 54 6.216 6.316 8.614 415 HB3 ARG 54 2HB ARG 54 6.257 7.997 9.127 416 HG2 ARG 54 1HG ARG 54 4.289 6.195 10.424 417 HG3 ARG 54 2HG ARG 54 5.993 6.019 10.848 418 HD2 ARG 54 1HD ARG 54 6.128 8.257 11.608 419 HD3 ARG 54 2HD ARG 54 4.570 8.667 10.893 420 HE ARG 54 HE ARG 54 3.915 6.747 12.662 421 HH11 ARG 54 1HH1 ARG 54 5.806 9.658 12.935 422 HH12 ARG 54 2HH1 ARG 54 5.408 9.916 14.601 423 HH21 ARG 54 1HH2 ARG 54 3.383 7.076 14.856 424 HH22 ARG 54 2HH2 ARG 54 4.030 8.447 15.693 425 H GLU 55 H GLU 55 5.493 9.430 7.014 426 HA GLU 55 HA GLU 55 5.048 9.044 4.347 427 HB2 GLU 55 1HB GLU 55 6.254 10.975 5.612 428 HB3 GLU 55 2HB GLU 55 7.717 10.067 5.259 429 HG2 GLU 55 1HG GLU 55 7.208 10.178 2.870 430 HG3 GLU 55 2HG GLU 55 5.750 11.102 3.230 431 H GLU 56 H GLU 56 7.750 7.756 6.251 432 HA GLU 56 HA GLU 56 9.178 6.553 4.185 433 HB2 GLU 56 1HB GLU 56 9.815 6.831 6.658 434 HB3 GLU 56 2HB GLU 56 8.925 5.338 6.927 435 HG2 GLU 56 1HG GLU 56 10.405 4.269 5.201 436 HG3 GLU 56 2HG GLU 56 11.378 5.738 5.240 437 H GLU 57 H GLU 57 6.587 5.210 6.212 438 HA GLU 57 HA GLU 57 6.569 2.631 5.135 439 HB2 GLU 57 1HB GLU 57 4.106 4.077 6.096 440 HB3 GLU 57 2HB GLU 57 4.440 2.352 6.155 441 HG2 GLU 57 1HG GLU 57 5.721 4.520 7.795 442 HG3 GLU 57 2HG GLU 57 4.660 3.228 8.355 443 H LYS 58 H LYS 58 4.468 5.392 4.311 444 HA LYS 58 HA LYS 58 3.046 4.238 2.245 445 HB2 LYS 58 1HB LYS 58 3.992 7.105 2.246 446 HB3 LYS 58 2HB LYS 58 2.539 6.457 1.495 447 HG2 LYS 58 1HG LYS 58 1.819 5.818 3.862 448 HG3 LYS 58 2HG LYS 58 3.107 6.896 4.405 449 HD2 LYS 58 1HD LYS 58 2.094 8.770 3.343 450 HD3 LYS 58 2HD LYS 58 0.942 7.742 2.488 451 HE2 LYS 58 1HE LYS 58 -0.378 8.501 4.198 452 HE3 LYS 58 2HE LYS 58 0.267 7.032 4.928 453 HZ1 LYS 58 1HZ LYS 58 1.673 9.592 5.296 454 HZ2 LYS 58 2HZ LYS 58 1.676 8.220 6.285 455 HZ3 LYS 58 3HZ LYS 58 0.321 9.232 6.248 456 H GLU 59 H GLU 59 6.164 5.929 2.084 457 HA GLU 59 HA GLU 59 6.516 5.812 -0.686 458 HB2 GLU 59 1HB GLU 59 7.887 7.080 1.088 459 HB3 GLU 59 2HB GLU 59 8.791 5.583 1.270 460 HG2 GLU 59 1HG GLU 59 8.431 6.822 -1.425 461 HG3 GLU 59 2HG GLU 59 9.674 7.408 -0.321 462 H LYS 60 H LYS 60 7.368 3.497 1.846 463 HA LYS 60 HA LYS 60 8.797 1.688 0.247 464 HB2 LYS 60 1HB LYS 60 9.053 1.316 2.522 465 HB3 LYS 60 2HB LYS 60 7.333 1.489 2.850 466 HG2 LYS 60 1HG LYS 60 6.963 -0.682 1.687 467 HG3 LYS 60 2HG LYS 60 8.716 -0.861 1.576 468 HD2 LYS 60 1HD LYS 60 8.324 -2.015 3.513 469 HD3 LYS 60 2HD LYS 60 8.577 -0.397 4.172 470 HE2 LYS 60 1HE LYS 60 6.635 -1.287 5.218 471 HE3 LYS 60 2HE LYS 60 6.093 -0.068 4.065 472 HZ1 LYS 60 1HZ LYS 60 5.549 -1.819 2.506 473 HZ2 LYS 60 2HZ LYS 60 4.737 -2.071 3.968 474 HZ3 LYS 60 3HZ LYS 60 6.099 -3.000 3.586 475 H TYR 61 H TYR 61 5.362 1.718 1.175 476 HA TYR 61 HA TYR 61 4.606 -0.601 -0.194 477 HB2 TYR 61 1HB TYR 61 3.167 1.807 0.826 478 HB3 TYR 61 2HB TYR 61 2.311 0.731 -0.274 479 HD1 TYR 61 2HD TYR 61 1.927 -1.639 0.370 480 HD2 TYR 61 1HD TYR 61 3.586 1.183 3.087 481 HE1 TYR 61 2HE TYR 61 1.396 -3.141 2.244 482 HE2 TYR 61 1HE TYR 61 3.061 -0.311 4.969 483 HH TYR 61 HH TYR 61 1.009 -2.481 5.077 484 H ALA 62 H ALA 62 4.896 2.737 -1.273 485 HA ALA 62 HA ALA 62 3.672 2.368 -3.807 486 HB1 ALA 62 1HB ALA 62 5.544 4.466 -3.998 487 HB2 ALA 62 2HB ALA 62 3.802 4.581 -3.745 488 HB3 ALA 62 3HB ALA 62 4.892 4.508 -2.360 489 H GLU 63 H GLU 63 7.014 2.183 -2.671 490 HA GLU 63 HA GLU 63 8.226 1.903 -5.199 491 HB2 GLU 63 1HB GLU 63 9.296 2.383 -2.890 492 HB3 GLU 63 2HB GLU 63 9.316 0.635 -2.704 493 HG2 GLU 63 1HG GLU 63 10.648 0.444 -4.754 494 HG3 GLU 63 2HG GLU 63 10.652 2.200 -4.902 495 H MET 64 H MET 64 7.217 -0.527 -2.805 496 HA MET 64 HA MET 64 7.978 -2.770 -4.341 497 HB2 MET 64 1HB MET 64 6.619 -4.069 -2.783 498 HB3 MET 64 2HB MET 64 7.593 -2.886 -1.919 499 HG2 MET 64 1HG MET 64 5.573 -1.400 -1.882 500 HG3 MET 64 2HG MET 64 4.650 -2.763 -2.510 501 HE1 MET 64 1HE MET 64 6.053 -5.355 -0.050 502 HE2 MET 64 2HE MET 64 4.296 -5.262 -0.175 503 HE3 MET 64 3HE MET 64 5.295 -5.052 -1.613 504 H ALA 65 H ALA 65 5.139 -0.757 -4.326 505 HA ALA 65 HA ALA 65 3.423 -2.549 -5.721 506 HB1 ALA 65 1HB ALA 65 2.234 -0.282 -6.262 507 HB2 ALA 65 2HB ALA 65 2.232 -0.922 -4.618 508 HB3 ALA 65 3HB ALA 65 3.359 0.359 -5.065 509 H ARG 66 H ARG 66 5.049 0.434 -6.826 510 HA ARG 66 HA ARG 66 4.488 0.132 -9.536 511 HB2 ARG 66 1HB ARG 66 6.401 1.668 -9.912 512 HB3 ARG 66 2HB ARG 66 5.304 2.230 -8.658 513 HG2 ARG 66 1HG ARG 66 6.918 1.154 -7.002 514 HG3 ARG 66 2HG ARG 66 8.049 1.065 -8.355 515 HD2 ARG 66 1HD ARG 66 6.687 3.643 -7.673 516 HD3 ARG 66 2HD ARG 66 8.111 3.120 -6.773 517 HE ARG 66 HE ARG 66 8.790 2.920 -9.434 518 HH11 ARG 66 1HH1 ARG 66 7.741 5.439 -7.273 519 HH12 ARG 66 2HH1 ARG 66 8.589 6.694 -8.115 520 HH21 ARG 66 1HH2 ARG 66 9.910 4.562 -10.551 521 HH22 ARG 66 2HH2 ARG 66 9.822 6.193 -9.980 522 H GLU 67 H GLU 67 7.523 -0.679 -7.840 523 HA GLU 67 HA GLU 67 8.864 -1.838 -9.964 524 HB2 GLU 67 1HB GLU 67 10.382 -2.646 -8.419 525 HB3 GLU 67 2HB GLU 67 9.623 -1.342 -7.516 526 HG2 GLU 67 1HG GLU 67 8.249 -2.888 -6.313 527 HG3 GLU 67 2HG GLU 67 8.803 -4.229 -7.314 528 H TRP 68 H TRP 68 6.620 -3.340 -7.671 529 HA TRP 68 HA TRP 68 6.876 -5.984 -8.520 530 HB2 TRP 68 1HB TRP 68 5.694 -5.506 -6.489 531 HB3 TRP 68 2HB TRP 68 4.519 -4.508 -7.341 532 HD1 TRP 68 HD TRP 68 5.578 -8.224 -7.091 533 HE1 TRP 68 1HE TRP 68 3.508 -9.674 -7.578 534 HE3 TRP 68 3HE TRP 68 2.258 -4.526 -8.291 535 HZ2 TRP 68 2HZ TRP 68 0.824 -9.301 -8.366 536 HZ3 TRP 68 3HZ TRP 68 -0.041 -5.157 -8.900 537 HH2 TRP 68 HH TRP 68 -0.740 -7.496 -8.937 538 H ARG 69 H ARG 69 4.569 -3.492 -9.589 539 HA ARG 69 HA ARG 69 3.198 -5.042 -11.463 540 HB2 ARG 69 1HB ARG 69 3.614 -2.126 -11.036 541 HB3 ARG 69 2HB ARG 69 2.970 -2.636 -12.590 542 HG2 ARG 69 1HG ARG 69 1.709 -3.720 -10.130 543 HG3 ARG 69 2HG ARG 69 1.397 -2.038 -10.566 544 HD2 ARG 69 1HD ARG 69 -0.304 -3.060 -11.700 545 HD3 ARG 69 2HD ARG 69 0.952 -3.096 -12.939 546 HE ARG 69 HE ARG 69 0.912 -5.434 -11.269 547 HH11 ARG 69 1HH1 ARG 69 -0.426 -3.919 -14.103 548 HH12 ARG 69 2HH1 ARG 69 -0.872 -5.417 -14.852 549 HH21 ARG 69 1HH2 ARG 69 0.330 -7.411 -12.245 550 HH22 ARG 69 2HH2 ARG 69 -0.443 -7.402 -13.793 551 H ALA 70 H ALA 70 6.117 -3.071 -11.812 552 HA ALA 70 HA ALA 70 6.420 -3.316 -14.588 553 HB1 ALA 70 1HB ALA 70 7.659 -1.707 -13.189 554 HB2 ALA 70 2HB ALA 70 8.606 -3.040 -12.529 555 HB3 ALA 70 3HB ALA 70 8.717 -2.644 -14.244 556 H ALA 71 H ALA 71 7.955 -5.204 -11.979 557 HA ALA 71 HA ALA 71 9.314 -7.014 -13.617 558 HB1 ALA 71 1HB ALA 71 9.436 -8.453 -11.639 559 HB2 ALA 71 2HB ALA 71 9.803 -6.772 -11.247 560 HB3 ALA 71 3HB ALA 71 8.227 -7.450 -10.838 561 H GLN 72 H GLN 72 6.010 -7.035 -12.403 562 HA GLN 72 HA GLN 72 5.432 -9.689 -13.300 563 HB2 GLN 72 1HB GLN 72 3.700 -7.400 -12.380 564 HB3 GLN 72 2HB GLN 72 3.027 -8.936 -12.910 565 HG2 GLN 72 1HG GLN 72 4.969 -8.583 -10.637 566 HG3 GLN 72 2HG GLN 72 3.225 -8.779 -10.472 567 HE21 GLN 72 1HE2 GLN 72 6.068 -10.355 -10.274 568 HE22 GLN 72 2HE2 GLN 72 5.541 -11.971 -10.586 569 H GLY 73 H GLY 73 5.512 -6.584 -14.776 570 HA2 GLY 73 1HA GLY 73 3.705 -7.244 -16.930 571 HA3 GLY 73 2HA GLY 73 4.699 -5.801 -16.804 572 H LYS 74 H LYS 74 7.204 -6.558 -16.796 573 HA LYS 74 HA LYS 74 7.559 -7.724 -19.427 574 HB2 LYS 74 1HB LYS 74 9.927 -7.062 -19.134 575 HB3 LYS 74 2HB LYS 74 8.814 -5.721 -18.903 576 HG2 LYS 74 1HG LYS 74 9.019 -5.974 -16.476 577 HG3 LYS 74 2HG LYS 74 10.155 -7.303 -16.719 578 HD2 LYS 74 1HD LYS 74 10.643 -4.595 -17.918 579 HD3 LYS 74 2HD LYS 74 11.105 -4.958 -16.253 580 HE2 LYS 74 1HE LYS 74 11.944 -6.712 -18.539 581 HE3 LYS 74 2HE LYS 74 12.864 -5.276 -18.095 582 HZ1 LYS 74 1HZ LYS 74 12.200 -7.067 -15.911 583 HZ2 LYS 74 2HZ LYS 74 13.639 -6.241 -16.236 584 HZ3 LYS 74 3HZ LYS 74 13.290 -7.684 -17.048 585 H ASP 75 H ASP 75 7.904 -9.813 -19.736 586 HA ASP 75 HA ASP 75 9.797 -11.329 -18.308 587 HB2 ASP 75 1HB ASP 75 7.717 -11.108 -16.708 588 HB3 ASP 75 2HB ASP 75 7.049 -12.369 -17.741 589 HA PRO 76 HA PRO 76 9.384 -13.599 -22.061 590 HB2 PRO 76 1HB PRO 76 10.838 -15.787 -21.376 591 HB3 PRO 76 2HB PRO 76 11.573 -14.222 -21.742 592 HG2 PRO 76 1HG PRO 76 10.971 -15.455 -19.082 593 HG3 PRO 76 2HG PRO 76 12.420 -14.577 -19.607 594 HD2 PRO 76 1HD PRO 76 10.476 -13.425 -18.114 595 HD3 PRO 76 2HD PRO 76 11.432 -12.517 -19.303 596 H GLY 77 H GLY 77 7.958 -14.463 -19.149 597 HA2 GLY 77 1HA GLY 77 6.776 -16.912 -20.287 598 HA3 GLY 77 2HA GLY 77 6.826 -16.517 -18.576 599 HA PRO 78 HA PRO 78 3.361 -13.859 -20.729 600 HB2 PRO 78 1HB PRO 78 2.389 -14.953 -23.016 601 HB3 PRO 78 2HB PRO 78 3.705 -13.772 -22.998 602 HG2 PRO 78 1HG PRO 78 3.838 -16.754 -23.224 603 HG3 PRO 78 2HG PRO 78 4.745 -15.523 -24.121 604 HD2 PRO 78 1HD PRO 78 5.806 -16.879 -22.031 605 HD3 PRO 78 2HD PRO 78 6.251 -15.202 -22.406 606 H SER 79 H SER 79 3.300 -17.373 -21.253 607 HA SER 79 HA SER 79 0.602 -17.859 -20.946 608 HB2 SER 79 1HB SER 79 1.921 -19.698 -21.593 609 HB3 SER 79 2HB SER 79 3.028 -19.494 -20.235 610 HG SER 79 HG SER 79 1.738 -20.634 -19.023 611 H GLU 80 H GLU 80 -0.594 -16.927 -19.397 612 HA GLU 80 HA GLU 80 0.394 -16.639 -16.697 613 HB2 GLU 80 1HB GLU 80 -1.732 -15.514 -16.256 614 HB3 GLU 80 2HB GLU 80 -0.964 -14.865 -17.699 615 HG2 GLU 80 1HG GLU 80 -2.474 -16.599 -18.932 616 HG3 GLU 80 2HG GLU 80 -3.420 -16.531 -17.445 617 H LYS 81 H LYS 81 -0.402 -17.651 -14.866 618 HA LYS 81 HA LYS 81 -2.016 -20.066 -15.368 619 HB2 LYS 81 1HB LYS 81 0.336 -19.572 -13.579 620 HB3 LYS 81 2HB LYS 81 -0.838 -20.809 -13.147 621 HG2 LYS 81 1HG LYS 81 -0.390 -22.050 -15.110 622 HG3 LYS 81 2HG LYS 81 0.540 -20.726 -15.816 623 HD2 LYS 81 1HD LYS 81 1.404 -21.898 -13.210 624 HD3 LYS 81 2HD LYS 81 1.758 -22.763 -14.706 625 HE2 LYS 81 1HE LYS 81 2.404 -19.856 -14.502 626 HE3 LYS 81 2HE LYS 81 3.463 -21.031 -13.726 627 HZ1 LYS 81 1HZ LYS 81 3.952 -22.034 -15.770 628 HZ2 LYS 81 2HZ LYS 81 4.030 -20.374 -16.082 629 HZ3 LYS 81 3HZ LYS 81 2.676 -21.263 -16.570 630 H GLN 82 H GLN 82 -3.947 -20.110 -14.435 631 HA GLN 82 HA GLN 82 -4.401 -19.142 -11.785 632 HB2 GLN 82 1HB GLN 82 -6.243 -17.539 -12.555 633 HB3 GLN 82 2HB GLN 82 -4.579 -16.987 -12.700 634 HG2 GLN 82 1HG GLN 82 -4.567 -17.348 -15.038 635 HG3 GLN 82 2HG GLN 82 -6.089 -18.235 -14.977 636 HE21 GLN 82 1HE2 GLN 82 -5.368 -15.889 -16.541 637 HE22 GLN 82 2HE2 GLN 82 -6.504 -14.659 -16.117 638 H LYS 83 H LYS 83 -6.344 -19.869 -10.914 639 HA LYS 83 HA LYS 83 -8.133 -21.374 -12.680 640 HB2 LYS 83 1HB LYS 83 -6.542 -22.451 -10.392 641 HB3 LYS 83 2HB LYS 83 -8.155 -23.093 -10.670 642 HG2 LYS 83 1HG LYS 83 -7.567 -24.111 -12.622 643 HG3 LYS 83 2HG LYS 83 -6.297 -22.939 -12.981 644 HD2 LYS 83 1HD LYS 83 -5.981 -24.724 -10.615 645 HD3 LYS 83 2HD LYS 83 -5.708 -25.390 -12.226 646 HE2 LYS 83 1HE LYS 83 -3.598 -24.659 -11.753 647 HE3 LYS 83 2HE LYS 83 -4.255 -23.200 -12.494 648 HZ1 LYS 83 1HZ LYS 83 -4.493 -23.575 -9.589 649 HZ2 LYS 83 2HZ LYS 83 -4.419 -22.141 -10.482 650 HZ3 LYS 83 3HZ LYS 83 -3.018 -23.059 -10.238 651 HA PRO 84 HA PRO 84 -11.270 -19.407 -10.300 652 HB2 PRO 84 1HB PRO 84 -13.332 -21.093 -10.823 653 HB3 PRO 84 2HB PRO 84 -12.700 -19.949 -12.013 654 HG2 PRO 84 1HG PRO 84 -12.150 -22.877 -11.723 655 HG3 PRO 84 2HG PRO 84 -12.459 -21.937 -13.194 656 HD2 PRO 84 1HD PRO 84 -9.966 -22.660 -12.424 657 HD3 PRO 84 2HD PRO 84 -10.296 -21.150 -13.297 658 H VAL 85 H VAL 85 -10.226 -19.904 -8.245 659 HA VAL 85 HA VAL 85 -11.046 -22.339 -6.886 660 HB VAL 85 HB VAL 85 -9.375 -20.020 -5.905 661 HG11 VAL 85 1HG1 VAL 85 -10.599 -21.308 -4.134 662 HG12 VAL 85 2HG1 VAL 85 -9.696 -22.735 -4.642 663 HG13 VAL 85 3HG1 VAL 85 -8.842 -21.334 -3.993 664 HG21 VAL 85 1HG2 VAL 85 -8.036 -22.565 -6.182 665 HG22 VAL 85 2HG2 VAL 85 -8.729 -22.034 -7.716 666 HG23 VAL 85 3HG2 VAL 85 -7.604 -20.989 -6.846 667 H PHE 86 H PHE 86 -13.251 -22.133 -6.584 668 HA PHE 86 HA PHE 86 -14.069 -20.633 -4.306 669 HB2 PHE 86 1HB PHE 86 -15.601 -19.102 -5.289 670 HB3 PHE 86 2HB PHE 86 -14.081 -18.897 -6.154 671 HD1 PHE 86 1HD PHE 86 -17.521 -20.125 -6.360 672 HD2 PHE 86 2HD PHE 86 -13.865 -19.548 -8.463 673 HE1 PHE 86 1HE PHE 86 -18.688 -20.518 -8.489 674 HE2 PHE 86 2HE PHE 86 -15.027 -19.938 -10.596 675 HZ PHE 86 HZ PHE 86 -17.441 -20.423 -10.612 676 H THR 87 H THR 87 -15.767 -21.601 -3.352 677 HA THR 87 HA THR 87 -16.646 -24.102 -4.034 678 HB THR 87 HB THR 87 -17.041 -23.057 -1.829 679 HG1 THR 87 1HG THR 87 -18.315 -24.777 -1.932 680 HG21 THR 87 1HG2 THR 87 -18.702 -21.450 -1.439 681 HG22 THR 87 2HG2 THR 87 -19.447 -21.706 -3.016 682 HG23 THR 87 3HG2 THR 87 -17.893 -20.881 -2.899 683 H SER 88 H SER 88 -18.126 -24.970 -5.370 684 HA SER 88 HA SER 88 -19.121 -23.562 -7.554 685 HB2 SER 88 1HB SER 88 -20.216 -25.548 -8.183 686 HB3 SER 88 2HB SER 88 -18.841 -26.108 -7.230 687 HG SER 88 HG SER 88 -20.590 -25.859 -5.438 688 H GLY 89 H GLY 89 -20.904 -22.385 -7.931 689 HA2 GLY 89 1HA GLY 89 -22.887 -21.287 -7.568 690 HA3 GLY 89 2HA GLY 89 -23.364 -22.668 -6.589 691 HA PRO 90 HA PRO 90 -21.212 -19.368 -3.730 692 HB2 PRO 90 1HB PRO 90 -21.278 -16.836 -4.708 693 HB3 PRO 90 2HB PRO 90 -19.921 -17.936 -4.980 694 HG2 PRO 90 1HG PRO 90 -22.202 -17.256 -6.795 695 HG3 PRO 90 2HG PRO 90 -20.479 -17.429 -7.180 696 HD2 PRO 90 1HD PRO 90 -22.287 -19.380 -7.685 697 HD3 PRO 90 2HD PRO 90 -20.598 -19.729 -7.260 698 H SER 91 H SER 91 -22.311 -18.200 -2.162 699 HA SER 91 HA SER 91 -25.139 -17.638 -2.766 700 HB2 SER 91 1HB SER 91 -25.656 -18.160 -0.460 701 HB3 SER 91 2HB SER 91 -24.723 -19.491 -1.141 702 HG SER 91 HG SER 91 -22.849 -18.444 -0.168 703 H SER 92 H SER 92 -22.505 -16.619 -0.592 704 HA SER 92 HA SER 92 -23.714 -14.164 0.125 705 HB2 SER 92 1HB SER 92 -21.893 -15.333 1.410 706 HB3 SER 92 2HB SER 92 -20.757 -14.805 0.170 707 HG SER 92 HG SER 92 -20.729 -12.908 1.058 708 H GLY 93 H GLY 93 -24.386 -13.328 -1.937 709 HA2 GLY 93 1HA GLY 93 -22.404 -11.549 -3.064 710 HA3 GLY 93 2HA GLY 93 -22.973 -12.785 -4.177 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.555 8.355 1.165 2 HA2 GLY 1 1HA GLY 1 18.211 10.035 -0.363 3 HA3 GLY 1 2HA GLY 1 16.759 9.146 -0.793 4 H SER 2 H SER 2 14.807 9.583 0.481 5 HA SER 2 HA SER 2 13.238 11.236 0.883 6 HB2 SER 2 1HB SER 2 13.318 11.918 3.161 7 HB3 SER 2 2HB SER 2 14.120 10.349 3.103 8 HG SER 2 HG SER 2 15.094 12.642 3.991 9 H SER 3 H SER 3 15.000 12.205 -1.019 10 HA SER 3 HA SER 3 16.307 14.587 -0.481 11 HB2 SER 3 1HB SER 3 16.349 13.322 -2.653 12 HB3 SER 3 2HB SER 3 14.759 13.995 -3.013 13 HG SER 3 HG SER 3 15.764 16.097 -2.756 14 H GLY 4 H GLY 4 12.903 14.072 -1.361 15 HA2 GLY 4 1HA GLY 4 11.671 15.874 0.199 16 HA3 GLY 4 2HA GLY 4 12.316 16.900 -1.074 17 H SER 5 H SER 5 11.014 13.618 -1.345 18 HA SER 5 HA SER 5 9.242 14.525 -3.461 19 HB2 SER 5 1HB SER 5 10.094 11.834 -2.432 20 HB3 SER 5 2HB SER 5 8.689 11.980 -3.486 21 HG SER 5 HG SER 5 10.017 12.916 -5.052 22 H SER 6 H SER 6 7.635 15.685 -2.438 23 HA SER 6 HA SER 6 6.295 15.048 -0.103 24 HB2 SER 6 1HB SER 6 5.370 16.511 -2.576 25 HB3 SER 6 2HB SER 6 4.367 16.369 -1.132 26 HG SER 6 HG SER 6 6.623 17.897 -1.582 27 H GLY 7 H GLY 7 5.027 14.462 -3.392 28 HA2 GLY 7 1HA GLY 7 4.376 12.057 -3.799 29 HA3 GLY 7 2HA GLY 7 3.518 12.183 -2.270 30 H MET 8 H MET 8 2.040 11.371 -4.307 31 HA MET 8 HA MET 8 0.352 13.701 -4.871 32 HB2 MET 8 1HB MET 8 -0.068 12.879 -7.155 33 HB3 MET 8 2HB MET 8 1.620 13.305 -6.908 34 HG2 MET 8 1HG MET 8 2.024 10.844 -6.455 35 HG3 MET 8 2HG MET 8 0.401 10.571 -7.087 36 HE1 MET 8 1HE MET 8 0.573 9.277 -8.951 37 HE2 MET 8 2HE MET 8 -0.130 10.621 -9.850 38 HE3 MET 8 3HE MET 8 1.242 9.735 -10.518 39 HA PRO 9 HA PRO 9 -2.887 11.105 -3.414 40 HB2 PRO 9 1HB PRO 9 -5.004 12.319 -4.602 41 HB3 PRO 9 2HB PRO 9 -4.142 13.021 -3.228 42 HG2 PRO 9 1HG PRO 9 -3.875 13.635 -6.146 43 HG3 PRO 9 2HG PRO 9 -3.926 14.750 -4.768 44 HD2 PRO 9 1HD PRO 9 -1.612 14.036 -5.979 45 HD3 PRO 9 2HD PRO 9 -1.707 14.405 -4.245 46 H ASN 10 H ASN 10 -4.962 10.015 -4.352 47 HA ASN 10 HA ASN 10 -4.711 9.200 -7.124 48 HB2 ASN 10 1HB ASN 10 -4.761 6.749 -6.430 49 HB3 ASN 10 2HB ASN 10 -3.228 7.590 -6.212 50 HD21 ASN 10 1HD2 ASN 10 -4.926 5.323 -4.859 51 HD22 ASN 10 2HD2 ASN 10 -4.665 5.632 -3.179 52 H ARG 11 H ARG 11 -6.558 8.033 -7.901 53 HA ARG 11 HA ARG 11 -8.783 7.397 -6.279 54 HB2 ARG 11 1HB ARG 11 -8.685 10.009 -6.341 55 HB3 ARG 11 2HB ARG 11 -9.333 9.814 -7.964 56 HG2 ARG 11 1HG ARG 11 -11.201 10.146 -6.603 57 HG3 ARG 11 2HG ARG 11 -11.161 8.406 -6.892 58 HD2 ARG 11 1HD ARG 11 -9.901 9.653 -4.467 59 HD3 ARG 11 2HD ARG 11 -11.603 9.193 -4.504 60 HE ARG 11 HE ARG 11 -9.388 7.456 -4.171 61 HH11 ARG 11 1HH1 ARG 11 -12.531 7.659 -5.653 62 HH12 ARG 11 2HH1 ARG 11 -12.812 5.950 -5.595 63 HH21 ARG 11 1HH2 ARG 11 -9.745 5.205 -4.091 64 HH22 ARG 11 2HH2 ARG 11 -11.226 4.556 -4.706 65 H LYS 12 H LYS 12 -9.501 5.701 -7.374 66 HA LYS 12 HA LYS 12 -10.267 4.375 -9.056 67 HB2 LYS 12 1HB LYS 12 -11.674 6.485 -9.438 68 HB3 LYS 12 2HB LYS 12 -10.560 6.850 -10.748 69 HG2 LYS 12 1HG LYS 12 -11.127 4.662 -11.769 70 HG3 LYS 12 2HG LYS 12 -12.339 4.435 -10.506 71 HD2 LYS 12 1HD LYS 12 -13.350 6.624 -11.248 72 HD3 LYS 12 2HD LYS 12 -12.264 6.561 -12.639 73 HE2 LYS 12 1HE LYS 12 -14.229 4.390 -11.919 74 HE3 LYS 12 2HE LYS 12 -14.559 5.678 -13.076 75 HZ1 LYS 12 1HZ LYS 12 -13.518 4.529 -14.636 76 HZ2 LYS 12 2HZ LYS 12 -13.281 3.257 -13.547 77 HZ3 LYS 12 3HZ LYS 12 -12.102 4.458 -13.712 78 H ALA 13 H ALA 13 -7.515 4.638 -8.830 79 HA ALA 13 HA ALA 13 -6.668 4.439 -11.646 80 HB1 ALA 13 1HB ALA 13 -5.645 6.134 -9.595 81 HB2 ALA 13 2HB ALA 13 -4.400 4.968 -10.049 82 HB3 ALA 13 3HB ALA 13 -5.135 5.998 -11.278 83 H SER 14 H SER 14 -4.461 3.192 -11.721 84 HA SER 14 HA SER 14 -4.939 0.540 -11.114 85 HB2 SER 14 1HB SER 14 -2.326 1.988 -11.573 86 HB3 SER 14 2HB SER 14 -2.447 0.233 -11.443 87 HG SER 14 HG SER 14 -2.704 1.564 -13.609 88 H ARG 15 H ARG 15 -3.299 -0.812 -9.748 89 HA ARG 15 HA ARG 15 -3.800 -0.207 -7.031 90 HB2 ARG 15 1HB ARG 15 -1.860 -2.205 -8.210 91 HB3 ARG 15 2HB ARG 15 -2.420 -2.178 -6.544 92 HG2 ARG 15 1HG ARG 15 -4.670 -2.677 -7.240 93 HG3 ARG 15 2HG ARG 15 -4.202 -2.568 -8.937 94 HD2 ARG 15 1HD ARG 15 -2.731 -4.467 -7.184 95 HD3 ARG 15 2HD ARG 15 -4.367 -4.891 -7.686 96 HE ARG 15 HE ARG 15 -2.039 -5.028 -9.274 97 HH11 ARG 15 1HH1 ARG 15 -5.397 -4.128 -9.443 98 HH12 ARG 15 2HH1 ARG 15 -5.541 -4.480 -11.133 99 HH21 ARG 15 1HH2 ARG 15 -2.215 -5.496 -11.499 100 HH22 ARG 15 2HH2 ARG 15 -3.731 -5.259 -12.302 101 H ASN 16 H ASN 16 -2.732 1.075 -5.685 102 HA ASN 16 HA ASN 16 0.099 1.664 -6.245 103 HB2 ASN 16 1HB ASN 16 -2.160 3.529 -5.623 104 HB3 ASN 16 2HB ASN 16 -0.535 3.940 -5.084 105 HD21 ASN 16 1HD2 ASN 16 -2.070 2.631 -8.006 106 HD22 ASN 16 2HD2 ASN 16 -1.238 3.666 -9.111 107 H ALA 17 H ALA 17 1.076 2.806 -4.198 108 HA ALA 17 HA ALA 17 1.511 1.052 -2.216 109 HB1 ALA 17 1HB ALA 17 1.176 3.905 -1.400 110 HB2 ALA 17 2HB ALA 17 2.439 2.752 -0.967 111 HB3 ALA 17 3HB ALA 17 2.416 3.469 -2.576 112 H TYR 18 H TYR 18 -1.299 3.143 -2.478 113 HA TYR 18 HA TYR 18 -2.337 2.605 0.112 114 HB2 TYR 18 1HB TYR 18 -2.991 4.581 -1.224 115 HB3 TYR 18 2HB TYR 18 -3.801 3.522 -2.372 116 HD1 TYR 18 2HD TYR 18 -3.772 3.672 1.365 117 HD2 TYR 18 1HD TYR 18 -6.086 3.794 -2.204 118 HE1 TYR 18 2HE TYR 18 -5.827 3.796 2.708 119 HE2 TYR 18 1HE TYR 18 -8.148 3.920 -0.870 120 HH TYR 18 HH TYR 18 -8.905 3.308 1.411 121 H TYR 19 H TYR 19 -3.082 1.308 -3.112 122 HA TYR 19 HA TYR 19 -5.115 -0.447 -2.358 123 HB2 TYR 19 1HB TYR 19 -4.732 0.036 -4.685 124 HB3 TYR 19 2HB TYR 19 -3.104 -0.630 -4.608 125 HD1 TYR 19 1HD TYR 19 -2.818 -3.106 -4.258 126 HD2 TYR 19 2HD TYR 19 -6.595 -1.349 -5.126 127 HE1 TYR 19 1HE TYR 19 -3.681 -5.308 -4.933 128 HE2 TYR 19 2HE TYR 19 -7.468 -3.546 -5.802 129 HH TYR 19 HH TYR 19 -5.875 -5.960 -6.702 130 H PHE 20 H PHE 20 -1.610 -0.907 -2.462 131 HA PHE 20 HA PHE 20 -1.573 -3.651 -1.875 132 HB2 PHE 20 1HB PHE 20 0.390 -1.418 -1.688 133 HB3 PHE 20 2HB PHE 20 0.762 -2.910 -0.829 134 HD1 PHE 20 2HD PHE 20 -0.443 -1.815 -4.187 135 HD2 PHE 20 1HD PHE 20 1.986 -4.493 -1.942 136 HE1 PHE 20 2HE PHE 20 0.391 -2.806 -6.278 137 HE2 PHE 20 1HE PHE 20 2.825 -5.488 -4.030 138 HZ PHE 20 HZ PHE 20 2.027 -4.645 -6.202 139 H PHE 21 H PHE 21 -1.605 -0.809 0.219 140 HA PHE 21 HA PHE 21 -1.238 -2.201 2.654 141 HB2 PHE 21 1HB PHE 21 -0.810 0.162 2.585 142 HB3 PHE 21 2HB PHE 21 -2.452 0.497 2.048 143 HD1 PHE 21 1HD PHE 21 -0.423 -0.662 4.903 144 HD2 PHE 21 2HD PHE 21 -4.217 0.749 3.588 145 HE1 PHE 21 1HE PHE 21 -1.126 -0.380 7.245 146 HE2 PHE 21 2HE PHE 21 -4.926 1.034 5.927 147 HZ PHE 21 HZ PHE 21 -3.380 0.470 7.759 148 H VAL 22 H VAL 22 -4.155 -1.003 1.013 149 HA VAL 22 HA VAL 22 -6.006 -1.882 2.935 150 HB VAL 22 HB VAL 22 -6.279 -1.317 -0.009 151 HG11 VAL 22 1HG1 VAL 22 -8.301 -2.399 1.909 152 HG12 VAL 22 2HG1 VAL 22 -8.802 -1.325 0.600 153 HG13 VAL 22 3HG1 VAL 22 -7.995 -2.851 0.231 154 HG21 VAL 22 1HG2 VAL 22 -7.030 0.751 0.599 155 HG22 VAL 22 2HG2 VAL 22 -7.691 0.183 2.132 156 HG23 VAL 22 3HG2 VAL 22 -5.954 0.428 1.958 157 H GLN 23 H GLN 23 -4.682 -3.461 0.058 158 HA GLN 23 HA GLN 23 -6.298 -5.720 0.003 159 HB2 GLN 23 1HB GLN 23 -4.518 -4.969 -1.678 160 HB3 GLN 23 2HB GLN 23 -3.356 -5.781 -0.638 161 HG2 GLN 23 1HG GLN 23 -5.767 -7.192 -1.727 162 HG3 GLN 23 2HG GLN 23 -4.260 -7.072 -2.634 163 HE21 GLN 23 1HE2 GLN 23 -2.326 -7.926 -1.606 164 HE22 GLN 23 2HE2 GLN 23 -2.467 -9.287 -0.551 165 H GLU 24 H GLU 24 -3.282 -5.156 1.784 166 HA GLU 24 HA GLU 24 -3.311 -7.764 2.988 167 HB2 GLU 24 1HB GLU 24 -1.641 -5.294 3.382 168 HB3 GLU 24 2HB GLU 24 -1.489 -6.680 4.455 169 HG2 GLU 24 1HG GLU 24 -1.041 -6.673 1.480 170 HG3 GLU 24 2HG GLU 24 0.200 -6.747 2.728 171 H LYS 25 H LYS 25 -5.404 -5.423 3.399 172 HA LYS 25 HA LYS 25 -5.600 -5.794 6.316 173 HB2 LYS 25 1HB LYS 25 -6.355 -3.418 4.614 174 HB3 LYS 25 2HB LYS 25 -6.909 -3.619 6.272 175 HG2 LYS 25 1HG LYS 25 -3.992 -3.713 5.620 176 HG3 LYS 25 2HG LYS 25 -4.830 -2.171 5.812 177 HD2 LYS 25 1HD LYS 25 -5.315 -2.579 8.056 178 HD3 LYS 25 2HD LYS 25 -5.058 -4.317 7.894 179 HE2 LYS 25 1HE LYS 25 -2.834 -2.335 7.514 180 HE3 LYS 25 2HE LYS 25 -3.263 -2.959 9.106 181 HZ1 LYS 25 1HZ LYS 25 -2.300 -4.907 8.675 182 HZ2 LYS 25 2HZ LYS 25 -1.531 -4.122 7.389 183 HZ3 LYS 25 3HZ LYS 25 -2.945 -5.008 7.115 184 H ILE 26 H ILE 26 -7.086 -6.193 3.268 185 HA ILE 26 HA ILE 26 -9.778 -6.092 3.706 186 HB ILE 26 HB ILE 26 -8.065 -7.823 2.010 187 HG12 ILE 26 1HG1 ILE 26 -10.554 -6.257 1.331 188 HG13 ILE 26 2HG1 ILE 26 -8.960 -5.518 1.420 189 HG21 ILE 26 1HG2 ILE 26 -9.447 -9.578 2.506 190 HG22 ILE 26 2HG2 ILE 26 -10.824 -8.537 2.864 191 HG23 ILE 26 3HG2 ILE 26 -10.352 -8.829 1.190 192 HD11 ILE 26 1HD1 ILE 26 -9.483 -7.881 -0.340 193 HD12 ILE 26 2HD1 ILE 26 -9.833 -6.234 -0.868 194 HD13 ILE 26 3HD1 ILE 26 -8.186 -6.689 -0.435 195 HA PRO 27 HA PRO 27 -9.783 -10.555 5.565 196 HB2 PRO 27 1HB PRO 27 -7.378 -11.628 6.225 197 HB3 PRO 27 2HB PRO 27 -8.114 -11.829 4.631 198 HG2 PRO 27 1HG PRO 27 -5.984 -9.916 5.507 199 HG3 PRO 27 2HG PRO 27 -6.079 -10.881 4.022 200 HD2 PRO 27 1HD PRO 27 -6.727 -8.253 4.096 201 HD3 PRO 27 2HD PRO 27 -7.526 -9.402 3.005 202 H GLU 28 H GLU 28 -7.442 -8.196 6.659 203 HA GLU 28 HA GLU 28 -7.407 -8.986 9.390 204 HB2 GLU 28 1HB GLU 28 -5.590 -7.666 8.545 205 HB3 GLU 28 2HB GLU 28 -6.685 -6.392 8.024 206 HG2 GLU 28 1HG GLU 28 -7.080 -5.674 10.209 207 HG3 GLU 28 2HG GLU 28 -6.453 -7.164 10.908 208 H LEU 29 H LEU 29 -9.567 -7.102 7.460 209 HA LEU 29 HA LEU 29 -10.873 -5.919 9.780 210 HB2 LEU 29 1HB LEU 29 -11.518 -5.718 6.842 211 HB3 LEU 29 2HB LEU 29 -12.313 -4.814 8.129 212 HG LEU 29 HG LEU 29 -9.360 -4.554 7.711 213 HD11 LEU 29 1HD1 LEU 29 -11.074 -4.100 5.638 214 HD12 LEU 29 2HD1 LEU 29 -9.523 -3.292 5.871 215 HD13 LEU 29 3HD1 LEU 29 -11.012 -2.518 6.416 216 HD21 LEU 29 1HD2 LEU 29 -11.495 -2.687 8.738 217 HD22 LEU 29 2HD2 LEU 29 -9.769 -2.334 8.648 218 HD23 LEU 29 3HD2 LEU 29 -10.357 -3.604 9.725 219 H ARG 30 H ARG 30 -11.574 -8.229 7.187 220 HA ARG 30 HA ARG 30 -14.219 -8.787 7.689 221 HB2 ARG 30 1HB ARG 30 -11.938 -10.403 6.645 222 HB3 ARG 30 2HB ARG 30 -13.443 -11.232 7.021 223 HG2 ARG 30 1HG ARG 30 -14.651 -9.792 5.488 224 HG3 ARG 30 2HG ARG 30 -13.172 -8.890 5.148 225 HD2 ARG 30 1HD ARG 30 -12.254 -10.597 3.913 226 HD3 ARG 30 2HD ARG 30 -13.182 -11.842 4.747 227 HE ARG 30 HE ARG 30 -14.774 -10.057 3.142 228 HH11 ARG 30 1HH1 ARG 30 -12.908 -12.995 3.195 229 HH12 ARG 30 2HH1 ARG 30 -13.715 -13.685 1.826 230 HH21 ARG 30 1HH2 ARG 30 -15.844 -10.956 1.340 231 HH22 ARG 30 2HH2 ARG 30 -15.384 -12.524 0.771 232 H ARG 31 H ARG 31 -11.392 -9.814 9.484 233 HA ARG 31 HA ARG 31 -12.786 -11.730 11.094 234 HB2 ARG 31 1HB ARG 31 -10.076 -10.427 11.320 235 HB3 ARG 31 2HB ARG 31 -10.678 -11.569 12.514 236 HG2 ARG 31 1HG ARG 31 -10.459 -12.219 9.588 237 HG3 ARG 31 2HG ARG 31 -9.165 -12.521 10.751 238 HD2 ARG 31 1HD ARG 31 -10.234 -14.550 10.764 239 HD3 ARG 31 2HD ARG 31 -11.068 -13.731 12.084 240 HE ARG 31 HE ARG 31 -12.378 -13.342 9.579 241 HH11 ARG 31 1HH1 ARG 31 -11.951 -15.586 12.207 242 HH12 ARG 31 2HH1 ARG 31 -13.476 -16.369 11.957 243 HH21 ARG 31 1HH2 ARG 31 -14.388 -14.366 9.241 244 HH22 ARG 31 2HH2 ARG 31 -14.862 -15.674 10.270 245 H ARG 32 H ARG 32 -11.904 -8.340 11.402 246 HA ARG 32 HA ARG 32 -12.477 -7.996 14.123 247 HB2 ARG 32 1HB ARG 32 -12.498 -6.120 11.771 248 HB3 ARG 32 2HB ARG 32 -12.935 -5.569 13.383 249 HG2 ARG 32 1HG ARG 32 -10.651 -6.649 14.051 250 HG3 ARG 32 2HG ARG 32 -10.294 -6.458 12.334 251 HD2 ARG 32 1HD ARG 32 -10.946 -4.051 12.557 252 HD3 ARG 32 2HD ARG 32 -11.057 -4.304 14.298 253 HE ARG 32 HE ARG 32 -8.534 -5.151 13.349 254 HH11 ARG 32 1HH1 ARG 32 -10.381 -2.272 14.000 255 HH12 ARG 32 2HH1 ARG 32 -8.988 -1.292 14.314 256 HH21 ARG 32 1HH2 ARG 32 -6.691 -3.871 13.760 257 HH22 ARG 32 2HH2 ARG 32 -6.889 -2.202 14.176 258 H GLY 33 H GLY 33 -14.550 -7.827 11.264 259 HA2 GLY 33 1HA GLY 33 -16.854 -8.710 11.707 260 HA3 GLY 33 2HA GLY 33 -16.876 -7.606 13.073 261 H LEU 34 H LEU 34 -15.634 -6.991 9.820 262 HA LEU 34 HA LEU 34 -17.777 -5.001 9.464 263 HB2 LEU 34 1HB LEU 34 -14.880 -4.762 8.666 264 HB3 LEU 34 2HB LEU 34 -16.141 -3.605 8.253 265 HG LEU 34 HG LEU 34 -15.392 -4.247 11.096 266 HD11 LEU 34 1HD1 LEU 34 -13.394 -3.420 10.074 267 HD12 LEU 34 2HD1 LEU 34 -14.106 -2.118 11.026 268 HD13 LEU 34 3HD1 LEU 34 -14.281 -2.124 9.271 269 HD21 LEU 34 1HD2 LEU 34 -16.873 -1.960 9.802 270 HD22 LEU 34 2HD2 LEU 34 -16.441 -2.053 11.510 271 HD23 LEU 34 3HD2 LEU 34 -17.565 -3.224 10.819 272 HA PRO 35 HA PRO 35 -18.646 -7.057 5.668 273 HB2 PRO 35 1HB PRO 35 -19.928 -5.041 4.378 274 HB3 PRO 35 2HB PRO 35 -20.660 -5.950 5.707 275 HG2 PRO 35 1HG PRO 35 -19.333 -3.267 5.753 276 HG3 PRO 35 2HG PRO 35 -20.825 -3.791 6.553 277 HD2 PRO 35 1HD PRO 35 -18.461 -3.599 7.861 278 HD3 PRO 35 2HD PRO 35 -19.690 -4.809 8.282 279 H VAL 36 H VAL 36 -16.304 -7.110 5.152 280 HA VAL 36 HA VAL 36 -15.686 -5.270 2.936 281 HB VAL 36 HB VAL 36 -13.221 -5.816 3.609 282 HG11 VAL 36 1HG1 VAL 36 -15.102 -3.819 4.764 283 HG12 VAL 36 2HG1 VAL 36 -13.454 -3.893 5.394 284 HG13 VAL 36 3HG1 VAL 36 -13.731 -3.585 3.679 285 HG21 VAL 36 1HG2 VAL 36 -14.446 -7.285 5.548 286 HG22 VAL 36 2HG2 VAL 36 -12.792 -6.680 5.637 287 HG23 VAL 36 3HG2 VAL 36 -14.101 -5.782 6.404 288 H ALA 37 H ALA 37 -15.945 -6.454 1.148 289 HA ALA 37 HA ALA 37 -14.993 -9.232 1.129 290 HB1 ALA 37 1HB ALA 37 -17.377 -8.284 0.316 291 HB2 ALA 37 2HB ALA 37 -16.479 -8.204 -1.199 292 HB3 ALA 37 3HB ALA 37 -16.626 -9.738 -0.343 293 H ARG 38 H ARG 38 -14.550 -6.104 -0.368 294 HA ARG 38 HA ARG 38 -12.161 -7.145 -1.714 295 HB2 ARG 38 1HB ARG 38 -12.650 -5.903 -3.737 296 HB3 ARG 38 2HB ARG 38 -13.978 -7.000 -3.383 297 HG2 ARG 38 1HG ARG 38 -15.167 -5.054 -2.326 298 HG3 ARG 38 2HG ARG 38 -13.898 -4.023 -2.991 299 HD2 ARG 38 1HD ARG 38 -15.702 -3.968 -4.530 300 HD3 ARG 38 2HD ARG 38 -14.451 -4.982 -5.249 301 HE ARG 38 HE ARG 38 -16.045 -6.758 -3.967 302 HH11 ARG 38 1HH1 ARG 38 -16.636 -4.226 -6.281 303 HH12 ARG 38 2HH1 ARG 38 -18.002 -5.017 -6.994 304 HH21 ARG 38 1HH2 ARG 38 -17.843 -7.811 -4.897 305 HH22 ARG 38 2HH2 ARG 38 -18.688 -7.056 -6.206 306 H VAL 39 H VAL 39 -10.862 -5.184 -2.625 307 HA VAL 39 HA VAL 39 -9.980 -3.648 -0.481 308 HB VAL 39 HB VAL 39 -9.684 -3.075 -3.434 309 HG11 VAL 39 1HG1 VAL 39 -7.596 -2.120 -1.636 310 HG12 VAL 39 2HG1 VAL 39 -8.410 -1.297 -2.968 311 HG13 VAL 39 3HG1 VAL 39 -9.156 -1.343 -1.371 312 HG21 VAL 39 1HG2 VAL 39 -7.548 -4.223 -1.694 313 HG22 VAL 39 2HG2 VAL 39 -8.815 -5.278 -2.321 314 HG23 VAL 39 3HG2 VAL 39 -7.784 -4.379 -3.435 315 H ALA 40 H ALA 40 -11.973 -2.610 -3.250 316 HA ALA 40 HA ALA 40 -12.383 0.019 -2.618 317 HB1 ALA 40 1HB ALA 40 -13.241 -1.266 -4.628 318 HB2 ALA 40 2HB ALA 40 -14.611 -1.734 -3.619 319 HB3 ALA 40 3HB ALA 40 -14.315 -0.031 -3.970 320 H ASP 41 H ASP 41 -13.771 -2.793 -1.080 321 HA ASP 41 HA ASP 41 -15.742 -1.317 0.404 322 HB2 ASP 41 1HB ASP 41 -14.776 -4.155 0.397 323 HB3 ASP 41 2HB ASP 41 -15.770 -3.573 1.730 324 H ALA 42 H ALA 42 -12.529 -2.629 1.029 325 HA ALA 42 HA ALA 42 -12.578 -1.702 3.785 326 HB1 ALA 42 1HB ALA 42 -10.412 -2.750 3.996 327 HB2 ALA 42 2HB ALA 42 -11.533 -3.861 3.206 328 HB3 ALA 42 3HB ALA 42 -10.328 -2.997 2.252 329 H ILE 43 H ILE 43 -12.292 -0.122 1.016 330 HA ILE 43 HA ILE 43 -9.886 1.314 1.166 331 HB ILE 43 HB ILE 43 -12.490 1.715 -0.192 332 HG12 ILE 43 1HG1 ILE 43 -9.588 1.832 -1.035 333 HG13 ILE 43 2HG1 ILE 43 -10.713 0.506 -1.309 334 HG21 ILE 43 1HG2 ILE 43 -12.252 3.908 0.705 335 HG22 ILE 43 2HG2 ILE 43 -10.535 3.950 0.304 336 HG23 ILE 43 3HG2 ILE 43 -11.741 3.974 -0.981 337 HD11 ILE 43 1HD1 ILE 43 -10.317 2.975 -2.806 338 HD12 ILE 43 2HD1 ILE 43 -10.986 1.427 -3.319 339 HD13 ILE 43 3HD1 ILE 43 -12.008 2.596 -2.482 340 HA PRO 44 HA PRO 44 -12.331 4.722 3.565 341 HB2 PRO 44 1HB PRO 44 -14.800 4.069 4.486 342 HB3 PRO 44 2HB PRO 44 -14.527 4.777 2.890 343 HG2 PRO 44 1HG PRO 44 -14.966 1.913 3.641 344 HG3 PRO 44 2HG PRO 44 -15.644 2.831 2.283 345 HD2 PRO 44 1HD PRO 44 -13.550 1.137 1.996 346 HD3 PRO 44 2HD PRO 44 -13.733 2.603 1.013 347 H TYR 45 H TYR 45 -13.122 1.421 4.615 348 HA TYR 45 HA TYR 45 -13.042 1.930 7.385 349 HB2 TYR 45 1HB TYR 45 -12.530 -0.641 5.875 350 HB3 TYR 45 2HB TYR 45 -12.792 -0.528 7.612 351 HD1 TYR 45 2HD TYR 45 -15.024 1.126 8.033 352 HD2 TYR 45 1HD TYR 45 -14.346 -1.540 4.788 353 HE1 TYR 45 2HE TYR 45 -17.452 0.946 7.682 354 HE2 TYR 45 1HE TYR 45 -16.771 -1.727 4.427 355 HH TYR 45 HH TYR 45 -18.930 -1.338 6.190 356 H CYS 46 H CYS 46 -10.591 2.077 5.151 357 HA CYS 46 HA CYS 46 -8.550 1.568 7.216 358 HB2 CYS 46 1HB CYS 46 -8.587 0.926 4.295 359 HB3 CYS 46 2HB CYS 46 -7.049 1.295 5.064 360 HG CYS 46 HG CYS 46 -9.167 -1.255 5.913 361 H SER 47 H SER 47 -9.921 3.786 5.005 362 HA SER 47 HA SER 47 -7.922 5.513 4.324 363 HB2 SER 47 1HB SER 47 -10.439 5.686 3.841 364 HB3 SER 47 2HB SER 47 -10.555 6.533 5.383 365 HG SER 47 HG SER 47 -9.460 8.199 4.575 366 H SER 48 H SER 48 -9.125 4.854 7.485 367 HA SER 48 HA SER 48 -7.976 7.242 8.661 368 HB2 SER 48 1HB SER 48 -8.706 6.124 10.826 369 HB3 SER 48 2HB SER 48 -9.997 6.508 9.689 370 HG SER 48 HG SER 48 -8.777 3.981 10.104 371 H ASP 49 H ASP 49 -7.325 3.769 8.562 372 HA ASP 49 HA ASP 49 -5.102 3.830 10.321 373 HB2 ASP 49 1HB ASP 49 -5.749 1.824 8.151 374 HB3 ASP 49 2HB ASP 49 -4.622 1.580 9.481 375 H TRP 50 H TRP 50 -5.415 4.018 6.804 376 HA TRP 50 HA TRP 50 -2.680 3.926 6.178 377 HB2 TRP 50 1HB TRP 50 -4.315 3.622 4.440 378 HB3 TRP 50 2HB TRP 50 -5.000 5.217 4.735 379 HD1 TRP 50 HD TRP 50 -3.966 7.219 3.443 380 HE1 TRP 50 1HE TRP 50 -2.046 7.467 1.746 381 HE3 TRP 50 3HE TRP 50 -1.893 2.565 3.874 382 HZ2 TRP 50 2HZ TRP 50 0.066 5.898 0.725 383 HZ3 TRP 50 3HZ TRP 50 0.075 2.018 2.501 384 HH2 TRP 50 HH TRP 50 1.032 3.652 0.959 385 H ALA 51 H ALA 51 -4.777 6.584 7.127 386 HA ALA 51 HA ALA 51 -3.009 8.697 6.518 387 HB1 ALA 51 1HB ALA 51 -4.871 9.800 7.007 388 HB2 ALA 51 2HB ALA 51 -5.558 8.383 7.803 389 HB3 ALA 51 3HB ALA 51 -4.545 9.501 8.715 390 H LEU 52 H LEU 52 -3.048 6.380 9.057 391 HA LEU 52 HA LEU 52 -1.486 7.935 10.909 392 HB2 LEU 52 1HB LEU 52 -2.147 4.995 10.836 393 HB3 LEU 52 2HB LEU 52 -1.315 5.807 12.161 394 HG LEU 52 HG LEU 52 -4.091 6.567 11.285 395 HD11 LEU 52 1HD1 LEU 52 -5.051 5.004 12.627 396 HD12 LEU 52 2HD1 LEU 52 -3.654 4.898 13.697 397 HD13 LEU 52 3HD1 LEU 52 -3.623 4.098 12.126 398 HD21 LEU 52 1HD2 LEU 52 -2.614 6.972 13.883 399 HD22 LEU 52 2HD2 LEU 52 -4.219 7.579 13.475 400 HD23 LEU 52 3HD2 LEU 52 -2.801 8.192 12.623 401 H LEU 53 H LEU 53 -0.885 5.574 8.399 402 HA LEU 53 HA LEU 53 1.662 4.719 8.969 403 HB2 LEU 53 1HB LEU 53 0.168 5.227 6.453 404 HB3 LEU 53 2HB LEU 53 1.901 4.931 6.334 405 HG LEU 53 HG LEU 53 0.037 3.030 7.736 406 HD11 LEU 53 1HD1 LEU 53 0.379 1.725 5.510 407 HD12 LEU 53 2HD1 LEU 53 0.637 3.330 4.827 408 HD13 LEU 53 3HD1 LEU 53 -0.887 2.947 5.629 409 HD21 LEU 53 1HD2 LEU 53 2.339 1.911 6.425 410 HD22 LEU 53 2HD2 LEU 53 1.872 1.842 8.124 411 HD23 LEU 53 3HD2 LEU 53 2.821 3.203 7.524 412 H ARG 54 H ARG 54 3.753 5.431 8.436 413 HA ARG 54 HA ARG 54 4.022 8.333 8.426 414 HB2 ARG 54 1HB ARG 54 6.226 6.286 8.661 415 HB3 ARG 54 2HB ARG 54 6.285 7.984 9.113 416 HG2 ARG 54 1HG ARG 54 4.363 7.317 10.749 417 HG3 ARG 54 2HG ARG 54 5.010 5.692 10.522 418 HD2 ARG 54 1HD ARG 54 6.825 7.973 11.199 419 HD3 ARG 54 2HD ARG 54 5.905 7.158 12.463 420 HE ARG 54 HE ARG 54 8.248 6.201 11.203 421 HH11 ARG 54 1HH1 ARG 54 5.167 5.132 12.421 422 HH12 ARG 54 2HH1 ARG 54 5.714 3.524 12.768 423 HH21 ARG 54 1HH2 ARG 54 8.981 4.089 11.656 424 HH22 ARG 54 2HH2 ARG 54 7.885 2.933 12.334 425 H GLU 55 H GLU 55 5.620 9.373 7.037 426 HA GLU 55 HA GLU 55 5.201 9.039 4.362 427 HB2 GLU 55 1HB GLU 55 7.728 10.052 5.679 428 HB3 GLU 55 2HB GLU 55 7.298 10.304 3.992 429 HG2 GLU 55 1HG GLU 55 5.464 11.682 4.569 430 HG3 GLU 55 2HG GLU 55 5.578 11.236 6.271 431 H GLU 56 H GLU 56 7.916 7.695 6.229 432 HA GLU 56 HA GLU 56 9.268 6.424 4.177 433 HB2 GLU 56 1HB GLU 56 8.926 5.452 7.020 434 HB3 GLU 56 2HB GLU 56 10.173 4.922 5.900 435 HG2 GLU 56 1HG GLU 56 9.846 7.773 6.795 436 HG3 GLU 56 2HG GLU 56 10.902 6.609 7.592 437 H GLU 57 H GLU 57 6.612 5.176 6.179 438 HA GLU 57 HA GLU 57 6.502 2.600 5.102 439 HB2 GLU 57 1HB GLU 57 4.156 4.220 6.104 440 HB3 GLU 57 2HB GLU 57 4.266 2.467 6.015 441 HG2 GLU 57 1HG GLU 57 6.238 3.997 7.649 442 HG3 GLU 57 2HG GLU 57 4.622 3.681 8.280 443 H LYS 58 H LYS 58 4.500 5.429 4.256 444 HA LYS 58 HA LYS 58 3.047 4.360 2.188 445 HB2 LYS 58 1HB LYS 58 4.203 7.153 2.306 446 HB3 LYS 58 2HB LYS 58 2.849 6.644 1.307 447 HG2 LYS 58 1HG LYS 58 1.739 5.961 3.522 448 HG3 LYS 58 2HG LYS 58 2.974 6.970 4.278 449 HD2 LYS 58 1HD LYS 58 2.154 8.915 3.321 450 HD3 LYS 58 2HD LYS 58 1.336 8.048 2.018 451 HE2 LYS 58 1HE LYS 58 -0.315 7.204 3.584 452 HE3 LYS 58 2HE LYS 58 0.528 7.980 4.925 453 HZ1 LYS 58 1HZ LYS 58 -0.168 9.770 2.775 454 HZ2 LYS 58 2HZ LYS 58 -0.373 9.952 4.444 455 HZ3 LYS 58 3HZ LYS 58 -1.506 9.076 3.543 456 H GLU 59 H GLU 59 6.260 5.871 1.984 457 HA GLU 59 HA GLU 59 6.618 5.644 -0.772 458 HB2 GLU 59 1HB GLU 59 8.072 6.765 1.139 459 HB3 GLU 59 2HB GLU 59 8.953 5.246 1.043 460 HG2 GLU 59 1HG GLU 59 9.898 7.073 -0.345 461 HG3 GLU 59 2HG GLU 59 9.492 5.612 -1.245 462 H LYS 60 H LYS 60 7.619 3.406 1.808 463 HA LYS 60 HA LYS 60 8.835 1.462 0.274 464 HB2 LYS 60 1HB LYS 60 8.988 1.248 2.619 465 HB3 LYS 60 2HB LYS 60 7.242 1.291 2.821 466 HG2 LYS 60 1HG LYS 60 7.148 -0.907 1.613 467 HG3 LYS 60 2HG LYS 60 8.910 -0.953 1.717 468 HD2 LYS 60 1HD LYS 60 8.669 -0.694 4.205 469 HD3 LYS 60 2HD LYS 60 6.932 -0.919 3.991 470 HE2 LYS 60 1HE LYS 60 7.251 -3.120 3.127 471 HE3 LYS 60 2HE LYS 60 8.997 -2.893 3.037 472 HZ1 LYS 60 1HZ LYS 60 9.250 -3.267 5.234 473 HZ2 LYS 60 2HZ LYS 60 7.808 -4.131 5.047 474 HZ3 LYS 60 3HZ LYS 60 7.776 -2.554 5.658 475 H TYR 61 H TYR 61 5.404 1.594 1.227 476 HA TYR 61 HA TYR 61 4.550 -0.682 -0.125 477 HB2 TYR 61 1HB TYR 61 3.202 1.822 0.794 478 HB3 TYR 61 2HB TYR 61 2.314 0.715 -0.248 479 HD1 TYR 61 1HD TYR 61 3.906 1.123 3.043 480 HD2 TYR 61 2HD TYR 61 1.559 -1.419 0.566 481 HE1 TYR 61 1HE TYR 61 3.339 -0.252 5.002 482 HE2 TYR 61 2HE TYR 61 0.984 -2.800 2.519 483 HH TYR 61 HH TYR 61 0.854 -2.445 5.051 484 H ALA 62 H ALA 62 4.824 2.659 -1.260 485 HA ALA 62 HA ALA 62 3.680 2.232 -3.809 486 HB1 ALA 62 1HB ALA 62 5.685 4.318 -3.797 487 HB2 ALA 62 2HB ALA 62 3.936 4.433 -4.005 488 HB3 ALA 62 3HB ALA 62 4.631 4.415 -2.385 489 H GLU 63 H GLU 63 7.014 2.101 -2.628 490 HA GLU 63 HA GLU 63 8.296 1.794 -5.097 491 HB2 GLU 63 1HB GLU 63 9.356 2.234 -2.828 492 HB3 GLU 63 2HB GLU 63 9.199 0.510 -2.522 493 HG2 GLU 63 1HG GLU 63 10.610 0.022 -4.437 494 HG3 GLU 63 2HG GLU 63 10.738 1.742 -4.796 495 H MET 64 H MET 64 7.174 -0.679 -2.794 496 HA MET 64 HA MET 64 7.925 -2.900 -4.354 497 HB2 MET 64 1HB MET 64 6.460 -4.198 -2.893 498 HB3 MET 64 2HB MET 64 7.421 -3.061 -1.957 499 HG2 MET 64 1HG MET 64 5.607 -1.725 -1.463 500 HG3 MET 64 2HG MET 64 4.674 -2.308 -2.839 501 HE1 MET 64 1HE MET 64 6.306 -3.013 0.393 502 HE2 MET 64 2HE MET 64 4.741 -2.813 1.180 503 HE3 MET 64 3HE MET 64 5.493 -4.408 1.103 504 H ALA 65 H ALA 65 5.050 -0.897 -4.317 505 HA ALA 65 HA ALA 65 3.373 -2.572 -5.845 506 HB1 ALA 65 1HB ALA 65 1.911 -0.770 -5.988 507 HB2 ALA 65 2HB ALA 65 2.785 -0.466 -4.486 508 HB3 ALA 65 3HB ALA 65 3.215 0.417 -5.951 509 H ARG 66 H ARG 66 5.207 0.316 -6.872 510 HA ARG 66 HA ARG 66 4.736 0.038 -9.609 511 HB2 ARG 66 1HB ARG 66 6.762 1.472 -9.890 512 HB3 ARG 66 2HB ARG 66 5.590 2.107 -8.743 513 HG2 ARG 66 1HG ARG 66 7.038 0.956 -6.954 514 HG3 ARG 66 2HG ARG 66 8.270 0.888 -8.216 515 HD2 ARG 66 1HD ARG 66 6.876 3.394 -7.283 516 HD3 ARG 66 2HD ARG 66 8.481 2.878 -6.766 517 HE ARG 66 HE ARG 66 8.736 2.947 -9.439 518 HH11 ARG 66 1HH1 ARG 66 7.464 5.241 -7.150 519 HH12 ARG 66 2HH1 ARG 66 7.909 6.625 -8.091 520 HH21 ARG 66 1HH2 ARG 66 9.327 4.762 -10.688 521 HH22 ARG 66 2HH2 ARG 66 8.968 6.352 -10.105 522 H GLU 67 H GLU 67 7.678 -0.867 -7.798 523 HA GLU 67 HA GLU 67 9.057 -2.091 -9.850 524 HB2 GLU 67 1HB GLU 67 8.997 -2.771 -6.908 525 HB3 GLU 67 2HB GLU 67 10.158 -3.451 -8.041 526 HG2 GLU 67 1HG GLU 67 9.849 -0.492 -7.681 527 HG3 GLU 67 2HG GLU 67 10.893 -1.458 -6.639 528 H TRP 68 H TRP 68 6.394 -3.310 -7.945 529 HA TRP 68 HA TRP 68 6.651 -6.037 -8.702 530 HB2 TRP 68 1HB TRP 68 5.390 -5.518 -6.731 531 HB3 TRP 68 2HB TRP 68 4.322 -4.443 -7.628 532 HD1 TRP 68 HD TRP 68 5.138 -8.213 -7.346 533 HE1 TRP 68 1HE TRP 68 3.023 -9.536 -7.979 534 HE3 TRP 68 3HE TRP 68 2.136 -4.320 -8.749 535 HZ2 TRP 68 2HZ TRP 68 0.425 -8.999 -8.947 536 HZ3 TRP 68 3HZ TRP 68 -0.150 -4.810 -9.516 537 HH2 TRP 68 HH TRP 68 -0.986 -7.101 -9.612 538 H ARG 69 H ARG 69 4.487 -3.438 -9.826 539 HA ARG 69 HA ARG 69 3.195 -4.907 -11.823 540 HB2 ARG 69 1HB ARG 69 3.607 -2.016 -11.255 541 HB3 ARG 69 2HB ARG 69 3.054 -2.453 -12.866 542 HG2 ARG 69 1HG ARG 69 1.205 -3.752 -11.751 543 HG3 ARG 69 2HG ARG 69 1.697 -2.986 -10.239 544 HD2 ARG 69 1HD ARG 69 1.133 -1.321 -12.659 545 HD3 ARG 69 2HD ARG 69 -0.197 -1.923 -11.671 546 HE ARG 69 HE ARG 69 0.417 -0.471 -9.988 547 HH11 ARG 69 1HH1 ARG 69 2.847 -0.515 -12.482 548 HH12 ARG 69 2HH1 ARG 69 3.690 0.868 -11.867 549 HH21 ARG 69 1HH2 ARG 69 1.518 1.351 -9.169 550 HH22 ARG 69 2HH2 ARG 69 2.933 1.929 -9.982 551 H ALA 70 H ALA 70 6.130 -2.927 -11.954 552 HA ALA 70 HA ALA 70 6.569 -3.130 -14.725 553 HB1 ALA 70 1HB ALA 70 8.843 -2.935 -12.798 554 HB2 ALA 70 2HB ALA 70 8.611 -2.123 -14.347 555 HB3 ALA 70 3HB ALA 70 7.688 -1.609 -12.935 556 H ALA 71 H ALA 71 7.974 -4.999 -12.033 557 HA ALA 71 HA ALA 71 9.494 -6.754 -13.598 558 HB1 ALA 71 1HB ALA 71 9.220 -6.340 -10.942 559 HB2 ALA 71 2HB ALA 71 8.367 -7.874 -11.122 560 HB3 ALA 71 3HB ALA 71 10.045 -7.731 -11.647 561 H GLN 72 H GLN 72 6.117 -6.834 -12.639 562 HA GLN 72 HA GLN 72 5.653 -9.514 -13.521 563 HB2 GLN 72 1HB GLN 72 3.859 -7.230 -12.741 564 HB3 GLN 72 2HB GLN 72 3.201 -8.725 -13.393 565 HG2 GLN 72 1HG GLN 72 4.832 -8.412 -10.886 566 HG3 GLN 72 2HG GLN 72 3.114 -8.788 -10.997 567 HE21 GLN 72 1HE2 GLN 72 5.660 -10.183 -9.982 568 HE22 GLN 72 2HE2 GLN 72 5.510 -11.785 -10.613 569 H GLY 73 H GLY 73 5.678 -6.391 -15.025 570 HA2 GLY 73 1HA GLY 73 4.166 -7.232 -17.343 571 HA3 GLY 73 2HA GLY 73 4.975 -5.687 -17.126 572 H LYS 74 H LYS 74 7.399 -5.764 -17.234 573 HA LYS 74 HA LYS 74 8.168 -7.058 -19.663 574 HB2 LYS 74 1HB LYS 74 8.967 -4.791 -18.784 575 HB3 LYS 74 2HB LYS 74 10.035 -5.703 -17.725 576 HG2 LYS 74 1HG LYS 74 11.452 -5.347 -19.459 577 HG3 LYS 74 2HG LYS 74 10.717 -6.857 -20.004 578 HD2 LYS 74 1HD LYS 74 9.108 -5.554 -21.346 579 HD3 LYS 74 2HD LYS 74 9.917 -4.069 -20.841 580 HE2 LYS 74 1HE LYS 74 10.823 -4.548 -22.946 581 HE3 LYS 74 2HE LYS 74 12.042 -5.107 -21.802 582 HZ1 LYS 74 1HZ LYS 74 11.846 -6.818 -23.350 583 HZ2 LYS 74 2HZ LYS 74 10.159 -6.720 -23.410 584 HZ3 LYS 74 3HZ LYS 74 10.920 -7.359 -22.042 585 H ASP 75 H ASP 75 9.230 -8.919 -19.966 586 HA ASP 75 HA ASP 75 9.797 -10.572 -17.647 587 HB2 ASP 75 1HB ASP 75 8.595 -11.461 -19.660 588 HB3 ASP 75 2HB ASP 75 10.089 -11.271 -20.574 589 HA PRO 76 HA PRO 76 14.121 -9.731 -17.582 590 HB2 PRO 76 1HB PRO 76 14.940 -11.935 -16.224 591 HB3 PRO 76 2HB PRO 76 14.096 -10.588 -15.450 592 HG2 PRO 76 1HG PRO 76 13.012 -13.219 -16.380 593 HG3 PRO 76 2HG PRO 76 12.676 -12.338 -14.878 594 HD2 PRO 76 1HD PRO 76 10.988 -12.306 -16.994 595 HD3 PRO 76 2HD PRO 76 11.169 -10.922 -15.897 596 H GLY 77 H GLY 77 12.773 -12.595 -19.000 597 HA2 GLY 77 1HA GLY 77 13.465 -13.809 -20.832 598 HA3 GLY 77 2HA GLY 77 14.778 -12.658 -21.031 599 HA PRO 78 HA PRO 78 16.284 -16.860 -19.442 600 HB2 PRO 78 1HB PRO 78 17.594 -17.639 -21.690 601 HB3 PRO 78 2HB PRO 78 15.897 -18.030 -21.382 602 HG2 PRO 78 1HG PRO 78 17.062 -15.857 -23.080 603 HG3 PRO 78 2HG PRO 78 15.696 -16.935 -23.424 604 HD2 PRO 78 1HD PRO 78 15.361 -14.385 -22.576 605 HD3 PRO 78 2HD PRO 78 14.229 -15.687 -22.157 606 H SER 79 H SER 79 17.542 -14.037 -20.935 607 HA SER 79 HA SER 79 20.318 -14.617 -20.615 608 HB2 SER 79 1HB SER 79 18.811 -12.034 -21.047 609 HB3 SER 79 2HB SER 79 20.569 -12.116 -20.942 610 HG SER 79 HG SER 79 19.359 -12.314 -23.105 611 H GLU 80 H GLU 80 21.772 -13.531 -19.138 612 HA GLU 80 HA GLU 80 20.621 -13.366 -16.464 613 HB2 GLU 80 1HB GLU 80 23.502 -13.406 -17.382 614 HB3 GLU 80 2HB GLU 80 22.979 -13.397 -15.704 615 HG2 GLU 80 1HG GLU 80 23.415 -15.625 -16.080 616 HG3 GLU 80 2HG GLU 80 21.674 -15.531 -16.340 617 H LYS 81 H LYS 81 20.538 -11.557 -15.247 618 HA LYS 81 HA LYS 81 22.098 -9.239 -15.687 619 HB2 LYS 81 1HB LYS 81 20.311 -9.315 -17.616 620 HB3 LYS 81 2HB LYS 81 19.230 -8.722 -16.363 621 HG2 LYS 81 1HG LYS 81 21.825 -7.332 -16.742 622 HG3 LYS 81 2HG LYS 81 20.556 -7.085 -17.944 623 HD2 LYS 81 1HD LYS 81 19.087 -6.723 -15.764 624 HD3 LYS 81 2HD LYS 81 20.655 -6.288 -15.081 625 HE2 LYS 81 1HE LYS 81 20.892 -4.454 -16.453 626 HE3 LYS 81 2HE LYS 81 19.833 -5.114 -17.697 627 HZ1 LYS 81 1HZ LYS 81 18.712 -3.329 -16.622 628 HZ2 LYS 81 2HZ LYS 81 19.018 -3.967 -15.086 629 HZ3 LYS 81 3HZ LYS 81 17.958 -4.764 -16.137 630 H GLN 82 H GLN 82 21.801 -7.679 -14.078 631 HA GLN 82 HA GLN 82 21.209 -8.369 -11.571 632 HB2 GLN 82 1HB GLN 82 22.077 -6.150 -12.253 633 HB3 GLN 82 2HB GLN 82 20.452 -5.686 -12.739 634 HG2 GLN 82 1HG GLN 82 19.778 -6.206 -10.331 635 HG3 GLN 82 2HG GLN 82 21.507 -6.192 -9.983 636 HE21 GLN 82 1HE2 GLN 82 19.773 -4.430 -8.776 637 HE22 GLN 82 2HE2 GLN 82 20.095 -2.830 -9.342 638 H LYS 83 H LYS 83 19.523 -9.638 -11.034 639 HA LYS 83 HA LYS 83 16.844 -8.478 -11.312 640 HB2 LYS 83 1HB LYS 83 17.514 -10.410 -12.999 641 HB3 LYS 83 2HB LYS 83 17.140 -11.432 -11.617 642 HG2 LYS 83 1HG LYS 83 15.187 -9.352 -12.490 643 HG3 LYS 83 2HG LYS 83 15.302 -10.880 -13.366 644 HD2 LYS 83 1HD LYS 83 14.967 -10.756 -10.379 645 HD3 LYS 83 2HD LYS 83 13.590 -10.754 -11.484 646 HE2 LYS 83 1HE LYS 83 15.669 -12.851 -11.833 647 HE3 LYS 83 2HE LYS 83 14.568 -12.995 -10.464 648 HZ1 LYS 83 1HZ LYS 83 13.907 -14.093 -12.652 649 HZ2 LYS 83 2HZ LYS 83 13.551 -12.532 -13.197 650 HZ3 LYS 83 3HZ LYS 83 12.735 -13.167 -11.858 651 HA PRO 84 HA PRO 84 16.643 -9.439 -7.009 652 HB2 PRO 84 1HB PRO 84 13.962 -9.175 -6.683 653 HB3 PRO 84 2HB PRO 84 15.047 -7.793 -6.879 654 HG2 PRO 84 1HG PRO 84 13.307 -9.137 -8.910 655 HG3 PRO 84 2HG PRO 84 13.576 -7.406 -8.638 656 HD2 PRO 84 1HD PRO 84 14.813 -8.780 -10.617 657 HD3 PRO 84 2HD PRO 84 15.576 -7.408 -9.785 658 H VAL 85 H VAL 85 14.607 -10.680 -5.703 659 HA VAL 85 HA VAL 85 15.125 -13.399 -6.106 660 HB VAL 85 HB VAL 85 12.796 -12.124 -4.664 661 HG11 VAL 85 1HG1 VAL 85 13.880 -14.879 -4.174 662 HG12 VAL 85 2HG1 VAL 85 12.343 -14.184 -3.653 663 HG13 VAL 85 3HG1 VAL 85 12.601 -14.584 -5.352 664 HG21 VAL 85 1HG2 VAL 85 14.093 -11.979 -2.789 665 HG22 VAL 85 2HG2 VAL 85 15.137 -13.317 -3.270 666 HG23 VAL 85 3HG2 VAL 85 15.333 -11.732 -4.019 667 H PHE 86 H PHE 86 14.646 -14.366 -7.989 668 HA PHE 86 HA PHE 86 12.751 -13.809 -9.843 669 HB2 PHE 86 1HB PHE 86 12.769 -16.271 -10.408 670 HB3 PHE 86 2HB PHE 86 14.357 -15.517 -10.298 671 HD1 PHE 86 2HD PHE 86 15.760 -15.904 -8.280 672 HD2 PHE 86 1HD PHE 86 12.149 -18.043 -8.984 673 HE1 PHE 86 2HE PHE 86 16.457 -17.609 -6.649 674 HE2 PHE 86 1HE PHE 86 12.839 -19.752 -7.353 675 HZ PHE 86 HZ PHE 86 14.996 -19.537 -6.184 676 H THR 87 H THR 87 10.615 -14.271 -10.235 677 HA THR 87 HA THR 87 9.081 -15.255 -7.919 678 HB THR 87 HB THR 87 8.059 -13.450 -10.118 679 HG1 THR 87 1HG THR 87 8.176 -11.868 -8.312 680 HG21 THR 87 1HG2 THR 87 6.637 -13.226 -7.667 681 HG22 THR 87 2HG2 THR 87 6.770 -14.939 -8.064 682 HG23 THR 87 3HG2 THR 87 6.054 -13.819 -9.222 683 H SER 88 H SER 88 9.147 -17.437 -8.522 684 HA SER 88 HA SER 88 8.706 -18.574 -10.974 685 HB2 SER 88 1HB SER 88 9.175 -19.667 -8.653 686 HB3 SER 88 2HB SER 88 7.418 -19.778 -8.541 687 HG SER 88 HG SER 88 9.156 -21.268 -10.005 688 H GLY 89 H GLY 89 6.914 -19.299 -12.135 689 HA2 GLY 89 1HA GLY 89 4.479 -17.752 -11.630 690 HA3 GLY 89 2HA GLY 89 4.904 -18.548 -13.137 691 HA PRO 90 HA PRO 90 2.064 -21.150 -10.264 692 HB2 PRO 90 1HB PRO 90 -0.378 -20.426 -11.202 693 HB3 PRO 90 2HB PRO 90 0.401 -19.625 -9.831 694 HG2 PRO 90 1HG PRO 90 0.261 -18.769 -12.696 695 HG3 PRO 90 2HG PRO 90 0.057 -17.797 -11.228 696 HD2 PRO 90 1HD PRO 90 2.364 -17.828 -12.645 697 HD3 PRO 90 2HD PRO 90 2.328 -17.612 -10.883 698 H SER 91 H SER 91 1.246 -20.156 -13.595 699 HA SER 91 HA SER 91 1.896 -22.650 -14.737 700 HB2 SER 91 1HB SER 91 -0.268 -23.149 -13.412 701 HB3 SER 91 2HB SER 91 -1.082 -22.213 -14.665 702 HG SER 91 HG SER 91 -1.031 -23.968 -15.800 703 H SER 92 H SER 92 0.958 -22.815 -17.031 704 HA SER 92 HA SER 92 0.898 -20.104 -18.176 705 HB2 SER 92 1HB SER 92 2.031 -22.700 -19.189 706 HB3 SER 92 2HB SER 92 1.642 -21.388 -20.303 707 HG SER 92 HG SER 92 2.966 -20.133 -18.594 708 H GLY 93 H GLY 93 -0.285 -19.931 -20.282 709 HA2 GLY 93 1HA GLY 93 -2.174 -21.741 -21.199 710 HA3 GLY 93 2HA GLY 93 -2.966 -20.808 -19.938 Start of MODEL 9 1 H1 GLY 1 H GLY 1 24.232 -6.426 -15.399 2 HA2 GLY 1 1HA GLY 1 25.974 -8.717 -14.927 3 HA3 GLY 1 2HA GLY 1 26.427 -7.215 -14.134 4 H SER 2 H SER 2 23.884 -6.242 -13.489 5 HA SER 2 HA SER 2 22.730 -8.330 -11.781 6 HB2 SER 2 1HB SER 2 23.400 -5.553 -10.785 7 HB3 SER 2 2HB SER 2 22.728 -6.883 -9.842 8 HG SER 2 HG SER 2 24.791 -7.985 -10.643 9 H SER 3 H SER 3 20.592 -8.395 -11.940 10 HA SER 3 HA SER 3 19.154 -6.577 -13.561 11 HB2 SER 3 1HB SER 3 18.572 -9.005 -13.156 12 HB3 SER 3 2HB SER 3 17.964 -8.519 -11.573 13 HG SER 3 HG SER 3 16.328 -7.464 -12.501 14 H GLY 4 H GLY 4 19.290 -4.493 -12.787 15 HA2 GLY 4 1HA GLY 4 17.356 -3.563 -11.047 16 HA3 GLY 4 2HA GLY 4 18.796 -3.797 -10.067 17 H SER 5 H SER 5 17.160 -1.431 -11.313 18 HA SER 5 HA SER 5 19.357 0.362 -11.446 19 HB2 SER 5 1HB SER 5 19.327 0.992 -13.744 20 HB3 SER 5 2HB SER 5 19.439 -0.767 -13.723 21 HG SER 5 HG SER 5 17.042 -0.663 -13.902 22 H SER 6 H SER 6 18.578 2.118 -10.508 23 HA SER 6 HA SER 6 15.991 2.658 -9.846 24 HB2 SER 6 1HB SER 6 18.407 4.360 -10.201 25 HB3 SER 6 2HB SER 6 16.857 5.183 -10.035 26 HG SER 6 HG SER 6 18.024 4.730 -8.029 27 H GLY 7 H GLY 7 17.682 4.133 -12.626 28 HA2 GLY 7 1HA GLY 7 16.859 4.660 -14.723 29 HA3 GLY 7 2HA GLY 7 15.330 3.922 -14.268 30 H MET 8 H MET 8 13.751 5.350 -14.524 31 HA MET 8 HA MET 8 14.168 8.073 -13.483 32 HB2 MET 8 1HB MET 8 14.123 7.855 -16.030 33 HB3 MET 8 2HB MET 8 12.421 7.449 -15.858 34 HG2 MET 8 1HG MET 8 13.631 9.983 -14.790 35 HG3 MET 8 2HG MET 8 12.919 9.842 -16.395 36 HE1 MET 8 1HE MET 8 10.556 9.497 -16.942 37 HE2 MET 8 2HE MET 8 9.285 10.196 -15.940 38 HE3 MET 8 3HE MET 8 10.630 11.199 -16.485 39 HA PRO 9 HA PRO 9 10.622 7.162 -11.010 40 HB2 PRO 9 1HB PRO 9 10.085 9.696 -10.196 41 HB3 PRO 9 2HB PRO 9 11.431 8.745 -9.554 42 HG2 PRO 9 1HG PRO 9 11.447 10.867 -11.667 43 HG3 PRO 9 2HG PRO 9 12.584 10.609 -10.331 44 HD2 PRO 9 1HD PRO 9 13.116 9.830 -12.869 45 HD3 PRO 9 2HD PRO 9 13.719 8.946 -11.453 46 H ASN 10 H ASN 10 8.972 6.523 -12.337 47 HA ASN 10 HA ASN 10 6.890 8.350 -12.880 48 HB2 ASN 10 1HB ASN 10 8.044 9.169 -14.750 49 HB3 ASN 10 2HB ASN 10 8.674 7.581 -15.174 50 HD21 ASN 10 1HD2 ASN 10 6.505 9.881 -16.015 51 HD22 ASN 10 2HD2 ASN 10 5.384 8.916 -16.907 52 H ARG 11 H ARG 11 5.117 7.178 -12.617 53 HA ARG 11 HA ARG 11 4.926 4.531 -13.826 54 HB2 ARG 11 1HB ARG 11 4.026 3.570 -11.709 55 HB3 ARG 11 2HB ARG 11 5.731 3.996 -11.623 56 HG2 ARG 11 1HG ARG 11 3.737 6.003 -10.719 57 HG3 ARG 11 2HG ARG 11 4.052 4.604 -9.691 58 HD2 ARG 11 1HD ARG 11 5.645 6.020 -8.885 59 HD3 ARG 11 2HD ARG 11 6.565 5.268 -10.187 60 HE ARG 11 HE ARG 11 6.745 7.341 -11.098 61 HH11 ARG 11 1HH1 ARG 11 3.791 7.217 -9.258 62 HH12 ARG 11 2HH1 ARG 11 3.360 8.862 -9.594 63 HH21 ARG 11 1HH2 ARG 11 6.188 9.507 -11.547 64 HH22 ARG 11 2HH2 ARG 11 4.723 10.162 -10.897 65 H LYS 12 H LYS 12 2.994 4.228 -14.732 66 HA LYS 12 HA LYS 12 0.788 6.002 -13.911 67 HB2 LYS 12 1HB LYS 12 1.690 6.420 -16.200 68 HB3 LYS 12 2HB LYS 12 1.239 4.778 -16.638 69 HG2 LYS 12 1HG LYS 12 -1.066 5.252 -16.425 70 HG3 LYS 12 2HG LYS 12 -0.746 6.794 -15.626 71 HD2 LYS 12 1HD LYS 12 0.547 7.290 -17.876 72 HD3 LYS 12 2HD LYS 12 -0.556 6.064 -18.507 73 HE2 LYS 12 1HE LYS 12 -2.452 7.337 -17.966 74 HE3 LYS 12 2HE LYS 12 -1.541 8.391 -16.885 75 HZ1 LYS 12 1HZ LYS 12 -0.460 9.395 -18.735 76 HZ2 LYS 12 2HZ LYS 12 -2.121 9.408 -19.055 77 HZ3 LYS 12 3HZ LYS 12 -1.121 8.278 -19.821 78 H ALA 13 H ALA 13 -0.172 4.629 -12.439 79 HA ALA 13 HA ALA 13 -1.783 2.524 -13.574 80 HB1 ALA 13 1HB ALA 13 0.028 1.739 -11.311 81 HB2 ALA 13 2HB ALA 13 -0.974 0.703 -12.328 82 HB3 ALA 13 3HB ALA 13 0.461 1.476 -12.999 83 H SER 14 H SER 14 -3.278 1.584 -11.926 84 HA SER 14 HA SER 14 -4.258 3.717 -10.230 85 HB2 SER 14 1HB SER 14 -5.820 2.413 -11.635 86 HB3 SER 14 2HB SER 14 -5.398 0.957 -10.735 87 HG SER 14 HG SER 14 -6.056 2.506 -8.861 88 H ARG 15 H ARG 15 -3.349 0.300 -9.794 89 HA ARG 15 HA ARG 15 -3.592 0.273 -6.995 90 HB2 ARG 15 1HB ARG 15 -1.846 -1.419 -8.795 91 HB3 ARG 15 2HB ARG 15 -2.179 -1.763 -7.102 92 HG2 ARG 15 1HG ARG 15 -4.510 -2.099 -7.572 93 HG3 ARG 15 2HG ARG 15 -4.284 -1.589 -9.246 94 HD2 ARG 15 1HD ARG 15 -2.730 -3.504 -9.556 95 HD3 ARG 15 2HD ARG 15 -3.125 -4.038 -7.923 96 HE ARG 15 HE ARG 15 -5.544 -3.833 -9.140 97 HH11 ARG 15 1HH1 ARG 15 -2.577 -5.483 -9.908 98 HH12 ARG 15 2HH1 ARG 15 -3.362 -6.779 -10.749 99 HH21 ARG 15 1HH2 ARG 15 -6.590 -5.533 -10.243 100 HH22 ARG 15 2HH2 ARG 15 -5.645 -6.806 -10.939 101 H ASN 16 H ASN 16 -2.544 1.671 -5.727 102 HA ASN 16 HA ASN 16 0.360 1.980 -6.124 103 HB2 ASN 16 1HB ASN 16 -1.202 4.017 -6.599 104 HB3 ASN 16 2HB ASN 16 -1.306 4.125 -4.843 105 HD21 ASN 16 1HD2 ASN 16 1.040 3.910 -7.481 106 HD22 ASN 16 2HD2 ASN 16 2.233 4.912 -6.734 107 H ALA 17 H ALA 17 1.214 3.124 -3.930 108 HA ALA 17 HA ALA 17 1.538 1.270 -2.020 109 HB1 ALA 17 1HB ALA 17 2.716 3.370 -1.944 110 HB2 ALA 17 2HB ALA 17 1.229 4.231 -1.544 111 HB3 ALA 17 3HB ALA 17 1.925 3.092 -0.392 112 H TYR 18 H TYR 18 -1.160 3.579 -2.100 113 HA TYR 18 HA TYR 18 -2.394 2.817 0.285 114 HB2 TYR 18 1HB TYR 18 -2.957 4.831 -1.110 115 HB3 TYR 18 2HB TYR 18 -3.811 3.759 -2.213 116 HD1 TYR 18 2HD TYR 18 -3.690 4.511 1.450 117 HD2 TYR 18 1HD TYR 18 -6.090 3.564 -1.933 118 HE1 TYR 18 2HE TYR 18 -5.712 4.706 2.837 119 HE2 TYR 18 1HE TYR 18 -8.119 3.757 -0.556 120 HH TYR 18 HH TYR 18 -8.896 3.893 1.568 121 H TYR 19 H TYR 19 -3.053 1.703 -3.033 122 HA TYR 19 HA TYR 19 -5.069 -0.109 -2.477 123 HB2 TYR 19 1HB TYR 19 -4.414 0.524 -4.756 124 HB3 TYR 19 2HB TYR 19 -2.897 -0.349 -4.571 125 HD1 TYR 19 1HD TYR 19 -2.961 -2.852 -4.300 126 HD2 TYR 19 2HD TYR 19 -6.389 -0.592 -5.410 127 HE1 TYR 19 1HE TYR 19 -4.034 -4.901 -5.135 128 HE2 TYR 19 2HE TYR 19 -7.473 -2.634 -6.248 129 HH TYR 19 HH TYR 19 -5.754 -5.622 -6.575 130 H PHE 20 H PHE 20 -1.560 -0.603 -2.419 131 HA PHE 20 HA PHE 20 -1.633 -3.362 -1.838 132 HB2 PHE 20 1HB PHE 20 0.414 -1.209 -1.704 133 HB3 PHE 20 2HB PHE 20 0.729 -2.679 -0.788 134 HD1 PHE 20 2HD PHE 20 -0.447 -1.685 -4.189 135 HD2 PHE 20 1HD PHE 20 1.919 -4.329 -1.838 136 HE1 PHE 20 2HE PHE 20 0.355 -2.782 -6.239 137 HE2 PHE 20 1HE PHE 20 2.727 -5.431 -3.885 138 HZ PHE 20 HZ PHE 20 1.944 -4.658 -6.088 139 H PHE 21 H PHE 21 -1.813 -0.503 0.169 140 HA PHE 21 HA PHE 21 -1.381 -1.826 2.652 141 HB2 PHE 21 1HB PHE 21 -0.996 0.536 2.552 142 HB3 PHE 21 2HB PHE 21 -2.626 0.835 1.958 143 HD1 PHE 21 1HD PHE 21 -0.838 -0.590 4.896 144 HD2 PHE 21 2HD PHE 21 -4.269 1.468 3.444 145 HE1 PHE 21 1HE PHE 21 -1.613 -0.261 7.208 146 HE2 PHE 21 2HE PHE 21 -5.050 1.802 5.753 147 HZ PHE 21 HZ PHE 21 -3.722 0.938 7.638 148 H VAL 22 H VAL 22 -4.264 -0.896 0.828 149 HA VAL 22 HA VAL 22 -6.108 -1.793 2.816 150 HB VAL 22 HB VAL 22 -6.575 -1.293 -0.127 151 HG11 VAL 22 1HG1 VAL 22 -8.499 -2.365 0.374 152 HG12 VAL 22 2HG1 VAL 22 -8.334 -2.080 2.108 153 HG13 VAL 22 3HG1 VAL 22 -8.938 -0.799 1.057 154 HG21 VAL 22 1HG2 VAL 22 -7.362 0.595 2.046 155 HG22 VAL 22 2HG2 VAL 22 -5.700 0.593 1.458 156 HG23 VAL 22 3HG2 VAL 22 -7.029 0.915 0.345 157 H GLN 23 H GLN 23 -4.662 -3.213 -0.062 158 HA GLN 23 HA GLN 23 -6.282 -5.493 -0.255 159 HB2 GLN 23 1HB GLN 23 -4.549 -4.604 -1.921 160 HB3 GLN 23 2HB GLN 23 -3.352 -5.451 -0.949 161 HG2 GLN 23 1HG GLN 23 -4.691 -7.542 -1.306 162 HG3 GLN 23 2HG GLN 23 -5.655 -6.635 -2.471 163 HE21 GLN 23 1HE2 GLN 23 -4.168 -8.934 -3.084 164 HE22 GLN 23 2HE2 GLN 23 -2.915 -8.490 -4.188 165 H GLU 24 H GLU 24 -3.300 -4.901 1.558 166 HA GLU 24 HA GLU 24 -3.191 -7.583 2.591 167 HB2 GLU 24 1HB GLU 24 -1.630 -5.067 3.046 168 HB3 GLU 24 2HB GLU 24 -1.464 -6.407 4.170 169 HG2 GLU 24 1HG GLU 24 -0.924 -6.479 1.211 170 HG3 GLU 24 2HG GLU 24 0.278 -6.482 2.500 171 H LYS 25 H LYS 25 -5.256 -5.148 3.203 172 HA LYS 25 HA LYS 25 -5.473 -5.767 6.073 173 HB2 LYS 25 1HB LYS 25 -6.402 -3.374 4.484 174 HB3 LYS 25 2HB LYS 25 -6.897 -3.674 6.145 175 HG2 LYS 25 1HG LYS 25 -3.993 -3.613 5.474 176 HG3 LYS 25 2HG LYS 25 -4.888 -2.098 5.625 177 HD2 LYS 25 1HD LYS 25 -5.172 -4.151 7.767 178 HD3 LYS 25 2HD LYS 25 -3.692 -3.191 7.703 179 HE2 LYS 25 1HE LYS 25 -4.991 -1.880 9.065 180 HE3 LYS 25 2HE LYS 25 -5.372 -1.189 7.488 181 HZ1 LYS 25 1HZ LYS 25 -7.151 -2.211 9.326 182 HZ2 LYS 25 2HZ LYS 25 -7.101 -3.358 8.084 183 HZ3 LYS 25 3HZ LYS 25 -7.488 -1.749 7.733 184 H ILE 26 H ILE 26 -7.007 -6.029 3.010 185 HA ILE 26 HA ILE 26 -9.672 -6.127 3.439 186 HB ILE 26 HB ILE 26 -7.866 -7.743 1.732 187 HG12 ILE 26 1HG1 ILE 26 -10.446 -6.325 1.063 188 HG13 ILE 26 2HG1 ILE 26 -8.899 -5.490 1.166 189 HG21 ILE 26 1HG2 ILE 26 -9.277 -9.508 2.502 190 HG22 ILE 26 2HG2 ILE 26 -10.720 -8.520 2.290 191 HG23 ILE 26 3HG2 ILE 26 -9.810 -9.064 0.881 192 HD11 ILE 26 1HD1 ILE 26 -9.728 -6.238 -1.133 193 HD12 ILE 26 2HD1 ILE 26 -8.053 -6.585 -0.702 194 HD13 ILE 26 3HD1 ILE 26 -9.267 -7.861 -0.621 195 HA PRO 27 HA PRO 27 -9.498 -10.607 5.242 196 HB2 PRO 27 1HB PRO 27 -7.053 -11.601 5.880 197 HB3 PRO 27 2HB PRO 27 -7.787 -11.805 4.285 198 HG2 PRO 27 1HG PRO 27 -5.726 -9.828 5.181 199 HG3 PRO 27 2HG PRO 27 -5.792 -10.774 3.684 200 HD2 PRO 27 1HD PRO 27 -6.534 -8.173 3.798 201 HD3 PRO 27 2HD PRO 27 -7.295 -9.335 2.693 202 H GLU 28 H GLU 28 -7.258 -8.168 6.363 203 HA GLU 28 HA GLU 28 -7.156 -8.994 9.078 204 HB2 GLU 28 1HB GLU 28 -5.519 -7.457 7.934 205 HB3 GLU 28 2HB GLU 28 -6.743 -6.199 8.015 206 HG2 GLU 28 1HG GLU 28 -6.726 -6.277 10.425 207 HG3 GLU 28 2HG GLU 28 -5.596 -7.631 10.400 208 H LEU 29 H LEU 29 -9.180 -6.708 7.296 209 HA LEU 29 HA LEU 29 -10.590 -5.794 9.607 210 HB2 LEU 29 1HB LEU 29 -11.268 -5.610 6.676 211 HB3 LEU 29 2HB LEU 29 -12.133 -4.775 7.966 212 HG LEU 29 HG LEU 29 -9.201 -4.324 7.507 213 HD11 LEU 29 1HD1 LEU 29 -11.217 -3.752 5.634 214 HD12 LEU 29 2HD1 LEU 29 -9.548 -3.187 5.639 215 HD13 LEU 29 3HD1 LEU 29 -10.806 -2.225 6.414 216 HD21 LEU 29 1HD2 LEU 29 -9.406 -2.663 9.006 217 HD22 LEU 29 2HD2 LEU 29 -10.848 -3.542 9.516 218 HD23 LEU 29 3HD2 LEU 29 -10.992 -2.178 8.406 219 H ARG 30 H ARG 30 -11.190 -8.209 7.104 220 HA ARG 30 HA ARG 30 -13.824 -8.845 7.610 221 HB2 ARG 30 1HB ARG 30 -11.486 -10.493 6.701 222 HB3 ARG 30 2HB ARG 30 -13.059 -11.239 6.948 223 HG2 ARG 30 1HG ARG 30 -14.058 -9.851 5.284 224 HG3 ARG 30 2HG ARG 30 -12.591 -8.879 5.143 225 HD2 ARG 30 1HD ARG 30 -12.733 -10.423 3.288 226 HD3 ARG 30 2HD ARG 30 -11.384 -10.866 4.332 227 HE ARG 30 HE ARG 30 -13.785 -12.273 4.986 228 HH11 ARG 30 1HH1 ARG 30 -11.051 -12.204 2.832 229 HH12 ARG 30 2HH1 ARG 30 -11.106 -13.904 2.499 230 HH21 ARG 30 1HH2 ARG 30 -13.867 -14.511 4.555 231 HH22 ARG 30 2HH2 ARG 30 -12.708 -15.214 3.479 232 H ARG 31 H ARG 31 -10.925 -9.981 9.291 233 HA ARG 31 HA ARG 31 -12.211 -11.834 10.978 234 HB2 ARG 31 1HB ARG 31 -9.590 -10.401 11.023 235 HB3 ARG 31 2HB ARG 31 -10.114 -11.252 12.470 236 HG2 ARG 31 1HG ARG 31 -10.467 -13.262 10.909 237 HG3 ARG 31 2HG ARG 31 -9.469 -12.361 9.767 238 HD2 ARG 31 1HD ARG 31 -7.890 -12.128 11.867 239 HD3 ARG 31 2HD ARG 31 -8.742 -13.582 12.383 240 HE ARG 31 HE ARG 31 -8.004 -14.199 9.870 241 HH11 ARG 31 1HH1 ARG 31 -6.254 -12.919 12.594 242 HH12 ARG 31 2HH1 ARG 31 -4.750 -13.646 12.136 243 HH21 ARG 31 1HH2 ARG 31 -6.029 -15.161 9.256 244 HH22 ARG 31 2HH2 ARG 31 -4.622 -14.920 10.235 245 H ARG 32 H ARG 32 -11.536 -8.388 11.312 246 HA ARG 32 HA ARG 32 -12.229 -8.072 13.999 247 HB2 ARG 32 1HB ARG 32 -12.360 -6.197 11.645 248 HB3 ARG 32 2HB ARG 32 -12.807 -5.687 13.267 249 HG2 ARG 32 1HG ARG 32 -10.428 -6.701 13.840 250 HG3 ARG 32 2HG ARG 32 -10.142 -6.320 12.140 251 HD2 ARG 32 1HD ARG 32 -11.089 -4.404 14.269 252 HD3 ARG 32 2HD ARG 32 -9.474 -4.464 13.565 253 HE ARG 32 HE ARG 32 -11.152 -4.117 11.434 254 HH11 ARG 32 1HH1 ARG 32 -10.539 -2.415 14.408 255 HH12 ARG 32 2HH1 ARG 32 -10.944 -0.862 13.755 256 HH21 ARG 32 1HH2 ARG 32 -11.688 -2.078 10.563 257 HH22 ARG 32 2HH2 ARG 32 -11.599 -0.672 11.569 258 H GLY 33 H GLY 33 -14.235 -8.016 11.081 259 HA2 GLY 33 1HA GLY 33 -16.482 -9.057 11.436 260 HA3 GLY 33 2HA GLY 33 -16.615 -8.003 12.834 261 H LEU 34 H LEU 34 -15.170 -6.938 9.840 262 HA LEU 34 HA LEU 34 -17.449 -5.114 9.469 263 HB2 LEU 34 1HB LEU 34 -14.550 -4.857 8.700 264 HB3 LEU 34 2HB LEU 34 -15.803 -3.747 8.150 265 HG LEU 34 HG LEU 34 -15.164 -4.206 11.058 266 HD11 LEU 34 1HD1 LEU 34 -13.482 -3.013 9.200 267 HD12 LEU 34 2HD1 LEU 34 -13.423 -2.830 10.953 268 HD13 LEU 34 3HD1 LEU 34 -14.314 -1.665 9.974 269 HD21 LEU 34 1HD2 LEU 34 -16.232 -1.861 11.111 270 HD22 LEU 34 2HD2 LEU 34 -17.285 -3.264 10.927 271 HD23 LEU 34 3HD2 LEU 34 -16.869 -2.281 9.522 272 HA PRO 35 HA PRO 35 -18.429 -7.081 5.655 273 HB2 PRO 35 1HB PRO 35 -19.716 -5.029 4.428 274 HB3 PRO 35 2HB PRO 35 -20.428 -5.950 5.758 275 HG2 PRO 35 1HG PRO 35 -19.066 -3.284 5.815 276 HG3 PRO 35 2HG PRO 35 -20.546 -3.803 6.642 277 HD2 PRO 35 1HD PRO 35 -18.149 -3.660 7.896 278 HD3 PRO 35 2HD PRO 35 -19.383 -4.862 8.326 279 H VAL 36 H VAL 36 -16.213 -7.268 4.935 280 HA VAL 36 HA VAL 36 -15.556 -5.317 2.829 281 HB VAL 36 HB VAL 36 -13.104 -6.081 3.356 282 HG11 VAL 36 1HG1 VAL 36 -13.304 -4.248 5.352 283 HG12 VAL 36 2HG1 VAL 36 -13.245 -3.855 3.633 284 HG13 VAL 36 3HG1 VAL 36 -14.798 -3.956 4.463 285 HG21 VAL 36 1HG2 VAL 36 -12.626 -6.894 5.436 286 HG22 VAL 36 2HG2 VAL 36 -14.065 -6.183 6.168 287 HG23 VAL 36 3HG2 VAL 36 -14.204 -7.643 5.187 288 H ALA 37 H ALA 37 -15.781 -6.293 0.932 289 HA ALA 37 HA ALA 37 -15.174 -9.160 0.717 290 HB1 ALA 37 1HB ALA 37 -16.357 -8.759 -1.585 291 HB2 ALA 37 2HB ALA 37 -17.304 -8.923 -0.106 292 HB3 ALA 37 3HB ALA 37 -16.985 -7.324 -0.777 293 H ARG 38 H ARG 38 -14.438 -6.011 -0.685 294 HA ARG 38 HA ARG 38 -12.026 -7.170 -1.876 295 HB2 ARG 38 1HB ARG 38 -12.356 -6.031 -3.973 296 HB3 ARG 38 2HB ARG 38 -13.773 -7.018 -3.642 297 HG2 ARG 38 1HG ARG 38 -15.123 -5.196 -3.260 298 HG3 ARG 38 2HG ARG 38 -13.768 -4.149 -2.835 299 HD2 ARG 38 1HD ARG 38 -13.246 -3.708 -5.022 300 HD3 ARG 38 2HD ARG 38 -13.907 -5.237 -5.599 301 HE ARG 38 HE ARG 38 -15.264 -2.762 -5.465 302 HH11 ARG 38 1HH1 ARG 38 -15.744 -6.172 -4.954 303 HH12 ARG 38 2HH1 ARG 38 -17.440 -6.119 -5.306 304 HH21 ARG 38 1HH2 ARG 38 -17.496 -2.680 -5.931 305 HH22 ARG 38 2HH2 ARG 38 -18.435 -4.133 -5.863 306 H VAL 39 H VAL 39 -10.831 -5.083 -2.975 307 HA VAL 39 HA VAL 39 -9.840 -3.600 -0.828 308 HB VAL 39 HB VAL 39 -9.695 -3.089 -3.796 309 HG11 VAL 39 1HG1 VAL 39 -8.375 -1.602 -1.534 310 HG12 VAL 39 2HG1 VAL 39 -7.818 -1.530 -3.207 311 HG13 VAL 39 3HG1 VAL 39 -9.430 -0.949 -2.787 312 HG21 VAL 39 1HG2 VAL 39 -8.485 -5.001 -2.263 313 HG22 VAL 39 2HG2 VAL 39 -7.873 -4.396 -3.802 314 HG23 VAL 39 3HG2 VAL 39 -7.269 -3.723 -2.289 315 H ALA 40 H ALA 40 -12.029 -2.558 -3.441 316 HA ALA 40 HA ALA 40 -12.447 0.053 -2.731 317 HB1 ALA 40 1HB ALA 40 -14.441 -1.925 -3.823 318 HB2 ALA 40 2HB ALA 40 -14.704 -0.181 -3.753 319 HB3 ALA 40 3HB ALA 40 -13.399 -0.838 -4.742 320 H ASP 41 H ASP 41 -13.738 -2.825 -1.211 321 HA ASP 41 HA ASP 41 -15.631 -1.427 0.427 322 HB2 ASP 41 1HB ASP 41 -14.556 -4.241 0.417 323 HB3 ASP 41 2HB ASP 41 -15.638 -3.671 1.685 324 H ALA 42 H ALA 42 -12.382 -2.749 0.891 325 HA ALA 42 HA ALA 42 -12.297 -1.826 3.642 326 HB1 ALA 42 1HB ALA 42 -10.181 -3.161 1.957 327 HB2 ALA 42 2HB ALA 42 -10.061 -2.825 3.685 328 HB3 ALA 42 3HB ALA 42 -11.270 -3.962 3.090 329 H ILE 43 H ILE 43 -12.198 -0.189 0.919 330 HA ILE 43 HA ILE 43 -9.768 1.251 0.987 331 HB ILE 43 HB ILE 43 -12.397 1.602 -0.338 332 HG12 ILE 43 1HG1 ILE 43 -9.511 1.770 -1.227 333 HG13 ILE 43 2HG1 ILE 43 -10.605 0.413 -1.464 334 HG21 ILE 43 1HG2 ILE 43 -10.466 3.873 0.094 335 HG22 ILE 43 2HG2 ILE 43 -11.716 3.865 -1.149 336 HG23 ILE 43 3HG2 ILE 43 -12.167 3.805 0.554 337 HD11 ILE 43 1HD1 ILE 43 -10.857 1.321 -3.496 338 HD12 ILE 43 2HD1 ILE 43 -11.998 2.381 -2.668 339 HD13 ILE 43 3HD1 ILE 43 -10.345 2.921 -2.962 340 HA PRO 44 HA PRO 44 -12.229 4.643 3.393 341 HB2 PRO 44 1HB PRO 44 -14.678 3.963 4.349 342 HB3 PRO 44 2HB PRO 44 -14.434 4.664 2.745 343 HG2 PRO 44 1HG PRO 44 -14.825 1.800 3.521 344 HG3 PRO 44 2HG PRO 44 -15.532 2.697 2.166 345 HD2 PRO 44 1HD PRO 44 -13.420 1.030 1.865 346 HD3 PRO 44 2HD PRO 44 -13.635 2.487 0.874 347 H TYR 45 H TYR 45 -13.137 1.390 4.536 348 HA TYR 45 HA TYR 45 -13.002 1.887 7.271 349 HB2 TYR 45 1HB TYR 45 -12.326 -0.685 5.826 350 HB3 TYR 45 2HB TYR 45 -12.720 -0.539 7.535 351 HD1 TYR 45 2HD TYR 45 -15.037 1.072 7.712 352 HD2 TYR 45 1HD TYR 45 -14.024 -1.721 4.668 353 HE1 TYR 45 2HE TYR 45 -17.423 0.784 7.191 354 HE2 TYR 45 1HE TYR 45 -16.407 -2.016 4.137 355 HH TYR 45 HH TYR 45 -18.516 -1.613 4.848 356 H CYS 46 H CYS 46 -10.511 1.912 4.997 357 HA CYS 46 HA CYS 46 -8.471 1.494 7.077 358 HB2 CYS 46 1HB CYS 46 -8.410 1.137 4.091 359 HB3 CYS 46 2HB CYS 46 -6.923 1.334 5.009 360 HG CYS 46 HG CYS 46 -7.766 -1.419 4.294 361 H SER 47 H SER 47 -9.717 3.705 4.685 362 HA SER 47 HA SER 47 -7.845 5.555 4.235 363 HB2 SER 47 1HB SER 47 -9.536 7.217 4.076 364 HB3 SER 47 2HB SER 47 -10.337 5.692 3.697 365 HG SER 47 HG SER 47 -11.664 6.288 5.215 366 H SER 48 H SER 48 -9.284 4.894 7.347 367 HA SER 48 HA SER 48 -8.176 7.204 8.642 368 HB2 SER 48 1HB SER 48 -9.657 4.761 9.541 369 HB3 SER 48 2HB SER 48 -8.798 5.731 10.737 370 HG SER 48 HG SER 48 -10.103 7.421 10.329 371 H ASP 49 H ASP 49 -7.459 3.717 8.752 372 HA ASP 49 HA ASP 49 -5.218 3.885 10.421 373 HB2 ASP 49 1HB ASP 49 -5.645 1.845 8.232 374 HB3 ASP 49 2HB ASP 49 -4.687 1.651 9.697 375 H TRP 50 H TRP 50 -5.471 3.969 6.886 376 HA TRP 50 HA TRP 50 -2.776 3.972 6.240 377 HB2 TRP 50 1HB TRP 50 -4.463 3.778 4.522 378 HB3 TRP 50 2HB TRP 50 -5.078 5.388 4.886 379 HD1 TRP 50 HD TRP 50 -4.111 7.317 3.486 380 HE1 TRP 50 1HE TRP 50 -2.152 7.578 1.838 381 HE3 TRP 50 3HE TRP 50 -1.908 2.747 4.115 382 HZ2 TRP 50 2HZ TRP 50 0.037 6.049 0.924 383 HZ3 TRP 50 3HZ TRP 50 0.116 2.224 2.816 384 HH2 TRP 50 HH TRP 50 1.066 3.842 1.254 385 H ALA 51 H ALA 51 -4.825 6.612 7.334 386 HA ALA 51 HA ALA 51 -3.000 8.711 6.821 387 HB1 ALA 51 1HB ALA 51 -4.550 9.499 9.000 388 HB2 ALA 51 2HB ALA 51 -4.866 9.819 7.294 389 HB3 ALA 51 3HB ALA 51 -5.578 8.406 8.072 390 H LEU 52 H LEU 52 -3.063 6.257 9.192 391 HA LEU 52 HA LEU 52 -1.579 7.697 11.195 392 HB2 LEU 52 1HB LEU 52 -2.127 4.748 10.897 393 HB3 LEU 52 2HB LEU 52 -1.417 5.517 12.314 394 HG LEU 52 HG LEU 52 -4.224 5.929 11.285 395 HD11 LEU 52 1HD1 LEU 52 -4.135 3.802 12.285 396 HD12 LEU 52 2HD1 LEU 52 -4.764 4.880 13.531 397 HD13 LEU 52 3HD1 LEU 52 -3.078 4.365 13.580 398 HD21 LEU 52 1HD2 LEU 52 -2.844 7.051 13.722 399 HD22 LEU 52 2HD2 LEU 52 -4.554 7.230 13.331 400 HD23 LEU 52 3HD2 LEU 52 -3.330 7.960 12.291 401 H LEU 53 H LEU 53 -0.868 5.655 8.470 402 HA LEU 53 HA LEU 53 1.727 4.845 9.100 403 HB2 LEU 53 1HB LEU 53 0.310 5.369 6.514 404 HB3 LEU 53 2HB LEU 53 2.011 4.909 6.533 405 HG LEU 53 HG LEU 53 -0.041 3.212 7.906 406 HD11 LEU 53 1HD1 LEU 53 0.298 3.630 5.018 407 HD12 LEU 53 2HD1 LEU 53 -1.067 2.977 5.922 408 HD13 LEU 53 3HD1 LEU 53 0.312 1.946 5.543 409 HD21 LEU 53 1HD2 LEU 53 2.692 3.102 7.757 410 HD22 LEU 53 2HD2 LEU 53 2.195 1.998 6.475 411 HD23 LEU 53 3HD2 LEU 53 1.630 1.744 8.128 412 H ARG 54 H ARG 54 3.766 5.637 8.204 413 HA ARG 54 HA ARG 54 3.838 8.578 8.201 414 HB2 ARG 54 1HB ARG 54 6.163 6.725 8.715 415 HB3 ARG 54 2HB ARG 54 6.067 8.450 9.044 416 HG2 ARG 54 1HG ARG 54 4.066 7.683 10.589 417 HG3 ARG 54 2HG ARG 54 4.955 6.159 10.566 418 HD2 ARG 54 1HD ARG 54 5.821 7.279 12.419 419 HD3 ARG 54 2HD ARG 54 7.010 7.578 11.153 420 HE ARG 54 HE ARG 54 5.243 9.692 11.052 421 HH11 ARG 54 1HH1 ARG 54 7.416 8.307 13.392 422 HH12 ARG 54 2HH1 ARG 54 7.725 9.813 14.189 423 HH21 ARG 54 1HH2 ARG 54 5.643 11.682 12.093 424 HH22 ARG 54 2HH2 ARG 54 6.716 11.732 13.451 425 H GLU 55 H GLU 55 5.607 9.556 6.881 426 HA GLU 55 HA GLU 55 5.321 9.120 4.210 427 HB2 GLU 55 1HB GLU 55 6.666 10.938 5.587 428 HB3 GLU 55 2HB GLU 55 8.034 9.920 5.165 429 HG2 GLU 55 1HG GLU 55 7.024 10.115 2.751 430 HG3 GLU 55 2HG GLU 55 6.287 11.571 3.419 431 H GLU 56 H GLU 56 7.837 7.714 6.289 432 HA GLU 56 HA GLU 56 9.268 6.325 4.366 433 HB2 GLU 56 1HB GLU 56 8.699 5.593 7.240 434 HB3 GLU 56 2HB GLU 56 9.875 4.761 6.234 435 HG2 GLU 56 1HG GLU 56 11.152 6.808 5.990 436 HG3 GLU 56 2HG GLU 56 9.953 7.686 6.938 437 H GLU 57 H GLU 57 6.544 5.132 6.328 438 HA GLU 57 HA GLU 57 6.367 2.587 5.222 439 HB2 GLU 57 1HB GLU 57 4.037 4.259 6.171 440 HB3 GLU 57 2HB GLU 57 4.117 2.504 6.096 441 HG2 GLU 57 1HG GLU 57 6.138 3.925 7.739 442 HG3 GLU 57 2HG GLU 57 4.487 3.825 8.346 443 H LYS 58 H LYS 58 4.484 5.483 4.333 444 HA LYS 58 HA LYS 58 3.040 4.452 2.231 445 HB2 LYS 58 1HB LYS 58 4.260 7.216 2.344 446 HB3 LYS 58 2HB LYS 58 2.872 6.730 1.379 447 HG2 LYS 58 1HG LYS 58 1.818 6.083 3.646 448 HG3 LYS 58 2HG LYS 58 3.073 7.113 4.337 449 HD2 LYS 58 1HD LYS 58 2.266 9.023 3.213 450 HD3 LYS 58 2HD LYS 58 1.255 8.056 2.136 451 HE2 LYS 58 1HE LYS 58 -0.010 7.332 4.212 452 HE3 LYS 58 2HE LYS 58 0.860 8.603 5.068 453 HZ1 LYS 58 1HZ LYS 58 -1.452 9.089 4.045 454 HZ2 LYS 58 2HZ LYS 58 -0.595 9.254 2.597 455 HZ3 LYS 58 3HZ LYS 58 -0.225 10.247 3.915 456 H GLU 59 H GLU 59 6.320 5.806 2.153 457 HA GLU 59 HA GLU 59 6.733 5.620 -0.610 458 HB2 GLU 59 1HB GLU 59 8.578 5.653 1.758 459 HB3 GLU 59 2HB GLU 59 9.216 5.416 0.137 460 HG2 GLU 59 1HG GLU 59 7.884 7.558 -0.437 461 HG3 GLU 59 2HG GLU 59 7.881 7.815 1.307 462 H LYS 60 H LYS 60 7.556 3.324 1.979 463 HA LYS 60 HA LYS 60 8.756 1.355 0.444 464 HB2 LYS 60 1HB LYS 60 8.940 0.985 2.719 465 HB3 LYS 60 2HB LYS 60 7.244 1.342 3.022 466 HG2 LYS 60 1HG LYS 60 6.641 -0.797 1.940 467 HG3 LYS 60 2HG LYS 60 8.361 -1.159 1.774 468 HD2 LYS 60 1HD LYS 60 7.923 -2.243 3.740 469 HD3 LYS 60 2HD LYS 60 8.359 -0.651 4.366 470 HE2 LYS 60 1HE LYS 60 5.512 -1.160 3.676 471 HE3 LYS 60 2HE LYS 60 6.157 -1.906 5.138 472 HZ1 LYS 60 1HZ LYS 60 5.975 0.019 6.183 473 HZ2 LYS 60 2HZ LYS 60 5.287 0.715 4.804 474 HZ3 LYS 60 3HZ LYS 60 6.959 0.788 5.042 475 H TYR 61 H TYR 61 5.319 1.622 1.344 476 HA TYR 61 HA TYR 61 4.402 -0.630 -0.013 477 HB2 TYR 61 1HB TYR 61 3.128 1.928 0.874 478 HB3 TYR 61 2HB TYR 61 2.217 0.835 -0.162 479 HD1 TYR 61 2HD TYR 61 1.681 -1.457 0.634 480 HD2 TYR 61 1HD TYR 61 3.499 1.430 3.176 481 HE1 TYR 61 2HE TYR 61 1.048 -2.795 2.598 482 HE2 TYR 61 1HE TYR 61 2.872 0.099 5.147 483 HH TYR 61 HH TYR 61 1.490 -1.602 5.857 484 H ALA 62 H ALA 62 4.840 2.691 -1.149 485 HA ALA 62 HA ALA 62 3.704 2.309 -3.710 486 HB1 ALA 62 1HB ALA 62 5.612 4.324 -3.965 487 HB2 ALA 62 2HB ALA 62 3.896 4.520 -3.603 488 HB3 ALA 62 3HB ALA 62 5.069 4.415 -2.289 489 H GLU 63 H GLU 63 6.992 1.978 -2.464 490 HA GLU 63 HA GLU 63 8.297 1.628 -4.928 491 HB2 GLU 63 1HB GLU 63 8.929 0.935 -2.092 492 HB3 GLU 63 2HB GLU 63 9.919 0.245 -3.368 493 HG2 GLU 63 1HG GLU 63 10.194 2.638 -4.209 494 HG3 GLU 63 2HG GLU 63 9.548 3.127 -2.643 495 H MET 64 H MET 64 7.095 -0.790 -2.604 496 HA MET 64 HA MET 64 7.750 -3.044 -4.157 497 HB2 MET 64 1HB MET 64 6.111 -4.237 -2.704 498 HB3 MET 64 2HB MET 64 7.299 -3.300 -1.810 499 HG2 MET 64 1HG MET 64 5.567 -1.467 -1.684 500 HG3 MET 64 2HG MET 64 4.411 -2.648 -2.293 501 HE1 MET 64 1HE MET 64 4.443 -4.972 -1.440 502 HE2 MET 64 2HE MET 64 5.520 -5.476 -0.138 503 HE3 MET 64 3HE MET 64 3.822 -5.141 0.202 504 H ALA 65 H ALA 65 5.026 -0.871 -4.205 505 HA ALA 65 HA ALA 65 3.249 -2.511 -5.682 506 HB1 ALA 65 1HB ALA 65 1.821 -0.766 -5.583 507 HB2 ALA 65 2HB ALA 65 2.971 -0.173 -4.382 508 HB3 ALA 65 3HB ALA 65 3.053 0.409 -6.045 509 H ARG 66 H ARG 66 5.219 0.277 -6.736 510 HA ARG 66 HA ARG 66 4.732 -0.015 -9.472 511 HB2 ARG 66 1HB ARG 66 6.789 1.352 -9.778 512 HB3 ARG 66 2HB ARG 66 5.668 2.029 -8.605 513 HG2 ARG 66 1HG ARG 66 7.099 0.857 -6.837 514 HG3 ARG 66 2HG ARG 66 8.297 0.680 -8.120 515 HD2 ARG 66 1HD ARG 66 7.066 3.339 -7.474 516 HD3 ARG 66 2HD ARG 66 8.460 2.730 -6.582 517 HE ARG 66 HE ARG 66 9.095 2.522 -9.264 518 HH11 ARG 66 1HH1 ARG 66 8.286 5.052 -7.013 519 HH12 ARG 66 2HH1 ARG 66 9.223 6.258 -7.832 520 HH21 ARG 66 1HH2 ARG 66 10.332 4.102 -10.350 521 HH22 ARG 66 2HH2 ARG 66 10.385 5.717 -9.730 522 H GLU 67 H GLU 67 7.621 -1.020 -7.631 523 HA GLU 67 HA GLU 67 8.982 -2.309 -9.651 524 HB2 GLU 67 1HB GLU 67 8.828 -2.991 -6.713 525 HB3 GLU 67 2HB GLU 67 9.978 -3.722 -7.823 526 HG2 GLU 67 1HG GLU 67 9.805 -0.853 -6.965 527 HG3 GLU 67 2HG GLU 67 11.122 -1.993 -6.702 528 H TRP 68 H TRP 68 6.365 -3.535 -7.631 529 HA TRP 68 HA TRP 68 6.483 -6.220 -8.481 530 HB2 TRP 68 1HB TRP 68 5.258 -5.656 -6.488 531 HB3 TRP 68 2HB TRP 68 4.195 -4.576 -7.386 532 HD1 TRP 68 HD TRP 68 5.006 -8.362 -7.185 533 HE1 TRP 68 1HE TRP 68 2.859 -9.663 -7.755 534 HE3 TRP 68 3HE TRP 68 1.958 -4.426 -8.350 535 HZ2 TRP 68 2HZ TRP 68 0.223 -9.096 -8.589 536 HZ3 TRP 68 3HZ TRP 68 -0.362 -4.891 -9.026 537 HH2 TRP 68 HH TRP 68 -1.210 -7.178 -9.142 538 H ARG 69 H ARG 69 4.394 -3.538 -9.552 539 HA ARG 69 HA ARG 69 3.021 -4.925 -11.546 540 HB2 ARG 69 1HB ARG 69 3.605 -2.055 -10.999 541 HB3 ARG 69 2HB ARG 69 2.979 -2.478 -12.586 542 HG2 ARG 69 1HG ARG 69 1.590 -3.512 -10.165 543 HG3 ARG 69 2HG ARG 69 1.366 -1.826 -10.639 544 HD2 ARG 69 1HD ARG 69 -0.336 -2.778 -11.822 545 HD3 ARG 69 2HD ARG 69 0.959 -2.922 -13.009 546 HE ARG 69 HE ARG 69 0.818 -5.212 -11.327 547 HH11 ARG 69 1HH1 ARG 69 -0.673 -3.670 -14.069 548 HH12 ARG 69 2HH1 ARG 69 -1.260 -5.152 -14.748 549 HH21 ARG 69 1HH2 ARG 69 0.052 -7.170 -12.211 550 HH22 ARG 69 2HH2 ARG 69 -0.848 -7.142 -13.690 551 H ALA 70 H ALA 70 6.013 -3.025 -11.750 552 HA ALA 70 HA ALA 70 6.437 -3.227 -14.498 553 HB1 ALA 70 1HB ALA 70 8.225 -2.010 -13.999 554 HB2 ALA 70 2HB ALA 70 7.840 -2.221 -12.290 555 HB3 ALA 70 3HB ALA 70 8.937 -3.345 -13.092 556 H ALA 71 H ALA 71 7.761 -5.288 -11.905 557 HA ALA 71 HA ALA 71 9.052 -7.118 -13.600 558 HB1 ALA 71 1HB ALA 71 8.014 -8.189 -11.064 559 HB2 ALA 71 2HB ALA 71 9.658 -8.171 -11.705 560 HB3 ALA 71 3HB ALA 71 8.999 -6.733 -10.927 561 H GLN 72 H GLN 72 5.755 -6.954 -12.404 562 HA GLN 72 HA GLN 72 4.981 -9.567 -13.185 563 HB2 GLN 72 1HB GLN 72 3.521 -7.062 -12.444 564 HB3 GLN 72 2HB GLN 72 2.629 -8.400 -13.155 565 HG2 GLN 72 1HG GLN 72 4.265 -8.480 -10.630 566 HG3 GLN 72 2HG GLN 72 2.506 -8.490 -10.748 567 HE21 GLN 72 1HE2 GLN 72 5.274 -10.362 -10.551 568 HE22 GLN 72 2HE2 GLN 72 4.579 -11.896 -10.938 569 H GLY 73 H GLY 73 5.307 -6.558 -14.883 570 HA2 GLY 73 1HA GLY 73 5.577 -7.192 -17.384 571 HA3 GLY 73 2HA GLY 73 3.891 -7.656 -17.213 572 H LYS 74 H LYS 74 5.636 -4.864 -15.886 573 HA LYS 74 HA LYS 74 3.965 -3.105 -17.545 574 HB2 LYS 74 1HB LYS 74 2.925 -3.190 -15.348 575 HB3 LYS 74 2HB LYS 74 4.462 -2.822 -14.576 576 HG2 LYS 74 1HG LYS 74 3.522 -0.756 -14.544 577 HG3 LYS 74 2HG LYS 74 4.318 -0.682 -16.118 578 HD2 LYS 74 1HD LYS 74 2.020 -1.696 -16.936 579 HD3 LYS 74 2HD LYS 74 1.426 -0.944 -15.453 580 HE2 LYS 74 1HE LYS 74 1.152 0.791 -16.916 581 HE3 LYS 74 2HE LYS 74 2.793 1.120 -16.360 582 HZ1 LYS 74 1HZ LYS 74 1.901 0.587 -18.973 583 HZ2 LYS 74 2HZ LYS 74 2.981 -0.631 -18.514 584 HZ3 LYS 74 3HZ LYS 74 3.460 0.991 -18.451 585 H ASP 75 H ASP 75 6.033 -3.120 -18.764 586 HA ASP 75 HA ASP 75 8.444 -2.129 -17.791 587 HB2 ASP 75 1HB ASP 75 8.862 -1.445 -20.193 588 HB3 ASP 75 2HB ASP 75 8.415 -3.132 -19.952 589 HA PRO 76 HA PRO 76 7.692 2.128 -16.978 590 HB2 PRO 76 1HB PRO 76 10.224 3.073 -17.230 591 HB3 PRO 76 2HB PRO 76 9.691 2.111 -15.847 592 HG2 PRO 76 1HG PRO 76 11.211 1.252 -18.279 593 HG3 PRO 76 2HG PRO 76 11.474 0.811 -16.582 594 HD2 PRO 76 1HD PRO 76 10.201 -0.818 -18.329 595 HD3 PRO 76 2HD PRO 76 9.798 -0.770 -16.601 596 H GLY 77 H GLY 77 9.000 1.006 -19.967 597 HA2 GLY 77 1HA GLY 77 7.795 2.289 -21.845 598 HA3 GLY 77 2HA GLY 77 8.664 3.666 -21.186 599 HA PRO 78 HA PRO 78 11.275 1.935 -24.562 600 HB2 PRO 78 1HB PRO 78 12.045 4.361 -25.506 601 HB3 PRO 78 2HB PRO 78 10.543 3.570 -26.002 602 HG2 PRO 78 1HG PRO 78 10.966 5.729 -23.971 603 HG3 PRO 78 2HG PRO 78 9.696 5.582 -25.200 604 HD2 PRO 78 1HD PRO 78 9.291 4.937 -22.601 605 HD3 PRO 78 2HD PRO 78 8.467 4.101 -23.932 606 H SER 79 H SER 79 13.579 2.115 -24.884 607 HA SER 79 HA SER 79 14.977 3.213 -22.532 608 HB2 SER 79 1HB SER 79 15.047 0.776 -22.535 609 HB3 SER 79 2HB SER 79 15.668 0.772 -24.186 610 HG SER 79 HG SER 79 17.593 1.137 -23.436 611 H GLU 80 H GLU 80 15.688 5.145 -23.285 612 HA GLU 80 HA GLU 80 16.754 5.478 -25.925 613 HB2 GLU 80 1HB GLU 80 16.667 7.273 -23.503 614 HB3 GLU 80 2HB GLU 80 17.417 7.757 -25.017 615 HG2 GLU 80 1HG GLU 80 15.253 8.666 -25.045 616 HG3 GLU 80 2HG GLU 80 15.208 7.278 -26.129 617 H LYS 81 H LYS 81 18.961 6.581 -26.157 618 HA LYS 81 HA LYS 81 20.918 4.959 -24.684 619 HB2 LYS 81 1HB LYS 81 20.705 4.964 -27.274 620 HB3 LYS 81 2HB LYS 81 21.528 6.516 -27.180 621 HG2 LYS 81 1HG LYS 81 23.460 5.533 -26.222 622 HG3 LYS 81 2HG LYS 81 22.628 4.000 -25.956 623 HD2 LYS 81 1HD LYS 81 22.344 3.872 -28.469 624 HD3 LYS 81 2HD LYS 81 23.468 5.228 -28.574 625 HE2 LYS 81 1HE LYS 81 24.800 3.317 -28.852 626 HE3 LYS 81 2HE LYS 81 25.056 3.807 -27.178 627 HZ1 LYS 81 1HZ LYS 81 22.870 2.023 -27.348 628 HZ2 LYS 81 2HZ LYS 81 24.315 1.853 -26.487 629 HZ3 LYS 81 3HZ LYS 81 24.222 1.333 -28.094 630 H GLN 82 H GLN 82 20.012 7.032 -23.215 631 HA GLN 82 HA GLN 82 22.245 8.950 -23.315 632 HB2 GLN 82 1HB GLN 82 19.916 9.850 -23.909 633 HB3 GLN 82 2HB GLN 82 19.526 9.622 -22.209 634 HG2 GLN 82 1HG GLN 82 21.727 11.019 -21.862 635 HG3 GLN 82 2HG GLN 82 21.356 11.576 -23.493 636 HE21 GLN 82 1HE2 GLN 82 20.218 11.416 -20.192 637 HE22 GLN 82 2HE2 GLN 82 19.069 12.699 -20.320 638 H LYS 83 H LYS 83 23.560 8.094 -21.788 639 HA LYS 83 HA LYS 83 22.478 7.946 -19.060 640 HB2 LYS 83 1HB LYS 83 23.799 5.964 -18.592 641 HB3 LYS 83 2HB LYS 83 22.727 5.657 -19.951 642 HG2 LYS 83 1HG LYS 83 24.832 6.382 -21.351 643 HG3 LYS 83 2HG LYS 83 25.688 5.901 -19.884 644 HD2 LYS 83 1HD LYS 83 24.995 3.689 -20.057 645 HD3 LYS 83 2HD LYS 83 23.633 4.095 -21.104 646 HE2 LYS 83 1HE LYS 83 26.477 4.495 -21.982 647 HE3 LYS 83 2HE LYS 83 25.664 2.941 -22.163 648 HZ1 LYS 83 1HZ LYS 83 25.583 4.966 -23.953 649 HZ2 LYS 83 2HZ LYS 83 24.119 5.164 -23.131 650 HZ3 LYS 83 3HZ LYS 83 24.477 3.690 -23.880 651 HA PRO 84 HA PRO 84 26.132 10.752 -19.184 652 HB2 PRO 84 1HB PRO 84 25.092 12.529 -17.414 653 HB3 PRO 84 2HB PRO 84 24.746 12.585 -19.147 654 HG2 PRO 84 1HG PRO 84 23.095 11.455 -16.920 655 HG3 PRO 84 2HG PRO 84 22.584 12.437 -18.306 656 HD2 PRO 84 1HD PRO 84 22.274 9.748 -18.231 657 HD3 PRO 84 2HD PRO 84 22.576 10.633 -19.741 658 H VAL 85 H VAL 85 27.754 10.990 -17.659 659 HA VAL 85 HA VAL 85 27.292 9.711 -15.044 660 HB VAL 85 HB VAL 85 28.595 8.211 -16.483 661 HG11 VAL 85 1HG1 VAL 85 29.601 10.140 -17.809 662 HG12 VAL 85 2HG1 VAL 85 30.783 10.270 -16.505 663 HG13 VAL 85 3HG1 VAL 85 30.663 8.781 -17.442 664 HG21 VAL 85 1HG2 VAL 85 30.492 9.343 -14.454 665 HG22 VAL 85 2HG2 VAL 85 29.005 8.530 -13.965 666 HG23 VAL 85 3HG2 VAL 85 30.219 7.658 -14.900 667 H PHE 86 H PHE 86 27.845 10.897 -13.334 668 HA PHE 86 HA PHE 86 28.904 13.534 -13.694 669 HB2 PHE 86 1HB PHE 86 27.187 12.691 -11.933 670 HB3 PHE 86 2HB PHE 86 28.609 12.197 -11.020 671 HD1 PHE 86 1HD PHE 86 27.069 15.142 -12.680 672 HD2 PHE 86 2HD PHE 86 29.708 13.718 -9.659 673 HE1 PHE 86 1HE PHE 86 27.290 17.429 -11.800 674 HE2 PHE 86 2HE PHE 86 29.934 16.003 -8.774 675 HZ PHE 86 HZ PHE 86 28.722 17.861 -9.843 676 H THR 87 H THR 87 30.842 14.377 -12.877 677 HA THR 87 HA THR 87 32.928 12.361 -12.349 678 HB THR 87 HB THR 87 33.396 15.059 -13.621 679 HG1 THR 87 1HG THR 87 32.766 12.549 -14.755 680 HG21 THR 87 1HG2 THR 87 35.087 12.860 -12.721 681 HG22 THR 87 2HG2 THR 87 35.515 14.522 -13.128 682 HG23 THR 87 3HG2 THR 87 35.378 13.310 -14.401 683 H SER 88 H SER 88 33.907 12.495 -10.443 684 HA SER 88 HA SER 88 33.353 14.751 -8.707 685 HB2 SER 88 1HB SER 88 34.584 13.365 -7.002 686 HB3 SER 88 2HB SER 88 33.170 12.574 -7.701 687 HG SER 88 HG SER 88 35.900 12.066 -8.157 688 H GLY 89 H GLY 89 34.969 15.984 -7.639 689 HA2 GLY 89 1HA GLY 89 37.622 15.923 -8.927 690 HA3 GLY 89 2HA GLY 89 36.741 17.433 -8.760 691 HA PRO 90 HA PRO 90 38.008 16.010 -4.298 692 HB2 PRO 90 1HB PRO 90 39.888 14.053 -4.177 693 HB3 PRO 90 2HB PRO 90 38.152 13.719 -4.179 694 HG2 PRO 90 1HG PRO 90 40.108 13.593 -6.442 695 HG3 PRO 90 2HG PRO 90 38.810 12.461 -6.020 696 HD2 PRO 90 1HD PRO 90 38.554 14.306 -7.986 697 HD3 PRO 90 2HD PRO 90 37.182 13.770 -6.995 698 H SER 91 H SER 91 39.771 16.866 -6.957 699 HA SER 91 HA SER 91 41.667 18.073 -7.316 700 HB2 SER 91 1HB SER 91 41.330 18.750 -4.383 701 HB3 SER 91 2HB SER 91 42.362 19.617 -5.520 702 HG SER 91 HG SER 91 40.563 20.293 -6.624 703 H SER 92 H SER 92 42.207 15.460 -7.060 704 HA SER 92 HA SER 92 44.252 15.003 -5.071 705 HB2 SER 92 1HB SER 92 44.438 12.778 -6.072 706 HB3 SER 92 2HB SER 92 42.746 13.179 -5.785 707 HG SER 92 HG SER 92 42.864 13.952 -8.093 708 H GLY 93 H GLY 93 46.383 14.019 -5.853 709 HA2 GLY 93 1HA GLY 93 47.438 15.755 -7.995 710 HA3 GLY 93 2HA GLY 93 48.375 15.182 -6.623 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -20.029 -6.855 -14.948 2 HA2 GLY 1 1HA GLY 1 -20.723 -7.782 -17.605 3 HA3 GLY 1 2HA GLY 1 -21.255 -8.480 -16.082 4 H SER 2 H SER 2 -23.410 -8.530 -16.192 5 HA SER 2 HA SER 2 -24.822 -6.144 -17.167 6 HB2 SER 2 1HB SER 2 -25.274 -8.417 -18.218 7 HB3 SER 2 2HB SER 2 -26.026 -8.873 -16.689 8 HG SER 2 HG SER 2 -26.968 -7.269 -18.699 9 H SER 3 H SER 3 -25.177 -4.798 -15.509 10 HA SER 3 HA SER 3 -25.725 -4.027 -13.425 11 HB2 SER 3 1HB SER 3 -27.945 -4.644 -12.698 12 HB3 SER 3 2HB SER 3 -27.939 -4.575 -14.460 13 HG SER 3 HG SER 3 -28.890 -6.504 -13.240 14 H GLY 4 H GLY 4 -23.659 -5.873 -13.277 15 HA2 GLY 4 1HA GLY 4 -24.315 -7.326 -10.788 16 HA3 GLY 4 2HA GLY 4 -23.169 -7.926 -11.977 17 H SER 5 H SER 5 -23.596 -4.701 -10.539 18 HA SER 5 HA SER 5 -21.339 -4.866 -8.846 19 HB2 SER 5 1HB SER 5 -19.868 -3.273 -10.114 20 HB3 SER 5 2HB SER 5 -20.020 -4.861 -10.863 21 HG SER 5 HG SER 5 -21.185 -4.022 -12.460 22 H SER 6 H SER 6 -21.596 -3.378 -7.313 23 HA SER 6 HA SER 6 -23.704 -1.479 -7.458 24 HB2 SER 6 1HB SER 6 -21.519 -1.989 -5.442 25 HB3 SER 6 2HB SER 6 -22.682 -0.678 -5.246 26 HG SER 6 HG SER 6 -23.669 -3.228 -5.806 27 H GLY 7 H GLY 7 -23.665 0.732 -7.673 28 HA2 GLY 7 1HA GLY 7 -22.903 2.788 -8.354 29 HA3 GLY 7 2HA GLY 7 -21.346 2.330 -7.678 30 H MET 8 H MET 8 -20.587 3.640 -9.542 31 HA MET 8 HA MET 8 -20.586 2.078 -12.038 32 HB2 MET 8 1HB MET 8 -20.071 4.144 -13.206 33 HB3 MET 8 2HB MET 8 -21.521 4.353 -12.235 34 HG2 MET 8 1HG MET 8 -19.765 5.239 -10.467 35 HG3 MET 8 2HG MET 8 -18.835 5.565 -11.928 36 HE1 MET 8 1HE MET 8 -22.644 7.438 -10.406 37 HE2 MET 8 2HE MET 8 -23.031 6.183 -11.583 38 HE3 MET 8 3HE MET 8 -22.072 5.788 -10.156 39 HA PRO 9 HA PRO 9 -16.307 1.219 -11.468 40 HB2 PRO 9 1HB PRO 9 -15.605 0.777 -14.054 41 HB3 PRO 9 2HB PRO 9 -16.562 -0.370 -13.108 42 HG2 PRO 9 1HG PRO 9 -17.475 1.655 -15.114 43 HG3 PRO 9 2HG PRO 9 -18.001 -0.025 -14.901 44 HD2 PRO 9 1HD PRO 9 -19.433 2.079 -13.976 45 HD3 PRO 9 2HD PRO 9 -19.408 0.505 -13.154 46 H ASN 10 H ASN 10 -14.380 2.282 -11.467 47 HA ASN 10 HA ASN 10 -14.312 5.025 -12.089 48 HB2 ASN 10 1HB ASN 10 -12.147 3.040 -11.404 49 HB3 ASN 10 2HB ASN 10 -11.802 4.743 -11.694 50 HD21 ASN 10 1HD2 ASN 10 -11.506 3.120 -9.275 51 HD22 ASN 10 2HD2 ASN 10 -12.425 3.923 -8.054 52 H ARG 11 H ARG 11 -12.561 6.018 -13.487 53 HA ARG 11 HA ARG 11 -12.394 4.564 -16.046 54 HB2 ARG 11 1HB ARG 11 -13.931 6.625 -15.901 55 HB3 ARG 11 2HB ARG 11 -12.446 7.564 -15.819 56 HG2 ARG 11 1HG ARG 11 -11.826 7.013 -17.985 57 HG3 ARG 11 2HG ARG 11 -12.885 5.601 -18.031 58 HD2 ARG 11 1HD ARG 11 -14.804 7.297 -17.797 59 HD3 ARG 11 2HD ARG 11 -13.603 8.504 -18.255 60 HE ARG 11 HE ARG 11 -14.870 6.596 -19.969 61 HH11 ARG 11 1HH1 ARG 11 -11.978 8.470 -19.474 62 HH12 ARG 11 2HH1 ARG 11 -11.542 8.483 -21.152 63 HH21 ARG 11 1HH2 ARG 11 -14.307 6.606 -22.180 64 HH22 ARG 11 2HH2 ARG 11 -12.869 7.423 -22.690 65 H LYS 12 H LYS 12 -10.886 7.298 -14.315 66 HA LYS 12 HA LYS 12 -8.292 6.445 -15.415 67 HB2 LYS 12 1HB LYS 12 -9.207 8.780 -15.932 68 HB3 LYS 12 2HB LYS 12 -8.894 9.155 -14.241 69 HG2 LYS 12 1HG LYS 12 -6.703 8.013 -15.905 70 HG3 LYS 12 2HG LYS 12 -7.130 9.717 -16.080 71 HD2 LYS 12 1HD LYS 12 -6.550 8.450 -13.412 72 HD3 LYS 12 2HD LYS 12 -5.293 9.177 -14.416 73 HE2 LYS 12 1HE LYS 12 -6.529 11.303 -14.386 74 HE3 LYS 12 2HE LYS 12 -7.749 10.568 -13.348 75 HZ1 LYS 12 1HZ LYS 12 -6.119 11.876 -12.101 76 HZ2 LYS 12 2HZ LYS 12 -4.879 10.863 -12.648 77 HZ3 LYS 12 3HZ LYS 12 -6.094 10.246 -11.646 78 H ALA 13 H ALA 13 -7.459 5.079 -13.928 79 HA ALA 13 HA ALA 13 -6.587 6.181 -11.423 80 HB1 ALA 13 1HB ALA 13 -8.856 5.527 -10.812 81 HB2 ALA 13 2HB ALA 13 -8.542 3.884 -11.372 82 HB3 ALA 13 3HB ALA 13 -7.663 4.526 -9.984 83 H SER 14 H SER 14 -5.523 4.293 -10.083 84 HA SER 14 HA SER 14 -4.552 2.037 -11.503 85 HB2 SER 14 1HB SER 14 -2.158 2.771 -11.634 86 HB3 SER 14 2HB SER 14 -3.227 3.629 -12.743 87 HG SER 14 HG SER 14 -2.974 5.429 -11.627 88 H ARG 15 H ARG 15 -3.051 0.764 -10.245 89 HA ARG 15 HA ARG 15 -3.629 0.821 -7.479 90 HB2 ARG 15 1HB ARG 15 -1.539 -0.715 -9.029 91 HB3 ARG 15 2HB ARG 15 -1.914 -0.992 -7.333 92 HG2 ARG 15 1HG ARG 15 -3.900 -2.006 -7.791 93 HG3 ARG 15 2HG ARG 15 -4.148 -1.094 -9.282 94 HD2 ARG 15 1HD ARG 15 -2.154 -2.426 -10.194 95 HD3 ARG 15 2HD ARG 15 -2.404 -3.490 -8.811 96 HE ARG 15 HE ARG 15 -4.856 -3.384 -9.900 97 HH11 ARG 15 1HH1 ARG 15 -1.711 -3.986 -11.266 98 HH12 ARG 15 2HH1 ARG 15 -2.309 -5.021 -12.520 99 HH21 ARG 15 1HH2 ARG 15 -5.657 -4.744 -11.548 100 HH22 ARG 15 2HH2 ARG 15 -4.554 -5.451 -12.680 101 H ASN 16 H ASN 16 -2.244 1.187 -5.703 102 HA ASN 16 HA ASN 16 0.364 2.332 -6.084 103 HB2 ASN 16 1HB ASN 16 -1.956 4.066 -5.235 104 HB3 ASN 16 2HB ASN 16 -0.282 4.484 -4.884 105 HD21 ASN 16 1HD2 ASN 16 1.182 4.446 -6.832 106 HD22 ASN 16 2HD2 ASN 16 0.551 5.130 -8.287 107 H ALA 17 H ALA 17 1.229 3.149 -3.898 108 HA ALA 17 HA ALA 17 1.502 1.212 -2.082 109 HB1 ALA 17 1HB ALA 17 1.200 4.119 -1.337 110 HB2 ALA 17 2HB ALA 17 2.030 2.877 -0.396 111 HB3 ALA 17 3HB ALA 17 2.667 3.369 -1.966 112 H TYR 18 H TYR 18 -1.177 3.537 -2.081 113 HA TYR 18 HA TYR 18 -2.422 2.756 0.279 114 HB2 TYR 18 1HB TYR 18 -2.996 4.744 -1.178 115 HB3 TYR 18 2HB TYR 18 -3.877 3.633 -2.218 116 HD1 TYR 18 2HD TYR 18 -3.656 4.540 1.404 117 HD2 TYR 18 1HD TYR 18 -6.144 3.413 -1.858 118 HE1 TYR 18 2HE TYR 18 -5.638 4.778 2.842 119 HE2 TYR 18 1HE TYR 18 -8.133 3.648 -0.431 120 HH TYR 18 HH TYR 18 -8.393 5.280 2.106 121 H TYR 19 H TYR 19 -3.127 1.647 -3.036 122 HA TYR 19 HA TYR 19 -5.094 -0.193 -2.494 123 HB2 TYR 19 1HB TYR 19 -4.595 0.258 -4.766 124 HB3 TYR 19 2HB TYR 19 -2.907 -0.204 -4.570 125 HD1 TYR 19 1HD TYR 19 -2.327 -2.621 -4.271 126 HD2 TYR 19 2HD TYR 19 -6.251 -1.349 -5.311 127 HE1 TYR 19 1HE TYR 19 -2.859 -4.899 -5.029 128 HE2 TYR 19 2HE TYR 19 -6.794 -3.623 -6.071 129 HH TYR 19 HH TYR 19 -5.700 -6.111 -5.361 130 H PHE 20 H PHE 20 -1.586 -0.793 -2.560 131 HA PHE 20 HA PHE 20 -1.661 -3.495 -1.876 132 HB2 PHE 20 1HB PHE 20 0.384 -1.336 -1.694 133 HB3 PHE 20 2HB PHE 20 0.685 -2.826 -0.807 134 HD1 PHE 20 2HD PHE 20 -0.478 -1.781 -4.197 135 HD2 PHE 20 1HD PHE 20 1.915 -4.428 -1.879 136 HE1 PHE 20 2HE PHE 20 0.349 -2.834 -6.261 137 HE2 PHE 20 1HE PHE 20 2.746 -5.486 -3.939 138 HZ PHE 20 HZ PHE 20 1.962 -4.690 -6.133 139 H PHE 21 H PHE 21 -1.653 -0.615 0.158 140 HA PHE 21 HA PHE 21 -1.296 -1.880 2.636 141 HB2 PHE 21 1HB PHE 21 -1.050 0.513 2.445 142 HB3 PHE 21 2HB PHE 21 -2.723 0.688 1.927 143 HD1 PHE 21 1HD PHE 21 -0.728 -0.616 4.793 144 HD2 PHE 21 2HD PHE 21 -4.306 1.284 3.485 145 HE1 PHE 21 1HE PHE 21 -1.414 -0.302 7.134 146 HE2 PHE 21 2HE PHE 21 -4.997 1.601 5.825 147 HZ PHE 21 HZ PHE 21 -3.550 0.809 7.653 148 H VAL 22 H VAL 22 -4.295 -0.875 1.000 149 HA VAL 22 HA VAL 22 -6.078 -1.866 2.919 150 HB VAL 22 HB VAL 22 -6.524 -1.594 -0.057 151 HG11 VAL 22 1HG1 VAL 22 -8.153 -2.768 1.889 152 HG12 VAL 22 2HG1 VAL 22 -8.839 -1.168 1.597 153 HG13 VAL 22 3HG1 VAL 22 -8.612 -2.289 0.255 154 HG21 VAL 22 1HG2 VAL 22 -7.530 0.396 1.902 155 HG22 VAL 22 2HG2 VAL 22 -5.808 0.423 1.518 156 HG23 VAL 22 3HG2 VAL 22 -7.002 0.615 0.234 157 H GLN 23 H GLN 23 -4.693 -3.392 0.038 158 HA GLN 23 HA GLN 23 -6.143 -5.749 0.009 159 HB2 GLN 23 1HB GLN 23 -4.450 -4.969 -1.694 160 HB3 GLN 23 2HB GLN 23 -3.195 -5.551 -0.609 161 HG2 GLN 23 1HG GLN 23 -4.207 -7.810 -0.735 162 HG3 GLN 23 2HG GLN 23 -5.340 -7.191 -1.935 163 HE21 GLN 23 1HE2 GLN 23 -4.793 -7.728 -3.910 164 HE22 GLN 23 2HE2 GLN 23 -3.185 -7.850 -4.531 165 H GLU 24 H GLU 24 -3.261 -4.927 1.890 166 HA GLU 24 HA GLU 24 -3.126 -7.535 3.109 167 HB2 GLU 24 1HB GLU 24 -1.600 -4.973 3.406 168 HB3 GLU 24 2HB GLU 24 -1.437 -6.231 4.622 169 HG2 GLU 24 1HG GLU 24 -1.018 -6.771 1.703 170 HG3 GLU 24 2HG GLU 24 0.275 -6.191 2.751 171 H LYS 25 H LYS 25 -5.426 -5.443 3.426 172 HA LYS 25 HA LYS 25 -5.640 -5.742 6.350 173 HB2 LYS 25 1HB LYS 25 -6.515 -3.443 4.601 174 HB3 LYS 25 2HB LYS 25 -7.090 -3.662 6.248 175 HG2 LYS 25 1HG LYS 25 -4.158 -3.589 5.689 176 HG3 LYS 25 2HG LYS 25 -5.086 -2.090 5.783 177 HD2 LYS 25 1HD LYS 25 -5.696 -2.490 8.024 178 HD3 LYS 25 2HD LYS 25 -5.199 -4.182 7.942 179 HE2 LYS 25 1HE LYS 25 -3.288 -1.872 7.644 180 HE3 LYS 25 2HE LYS 25 -3.640 -2.644 9.189 181 HZ1 LYS 25 1HZ LYS 25 -1.705 -3.411 7.462 182 HZ2 LYS 25 2HZ LYS 25 -2.947 -4.504 7.110 183 HZ3 LYS 25 3HZ LYS 25 -2.353 -4.378 8.689 184 H ILE 26 H ILE 26 -7.090 -6.139 3.251 185 HA ILE 26 HA ILE 26 -9.763 -6.254 3.626 186 HB ILE 26 HB ILE 26 -7.904 -7.898 2.006 187 HG12 ILE 26 1HG1 ILE 26 -10.474 -6.481 1.285 188 HG13 ILE 26 2HG1 ILE 26 -8.899 -5.694 1.311 189 HG21 ILE 26 1HG2 ILE 26 -10.762 -8.692 2.526 190 HG22 ILE 26 2HG2 ILE 26 -9.814 -9.266 1.155 191 HG23 ILE 26 3HG2 ILE 26 -9.312 -9.657 2.800 192 HD11 ILE 26 1HD1 ILE 26 -8.434 -6.437 -0.718 193 HD12 ILE 26 2HD1 ILE 26 -8.799 -8.099 -0.255 194 HD13 ILE 26 3HD1 ILE 26 -10.090 -7.036 -0.815 195 HA PRO 27 HA PRO 27 -9.578 -10.676 5.567 196 HB2 PRO 27 1HB PRO 27 -7.136 -11.621 6.283 197 HB3 PRO 27 2HB PRO 27 -7.833 -11.881 4.681 198 HG2 PRO 27 1HG PRO 27 -5.813 -9.855 5.561 199 HG3 PRO 27 2HG PRO 27 -5.837 -10.846 4.090 200 HD2 PRO 27 1HD PRO 27 -6.612 -8.250 4.112 201 HD3 PRO 27 2HD PRO 27 -7.336 -9.454 3.026 202 H GLU 28 H GLU 28 -7.462 -8.130 6.649 203 HA GLU 28 HA GLU 28 -7.393 -8.890 9.397 204 HB2 GLU 28 1HB GLU 28 -5.743 -7.371 8.223 205 HB3 GLU 28 2HB GLU 28 -6.975 -6.119 8.278 206 HG2 GLU 28 1HG GLU 28 -6.837 -5.893 10.569 207 HG3 GLU 28 2HG GLU 28 -6.151 -7.501 10.790 208 H LEU 29 H LEU 29 -9.410 -6.730 7.470 209 HA LEU 29 HA LEU 29 -10.896 -5.786 9.746 210 HB2 LEU 29 1HB LEU 29 -11.419 -5.533 6.789 211 HB3 LEU 29 2HB LEU 29 -12.338 -4.714 8.050 212 HG LEU 29 HG LEU 29 -9.395 -4.289 7.542 213 HD11 LEU 29 1HD1 LEU 29 -9.904 -2.890 5.903 214 HD12 LEU 29 2HD1 LEU 29 -11.026 -2.021 6.949 215 HD13 LEU 29 3HD1 LEU 29 -11.587 -3.405 6.012 216 HD21 LEU 29 1HD2 LEU 29 -9.785 -2.272 8.936 217 HD22 LEU 29 2HD2 LEU 29 -10.000 -3.787 9.811 218 HD23 LEU 29 3HD2 LEU 29 -11.409 -2.869 9.279 219 H ARG 30 H ARG 30 -11.437 -8.080 7.105 220 HA ARG 30 HA ARG 30 -14.071 -8.723 7.436 221 HB2 ARG 30 1HB ARG 30 -11.687 -10.399 6.718 222 HB3 ARG 30 2HB ARG 30 -13.281 -11.130 6.844 223 HG2 ARG 30 1HG ARG 30 -14.131 -9.621 5.140 224 HG3 ARG 30 2HG ARG 30 -12.553 -8.836 5.035 225 HD2 ARG 30 1HD ARG 30 -12.717 -10.380 3.224 226 HD3 ARG 30 2HD ARG 30 -11.585 -11.051 4.398 227 HE ARG 30 HE ARG 30 -13.883 -12.211 5.129 228 HH11 ARG 30 1HH1 ARG 30 -12.374 -11.830 2.014 229 HH12 ARG 30 2HH1 ARG 30 -13.037 -13.294 1.369 230 HH21 ARG 30 1HH2 ARG 30 -14.762 -14.141 4.289 231 HH22 ARG 30 2HH2 ARG 30 -14.395 -14.608 2.663 232 H ARG 31 H ARG 31 -11.332 -10.001 9.296 233 HA ARG 31 HA ARG 31 -12.946 -11.681 10.942 234 HB2 ARG 31 1HB ARG 31 -10.921 -11.997 12.267 235 HB3 ARG 31 2HB ARG 31 -10.566 -12.140 10.550 236 HG2 ARG 31 1HG ARG 31 -9.737 -9.809 10.570 237 HG3 ARG 31 2HG ARG 31 -9.996 -9.769 12.315 238 HD2 ARG 31 1HD ARG 31 -8.281 -11.848 10.983 239 HD3 ARG 31 2HD ARG 31 -7.641 -10.292 11.511 240 HE ARG 31 HE ARG 31 -9.064 -11.764 13.545 241 HH11 ARG 31 1HH1 ARG 31 -5.990 -11.147 12.032 242 HH12 ARG 31 2HH1 ARG 31 -5.065 -11.669 13.401 243 HH21 ARG 31 1HH2 ARG 31 -7.857 -12.453 15.353 244 HH22 ARG 31 2HH2 ARG 31 -6.128 -12.412 15.290 245 H ARG 32 H ARG 32 -11.639 -8.424 11.242 246 HA ARG 32 HA ARG 32 -12.106 -7.926 13.922 247 HB2 ARG 32 1HB ARG 32 -12.062 -6.209 11.477 248 HB3 ARG 32 2HB ARG 32 -12.613 -5.507 12.992 249 HG2 ARG 32 1HG ARG 32 -10.398 -6.512 13.934 250 HG3 ARG 32 2HG ARG 32 -9.910 -6.503 12.238 251 HD2 ARG 32 1HD ARG 32 -10.858 -4.033 12.365 252 HD3 ARG 32 2HD ARG 32 -10.471 -4.234 14.074 253 HE ARG 32 HE ARG 32 -8.343 -4.951 12.259 254 HH11 ARG 32 1HH1 ARG 32 -9.815 -2.424 14.148 255 HH12 ARG 32 2HH1 ARG 32 -8.372 -1.468 14.233 256 HH21 ARG 32 1HH2 ARG 32 -6.438 -3.701 12.363 257 HH22 ARG 32 2HH2 ARG 32 -6.452 -2.195 13.216 258 H GLY 33 H GLY 33 -14.354 -7.646 11.191 259 HA2 GLY 33 1HA GLY 33 -16.664 -8.446 11.821 260 HA3 GLY 33 2HA GLY 33 -16.541 -7.298 13.146 261 H LEU 34 H LEU 34 -15.548 -6.908 9.765 262 HA LEU 34 HA LEU 34 -17.630 -4.851 9.461 263 HB2 LEU 34 1HB LEU 34 -14.725 -4.659 8.690 264 HB3 LEU 34 2HB LEU 34 -15.965 -3.548 8.111 265 HG LEU 34 HG LEU 34 -15.312 -3.931 11.028 266 HD11 LEU 34 1HD1 LEU 34 -13.319 -3.069 10.199 267 HD12 LEU 34 2HD1 LEU 34 -14.216 -1.630 10.679 268 HD13 LEU 34 3HD1 LEU 34 -14.134 -2.091 8.979 269 HD21 LEU 34 1HD2 LEU 34 -16.521 -1.866 11.321 270 HD22 LEU 34 2HD2 LEU 34 -17.543 -3.022 10.467 271 HD23 LEU 34 3HD2 LEU 34 -16.757 -1.716 9.580 272 HA PRO 35 HA PRO 35 -18.610 -6.960 5.723 273 HB2 PRO 35 1HB PRO 35 -19.891 -4.953 4.422 274 HB3 PRO 35 2HB PRO 35 -20.607 -5.825 5.783 275 HG2 PRO 35 1HG PRO 35 -19.241 -3.160 5.747 276 HG3 PRO 35 2HG PRO 35 -20.724 -3.647 6.591 277 HD2 PRO 35 1HD PRO 35 -18.329 -3.463 7.841 278 HD3 PRO 35 2HD PRO 35 -19.564 -4.647 8.314 279 H VAL 36 H VAL 36 -16.345 -7.131 5.075 280 HA VAL 36 HA VAL 36 -15.704 -5.282 2.871 281 HB VAL 36 HB VAL 36 -13.255 -5.913 3.421 282 HG11 VAL 36 1HG1 VAL 36 -13.684 -3.683 3.679 283 HG12 VAL 36 2HG1 VAL 36 -15.015 -3.955 4.805 284 HG13 VAL 36 3HG1 VAL 36 -13.347 -4.122 5.353 285 HG21 VAL 36 1HG2 VAL 36 -12.716 -6.673 5.535 286 HG22 VAL 36 2HG2 VAL 36 -14.271 -6.194 6.219 287 HG23 VAL 36 3HG2 VAL 36 -14.165 -7.610 5.172 288 H ALA 37 H ALA 37 -16.049 -6.399 1.061 289 HA ALA 37 HA ALA 37 -15.362 -9.246 0.968 290 HB1 ALA 37 1HB ALA 37 -16.887 -9.504 -0.725 291 HB2 ALA 37 2HB ALA 37 -17.618 -8.176 0.176 292 HB3 ALA 37 3HB ALA 37 -16.702 -7.844 -1.293 293 H ARG 38 H ARG 38 -14.572 -6.153 -0.489 294 HA ARG 38 HA ARG 38 -12.168 -7.353 -1.636 295 HB2 ARG 38 1HB ARG 38 -12.495 -6.233 -3.784 296 HB3 ARG 38 2HB ARG 38 -13.811 -7.353 -3.456 297 HG2 ARG 38 1HG ARG 38 -15.103 -5.342 -2.595 298 HG3 ARG 38 2HG ARG 38 -13.842 -4.356 -3.338 299 HD2 ARG 38 1HD ARG 38 -15.448 -4.472 -5.005 300 HD3 ARG 38 2HD ARG 38 -14.328 -5.756 -5.456 301 HE ARG 38 HE ARG 38 -16.135 -7.071 -3.965 302 HH11 ARG 38 1HH1 ARG 38 -16.465 -4.843 -6.620 303 HH12 ARG 38 2HH1 ARG 38 -17.938 -5.547 -7.199 304 HH21 ARG 38 1HH2 ARG 38 -18.075 -8.008 -4.718 305 HH22 ARG 38 2HH2 ARG 38 -18.854 -7.346 -6.115 306 H VAL 39 H VAL 39 -10.716 -5.550 -2.550 307 HA VAL 39 HA VAL 39 -9.904 -3.865 -0.547 308 HB VAL 39 HB VAL 39 -9.607 -3.366 -3.513 309 HG11 VAL 39 1HG1 VAL 39 -7.605 -2.454 -1.519 310 HG12 VAL 39 2HG1 VAL 39 -8.058 -1.752 -3.073 311 HG13 VAL 39 3HG1 VAL 39 -9.100 -1.532 -1.666 312 HG21 VAL 39 1HG2 VAL 39 -7.669 -4.664 -3.476 313 HG22 VAL 39 2HG2 VAL 39 -7.564 -4.630 -1.716 314 HG23 VAL 39 3HG2 VAL 39 -8.811 -5.595 -2.506 315 H ALA 40 H ALA 40 -11.994 -3.023 -3.301 316 HA ALA 40 HA ALA 40 -12.382 -0.351 -2.876 317 HB1 ALA 40 1HB ALA 40 -13.366 -1.885 -4.684 318 HB2 ALA 40 2HB ALA 40 -14.705 -2.120 -3.559 319 HB3 ALA 40 3HB ALA 40 -14.326 -0.503 -4.154 320 H ASP 41 H ASP 41 -13.889 -3.033 -1.153 321 HA ASP 41 HA ASP 41 -15.667 -1.386 0.364 322 HB2 ASP 41 1HB ASP 41 -14.836 -4.261 0.451 323 HB3 ASP 41 2HB ASP 41 -15.697 -3.573 1.825 324 H ALA 42 H ALA 42 -12.456 -2.731 0.871 325 HA ALA 42 HA ALA 42 -12.321 -1.822 3.610 326 HB1 ALA 42 1HB ALA 42 -9.843 -2.513 3.256 327 HB2 ALA 42 2HB ALA 42 -11.093 -3.758 3.316 328 HB3 ALA 42 3HB ALA 42 -10.443 -3.234 1.762 329 H ILE 43 H ILE 43 -11.829 -0.449 0.555 330 HA ILE 43 HA ILE 43 -9.692 1.239 0.774 331 HB ILE 43 HB ILE 43 -12.320 1.461 -0.587 332 HG12 ILE 43 1HG1 ILE 43 -9.455 1.789 -1.505 333 HG13 ILE 43 2HG1 ILE 43 -10.400 0.308 -1.611 334 HG21 ILE 43 1HG2 ILE 43 -12.349 3.677 0.017 335 HG22 ILE 43 2HG2 ILE 43 -10.591 3.790 0.098 336 HG23 ILE 43 3HG2 ILE 43 -11.401 3.750 -1.468 337 HD11 ILE 43 1HD1 ILE 43 -12.026 1.981 -2.931 338 HD12 ILE 43 2HD1 ILE 43 -10.467 2.725 -3.286 339 HD13 ILE 43 3HD1 ILE 43 -10.754 1.036 -3.706 340 HA PRO 44 HA PRO 44 -12.362 4.528 3.103 341 HB2 PRO 44 1HB PRO 44 -14.777 3.724 4.049 342 HB3 PRO 44 2HB PRO 44 -14.559 4.415 2.437 343 HG2 PRO 44 1HG PRO 44 -14.794 1.543 3.253 344 HG3 PRO 44 2HG PRO 44 -15.538 2.381 1.878 345 HD2 PRO 44 1HD PRO 44 -13.333 0.832 1.620 346 HD3 PRO 44 2HD PRO 44 -13.622 2.260 0.604 347 H TYR 45 H TYR 45 -12.797 1.186 4.194 348 HA TYR 45 HA TYR 45 -12.662 1.854 6.977 349 HB2 TYR 45 1HB TYR 45 -12.281 -0.852 5.682 350 HB3 TYR 45 2HB TYR 45 -12.684 -0.535 7.366 351 HD1 TYR 45 2HD TYR 45 -14.836 1.322 7.334 352 HD2 TYR 45 1HD TYR 45 -14.058 -1.848 4.605 353 HE1 TYR 45 2HE TYR 45 -17.231 1.215 6.784 354 HE2 TYR 45 1HE TYR 45 -16.451 -1.963 4.046 355 HH TYR 45 HH TYR 45 -18.435 -0.390 4.120 356 H CYS 46 H CYS 46 -10.381 2.161 4.758 357 HA CYS 46 HA CYS 46 -8.221 1.238 6.538 358 HB2 CYS 46 1HB CYS 46 -8.479 1.233 3.562 359 HB3 CYS 46 2HB CYS 46 -6.881 1.460 4.264 360 HG CYS 46 HG CYS 46 -8.218 -1.314 3.562 361 H SER 47 H SER 47 -9.310 3.792 4.358 362 HA SER 47 HA SER 47 -7.344 5.586 4.248 363 HB2 SER 47 1HB SER 47 -8.970 7.374 4.290 364 HB3 SER 47 2HB SER 47 -9.702 5.976 3.503 365 HG SER 47 HG SER 47 -10.732 5.504 5.498 366 H SER 48 H SER 48 -9.162 4.828 7.165 367 HA SER 48 HA SER 48 -8.128 6.874 8.800 368 HB2 SER 48 1HB SER 48 -9.063 4.122 9.648 369 HB3 SER 48 2HB SER 48 -8.936 5.549 10.678 370 HG SER 48 HG SER 48 -10.473 5.783 8.369 371 H ASP 49 H ASP 49 -7.247 3.415 8.780 372 HA ASP 49 HA ASP 49 -4.988 3.664 10.403 373 HB2 ASP 49 1HB ASP 49 -5.585 1.623 8.251 374 HB3 ASP 49 2HB ASP 49 -4.307 1.468 9.453 375 H TRP 50 H TRP 50 -5.344 3.903 6.901 376 HA TRP 50 HA TRP 50 -2.642 3.959 6.200 377 HB2 TRP 50 1HB TRP 50 -4.392 3.731 4.526 378 HB3 TRP 50 2HB TRP 50 -4.994 5.345 4.896 379 HD1 TRP 50 HD TRP 50 -4.036 7.273 3.486 380 HE1 TRP 50 1HE TRP 50 -2.113 7.519 1.793 381 HE3 TRP 50 3HE TRP 50 -1.864 2.680 4.053 382 HZ2 TRP 50 2HZ TRP 50 0.040 5.970 0.826 383 HZ3 TRP 50 3HZ TRP 50 0.124 2.141 2.707 384 HH2 TRP 50 HH TRP 50 1.053 3.753 1.127 385 H ALA 51 H ALA 51 -4.817 6.585 7.157 386 HA ALA 51 HA ALA 51 -3.061 8.723 6.712 387 HB1 ALA 51 1HB ALA 51 -4.918 9.807 7.250 388 HB2 ALA 51 2HB ALA 51 -5.627 8.333 7.910 389 HB3 ALA 51 3HB ALA 51 -4.651 9.380 8.940 390 H LEU 52 H LEU 52 -3.129 6.322 9.184 391 HA LEU 52 HA LEU 52 -1.601 7.816 11.106 392 HB2 LEU 52 1HB LEU 52 -2.115 4.850 10.936 393 HB3 LEU 52 2HB LEU 52 -1.470 5.715 12.331 394 HG LEU 52 HG LEU 52 -4.223 6.198 11.203 395 HD11 LEU 52 1HD1 LEU 52 -3.660 3.832 12.142 396 HD12 LEU 52 2HD1 LEU 52 -5.134 4.657 12.646 397 HD13 LEU 52 3HD1 LEU 52 -3.723 4.650 13.703 398 HD21 LEU 52 1HD2 LEU 52 -4.240 6.855 13.847 399 HD22 LEU 52 2HD2 LEU 52 -4.008 7.997 12.523 400 HD23 LEU 52 3HD2 LEU 52 -2.611 7.331 13.369 401 H LEU 53 H LEU 53 -0.931 5.569 8.510 402 HA LEU 53 HA LEU 53 1.642 4.765 9.106 403 HB2 LEU 53 1HB LEU 53 0.173 5.260 6.560 404 HB3 LEU 53 2HB LEU 53 1.901 4.922 6.495 405 HG LEU 53 HG LEU 53 -0.019 3.077 7.888 406 HD11 LEU 53 1HD1 LEU 53 -0.979 2.891 5.838 407 HD12 LEU 53 2HD1 LEU 53 0.377 1.789 5.603 408 HD13 LEU 53 3HD1 LEU 53 0.465 3.439 4.986 409 HD21 LEU 53 1HD2 LEU 53 2.256 1.918 6.549 410 HD22 LEU 53 2HD2 LEU 53 1.782 1.824 8.246 411 HD23 LEU 53 3HD2 LEU 53 2.759 3.178 7.676 412 H ARG 54 H ARG 54 3.712 5.530 8.486 413 HA ARG 54 HA ARG 54 3.888 8.443 8.506 414 HB2 ARG 54 1HB ARG 54 6.138 6.442 8.736 415 HB3 ARG 54 2HB ARG 54 6.187 8.153 9.140 416 HG2 ARG 54 1HG ARG 54 4.369 7.592 10.862 417 HG3 ARG 54 2HG ARG 54 4.851 5.914 10.608 418 HD2 ARG 54 1HD ARG 54 6.969 7.935 11.140 419 HD3 ARG 54 2HD ARG 54 5.960 7.406 12.485 420 HE ARG 54 HE ARG 54 6.894 5.148 11.108 421 HH11 ARG 54 1HH1 ARG 54 8.071 7.724 13.133 422 HH12 ARG 54 2HH1 ARG 54 9.381 6.792 13.780 423 HH21 ARG 54 1HH2 ARG 54 8.614 3.911 11.953 424 HH22 ARG 54 2HH2 ARG 54 9.689 4.624 13.107 425 H GLU 55 H GLU 55 5.548 9.491 7.135 426 HA GLU 55 HA GLU 55 5.081 9.165 4.447 427 HB2 GLU 55 1HB GLU 55 6.121 11.168 5.366 428 HB3 GLU 55 2HB GLU 55 7.569 10.257 5.771 429 HG2 GLU 55 1HG GLU 55 8.173 10.004 3.517 430 HG3 GLU 55 2HG GLU 55 6.578 10.495 2.951 431 H GLU 56 H GLU 56 7.819 7.876 6.315 432 HA GLU 56 HA GLU 56 9.197 6.646 4.245 433 HB2 GLU 56 1HB GLU 56 8.916 5.749 7.118 434 HB3 GLU 56 2HB GLU 56 10.119 5.137 5.990 435 HG2 GLU 56 1HG GLU 56 9.947 8.067 6.496 436 HG3 GLU 56 2HG GLU 56 10.722 7.021 7.684 437 H GLU 57 H GLU 57 6.596 5.340 6.278 438 HA GLU 57 HA GLU 57 6.551 2.754 5.218 439 HB2 GLU 57 1HB GLU 57 4.182 4.320 6.252 440 HB3 GLU 57 2HB GLU 57 4.318 2.571 6.148 441 HG2 GLU 57 1HG GLU 57 5.864 4.413 7.950 442 HG3 GLU 57 2HG GLU 57 4.648 3.225 8.416 443 H LYS 58 H LYS 58 4.508 5.547 4.360 444 HA LYS 58 HA LYS 58 3.041 4.422 2.322 445 HB2 LYS 58 1HB LYS 58 4.134 7.241 2.408 446 HB3 LYS 58 2HB LYS 58 2.779 6.693 1.429 447 HG2 LYS 58 1HG LYS 58 1.690 6.017 3.640 448 HG3 LYS 58 2HG LYS 58 2.933 7.010 4.405 449 HD2 LYS 58 1HD LYS 58 2.138 8.973 3.413 450 HD3 LYS 58 2HD LYS 58 1.226 8.091 2.185 451 HE2 LYS 58 1HE LYS 58 -0.379 7.367 3.809 452 HE3 LYS 58 2HE LYS 58 0.594 8.012 5.131 453 HZ1 LYS 58 1HZ LYS 58 -0.305 9.840 3.020 454 HZ2 LYS 58 2HZ LYS 58 -0.008 10.149 4.655 455 HZ3 LYS 58 3HZ LYS 58 -1.422 9.345 4.190 456 H GLU 59 H GLU 59 6.218 5.999 2.078 457 HA GLU 59 HA GLU 59 6.547 5.749 -0.685 458 HB2 GLU 59 1HB GLU 59 7.973 7.119 0.851 459 HB3 GLU 59 2HB GLU 59 8.736 5.630 1.393 460 HG2 GLU 59 1HG GLU 59 9.588 5.211 -0.822 461 HG3 GLU 59 2HG GLU 59 8.734 6.619 -1.449 462 H LYS 60 H LYS 60 7.522 3.562 1.935 463 HA LYS 60 HA LYS 60 8.839 1.639 0.429 464 HB2 LYS 60 1HB LYS 60 8.963 1.516 2.803 465 HB3 LYS 60 2HB LYS 60 7.214 1.412 2.960 466 HG2 LYS 60 1HG LYS 60 7.339 -0.796 1.774 467 HG3 LYS 60 2HG LYS 60 9.095 -0.690 1.921 468 HD2 LYS 60 1HD LYS 60 8.881 -0.557 4.356 469 HD3 LYS 60 2HD LYS 60 7.125 -0.657 4.210 470 HE2 LYS 60 1HE LYS 60 7.413 -2.864 3.094 471 HE3 LYS 60 2HE LYS 60 9.139 -2.763 3.436 472 HZ1 LYS 60 1HZ LYS 60 7.025 -2.676 5.517 473 HZ2 LYS 60 2HZ LYS 60 8.694 -2.774 5.767 474 HZ3 LYS 60 3HZ LYS 60 7.864 -4.077 5.078 475 H TYR 61 H TYR 61 5.402 1.705 1.368 476 HA TYR 61 HA TYR 61 4.621 -0.620 0.041 477 HB2 TYR 61 1HB TYR 61 3.206 1.830 0.987 478 HB3 TYR 61 2HB TYR 61 2.343 0.734 -0.084 479 HD1 TYR 61 1HD TYR 61 3.938 1.074 3.216 480 HD2 TYR 61 2HD TYR 61 1.604 -1.419 0.679 481 HE1 TYR 61 1HE TYR 61 3.391 -0.360 5.138 482 HE2 TYR 61 2HE TYR 61 1.050 -2.859 2.593 483 HH TYR 61 HH TYR 61 1.962 -3.422 4.798 484 H ALA 62 H ALA 62 4.766 2.725 -1.108 485 HA ALA 62 HA ALA 62 3.622 2.259 -3.644 486 HB1 ALA 62 1HB ALA 62 5.361 4.394 -3.974 487 HB2 ALA 62 2HB ALA 62 3.661 4.479 -3.509 488 HB3 ALA 62 3HB ALA 62 4.914 4.452 -2.269 489 H GLU 63 H GLU 63 6.976 2.241 -2.508 490 HA GLU 63 HA GLU 63 8.227 1.932 -4.992 491 HB2 GLU 63 1HB GLU 63 9.271 2.420 -2.694 492 HB3 GLU 63 2HB GLU 63 9.248 0.678 -2.455 493 HG2 GLU 63 1HG GLU 63 10.514 0.559 -4.683 494 HG3 GLU 63 2HG GLU 63 10.809 2.280 -4.444 495 H MET 64 H MET 64 7.368 -0.566 -2.596 496 HA MET 64 HA MET 64 8.123 -2.775 -4.131 497 HB2 MET 64 1HB MET 64 6.710 -4.094 -2.634 498 HB3 MET 64 2HB MET 64 7.646 -2.911 -1.730 499 HG2 MET 64 1HG MET 64 5.810 -1.672 -1.174 500 HG3 MET 64 2HG MET 64 4.900 -2.184 -2.594 501 HE1 MET 64 1HE MET 64 5.890 -2.556 0.875 502 HE2 MET 64 2HE MET 64 4.142 -2.408 1.066 503 HE3 MET 64 3HE MET 64 4.960 -3.895 1.550 504 H ALA 65 H ALA 65 5.173 -0.884 -4.111 505 HA ALA 65 HA ALA 65 3.585 -2.671 -5.630 506 HB1 ALA 65 1HB ALA 65 1.975 -1.154 -5.326 507 HB2 ALA 65 2HB ALA 65 3.139 -0.310 -4.305 508 HB3 ALA 65 3HB ALA 65 2.954 0.150 -5.998 509 H ARG 66 H ARG 66 5.509 0.178 -6.546 510 HA ARG 66 HA ARG 66 4.928 0.112 -9.289 511 HB2 ARG 66 1HB ARG 66 7.270 1.206 -7.738 512 HB3 ARG 66 2HB ARG 66 7.144 1.371 -9.485 513 HG2 ARG 66 1HG ARG 66 5.094 2.628 -9.259 514 HG3 ARG 66 2HG ARG 66 5.108 2.383 -7.511 515 HD2 ARG 66 1HD ARG 66 7.242 3.834 -9.071 516 HD3 ARG 66 2HD ARG 66 5.928 4.617 -8.194 517 HE ARG 66 HE ARG 66 7.557 2.837 -6.606 518 HH11 ARG 66 1HH1 ARG 66 7.080 6.091 -7.746 519 HH12 ARG 66 2HH1 ARG 66 7.982 6.815 -6.455 520 HH21 ARG 66 1HH2 ARG 66 8.745 3.777 -4.901 521 HH22 ARG 66 2HH2 ARG 66 8.928 5.498 -4.838 522 H GLU 67 H GLU 67 7.644 -1.284 -7.469 523 HA GLU 67 HA GLU 67 9.009 -2.385 -9.652 524 HB2 GLU 67 1HB GLU 67 8.889 -3.367 -6.795 525 HB3 GLU 67 2HB GLU 67 10.073 -3.877 -7.990 526 HG2 GLU 67 1HG GLU 67 9.752 -1.170 -6.738 527 HG3 GLU 67 2HG GLU 67 11.131 -2.263 -6.643 528 H TRP 68 H TRP 68 6.435 -3.706 -7.621 529 HA TRP 68 HA TRP 68 6.446 -6.312 -8.683 530 HB2 TRP 68 1HB TRP 68 5.291 -6.009 -6.646 531 HB3 TRP 68 2HB TRP 68 4.342 -4.671 -7.287 532 HD1 TRP 68 HD TRP 68 4.611 -8.512 -7.576 533 HE1 TRP 68 1HE TRP 68 2.315 -9.425 -8.296 534 HE3 TRP 68 3HE TRP 68 2.180 -4.081 -8.337 535 HZ2 TRP 68 2HZ TRP 68 -0.195 -8.401 -9.083 536 HZ3 TRP 68 3HZ TRP 68 -0.168 -4.135 -9.073 537 HH2 TRP 68 HH TRP 68 -1.329 -6.252 -9.438 538 H ARG 69 H ARG 69 4.611 -3.413 -9.580 539 HA ARG 69 HA ARG 69 3.020 -4.607 -11.564 540 HB2 ARG 69 1HB ARG 69 3.849 -1.818 -10.908 541 HB3 ARG 69 2HB ARG 69 3.121 -2.116 -12.480 542 HG2 ARG 69 1HG ARG 69 1.744 -3.197 -10.084 543 HG3 ARG 69 2HG ARG 69 1.677 -1.458 -10.375 544 HD2 ARG 69 1HD ARG 69 0.861 -3.614 -12.320 545 HD3 ARG 69 2HD ARG 69 -0.235 -2.608 -11.374 546 HE ARG 69 HE ARG 69 1.184 -1.861 -13.766 547 HH11 ARG 69 1HH1 ARG 69 -0.412 -0.720 -10.890 548 HH12 ARG 69 2HH1 ARG 69 -0.756 0.847 -11.545 549 HH21 ARG 69 1HH2 ARG 69 0.739 0.199 -14.639 550 HH22 ARG 69 2HH2 ARG 69 -0.101 1.368 -13.678 551 H ALA 70 H ALA 70 6.220 -3.120 -11.695 552 HA ALA 70 HA ALA 70 6.508 -3.184 -14.506 553 HB1 ALA 70 1HB ALA 70 8.341 -2.039 -14.011 554 HB2 ALA 70 2HB ALA 70 8.045 -2.338 -12.299 555 HB3 ALA 70 3HB ALA 70 9.047 -3.453 -13.229 556 H ALA 71 H ALA 71 7.631 -5.408 -11.964 557 HA ALA 71 HA ALA 71 8.839 -7.261 -13.722 558 HB1 ALA 71 1HB ALA 71 9.299 -8.508 -11.868 559 HB2 ALA 71 2HB ALA 71 8.989 -6.948 -11.104 560 HB3 ALA 71 3HB ALA 71 7.732 -8.186 -11.125 561 H GLN 72 H GLN 72 5.588 -6.986 -12.390 562 HA GLN 72 HA GLN 72 4.676 -9.511 -13.335 563 HB2 GLN 72 1HB GLN 72 3.270 -7.028 -12.376 564 HB3 GLN 72 2HB GLN 72 2.380 -8.426 -12.964 565 HG2 GLN 72 1HG GLN 72 4.236 -8.312 -10.601 566 HG3 GLN 72 2HG GLN 72 2.487 -8.525 -10.581 567 HE21 GLN 72 1HE2 GLN 72 4.864 -10.177 -9.677 568 HE22 GLN 72 2HE2 GLN 72 4.554 -11.745 -10.332 569 H GLY 73 H GLY 73 4.993 -6.360 -14.753 570 HA2 GLY 73 1HA GLY 73 3.212 -6.926 -16.962 571 HA3 GLY 73 2HA GLY 73 4.212 -5.495 -16.766 572 H LYS 74 H LYS 74 6.722 -6.418 -16.624 573 HA LYS 74 HA LYS 74 7.334 -7.036 -19.308 574 HB2 LYS 74 1HB LYS 74 9.041 -7.137 -16.816 575 HB3 LYS 74 2HB LYS 74 9.670 -7.335 -18.446 576 HG2 LYS 74 1HG LYS 74 8.717 -5.065 -18.970 577 HG3 LYS 74 2HG LYS 74 8.409 -4.889 -17.241 578 HD2 LYS 74 1HD LYS 74 10.481 -3.869 -17.516 579 HD3 LYS 74 2HD LYS 74 10.905 -5.492 -16.967 580 HE2 LYS 74 1HE LYS 74 11.563 -6.165 -19.110 581 HE3 LYS 74 2HE LYS 74 10.721 -4.826 -19.887 582 HZ1 LYS 74 1HZ LYS 74 12.624 -3.724 -19.851 583 HZ2 LYS 74 2HZ LYS 74 13.388 -4.945 -18.964 584 HZ3 LYS 74 3HZ LYS 74 12.570 -3.701 -18.160 585 H ASP 75 H ASP 75 6.530 -8.937 -20.058 586 HA ASP 75 HA ASP 75 7.270 -11.392 -18.611 587 HB2 ASP 75 1HB ASP 75 5.449 -12.493 -19.822 588 HB3 ASP 75 2HB ASP 75 4.853 -11.091 -18.939 589 HA PRO 76 HA PRO 76 10.118 -12.369 -21.828 590 HB2 PRO 76 1HB PRO 76 10.316 -15.041 -21.393 591 HB3 PRO 76 2HB PRO 76 11.060 -13.838 -20.333 592 HG2 PRO 76 1HG PRO 76 8.492 -15.337 -19.988 593 HG3 PRO 76 2HG PRO 76 9.751 -14.983 -18.790 594 HD2 PRO 76 1HD PRO 76 7.453 -13.561 -18.953 595 HD3 PRO 76 2HD PRO 76 8.989 -12.836 -18.440 596 H GLY 77 H GLY 77 6.892 -13.165 -21.855 597 HA2 GLY 77 1HA GLY 77 7.008 -14.940 -24.164 598 HA3 GLY 77 2HA GLY 77 5.557 -14.426 -23.315 599 HA PRO 78 HA PRO 78 6.701 -11.732 -27.169 600 HB2 PRO 78 1HB PRO 78 5.782 -13.229 -29.240 601 HB3 PRO 78 2HB PRO 78 7.457 -13.291 -28.679 602 HG2 PRO 78 1HG PRO 78 5.191 -15.156 -28.086 603 HG3 PRO 78 2HG PRO 78 6.879 -15.534 -28.478 604 HD2 PRO 78 1HD PRO 78 5.929 -15.566 -25.943 605 HD3 PRO 78 2HD PRO 78 7.602 -15.117 -26.329 606 H SER 79 H SER 79 4.119 -13.244 -25.704 607 HA SER 79 HA SER 79 1.852 -12.907 -27.088 608 HB2 SER 79 1HB SER 79 1.964 -13.538 -24.683 609 HB3 SER 79 2HB SER 79 2.214 -11.840 -24.277 610 HG SER 79 HG SER 79 0.174 -11.384 -24.837 611 H GLU 80 H GLU 80 3.114 -10.205 -25.126 612 HA GLU 80 HA GLU 80 2.686 -8.327 -27.265 613 HB2 GLU 80 1HB GLU 80 0.841 -8.442 -24.898 614 HB3 GLU 80 2HB GLU 80 1.161 -6.916 -25.709 615 HG2 GLU 80 1HG GLU 80 0.505 -8.209 -27.856 616 HG3 GLU 80 2HG GLU 80 -0.246 -9.340 -26.732 617 H LYS 81 H LYS 81 3.254 -6.082 -26.580 618 HA LYS 81 HA LYS 81 5.429 -6.198 -24.614 619 HB2 LYS 81 1HB LYS 81 6.158 -5.486 -26.788 620 HB3 LYS 81 2HB LYS 81 4.867 -4.296 -26.892 621 HG2 LYS 81 1HG LYS 81 6.871 -4.111 -24.689 622 HG3 LYS 81 2HG LYS 81 7.290 -3.555 -26.310 623 HD2 LYS 81 1HD LYS 81 5.064 -2.247 -26.184 624 HD3 LYS 81 2HD LYS 81 5.179 -2.527 -24.446 625 HE2 LYS 81 1HE LYS 81 6.201 -0.453 -24.745 626 HE3 LYS 81 2HE LYS 81 7.555 -1.579 -24.653 627 HZ1 LYS 81 1HZ LYS 81 7.881 -1.471 -26.957 628 HZ2 LYS 81 2HZ LYS 81 7.628 0.134 -26.487 629 HZ3 LYS 81 3HZ LYS 81 6.384 -0.733 -27.237 630 H GLN 82 H GLN 82 2.735 -4.108 -25.627 631 HA GLN 82 HA GLN 82 2.963 -2.544 -23.190 632 HB2 GLN 82 1HB GLN 82 1.159 -1.184 -24.142 633 HB3 GLN 82 2HB GLN 82 2.479 -1.387 -25.287 634 HG2 GLN 82 1HG GLN 82 1.251 -2.914 -26.590 635 HG3 GLN 82 2HG GLN 82 0.029 -3.117 -25.336 636 HE21 GLN 82 1HE2 GLN 82 1.454 -0.673 -27.461 637 HE22 GLN 82 2HE2 GLN 82 -0.007 0.216 -27.710 638 H LYS 83 H LYS 83 1.231 -2.276 -21.695 639 HA LYS 83 HA LYS 83 -0.068 -4.730 -21.032 640 HB2 LYS 83 1HB LYS 83 -0.840 -3.615 -19.076 641 HB3 LYS 83 2HB LYS 83 0.790 -3.028 -19.381 642 HG2 LYS 83 1HG LYS 83 -0.230 -1.033 -20.493 643 HG3 LYS 83 2HG LYS 83 -1.802 -1.602 -19.926 644 HD2 LYS 83 1HD LYS 83 -1.336 -1.124 -17.736 645 HD3 LYS 83 2HD LYS 83 0.401 -1.352 -17.943 646 HE2 LYS 83 1HE LYS 83 0.288 0.766 -19.400 647 HE3 LYS 83 2HE LYS 83 -1.289 1.022 -18.656 648 HZ1 LYS 83 1HZ LYS 83 -0.139 2.050 -17.065 649 HZ2 LYS 83 2HZ LYS 83 1.338 1.385 -17.549 650 HZ3 LYS 83 3HZ LYS 83 0.308 0.506 -16.536 651 HA PRO 84 HA PRO 84 -3.831 -4.203 -23.267 652 HB2 PRO 84 1HB PRO 84 -5.389 -5.906 -21.838 653 HB3 PRO 84 2HB PRO 84 -4.144 -6.459 -22.964 654 HG2 PRO 84 1HG PRO 84 -4.025 -6.208 -19.983 655 HG3 PRO 84 2HG PRO 84 -3.433 -7.519 -21.020 656 HD2 PRO 84 1HD PRO 84 -1.799 -5.615 -20.000 657 HD3 PRO 84 2HD PRO 84 -1.510 -6.376 -21.577 658 H VAL 85 H VAL 85 -4.949 -2.363 -23.094 659 HA VAL 85 HA VAL 85 -6.463 -1.880 -20.619 660 HB VAL 85 HB VAL 85 -4.464 -0.412 -20.644 661 HG11 VAL 85 1HG1 VAL 85 -5.696 1.001 -22.989 662 HG12 VAL 85 2HG1 VAL 85 -4.090 1.216 -22.291 663 HG13 VAL 85 3HG1 VAL 85 -4.473 -0.252 -23.192 664 HG21 VAL 85 1HG2 VAL 85 -7.016 0.216 -19.971 665 HG22 VAL 85 2HG2 VAL 85 -5.620 1.246 -19.656 666 HG23 VAL 85 3HG2 VAL 85 -6.624 1.533 -21.077 667 H PHE 86 H PHE 86 -8.549 -1.445 -20.948 668 HA PHE 86 HA PHE 86 -9.445 -1.014 -23.708 669 HB2 PHE 86 1HB PHE 86 -10.742 -2.160 -21.259 670 HB3 PHE 86 2HB PHE 86 -11.740 -1.532 -22.567 671 HD1 PHE 86 2HD PHE 86 -10.816 -2.374 -24.988 672 HD2 PHE 86 1HD PHE 86 -10.412 -4.418 -21.276 673 HE1 PHE 86 2HE PHE 86 -10.579 -4.506 -26.191 674 HE2 PHE 86 1HE PHE 86 -10.172 -6.553 -22.475 675 HZ PHE 86 HZ PHE 86 -10.256 -6.599 -24.936 676 H THR 87 H THR 87 -10.137 0.916 -24.331 677 HA THR 87 HA THR 87 -10.639 2.962 -22.296 678 HB THR 87 HB THR 87 -10.427 4.593 -24.110 679 HG1 THR 87 1HG THR 87 -10.123 2.264 -25.720 680 HG21 THR 87 1HG2 THR 87 -8.020 3.853 -24.852 681 HG22 THR 87 2HG2 THR 87 -8.274 2.572 -23.666 682 HG23 THR 87 3HG2 THR 87 -8.349 4.262 -23.168 683 H SER 88 H SER 88 -12.730 2.675 -21.650 684 HA SER 88 HA SER 88 -14.886 2.007 -23.323 685 HB2 SER 88 1HB SER 88 -14.980 3.533 -20.711 686 HB3 SER 88 2HB SER 88 -16.316 2.661 -21.460 687 HG SER 88 HG SER 88 -15.537 0.845 -20.728 688 H GLY 89 H GLY 89 -16.676 3.323 -24.007 689 HA2 GLY 89 1HA GLY 89 -17.671 5.463 -24.420 690 HA3 GLY 89 2HA GLY 89 -16.082 6.195 -24.251 691 HA PRO 90 HA PRO 90 -17.026 5.919 -28.768 692 HB2 PRO 90 1HB PRO 90 -16.126 8.415 -29.339 693 HB3 PRO 90 2HB PRO 90 -17.777 8.090 -28.799 694 HG2 PRO 90 1HG PRO 90 -15.424 9.063 -27.222 695 HG3 PRO 90 2HG PRO 90 -17.109 9.613 -27.172 696 HD2 PRO 90 1HD PRO 90 -16.070 7.927 -25.326 697 HD3 PRO 90 2HD PRO 90 -17.771 7.861 -25.828 698 H SER 91 H SER 91 -15.535 6.043 -30.581 699 HA SER 91 HA SER 91 -12.921 5.104 -29.865 700 HB2 SER 91 1HB SER 91 -14.397 4.375 -31.869 701 HB3 SER 91 2HB SER 91 -13.759 5.813 -32.667 702 HG SER 91 HG SER 91 -11.883 4.196 -31.438 703 H SER 92 H SER 92 -14.156 7.943 -31.618 704 HA SER 92 HA SER 92 -13.172 9.919 -32.197 705 HB2 SER 92 1HB SER 92 -12.017 9.448 -29.445 706 HB3 SER 92 2HB SER 92 -11.807 10.958 -30.332 707 HG SER 92 HG SER 92 -14.223 10.869 -30.482 708 H GLY 93 H GLY 93 -11.910 7.748 -33.375 709 HA2 GLY 93 1HA GLY 93 -9.573 8.808 -34.371 710 HA3 GLY 93 2HA GLY 93 -9.077 7.828 -32.999 Start of MODEL 11 1 H1 GLY 1 H GLY 1 23.441 -1.930 -1.855 2 HA2 GLY 1 1HA GLY 1 20.557 -1.847 -1.429 3 HA3 GLY 1 2HA GLY 1 21.539 -0.588 -2.163 4 H SER 2 H SER 2 19.804 -3.562 -2.701 5 HA SER 2 HA SER 2 20.490 -4.129 -5.325 6 HB2 SER 2 1HB SER 2 18.014 -4.572 -3.698 7 HB3 SER 2 2HB SER 2 17.990 -4.942 -5.422 8 HG SER 2 HG SER 2 19.109 -6.667 -5.024 9 H SER 3 H SER 3 20.557 -2.716 -6.944 10 HA SER 3 HA SER 3 18.149 -1.370 -7.770 11 HB2 SER 3 1HB SER 3 20.529 0.184 -6.760 12 HB3 SER 3 2HB SER 3 19.359 0.883 -7.879 13 HG SER 3 HG SER 3 19.168 0.739 -5.268 14 H GLY 4 H GLY 4 18.077 -1.204 -9.935 15 HA2 GLY 4 1HA GLY 4 20.539 -1.877 -11.404 16 HA3 GLY 4 2HA GLY 4 18.903 -2.140 -11.989 17 H SER 5 H SER 5 17.823 -0.506 -13.032 18 HA SER 5 HA SER 5 19.163 2.090 -13.262 19 HB2 SER 5 1HB SER 5 18.932 2.088 -15.695 20 HB3 SER 5 2HB SER 5 19.901 0.708 -15.180 21 HG SER 5 HG SER 5 18.512 -0.352 -16.364 22 H SER 6 H SER 6 17.698 3.613 -14.625 23 HA SER 6 HA SER 6 15.113 3.603 -13.336 24 HB2 SER 6 1HB SER 6 14.842 5.828 -14.322 25 HB3 SER 6 2HB SER 6 16.418 5.690 -13.541 26 HG SER 6 HG SER 6 17.036 4.995 -15.849 27 H GLY 7 H GLY 7 13.095 3.728 -14.420 28 HA2 GLY 7 1HA GLY 7 13.136 2.399 -17.053 29 HA3 GLY 7 2HA GLY 7 11.840 2.249 -15.876 30 H MET 8 H MET 8 10.063 3.204 -16.589 31 HA MET 8 HA MET 8 10.301 5.882 -17.777 32 HB2 MET 8 1HB MET 8 9.942 4.309 -19.604 33 HB3 MET 8 2HB MET 8 8.543 3.636 -18.778 34 HG2 MET 8 1HG MET 8 7.566 5.992 -18.897 35 HG3 MET 8 2HG MET 8 8.841 6.320 -20.069 36 HE1 MET 8 1HE MET 8 6.786 7.101 -21.445 37 HE2 MET 8 2HE MET 8 7.901 6.369 -22.600 38 HE3 MET 8 3HE MET 8 6.174 6.026 -22.702 39 HA PRO 9 HA PRO 9 7.264 6.968 -14.774 40 HB2 PRO 9 1HB PRO 9 6.368 9.265 -15.909 41 HB3 PRO 9 2HB PRO 9 7.937 9.140 -15.106 42 HG2 PRO 9 1HG PRO 9 7.290 9.032 -18.027 43 HG3 PRO 9 2HG PRO 9 8.613 9.878 -17.204 44 HD2 PRO 9 1HD PRO 9 8.961 7.508 -18.466 45 HD3 PRO 9 2HD PRO 9 9.891 7.969 -17.026 46 H ASN 10 H ASN 10 5.283 6.176 -14.483 47 HA ASN 10 HA ASN 10 3.551 5.807 -16.824 48 HB2 ASN 10 1HB ASN 10 3.623 4.470 -14.119 49 HB3 ASN 10 2HB ASN 10 2.284 4.262 -15.242 50 HD21 ASN 10 1HD2 ASN 10 5.733 3.795 -14.805 51 HD22 ASN 10 2HD2 ASN 10 5.894 2.513 -15.952 52 H ARG 11 H ARG 11 1.205 6.106 -16.492 53 HA ARG 11 HA ARG 11 0.510 8.049 -14.419 54 HB2 ARG 11 1HB ARG 11 0.168 8.472 -17.388 55 HB3 ARG 11 2HB ARG 11 -0.720 9.394 -16.180 56 HG2 ARG 11 1HG ARG 11 1.236 10.416 -15.369 57 HG3 ARG 11 2HG ARG 11 2.278 9.267 -16.213 58 HD2 ARG 11 1HD ARG 11 2.305 11.368 -17.388 59 HD3 ARG 11 2HD ARG 11 1.457 10.170 -18.365 60 HE ARG 11 HE ARG 11 -0.329 11.688 -16.739 61 HH11 ARG 11 1HH1 ARG 11 1.514 11.748 -19.692 62 HH12 ARG 11 2HH1 ARG 11 0.467 12.883 -20.476 63 HH21 ARG 11 1HH2 ARG 11 -1.716 13.182 -17.761 64 HH22 ARG 11 2HH2 ARG 11 -1.370 13.699 -19.376 65 H LYS 12 H LYS 12 -1.915 8.482 -14.453 66 HA LYS 12 HA LYS 12 -3.963 7.571 -14.006 67 HB2 LYS 12 1HB LYS 12 -3.342 6.815 -16.832 68 HB3 LYS 12 2HB LYS 12 -4.809 6.192 -16.088 69 HG2 LYS 12 1HG LYS 12 -5.509 8.498 -15.591 70 HG3 LYS 12 2HG LYS 12 -4.064 9.092 -16.411 71 HD2 LYS 12 1HD LYS 12 -4.813 8.383 -18.503 72 HD3 LYS 12 2HD LYS 12 -5.978 7.255 -17.807 73 HE2 LYS 12 1HE LYS 12 -7.271 9.188 -16.957 74 HE3 LYS 12 2HE LYS 12 -6.137 10.268 -17.766 75 HZ1 LYS 12 1HZ LYS 12 -7.853 10.082 -19.277 76 HZ2 LYS 12 2HZ LYS 12 -8.121 8.443 -18.955 77 HZ3 LYS 12 3HZ LYS 12 -6.765 8.918 -19.847 78 H ALA 13 H ALA 13 -2.006 6.120 -12.755 79 HA ALA 13 HA ALA 13 -2.156 3.330 -13.328 80 HB1 ALA 13 1HB ALA 13 -0.286 4.526 -12.112 81 HB2 ALA 13 2HB ALA 13 -1.343 4.541 -10.699 82 HB3 ALA 13 3HB ALA 13 -0.832 3.007 -11.401 83 H SER 14 H SER 14 -3.141 1.693 -12.039 84 HA SER 14 HA SER 14 -5.657 2.590 -10.823 85 HB2 SER 14 1HB SER 14 -4.839 -0.122 -11.892 86 HB3 SER 14 2HB SER 14 -6.399 0.236 -11.154 87 HG SER 14 HG SER 14 -5.896 0.438 -13.640 88 H ARG 15 H ARG 15 -2.909 0.424 -10.275 89 HA ARG 15 HA ARG 15 -3.735 0.146 -7.468 90 HB2 ARG 15 1HB ARG 15 -1.812 -1.488 -9.132 91 HB3 ARG 15 2HB ARG 15 -2.099 -1.740 -7.415 92 HG2 ARG 15 1HG ARG 15 -4.191 -2.616 -7.751 93 HG3 ARG 15 2HG ARG 15 -4.415 -1.774 -9.285 94 HD2 ARG 15 1HD ARG 15 -2.540 -3.267 -10.171 95 HD3 ARG 15 2HD ARG 15 -2.783 -4.230 -8.714 96 HE ARG 15 HE ARG 15 -5.271 -3.917 -9.885 97 HH11 ARG 15 1HH1 ARG 15 -2.203 -5.343 -10.702 98 HH12 ARG 15 2HH1 ARG 15 -2.894 -6.565 -11.717 99 HH21 ARG 15 1HH2 ARG 15 -6.194 -5.521 -11.219 100 HH22 ARG 15 2HH2 ARG 15 -5.164 -6.665 -12.011 101 H ASN 16 H ASN 16 -2.580 1.048 -5.879 102 HA ASN 16 HA ASN 16 0.181 1.865 -6.379 103 HB2 ASN 16 1HB ASN 16 -1.556 3.757 -6.828 104 HB3 ASN 16 2HB ASN 16 -1.682 3.823 -5.072 105 HD21 ASN 16 1HD2 ASN 16 0.760 3.771 -7.641 106 HD22 ASN 16 2HD2 ASN 16 1.824 4.905 -6.888 107 H ALA 17 H ALA 17 0.987 2.977 -4.191 108 HA ALA 17 HA ALA 17 1.372 1.092 -2.301 109 HB1 ALA 17 1HB ALA 17 1.082 4.056 -1.836 110 HB2 ALA 17 2HB ALA 17 1.773 2.923 -0.675 111 HB3 ALA 17 3HB ALA 17 2.561 3.179 -2.231 112 H TYR 18 H TYR 18 -1.312 3.423 -2.302 113 HA TYR 18 HA TYR 18 -2.506 2.673 0.095 114 HB2 TYR 18 1HB TYR 18 -3.107 4.658 -1.337 115 HB3 TYR 18 2HB TYR 18 -3.991 3.554 -2.386 116 HD1 TYR 18 2HD TYR 18 -3.751 4.081 1.314 117 HD2 TYR 18 1HD TYR 18 -6.268 3.679 -2.093 118 HE1 TYR 18 2HE TYR 18 -5.730 4.304 2.758 119 HE2 TYR 18 1HE TYR 18 -8.254 3.903 -0.659 120 HH TYR 18 HH TYR 18 -7.958 4.167 2.861 121 H TYR 19 H TYR 19 -3.265 1.522 -3.191 122 HA TYR 19 HA TYR 19 -5.232 -0.312 -2.544 123 HB2 TYR 19 1HB TYR 19 -4.708 0.300 -4.849 124 HB3 TYR 19 2HB TYR 19 -3.148 -0.503 -4.728 125 HD1 TYR 19 1HD TYR 19 -2.991 -2.934 -4.756 126 HD2 TYR 19 2HD TYR 19 -6.755 -0.978 -5.092 127 HE1 TYR 19 1HE TYR 19 -4.006 -5.035 -5.532 128 HE2 TYR 19 2HE TYR 19 -7.781 -3.075 -5.868 129 HH TYR 19 HH TYR 19 -7.065 -5.728 -5.480 130 H PHE 20 H PHE 20 -1.724 -0.840 -2.762 131 HA PHE 20 HA PHE 20 -1.696 -3.561 -2.170 132 HB2 PHE 20 1HB PHE 20 0.278 -1.340 -1.928 133 HB3 PHE 20 2HB PHE 20 0.643 -2.858 -1.114 134 HD1 PHE 20 2HD PHE 20 -0.608 -1.699 -4.436 135 HD2 PHE 20 1HD PHE 20 1.902 -4.374 -2.276 136 HE1 PHE 20 2HE PHE 20 0.217 -2.632 -6.557 137 HE2 PHE 20 1HE PHE 20 2.732 -5.311 -4.394 138 HZ PHE 20 HZ PHE 20 1.889 -4.442 -6.538 139 H PHE 21 H PHE 21 -1.736 -0.761 -0.023 140 HA PHE 21 HA PHE 21 -1.388 -2.230 2.383 141 HB2 PHE 21 1HB PHE 21 -0.874 0.111 2.393 142 HB3 PHE 21 2HB PHE 21 -2.491 0.528 1.836 143 HD1 PHE 21 1HD PHE 21 -0.589 -0.841 4.695 144 HD2 PHE 21 2HD PHE 21 -4.247 0.873 3.353 145 HE1 PHE 21 1HE PHE 21 -1.322 -0.587 7.030 146 HE2 PHE 21 2HE PHE 21 -4.986 1.129 5.685 147 HZ PHE 21 HZ PHE 21 -3.523 0.400 7.527 148 H VAL 22 H VAL 22 -4.278 -0.726 0.933 149 HA VAL 22 HA VAL 22 -6.141 -1.660 2.781 150 HB VAL 22 HB VAL 22 -6.471 -1.023 -0.148 151 HG11 VAL 22 1HG1 VAL 22 -8.225 -2.577 0.580 152 HG12 VAL 22 2HG1 VAL 22 -8.632 -1.486 1.906 153 HG13 VAL 22 3HG1 VAL 22 -8.871 -0.974 0.235 154 HG21 VAL 22 1HG2 VAL 22 -7.523 0.599 2.128 155 HG22 VAL 22 2HG2 VAL 22 -5.824 0.725 1.674 156 HG23 VAL 22 3HG2 VAL 22 -7.081 1.108 0.499 157 H GLN 23 H GLN 23 -4.802 -3.203 -0.087 158 HA GLN 23 HA GLN 23 -6.576 -5.404 -0.155 159 HB2 GLN 23 1HB GLN 23 -4.935 -4.568 -1.964 160 HB3 GLN 23 2HB GLN 23 -3.727 -5.520 -1.111 161 HG2 GLN 23 1HG GLN 23 -4.925 -7.537 -1.510 162 HG3 GLN 23 2HG GLN 23 -6.314 -6.653 -2.139 163 HE21 GLN 23 1HE2 GLN 23 -6.453 -7.159 -4.212 164 HE22 GLN 23 2HE2 GLN 23 -5.162 -7.092 -5.357 165 H GLU 24 H GLU 24 -3.560 -4.799 1.540 166 HA GLU 24 HA GLU 24 -3.357 -7.512 2.508 167 HB2 GLU 24 1HB GLU 24 -1.815 -5.014 3.228 168 HB3 GLU 24 2HB GLU 24 -1.447 -6.622 3.833 169 HG2 GLU 24 1HG GLU 24 -0.644 -7.353 1.812 170 HG3 GLU 24 2HG GLU 24 -1.580 -6.176 0.892 171 H LYS 25 H LYS 25 -5.510 -5.271 3.199 172 HA LYS 25 HA LYS 25 -5.537 -5.860 6.088 173 HB2 LYS 25 1HB LYS 25 -6.538 -3.434 4.596 174 HB3 LYS 25 2HB LYS 25 -6.941 -3.766 6.276 175 HG2 LYS 25 1HG LYS 25 -4.087 -3.643 5.389 176 HG3 LYS 25 2HG LYS 25 -4.991 -2.170 5.748 177 HD2 LYS 25 1HD LYS 25 -5.437 -2.942 7.994 178 HD3 LYS 25 2HD LYS 25 -4.670 -4.493 7.647 179 HE2 LYS 25 1HE LYS 25 -2.556 -3.219 7.169 180 HE3 LYS 25 2HE LYS 25 -3.363 -1.783 7.794 181 HZ1 LYS 25 1HZ LYS 25 -1.987 -2.924 9.463 182 HZ2 LYS 25 2HZ LYS 25 -2.970 -4.294 9.329 183 HZ3 LYS 25 3HZ LYS 25 -3.616 -2.845 9.916 184 H ILE 26 H ILE 26 -7.220 -6.039 3.094 185 HA ILE 26 HA ILE 26 -9.855 -6.137 3.617 186 HB ILE 26 HB ILE 26 -8.128 -7.776 1.854 187 HG12 ILE 26 1HG1 ILE 26 -10.714 -6.329 1.275 188 HG13 ILE 26 2HG1 ILE 26 -9.153 -5.516 1.312 189 HG21 ILE 26 1HG2 ILE 26 -10.111 -9.081 1.076 190 HG22 ILE 26 2HG2 ILE 26 -9.528 -9.524 2.681 191 HG23 ILE 26 3HG2 ILE 26 -10.970 -8.522 2.512 192 HD11 ILE 26 1HD1 ILE 26 -9.706 -7.868 -0.465 193 HD12 ILE 26 2HD1 ILE 26 -10.013 -6.201 -0.953 194 HD13 ILE 26 3HD1 ILE 26 -8.374 -6.716 -0.554 195 HA PRO 27 HA PRO 27 -9.666 -10.611 5.431 196 HB2 PRO 27 1HB PRO 27 -7.211 -11.628 5.987 197 HB3 PRO 27 2HB PRO 27 -8.002 -11.829 4.419 198 HG2 PRO 27 1HG PRO 27 -5.890 -9.871 5.238 199 HG3 PRO 27 2HG PRO 27 -6.017 -10.822 3.745 200 HD2 PRO 27 1HD PRO 27 -6.729 -8.212 3.876 201 HD3 PRO 27 2HD PRO 27 -7.540 -9.371 2.801 202 H GLU 28 H GLU 28 -7.431 -8.146 6.458 203 HA GLU 28 HA GLU 28 -7.225 -8.978 9.177 204 HB2 GLU 28 1HB GLU 28 -5.594 -7.479 8.002 205 HB3 GLU 28 2HB GLU 28 -6.803 -6.205 8.055 206 HG2 GLU 28 1HG GLU 28 -6.784 -6.269 10.487 207 HG3 GLU 28 2HG GLU 28 -5.593 -7.567 10.450 208 H LEU 29 H LEU 29 -9.474 -7.024 7.371 209 HA LEU 29 HA LEU 29 -10.744 -5.945 9.735 210 HB2 LEU 29 1HB LEU 29 -11.669 -5.865 6.868 211 HB3 LEU 29 2HB LEU 29 -12.279 -4.883 8.198 212 HG LEU 29 HG LEU 29 -9.427 -4.718 7.260 213 HD11 LEU 29 1HD1 LEU 29 -11.768 -3.068 6.320 214 HD12 LEU 29 2HD1 LEU 29 -10.880 -4.246 5.354 215 HD13 LEU 29 3HD1 LEU 29 -10.072 -2.786 5.926 216 HD21 LEU 29 1HD2 LEU 29 -9.932 -3.817 9.477 217 HD22 LEU 29 2HD2 LEU 29 -11.202 -2.811 8.780 218 HD23 LEU 29 3HD2 LEU 29 -9.517 -2.534 8.339 219 H ARG 30 H ARG 30 -11.488 -8.345 7.236 220 HA ARG 30 HA ARG 30 -14.052 -9.038 7.818 221 HB2 ARG 30 1HB ARG 30 -11.723 -10.840 7.150 222 HB3 ARG 30 2HB ARG 30 -13.388 -11.402 7.204 223 HG2 ARG 30 1HG ARG 30 -13.849 -9.498 5.526 224 HG3 ARG 30 2HG ARG 30 -12.101 -9.511 5.282 225 HD2 ARG 30 1HD ARG 30 -12.897 -10.959 3.639 226 HD3 ARG 30 2HD ARG 30 -12.371 -12.039 4.930 227 HE ARG 30 HE ARG 30 -15.145 -11.336 5.108 228 HH11 ARG 30 1HH1 ARG 30 -12.843 -13.484 3.621 229 HH12 ARG 30 2HH1 ARG 30 -14.002 -14.741 3.338 230 HH21 ARG 30 1HH2 ARG 30 -16.679 -12.983 4.741 231 HH22 ARG 30 2HH2 ARG 30 -16.184 -14.454 3.974 232 H ARG 31 H ARG 31 -11.162 -9.956 9.625 233 HA ARG 31 HA ARG 31 -12.570 -11.662 11.445 234 HB2 ARG 31 1HB ARG 31 -10.468 -11.759 12.674 235 HB3 ARG 31 2HB ARG 31 -10.183 -11.981 10.953 236 HG2 ARG 31 1HG ARG 31 -9.163 -9.922 10.719 237 HG3 ARG 31 2HG ARG 31 -9.926 -9.267 12.169 238 HD2 ARG 31 1HD ARG 31 -8.059 -11.572 12.439 239 HD3 ARG 31 2HD ARG 31 -7.389 -9.966 12.161 240 HE ARG 31 HE ARG 31 -9.249 -9.795 14.242 241 HH11 ARG 31 1HH1 ARG 31 -6.142 -11.217 13.574 242 HH12 ARG 31 2HH1 ARG 31 -5.614 -11.156 15.223 243 HH21 ARG 31 1HH2 ARG 31 -8.565 -9.708 16.416 244 HH22 ARG 31 2HH2 ARG 31 -6.993 -10.299 16.839 245 H ARG 32 H ARG 32 -11.701 -8.285 11.337 246 HA ARG 32 HA ARG 32 -12.045 -7.662 14.060 247 HB2 ARG 32 1HB ARG 32 -12.223 -6.037 11.534 248 HB3 ARG 32 2HB ARG 32 -12.552 -5.319 13.105 249 HG2 ARG 32 1HG ARG 32 -10.212 -6.419 13.683 250 HG3 ARG 32 2HG ARG 32 -9.993 -6.252 11.939 251 HD2 ARG 32 1HD ARG 32 -10.362 -3.897 12.045 252 HD3 ARG 32 2HD ARG 32 -10.872 -3.996 13.729 253 HE ARG 32 HE ARG 32 -8.188 -4.923 13.265 254 HH11 ARG 32 1HH1 ARG 32 -10.199 -2.162 13.940 255 HH12 ARG 32 2HH1 ARG 32 -8.917 -1.237 14.649 256 HH21 ARG 32 1HH2 ARG 32 -6.492 -3.716 14.197 257 HH22 ARG 32 2HH2 ARG 32 -6.809 -2.121 14.794 258 H GLY 33 H GLY 33 -14.315 -7.681 11.338 259 HA2 GLY 33 1HA GLY 33 -16.588 -8.501 11.969 260 HA3 GLY 33 2HA GLY 33 -16.506 -7.349 13.292 261 H LEU 34 H LEU 34 -15.569 -6.950 9.894 262 HA LEU 34 HA LEU 34 -17.711 -4.953 9.610 263 HB2 LEU 34 1HB LEU 34 -14.864 -4.672 8.658 264 HB3 LEU 34 2HB LEU 34 -16.172 -3.541 8.317 265 HG LEU 34 HG LEU 34 -15.295 -4.145 11.128 266 HD11 LEU 34 1HD1 LEU 34 -13.288 -3.388 10.199 267 HD12 LEU 34 2HD1 LEU 34 -14.025 -1.940 10.881 268 HD13 LEU 34 3HD1 LEU 34 -14.104 -2.234 9.144 269 HD21 LEU 34 1HD2 LEU 34 -16.365 -1.535 10.203 270 HD22 LEU 34 2HD2 LEU 34 -16.585 -2.371 11.740 271 HD23 LEU 34 3HD2 LEU 34 -17.487 -2.892 10.316 272 HA PRO 35 HA PRO 35 -18.693 -7.130 5.912 273 HB2 PRO 35 1HB PRO 35 -20.075 -5.178 4.626 274 HB3 PRO 35 2HB PRO 35 -20.728 -6.068 6.007 275 HG2 PRO 35 1HG PRO 35 -19.464 -3.355 5.927 276 HG3 PRO 35 2HG PRO 35 -20.908 -3.891 6.805 277 HD2 PRO 35 1HD PRO 35 -18.497 -3.611 8.003 278 HD3 PRO 35 2HD PRO 35 -19.677 -4.837 8.509 279 H VAL 36 H VAL 36 -16.432 -7.214 5.222 280 HA VAL 36 HA VAL 36 -15.871 -5.309 3.042 281 HB VAL 36 HB VAL 36 -13.409 -6.106 3.510 282 HG11 VAL 36 1HG1 VAL 36 -15.035 -3.984 4.809 283 HG12 VAL 36 2HG1 VAL 36 -13.382 -4.230 5.373 284 HG13 VAL 36 3HG1 VAL 36 -13.688 -3.845 3.679 285 HG21 VAL 36 1HG2 VAL 36 -14.288 -6.144 6.345 286 HG22 VAL 36 2HG2 VAL 36 -14.508 -7.616 5.398 287 HG23 VAL 36 3HG2 VAL 36 -12.899 -6.916 5.578 288 H ALA 37 H ALA 37 -16.107 -6.263 1.139 289 HA ALA 37 HA ALA 37 -15.564 -9.141 0.902 290 HB1 ALA 37 1HB ALA 37 -17.275 -7.247 -0.667 291 HB2 ALA 37 2HB ALA 37 -16.771 -8.795 -1.347 292 HB3 ALA 37 3HB ALA 37 -17.725 -8.752 0.135 293 H ARG 38 H ARG 38 -14.714 -5.999 -0.426 294 HA ARG 38 HA ARG 38 -12.320 -7.185 -1.600 295 HB2 ARG 38 1HB ARG 38 -12.631 -6.207 -3.752 296 HB3 ARG 38 2HB ARG 38 -14.106 -7.086 -3.372 297 HG2 ARG 38 1HG ARG 38 -15.355 -5.185 -3.174 298 HG3 ARG 38 2HG ARG 38 -13.974 -4.196 -2.698 299 HD2 ARG 38 1HD ARG 38 -14.570 -3.497 -4.877 300 HD3 ARG 38 2HD ARG 38 -13.116 -4.478 -5.054 301 HE ARG 38 HE ARG 38 -15.324 -6.151 -5.380 302 HH11 ARG 38 1HH1 ARG 38 -13.809 -3.453 -6.976 303 HH12 ARG 38 2HH1 ARG 38 -14.344 -3.920 -8.556 304 HH21 ARG 38 1HH2 ARG 38 -16.034 -6.776 -7.456 305 HH22 ARG 38 2HH2 ARG 38 -15.610 -5.809 -8.828 306 H VAL 39 H VAL 39 -11.069 -5.180 -2.710 307 HA VAL 39 HA VAL 39 -10.142 -3.594 -0.629 308 HB VAL 39 HB VAL 39 -10.002 -2.995 -3.588 309 HG11 VAL 39 1HG1 VAL 39 -7.922 -2.083 -1.681 310 HG12 VAL 39 2HG1 VAL 39 -8.498 -1.338 -3.174 311 HG13 VAL 39 3HG1 VAL 39 -9.454 -1.209 -1.696 312 HG21 VAL 39 1HG2 VAL 39 -7.545 -3.914 -2.815 313 HG22 VAL 39 2HG2 VAL 39 -8.635 -4.922 -1.863 314 HG23 VAL 39 3HG2 VAL 39 -8.784 -4.877 -3.619 315 H ALA 40 H ALA 40 -12.221 -2.579 -3.346 316 HA ALA 40 HA ALA 40 -12.693 0.020 -2.715 317 HB1 ALA 40 1HB ALA 40 -14.987 -1.724 -3.532 318 HB2 ALA 40 2HB ALA 40 -14.614 -0.072 -4.025 319 HB3 ALA 40 3HB ALA 40 -13.643 -1.413 -4.630 320 H ASP 41 H ASP 41 -13.909 -2.793 -1.049 321 HA ASP 41 HA ASP 41 -15.824 -1.316 0.522 322 HB2 ASP 41 1HB ASP 41 -14.886 -4.156 0.419 323 HB3 ASP 41 2HB ASP 41 -15.743 -3.591 1.851 324 H ALA 42 H ALA 42 -12.637 -2.773 1.053 325 HA ALA 42 HA ALA 42 -12.520 -1.796 3.775 326 HB1 ALA 42 1HB ALA 42 -11.512 -3.917 3.387 327 HB2 ALA 42 2HB ALA 42 -10.539 -3.280 2.061 328 HB3 ALA 42 3HB ALA 42 -10.212 -2.772 3.718 329 H ILE 43 H ILE 43 -12.340 -0.224 0.990 330 HA ILE 43 HA ILE 43 -9.904 1.189 1.070 331 HB ILE 43 HB ILE 43 -12.521 1.577 -0.271 332 HG12 ILE 43 1HG1 ILE 43 -9.629 1.655 -1.155 333 HG13 ILE 43 2HG1 ILE 43 -10.757 0.321 -1.370 334 HG21 ILE 43 1HG2 ILE 43 -10.580 3.800 0.268 335 HG22 ILE 43 2HG2 ILE 43 -11.633 3.808 -1.146 336 HG23 ILE 43 3HG2 ILE 43 -12.331 3.788 0.473 337 HD11 ILE 43 1HD1 ILE 43 -12.057 2.402 -2.581 338 HD12 ILE 43 2HD1 ILE 43 -10.365 2.715 -2.968 339 HD13 ILE 43 3HD1 ILE 43 -11.096 1.169 -3.395 340 HA PRO 44 HA PRO 44 -12.326 4.649 3.420 341 HB2 PRO 44 1HB PRO 44 -14.782 4.012 4.386 342 HB3 PRO 44 2HB PRO 44 -14.530 4.685 2.771 343 HG2 PRO 44 1HG PRO 44 -14.953 1.837 3.591 344 HG3 PRO 44 2HG PRO 44 -15.651 2.724 2.222 345 HD2 PRO 44 1HD PRO 44 -13.557 1.029 1.947 346 HD3 PRO 44 2HD PRO 44 -13.756 2.472 0.933 347 H TYR 45 H TYR 45 -13.170 1.392 4.577 348 HA TYR 45 HA TYR 45 -13.045 1.947 7.321 349 HB2 TYR 45 1HB TYR 45 -12.467 -0.659 5.897 350 HB3 TYR 45 2HB TYR 45 -12.807 -0.485 7.615 351 HD1 TYR 45 2HD TYR 45 -15.074 1.211 7.820 352 HD2 TYR 45 1HD TYR 45 -14.225 -1.688 4.823 353 HE1 TYR 45 2HE TYR 45 -17.480 0.980 7.368 354 HE2 TYR 45 1HE TYR 45 -16.629 -1.926 4.364 355 HH TYR 45 HH TYR 45 -18.757 -1.542 5.440 356 H CYS 46 H CYS 46 -10.591 1.956 5.039 357 HA CYS 46 HA CYS 46 -8.531 1.471 7.087 358 HB2 CYS 46 1HB CYS 46 -8.600 1.015 4.134 359 HB3 CYS 46 2HB CYS 46 -7.057 1.386 4.892 360 HG CYS 46 HG CYS 46 -6.587 -0.967 5.812 361 H SER 47 H SER 47 -9.845 3.752 4.834 362 HA SER 47 HA SER 47 -7.939 5.568 4.312 363 HB2 SER 47 1HB SER 47 -10.438 5.768 3.869 364 HB3 SER 47 2HB SER 47 -10.578 6.445 5.490 365 HG SER 47 HG SER 47 -10.331 8.128 4.045 366 H SER 48 H SER 48 -9.252 4.868 7.468 367 HA SER 48 HA SER 48 -8.040 7.136 8.753 368 HB2 SER 48 1HB SER 48 -9.273 4.623 9.906 369 HB3 SER 48 2HB SER 48 -8.760 6.018 10.853 370 HG SER 48 HG SER 48 -10.812 6.506 10.497 371 H ASP 49 H ASP 49 -7.429 3.627 8.791 372 HA ASP 49 HA ASP 49 -5.130 3.693 10.381 373 HB2 ASP 49 1HB ASP 49 -5.996 1.744 8.240 374 HB3 ASP 49 2HB ASP 49 -4.602 1.482 9.287 375 H TRP 50 H TRP 50 -5.467 3.780 6.847 376 HA TRP 50 HA TRP 50 -2.773 3.777 6.168 377 HB2 TRP 50 1HB TRP 50 -4.477 3.525 4.474 378 HB3 TRP 50 2HB TRP 50 -5.105 5.137 4.806 379 HD1 TRP 50 HD TRP 50 -4.158 7.055 3.375 380 HE1 TRP 50 1HE TRP 50 -2.227 7.294 1.689 381 HE3 TRP 50 3HE TRP 50 -1.941 2.495 4.029 382 HZ2 TRP 50 2HZ TRP 50 -0.053 5.753 0.759 383 HZ3 TRP 50 3HZ TRP 50 0.059 1.955 2.702 384 HH2 TRP 50 HH TRP 50 0.982 3.551 1.101 385 H ALA 51 H ALA 51 -4.813 6.391 7.305 386 HA ALA 51 HA ALA 51 -2.992 8.496 6.705 387 HB1 ALA 51 1HB ALA 51 -4.845 9.641 7.124 388 HB2 ALA 51 2HB ALA 51 -5.601 8.237 7.877 389 HB3 ALA 51 3HB ALA 51 -4.600 9.322 8.841 390 H LEU 52 H LEU 52 -3.184 6.153 9.208 391 HA LEU 52 HA LEU 52 -1.700 7.645 11.165 392 HB2 LEU 52 1HB LEU 52 -2.255 4.686 10.998 393 HB3 LEU 52 2HB LEU 52 -1.627 5.545 12.404 394 HG LEU 52 HG LEU 52 -4.356 6.001 11.204 395 HD11 LEU 52 1HD1 LEU 52 -3.630 3.737 12.471 396 HD12 LEU 52 2HD1 LEU 52 -5.244 4.442 12.562 397 HD13 LEU 52 3HD1 LEU 52 -4.077 4.742 13.850 398 HD21 LEU 52 1HD2 LEU 52 -4.751 7.120 13.398 399 HD22 LEU 52 2HD2 LEU 52 -3.587 7.946 12.362 400 HD23 LEU 52 3HD2 LEU 52 -3.024 6.977 13.724 401 H LEU 53 H LEU 53 -0.943 5.683 8.444 402 HA LEU 53 HA LEU 53 1.607 4.756 9.181 403 HB2 LEU 53 1HB LEU 53 0.298 5.320 6.543 404 HB3 LEU 53 2HB LEU 53 1.974 4.782 6.633 405 HG LEU 53 HG LEU 53 -0.114 3.162 8.008 406 HD11 LEU 53 1HD1 LEU 53 -0.785 3.836 5.570 407 HD12 LEU 53 2HD1 LEU 53 -0.940 2.166 6.114 408 HD13 LEU 53 3HD1 LEU 53 0.439 2.647 5.125 409 HD21 LEU 53 1HD2 LEU 53 1.529 1.665 8.120 410 HD22 LEU 53 2HD2 LEU 53 2.613 2.936 7.553 411 HD23 LEU 53 3HD2 LEU 53 1.883 1.818 6.399 412 H ARG 54 H ARG 54 3.677 5.490 8.200 413 HA ARG 54 HA ARG 54 3.832 8.429 8.280 414 HB2 ARG 54 1HB ARG 54 6.124 6.522 8.723 415 HB3 ARG 54 2HB ARG 54 6.044 8.232 9.125 416 HG2 ARG 54 1HG ARG 54 4.050 7.426 10.650 417 HG3 ARG 54 2HG ARG 54 4.910 5.888 10.550 418 HD2 ARG 54 1HD ARG 54 6.853 6.794 11.524 419 HD3 ARG 54 2HD ARG 54 6.299 8.450 11.280 420 HE ARG 54 HE ARG 54 4.476 7.142 12.953 421 HH11 ARG 54 1HH1 ARG 54 7.771 8.266 12.979 422 HH12 ARG 54 2HH1 ARG 54 7.804 8.531 14.690 423 HH21 ARG 54 1HH2 ARG 54 4.508 7.489 15.207 424 HH22 ARG 54 2HH2 ARG 54 5.948 8.088 15.957 425 H GLU 55 H GLU 55 5.585 9.400 6.957 426 HA GLU 55 HA GLU 55 5.276 8.985 4.278 427 HB2 GLU 55 1HB GLU 55 7.797 9.947 5.642 428 HB3 GLU 55 2HB GLU 55 7.392 10.196 3.949 429 HG2 GLU 55 1HG GLU 55 5.687 11.701 4.450 430 HG3 GLU 55 2HG GLU 55 5.592 11.175 6.130 431 H GLU 56 H GLU 56 7.750 7.536 6.365 432 HA GLU 56 HA GLU 56 9.217 6.189 4.428 433 HB2 GLU 56 1HB GLU 56 8.613 5.292 7.252 434 HB3 GLU 56 2HB GLU 56 9.905 4.665 6.238 435 HG2 GLU 56 1HG GLU 56 9.641 7.439 7.364 436 HG3 GLU 56 2HG GLU 56 10.854 6.223 7.759 437 H GLU 57 H GLU 57 6.417 5.029 6.292 438 HA GLU 57 HA GLU 57 6.266 2.475 5.171 439 HB2 GLU 57 1HB GLU 57 3.945 4.160 6.120 440 HB3 GLU 57 2HB GLU 57 3.987 2.407 5.991 441 HG2 GLU 57 1HG GLU 57 6.001 3.750 7.713 442 HG3 GLU 57 2HG GLU 57 4.340 3.624 8.290 443 H LYS 58 H LYS 58 4.461 5.413 4.270 444 HA LYS 58 HA LYS 58 3.040 4.399 2.129 445 HB2 LYS 58 1HB LYS 58 4.238 7.168 2.299 446 HB3 LYS 58 2HB LYS 58 2.854 6.685 1.327 447 HG2 LYS 58 1HG LYS 58 1.810 5.999 3.593 448 HG3 LYS 58 2HG LYS 58 3.050 7.046 4.285 449 HD2 LYS 58 1HD LYS 58 2.183 8.952 3.267 450 HD3 LYS 58 2HD LYS 58 1.294 8.020 2.061 451 HE2 LYS 58 1HE LYS 58 -0.260 7.254 3.748 452 HE3 LYS 58 2HE LYS 58 0.668 8.060 5.011 453 HZ1 LYS 58 1HZ LYS 58 -0.880 9.647 4.649 454 HZ2 LYS 58 2HZ LYS 58 -1.164 9.189 3.046 455 HZ3 LYS 58 3HZ LYS 58 0.197 10.116 3.431 456 H GLU 59 H GLU 59 6.305 5.792 2.140 457 HA GLU 59 HA GLU 59 6.763 5.619 -0.625 458 HB2 GLU 59 1HB GLU 59 8.123 6.814 1.247 459 HB3 GLU 59 2HB GLU 59 8.964 5.276 1.385 460 HG2 GLU 59 1HG GLU 59 9.655 5.402 -0.924 461 HG3 GLU 59 2HG GLU 59 8.728 6.884 -1.147 462 H LYS 60 H LYS 60 7.335 3.319 1.995 463 HA LYS 60 HA LYS 60 8.751 1.389 0.548 464 HB2 LYS 60 1HB LYS 60 8.801 0.993 2.818 465 HB3 LYS 60 2HB LYS 60 7.096 1.370 3.031 466 HG2 LYS 60 1HG LYS 60 6.536 -0.768 1.908 467 HG3 LYS 60 2HG LYS 60 8.259 -1.149 1.859 468 HD2 LYS 60 1HD LYS 60 8.332 -0.969 4.324 469 HD3 LYS 60 2HD LYS 60 6.589 -0.689 4.331 470 HE2 LYS 60 1HE LYS 60 6.112 -2.859 3.655 471 HE3 LYS 60 2HE LYS 60 7.727 -3.114 2.996 472 HZ1 LYS 60 1HZ LYS 60 7.936 -2.581 5.746 473 HZ2 LYS 60 2HZ LYS 60 8.348 -3.994 4.913 474 HZ3 LYS 60 3HZ LYS 60 6.783 -3.800 5.526 475 H TYR 61 H TYR 61 5.257 1.625 1.194 476 HA TYR 61 HA TYR 61 4.506 -0.655 -0.259 477 HB2 TYR 61 1HB TYR 61 3.081 1.798 0.688 478 HB3 TYR 61 2HB TYR 61 2.265 0.722 -0.441 479 HD1 TYR 61 2HD TYR 61 1.672 -1.561 0.226 480 HD2 TYR 61 1HD TYR 61 3.495 1.134 2.968 481 HE1 TYR 61 2HE TYR 61 1.013 -3.022 2.091 482 HE2 TYR 61 1HE TYR 61 2.843 -0.321 4.840 483 HH TYR 61 HH TYR 61 1.889 -3.453 4.489 484 H ALA 62 H ALA 62 4.972 2.697 -1.235 485 HA ALA 62 HA ALA 62 3.906 2.428 -3.848 486 HB1 ALA 62 1HB ALA 62 5.100 4.489 -2.274 487 HB2 ALA 62 2HB ALA 62 5.863 4.459 -3.864 488 HB3 ALA 62 3HB ALA 62 4.113 4.633 -3.730 489 H GLU 63 H GLU 63 7.130 2.011 -2.486 490 HA GLU 63 HA GLU 63 8.500 1.766 -4.952 491 HB2 GLU 63 1HB GLU 63 9.725 2.267 -2.934 492 HB3 GLU 63 2HB GLU 63 9.185 0.771 -2.184 493 HG2 GLU 63 1HG GLU 63 10.400 -0.447 -4.028 494 HG3 GLU 63 2HG GLU 63 11.114 1.104 -4.459 495 H MET 64 H MET 64 7.408 -0.706 -2.625 496 HA MET 64 HA MET 64 8.123 -2.926 -4.188 497 HB2 MET 64 1HB MET 64 6.628 -4.209 -2.722 498 HB3 MET 64 2HB MET 64 7.650 -3.114 -1.801 499 HG2 MET 64 1HG MET 64 5.703 -1.503 -1.812 500 HG3 MET 64 2HG MET 64 4.730 -2.836 -2.426 501 HE1 MET 64 1HE MET 64 4.493 -5.015 -1.391 502 HE2 MET 64 2HE MET 64 5.954 -5.451 -0.504 503 HE3 MET 64 3HE MET 64 4.416 -5.302 0.348 504 H ALA 65 H ALA 65 5.281 -0.890 -4.177 505 HA ALA 65 HA ALA 65 3.605 -2.592 -5.705 506 HB1 ALA 65 1HB ALA 65 2.428 -0.957 -4.584 507 HB2 ALA 65 2HB ALA 65 3.576 0.313 -5.010 508 HB3 ALA 65 3HB ALA 65 2.461 -0.312 -6.226 509 H ARG 66 H ARG 66 5.488 0.293 -6.638 510 HA ARG 66 HA ARG 66 4.972 0.170 -9.375 511 HB2 ARG 66 1HB ARG 66 7.332 1.270 -7.851 512 HB3 ARG 66 2HB ARG 66 7.136 1.469 -9.588 513 HG2 ARG 66 1HG ARG 66 4.781 2.411 -8.859 514 HG3 ARG 66 2HG ARG 66 5.643 2.720 -7.350 515 HD2 ARG 66 1HD ARG 66 5.970 4.684 -8.537 516 HD3 ARG 66 2HD ARG 66 7.444 3.778 -8.872 517 HE ARG 66 HE ARG 66 5.513 3.241 -10.858 518 HH11 ARG 66 1HH1 ARG 66 7.658 5.755 -9.761 519 HH12 ARG 66 2HH1 ARG 66 7.825 6.476 -11.327 520 HH21 ARG 66 1HH2 ARG 66 5.726 4.180 -12.925 521 HH22 ARG 66 2HH2 ARG 66 6.725 5.580 -13.125 522 H GLU 67 H GLU 67 7.849 -1.010 -7.625 523 HA GLU 67 HA GLU 67 9.145 -2.189 -9.775 524 HB2 GLU 67 1HB GLU 67 10.419 -3.438 -8.174 525 HB3 GLU 67 2HB GLU 67 10.092 -1.854 -7.484 526 HG2 GLU 67 1HG GLU 67 8.213 -2.859 -6.212 527 HG3 GLU 67 2HG GLU 67 8.705 -4.439 -6.818 528 H TRP 68 H TRP 68 6.584 -3.457 -7.719 529 HA TRP 68 HA TRP 68 6.658 -6.124 -8.611 530 HB2 TRP 68 1HB TRP 68 5.447 -5.581 -6.608 531 HB3 TRP 68 2HB TRP 68 4.402 -4.464 -7.480 532 HD1 TRP 68 HD TRP 68 5.052 -8.244 -7.109 533 HE1 TRP 68 1HE TRP 68 2.912 -9.501 -7.789 534 HE3 TRP 68 3HE TRP 68 2.281 -4.283 -8.772 535 HZ2 TRP 68 2HZ TRP 68 0.383 -8.894 -8.886 536 HZ3 TRP 68 3HZ TRP 68 0.010 -4.707 -9.621 537 HH2 TRP 68 HH TRP 68 -0.916 -6.965 -9.677 538 H ARG 69 H ARG 69 4.592 -3.408 -9.642 539 HA ARG 69 HA ARG 69 3.183 -4.746 -11.636 540 HB2 ARG 69 1HB ARG 69 3.872 -1.885 -11.122 541 HB3 ARG 69 2HB ARG 69 3.166 -2.314 -12.676 542 HG2 ARG 69 1HG ARG 69 1.384 -3.530 -11.208 543 HG3 ARG 69 2HG ARG 69 1.968 -2.435 -9.952 544 HD2 ARG 69 1HD ARG 69 0.276 -1.181 -10.866 545 HD3 ARG 69 2HD ARG 69 1.652 -0.623 -11.816 546 HE ARG 69 HE ARG 69 0.507 -2.786 -13.153 547 HH11 ARG 69 1HH1 ARG 69 -0.302 0.477 -12.248 548 HH12 ARG 69 2HH1 ARG 69 -1.361 0.728 -13.596 549 HH21 ARG 69 1HH2 ARG 69 -0.886 -2.468 -14.932 550 HH22 ARG 69 2HH2 ARG 69 -1.694 -0.949 -15.122 551 H ALA 70 H ALA 70 6.248 -2.970 -11.834 552 HA ALA 70 HA ALA 70 6.622 -3.228 -14.609 553 HB1 ALA 70 1HB ALA 70 9.082 -2.902 -13.988 554 HB2 ALA 70 2HB ALA 70 7.950 -1.625 -13.545 555 HB3 ALA 70 3HB ALA 70 8.512 -2.766 -12.325 556 H ALA 71 H ALA 71 7.916 -5.176 -11.919 557 HA ALA 71 HA ALA 71 9.307 -7.036 -13.485 558 HB1 ALA 71 1HB ALA 71 9.940 -7.735 -11.479 559 HB2 ALA 71 2HB ALA 71 8.758 -6.652 -10.743 560 HB3 ALA 71 3HB ALA 71 8.308 -8.310 -11.137 561 H GLN 72 H GLN 72 5.936 -6.867 -12.525 562 HA GLN 72 HA GLN 72 5.329 -9.515 -13.496 563 HB2 GLN 72 1HB GLN 72 3.576 -7.250 -12.537 564 HB3 GLN 72 2HB GLN 72 2.956 -8.814 -13.049 565 HG2 GLN 72 1HG GLN 72 4.834 -8.312 -10.751 566 HG3 GLN 72 2HG GLN 72 3.115 -8.689 -10.635 567 HE21 GLN 72 1HE2 GLN 72 4.870 -10.226 -9.288 568 HE22 GLN 72 2HE2 GLN 72 5.000 -11.785 -10.021 569 H GLY 73 H GLY 73 5.536 -6.355 -14.809 570 HA2 GLY 73 1HA GLY 73 3.713 -6.812 -16.998 571 HA3 GLY 73 2HA GLY 73 4.786 -5.435 -16.802 572 H LYS 74 H LYS 74 7.247 -6.625 -16.655 573 HA LYS 74 HA LYS 74 8.932 -7.173 -18.102 574 HB2 LYS 74 1HB LYS 74 7.041 -9.487 -18.560 575 HB3 LYS 74 2HB LYS 74 8.735 -9.467 -19.033 576 HG2 LYS 74 1HG LYS 74 9.249 -9.043 -16.577 577 HG3 LYS 74 2HG LYS 74 7.571 -9.495 -16.270 578 HD2 LYS 74 1HD LYS 74 8.618 -11.526 -16.022 579 HD3 LYS 74 2HD LYS 74 8.193 -11.582 -17.734 580 HE2 LYS 74 1HE LYS 74 10.441 -10.828 -18.318 581 HE3 LYS 74 2HE LYS 74 10.866 -10.745 -16.609 582 HZ1 LYS 74 1HZ LYS 74 11.502 -12.847 -16.782 583 HZ2 LYS 74 2HZ LYS 74 10.879 -12.987 -18.348 584 HZ3 LYS 74 3HZ LYS 74 9.885 -13.287 -17.014 585 H ASP 75 H ASP 75 7.317 -5.271 -19.242 586 HA ASP 75 HA ASP 75 6.556 -6.093 -21.904 587 HB2 ASP 75 1HB ASP 75 6.794 -3.240 -20.979 588 HB3 ASP 75 2HB ASP 75 5.707 -3.918 -22.188 589 HA PRO 76 HA PRO 76 10.398 -5.366 -23.912 590 HB2 PRO 76 1HB PRO 76 9.507 -4.774 -26.407 591 HB3 PRO 76 2HB PRO 76 9.477 -6.410 -25.740 592 HG2 PRO 76 1HG PRO 76 7.264 -4.402 -25.935 593 HG3 PRO 76 2HG PRO 76 7.227 -6.145 -26.265 594 HD2 PRO 76 1HD PRO 76 6.310 -5.081 -23.951 595 HD3 PRO 76 2HD PRO 76 7.052 -6.691 -24.032 596 H GLY 77 H GLY 77 8.079 -2.935 -23.420 597 HA2 GLY 77 1HA GLY 77 8.684 -0.691 -22.940 598 HA3 GLY 77 2HA GLY 77 10.107 -0.887 -23.952 599 HA PRO 78 HA PRO 78 6.277 0.948 -26.230 600 HB2 PRO 78 1HB PRO 78 6.571 3.599 -25.719 601 HB3 PRO 78 2HB PRO 78 5.567 2.534 -24.727 602 HG2 PRO 78 1HG PRO 78 8.356 3.508 -24.237 603 HG3 PRO 78 2HG PRO 78 7.003 3.373 -23.100 604 HD2 PRO 78 1HD PRO 78 8.994 1.542 -23.219 605 HD3 PRO 78 2HD PRO 78 7.326 1.112 -22.788 606 H SER 79 H SER 79 9.317 2.744 -25.689 607 HA SER 79 HA SER 79 9.509 3.608 -28.395 608 HB2 SER 79 1HB SER 79 10.558 4.724 -26.357 609 HB3 SER 79 2HB SER 79 11.791 3.465 -26.422 610 HG SER 79 HG SER 79 12.422 5.342 -27.568 611 H GLU 80 H GLU 80 11.155 3.017 -29.927 612 HA GLU 80 HA GLU 80 11.308 0.313 -30.481 613 HB2 GLU 80 1HB GLU 80 13.132 0.911 -32.062 614 HB3 GLU 80 2HB GLU 80 11.722 1.950 -32.199 615 HG2 GLU 80 1HG GLU 80 13.090 3.443 -30.512 616 HG3 GLU 80 2HG GLU 80 14.451 2.570 -31.215 617 H LYS 81 H LYS 81 13.164 -1.127 -30.532 618 HA LYS 81 HA LYS 81 14.913 -0.728 -28.195 619 HB2 LYS 81 1HB LYS 81 13.173 -2.687 -28.348 620 HB3 LYS 81 2HB LYS 81 14.387 -3.425 -29.386 621 HG2 LYS 81 1HG LYS 81 15.118 -2.383 -26.678 622 HG3 LYS 81 2HG LYS 81 14.392 -3.979 -26.875 623 HD2 LYS 81 1HD LYS 81 16.205 -4.784 -28.105 624 HD3 LYS 81 2HD LYS 81 16.781 -3.161 -28.493 625 HE2 LYS 81 1HE LYS 81 16.708 -4.172 -25.667 626 HE3 LYS 81 2HE LYS 81 18.068 -4.519 -26.734 627 HZ1 LYS 81 1HZ LYS 81 17.942 -2.368 -25.191 628 HZ2 LYS 81 2HZ LYS 81 17.229 -1.740 -26.590 629 HZ3 LYS 81 3HZ LYS 81 18.785 -2.400 -26.658 630 H GLN 82 H GLN 82 16.952 -0.298 -28.685 631 HA GLN 82 HA GLN 82 17.992 -0.879 -31.323 632 HB2 GLN 82 1HB GLN 82 19.012 0.637 -28.941 633 HB3 GLN 82 2HB GLN 82 20.094 0.217 -30.264 634 HG2 GLN 82 1HG GLN 82 17.560 1.821 -30.522 635 HG3 GLN 82 2HG GLN 82 19.194 2.479 -30.479 636 HE21 GLN 82 1HE2 GLN 82 20.431 2.435 -32.287 637 HE22 GLN 82 2HE2 GLN 82 19.877 1.867 -33.821 638 H LYS 83 H LYS 83 18.399 -3.017 -31.569 639 HA LYS 83 HA LYS 83 20.717 -4.103 -30.331 640 HB2 LYS 83 1HB LYS 83 19.334 -4.578 -28.457 641 HB3 LYS 83 2HB LYS 83 18.021 -5.148 -29.478 642 HG2 LYS 83 1HG LYS 83 19.370 -7.079 -30.134 643 HG3 LYS 83 2HG LYS 83 20.682 -6.508 -29.100 644 HD2 LYS 83 1HD LYS 83 19.139 -6.651 -27.157 645 HD3 LYS 83 2HD LYS 83 17.923 -7.359 -28.224 646 HE2 LYS 83 1HE LYS 83 19.290 -9.268 -28.637 647 HE3 LYS 83 2HE LYS 83 20.674 -8.523 -27.839 648 HZ1 LYS 83 1HZ LYS 83 19.756 -10.057 -26.324 649 HZ2 LYS 83 2HZ LYS 83 18.177 -9.510 -26.585 650 HZ3 LYS 83 3HZ LYS 83 19.287 -8.530 -25.768 651 HA PRO 84 HA PRO 84 20.556 -6.175 -34.233 652 HB2 PRO 84 1HB PRO 84 22.671 -7.833 -33.845 653 HB3 PRO 84 2HB PRO 84 22.853 -6.107 -34.181 654 HG2 PRO 84 1HG PRO 84 22.966 -7.548 -31.559 655 HG3 PRO 84 2HG PRO 84 24.011 -6.252 -32.170 656 HD2 PRO 84 1HD PRO 84 21.999 -5.797 -30.416 657 HD3 PRO 84 2HD PRO 84 22.492 -4.604 -31.634 658 H VAL 85 H VAL 85 20.350 -8.366 -35.109 659 HA VAL 85 HA VAL 85 19.373 -10.335 -33.154 660 HB VAL 85 HB VAL 85 17.439 -9.199 -34.192 661 HG11 VAL 85 1HG1 VAL 85 17.901 -10.491 -36.804 662 HG12 VAL 85 2HG1 VAL 85 17.135 -8.949 -36.418 663 HG13 VAL 85 3HG1 VAL 85 18.894 -9.078 -36.447 664 HG21 VAL 85 1HG2 VAL 85 17.031 -11.740 -35.463 665 HG22 VAL 85 2HG2 VAL 85 17.908 -11.954 -33.948 666 HG23 VAL 85 3HG2 VAL 85 16.352 -11.123 -33.957 667 H PHE 86 H PHE 86 19.857 -12.444 -33.581 668 HA PHE 86 HA PHE 86 20.852 -13.260 -36.165 669 HB2 PHE 86 1HB PHE 86 22.878 -12.301 -35.217 670 HB3 PHE 86 2HB PHE 86 22.674 -13.252 -33.750 671 HD1 PHE 86 1HD PHE 86 23.299 -13.512 -37.390 672 HD2 PHE 86 2HD PHE 86 23.537 -15.418 -33.592 673 HE1 PHE 86 1HE PHE 86 24.630 -15.324 -38.387 674 HE2 PHE 86 2HE PHE 86 24.870 -17.233 -34.583 675 HZ PHE 86 HZ PHE 86 25.419 -17.188 -36.984 676 H THR 87 H THR 87 21.415 -15.609 -36.178 677 HA THR 87 HA THR 87 19.907 -17.075 -34.112 678 HB THR 87 HB THR 87 19.258 -18.705 -35.881 679 HG1 THR 87 1HG THR 87 19.926 -16.747 -37.802 680 HG21 THR 87 1HG2 THR 87 17.387 -17.507 -36.571 681 HG22 THR 87 2HG2 THR 87 18.286 -15.998 -36.722 682 HG23 THR 87 3HG2 THR 87 17.891 -16.632 -35.126 683 H SER 88 H SER 88 20.968 -18.685 -33.147 684 HA SER 88 HA SER 88 23.392 -19.739 -34.449 685 HB2 SER 88 1HB SER 88 24.041 -18.257 -32.616 686 HB3 SER 88 2HB SER 88 22.999 -19.145 -31.505 687 HG SER 88 HG SER 88 25.226 -20.226 -32.896 688 H GLY 89 H GLY 89 22.573 -21.646 -35.183 689 HA2 GLY 89 1HA GLY 89 20.919 -23.306 -33.477 690 HA3 GLY 89 2HA GLY 89 21.426 -23.673 -35.118 691 HA PRO 90 HA PRO 90 24.087 -25.773 -31.698 692 HB2 PRO 90 1HB PRO 90 22.705 -28.076 -31.301 693 HB3 PRO 90 2HB PRO 90 22.455 -26.625 -30.323 694 HG2 PRO 90 1HG PRO 90 20.855 -27.648 -32.637 695 HG3 PRO 90 2HG PRO 90 20.291 -26.968 -31.100 696 HD2 PRO 90 1HD PRO 90 20.363 -25.527 -33.391 697 HD3 PRO 90 2HD PRO 90 20.621 -24.796 -31.794 698 H SER 91 H SER 91 25.461 -27.558 -32.106 699 HA SER 91 HA SER 91 25.575 -28.302 -34.904 700 HB2 SER 91 1HB SER 91 27.435 -28.572 -32.564 701 HB3 SER 91 2HB SER 91 27.710 -29.526 -34.020 702 HG SER 91 HG SER 91 28.465 -27.078 -33.621 703 H SER 92 H SER 92 25.179 -29.893 -31.771 704 HA SER 92 HA SER 92 25.205 -32.545 -32.661 705 HB2 SER 92 1HB SER 92 23.642 -31.384 -30.341 706 HB3 SER 92 2HB SER 92 24.053 -33.085 -30.566 707 HG SER 92 HG SER 92 25.556 -31.062 -29.555 708 H GLY 93 H GLY 93 23.030 -33.906 -32.171 709 HA2 GLY 93 1HA GLY 93 20.525 -33.487 -32.557 710 HA3 GLY 93 2HA GLY 93 21.073 -32.828 -34.092 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.094 11.066 -14.812 2 HA2 GLY 1 1HA GLY 1 2.044 12.088 -15.930 3 HA3 GLY 1 2HA GLY 1 2.706 13.019 -14.595 4 H SER 2 H SER 2 1.596 13.263 -17.659 5 HA SER 2 HA SER 2 3.397 14.897 -19.010 6 HB2 SER 2 1HB SER 2 0.374 15.067 -19.094 7 HB3 SER 2 2HB SER 2 1.487 15.666 -20.324 8 HG SER 2 HG SER 2 1.690 12.983 -19.590 9 H SER 3 H SER 3 2.639 17.293 -19.583 10 HA SER 3 HA SER 3 2.931 18.759 -17.100 11 HB2 SER 3 1HB SER 3 3.398 20.682 -18.495 12 HB3 SER 3 2HB SER 3 4.297 19.301 -19.122 13 HG SER 3 HG SER 3 2.969 20.731 -20.617 14 H GLY 4 H GLY 4 0.553 18.334 -19.656 15 HA2 GLY 4 1HA GLY 4 -1.406 19.716 -17.947 16 HA3 GLY 4 2HA GLY 4 -1.285 20.135 -19.649 17 H SER 5 H SER 5 -1.957 17.461 -17.429 18 HA SER 5 HA SER 5 -4.086 16.548 -19.151 19 HB2 SER 5 1HB SER 5 -1.786 15.474 -19.864 20 HB3 SER 5 2HB SER 5 -2.069 14.446 -18.461 21 HG SER 5 HG SER 5 -3.118 13.366 -19.986 22 H SER 6 H SER 6 -5.519 15.102 -18.118 23 HA SER 6 HA SER 6 -5.266 15.127 -15.196 24 HB2 SER 6 1HB SER 6 -7.603 15.067 -15.064 25 HB3 SER 6 2HB SER 6 -7.317 16.068 -16.487 26 HG SER 6 HG SER 6 -7.581 14.093 -17.727 27 H GLY 7 H GLY 7 -5.513 13.004 -17.947 28 HA2 GLY 7 1HA GLY 7 -4.996 10.754 -18.086 29 HA3 GLY 7 2HA GLY 7 -4.674 10.760 -16.359 30 H MET 8 H MET 8 -5.916 8.605 -17.445 31 HA MET 8 HA MET 8 -8.782 8.879 -17.191 32 HB2 MET 8 1HB MET 8 -8.882 6.538 -17.759 33 HB3 MET 8 2HB MET 8 -7.736 7.329 -18.832 34 HG2 MET 8 1HG MET 8 -6.009 6.536 -17.009 35 HG3 MET 8 2HG MET 8 -7.265 5.346 -16.675 36 HE1 MET 8 1HE MET 8 -5.527 3.261 -17.415 37 HE2 MET 8 2HE MET 8 -4.456 3.506 -18.794 38 HE3 MET 8 3HE MET 8 -4.404 4.620 -17.428 39 HA PRO 9 HA PRO 9 -9.056 8.032 -12.881 40 HB2 PRO 9 1HB PRO 9 -11.590 7.060 -12.790 41 HB3 PRO 9 2HB PRO 9 -11.226 8.774 -13.026 42 HG2 PRO 9 1HG PRO 9 -11.940 6.693 -15.055 43 HG3 PRO 9 2HG PRO 9 -12.508 8.367 -14.922 44 HD2 PRO 9 1HD PRO 9 -10.576 7.619 -16.664 45 HD3 PRO 9 2HD PRO 9 -10.608 9.223 -15.905 46 H ASN 10 H ASN 10 -9.828 6.202 -11.386 47 HA ASN 10 HA ASN 10 -8.505 3.788 -12.222 48 HB2 ASN 10 1HB ASN 10 -9.380 3.063 -9.847 49 HB3 ASN 10 2HB ASN 10 -8.055 4.214 -9.996 50 HD21 ASN 10 1HD2 ASN 10 -8.491 5.103 -7.983 51 HD22 ASN 10 2HD2 ASN 10 -9.852 6.131 -7.707 52 H ARG 11 H ARG 11 -9.886 3.097 -13.929 53 HA ARG 11 HA ARG 11 -12.401 1.886 -12.982 54 HB2 ARG 11 1HB ARG 11 -11.755 3.127 -15.655 55 HB3 ARG 11 2HB ARG 11 -13.154 2.094 -15.394 56 HG2 ARG 11 1HG ARG 11 -12.757 4.428 -13.596 57 HG3 ARG 11 2HG ARG 11 -13.336 4.705 -15.239 58 HD2 ARG 11 1HD ARG 11 -15.116 2.988 -14.789 59 HD3 ARG 11 2HD ARG 11 -14.602 3.002 -13.102 60 HE ARG 11 HE ARG 11 -15.127 5.636 -13.906 61 HH11 ARG 11 1HH1 ARG 11 -16.805 2.646 -13.298 62 HH12 ARG 11 2HH1 ARG 11 -18.286 3.419 -12.838 63 HH21 ARG 11 1HH2 ARG 11 -17.071 6.665 -13.301 64 HH22 ARG 11 2HH2 ARG 11 -18.436 5.705 -12.840 65 H LYS 12 H LYS 12 -9.957 1.615 -15.567 66 HA LYS 12 HA LYS 12 -10.531 -1.124 -16.088 67 HB2 LYS 12 1HB LYS 12 -8.333 0.755 -16.896 68 HB3 LYS 12 2HB LYS 12 -8.222 -0.959 -17.272 69 HG2 LYS 12 1HG LYS 12 -9.151 -0.089 -19.191 70 HG3 LYS 12 2HG LYS 12 -10.574 -0.639 -18.302 71 HD2 LYS 12 1HD LYS 12 -11.210 1.521 -17.734 72 HD3 LYS 12 2HD LYS 12 -9.587 2.170 -17.984 73 HE2 LYS 12 1HE LYS 12 -10.599 2.948 -19.874 74 HE3 LYS 12 2HE LYS 12 -10.046 1.382 -20.466 75 HZ1 LYS 12 1HZ LYS 12 -12.645 1.316 -19.222 76 HZ2 LYS 12 2HZ LYS 12 -12.131 0.650 -20.689 77 HZ3 LYS 12 3HZ LYS 12 -12.582 2.279 -20.612 78 H ALA 13 H ALA 13 -7.624 0.402 -14.686 79 HA ALA 13 HA ALA 13 -7.444 -1.471 -12.560 80 HB1 ALA 13 1HB ALA 13 -6.055 -2.103 -15.072 81 HB2 ALA 13 2HB ALA 13 -5.066 -2.216 -13.615 82 HB3 ALA 13 3HB ALA 13 -6.551 -3.159 -13.749 83 H SER 14 H SER 14 -6.512 -0.384 -10.966 84 HA SER 14 HA SER 14 -4.165 1.257 -11.478 85 HB2 SER 14 1HB SER 14 -6.747 2.362 -10.364 86 HB3 SER 14 2HB SER 14 -5.192 3.171 -10.170 87 HG SER 14 HG SER 14 -5.202 2.774 -12.649 88 H ARG 15 H ARG 15 -2.749 0.483 -10.067 89 HA ARG 15 HA ARG 15 -3.650 0.000 -7.303 90 HB2 ARG 15 1HB ARG 15 -1.725 -1.606 -8.981 91 HB3 ARG 15 2HB ARG 15 -1.814 -1.754 -7.232 92 HG2 ARG 15 1HG ARG 15 -3.898 -2.741 -7.287 93 HG3 ARG 15 2HG ARG 15 -4.283 -2.077 -8.876 94 HD2 ARG 15 1HD ARG 15 -2.600 -3.565 -9.881 95 HD3 ARG 15 2HD ARG 15 -2.274 -4.248 -8.288 96 HE ARG 15 HE ARG 15 -4.965 -4.571 -8.649 97 HH11 ARG 15 1HH1 ARG 15 -2.101 -5.505 -10.395 98 HH12 ARG 15 2HH1 ARG 15 -2.811 -6.944 -11.048 99 HH21 ARG 15 1HH2 ARG 15 -5.911 -6.463 -9.505 100 HH22 ARG 15 2HH2 ARG 15 -4.979 -7.487 -10.542 101 H ASN 16 H ASN 16 -2.496 0.943 -5.723 102 HA ASN 16 HA ASN 16 0.191 1.936 -6.284 103 HB2 ASN 16 1HB ASN 16 -1.576 3.733 -6.780 104 HB3 ASN 16 2HB ASN 16 -1.846 3.774 -5.040 105 HD21 ASN 16 1HD2 ASN 16 0.390 4.444 -7.615 106 HD22 ASN 16 2HD2 ASN 16 1.468 5.431 -6.693 107 H ALA 17 H ALA 17 1.077 3.009 -4.180 108 HA ALA 17 HA ALA 17 1.549 1.216 -2.255 109 HB1 ALA 17 1HB ALA 17 2.758 3.131 -1.944 110 HB2 ALA 17 2HB ALA 17 1.355 4.182 -2.149 111 HB3 ALA 17 3HB ALA 17 1.580 3.297 -0.641 112 H TYR 18 H TYR 18 -1.223 3.443 -2.201 113 HA TYR 18 HA TYR 18 -2.321 2.622 0.229 114 HB2 TYR 18 1HB TYR 18 -3.009 4.636 -1.092 115 HB3 TYR 18 2HB TYR 18 -3.865 3.564 -2.196 116 HD1 TYR 18 2HD TYR 18 -3.644 4.177 1.491 117 HD2 TYR 18 1HD TYR 18 -6.131 3.344 -1.859 118 HE1 TYR 18 2HE TYR 18 -5.625 4.273 2.946 119 HE2 TYR 18 1HE TYR 18 -8.119 3.439 -0.415 120 HH TYR 18 HH TYR 18 -8.863 4.189 1.646 121 H TYR 19 H TYR 19 -3.147 1.545 -3.067 122 HA TYR 19 HA TYR 19 -5.092 -0.299 -2.504 123 HB2 TYR 19 1HB TYR 19 -4.436 0.274 -4.784 124 HB3 TYR 19 2HB TYR 19 -2.890 -0.538 -4.565 125 HD1 TYR 19 1HD TYR 19 -2.870 -3.037 -4.223 126 HD2 TYR 19 2HD TYR 19 -6.353 -0.927 -5.451 127 HE1 TYR 19 1HE TYR 19 -3.856 -5.144 -5.023 128 HE2 TYR 19 2HE TYR 19 -7.350 -3.028 -6.253 129 HH TYR 19 HH TYR 19 -6.263 -5.376 -7.095 130 H PHE 20 H PHE 20 -1.583 -0.889 -2.565 131 HA PHE 20 HA PHE 20 -1.649 -3.594 -1.886 132 HB2 PHE 20 1HB PHE 20 0.383 -1.426 -1.718 133 HB3 PHE 20 2HB PHE 20 0.689 -2.896 -0.798 134 HD1 PHE 20 2HD PHE 20 -0.268 -1.776 -4.219 135 HD2 PHE 20 1HD PHE 20 1.744 -4.665 -1.828 136 HE1 PHE 20 2HE PHE 20 0.578 -2.867 -6.255 137 HE2 PHE 20 1HE PHE 20 2.595 -5.760 -3.860 138 HZ PHE 20 HZ PHE 20 2.011 -4.862 -6.078 139 H PHE 21 H PHE 21 -1.557 -0.719 0.173 140 HA PHE 21 HA PHE 21 -1.253 -2.013 2.637 141 HB2 PHE 21 1HB PHE 21 -0.939 0.375 2.461 142 HB3 PHE 21 2HB PHE 21 -2.609 0.600 1.952 143 HD1 PHE 21 1HD PHE 21 -0.608 -0.726 4.798 144 HD2 PHE 21 2HD PHE 21 -4.197 1.172 3.521 145 HE1 PHE 21 1HE PHE 21 -1.274 -0.413 7.146 146 HE2 PHE 21 2HE PHE 21 -4.868 1.488 5.866 147 HZ PHE 21 HZ PHE 21 -3.406 0.697 7.684 148 H VAL 22 H VAL 22 -4.230 -0.870 1.047 149 HA VAL 22 HA VAL 22 -6.021 -1.873 2.957 150 HB VAL 22 HB VAL 22 -6.482 -1.428 0.004 151 HG11 VAL 22 1HG1 VAL 22 -8.838 -1.347 0.534 152 HG12 VAL 22 2HG1 VAL 22 -8.168 -2.892 1.060 153 HG13 VAL 22 3HG1 VAL 22 -8.495 -1.624 2.241 154 HG21 VAL 22 1HG2 VAL 22 -5.764 0.452 1.795 155 HG22 VAL 22 2HG2 VAL 22 -6.820 0.766 0.418 156 HG23 VAL 22 3HG2 VAL 22 -7.514 0.468 2.011 157 H GLN 23 H GLN 23 -4.525 -3.365 0.150 158 HA GLN 23 HA GLN 23 -6.122 -5.655 -0.033 159 HB2 GLN 23 1HB GLN 23 -4.263 -4.775 -1.613 160 HB3 GLN 23 2HB GLN 23 -3.173 -5.707 -0.595 161 HG2 GLN 23 1HG GLN 23 -4.662 -7.697 -1.053 162 HG3 GLN 23 2HG GLN 23 -5.433 -6.710 -2.294 163 HE21 GLN 23 1HE2 GLN 23 -2.274 -7.887 -1.230 164 HE22 GLN 23 2HE2 GLN 23 -1.597 -8.030 -2.812 165 H GLU 24 H GLU 24 -3.293 -4.950 1.954 166 HA GLU 24 HA GLU 24 -3.216 -7.618 3.057 167 HB2 GLU 24 1HB GLU 24 -1.651 -5.099 3.510 168 HB3 GLU 24 2HB GLU 24 -1.518 -6.440 4.638 169 HG2 GLU 24 1HG GLU 24 -0.903 -6.514 1.694 170 HG3 GLU 24 2HG GLU 24 0.265 -6.524 3.015 171 H LYS 25 H LYS 25 -5.355 -5.265 3.459 172 HA LYS 25 HA LYS 25 -5.683 -5.769 6.345 173 HB2 LYS 25 1HB LYS 25 -6.460 -3.349 4.712 174 HB3 LYS 25 2HB LYS 25 -6.981 -3.615 6.371 175 HG2 LYS 25 1HG LYS 25 -4.071 -3.684 5.733 176 HG3 LYS 25 2HG LYS 25 -4.900 -2.129 5.847 177 HD2 LYS 25 1HD LYS 25 -5.334 -4.111 8.021 178 HD3 LYS 25 2HD LYS 25 -3.781 -3.275 7.958 179 HE2 LYS 25 1HE LYS 25 -4.958 -1.813 9.260 180 HE3 LYS 25 2HE LYS 25 -5.326 -1.158 7.666 181 HZ1 LYS 25 1HZ LYS 25 -7.099 -2.185 9.599 182 HZ2 LYS 25 2HZ LYS 25 -7.217 -3.121 8.195 183 HZ3 LYS 25 3HZ LYS 25 -7.458 -1.448 8.119 184 H ILE 26 H ILE 26 -7.038 -6.063 3.222 185 HA ILE 26 HA ILE 26 -9.747 -6.022 3.565 186 HB ILE 26 HB ILE 26 -7.944 -7.633 1.846 187 HG12 ILE 26 1HG1 ILE 26 -10.448 -6.220 1.000 188 HG13 ILE 26 2HG1 ILE 26 -9.033 -5.277 1.458 189 HG21 ILE 26 1HG2 ILE 26 -10.174 -8.640 0.890 190 HG22 ILE 26 2HG2 ILE 26 -9.314 -9.433 2.209 191 HG23 ILE 26 3HG2 ILE 26 -10.725 -8.431 2.552 192 HD11 ILE 26 1HD1 ILE 26 -8.237 -7.335 -0.345 193 HD12 ILE 26 2HD1 ILE 26 -9.606 -6.455 -1.024 194 HD13 ILE 26 3HD1 ILE 26 -8.151 -5.584 -0.540 195 HA PRO 27 HA PRO 27 -9.737 -10.574 5.191 196 HB2 PRO 27 1HB PRO 27 -7.339 -11.640 5.883 197 HB3 PRO 27 2HB PRO 27 -8.013 -11.770 4.256 198 HG2 PRO 27 1HG PRO 27 -5.952 -9.871 5.305 199 HG3 PRO 27 2HG PRO 27 -5.977 -10.759 3.770 200 HD2 PRO 27 1HD PRO 27 -6.674 -8.149 3.955 201 HD3 PRO 27 2HD PRO 27 -7.413 -9.253 2.778 202 H GLU 28 H GLU 28 -7.537 -8.196 6.483 203 HA GLU 28 HA GLU 28 -7.557 -9.135 9.173 204 HB2 GLU 28 1HB GLU 28 -5.759 -7.710 8.399 205 HB3 GLU 28 2HB GLU 28 -6.895 -6.426 8.010 206 HG2 GLU 28 1HG GLU 28 -7.208 -5.845 10.209 207 HG3 GLU 28 2HG GLU 28 -6.746 -7.437 10.807 208 H LEU 29 H LEU 29 -9.448 -6.759 7.372 209 HA LEU 29 HA LEU 29 -10.932 -5.880 9.660 210 HB2 LEU 29 1HB LEU 29 -11.552 -5.557 6.727 211 HB3 LEU 29 2HB LEU 29 -12.306 -4.673 8.052 212 HG LEU 29 HG LEU 29 -9.373 -4.492 7.387 213 HD11 LEU 29 1HD1 LEU 29 -11.090 -2.205 6.769 214 HD12 LEU 29 2HD1 LEU 29 -11.360 -3.615 5.745 215 HD13 LEU 29 3HD1 LEU 29 -9.750 -2.903 5.857 216 HD21 LEU 29 1HD2 LEU 29 -9.200 -2.985 9.052 217 HD22 LEU 29 2HD2 LEU 29 -10.615 -3.824 9.685 218 HD23 LEU 29 3HD2 LEU 29 -10.812 -2.328 8.771 219 H ARG 30 H ARG 30 -11.395 -8.251 7.111 220 HA ARG 30 HA ARG 30 -14.106 -8.793 7.449 221 HB2 ARG 30 1HB ARG 30 -11.810 -10.553 6.598 222 HB3 ARG 30 2HB ARG 30 -13.478 -11.111 6.600 223 HG2 ARG 30 1HG ARG 30 -14.101 -9.496 4.964 224 HG3 ARG 30 2HG ARG 30 -12.535 -8.690 5.085 225 HD2 ARG 30 1HD ARG 30 -12.278 -9.952 3.169 226 HD3 ARG 30 2HD ARG 30 -11.584 -11.008 4.400 227 HE ARG 30 HE ARG 30 -14.379 -11.475 3.930 228 HH11 ARG 30 1HH1 ARG 30 -11.142 -12.215 2.882 229 HH12 ARG 30 2HH1 ARG 30 -11.580 -13.729 2.164 230 HH21 ARG 30 1HH2 ARG 30 -14.969 -13.466 2.988 231 HH22 ARG 30 2HH2 ARG 30 -13.758 -14.439 2.224 232 H ARG 31 H ARG 31 -11.304 -9.941 9.243 233 HA ARG 31 HA ARG 31 -12.835 -11.805 10.818 234 HB2 ARG 31 1HB ARG 31 -10.704 -11.999 12.131 235 HB3 ARG 31 2HB ARG 31 -10.546 -12.361 10.417 236 HG2 ARG 31 1HG ARG 31 -9.491 -10.280 9.987 237 HG3 ARG 31 2HG ARG 31 -9.879 -9.681 11.601 238 HD2 ARG 31 1HD ARG 31 -8.499 -11.758 12.383 239 HD3 ARG 31 2HD ARG 31 -7.823 -11.676 10.757 240 HE ARG 31 HE ARG 31 -6.646 -9.815 11.380 241 HH11 ARG 31 1HH1 ARG 31 -9.164 -10.404 13.712 242 HH12 ARG 31 2HH1 ARG 31 -8.604 -9.191 14.816 243 HH21 ARG 31 1HH2 ARG 31 -5.900 -8.216 12.825 244 HH22 ARG 31 2HH2 ARG 31 -6.748 -7.946 14.310 245 H ARG 32 H ARG 32 -11.783 -8.493 11.083 246 HA ARG 32 HA ARG 32 -12.075 -8.132 13.849 247 HB2 ARG 32 1HB ARG 32 -12.196 -6.289 11.486 248 HB3 ARG 32 2HB ARG 32 -12.587 -5.689 13.092 249 HG2 ARG 32 1HG ARG 32 -10.290 -6.806 13.712 250 HG3 ARG 32 2HG ARG 32 -9.984 -6.597 11.986 251 HD2 ARG 32 1HD ARG 32 -10.345 -4.237 12.142 252 HD3 ARG 32 2HD ARG 32 -10.906 -4.382 13.807 253 HE ARG 32 HE ARG 32 -8.173 -4.350 12.885 254 HH11 ARG 32 1HH1 ARG 32 -10.345 -5.215 15.465 255 HH12 ARG 32 2HH1 ARG 32 -9.115 -5.190 16.685 256 HH21 ARG 32 1HH2 ARG 32 -6.544 -4.313 14.482 257 HH22 ARG 32 2HH2 ARG 32 -6.954 -4.677 16.125 258 H GLY 33 H GLY 33 -14.404 -7.804 11.196 259 HA2 GLY 33 1HA GLY 33 -16.683 -8.654 11.867 260 HA3 GLY 33 2HA GLY 33 -16.539 -7.543 13.221 261 H LEU 34 H LEU 34 -15.662 -7.050 9.821 262 HA LEU 34 HA LEU 34 -17.789 -5.031 9.628 263 HB2 LEU 34 1HB LEU 34 -14.925 -4.712 8.740 264 HB3 LEU 34 2HB LEU 34 -16.226 -3.583 8.368 265 HG LEU 34 HG LEU 34 -15.409 -4.225 11.192 266 HD11 LEU 34 1HD1 LEU 34 -14.304 -2.149 9.316 267 HD12 LEU 34 2HD1 LEU 34 -13.422 -3.382 10.217 268 HD13 LEU 34 3HD1 LEU 34 -14.174 -2.034 11.071 269 HD21 LEU 34 1HD2 LEU 34 -16.905 -1.925 9.937 270 HD22 LEU 34 2HD2 LEU 34 -16.473 -2.056 11.642 271 HD23 LEU 34 3HD2 LEU 34 -17.598 -3.212 10.926 272 HA PRO 35 HA PRO 35 -18.759 -7.024 5.825 273 HB2 PRO 35 1HB PRO 35 -20.095 -5.000 4.605 274 HB3 PRO 35 2HB PRO 35 -20.778 -5.933 5.942 275 HG2 PRO 35 1HG PRO 35 -19.470 -3.241 5.985 276 HG3 PRO 35 2HG PRO 35 -20.933 -3.787 6.824 277 HD2 PRO 35 1HD PRO 35 -18.531 -3.594 8.059 278 HD3 PRO 35 2HD PRO 35 -19.736 -4.821 8.501 279 H VAL 36 H VAL 36 -16.530 -7.155 5.108 280 HA VAL 36 HA VAL 36 -15.915 -5.176 3.012 281 HB VAL 36 HB VAL 36 -13.458 -5.984 3.497 282 HG11 VAL 36 1HG1 VAL 36 -14.970 -3.977 5.160 283 HG12 VAL 36 2HG1 VAL 36 -13.211 -4.093 5.105 284 HG13 VAL 36 3HG1 VAL 36 -14.114 -3.686 3.646 285 HG21 VAL 36 1HG2 VAL 36 -14.460 -6.115 6.304 286 HG22 VAL 36 2HG2 VAL 36 -14.506 -7.565 5.301 287 HG23 VAL 36 3HG2 VAL 36 -12.970 -6.757 5.609 288 H ALA 37 H ALA 37 -15.861 -6.020 1.044 289 HA ALA 37 HA ALA 37 -15.479 -8.923 0.764 290 HB1 ALA 37 1HB ALA 37 -16.395 -8.073 -1.667 291 HB2 ALA 37 2HB ALA 37 -17.398 -8.723 -0.369 292 HB3 ALA 37 3HB ALA 37 -17.216 -6.979 -0.555 293 H ARG 38 H ARG 38 -14.258 -5.806 -0.194 294 HA ARG 38 HA ARG 38 -11.797 -6.942 -1.087 295 HB2 ARG 38 1HB ARG 38 -11.865 -6.218 -3.397 296 HB3 ARG 38 2HB ARG 38 -13.203 -7.318 -3.088 297 HG2 ARG 38 1HG ARG 38 -14.694 -5.353 -2.836 298 HG3 ARG 38 2HG ARG 38 -13.342 -4.320 -3.305 299 HD2 ARG 38 1HD ARG 38 -14.049 -6.605 -5.071 300 HD3 ARG 38 2HD ARG 38 -15.108 -5.195 -5.070 301 HE ARG 38 HE ARG 38 -12.569 -4.195 -5.364 302 HH11 ARG 38 1HH1 ARG 38 -14.589 -6.446 -7.087 303 HH12 ARG 38 2HH1 ARG 38 -13.886 -6.094 -8.632 304 HH21 ARG 38 1HH2 ARG 38 -11.636 -3.723 -7.391 305 HH22 ARG 38 2HH2 ARG 38 -12.206 -4.545 -8.802 306 H VAL 39 H VAL 39 -10.398 -5.119 -2.123 307 HA VAL 39 HA VAL 39 -9.805 -3.193 -0.345 308 HB VAL 39 HB VAL 39 -9.623 -3.068 -3.346 309 HG11 VAL 39 1HG1 VAL 39 -9.217 -0.917 -1.402 310 HG12 VAL 39 2HG1 VAL 39 -7.843 -1.192 -2.476 311 HG13 VAL 39 3HG1 VAL 39 -9.435 -0.842 -3.149 312 HG21 VAL 39 1HG2 VAL 39 -7.739 -3.685 -1.096 313 HG22 VAL 39 2HG2 VAL 39 -8.123 -4.652 -2.521 314 HG23 VAL 39 3HG2 VAL 39 -7.139 -3.197 -2.682 315 H ALA 40 H ALA 40 -11.798 -2.458 -3.215 316 HA ALA 40 HA ALA 40 -12.586 0.061 -2.764 317 HB1 ALA 40 1HB ALA 40 -14.719 -1.932 -3.425 318 HB2 ALA 40 2HB ALA 40 -14.459 -0.313 -4.079 319 HB3 ALA 40 3HB ALA 40 -13.388 -1.635 -4.543 320 H ASP 41 H ASP 41 -13.837 -2.763 -1.050 321 HA ASP 41 HA ASP 41 -15.721 -1.231 0.490 322 HB2 ASP 41 1HB ASP 41 -14.724 -4.054 0.931 323 HB3 ASP 41 2HB ASP 41 -16.139 -3.323 1.683 324 H ALA 42 H ALA 42 -12.543 -2.678 1.058 325 HA ALA 42 HA ALA 42 -12.450 -1.755 3.791 326 HB1 ALA 42 1HB ALA 42 -9.947 -2.526 3.398 327 HB2 ALA 42 2HB ALA 42 -11.251 -3.686 3.656 328 HB3 ALA 42 3HB ALA 42 -10.682 -3.350 2.022 329 H ILE 43 H ILE 43 -12.236 -0.157 0.975 330 HA ILE 43 HA ILE 43 -9.891 1.362 1.127 331 HB ILE 43 HB ILE 43 -12.518 1.690 -0.207 332 HG12 ILE 43 1HG1 ILE 43 -9.626 1.895 -1.067 333 HG13 ILE 43 2HG1 ILE 43 -10.719 0.546 -1.352 334 HG21 ILE 43 1HG2 ILE 43 -12.327 3.883 0.717 335 HG22 ILE 43 2HG2 ILE 43 -10.625 3.983 0.269 336 HG23 ILE 43 3HG2 ILE 43 -11.867 3.975 -0.983 337 HD11 ILE 43 1HD1 ILE 43 -11.011 1.486 -3.352 338 HD12 ILE 43 2HD1 ILE 43 -12.073 2.606 -2.499 339 HD13 ILE 43 3HD1 ILE 43 -10.396 3.049 -2.816 340 HA PRO 44 HA PRO 44 -12.418 4.682 3.566 341 HB2 PRO 44 1HB PRO 44 -14.861 3.951 4.499 342 HB3 PRO 44 2HB PRO 44 -14.618 4.677 2.906 343 HG2 PRO 44 1HG PRO 44 -14.969 1.796 3.642 344 HG3 PRO 44 2HG PRO 44 -15.683 2.701 2.295 345 HD2 PRO 44 1HD PRO 44 -13.543 1.072 1.984 346 HD3 PRO 44 2HD PRO 44 -13.776 2.538 1.010 347 H TYR 45 H TYR 45 -13.022 1.337 4.576 348 HA TYR 45 HA TYR 45 -12.912 1.872 7.365 349 HB2 TYR 45 1HB TYR 45 -12.448 -0.742 5.917 350 HB3 TYR 45 2HB TYR 45 -12.804 -0.554 7.630 351 HD1 TYR 45 2HD TYR 45 -15.010 1.211 7.817 352 HD2 TYR 45 1HD TYR 45 -14.226 -1.689 4.803 353 HE1 TYR 45 2HE TYR 45 -17.418 1.070 7.335 354 HE2 TYR 45 1HE TYR 45 -16.632 -1.836 4.311 355 HH TYR 45 HH TYR 45 -18.823 -1.366 5.682 356 H CYS 46 H CYS 46 -10.554 2.141 5.121 357 HA CYS 46 HA CYS 46 -8.440 1.394 7.033 358 HB2 CYS 46 1HB CYS 46 -8.539 1.220 4.036 359 HB3 CYS 46 2HB CYS 46 -6.995 1.354 4.868 360 HG CYS 46 HG CYS 46 -8.694 -0.996 6.354 361 H SER 47 H SER 47 -9.631 3.788 4.767 362 HA SER 47 HA SER 47 -7.670 5.588 4.460 363 HB2 SER 47 1HB SER 47 -9.305 7.320 4.334 364 HB3 SER 47 2HB SER 47 -10.113 5.843 3.807 365 HG SER 47 HG SER 47 -11.079 7.373 5.531 366 H SER 48 H SER 48 -9.220 4.800 7.477 367 HA SER 48 HA SER 48 -8.200 7.029 8.945 368 HB2 SER 48 1HB SER 48 -8.902 5.694 10.946 369 HB3 SER 48 2HB SER 48 -10.183 5.909 9.752 370 HG SER 48 HG SER 48 -10.052 3.746 10.481 371 H ASP 49 H ASP 49 -7.331 3.573 8.880 372 HA ASP 49 HA ASP 49 -5.081 3.797 10.545 373 HB2 ASP 49 1HB ASP 49 -5.567 1.763 8.359 374 HB3 ASP 49 2HB ASP 49 -4.455 1.591 9.714 375 H TRP 50 H TRP 50 -5.415 3.957 7.027 376 HA TRP 50 HA TRP 50 -2.712 4.045 6.351 377 HB2 TRP 50 1HB TRP 50 -4.437 3.757 4.665 378 HB3 TRP 50 2HB TRP 50 -5.071 5.366 4.997 379 HD1 TRP 50 HD TRP 50 -4.081 7.317 3.623 380 HE1 TRP 50 1HE TRP 50 -2.167 7.550 1.918 381 HE3 TRP 50 3HE TRP 50 -1.960 2.695 4.147 382 HZ2 TRP 50 2HZ TRP 50 -0.039 5.983 0.927 383 HZ3 TRP 50 3HZ TRP 50 0.011 2.141 2.783 384 HH2 TRP 50 HH TRP 50 0.950 3.753 1.207 385 H ALA 51 H ALA 51 -4.859 6.558 7.517 386 HA ALA 51 HA ALA 51 -3.166 8.760 6.946 387 HB1 ALA 51 1HB ALA 51 -5.714 8.334 8.170 388 HB2 ALA 51 2HB ALA 51 -4.742 9.393 9.192 389 HB3 ALA 51 3HB ALA 51 -5.032 9.820 7.506 390 H LEU 52 H LEU 52 -2.962 6.275 9.240 391 HA LEU 52 HA LEU 52 -1.495 7.823 11.206 392 HB2 LEU 52 1HB LEU 52 -2.040 4.864 11.023 393 HB3 LEU 52 2HB LEU 52 -1.269 5.675 12.385 394 HG LEU 52 HG LEU 52 -4.124 6.012 11.471 395 HD11 LEU 52 1HD1 LEU 52 -2.785 4.492 13.654 396 HD12 LEU 52 2HD1 LEU 52 -4.144 4.035 12.628 397 HD13 LEU 52 3HD1 LEU 52 -4.381 5.185 13.945 398 HD21 LEU 52 1HD2 LEU 52 -4.149 7.271 13.766 399 HD22 LEU 52 2HD2 LEU 52 -3.666 8.107 12.290 400 HD23 LEU 52 3HD2 LEU 52 -2.439 7.520 13.414 401 H LEU 53 H LEU 53 -0.851 5.847 8.452 402 HA LEU 53 HA LEU 53 1.758 4.999 9.025 403 HB2 LEU 53 1HB LEU 53 0.214 5.479 6.517 404 HB3 LEU 53 2HB LEU 53 1.942 5.147 6.418 405 HG LEU 53 HG LEU 53 0.005 3.305 7.802 406 HD11 LEU 53 1HD1 LEU 53 0.757 2.128 5.410 407 HD12 LEU 53 2HD1 LEU 53 0.357 3.788 4.972 408 HD13 LEU 53 3HD1 LEU 53 -0.829 2.787 5.808 409 HD21 LEU 53 1HD2 LEU 53 2.712 3.392 7.919 410 HD22 LEU 53 2HD2 LEU 53 2.469 2.313 6.545 411 HD23 LEU 53 3HD2 LEU 53 1.753 1.924 8.110 412 H ARG 54 H ARG 54 3.773 5.796 8.090 413 HA ARG 54 HA ARG 54 3.846 8.736 8.097 414 HB2 ARG 54 1HB ARG 54 6.232 6.941 8.472 415 HB3 ARG 54 2HB ARG 54 6.046 8.626 8.937 416 HG2 ARG 54 1HG ARG 54 4.259 7.816 10.557 417 HG3 ARG 54 2HG ARG 54 4.874 6.193 10.238 418 HD2 ARG 54 1HD ARG 54 7.093 6.874 10.978 419 HD3 ARG 54 2HD ARG 54 6.507 8.515 11.257 420 HE ARG 54 HE ARG 54 4.944 6.705 12.736 421 HH11 ARG 54 1HH1 ARG 54 8.152 8.055 12.659 422 HH12 ARG 54 2HH1 ARG 54 8.400 7.898 14.365 423 HH21 ARG 54 1HH2 ARG 54 5.258 6.494 14.985 424 HH22 ARG 54 2HH2 ARG 54 6.754 7.009 15.687 425 H GLU 55 H GLU 55 5.527 9.743 6.715 426 HA GLU 55 HA GLU 55 5.167 9.269 4.050 427 HB2 GLU 55 1HB GLU 55 6.349 11.231 5.219 428 HB3 GLU 55 2HB GLU 55 7.809 10.258 5.100 429 HG2 GLU 55 1HG GLU 55 7.691 10.249 2.713 430 HG3 GLU 55 2HG GLU 55 6.108 11.024 2.741 431 H GLU 56 H GLU 56 7.818 8.023 6.064 432 HA GLU 56 HA GLU 56 9.261 6.683 4.121 433 HB2 GLU 56 1HB GLU 56 9.995 6.971 6.463 434 HB3 GLU 56 2HB GLU 56 8.795 5.790 6.971 435 HG2 GLU 56 1HG GLU 56 9.963 4.019 6.107 436 HG3 GLU 56 2HG GLU 56 10.795 5.011 4.911 437 H GLU 57 H GLU 57 6.632 5.387 6.146 438 HA GLU 57 HA GLU 57 6.556 2.822 5.074 439 HB2 GLU 57 1HB GLU 57 4.124 4.353 5.994 440 HB3 GLU 57 2HB GLU 57 4.377 2.613 6.033 441 HG2 GLU 57 1HG GLU 57 5.511 4.728 7.805 442 HG3 GLU 57 2HG GLU 57 4.689 3.227 8.233 443 H LYS 58 H LYS 58 4.552 5.629 4.170 444 HA LYS 58 HA LYS 58 3.103 4.516 2.118 445 HB2 LYS 58 1HB LYS 58 4.252 7.313 2.123 446 HB3 LYS 58 2HB LYS 58 2.839 6.763 1.230 447 HG2 LYS 58 1HG LYS 58 1.866 6.174 3.531 448 HG3 LYS 58 2HG LYS 58 3.147 7.203 4.175 449 HD2 LYS 58 1HD LYS 58 2.303 9.112 3.111 450 HD3 LYS 58 2HD LYS 58 1.304 8.162 2.008 451 HE2 LYS 58 1HE LYS 58 0.038 7.388 4.072 452 HE3 LYS 58 2HE LYS 58 0.885 8.666 4.943 453 HZ1 LYS 58 1HZ LYS 58 -1.441 9.087 3.855 454 HZ2 LYS 58 2HZ LYS 58 -0.516 9.362 2.467 455 HZ3 LYS 58 3HZ LYS 58 -0.254 10.293 3.855 456 H GLU 59 H GLU 59 6.323 6.006 1.918 457 HA GLU 59 HA GLU 59 6.691 5.746 -0.838 458 HB2 GLU 59 1HB GLU 59 8.130 7.034 0.811 459 HB3 GLU 59 2HB GLU 59 8.884 5.500 1.219 460 HG2 GLU 59 1HG GLU 59 9.894 5.295 -0.854 461 HG3 GLU 59 2HG GLU 59 8.775 6.419 -1.622 462 H LYS 60 H LYS 60 7.751 3.566 1.773 463 HA LYS 60 HA LYS 60 8.948 1.597 0.270 464 HB2 LYS 60 1HB LYS 60 9.134 1.398 2.604 465 HB3 LYS 60 2HB LYS 60 7.394 1.492 2.841 466 HG2 LYS 60 1HG LYS 60 7.220 -0.729 1.681 467 HG3 LYS 60 2HG LYS 60 8.981 -0.818 1.755 468 HD2 LYS 60 1HD LYS 60 8.700 -0.402 4.272 469 HD3 LYS 60 2HD LYS 60 7.001 -0.805 4.014 470 HE2 LYS 60 1HE LYS 60 7.924 -2.846 4.608 471 HE3 LYS 60 2HE LYS 60 7.928 -2.919 2.848 472 HZ1 LYS 60 1HZ LYS 60 10.269 -2.069 4.457 473 HZ2 LYS 60 2HZ LYS 60 10.232 -2.404 2.800 474 HZ3 LYS 60 3HZ LYS 60 10.029 -3.655 3.920 475 H TYR 61 H TYR 61 5.530 1.671 1.288 476 HA TYR 61 HA TYR 61 4.682 -0.615 -0.032 477 HB2 TYR 61 1HB TYR 61 3.330 1.882 0.887 478 HB3 TYR 61 2HB TYR 61 2.436 0.789 -0.164 479 HD1 TYR 61 2HD TYR 61 1.779 -1.421 0.607 480 HD2 TYR 61 1HD TYR 61 3.930 1.228 3.148 481 HE1 TYR 61 2HE TYR 61 1.202 -2.821 2.545 482 HE2 TYR 61 1HE TYR 61 3.361 -0.165 5.094 483 HH TYR 61 HH TYR 61 2.417 -3.184 4.979 484 H ALA 62 H ALA 62 4.954 2.701 -1.231 485 HA ALA 62 HA ALA 62 3.768 2.237 -3.754 486 HB1 ALA 62 1HB ALA 62 5.377 4.324 -4.267 487 HB2 ALA 62 2HB ALA 62 3.841 4.468 -3.411 488 HB3 ALA 62 3HB ALA 62 5.351 4.390 -2.504 489 H GLU 63 H GLU 63 7.117 2.109 -2.619 490 HA GLU 63 HA GLU 63 8.359 1.747 -5.103 491 HB2 GLU 63 1HB GLU 63 9.086 1.168 -2.273 492 HB3 GLU 63 2HB GLU 63 10.051 0.417 -3.536 493 HG2 GLU 63 1HG GLU 63 10.822 2.450 -4.337 494 HG3 GLU 63 2HG GLU 63 9.512 3.356 -3.583 495 H MET 64 H MET 64 7.250 -0.667 -2.733 496 HA MET 64 HA MET 64 7.970 -2.924 -4.263 497 HB2 MET 64 1HB MET 64 6.645 -4.203 -2.718 498 HB3 MET 64 2HB MET 64 7.478 -2.944 -1.816 499 HG2 MET 64 1HG MET 64 5.538 -1.738 -1.452 500 HG3 MET 64 2HG MET 64 4.691 -2.507 -2.791 501 HE1 MET 64 1HE MET 64 5.834 -4.746 1.035 502 HE2 MET 64 2HE MET 64 6.825 -3.613 0.114 503 HE3 MET 64 3HE MET 64 5.567 -3.009 1.195 504 H ALA 65 H ALA 65 5.132 -0.884 -4.231 505 HA ALA 65 HA ALA 65 3.411 -2.598 -5.683 506 HB1 ALA 65 1HB ALA 65 2.080 -0.999 -4.868 507 HB2 ALA 65 2HB ALA 65 3.392 0.176 -4.776 508 HB3 ALA 65 3HB ALA 65 2.542 -0.078 -6.300 509 H ARG 66 H ARG 66 5.249 0.267 -6.764 510 HA ARG 66 HA ARG 66 4.703 -0.012 -9.489 511 HB2 ARG 66 1HB ARG 66 6.710 1.413 -9.833 512 HB3 ARG 66 2HB ARG 66 5.607 2.047 -8.620 513 HG2 ARG 66 1HG ARG 66 7.104 0.937 -6.895 514 HG3 ARG 66 2HG ARG 66 8.265 0.721 -8.206 515 HD2 ARG 66 1HD ARG 66 8.744 2.748 -6.940 516 HD3 ARG 66 2HD ARG 66 8.279 3.132 -8.597 517 HE ARG 66 HE ARG 66 6.780 3.717 -6.178 518 HH11 ARG 66 1HH1 ARG 66 6.836 3.601 -9.656 519 HH12 ARG 66 2HH1 ARG 66 5.499 4.686 -9.845 520 HH21 ARG 66 1HH2 ARG 66 5.019 5.147 -6.412 521 HH22 ARG 66 2HH2 ARG 66 4.466 5.566 -7.999 522 H GLU 67 H GLU 67 7.641 -0.987 -7.714 523 HA GLU 67 HA GLU 67 8.994 -2.208 -9.787 524 HB2 GLU 67 1HB GLU 67 8.926 -3.048 -6.883 525 HB3 GLU 67 2HB GLU 67 10.140 -3.546 -8.053 526 HG2 GLU 67 1HG GLU 67 9.671 -0.643 -7.568 527 HG3 GLU 67 2HG GLU 67 10.615 -1.584 -6.414 528 H TRP 68 H TRP 68 6.517 -3.573 -7.663 529 HA TRP 68 HA TRP 68 6.661 -6.224 -8.573 530 HB2 TRP 68 1HB TRP 68 5.468 -5.755 -6.551 531 HB3 TRP 68 2HB TRP 68 4.383 -4.641 -7.379 532 HD1 TRP 68 HD TRP 68 5.167 -8.429 -7.257 533 HE1 TRP 68 1HE TRP 68 3.014 -9.708 -7.849 534 HE3 TRP 68 3HE TRP 68 2.154 -4.459 -8.393 535 HZ2 TRP 68 2HZ TRP 68 0.385 -9.112 -8.688 536 HZ3 TRP 68 3HZ TRP 68 -0.167 -4.899 -9.082 537 HH2 TRP 68 HH TRP 68 -1.030 -7.178 -9.226 538 H ARG 69 H ARG 69 4.494 -3.578 -9.574 539 HA ARG 69 HA ARG 69 3.094 -4.976 -11.539 540 HB2 ARG 69 1HB ARG 69 3.666 -2.094 -11.020 541 HB3 ARG 69 2HB ARG 69 2.971 -2.538 -12.573 542 HG2 ARG 69 1HG ARG 69 1.250 -3.839 -11.105 543 HG3 ARG 69 2HG ARG 69 1.794 -2.733 -9.844 544 HD2 ARG 69 1HD ARG 69 0.084 -1.501 -10.715 545 HD3 ARG 69 2HD ARG 69 1.402 -0.940 -11.743 546 HE ARG 69 HE ARG 69 -0.049 -3.211 -12.774 547 HH11 ARG 69 1HH1 ARG 69 0.186 0.259 -12.644 548 HH12 ARG 69 2HH1 ARG 69 -0.689 0.505 -14.120 549 HH21 ARG 69 1HH2 ARG 69 -1.202 -2.902 -14.718 550 HH22 ARG 69 2HH2 ARG 69 -1.479 -1.294 -15.298 551 H ALA 70 H ALA 70 6.130 -3.175 -11.737 552 HA ALA 70 HA ALA 70 6.452 -3.382 -14.539 553 HB1 ALA 70 1HB ALA 70 8.513 -2.407 -14.242 554 HB2 ALA 70 2HB ALA 70 7.675 -1.886 -12.780 555 HB3 ALA 70 3HB ALA 70 8.807 -3.237 -12.713 556 H ALA 71 H ALA 71 7.791 -5.300 -11.857 557 HA ALA 71 HA ALA 71 9.261 -7.100 -13.431 558 HB1 ALA 71 1HB ALA 71 8.118 -8.191 -10.955 559 HB2 ALA 71 2HB ALA 71 9.798 -8.079 -11.479 560 HB3 ALA 71 3HB ALA 71 9.002 -6.675 -10.768 561 H GLN 72 H GLN 72 5.881 -7.002 -12.544 562 HA GLN 72 HA GLN 72 5.336 -9.686 -13.430 563 HB2 GLN 72 1HB GLN 72 3.588 -7.384 -12.579 564 HB3 GLN 72 2HB GLN 72 2.917 -8.891 -13.189 565 HG2 GLN 72 1HG GLN 72 4.672 -8.580 -10.764 566 HG3 GLN 72 2HG GLN 72 2.932 -8.862 -10.766 567 HE21 GLN 72 1HE2 GLN 72 5.976 -10.279 -10.721 568 HE22 GLN 72 2HE2 GLN 72 5.500 -11.918 -10.985 569 H GLY 73 H GLY 73 5.397 -6.520 -14.838 570 HA2 GLY 73 1HA GLY 73 5.512 -7.240 -17.454 571 HA3 GLY 73 2HA GLY 73 3.785 -7.215 -17.125 572 H LYS 74 H LYS 74 6.717 -5.233 -16.940 573 HA LYS 74 HA LYS 74 5.626 -2.774 -16.370 574 HB2 LYS 74 1HB LYS 74 7.542 -1.799 -17.603 575 HB3 LYS 74 2HB LYS 74 8.021 -3.096 -16.515 576 HG2 LYS 74 1HG LYS 74 8.216 -4.633 -18.363 577 HG3 LYS 74 2HG LYS 74 7.607 -3.411 -19.482 578 HD2 LYS 74 1HD LYS 74 9.548 -2.085 -19.243 579 HD3 LYS 74 2HD LYS 74 10.082 -2.988 -17.823 580 HE2 LYS 74 1HE LYS 74 10.141 -5.011 -19.440 581 HE3 LYS 74 2HE LYS 74 10.139 -3.788 -20.709 582 HZ1 LYS 74 1HZ LYS 74 12.043 -3.058 -18.795 583 HZ2 LYS 74 2HZ LYS 74 12.299 -3.521 -20.401 584 HZ3 LYS 74 3HZ LYS 74 12.299 -4.687 -19.175 585 H ASP 75 H ASP 75 5.253 -0.913 -17.821 586 HA ASP 75 HA ASP 75 3.649 -1.757 -20.128 587 HB2 ASP 75 1HB ASP 75 2.713 -0.306 -18.214 588 HB3 ASP 75 2HB ASP 75 3.656 1.002 -18.922 589 HA PRO 76 HA PRO 76 6.632 -0.163 -22.953 590 HB2 PRO 76 1HB PRO 76 5.018 0.130 -25.116 591 HB3 PRO 76 2HB PRO 76 5.579 -1.445 -24.542 592 HG2 PRO 76 1HG PRO 76 2.950 -0.088 -24.084 593 HG3 PRO 76 2HG PRO 76 3.279 -1.786 -24.479 594 HD2 PRO 76 1HD PRO 76 2.735 -0.954 -21.959 595 HD3 PRO 76 2HD PRO 76 3.820 -2.317 -22.301 596 H GLY 77 H GLY 77 4.180 1.619 -21.581 597 HA2 GLY 77 1HA GLY 77 3.959 3.905 -23.160 598 HA3 GLY 77 2HA GLY 77 3.784 3.873 -21.412 599 HA PRO 78 HA PRO 78 7.412 6.558 -22.389 600 HB2 PRO 78 1HB PRO 78 6.767 8.472 -20.574 601 HB3 PRO 78 2HB PRO 78 6.117 8.448 -22.217 602 HG2 PRO 78 1HG PRO 78 4.857 7.513 -19.669 603 HG3 PRO 78 2HG PRO 78 4.137 8.439 -20.998 604 HD2 PRO 78 1HD PRO 78 3.757 5.775 -20.707 605 HD3 PRO 78 2HD PRO 78 3.811 6.563 -22.296 606 H SER 79 H SER 79 6.371 4.635 -19.884 607 HA SER 79 HA SER 79 7.921 5.390 -17.696 608 HB2 SER 79 1HB SER 79 7.610 3.158 -16.870 609 HB3 SER 79 2HB SER 79 6.139 3.606 -17.733 610 HG SER 79 HG SER 79 7.423 1.460 -18.132 611 H GLU 80 H GLU 80 9.882 4.363 -16.859 612 HA GLU 80 HA GLU 80 11.865 4.086 -18.984 613 HB2 GLU 80 1HB GLU 80 12.167 4.460 -16.000 614 HB3 GLU 80 2HB GLU 80 13.512 4.309 -17.123 615 HG2 GLU 80 1HG GLU 80 11.506 6.527 -16.909 616 HG3 GLU 80 2HG GLU 80 13.258 6.607 -16.725 617 H LYS 81 H LYS 81 13.328 2.359 -19.093 618 HA LYS 81 HA LYS 81 12.464 -0.067 -17.657 619 HB2 LYS 81 1HB LYS 81 13.527 0.242 -20.466 620 HB3 LYS 81 2HB LYS 81 13.375 -1.312 -19.656 621 HG2 LYS 81 1HG LYS 81 11.413 -1.281 -20.800 622 HG3 LYS 81 2HG LYS 81 10.891 -0.495 -19.308 623 HD2 LYS 81 1HD LYS 81 10.032 0.872 -20.998 624 HD3 LYS 81 2HD LYS 81 11.503 1.703 -20.486 625 HE2 LYS 81 1HE LYS 81 11.666 -0.265 -22.717 626 HE3 LYS 81 2HE LYS 81 10.964 1.321 -23.036 627 HZ1 LYS 81 1HZ LYS 81 13.717 0.597 -22.426 628 HZ2 LYS 81 2HZ LYS 81 13.157 2.043 -21.751 629 HZ3 LYS 81 3HZ LYS 81 13.115 1.821 -23.427 630 H GLN 82 H GLN 82 13.901 -0.349 -16.060 631 HA GLN 82 HA GLN 82 16.747 0.078 -16.616 632 HB2 GLN 82 1HB GLN 82 15.553 1.124 -14.599 633 HB3 GLN 82 2HB GLN 82 15.544 -0.496 -13.917 634 HG2 GLN 82 1HG GLN 82 17.837 -0.552 -13.669 635 HG3 GLN 82 2HG GLN 82 18.101 0.698 -14.883 636 HE21 GLN 82 1HE2 GLN 82 16.850 0.119 -11.643 637 HE22 GLN 82 2HE2 GLN 82 17.180 1.702 -11.035 638 H LYS 83 H LYS 83 18.302 -1.505 -16.091 639 HA LYS 83 HA LYS 83 17.743 -4.098 -16.874 640 HB2 LYS 83 1HB LYS 83 19.927 -4.685 -15.756 641 HB3 LYS 83 2HB LYS 83 20.003 -3.352 -16.902 642 HG2 LYS 83 1HG LYS 83 19.777 -1.805 -14.914 643 HG3 LYS 83 2HG LYS 83 20.055 -3.224 -13.903 644 HD2 LYS 83 1HD LYS 83 22.198 -2.419 -14.117 645 HD3 LYS 83 2HD LYS 83 22.133 -3.548 -15.473 646 HE2 LYS 83 1HE LYS 83 21.469 -0.627 -15.753 647 HE3 LYS 83 2HE LYS 83 23.106 -1.251 -15.946 648 HZ1 LYS 83 1HZ LYS 83 22.437 -1.401 -18.081 649 HZ2 LYS 83 2HZ LYS 83 20.795 -1.531 -17.694 650 HZ3 LYS 83 3HZ LYS 83 21.803 -2.883 -17.564 651 HA PRO 84 HA PRO 84 15.761 -6.000 -13.435 652 HB2 PRO 84 1HB PRO 84 16.382 -8.591 -13.956 653 HB3 PRO 84 2HB PRO 84 15.186 -7.685 -14.889 654 HG2 PRO 84 1HG PRO 84 18.048 -8.274 -15.543 655 HG3 PRO 84 2HG PRO 84 16.624 -8.337 -16.597 656 HD2 PRO 84 1HD PRO 84 18.350 -6.250 -16.602 657 HD3 PRO 84 2HD PRO 84 16.617 -6.056 -16.933 658 H VAL 85 H VAL 85 16.215 -6.753 -11.397 659 HA VAL 85 HA VAL 85 19.057 -6.907 -10.698 660 HB VAL 85 HB VAL 85 16.630 -6.548 -8.934 661 HG11 VAL 85 1HG1 VAL 85 17.931 -7.252 -7.271 662 HG12 VAL 85 2HG1 VAL 85 19.346 -7.325 -8.322 663 HG13 VAL 85 3HG1 VAL 85 18.913 -5.809 -7.530 664 HG21 VAL 85 1HG2 VAL 85 16.834 -4.486 -9.881 665 HG22 VAL 85 2HG2 VAL 85 18.010 -4.307 -8.579 666 HG23 VAL 85 3HG2 VAL 85 18.554 -4.684 -10.214 667 H PHE 86 H PHE 86 19.933 -8.851 -10.507 668 HA PHE 86 HA PHE 86 18.258 -11.056 -9.496 669 HB2 PHE 86 1HB PHE 86 19.509 -12.598 -10.901 670 HB3 PHE 86 2HB PHE 86 18.813 -11.322 -11.895 671 HD1 PHE 86 1HD PHE 86 21.956 -12.301 -10.170 672 HD2 PHE 86 2HD PHE 86 20.155 -10.125 -13.354 673 HE1 PHE 86 1HE PHE 86 24.184 -11.813 -11.093 674 HE2 PHE 86 2HE PHE 86 22.380 -9.635 -14.283 675 HZ PHE 86 HZ PHE 86 24.398 -10.479 -13.152 676 H THR 87 H THR 87 19.401 -12.728 -8.316 677 HA THR 87 HA THR 87 22.090 -12.404 -7.465 678 HB THR 87 HB THR 87 21.069 -10.528 -6.198 679 HG1 THR 87 1HG THR 87 22.472 -11.006 -4.690 680 HG21 THR 87 1HG2 THR 87 19.761 -12.098 -4.176 681 HG22 THR 87 2HG2 THR 87 19.008 -12.384 -5.744 682 HG23 THR 87 3HG2 THR 87 19.133 -10.742 -5.113 683 H SER 88 H SER 88 22.734 -14.015 -5.886 684 HA SER 88 HA SER 88 20.875 -16.301 -5.841 685 HB2 SER 88 1HB SER 88 23.889 -16.191 -5.973 686 HB3 SER 88 2HB SER 88 23.015 -17.666 -5.560 687 HG SER 88 HG SER 88 21.822 -17.170 -7.622 688 H GLY 89 H GLY 89 20.915 -17.688 -3.970 689 HA2 GLY 89 1HA GLY 89 21.346 -16.146 -1.520 690 HA3 GLY 89 2HA GLY 89 20.386 -17.610 -1.668 691 HA PRO 90 HA PRO 90 24.952 -18.342 -0.299 692 HB2 PRO 90 1HB PRO 90 24.769 -18.021 2.391 693 HB3 PRO 90 2HB PRO 90 25.226 -16.710 1.296 694 HG2 PRO 90 1HG PRO 90 22.568 -17.299 2.543 695 HG3 PRO 90 2HG PRO 90 23.392 -15.741 2.347 696 HD2 PRO 90 1HD PRO 90 21.402 -16.552 0.700 697 HD3 PRO 90 2HD PRO 90 22.744 -15.531 0.145 698 H SER 91 H SER 91 24.668 -20.492 -0.748 699 HA SER 91 HA SER 91 22.837 -22.284 0.116 700 HB2 SER 91 1HB SER 91 24.627 -24.037 -0.067 701 HB3 SER 91 2HB SER 91 24.544 -22.947 -1.452 702 HG SER 91 HG SER 91 26.242 -21.725 -0.256 703 H SER 92 H SER 92 25.624 -21.131 1.937 704 HA SER 92 HA SER 92 26.237 -21.346 4.119 705 HB2 SER 92 1HB SER 92 23.235 -21.566 4.325 706 HB3 SER 92 2HB SER 92 24.273 -21.579 5.751 707 HG SER 92 HG SER 92 23.945 -19.519 3.840 708 H GLY 93 H GLY 93 26.426 -23.690 2.531 709 HA2 GLY 93 1HA GLY 93 27.354 -25.748 3.410 710 HA3 GLY 93 2HA GLY 93 26.102 -25.723 4.644 Start of MODEL 13 1 H1 GLY 1 H GLY 1 15.455 -5.590 -18.614 2 HA2 GLY 1 1HA GLY 1 14.612 -4.374 -16.841 3 HA3 GLY 1 2HA GLY 1 15.897 -5.029 -15.837 4 H SER 2 H SER 2 14.723 -2.245 -16.374 5 HA SER 2 HA SER 2 17.231 -0.857 -16.159 6 HB2 SER 2 1HB SER 2 15.637 -0.772 -18.671 7 HB3 SER 2 2HB SER 2 16.320 0.748 -18.096 8 HG SER 2 HG SER 2 17.808 -0.260 -19.435 9 H SER 3 H SER 3 16.939 1.439 -15.667 10 HA SER 3 HA SER 3 14.750 1.830 -13.885 11 HB2 SER 3 1HB SER 3 17.048 3.539 -14.800 12 HB3 SER 3 2HB SER 3 15.756 4.228 -13.818 13 HG SER 3 HG SER 3 16.873 1.829 -12.951 14 H GLY 4 H GLY 4 12.794 2.605 -14.310 15 HA2 GLY 4 1HA GLY 4 12.248 4.776 -16.011 16 HA3 GLY 4 2HA GLY 4 11.937 3.289 -16.895 17 H SER 5 H SER 5 9.835 2.887 -16.938 18 HA SER 5 HA SER 5 7.659 2.662 -16.313 19 HB2 SER 5 1HB SER 5 9.131 2.074 -13.765 20 HB3 SER 5 2HB SER 5 7.369 2.131 -13.770 21 HG SER 5 HG SER 5 7.438 0.553 -15.462 22 H SER 6 H SER 6 8.555 5.286 -16.563 23 HA SER 6 HA SER 6 6.660 6.637 -14.818 24 HB2 SER 6 1HB SER 6 8.942 6.731 -13.713 25 HB3 SER 6 2HB SER 6 9.472 7.711 -15.081 26 HG SER 6 HG SER 6 8.222 8.523 -12.911 27 H GLY 7 H GLY 7 6.662 9.101 -15.472 28 HA2 GLY 7 1HA GLY 7 7.460 10.196 -17.793 29 HA3 GLY 7 2HA GLY 7 6.180 9.118 -18.332 30 H MET 8 H MET 8 4.669 10.583 -18.951 31 HA MET 8 HA MET 8 4.054 12.999 -17.747 32 HB2 MET 8 1HB MET 8 1.815 12.755 -18.846 33 HB3 MET 8 2HB MET 8 3.182 12.496 -19.921 34 HG2 MET 8 1HG MET 8 2.847 9.999 -19.367 35 HG3 MET 8 2HG MET 8 1.254 10.505 -18.811 36 HE1 MET 8 1HE MET 8 -0.457 11.857 -20.372 37 HE2 MET 8 2HE MET 8 0.791 12.979 -20.914 38 HE3 MET 8 3HE MET 8 -0.205 12.128 -22.096 39 HA PRO 9 HA PRO 9 1.991 12.066 -13.984 40 HB2 PRO 9 1HB PRO 9 0.300 14.182 -13.809 41 HB3 PRO 9 2HB PRO 9 2.042 14.322 -13.549 42 HG2 PRO 9 1HG PRO 9 0.434 14.962 -15.991 43 HG3 PRO 9 2HG PRO 9 1.759 15.878 -15.253 44 HD2 PRO 9 1HD PRO 9 2.112 14.295 -17.422 45 HD3 PRO 9 2HD PRO 9 3.379 14.540 -16.203 46 H ASN 10 H ASN 10 0.236 12.391 -16.945 47 HA ASN 10 HA ASN 10 -2.350 11.754 -15.946 48 HB2 ASN 10 1HB ASN 10 -1.584 12.787 -18.251 49 HB3 ASN 10 2HB ASN 10 -1.547 11.099 -18.753 50 HD21 ASN 10 1HD2 ASN 10 -3.457 9.939 -18.875 51 HD22 ASN 10 2HD2 ASN 10 -5.005 10.706 -18.859 52 H ARG 11 H ARG 11 -3.012 9.873 -15.170 53 HA ARG 11 HA ARG 11 -2.268 7.391 -16.447 54 HB2 ARG 11 1HB ARG 11 -0.394 7.622 -14.943 55 HB3 ARG 11 2HB ARG 11 -1.465 7.981 -13.596 56 HG2 ARG 11 1HG ARG 11 -2.083 5.799 -13.321 57 HG3 ARG 11 2HG ARG 11 -1.799 5.391 -15.013 58 HD2 ARG 11 1HD ARG 11 0.345 5.970 -12.972 59 HD3 ARG 11 2HD ARG 11 -0.150 4.362 -13.499 60 HE ARG 11 HE ARG 11 1.558 6.187 -14.899 61 HH11 ARG 11 1HH1 ARG 11 -0.688 3.552 -15.260 62 HH12 ARG 11 2HH1 ARG 11 -0.028 3.026 -16.774 63 HH21 ARG 11 1HH2 ARG 11 2.434 5.505 -16.891 64 HH22 ARG 11 2HH2 ARG 11 1.747 4.138 -17.701 65 H LYS 12 H LYS 12 -3.583 5.615 -15.803 66 HA LYS 12 HA LYS 12 -6.156 6.470 -14.725 67 HB2 LYS 12 1HB LYS 12 -7.087 4.549 -15.732 68 HB3 LYS 12 2HB LYS 12 -5.904 5.148 -16.888 69 HG2 LYS 12 1HG LYS 12 -4.294 3.471 -16.049 70 HG3 LYS 12 2HG LYS 12 -5.556 2.833 -14.994 71 HD2 LYS 12 1HD LYS 12 -5.854 3.046 -17.984 72 HD3 LYS 12 2HD LYS 12 -5.230 1.607 -17.175 73 HE2 LYS 12 1HE LYS 12 -7.863 2.819 -16.404 74 HE3 LYS 12 2HE LYS 12 -7.733 1.693 -17.753 75 HZ1 LYS 12 1HZ LYS 12 -6.847 0.034 -16.270 76 HZ2 LYS 12 2HZ LYS 12 -8.325 0.591 -15.667 77 HZ3 LYS 12 3HZ LYS 12 -6.876 1.115 -14.969 78 H ALA 13 H ALA 13 -7.321 4.659 -13.423 79 HA ALA 13 HA ALA 13 -6.170 4.457 -10.923 80 HB1 ALA 13 1HB ALA 13 -7.913 2.209 -11.407 81 HB2 ALA 13 2HB ALA 13 -8.158 3.624 -10.382 82 HB3 ALA 13 3HB ALA 13 -8.579 3.691 -12.094 83 H SER 14 H SER 14 -4.385 3.442 -10.309 84 HA SER 14 HA SER 14 -3.890 0.723 -11.297 85 HB2 SER 14 1HB SER 14 -1.575 1.158 -11.717 86 HB3 SER 14 2HB SER 14 -2.485 2.422 -12.543 87 HG SER 14 HG SER 14 -0.560 2.948 -11.080 88 H ARG 15 H ARG 15 -2.881 -0.658 -9.851 89 HA ARG 15 HA ARG 15 -3.369 -0.284 -7.141 90 HB2 ARG 15 1HB ARG 15 -1.494 -2.156 -8.582 91 HB3 ARG 15 2HB ARG 15 -1.737 -2.215 -6.841 92 HG2 ARG 15 1HG ARG 15 -3.924 -2.951 -7.039 93 HG3 ARG 15 2HG ARG 15 -4.074 -2.364 -8.697 94 HD2 ARG 15 1HD ARG 15 -3.832 -4.590 -9.116 95 HD3 ARG 15 2HD ARG 15 -2.134 -4.117 -9.104 96 HE ARG 15 HE ARG 15 -2.596 -4.785 -6.529 97 HH11 ARG 15 1HH1 ARG 15 -3.179 -6.407 -9.554 98 HH12 ARG 15 2HH1 ARG 15 -2.991 -7.996 -8.888 99 HH21 ARG 15 1HH2 ARG 15 -2.348 -6.871 -5.640 100 HH22 ARG 15 2HH2 ARG 15 -2.520 -8.258 -6.661 101 H ASN 16 H ASN 16 -2.484 1.164 -5.830 102 HA ASN 16 HA ASN 16 0.403 1.702 -6.079 103 HB2 ASN 16 1HB ASN 16 -1.871 3.583 -5.464 104 HB3 ASN 16 2HB ASN 16 -0.203 3.975 -5.055 105 HD21 ASN 16 1HD2 ASN 16 1.349 4.031 -6.803 106 HD22 ASN 16 2HD2 ASN 16 0.826 4.493 -8.383 107 H ALA 17 H ALA 17 1.242 2.743 -3.952 108 HA ALA 17 HA ALA 17 1.484 0.981 -1.966 109 HB1 ALA 17 1HB ALA 17 1.102 3.905 -1.355 110 HB2 ALA 17 2HB ALA 17 2.085 2.734 -0.473 111 HB3 ALA 17 3HB ALA 17 2.561 3.242 -2.094 112 H TYR 18 H TYR 18 -1.135 3.391 -2.074 113 HA TYR 18 HA TYR 18 -2.434 2.712 0.275 114 HB2 TYR 18 1HB TYR 18 -2.989 4.674 -1.139 115 HB3 TYR 18 2HB TYR 18 -3.739 3.594 -2.308 116 HD1 TYR 18 2HD TYR 18 -3.905 4.016 1.410 117 HD2 TYR 18 1HD TYR 18 -6.036 3.677 -2.257 118 HE1 TYR 18 2HE TYR 18 -6.030 4.172 2.637 119 HE2 TYR 18 1HE TYR 18 -8.167 3.834 -1.040 120 HH TYR 18 HH TYR 18 -8.978 4.760 1.140 121 H TYR 19 H TYR 19 -2.873 1.353 -2.973 122 HA TYR 19 HA TYR 19 -4.964 -0.408 -2.331 123 HB2 TYR 19 1HB TYR 19 -4.437 0.126 -4.638 124 HB3 TYR 19 2HB TYR 19 -2.843 -0.601 -4.478 125 HD1 TYR 19 1HD TYR 19 -2.727 -3.112 -3.998 126 HD2 TYR 19 2HD TYR 19 -6.268 -1.161 -5.323 127 HE1 TYR 19 1HE TYR 19 -3.636 -5.275 -4.732 128 HE2 TYR 19 2HE TYR 19 -7.187 -3.320 -6.061 129 HH TYR 19 HH TYR 19 -6.026 -6.237 -5.106 130 H PHE 20 H PHE 20 -1.449 -0.856 -2.342 131 HA PHE 20 HA PHE 20 -1.464 -3.597 -1.690 132 HB2 PHE 20 1HB PHE 20 0.550 -1.404 -1.619 133 HB3 PHE 20 2HB PHE 20 0.904 -2.865 -0.702 134 HD1 PHE 20 2HD PHE 20 -0.343 -1.901 -4.086 135 HD2 PHE 20 1HD PHE 20 2.094 -4.507 -1.764 136 HE1 PHE 20 2HE PHE 20 0.441 -2.998 -6.145 137 HE2 PHE 20 1HE PHE 20 2.881 -5.607 -3.820 138 HZ PHE 20 HZ PHE 20 2.054 -4.853 -6.013 139 H PHE 21 H PHE 21 -1.840 -0.728 0.223 140 HA PHE 21 HA PHE 21 -1.332 -2.031 2.741 141 HB2 PHE 21 1HB PHE 21 -0.837 0.309 2.625 142 HB3 PHE 21 2HB PHE 21 -2.450 0.681 2.023 143 HD1 PHE 21 1HD PHE 21 -0.550 -0.443 4.981 144 HD2 PHE 21 2HD PHE 21 -4.252 1.045 3.497 145 HE1 PHE 21 1HE PHE 21 -1.315 -0.055 7.287 146 HE2 PHE 21 2HE PHE 21 -5.021 1.437 5.801 147 HZ PHE 21 HZ PHE 21 -3.552 0.887 7.700 148 H VAL 22 H VAL 22 -4.142 -1.131 0.826 149 HA VAL 22 HA VAL 22 -6.064 -1.796 2.832 150 HB VAL 22 HB VAL 22 -6.262 -1.281 -0.123 151 HG11 VAL 22 1HG1 VAL 22 -8.209 -2.611 1.637 152 HG12 VAL 22 2HG1 VAL 22 -8.847 -1.283 0.665 153 HG13 VAL 22 3HG1 VAL 22 -8.053 -2.649 -0.119 154 HG21 VAL 22 1HG2 VAL 22 -7.317 0.157 2.309 155 HG22 VAL 22 2HG2 VAL 22 -5.957 0.657 1.304 156 HG23 VAL 22 3HG2 VAL 22 -7.590 0.648 0.637 157 H GLN 23 H GLN 23 -4.705 -3.477 0.031 158 HA GLN 23 HA GLN 23 -6.356 -5.731 0.071 159 HB2 GLN 23 1HB GLN 23 -4.625 -5.010 -1.687 160 HB3 GLN 23 2HB GLN 23 -3.444 -5.833 -0.677 161 HG2 GLN 23 1HG GLN 23 -5.904 -7.285 -1.518 162 HG3 GLN 23 2HG GLN 23 -4.589 -7.063 -2.672 163 HE21 GLN 23 1HE2 GLN 23 -2.482 -7.864 -2.069 164 HE22 GLN 23 2HE2 GLN 23 -2.358 -9.238 -1.029 165 H GLU 24 H GLU 24 -3.395 -5.002 1.844 166 HA GLU 24 HA GLU 24 -3.271 -7.612 3.057 167 HB2 GLU 24 1HB GLU 24 -1.741 -5.053 3.503 168 HB3 GLU 24 2HB GLU 24 -1.479 -6.492 4.478 169 HG2 GLU 24 1HG GLU 24 -1.181 -6.374 1.486 170 HG3 GLU 24 2HG GLU 24 0.146 -6.230 2.638 171 H LYS 25 H LYS 25 -5.491 -5.396 3.441 172 HA LYS 25 HA LYS 25 -5.673 -5.755 6.361 173 HB2 LYS 25 1HB LYS 25 -6.511 -3.403 4.665 174 HB3 LYS 25 2HB LYS 25 -7.045 -3.626 6.325 175 HG2 LYS 25 1HG LYS 25 -4.130 -3.638 5.675 176 HG3 LYS 25 2HG LYS 25 -5.007 -2.113 5.827 177 HD2 LYS 25 1HD LYS 25 -5.651 -2.644 8.080 178 HD3 LYS 25 2HD LYS 25 -4.976 -4.269 7.937 179 HE2 LYS 25 1HE LYS 25 -3.204 -1.920 7.463 180 HE3 LYS 25 2HE LYS 25 -3.636 -2.339 9.120 181 HZ1 LYS 25 1HZ LYS 25 -1.604 -3.429 7.690 182 HZ2 LYS 25 2HZ LYS 25 -2.813 -4.605 7.567 183 HZ3 LYS 25 3HZ LYS 25 -2.286 -4.092 9.090 184 H ILE 26 H ILE 26 -7.207 -6.021 3.281 185 HA ILE 26 HA ILE 26 -9.877 -6.074 3.761 186 HB ILE 26 HB ILE 26 -8.130 -7.662 1.965 187 HG12 ILE 26 1HG1 ILE 26 -10.692 -6.197 1.352 188 HG13 ILE 26 2HG1 ILE 26 -9.157 -5.353 1.529 189 HG21 ILE 26 1HG2 ILE 26 -10.320 -8.762 1.110 190 HG22 ILE 26 2HG2 ILE 26 -9.468 -9.476 2.478 191 HG23 ILE 26 3HG2 ILE 26 -10.895 -8.477 2.753 192 HD11 ILE 26 1HD1 ILE 26 -9.196 -7.651 -0.322 193 HD12 ILE 26 2HD1 ILE 26 -10.089 -6.211 -0.813 194 HD13 ILE 26 3HD1 ILE 26 -8.367 -6.099 -0.447 195 HA PRO 27 HA PRO 27 -9.702 -10.616 5.410 196 HB2 PRO 27 1HB PRO 27 -7.253 -11.635 5.986 197 HB3 PRO 27 2HB PRO 27 -8.006 -11.786 4.395 198 HG2 PRO 27 1HG PRO 27 -5.929 -9.844 5.330 199 HG3 PRO 27 2HG PRO 27 -6.014 -10.741 3.802 200 HD2 PRO 27 1HD PRO 27 -6.748 -8.144 4.008 201 HD3 PRO 27 2HD PRO 27 -7.526 -9.268 2.876 202 H GLU 28 H GLU 28 -7.553 -8.146 6.573 203 HA GLU 28 HA GLU 28 -7.369 -9.076 9.263 204 HB2 GLU 28 1HB GLU 28 -5.732 -7.520 8.238 205 HB3 GLU 28 2HB GLU 28 -6.975 -6.278 8.189 206 HG2 GLU 28 1HG GLU 28 -7.138 -6.385 10.645 207 HG3 GLU 28 2HG GLU 28 -5.823 -7.558 10.656 208 H LEU 29 H LEU 29 -9.576 -6.995 7.510 209 HA LEU 29 HA LEU 29 -10.939 -6.098 9.889 210 HB2 LEU 29 1HB LEU 29 -11.607 -5.837 6.963 211 HB3 LEU 29 2HB LEU 29 -12.546 -5.110 8.265 212 HG LEU 29 HG LEU 29 -9.639 -4.473 7.823 213 HD11 LEU 29 1HD1 LEU 29 -11.050 -3.988 5.797 214 HD12 LEU 29 2HD1 LEU 29 -10.241 -2.595 6.514 215 HD13 LEU 29 3HD1 LEU 29 -11.962 -2.858 6.799 216 HD21 LEU 29 1HD2 LEU 29 -11.548 -2.543 8.974 217 HD22 LEU 29 2HD2 LEU 29 -9.885 -2.911 9.433 218 HD23 LEU 29 3HD2 LEU 29 -11.200 -3.965 9.958 219 H ARG 30 H ARG 30 -11.671 -8.290 7.189 220 HA ARG 30 HA ARG 30 -14.204 -9.070 7.675 221 HB2 ARG 30 1HB ARG 30 -11.790 -10.606 6.815 222 HB3 ARG 30 2HB ARG 30 -13.278 -11.487 7.137 223 HG2 ARG 30 1HG ARG 30 -14.452 -10.224 5.465 224 HG3 ARG 30 2HG ARG 30 -13.053 -9.178 5.220 225 HD2 ARG 30 1HD ARG 30 -12.750 -10.621 3.480 226 HD3 ARG 30 2HD ARG 30 -11.865 -11.489 4.733 227 HE ARG 30 HE ARG 30 -13.378 -13.173 4.519 228 HH11 ARG 30 1HH1 ARG 30 -14.869 -10.218 3.437 229 HH12 ARG 30 2HH1 ARG 30 -16.343 -10.988 2.950 230 HH21 ARG 30 1HH2 ARG 30 -15.314 -14.197 3.882 231 HH22 ARG 30 2HH2 ARG 30 -16.595 -13.250 3.205 232 H ARG 31 H ARG 31 -11.361 -10.179 9.476 233 HA ARG 31 HA ARG 31 -12.795 -11.957 11.166 234 HB2 ARG 31 1HB ARG 31 -10.049 -10.785 11.141 235 HB3 ARG 31 2HB ARG 31 -10.627 -11.528 12.626 236 HG2 ARG 31 1HG ARG 31 -11.206 -13.548 11.145 237 HG3 ARG 31 2HG ARG 31 -10.140 -12.791 9.960 238 HD2 ARG 31 1HD ARG 31 -8.718 -14.221 11.113 239 HD3 ARG 31 2HD ARG 31 -8.444 -12.666 11.897 240 HE ARG 31 HE ARG 31 -10.472 -14.207 13.196 241 HH11 ARG 31 1HH1 ARG 31 -7.034 -13.752 12.889 242 HH12 ARG 31 2HH1 ARG 31 -6.677 -14.393 14.459 243 HH21 ARG 31 1HH2 ARG 31 -10.015 -15.051 15.265 244 HH22 ARG 31 2HH2 ARG 31 -8.374 -15.131 15.809 245 H ARG 32 H ARG 32 -11.758 -8.593 11.468 246 HA ARG 32 HA ARG 32 -12.373 -8.157 14.141 247 HB2 ARG 32 1HB ARG 32 -12.394 -6.353 11.735 248 HB3 ARG 32 2HB ARG 32 -12.835 -5.750 13.327 249 HG2 ARG 32 1HG ARG 32 -10.535 -6.879 13.988 250 HG3 ARG 32 2HG ARG 32 -10.196 -6.595 12.280 251 HD2 ARG 32 1HD ARG 32 -9.422 -4.689 13.467 252 HD3 ARG 32 2HD ARG 32 -10.906 -4.213 12.640 253 HE ARG 32 HE ARG 32 -11.588 -5.063 15.208 254 HH11 ARG 32 1HH1 ARG 32 -9.807 -2.497 13.670 255 HH12 ARG 32 2HH1 ARG 32 -10.116 -1.350 14.932 256 HH21 ARG 32 1HH2 ARG 32 -12.002 -3.561 16.875 257 HH22 ARG 32 2HH2 ARG 32 -11.365 -1.956 16.754 258 H GLY 33 H GLY 33 -14.466 -8.038 11.290 259 HA2 GLY 33 1HA GLY 33 -16.770 -8.881 11.707 260 HA3 GLY 33 2HA GLY 33 -16.780 -7.838 13.120 261 H LEU 34 H LEU 34 -15.607 -7.140 9.850 262 HA LEU 34 HA LEU 34 -17.721 -5.104 9.613 263 HB2 LEU 34 1HB LEU 34 -14.817 -4.873 8.850 264 HB3 LEU 34 2HB LEU 34 -16.057 -3.716 8.375 265 HG LEU 34 HG LEU 34 -15.320 -4.323 11.234 266 HD11 LEU 34 1HD1 LEU 34 -14.153 -2.162 11.190 267 HD12 LEU 34 2HD1 LEU 34 -14.431 -2.062 9.452 268 HD13 LEU 34 3HD1 LEU 34 -13.413 -3.343 10.109 269 HD21 LEU 34 1HD2 LEU 34 -17.517 -3.464 11.145 270 HD22 LEU 34 2HD2 LEU 34 -17.085 -2.277 9.914 271 HD23 LEU 34 3HD2 LEU 34 -16.481 -2.099 11.562 272 HA PRO 35 HA PRO 35 -18.674 -6.986 5.751 273 HB2 PRO 35 1HB PRO 35 -19.905 -4.891 4.539 274 HB3 PRO 35 2HB PRO 35 -20.653 -5.822 5.841 275 HG2 PRO 35 1HG PRO 35 -19.246 -3.182 5.965 276 HG3 PRO 35 2HG PRO 35 -20.748 -3.688 6.761 277 HD2 PRO 35 1HD PRO 35 -18.371 -3.609 8.054 278 HD3 PRO 35 2HD PRO 35 -19.631 -4.795 8.445 279 H VAL 36 H VAL 36 -16.470 -7.217 5.037 280 HA VAL 36 HA VAL 36 -15.734 -5.231 2.991 281 HB VAL 36 HB VAL 36 -13.308 -6.078 3.533 282 HG11 VAL 36 1HG1 VAL 36 -14.945 -3.974 4.858 283 HG12 VAL 36 2HG1 VAL 36 -13.302 -4.255 5.435 284 HG13 VAL 36 3HG1 VAL 36 -13.581 -3.815 3.750 285 HG21 VAL 36 1HG2 VAL 36 -14.448 -7.649 5.307 286 HG22 VAL 36 2HG2 VAL 36 -12.881 -6.906 5.629 287 HG23 VAL 36 3HG2 VAL 36 -14.346 -6.210 6.323 288 H ALA 37 H ALA 37 -16.183 -6.236 1.128 289 HA ALA 37 HA ALA 37 -15.600 -9.085 0.836 290 HB1 ALA 37 1HB ALA 37 -17.368 -7.153 -0.526 291 HB2 ALA 37 2HB ALA 37 -16.672 -8.423 -1.533 292 HB3 ALA 37 3HB ALA 37 -17.635 -8.848 -0.118 293 H ARG 38 H ARG 38 -14.754 -5.963 -0.604 294 HA ARG 38 HA ARG 38 -12.311 -7.185 -1.659 295 HB2 ARG 38 1HB ARG 38 -12.566 -6.010 -3.796 296 HB3 ARG 38 2HB ARG 38 -13.883 -7.143 -3.527 297 HG2 ARG 38 1HG ARG 38 -15.065 -5.001 -2.544 298 HG3 ARG 38 2HG ARG 38 -13.913 -4.177 -3.597 299 HD2 ARG 38 1HD ARG 38 -14.733 -5.811 -5.410 300 HD3 ARG 38 2HD ARG 38 -16.094 -6.100 -4.327 301 HE ARG 38 HE ARG 38 -15.670 -3.319 -4.784 302 HH11 ARG 38 1HH1 ARG 38 -17.035 -6.207 -6.168 303 HH12 ARG 38 2HH1 ARG 38 -18.193 -5.354 -7.134 304 HH21 ARG 38 1HH2 ARG 38 -17.189 -2.184 -6.051 305 HH22 ARG 38 2HH2 ARG 38 -18.280 -3.065 -7.067 306 H VAL 39 H VAL 39 -11.009 -5.197 -2.751 307 HA VAL 39 HA VAL 39 -10.098 -3.622 -0.652 308 HB VAL 39 HB VAL 39 -9.864 -3.205 -3.630 309 HG11 VAL 39 1HG1 VAL 39 -7.779 -1.854 -2.357 310 HG12 VAL 39 2HG1 VAL 39 -9.136 -1.141 -3.231 311 HG13 VAL 39 3HG1 VAL 39 -9.238 -1.384 -1.487 312 HG21 VAL 39 1HG2 VAL 39 -8.804 -5.216 -2.552 313 HG22 VAL 39 2HG2 VAL 39 -7.694 -4.149 -3.412 314 HG23 VAL 39 3HG2 VAL 39 -7.780 -4.099 -1.650 315 H ALA 40 H ALA 40 -12.240 -2.691 -3.340 316 HA ALA 40 HA ALA 40 -12.651 -0.046 -2.783 317 HB1 ALA 40 1HB ALA 40 -14.880 -1.898 -3.593 318 HB2 ALA 40 2HB ALA 40 -14.698 -0.186 -3.976 319 HB3 ALA 40 3HB ALA 40 -13.607 -1.371 -4.694 320 H ASP 41 H ASP 41 -13.818 -2.802 -1.010 321 HA ASP 41 HA ASP 41 -15.704 -1.254 0.549 322 HB2 ASP 41 1HB ASP 41 -14.840 -4.128 0.520 323 HB3 ASP 41 2HB ASP 41 -15.752 -3.492 1.886 324 H ALA 42 H ALA 42 -12.548 -2.786 1.023 325 HA ALA 42 HA ALA 42 -12.358 -1.850 3.752 326 HB1 ALA 42 1HB ALA 42 -10.940 -3.728 2.065 327 HB2 ALA 42 2HB ALA 42 -9.836 -2.708 2.987 328 HB3 ALA 42 3HB ALA 42 -11.063 -3.659 3.823 329 H ILE 43 H ILE 43 -12.278 -0.191 1.035 330 HA ILE 43 HA ILE 43 -9.820 1.212 1.105 331 HB ILE 43 HB ILE 43 -12.432 1.588 -0.243 332 HG12 ILE 43 1HG1 ILE 43 -9.542 1.750 -1.126 333 HG13 ILE 43 2HG1 ILE 43 -10.617 0.371 -1.327 334 HG21 ILE 43 1HG2 ILE 43 -11.727 3.840 -1.054 335 HG22 ILE 43 2HG2 ILE 43 -12.178 3.791 0.649 336 HG23 ILE 43 3HG2 ILE 43 -10.476 3.838 0.188 337 HD11 ILE 43 1HD1 ILE 43 -10.824 1.250 -3.391 338 HD12 ILE 43 2HD1 ILE 43 -12.059 2.225 -2.592 339 HD13 ILE 43 3HD1 ILE 43 -10.446 2.887 -2.853 340 HA PRO 44 HA PRO 44 -12.264 4.638 3.480 341 HB2 PRO 44 1HB PRO 44 -14.727 3.988 4.417 342 HB3 PRO 44 2HB PRO 44 -14.462 4.680 2.813 343 HG2 PRO 44 1HG PRO 44 -14.891 1.823 3.596 344 HG3 PRO 44 2HG PRO 44 -15.576 2.724 2.231 345 HD2 PRO 44 1HD PRO 44 -13.479 1.033 1.954 346 HD3 PRO 44 2HD PRO 44 -13.672 2.488 0.955 347 H TYR 45 H TYR 45 -13.115 1.368 4.593 348 HA TYR 45 HA TYR 45 -13.041 1.871 7.339 349 HB2 TYR 45 1HB TYR 45 -12.384 -0.681 5.853 350 HB3 TYR 45 2HB TYR 45 -12.691 -0.572 7.583 351 HD1 TYR 45 2HD TYR 45 -15.003 1.010 7.922 352 HD2 TYR 45 1HD TYR 45 -14.134 -1.689 4.750 353 HE1 TYR 45 2HE TYR 45 -17.412 0.721 7.515 354 HE2 TYR 45 1HE TYR 45 -16.539 -1.984 4.334 355 HH TYR 45 HH TYR 45 -18.965 -0.268 6.284 356 H CYS 46 H CYS 46 -10.535 1.966 5.103 357 HA CYS 46 HA CYS 46 -8.548 1.844 7.269 358 HB2 CYS 46 1HB CYS 46 -8.443 0.576 4.551 359 HB3 CYS 46 2HB CYS 46 -6.956 1.044 5.368 360 HG CYS 46 HG CYS 46 -8.398 -1.756 5.606 361 H SER 47 H SER 47 -10.074 3.984 5.692 362 HA SER 47 HA SER 47 -8.146 5.381 4.137 363 HB2 SER 47 1HB SER 47 -9.745 7.224 4.155 364 HB3 SER 47 2HB SER 47 -10.591 5.702 3.878 365 HG SER 47 HG SER 47 -11.027 5.717 6.188 366 H SER 48 H SER 48 -9.302 5.727 7.471 367 HA SER 48 HA SER 48 -7.605 7.950 8.056 368 HB2 SER 48 1HB SER 48 -9.293 6.111 9.741 369 HB3 SER 48 2HB SER 48 -8.242 7.323 10.475 370 HG SER 48 HG SER 48 -9.452 8.710 8.754 371 H ASP 49 H ASP 49 -7.443 4.468 8.621 372 HA ASP 49 HA ASP 49 -5.183 4.404 10.258 373 HB2 ASP 49 1HB ASP 49 -5.891 2.327 8.182 374 HB3 ASP 49 2HB ASP 49 -4.989 2.083 9.676 375 H TRP 50 H TRP 50 -5.483 4.593 6.758 376 HA TRP 50 HA TRP 50 -2.766 4.128 6.143 377 HB2 TRP 50 1HB TRP 50 -4.395 3.921 4.398 378 HB3 TRP 50 2HB TRP 50 -4.953 5.573 4.643 379 HD1 TRP 50 HD TRP 50 -3.911 7.356 3.114 380 HE1 TRP 50 1HE TRP 50 -1.916 7.436 1.490 381 HE3 TRP 50 3HE TRP 50 -1.855 2.786 4.127 382 HZ2 TRP 50 2HZ TRP 50 0.244 5.781 0.738 383 HZ3 TRP 50 3HZ TRP 50 0.175 2.111 2.912 384 HH2 TRP 50 HH TRP 50 1.200 3.578 1.252 385 H ALA 51 H ALA 51 -4.585 7.052 6.895 386 HA ALA 51 HA ALA 51 -2.505 8.882 6.275 387 HB1 ALA 51 1HB ALA 51 -5.187 9.047 7.070 388 HB2 ALA 51 2HB ALA 51 -4.261 9.893 8.310 389 HB3 ALA 51 3HB ALA 51 -4.114 10.372 6.619 390 H LEU 52 H LEU 52 -2.865 6.662 8.781 391 HA LEU 52 HA LEU 52 -1.424 8.197 10.773 392 HB2 LEU 52 1HB LEU 52 -2.336 5.326 10.731 393 HB3 LEU 52 2HB LEU 52 -1.551 6.109 12.101 394 HG LEU 52 HG LEU 52 -4.187 7.004 10.943 395 HD11 LEU 52 1HD1 LEU 52 -3.953 4.621 12.055 396 HD12 LEU 52 2HD1 LEU 52 -5.332 5.667 12.393 397 HD13 LEU 52 3HD1 LEU 52 -3.995 5.572 13.539 398 HD21 LEU 52 1HD2 LEU 52 -3.927 8.753 12.279 399 HD22 LEU 52 2HD2 LEU 52 -2.369 8.134 12.827 400 HD23 LEU 52 3HD2 LEU 52 -3.849 7.668 13.667 401 H LEU 53 H LEU 53 -0.730 5.984 8.232 402 HA LEU 53 HA LEU 53 1.673 4.866 9.144 403 HB2 LEU 53 1HB LEU 53 0.451 5.350 6.474 404 HB3 LEU 53 2HB LEU 53 2.149 4.883 6.549 405 HG LEU 53 HG LEU 53 0.092 3.233 7.958 406 HD11 LEU 53 1HD1 LEU 53 0.617 3.328 5.009 407 HD12 LEU 53 2HD1 LEU 53 -0.926 3.302 5.860 408 HD13 LEU 53 3HD1 LEU 53 0.074 1.851 5.804 409 HD21 LEU 53 1HD2 LEU 53 1.840 1.915 8.313 410 HD22 LEU 53 2HD2 LEU 53 2.875 3.108 7.527 411 HD23 LEU 53 3HD2 LEU 53 2.148 1.809 6.578 412 H ARG 54 H ARG 54 3.863 5.364 8.454 413 HA ARG 54 HA ARG 54 4.354 8.237 8.557 414 HB2 ARG 54 1HB ARG 54 6.418 6.040 8.641 415 HB3 ARG 54 2HB ARG 54 6.585 7.700 9.195 416 HG2 ARG 54 1HG ARG 54 4.500 6.011 10.464 417 HG3 ARG 54 2HG ARG 54 6.190 5.703 10.870 418 HD2 ARG 54 1HD ARG 54 5.486 7.245 12.478 419 HD3 ARG 54 2HD ARG 54 6.353 8.221 11.293 420 HE ARG 54 HE ARG 54 4.382 9.270 10.753 421 HH11 ARG 54 1HH1 ARG 54 3.715 6.456 12.691 422 HH12 ARG 54 2HH1 ARG 54 2.044 6.851 12.921 423 HH21 ARG 54 1HH2 ARG 54 2.184 9.800 11.050 424 HH22 ARG 54 2HH2 ARG 54 1.174 8.753 11.988 425 H GLU 55 H GLU 55 5.897 9.253 7.140 426 HA GLU 55 HA GLU 55 5.417 8.972 4.464 427 HB2 GLU 55 1HB GLU 55 7.715 10.121 5.995 428 HB3 GLU 55 2HB GLU 55 7.825 10.013 4.244 429 HG2 GLU 55 1HG GLU 55 5.494 11.183 4.315 430 HG3 GLU 55 2HG GLU 55 6.009 11.663 5.931 431 H GLU 56 H GLU 56 8.092 7.516 6.293 432 HA GLU 56 HA GLU 56 9.401 6.273 4.175 433 HB2 GLU 56 1HB GLU 56 9.148 5.482 7.075 434 HB3 GLU 56 2HB GLU 56 10.195 4.639 5.941 435 HG2 GLU 56 1HG GLU 56 11.142 7.033 5.496 436 HG3 GLU 56 2HG GLU 56 10.447 7.378 7.079 437 H GLU 57 H GLU 57 6.770 5.065 6.226 438 HA GLU 57 HA GLU 57 6.606 2.488 5.150 439 HB2 GLU 57 1HB GLU 57 4.317 4.142 6.227 440 HB3 GLU 57 2HB GLU 57 4.383 2.389 6.112 441 HG2 GLU 57 1HG GLU 57 5.872 4.202 7.968 442 HG3 GLU 57 2HG GLU 57 4.805 2.852 8.355 443 H LYS 58 H LYS 58 4.654 5.363 4.351 444 HA LYS 58 HA LYS 58 3.127 4.312 2.317 445 HB2 LYS 58 1HB LYS 58 4.304 7.093 2.292 446 HB3 LYS 58 2HB LYS 58 2.813 6.564 1.526 447 HG2 LYS 58 1HG LYS 58 2.004 5.999 3.876 448 HG3 LYS 58 2HG LYS 58 3.381 6.945 4.445 449 HD2 LYS 58 1HD LYS 58 2.559 8.923 3.482 450 HD3 LYS 58 2HD LYS 58 1.416 8.050 2.460 451 HE2 LYS 58 1HE LYS 58 -0.004 8.806 4.083 452 HE3 LYS 58 2HE LYS 58 0.466 7.260 4.789 453 HZ1 LYS 58 1HZ LYS 58 1.595 9.923 5.457 454 HZ2 LYS 58 2HZ LYS 58 2.172 8.456 6.072 455 HZ3 LYS 58 3HZ LYS 58 0.603 8.970 6.443 456 H GLU 59 H GLU 59 6.355 5.776 2.064 457 HA GLU 59 HA GLU 59 6.647 5.576 -0.706 458 HB2 GLU 59 1HB GLU 59 8.151 6.674 1.178 459 HB3 GLU 59 2HB GLU 59 9.016 5.148 1.057 460 HG2 GLU 59 1HG GLU 59 10.059 6.793 -0.352 461 HG3 GLU 59 2HG GLU 59 9.329 5.534 -1.347 462 H LYS 60 H LYS 60 7.600 3.295 1.847 463 HA LYS 60 HA LYS 60 8.796 1.353 0.271 464 HB2 LYS 60 1HB LYS 60 9.037 1.046 2.571 465 HB3 LYS 60 2HB LYS 60 7.318 1.257 2.878 466 HG2 LYS 60 1HG LYS 60 6.935 -0.922 1.699 467 HG3 LYS 60 2HG LYS 60 8.688 -1.138 1.684 468 HD2 LYS 60 1HD LYS 60 8.187 -2.244 3.618 469 HD3 LYS 60 2HD LYS 60 8.409 -0.616 4.264 470 HE2 LYS 60 1HE LYS 60 5.885 -0.340 3.864 471 HE3 LYS 60 2HE LYS 60 5.856 -2.097 3.719 472 HZ1 LYS 60 1HZ LYS 60 6.960 -2.156 5.946 473 HZ2 LYS 60 2HZ LYS 60 5.372 -1.573 5.957 474 HZ3 LYS 60 3HZ LYS 60 6.670 -0.494 6.076 475 H TYR 61 H TYR 61 5.386 1.536 1.291 476 HA TYR 61 HA TYR 61 4.478 -0.727 -0.054 477 HB2 TYR 61 1HB TYR 61 3.182 1.781 0.926 478 HB3 TYR 61 2HB TYR 61 2.256 0.704 -0.114 479 HD1 TYR 61 2HD TYR 61 1.732 -1.592 0.635 480 HD2 TYR 61 1HD TYR 61 3.676 1.196 3.195 481 HE1 TYR 61 2HE TYR 61 1.178 -2.998 2.575 482 HE2 TYR 61 1HE TYR 61 3.128 -0.204 5.143 483 HH TYR 61 HH TYR 61 1.590 -1.910 5.811 484 H ALA 62 H ALA 62 4.778 2.617 -1.168 485 HA ALA 62 HA ALA 62 3.558 2.240 -3.687 486 HB1 ALA 62 1HB ALA 62 3.682 4.460 -3.236 487 HB2 ALA 62 2HB ALA 62 5.246 4.324 -2.432 488 HB3 ALA 62 3HB ALA 62 5.156 4.312 -4.194 489 H GLU 63 H GLU 63 6.948 2.117 -2.643 490 HA GLU 63 HA GLU 63 8.117 1.746 -5.152 491 HB2 GLU 63 1HB GLU 63 8.921 1.118 -2.349 492 HB3 GLU 63 2HB GLU 63 9.859 0.419 -3.660 493 HG2 GLU 63 1HG GLU 63 10.325 2.625 -4.543 494 HG3 GLU 63 2HG GLU 63 9.323 3.357 -3.290 495 H MET 64 H MET 64 7.090 -0.687 -2.764 496 HA MET 64 HA MET 64 7.768 -2.942 -4.290 497 HB2 MET 64 1HB MET 64 6.461 -4.210 -2.746 498 HB3 MET 64 2HB MET 64 7.220 -2.910 -1.836 499 HG2 MET 64 1HG MET 64 5.218 -1.736 -1.613 500 HG3 MET 64 2HG MET 64 4.438 -2.643 -2.907 501 HE1 MET 64 1HE MET 64 5.823 -2.396 0.419 502 HE2 MET 64 2HE MET 64 4.520 -3.080 1.391 503 HE3 MET 64 3HE MET 64 5.930 -4.062 0.989 504 H ALA 65 H ALA 65 4.908 -0.915 -4.253 505 HA ALA 65 HA ALA 65 3.214 -2.614 -5.744 506 HB1 ALA 65 1HB ALA 65 3.135 0.068 -4.703 507 HB2 ALA 65 2HB ALA 65 2.467 0.012 -6.335 508 HB3 ALA 65 3HB ALA 65 1.806 -1.031 -5.076 509 H ARG 66 H ARG 66 4.990 0.297 -6.811 510 HA ARG 66 HA ARG 66 4.499 -0.044 -9.545 511 HB2 ARG 66 1HB ARG 66 6.453 1.480 -9.863 512 HB3 ARG 66 2HB ARG 66 5.255 2.080 -8.724 513 HG2 ARG 66 1HG ARG 66 6.751 1.058 -6.911 514 HG3 ARG 66 2HG ARG 66 7.985 0.982 -8.172 515 HD2 ARG 66 1HD ARG 66 6.531 3.545 -7.786 516 HD3 ARG 66 2HD ARG 66 7.731 3.085 -6.579 517 HE ARG 66 HE ARG 66 8.238 4.042 -9.209 518 HH11 ARG 66 1HH1 ARG 66 9.436 1.889 -6.751 519 HH12 ARG 66 2HH1 ARG 66 11.081 1.978 -7.290 520 HH21 ARG 66 1HH2 ARG 66 10.398 4.169 -9.929 521 HH22 ARG 66 2HH2 ARG 66 11.627 3.276 -9.098 522 H GLU 67 H GLU 67 7.476 -0.787 -7.721 523 HA GLU 67 HA GLU 67 8.929 -1.964 -9.744 524 HB2 GLU 67 1HB GLU 67 8.859 -2.706 -6.815 525 HB3 GLU 67 2HB GLU 67 10.096 -3.236 -7.947 526 HG2 GLU 67 1HG GLU 67 9.509 -0.345 -7.381 527 HG3 GLU 67 2HG GLU 67 10.707 -1.286 -6.495 528 H TRP 68 H TRP 68 6.347 -3.334 -7.804 529 HA TRP 68 HA TRP 68 6.717 -6.030 -8.608 530 HB2 TRP 68 1HB TRP 68 5.452 -5.529 -6.607 531 HB3 TRP 68 2HB TRP 68 4.286 -4.588 -7.533 532 HD1 TRP 68 HD TRP 68 5.495 -8.264 -7.269 533 HE1 TRP 68 1HE TRP 68 3.494 -9.795 -7.796 534 HE3 TRP 68 3HE TRP 68 2.034 -4.694 -8.457 535 HZ2 TRP 68 2HZ TRP 68 0.804 -9.524 -8.608 536 HZ3 TRP 68 3HZ TRP 68 -0.230 -5.414 -9.099 537 HH2 TRP 68 HH TRP 68 -0.829 -7.779 -9.172 538 H ARG 69 H ARG 69 4.392 -3.543 -9.666 539 HA ARG 69 HA ARG 69 3.186 -5.066 -11.683 540 HB2 ARG 69 1HB ARG 69 3.460 -2.109 -11.222 541 HB3 ARG 69 2HB ARG 69 2.666 -2.727 -12.664 542 HG2 ARG 69 1HG ARG 69 1.088 -3.964 -11.223 543 HG3 ARG 69 2HG ARG 69 1.853 -3.232 -9.810 544 HD2 ARG 69 1HD ARG 69 0.658 -1.625 -12.057 545 HD3 ARG 69 2HD ARG 69 -0.256 -2.115 -10.632 546 HE ARG 69 HE ARG 69 0.899 -0.562 -9.377 547 HH11 ARG 69 1HH1 ARG 69 2.328 -0.857 -12.538 548 HH12 ARG 69 2HH1 ARG 69 3.333 0.543 -12.358 549 HH21 ARG 69 1HH2 ARG 69 2.217 1.283 -9.129 550 HH22 ARG 69 2HH2 ARG 69 3.269 1.760 -10.418 551 H ALA 70 H ALA 70 5.984 -2.905 -11.760 552 HA ALA 70 HA ALA 70 6.406 -2.931 -14.537 553 HB1 ALA 70 1HB ALA 70 8.890 -2.538 -13.677 554 HB2 ALA 70 2HB ALA 70 7.648 -1.289 -13.572 555 HB3 ALA 70 3HB ALA 70 8.041 -2.263 -12.155 556 H ALA 71 H ALA 71 7.858 -4.929 -11.970 557 HA ALA 71 HA ALA 71 9.419 -6.523 -13.700 558 HB1 ALA 71 1HB ALA 71 10.121 -7.565 -11.828 559 HB2 ALA 71 2HB ALA 71 9.321 -6.213 -11.028 560 HB3 ALA 71 3HB ALA 71 8.487 -7.758 -11.192 561 H GLN 72 H GLN 72 6.113 -6.778 -12.552 562 HA GLN 72 HA GLN 72 5.710 -9.446 -13.505 563 HB2 GLN 72 1HB GLN 72 3.857 -7.278 -12.544 564 HB3 GLN 72 2HB GLN 72 3.247 -8.801 -13.178 565 HG2 GLN 72 1HG GLN 72 5.019 -8.420 -10.777 566 HG3 GLN 72 2HG GLN 72 3.324 -8.906 -10.785 567 HE21 GLN 72 1HE2 GLN 72 6.490 -9.965 -10.728 568 HE22 GLN 72 2HE2 GLN 72 6.218 -11.634 -11.081 569 H GLY 73 H GLY 73 5.551 -6.284 -14.893 570 HA2 GLY 73 1HA GLY 73 3.974 -7.178 -17.176 571 HA3 GLY 73 2HA GLY 73 4.564 -5.547 -16.891 572 H LYS 74 H LYS 74 7.301 -6.314 -16.416 573 HA LYS 74 HA LYS 74 9.231 -6.427 -17.623 574 HB2 LYS 74 1HB LYS 74 7.762 -8.696 -18.978 575 HB3 LYS 74 2HB LYS 74 9.500 -8.432 -19.014 576 HG2 LYS 74 1HG LYS 74 9.523 -8.689 -16.537 577 HG3 LYS 74 2HG LYS 74 7.815 -9.131 -16.621 578 HD2 LYS 74 1HD LYS 74 8.247 -11.157 -17.586 579 HD3 LYS 74 2HD LYS 74 9.717 -10.588 -18.380 580 HE2 LYS 74 1HE LYS 74 9.444 -11.061 -15.414 581 HE3 LYS 74 2HE LYS 74 10.124 -12.224 -16.550 582 HZ1 LYS 74 1HZ LYS 74 11.856 -10.950 -15.455 583 HZ2 LYS 74 2HZ LYS 74 11.186 -9.501 -16.018 584 HZ3 LYS 74 3HZ LYS 74 11.838 -10.613 -17.113 585 H ASP 75 H ASP 75 7.488 -4.483 -18.559 586 HA ASP 75 HA ASP 75 6.661 -4.323 -21.099 587 HB2 ASP 75 1HB ASP 75 7.532 -1.954 -21.150 588 HB3 ASP 75 2HB ASP 75 6.577 -2.367 -19.729 589 HA PRO 76 HA PRO 76 9.912 -5.220 -23.909 590 HB2 PRO 76 1HB PRO 76 9.200 -3.667 -26.019 591 HB3 PRO 76 2HB PRO 76 8.327 -5.136 -25.570 592 HG2 PRO 76 1HG PRO 76 7.661 -2.281 -24.971 593 HG3 PRO 76 2HG PRO 76 6.590 -3.593 -25.493 594 HD2 PRO 76 1HD PRO 76 6.763 -2.793 -22.912 595 HD3 PRO 76 2HD PRO 76 6.430 -4.476 -23.370 596 H GLY 77 H GLY 77 9.539 -2.176 -22.502 597 HA2 GLY 77 1HA GLY 77 10.952 -0.387 -22.228 598 HA3 GLY 77 2HA GLY 77 12.246 -1.502 -22.643 599 HA PRO 78 HA PRO 78 10.721 0.742 -26.687 600 HB2 PRO 78 1HB PRO 78 9.515 3.133 -26.241 601 HB3 PRO 78 2HB PRO 78 8.618 1.616 -26.379 602 HG2 PRO 78 1HG PRO 78 9.453 3.105 -23.920 603 HG3 PRO 78 2HG PRO 78 7.906 2.318 -24.280 604 HD2 PRO 78 1HD PRO 78 9.795 1.170 -22.717 605 HD3 PRO 78 2HD PRO 78 8.704 0.222 -23.748 606 H SER 79 H SER 79 12.184 2.018 -23.879 607 HA SER 79 HA SER 79 13.567 4.142 -25.328 608 HB2 SER 79 1HB SER 79 12.659 4.543 -23.026 609 HB3 SER 79 2HB SER 79 13.827 3.373 -22.412 610 HG SER 79 HG SER 79 14.277 5.857 -22.623 611 H GLU 80 H GLU 80 15.982 4.344 -24.769 612 HA GLU 80 HA GLU 80 17.220 1.758 -25.369 613 HB2 GLU 80 1HB GLU 80 17.530 3.989 -26.731 614 HB3 GLU 80 2HB GLU 80 18.707 4.351 -25.476 615 HG2 GLU 80 1HG GLU 80 20.043 3.364 -27.037 616 HG3 GLU 80 2HG GLU 80 19.610 1.966 -26.054 617 H LYS 81 H LYS 81 19.138 1.087 -24.298 618 HA LYS 81 HA LYS 81 19.327 2.112 -21.548 619 HB2 LYS 81 1HB LYS 81 20.158 -0.043 -20.902 620 HB3 LYS 81 2HB LYS 81 18.710 -0.291 -21.870 621 HG2 LYS 81 1HG LYS 81 20.458 -0.498 -23.827 622 HG3 LYS 81 2HG LYS 81 21.546 -0.914 -22.499 623 HD2 LYS 81 1HD LYS 81 20.717 -2.984 -23.119 624 HD3 LYS 81 2HD LYS 81 19.642 -2.536 -21.793 625 HE2 LYS 81 1HE LYS 81 18.102 -1.579 -23.581 626 HE3 LYS 81 2HE LYS 81 19.105 -2.436 -24.751 627 HZ1 LYS 81 1HZ LYS 81 17.254 -3.805 -24.198 628 HZ2 LYS 81 2HZ LYS 81 17.527 -3.629 -22.538 629 HZ3 LYS 81 3HZ LYS 81 18.625 -4.498 -23.487 630 H GLN 82 H GLN 82 21.571 1.799 -20.561 631 HA GLN 82 HA GLN 82 23.823 1.947 -22.326 632 HB2 GLN 82 1HB GLN 82 23.092 4.202 -22.666 633 HB3 GLN 82 2HB GLN 82 22.847 4.445 -20.942 634 HG2 GLN 82 1HG GLN 82 24.873 5.546 -21.811 635 HG3 GLN 82 2HG GLN 82 25.206 4.374 -20.535 636 HE21 GLN 82 1HE2 GLN 82 27.157 3.605 -20.975 637 HE22 GLN 82 2HE2 GLN 82 27.659 2.942 -22.489 638 H LYS 83 H LYS 83 25.395 0.943 -21.278 639 HA LYS 83 HA LYS 83 25.399 1.003 -18.338 640 HB2 LYS 83 1HB LYS 83 25.209 -1.236 -19.139 641 HB3 LYS 83 2HB LYS 83 26.494 -0.994 -20.317 642 HG2 LYS 83 1HG LYS 83 27.390 -2.301 -18.559 643 HG3 LYS 83 2HG LYS 83 28.070 -0.680 -18.394 644 HD2 LYS 83 1HD LYS 83 26.558 -0.160 -16.608 645 HD3 LYS 83 2HD LYS 83 25.664 -1.661 -16.862 646 HE2 LYS 83 1HE LYS 83 28.582 -1.787 -16.259 647 HE3 LYS 83 2HE LYS 83 27.450 -1.460 -14.948 648 HZ1 LYS 83 1HZ LYS 83 27.604 -3.857 -16.674 649 HZ2 LYS 83 2HZ LYS 83 26.228 -3.506 -15.756 650 HZ3 LYS 83 3HZ LYS 83 27.713 -3.771 -14.988 651 HA PRO 84 HA PRO 84 28.996 3.650 -19.328 652 HB2 PRO 84 1HB PRO 84 28.830 5.083 -17.028 653 HB3 PRO 84 2HB PRO 84 27.866 5.454 -18.462 654 HG2 PRO 84 1HG PRO 84 27.088 3.948 -15.994 655 HG3 PRO 84 2HG PRO 84 26.170 5.168 -16.896 656 HD2 PRO 84 1HD PRO 84 25.711 2.513 -17.157 657 HD3 PRO 84 2HD PRO 84 25.491 3.656 -18.497 658 H VAL 85 H VAL 85 30.993 4.057 -18.055 659 HA VAL 85 HA VAL 85 31.470 2.133 -15.902 660 HB VAL 85 HB VAL 85 33.213 2.341 -18.361 661 HG11 VAL 85 1HG1 VAL 85 33.579 0.978 -15.721 662 HG12 VAL 85 2HG1 VAL 85 34.340 0.340 -17.178 663 HG13 VAL 85 3HG1 VAL 85 34.716 1.974 -16.629 664 HG21 VAL 85 1HG2 VAL 85 31.628 0.912 -19.119 665 HG22 VAL 85 2HG2 VAL 85 32.568 -0.257 -18.190 666 HG23 VAL 85 3HG2 VAL 85 31.109 0.452 -17.497 667 H PHE 86 H PHE 86 32.982 2.769 -14.413 668 HA PHE 86 HA PHE 86 34.344 5.332 -14.905 669 HB2 PHE 86 1HB PHE 86 32.600 4.516 -12.626 670 HB3 PHE 86 2HB PHE 86 33.983 5.549 -12.283 671 HD1 PHE 86 2HD PHE 86 34.121 7.799 -13.247 672 HD2 PHE 86 1HD PHE 86 30.692 5.338 -13.797 673 HE1 PHE 86 2HE PHE 86 32.825 9.768 -13.948 674 HE2 PHE 86 1HE PHE 86 29.390 7.303 -14.501 675 HZ PHE 86 HZ PHE 86 30.456 9.522 -14.575 676 H THR 87 H THR 87 36.458 5.000 -14.890 677 HA THR 87 HA THR 87 38.539 4.335 -14.240 678 HB THR 87 HB THR 87 37.330 3.132 -11.755 679 HG1 THR 87 1HG THR 87 37.926 5.381 -10.947 680 HG21 THR 87 1HG2 THR 87 39.436 3.242 -10.850 681 HG22 THR 87 2HG2 THR 87 39.917 4.606 -11.861 682 HG23 THR 87 3HG2 THR 87 39.850 2.981 -12.543 683 H SER 88 H SER 88 37.099 2.695 -15.957 684 HA SER 88 HA SER 88 36.690 0.081 -15.489 685 HB2 SER 88 1HB SER 88 37.579 -0.390 -17.778 686 HB3 SER 88 2HB SER 88 36.484 0.991 -17.724 687 HG SER 88 HG SER 88 38.689 2.136 -17.368 688 H GLY 89 H GLY 89 37.833 -1.771 -15.114 689 HA2 GLY 89 1HA GLY 89 40.263 -1.613 -13.737 690 HA3 GLY 89 2HA GLY 89 39.563 -3.090 -14.386 691 HA PRO 90 HA PRO 90 43.372 -1.450 -16.834 692 HB2 PRO 90 1HB PRO 90 45.406 -2.665 -15.507 693 HB3 PRO 90 2HB PRO 90 44.851 -1.030 -15.127 694 HG2 PRO 90 1HG PRO 90 44.210 -3.614 -13.758 695 HG3 PRO 90 2HG PRO 90 44.600 -2.038 -13.046 696 HD2 PRO 90 1HD PRO 90 42.061 -2.955 -13.254 697 HD3 PRO 90 2HD PRO 90 42.464 -1.228 -13.355 698 H SER 91 H SER 91 43.143 -4.581 -15.140 699 HA SER 91 HA SER 91 44.438 -6.296 -16.725 700 HB2 SER 91 1HB SER 91 42.871 -6.814 -14.757 701 HB3 SER 91 2HB SER 91 41.588 -6.922 -15.962 702 HG SER 91 HG SER 91 42.813 -8.921 -15.355 703 H SER 92 H SER 92 41.159 -5.116 -17.446 704 HA SER 92 HA SER 92 40.028 -4.885 -19.409 705 HB2 SER 92 1HB SER 92 42.213 -3.834 -20.137 706 HB3 SER 92 2HB SER 92 42.651 -5.400 -20.820 707 HG SER 92 HG SER 92 41.709 -4.297 -22.461 708 H GLY 93 H GLY 93 39.891 -7.333 -18.193 709 HA2 GLY 93 1HA GLY 93 39.801 -9.155 -20.516 710 HA3 GLY 93 2HA GLY 93 40.332 -9.705 -18.933 Start of MODEL 14 1 H1 GLY 1 H GLY 1 7.309 7.352 -31.746 2 HA2 GLY 1 1HA GLY 1 6.215 6.162 -33.397 3 HA3 GLY 1 2HA GLY 1 7.280 6.908 -34.582 4 H SER 2 H SER 2 9.746 6.100 -33.878 5 HA SER 2 HA SER 2 9.583 3.158 -33.872 6 HB2 SER 2 1HB SER 2 10.080 3.776 -36.126 7 HB3 SER 2 2HB SER 2 11.283 4.956 -35.606 8 HG SER 2 HG SER 2 12.490 3.243 -36.126 9 H SER 3 H SER 3 11.851 5.877 -33.466 10 HA SER 3 HA SER 3 13.652 4.335 -31.860 11 HB2 SER 3 1HB SER 3 13.472 7.207 -32.695 12 HB3 SER 3 2HB SER 3 14.560 6.757 -31.383 13 HG SER 3 HG SER 3 14.644 5.233 -33.717 14 H GLY 4 H GLY 4 13.632 4.015 -29.727 15 HA2 GLY 4 1HA GLY 4 12.676 5.883 -27.829 16 HA3 GLY 4 2HA GLY 4 11.448 4.660 -28.119 17 H SER 5 H SER 5 14.741 5.203 -27.004 18 HA SER 5 HA SER 5 15.135 2.500 -26.138 19 HB2 SER 5 1HB SER 5 17.171 3.400 -25.044 20 HB3 SER 5 2HB SER 5 17.052 3.884 -26.736 21 HG SER 5 HG SER 5 17.309 5.819 -25.951 22 H SER 6 H SER 6 14.399 5.567 -24.505 23 HA SER 6 HA SER 6 13.896 4.103 -22.017 24 HB2 SER 6 1HB SER 6 15.341 6.054 -21.809 25 HB3 SER 6 2HB SER 6 14.113 7.075 -22.557 26 HG SER 6 HG SER 6 12.840 6.007 -20.622 27 H GLY 7 H GLY 7 11.908 3.881 -21.146 28 HA2 GLY 7 1HA GLY 7 9.697 5.554 -21.734 29 HA3 GLY 7 2HA GLY 7 9.616 4.094 -22.709 30 H MET 8 H MET 8 9.987 5.192 -19.349 31 HA MET 8 HA MET 8 8.274 2.951 -18.530 32 HB2 MET 8 1HB MET 8 10.723 2.495 -18.076 33 HB3 MET 8 2HB MET 8 10.683 3.841 -16.945 34 HG2 MET 8 1HG MET 8 10.349 2.052 -15.553 35 HG3 MET 8 2HG MET 8 8.694 2.556 -15.887 36 HE1 MET 8 1HE MET 8 7.772 -0.812 -15.550 37 HE2 MET 8 2HE MET 8 7.499 0.918 -15.342 38 HE3 MET 8 3HE MET 8 6.871 0.090 -16.769 39 HA PRO 9 HA PRO 9 6.053 6.217 -16.542 40 HB2 PRO 9 1HB PRO 9 4.405 4.660 -15.049 41 HB3 PRO 9 2HB PRO 9 4.196 4.886 -16.790 42 HG2 PRO 9 1HG PRO 9 5.467 2.613 -15.313 43 HG3 PRO 9 2HG PRO 9 4.362 2.569 -16.699 44 HD2 PRO 9 1HD PRO 9 7.039 2.262 -16.961 45 HD3 PRO 9 2HD PRO 9 6.039 3.026 -18.212 46 H ASN 10 H ASN 10 5.652 7.066 -14.403 47 HA ASN 10 HA ASN 10 7.524 6.015 -12.384 48 HB2 ASN 10 1HB ASN 10 6.818 8.844 -13.130 49 HB3 ASN 10 2HB ASN 10 7.510 8.459 -11.557 50 HD21 ASN 10 1HD2 ASN 10 8.080 8.757 -14.940 51 HD22 ASN 10 2HD2 ASN 10 9.793 8.537 -14.889 52 H ARG 11 H ARG 11 4.463 7.747 -12.859 53 HA ARG 11 HA ARG 11 3.574 6.705 -10.248 54 HB2 ARG 11 1HB ARG 11 3.844 9.134 -10.169 55 HB3 ARG 11 2HB ARG 11 2.803 9.309 -11.576 56 HG2 ARG 11 1HG ARG 11 0.962 8.275 -10.244 57 HG3 ARG 11 2HG ARG 11 2.023 8.349 -8.835 58 HD2 ARG 11 1HD ARG 11 1.438 10.786 -10.483 59 HD3 ARG 11 2HD ARG 11 0.344 10.262 -9.203 60 HE ARG 11 HE ARG 11 1.898 10.921 -7.629 61 HH11 ARG 11 1HH1 ARG 11 3.290 11.046 -10.818 62 HH12 ARG 11 2HH1 ARG 11 4.700 11.916 -10.310 63 HH21 ARG 11 1HH2 ARG 11 3.749 12.067 -6.948 64 HH22 ARG 11 2HH2 ARG 11 4.960 12.495 -8.109 65 H LYS 12 H LYS 12 1.522 5.845 -10.110 66 HA LYS 12 HA LYS 12 -0.039 5.694 -12.595 67 HB2 LYS 12 1HB LYS 12 -0.522 3.311 -12.105 68 HB3 LYS 12 2HB LYS 12 1.176 3.610 -12.454 69 HG2 LYS 12 1HG LYS 12 1.485 3.733 -9.918 70 HG3 LYS 12 2HG LYS 12 -0.117 3.000 -9.820 71 HD2 LYS 12 1HD LYS 12 1.364 1.186 -9.737 72 HD3 LYS 12 2HD LYS 12 0.800 1.217 -11.410 73 HE2 LYS 12 1HE LYS 12 2.903 2.701 -11.801 74 HE3 LYS 12 2HE LYS 12 3.463 1.992 -10.287 75 HZ1 LYS 12 1HZ LYS 12 3.115 -0.215 -11.280 76 HZ2 LYS 12 2HZ LYS 12 4.262 0.699 -12.125 77 HZ3 LYS 12 3HZ LYS 12 2.700 0.517 -12.749 78 H ALA 13 H ALA 13 -2.201 4.365 -11.899 79 HA ALA 13 HA ALA 13 -3.198 5.583 -9.413 80 HB1 ALA 13 1HB ALA 13 -5.309 5.447 -11.330 81 HB2 ALA 13 2HB ALA 13 -4.649 6.858 -10.503 82 HB3 ALA 13 3HB ALA 13 -3.947 6.323 -12.029 83 H SER 14 H SER 14 -3.841 3.186 -11.958 84 HA SER 14 HA SER 14 -5.853 1.702 -11.024 85 HB2 SER 14 1HB SER 14 -3.221 0.511 -11.931 86 HB3 SER 14 2HB SER 14 -4.787 -0.299 -11.948 87 HG SER 14 HG SER 14 -4.203 0.601 -13.993 88 H ARG 15 H ARG 15 -2.521 0.904 -10.027 89 HA ARG 15 HA ARG 15 -3.570 0.219 -7.365 90 HB2 ARG 15 1HB ARG 15 -1.645 -1.401 -9.037 91 HB3 ARG 15 2HB ARG 15 -1.936 -1.685 -7.325 92 HG2 ARG 15 1HG ARG 15 -4.272 -2.177 -7.787 93 HG3 ARG 15 2HG ARG 15 -4.012 -1.848 -9.501 94 HD2 ARG 15 1HD ARG 15 -2.185 -3.662 -9.338 95 HD3 ARG 15 2HD ARG 15 -2.988 -4.120 -7.837 96 HE ARG 15 HE ARG 15 -4.739 -3.917 -10.119 97 HH11 ARG 15 1HH1 ARG 15 -2.653 -5.983 -8.249 98 HH12 ARG 15 2HH1 ARG 15 -3.415 -7.449 -8.775 99 HH21 ARG 15 1HH2 ARG 15 -5.751 -5.838 -10.819 100 HH22 ARG 15 2HH2 ARG 15 -5.176 -7.364 -10.237 101 H ASN 16 H ASN 16 -2.606 1.403 -5.865 102 HA ASN 16 HA ASN 16 0.231 2.098 -6.215 103 HB2 ASN 16 1HB ASN 16 -2.049 3.898 -5.412 104 HB3 ASN 16 2HB ASN 16 -0.379 4.280 -5.002 105 HD21 ASN 16 1HD2 ASN 16 1.011 4.961 -6.579 106 HD22 ASN 16 2HD2 ASN 16 0.505 5.352 -8.183 107 H ALA 17 H ALA 17 1.174 2.916 -4.073 108 HA ALA 17 HA ALA 17 1.436 1.019 -2.223 109 HB1 ALA 17 1HB ALA 17 2.209 3.617 -2.349 110 HB2 ALA 17 2HB ALA 17 1.149 3.642 -0.939 111 HB3 ALA 17 3HB ALA 17 2.527 2.542 -0.987 112 H TYR 18 H TYR 18 -1.120 3.492 -2.071 113 HA TYR 18 HA TYR 18 -2.348 2.731 0.280 114 HB2 TYR 18 1HB TYR 18 -2.918 4.738 -1.107 115 HB3 TYR 18 2HB TYR 18 -3.792 3.674 -2.204 116 HD1 TYR 18 2HD TYR 18 -3.638 4.457 1.451 117 HD2 TYR 18 1HD TYR 18 -6.068 3.471 -1.899 118 HE1 TYR 18 2HE TYR 18 -5.647 4.673 2.852 119 HE2 TYR 18 1HE TYR 18 -8.085 3.685 -0.507 120 HH TYR 18 HH TYR 18 -8.842 4.635 1.502 121 H TYR 19 H TYR 19 -3.012 1.536 -3.003 122 HA TYR 19 HA TYR 19 -5.076 -0.219 -2.392 123 HB2 TYR 19 1HB TYR 19 -4.570 0.274 -4.685 124 HB3 TYR 19 2HB TYR 19 -2.942 -0.374 -4.525 125 HD1 TYR 19 1HD TYR 19 -2.753 -2.895 -3.951 126 HD2 TYR 19 2HD TYR 19 -6.283 -1.083 -5.485 127 HE1 TYR 19 1HE TYR 19 -3.550 -5.097 -4.701 128 HE2 TYR 19 2HE TYR 19 -7.091 -3.281 -6.237 129 HH TYR 19 HH TYR 19 -5.069 -6.100 -6.180 130 H PHE 20 H PHE 20 -1.575 -0.804 -2.431 131 HA PHE 20 HA PHE 20 -1.673 -3.535 -1.786 132 HB2 PHE 20 1HB PHE 20 0.395 -1.398 -1.671 133 HB3 PHE 20 2HB PHE 20 0.698 -2.866 -0.747 134 HD1 PHE 20 2HD PHE 20 -0.532 -1.928 -4.146 135 HD2 PHE 20 1HD PHE 20 1.926 -4.485 -1.794 136 HE1 PHE 20 2HE PHE 20 0.256 -3.046 -6.192 137 HE2 PHE 20 1HE PHE 20 2.719 -5.607 -3.835 138 HZ PHE 20 HZ PHE 20 1.883 -4.888 -6.038 139 H PHE 21 H PHE 21 -1.663 -0.649 0.228 140 HA PHE 21 HA PHE 21 -1.269 -1.931 2.707 141 HB2 PHE 21 1HB PHE 21 -0.943 0.446 2.545 142 HB3 PHE 21 2HB PHE 21 -2.601 0.688 2.002 143 HD1 PHE 21 1HD PHE 21 -0.612 -0.524 4.897 144 HD2 PHE 21 2HD PHE 21 -4.269 1.175 3.535 145 HE1 PHE 21 1HE PHE 21 -1.319 -0.185 7.230 146 HE2 PHE 21 2HE PHE 21 -4.982 1.519 5.865 147 HZ PHE 21 HZ PHE 21 -3.506 0.839 7.716 148 H VAL 22 H VAL 22 -4.233 -0.932 1.021 149 HA VAL 22 HA VAL 22 -6.018 -1.879 3.004 150 HB VAL 22 HB VAL 22 -6.555 -1.501 0.054 151 HG11 VAL 22 1HG1 VAL 22 -8.199 -2.835 1.487 152 HG12 VAL 22 2HG1 VAL 22 -8.544 -1.304 2.295 153 HG13 VAL 22 3HG1 VAL 22 -8.840 -1.477 0.564 154 HG21 VAL 22 1HG2 VAL 22 -5.903 0.611 0.637 155 HG22 VAL 22 2HG2 VAL 22 -7.600 0.686 1.111 156 HG23 VAL 22 3HG2 VAL 22 -6.356 0.404 2.329 157 H GLN 23 H GLN 23 -4.728 -3.323 0.039 158 HA GLN 23 HA GLN 23 -6.266 -5.632 -0.046 159 HB2 GLN 23 1HB GLN 23 -4.524 -4.755 -1.726 160 HB3 GLN 23 2HB GLN 23 -3.341 -5.615 -0.749 161 HG2 GLN 23 1HG GLN 23 -4.987 -7.624 -1.085 162 HG3 GLN 23 2HG GLN 23 -5.509 -6.683 -2.481 163 HE21 GLN 23 1HE2 GLN 23 -4.701 -8.589 -3.634 164 HE22 GLN 23 2HE2 GLN 23 -3.023 -8.658 -4.042 165 H GLU 24 H GLU 24 -3.282 -4.982 1.742 166 HA GLU 24 HA GLU 24 -3.172 -7.640 2.842 167 HB2 GLU 24 1HB GLU 24 -1.616 -5.116 3.397 168 HB3 GLU 24 2HB GLU 24 -1.348 -6.612 4.281 169 HG2 GLU 24 1HG GLU 24 -1.123 -6.363 1.293 170 HG3 GLU 24 2HG GLU 24 0.235 -6.213 2.405 171 H LYS 25 H LYS 25 -5.352 -5.399 3.355 172 HA LYS 25 HA LYS 25 -5.510 -5.897 6.257 173 HB2 LYS 25 1HB LYS 25 -6.340 -3.460 4.681 174 HB3 LYS 25 2HB LYS 25 -6.852 -3.752 6.338 175 HG2 LYS 25 1HG LYS 25 -3.946 -3.799 5.678 176 HG3 LYS 25 2HG LYS 25 -4.782 -2.253 5.837 177 HD2 LYS 25 1HD LYS 25 -4.980 -4.382 7.946 178 HD3 LYS 25 2HD LYS 25 -3.656 -3.216 7.926 179 HE2 LYS 25 1HE LYS 25 -5.129 -2.106 9.271 180 HE3 LYS 25 2HE LYS 25 -5.642 -1.493 7.700 181 HZ1 LYS 25 1HZ LYS 25 -7.255 -2.665 9.529 182 HZ2 LYS 25 2HZ LYS 25 -6.949 -3.938 8.458 183 HZ3 LYS 25 3HZ LYS 25 -7.612 -2.492 7.884 184 H ILE 26 H ILE 26 -7.023 -6.145 3.197 185 HA ILE 26 HA ILE 26 -9.710 -6.140 3.684 186 HB ILE 26 HB ILE 26 -7.983 -7.684 1.835 187 HG12 ILE 26 1HG1 ILE 26 -10.552 -6.195 1.300 188 HG13 ILE 26 2HG1 ILE 26 -9.003 -5.373 1.454 189 HG21 ILE 26 1HG2 ILE 26 -9.976 -8.911 0.957 190 HG22 ILE 26 2HG2 ILE 26 -9.414 -9.463 2.534 191 HG23 ILE 26 3HG2 ILE 26 -10.842 -8.434 2.417 192 HD11 ILE 26 1HD1 ILE 26 -8.243 -6.141 -0.541 193 HD12 ILE 26 2HD1 ILE 26 -9.178 -7.634 -0.451 194 HD13 ILE 26 3HD1 ILE 26 -9.974 -6.121 -0.882 195 HA PRO 27 HA PRO 27 -9.590 -10.723 5.207 196 HB2 PRO 27 1HB PRO 27 -7.153 -11.804 5.718 197 HB3 PRO 27 2HB PRO 27 -7.931 -11.895 4.134 198 HG2 PRO 27 1HG PRO 27 -5.804 -10.019 5.095 199 HG3 PRO 27 2HG PRO 27 -5.928 -10.870 3.544 200 HD2 PRO 27 1HD PRO 27 -6.610 -8.266 3.836 201 HD3 PRO 27 2HD PRO 27 -7.425 -9.343 2.683 202 H GLU 28 H GLU 28 -7.346 -8.350 6.411 203 HA GLU 28 HA GLU 28 -7.177 -9.360 9.074 204 HB2 GLU 28 1HB GLU 28 -5.559 -7.756 7.913 205 HB3 GLU 28 2HB GLU 28 -6.737 -6.496 8.250 206 HG2 GLU 28 1HG GLU 28 -6.468 -6.724 10.578 207 HG3 GLU 28 2HG GLU 28 -5.593 -8.243 10.404 208 H LEU 29 H LEU 29 -9.251 -7.049 7.424 209 HA LEU 29 HA LEU 29 -10.576 -6.208 9.836 210 HB2 LEU 29 1HB LEU 29 -11.346 -5.806 6.949 211 HB3 LEU 29 2HB LEU 29 -12.073 -4.991 8.332 212 HG LEU 29 HG LEU 29 -9.149 -4.706 7.717 213 HD11 LEU 29 1HD1 LEU 29 -11.024 -2.611 6.802 214 HD12 LEU 29 2HD1 LEU 29 -10.924 -4.075 5.825 215 HD13 LEU 29 3HD1 LEU 29 -9.473 -3.122 6.135 216 HD21 LEU 29 1HD2 LEU 29 -10.665 -2.465 8.804 217 HD22 LEU 29 2HD2 LEU 29 -9.153 -3.187 9.355 218 HD23 LEU 29 3HD2 LEU 29 -10.696 -3.896 9.834 219 H ARG 30 H ARG 30 -11.426 -8.244 7.049 220 HA ARG 30 HA ARG 30 -13.993 -8.908 7.491 221 HB2 ARG 30 1HB ARG 30 -11.654 -10.505 6.571 222 HB3 ARG 30 2HB ARG 30 -13.148 -11.367 6.914 223 HG2 ARG 30 1HG ARG 30 -14.338 -9.932 5.330 224 HG3 ARG 30 2HG ARG 30 -12.832 -9.081 4.979 225 HD2 ARG 30 1HD ARG 30 -12.869 -10.597 3.259 226 HD3 ARG 30 2HD ARG 30 -11.957 -11.501 4.467 227 HE ARG 30 HE ARG 30 -13.681 -12.999 4.593 228 HH11 ARG 30 1HH1 ARG 30 -14.803 -10.101 3.023 229 HH12 ARG 30 2HH1 ARG 30 -16.337 -10.776 2.584 230 HH21 ARG 30 1HH2 ARG 30 -15.698 -13.900 4.020 231 HH22 ARG 30 2HH2 ARG 30 -16.845 -12.936 3.153 232 H ARG 31 H ARG 31 -11.235 -10.286 9.250 233 HA ARG 31 HA ARG 31 -12.791 -12.007 10.882 234 HB2 ARG 31 1HB ARG 31 -9.990 -10.922 11.115 235 HB3 ARG 31 2HB ARG 31 -10.683 -11.980 12.336 236 HG2 ARG 31 1HG ARG 31 -10.974 -13.737 10.705 237 HG3 ARG 31 2HG ARG 31 -10.394 -12.673 9.422 238 HD2 ARG 31 1HD ARG 31 -8.739 -13.358 11.836 239 HD3 ARG 31 2HD ARG 31 -8.726 -14.337 10.369 240 HE ARG 31 HE ARG 31 -8.246 -11.648 9.700 241 HH11 ARG 31 1HH1 ARG 31 -6.719 -14.344 11.288 242 HH12 ARG 31 2HH1 ARG 31 -5.111 -13.827 10.905 243 HH21 ARG 31 1HH2 ARG 31 -6.133 -10.956 9.189 244 HH22 ARG 31 2HH2 ARG 31 -4.778 -11.900 9.712 245 H ARG 32 H ARG 32 -11.532 -8.732 11.310 246 HA ARG 32 HA ARG 32 -12.097 -8.323 13.983 247 HB2 ARG 32 1HB ARG 32 -12.245 -6.407 11.654 248 HB3 ARG 32 2HB ARG 32 -12.400 -5.901 13.330 249 HG2 ARG 32 1HG ARG 32 -10.159 -6.769 13.797 250 HG3 ARG 32 2HG ARG 32 -10.005 -7.255 12.108 251 HD2 ARG 32 1HD ARG 32 -8.949 -5.224 12.047 252 HD3 ARG 32 2HD ARG 32 -10.599 -4.733 11.668 253 HE ARG 32 HE ARG 32 -9.126 -4.188 14.106 254 HH11 ARG 32 1HH1 ARG 32 -12.206 -4.212 12.484 255 HH12 ARG 32 2HH1 ARG 32 -12.936 -3.082 13.576 256 HH21 ARG 32 1HH2 ARG 32 -10.077 -2.700 15.550 257 HH22 ARG 32 2HH2 ARG 32 -11.724 -2.221 15.318 258 H GLY 33 H GLY 33 -14.253 -7.914 11.189 259 HA2 GLY 33 1HA GLY 33 -16.579 -8.751 11.671 260 HA3 GLY 33 2HA GLY 33 -16.510 -7.710 13.085 261 H LEU 34 H LEU 34 -15.352 -7.007 9.817 262 HA LEU 34 HA LEU 34 -17.396 -4.893 9.638 263 HB2 LEU 34 1HB LEU 34 -14.500 -4.820 8.825 264 HB3 LEU 34 2HB LEU 34 -15.683 -3.628 8.292 265 HG LEU 34 HG LEU 34 -15.028 -4.141 11.189 266 HD11 LEU 34 1HD1 LEU 34 -14.077 -1.655 9.984 267 HD12 LEU 34 2HD1 LEU 34 -13.269 -3.101 9.375 268 HD13 LEU 34 3HD1 LEU 34 -13.276 -2.756 11.105 269 HD21 LEU 34 1HD2 LEU 34 -17.154 -3.117 10.966 270 HD22 LEU 34 2HD2 LEU 34 -16.569 -2.010 9.724 271 HD23 LEU 34 3HD2 LEU 34 -16.021 -1.834 11.391 272 HA PRO 35 HA PRO 35 -18.588 -6.729 5.818 273 HB2 PRO 35 1HB PRO 35 -19.768 -4.578 4.656 274 HB3 PRO 35 2HB PRO 35 -20.507 -5.476 5.987 275 HG2 PRO 35 1HG PRO 35 -18.976 -2.904 6.054 276 HG3 PRO 35 2HG PRO 35 -20.467 -3.341 6.909 277 HD2 PRO 35 1HD PRO 35 -18.039 -3.373 8.106 278 HD3 PRO 35 2HD PRO 35 -19.336 -4.502 8.548 279 H VAL 36 H VAL 36 -16.456 -7.079 4.986 280 HA VAL 36 HA VAL 36 -15.751 -5.177 2.862 281 HB VAL 36 HB VAL 36 -13.299 -5.901 3.376 282 HG11 VAL 36 1HG1 VAL 36 -13.457 -4.048 5.347 283 HG12 VAL 36 2HG1 VAL 36 -13.468 -3.672 3.623 284 HG13 VAL 36 3HG1 VAL 36 -14.987 -3.783 4.512 285 HG21 VAL 36 1HG2 VAL 36 -12.776 -6.720 5.433 286 HG22 VAL 36 2HG2 VAL 36 -14.166 -5.963 6.213 287 HG23 VAL 36 3HG2 VAL 36 -14.379 -7.434 5.264 288 H ALA 37 H ALA 37 -15.969 -6.221 1.003 289 HA ALA 37 HA ALA 37 -15.374 -9.099 0.905 290 HB1 ALA 37 1HB ALA 37 -17.379 -7.398 -0.379 291 HB2 ALA 37 2HB ALA 37 -16.596 -8.544 -1.469 292 HB3 ALA 37 3HB ALA 37 -17.415 -9.124 -0.018 293 H ARG 38 H ARG 38 -14.540 -5.993 -0.446 294 HA ARG 38 HA ARG 38 -12.206 -7.191 -1.711 295 HB2 ARG 38 1HB ARG 38 -12.578 -6.069 -3.841 296 HB3 ARG 38 2HB ARG 38 -13.915 -7.154 -3.481 297 HG2 ARG 38 1HG ARG 38 -15.184 -5.172 -2.635 298 HG3 ARG 38 2HG ARG 38 -13.880 -4.157 -3.255 299 HD2 ARG 38 1HD ARG 38 -15.464 -4.154 -4.970 300 HD3 ARG 38 2HD ARG 38 -14.274 -5.347 -5.489 301 HE ARG 38 HE ARG 38 -16.484 -6.460 -4.020 302 HH11 ARG 38 1HH1 ARG 38 -15.306 -5.505 -7.155 303 HH12 ARG 38 2HH1 ARG 38 -16.369 -6.564 -8.021 304 HH21 ARG 38 1HH2 ARG 38 -17.889 -7.858 -5.150 305 HH22 ARG 38 2HH2 ARG 38 -17.838 -7.901 -6.880 306 H VAL 39 H VAL 39 -10.979 -5.195 -2.863 307 HA VAL 39 HA VAL 39 -10.027 -3.587 -0.791 308 HB VAL 39 HB VAL 39 -9.803 -3.320 -3.781 309 HG11 VAL 39 1HG1 VAL 39 -9.404 -1.133 -3.378 310 HG12 VAL 39 2HG1 VAL 39 -9.041 -1.401 -1.673 311 HG13 VAL 39 3HG1 VAL 39 -7.818 -1.736 -2.899 312 HG21 VAL 39 1HG2 VAL 39 -8.636 -5.190 -2.685 313 HG22 VAL 39 2HG2 VAL 39 -7.515 -4.034 -3.408 314 HG23 VAL 39 3HG2 VAL 39 -7.777 -4.037 -1.663 315 H ALA 40 H ALA 40 -12.117 -2.663 -3.529 316 HA ALA 40 HA ALA 40 -12.541 -0.019 -2.950 317 HB1 ALA 40 1HB ALA 40 -14.845 -1.712 -3.829 318 HB2 ALA 40 2HB ALA 40 -14.380 -0.094 -4.353 319 HB3 ALA 40 3HB ALA 40 -13.446 -1.494 -4.880 320 H ASP 41 H ASP 41 -13.701 -2.785 -1.224 321 HA ASP 41 HA ASP 41 -15.707 -1.294 0.243 322 HB2 ASP 41 1HB ASP 41 -14.821 -4.137 0.124 323 HB3 ASP 41 2HB ASP 41 -15.617 -3.586 1.595 324 H ALA 42 H ALA 42 -12.504 -2.669 0.810 325 HA ALA 42 HA ALA 42 -12.465 -1.738 3.557 326 HB1 ALA 42 1HB ALA 42 -11.241 -3.625 3.589 327 HB2 ALA 42 2HB ALA 42 -10.803 -3.496 1.886 328 HB3 ALA 42 3HB ALA 42 -9.930 -2.553 3.094 329 H ILE 43 H ILE 43 -12.302 -0.109 0.823 330 HA ILE 43 HA ILE 43 -9.887 1.333 0.911 331 HB ILE 43 HB ILE 43 -12.528 1.726 -0.377 332 HG12 ILE 43 1HG1 ILE 43 -9.648 1.843 -1.288 333 HG13 ILE 43 2HG1 ILE 43 -10.791 0.533 -1.560 334 HG21 ILE 43 1HG2 ILE 43 -10.595 3.963 0.157 335 HG22 ILE 43 2HG2 ILE 43 -11.730 3.994 -1.192 336 HG23 ILE 43 3HG2 ILE 43 -12.331 3.917 0.465 337 HD11 ILE 43 1HD1 ILE 43 -10.542 3.153 -2.918 338 HD12 ILE 43 2HD1 ILE 43 -10.890 1.556 -3.582 339 HD13 ILE 43 3HD1 ILE 43 -12.154 2.459 -2.747 340 HA PRO 44 HA PRO 44 -12.306 4.698 3.398 341 HB2 PRO 44 1HB PRO 44 -14.738 4.006 4.385 342 HB3 PRO 44 2HB PRO 44 -14.520 4.728 2.786 343 HG2 PRO 44 1HG PRO 44 -14.901 1.853 3.531 344 HG3 PRO 44 2HG PRO 44 -15.629 2.771 2.199 345 HD2 PRO 44 1HD PRO 44 -13.523 1.107 1.841 346 HD3 PRO 44 2HD PRO 44 -13.754 2.578 0.872 347 H TYR 45 H TYR 45 -13.062 1.390 4.462 348 HA TYR 45 HA TYR 45 -12.915 1.865 7.223 349 HB2 TYR 45 1HB TYR 45 -12.348 -0.673 5.679 350 HB3 TYR 45 2HB TYR 45 -12.584 -0.585 7.420 351 HD1 TYR 45 2HD TYR 45 -14.859 1.007 7.886 352 HD2 TYR 45 1HD TYR 45 -14.153 -1.632 4.624 353 HE1 TYR 45 2HE TYR 45 -17.286 0.753 7.574 354 HE2 TYR 45 1HE TYR 45 -16.578 -1.892 4.302 355 HH TYR 45 HH TYR 45 -18.897 -0.362 6.499 356 H CYS 46 H CYS 46 -10.501 2.041 4.923 357 HA CYS 46 HA CYS 46 -8.433 1.810 7.001 358 HB2 CYS 46 1HB CYS 46 -8.310 0.786 4.162 359 HB3 CYS 46 2HB CYS 46 -6.884 0.996 5.171 360 HG CYS 46 HG CYS 46 -7.447 -1.701 5.184 361 H SER 47 H SER 47 -9.936 4.096 5.863 362 HA SER 47 HA SER 47 -8.018 5.536 4.250 363 HB2 SER 47 1HB SER 47 -10.377 5.902 3.815 364 HB3 SER 47 2HB SER 47 -10.646 6.387 5.489 365 HG SER 47 HG SER 47 -9.984 7.927 3.466 366 H SER 48 H SER 48 -9.205 5.603 7.575 367 HA SER 48 HA SER 48 -7.616 7.881 8.307 368 HB2 SER 48 1HB SER 48 -9.259 5.901 9.884 369 HB3 SER 48 2HB SER 48 -8.308 7.164 10.666 370 HG SER 48 HG SER 48 -10.663 7.345 9.245 371 H ASP 49 H ASP 49 -7.341 4.383 8.604 372 HA ASP 49 HA ASP 49 -5.100 4.329 10.313 373 HB2 ASP 49 1HB ASP 49 -6.400 2.390 8.452 374 HB3 ASP 49 2HB ASP 49 -4.778 2.024 9.034 375 H TRP 50 H TRP 50 -5.411 4.505 6.806 376 HA TRP 50 HA TRP 50 -2.686 4.115 6.189 377 HB2 TRP 50 1HB TRP 50 -4.308 3.871 4.444 378 HB3 TRP 50 2HB TRP 50 -4.910 5.508 4.694 379 HD1 TRP 50 HD TRP 50 -3.875 7.352 3.221 380 HE1 TRP 50 1HE TRP 50 -1.901 7.477 1.575 381 HE3 TRP 50 3HE TRP 50 -1.796 2.763 4.095 382 HZ2 TRP 50 2HZ TRP 50 0.253 5.847 0.755 383 HZ3 TRP 50 3HZ TRP 50 0.219 2.122 2.837 384 HH2 TRP 50 HH TRP 50 1.221 3.634 1.202 385 H ALA 51 H ALA 51 -4.549 6.960 7.061 386 HA ALA 51 HA ALA 51 -2.564 8.875 6.384 387 HB1 ALA 51 1HB ALA 51 -4.141 9.930 8.455 388 HB2 ALA 51 2HB ALA 51 -4.318 10.192 6.719 389 HB3 ALA 51 3HB ALA 51 -5.200 8.884 7.507 390 H LEU 52 H LEU 52 -2.779 6.609 8.887 391 HA LEU 52 HA LEU 52 -1.301 8.129 10.847 392 HB2 LEU 52 1HB LEU 52 -2.003 5.200 10.741 393 HB3 LEU 52 2HB LEU 52 -1.279 6.026 12.119 394 HG LEU 52 HG LEU 52 -4.004 6.665 10.996 395 HD11 LEU 52 1HD1 LEU 52 -3.394 5.136 13.512 396 HD12 LEU 52 2HD1 LEU 52 -3.761 4.355 11.974 397 HD13 LEU 52 3HD1 LEU 52 -4.960 5.394 12.743 398 HD21 LEU 52 1HD2 LEU 52 -2.317 8.113 12.688 399 HD22 LEU 52 2HD2 LEU 52 -3.517 7.369 13.745 400 HD23 LEU 52 3HD2 LEU 52 -4.035 8.386 12.399 401 H LEU 53 H LEU 53 -0.633 5.771 8.355 402 HA LEU 53 HA LEU 53 1.862 4.850 9.068 403 HB2 LEU 53 1HB LEU 53 0.531 5.389 6.460 404 HB3 LEU 53 2HB LEU 53 2.247 4.988 6.464 405 HG LEU 53 HG LEU 53 0.258 3.212 7.832 406 HD11 LEU 53 1HD1 LEU 53 0.761 3.512 4.910 407 HD12 LEU 53 2HD1 LEU 53 -0.741 3.165 5.766 408 HD13 LEU 53 3HD1 LEU 53 0.477 1.903 5.577 409 HD21 LEU 53 1HD2 LEU 53 3.005 3.203 7.656 410 HD22 LEU 53 2HD2 LEU 53 2.518 2.055 6.408 411 HD23 LEU 53 3HD2 LEU 53 1.988 1.824 8.075 412 H ARG 54 H ARG 54 4.003 5.463 8.284 413 HA ARG 54 HA ARG 54 4.335 8.380 8.350 414 HB2 ARG 54 1HB ARG 54 6.591 6.432 8.675 415 HB3 ARG 54 2HB ARG 54 6.434 8.064 9.311 416 HG2 ARG 54 1HG ARG 54 4.652 7.228 10.834 417 HG3 ARG 54 2HG ARG 54 5.009 5.595 10.270 418 HD2 ARG 54 1HD ARG 54 6.861 7.477 11.721 419 HD3 ARG 54 2HD ARG 54 6.184 5.966 12.327 420 HE ARG 54 HE ARG 54 7.637 5.416 9.999 421 HH11 ARG 54 1HH1 ARG 54 8.167 6.472 13.275 422 HH12 ARG 54 2HH1 ARG 54 9.758 5.795 13.374 423 HH21 ARG 54 1HH2 ARG 54 9.732 4.521 10.119 424 HH22 ARG 54 2HH2 ARG 54 10.648 4.686 11.577 425 H GLU 55 H GLU 55 5.712 9.436 6.886 426 HA GLU 55 HA GLU 55 5.512 8.993 4.262 427 HB2 GLU 55 1HB GLU 55 6.849 10.815 5.618 428 HB3 GLU 55 2HB GLU 55 8.229 9.804 5.213 429 HG2 GLU 55 1HG GLU 55 8.087 11.496 3.566 430 HG3 GLU 55 2HG GLU 55 7.557 9.992 2.814 431 H GLU 56 H GLU 56 8.193 7.679 6.208 432 HA GLU 56 HA GLU 56 9.537 6.292 4.246 433 HB2 GLU 56 1HB GLU 56 9.095 5.418 7.107 434 HB3 GLU 56 2HB GLU 56 10.353 4.813 6.037 435 HG2 GLU 56 1HG GLU 56 10.101 7.709 6.791 436 HG3 GLU 56 2HG GLU 56 11.059 6.550 7.713 437 H GLU 57 H GLU 57 6.878 5.088 6.284 438 HA GLU 57 HA GLU 57 6.721 2.527 5.165 439 HB2 GLU 57 1HB GLU 57 4.442 4.144 6.315 440 HB3 GLU 57 2HB GLU 57 4.509 2.394 6.156 441 HG2 GLU 57 1HG GLU 57 6.177 4.126 7.961 442 HG3 GLU 57 2HG GLU 57 4.932 2.969 8.431 443 H LYS 58 H LYS 58 4.793 5.430 4.423 444 HA LYS 58 HA LYS 58 3.219 4.396 2.401 445 HB2 LYS 58 1HB LYS 58 4.388 7.181 2.565 446 HB3 LYS 58 2HB LYS 58 3.010 6.706 1.579 447 HG2 LYS 58 1HG LYS 58 1.955 5.953 3.804 448 HG3 LYS 58 2HG LYS 58 3.202 6.954 4.555 449 HD2 LYS 58 1HD LYS 58 2.362 8.916 3.617 450 HD3 LYS 58 2HD LYS 58 1.464 8.047 2.370 451 HE2 LYS 58 1HE LYS 58 0.014 7.118 4.187 452 HE3 LYS 58 2HE LYS 58 0.837 8.193 5.315 453 HZ1 LYS 58 1HZ LYS 58 -0.474 9.847 4.694 454 HZ2 LYS 58 2HZ LYS 58 -1.344 8.781 3.709 455 HZ3 LYS 58 3HZ LYS 58 -0.045 9.655 3.068 456 H GLU 59 H GLU 59 6.469 5.796 2.168 457 HA GLU 59 HA GLU 59 6.705 5.651 -0.629 458 HB2 GLU 59 1HB GLU 59 8.208 6.807 1.192 459 HB3 GLU 59 2HB GLU 59 9.087 5.285 1.144 460 HG2 GLU 59 1HG GLU 59 9.449 5.568 -1.255 461 HG3 GLU 59 2HG GLU 59 8.573 7.096 -1.204 462 H LYS 60 H LYS 60 7.531 3.346 1.922 463 HA LYS 60 HA LYS 60 8.809 1.432 0.327 464 HB2 LYS 60 1HB LYS 60 9.087 1.116 2.617 465 HB3 LYS 60 2HB LYS 60 7.375 1.333 2.956 466 HG2 LYS 60 1HG LYS 60 6.943 -0.845 1.834 467 HG3 LYS 60 2HG LYS 60 8.689 -1.064 1.698 468 HD2 LYS 60 1HD LYS 60 8.720 -0.673 4.243 469 HD3 LYS 60 2HD LYS 60 6.984 -0.982 4.168 470 HE2 LYS 60 1HE LYS 60 7.745 -3.101 4.563 471 HE3 LYS 60 2HE LYS 60 7.767 -3.095 2.801 472 HZ1 LYS 60 1HZ LYS 60 10.181 -2.197 4.178 473 HZ2 LYS 60 2HZ LYS 60 10.019 -3.066 2.735 474 HZ3 LYS 60 3HZ LYS 60 9.839 -3.853 4.222 475 H TYR 61 H TYR 61 5.402 1.685 1.312 476 HA TYR 61 HA TYR 61 4.504 -0.620 -0.015 477 HB2 TYR 61 1HB TYR 61 3.192 1.850 1.036 478 HB3 TYR 61 2HB TYR 61 2.262 0.778 -0.004 479 HD1 TYR 61 1HD TYR 61 3.910 1.133 3.251 480 HD2 TYR 61 2HD TYR 61 1.619 -1.436 0.750 481 HE1 TYR 61 1HE TYR 61 3.423 -0.306 5.184 482 HE2 TYR 61 2HE TYR 61 1.125 -2.881 2.677 483 HH TYR 61 HH TYR 61 2.092 -1.990 5.939 484 H ALA 62 H ALA 62 4.903 2.705 -1.093 485 HA ALA 62 HA ALA 62 3.596 2.356 -3.602 486 HB1 ALA 62 1HB ALA 62 5.562 4.458 -3.650 487 HB2 ALA 62 2HB ALA 62 3.802 4.565 -3.705 488 HB3 ALA 62 3HB ALA 62 4.634 4.506 -2.151 489 H GLU 63 H GLU 63 6.981 2.277 -2.554 490 HA GLU 63 HA GLU 63 8.133 1.977 -5.100 491 HB2 GLU 63 1HB GLU 63 9.271 2.507 -2.856 492 HB3 GLU 63 2HB GLU 63 9.279 0.769 -2.594 493 HG2 GLU 63 1HG GLU 63 10.383 1.811 -5.145 494 HG3 GLU 63 2HG GLU 63 11.328 2.015 -3.671 495 H MET 64 H MET 64 7.254 -0.465 -2.663 496 HA MET 64 HA MET 64 8.005 -2.699 -4.211 497 HB2 MET 64 1HB MET 64 6.716 -4.016 -2.614 498 HB3 MET 64 2HB MET 64 7.677 -2.803 -1.779 499 HG2 MET 64 1HG MET 64 5.616 -1.367 -1.722 500 HG3 MET 64 2HG MET 64 4.721 -2.770 -2.302 501 HE1 MET 64 1HE MET 64 4.016 -4.950 0.133 502 HE2 MET 64 2HE MET 64 4.891 -4.931 -1.398 503 HE3 MET 64 3HE MET 64 5.718 -5.408 0.084 504 H ALA 65 H ALA 65 5.044 -0.832 -4.011 505 HA ALA 65 HA ALA 65 3.349 -2.622 -5.374 506 HB1 ALA 65 1HB ALA 65 1.993 -0.546 -5.850 507 HB2 ALA 65 2HB ALA 65 2.341 -0.867 -4.151 508 HB3 ALA 65 3HB ALA 65 3.256 0.363 -5.020 509 H ARG 66 H ARG 66 5.005 0.298 -6.592 510 HA ARG 66 HA ARG 66 4.341 -0.069 -9.284 511 HB2 ARG 66 1HB ARG 66 6.281 1.442 -9.741 512 HB3 ARG 66 2HB ARG 66 5.156 2.060 -8.540 513 HG2 ARG 66 1HG ARG 66 6.769 1.020 -6.819 514 HG3 ARG 66 2HG ARG 66 7.919 0.988 -8.157 515 HD2 ARG 66 1HD ARG 66 8.246 3.017 -6.922 516 HD3 ARG 66 2HD ARG 66 7.522 3.420 -8.479 517 HE ARG 66 HE ARG 66 5.412 3.154 -6.744 518 HH11 ARG 66 1HH1 ARG 66 8.285 5.113 -6.915 519 HH12 ARG 66 2HH1 ARG 66 7.576 6.456 -6.081 520 HH21 ARG 66 1HH2 ARG 66 4.468 4.916 -5.645 521 HH22 ARG 66 2HH2 ARG 66 5.406 6.343 -5.359 522 H GLU 67 H GLU 67 7.443 -0.787 -7.668 523 HA GLU 67 HA GLU 67 8.755 -1.990 -9.762 524 HB2 GLU 67 1HB GLU 67 8.856 -2.616 -6.812 525 HB3 GLU 67 2HB GLU 67 9.960 -3.328 -7.980 526 HG2 GLU 67 1HG GLU 67 9.667 -0.408 -7.323 527 HG3 GLU 67 2HG GLU 67 11.016 -1.461 -6.902 528 H TRP 68 H TRP 68 6.311 -3.356 -7.641 529 HA TRP 68 HA TRP 68 6.614 -6.050 -8.466 530 HB2 TRP 68 1HB TRP 68 5.481 -5.517 -6.386 531 HB3 TRP 68 2HB TRP 68 4.247 -4.608 -7.255 532 HD1 TRP 68 HD TRP 68 5.487 -8.252 -6.868 533 HE1 TRP 68 1HE TRP 68 3.493 -9.822 -7.296 534 HE3 TRP 68 3HE TRP 68 1.992 -4.776 -8.222 535 HZ2 TRP 68 2HZ TRP 68 0.796 -9.615 -8.100 536 HZ3 TRP 68 3HZ TRP 68 -0.271 -5.544 -8.806 537 HH2 TRP 68 HH TRP 68 -0.854 -7.914 -8.746 538 H ARG 69 H ARG 69 4.228 -3.562 -9.377 539 HA ARG 69 HA ARG 69 2.854 -5.061 -11.283 540 HB2 ARG 69 1HB ARG 69 3.215 -2.156 -10.746 541 HB3 ARG 69 2HB ARG 69 2.550 -2.615 -12.307 542 HG2 ARG 69 1HG ARG 69 1.364 -3.837 -9.878 543 HG3 ARG 69 2HG ARG 69 1.012 -2.141 -10.218 544 HD2 ARG 69 1HD ARG 69 0.576 -4.450 -12.112 545 HD3 ARG 69 2HD ARG 69 -0.678 -3.636 -11.177 546 HE ARG 69 HE ARG 69 0.843 -1.878 -12.871 547 HH11 ARG 69 1HH1 ARG 69 -1.898 -4.014 -12.671 548 HH12 ARG 69 2HH1 ARG 69 -2.745 -3.262 -13.983 549 HH21 ARG 69 1HH2 ARG 69 -0.261 -0.879 -14.599 550 HH22 ARG 69 2HH2 ARG 69 -1.811 -1.480 -15.079 551 H ALA 70 H ALA 70 5.770 -3.094 -11.586 552 HA ALA 70 HA ALA 70 5.979 -3.259 -14.407 553 HB1 ALA 70 1HB ALA 70 7.712 -2.380 -12.185 554 HB2 ALA 70 2HB ALA 70 8.527 -2.849 -13.677 555 HB3 ALA 70 3HB ALA 70 7.309 -1.575 -13.702 556 H ALA 71 H ALA 71 7.569 -5.081 -11.794 557 HA ALA 71 HA ALA 71 9.056 -6.790 -13.462 558 HB1 ALA 71 1HB ALA 71 9.011 -8.297 -11.369 559 HB2 ALA 71 2HB ALA 71 9.787 -6.717 -11.258 560 HB3 ALA 71 3HB ALA 71 8.165 -6.949 -10.608 561 H GLN 72 H GLN 72 5.758 -6.919 -12.300 562 HA GLN 72 HA GLN 72 5.351 -9.640 -13.183 563 HB2 GLN 72 1HB GLN 72 3.439 -7.542 -12.149 564 HB3 GLN 72 2HB GLN 72 2.964 -9.181 -12.572 565 HG2 GLN 72 1HG GLN 72 4.970 -8.438 -10.454 566 HG3 GLN 72 2HG GLN 72 3.292 -8.893 -10.165 567 HE21 GLN 72 1HE2 GLN 72 5.977 -10.088 -9.453 568 HE22 GLN 72 2HE2 GLN 72 5.838 -11.745 -9.924 569 H GLY 73 H GLY 73 5.109 -6.480 -14.520 570 HA2 GLY 73 1HA GLY 73 3.276 -7.263 -16.631 571 HA3 GLY 73 2HA GLY 73 4.032 -5.689 -16.435 572 H LYS 74 H LYS 74 6.713 -6.450 -16.330 573 HA LYS 74 HA LYS 74 8.376 -6.460 -17.941 574 HB2 LYS 74 1HB LYS 74 7.907 -8.866 -16.932 575 HB3 LYS 74 2HB LYS 74 7.468 -9.226 -18.596 576 HG2 LYS 74 1HG LYS 74 9.666 -9.772 -18.673 577 HG3 LYS 74 2HG LYS 74 9.793 -8.059 -19.078 578 HD2 LYS 74 1HD LYS 74 10.071 -7.673 -16.563 579 HD3 LYS 74 2HD LYS 74 10.346 -9.414 -16.452 580 HE2 LYS 74 1HE LYS 74 12.474 -8.337 -16.615 581 HE3 LYS 74 2HE LYS 74 12.163 -9.159 -18.142 582 HZ1 LYS 74 1HZ LYS 74 11.147 -6.567 -18.340 583 HZ2 LYS 74 2HZ LYS 74 12.452 -7.240 -19.177 584 HZ3 LYS 74 3HZ LYS 74 12.710 -6.444 -17.707 585 H ASP 75 H ASP 75 5.992 -5.356 -19.021 586 HA ASP 75 HA ASP 75 6.026 -6.406 -21.773 587 HB2 ASP 75 1HB ASP 75 3.930 -4.728 -20.375 588 HB3 ASP 75 2HB ASP 75 3.856 -5.244 -22.058 589 HA PRO 76 HA PRO 76 8.053 -2.756 -23.154 590 HB2 PRO 76 1HB PRO 76 7.215 -2.728 -25.737 591 HB3 PRO 76 2HB PRO 76 8.410 -3.877 -25.127 592 HG2 PRO 76 1HG PRO 76 5.478 -4.263 -25.593 593 HG3 PRO 76 2HG PRO 76 6.824 -5.353 -25.973 594 HD2 PRO 76 1HD PRO 76 5.255 -5.682 -23.792 595 HD3 PRO 76 2HD PRO 76 6.973 -6.129 -23.808 596 H GLY 77 H GLY 77 4.784 -2.953 -22.634 597 HA2 GLY 77 1HA GLY 77 3.039 -1.449 -22.680 598 HA3 GLY 77 2HA GLY 77 4.291 -0.291 -22.253 599 HA PRO 78 HA PRO 78 3.628 -0.196 -27.075 600 HB2 PRO 78 1HB PRO 78 1.196 -1.090 -27.882 601 HB3 PRO 78 2HB PRO 78 2.620 -2.133 -27.790 602 HG2 PRO 78 1HG PRO 78 0.364 -1.831 -25.846 603 HG3 PRO 78 2HG PRO 78 1.166 -3.309 -26.408 604 HD2 PRO 78 1HD PRO 78 1.730 -2.163 -24.021 605 HD3 PRO 78 2HD PRO 78 2.947 -3.039 -24.971 606 H SER 79 H SER 79 3.524 2.009 -26.572 607 HA SER 79 HA SER 79 2.603 4.089 -26.582 608 HB2 SER 79 1HB SER 79 1.218 2.885 -28.465 609 HB3 SER 79 2HB SER 79 -0.092 2.985 -27.289 610 HG SER 79 HG SER 79 0.768 5.335 -27.204 611 H GLU 80 H GLU 80 2.772 2.837 -24.151 612 HA GLU 80 HA GLU 80 0.293 2.929 -22.722 613 HB2 GLU 80 1HB GLU 80 1.572 2.423 -20.775 614 HB3 GLU 80 2HB GLU 80 2.269 1.502 -22.099 615 HG2 GLU 80 1HG GLU 80 3.383 4.164 -21.304 616 HG3 GLU 80 2HG GLU 80 3.849 2.683 -20.469 617 H LYS 81 H LYS 81 -0.474 4.483 -21.331 618 HA LYS 81 HA LYS 81 0.638 7.160 -21.719 619 HB2 LYS 81 1HB LYS 81 -2.030 6.098 -20.863 620 HB3 LYS 81 2HB LYS 81 -1.578 7.748 -20.452 621 HG2 LYS 81 1HG LYS 81 -1.490 6.693 -23.263 622 HG3 LYS 81 2HG LYS 81 -2.926 7.444 -22.561 623 HD2 LYS 81 1HD LYS 81 -1.618 9.478 -22.107 624 HD3 LYS 81 2HD LYS 81 -0.207 8.723 -22.853 625 HE2 LYS 81 1HE LYS 81 -2.785 8.964 -24.358 626 HE3 LYS 81 2HE LYS 81 -1.676 10.331 -24.256 627 HZ1 LYS 81 1HZ LYS 81 -0.596 9.431 -25.951 628 HZ2 LYS 81 2HZ LYS 81 -1.510 8.009 -25.882 629 HZ3 LYS 81 3HZ LYS 81 -0.118 8.167 -24.933 630 H GLN 82 H GLN 82 1.017 8.579 -19.964 631 HA GLN 82 HA GLN 82 0.769 7.864 -17.254 632 HB2 GLN 82 1HB GLN 82 3.038 7.353 -16.646 633 HB3 GLN 82 2HB GLN 82 2.538 6.233 -17.908 634 HG2 GLN 82 1HG GLN 82 4.065 8.736 -18.531 635 HG3 GLN 82 2HG GLN 82 4.872 7.239 -18.065 636 HE21 GLN 82 1HE2 GLN 82 3.176 8.924 -20.537 637 HE22 GLN 82 2HE2 GLN 82 3.365 7.738 -21.780 638 H LYS 83 H LYS 83 1.278 9.556 -15.893 639 HA LYS 83 HA LYS 83 1.427 12.128 -17.042 640 HB2 LYS 83 1HB LYS 83 1.609 11.067 -14.244 641 HB3 LYS 83 2HB LYS 83 1.960 12.761 -14.563 642 HG2 LYS 83 1HG LYS 83 -0.288 12.931 -15.648 643 HG3 LYS 83 2HG LYS 83 -0.619 11.297 -15.067 644 HD2 LYS 83 1HD LYS 83 -0.704 11.955 -12.862 645 HD3 LYS 83 2HD LYS 83 0.329 13.361 -13.132 646 HE2 LYS 83 1HE LYS 83 -1.831 14.220 -12.748 647 HE3 LYS 83 2HE LYS 83 -1.581 14.325 -14.489 648 HZ1 LYS 83 1HZ LYS 83 -2.700 11.863 -14.109 649 HZ2 LYS 83 2HZ LYS 83 -3.496 13.244 -14.674 650 HZ3 LYS 83 3HZ LYS 83 -3.544 12.854 -13.028 651 HA PRO 84 HA PRO 84 5.756 12.696 -17.597 652 HB2 PRO 84 1HB PRO 84 5.854 15.407 -17.497 653 HB3 PRO 84 2HB PRO 84 5.201 14.519 -18.880 654 HG2 PRO 84 1HG PRO 84 3.749 15.834 -16.616 655 HG3 PRO 84 2HG PRO 84 3.366 15.847 -18.347 656 HD2 PRO 84 1HD PRO 84 2.093 14.233 -16.586 657 HD3 PRO 84 2HD PRO 84 2.383 13.764 -18.273 658 H VAL 85 H VAL 85 7.569 14.152 -16.602 659 HA VAL 85 HA VAL 85 7.243 14.832 -13.824 660 HB VAL 85 HB VAL 85 7.500 12.365 -13.714 661 HG11 VAL 85 1HG1 VAL 85 9.129 11.224 -14.750 662 HG12 VAL 85 2HG1 VAL 85 9.300 12.674 -15.741 663 HG13 VAL 85 3HG1 VAL 85 10.356 12.426 -14.351 664 HG21 VAL 85 1HG2 VAL 85 9.209 14.340 -12.409 665 HG22 VAL 85 2HG2 VAL 85 8.245 13.038 -11.712 666 HG23 VAL 85 3HG2 VAL 85 9.854 12.700 -12.349 667 H PHE 86 H PHE 86 8.436 16.587 -13.548 668 HA PHE 86 HA PHE 86 11.126 16.705 -14.678 669 HB2 PHE 86 1HB PHE 86 10.064 17.857 -16.406 670 HB3 PHE 86 2HB PHE 86 8.887 18.595 -15.323 671 HD1 PHE 86 1HD PHE 86 12.499 18.614 -16.188 672 HD2 PHE 86 2HD PHE 86 9.212 20.754 -14.536 673 HE1 PHE 86 1HE PHE 86 13.880 20.647 -16.084 674 HE2 PHE 86 2HE PHE 86 10.587 22.791 -14.430 675 HZ PHE 86 HZ PHE 86 12.924 22.740 -15.206 676 H THR 87 H THR 87 12.459 17.220 -13.087 677 HA THR 87 HA THR 87 11.477 18.985 -10.938 678 HB THR 87 HB THR 87 13.304 17.839 -9.542 679 HG1 THR 87 1HG THR 87 12.939 15.758 -11.443 680 HG21 THR 87 1HG2 THR 87 10.678 16.709 -10.365 681 HG22 THR 87 2HG2 THR 87 11.211 17.300 -8.791 682 HG23 THR 87 3HG2 THR 87 11.730 15.714 -9.358 683 H SER 88 H SER 88 12.707 20.702 -10.342 684 HA SER 88 HA SER 88 14.767 21.546 -12.151 685 HB2 SER 88 1HB SER 88 14.850 23.577 -10.720 686 HB3 SER 88 2HB SER 88 13.214 23.189 -11.252 687 HG SER 88 HG SER 88 12.952 23.508 -9.136 688 H GLY 89 H GLY 89 16.865 22.433 -11.301 689 HA2 GLY 89 1HA GLY 89 18.849 22.189 -10.159 690 HA3 GLY 89 2HA GLY 89 17.943 21.415 -8.867 691 HA PRO 90 HA PRO 90 20.686 18.273 -10.961 692 HB2 PRO 90 1HB PRO 90 21.879 17.409 -8.680 693 HB3 PRO 90 2HB PRO 90 22.489 18.771 -9.626 694 HG2 PRO 90 1HG PRO 90 20.814 18.788 -7.146 695 HG3 PRO 90 2HG PRO 90 22.205 19.806 -7.563 696 HD2 PRO 90 1HD PRO 90 19.648 20.665 -7.799 697 HD3 PRO 90 2HD PRO 90 20.941 21.207 -8.887 698 H SER 91 H SER 91 18.044 18.385 -8.995 699 HA SER 91 HA SER 91 16.482 16.872 -8.326 700 HB2 SER 91 1HB SER 91 17.941 15.367 -10.469 701 HB3 SER 91 2HB SER 91 16.728 14.532 -9.498 702 HG SER 91 HG SER 91 15.486 16.635 -10.118 703 H SER 92 H SER 92 18.351 17.221 -6.478 704 HA SER 92 HA SER 92 18.723 14.523 -5.379 705 HB2 SER 92 1HB SER 92 20.954 14.878 -4.780 706 HB3 SER 92 2HB SER 92 20.865 15.616 -6.380 707 HG SER 92 HG SER 92 21.781 17.177 -5.218 708 H GLY 93 H GLY 93 19.439 14.765 -2.960 709 HA2 GLY 93 1HA GLY 93 19.178 16.593 -1.153 710 HA3 GLY 93 2HA GLY 93 17.527 16.649 -1.754 Start of MODEL 15 1 H1 GLY 1 H GLY 1 7.151 23.501 5.650 2 HA2 GLY 1 1HA GLY 1 5.890 21.575 6.538 3 HA3 GLY 1 2HA GLY 1 6.353 21.290 4.866 4 H SER 2 H SER 2 5.809 19.131 6.358 5 HA SER 2 HA SER 2 8.467 17.938 6.743 6 HB2 SER 2 1HB SER 2 7.554 18.410 8.970 7 HB3 SER 2 2HB SER 2 6.082 17.528 8.565 8 HG SER 2 HG SER 2 8.027 16.469 9.733 9 H SER 3 H SER 3 5.004 17.081 6.657 10 HA SER 3 HA SER 3 5.490 14.496 5.566 11 HB2 SER 3 1HB SER 3 3.467 15.179 6.928 12 HB3 SER 3 2HB SER 3 2.879 16.016 5.492 13 HG SER 3 HG SER 3 2.019 13.935 5.571 14 H GLY 4 H GLY 4 5.338 13.757 3.486 15 HA2 GLY 4 1HA GLY 4 6.044 15.454 1.387 16 HA3 GLY 4 2HA GLY 4 5.406 13.829 1.194 17 H SER 5 H SER 5 4.961 16.700 0.001 18 HA SER 5 HA SER 5 2.017 16.568 0.059 19 HB2 SER 5 1HB SER 5 2.052 18.977 -0.547 20 HB3 SER 5 2HB SER 5 2.828 18.659 1.003 21 HG SER 5 HG SER 5 3.956 20.081 -0.575 22 H SER 6 H SER 6 1.198 15.720 -1.727 23 HA SER 6 HA SER 6 2.699 15.476 -4.144 24 HB2 SER 6 1HB SER 6 -0.049 14.707 -3.253 25 HB3 SER 6 2HB SER 6 0.303 14.729 -4.980 26 HG SER 6 HG SER 6 1.121 12.831 -4.627 27 H GLY 7 H GLY 7 -0.261 17.273 -3.287 28 HA2 GLY 7 1HA GLY 7 0.064 19.693 -4.224 29 HA3 GLY 7 2HA GLY 7 0.015 18.832 -5.755 30 H MET 8 H MET 8 -1.910 18.457 -6.669 31 HA MET 8 HA MET 8 -4.273 19.439 -5.322 32 HB2 MET 8 1HB MET 8 -3.731 19.870 -7.755 33 HB3 MET 8 2HB MET 8 -4.106 18.179 -8.059 34 HG2 MET 8 1HG MET 8 -6.067 19.291 -8.600 35 HG3 MET 8 2HG MET 8 -6.366 18.677 -6.975 36 HE1 MET 8 1HE MET 8 -7.252 20.887 -9.105 37 HE2 MET 8 2HE MET 8 -7.985 22.121 -8.081 38 HE3 MET 8 3HE MET 8 -6.458 22.448 -8.899 39 HA PRO 9 HA PRO 9 -5.586 15.492 -3.836 40 HB2 PRO 9 1HB PRO 9 -8.167 16.142 -3.302 41 HB3 PRO 9 2HB PRO 9 -6.815 16.663 -2.289 42 HG2 PRO 9 1HG PRO 9 -8.287 18.179 -4.410 43 HG3 PRO 9 2HG PRO 9 -7.749 18.727 -2.812 44 HD2 PRO 9 1HD PRO 9 -6.396 19.310 -5.085 45 HD3 PRO 9 2HD PRO 9 -5.584 19.080 -3.522 46 H ASN 10 H ASN 10 -5.546 14.116 -5.590 47 HA ASN 10 HA ASN 10 -8.032 13.983 -7.162 48 HB2 ASN 10 1HB ASN 10 -5.800 14.789 -8.328 49 HB3 ASN 10 2HB ASN 10 -5.454 13.062 -8.364 50 HD21 ASN 10 1HD2 ASN 10 -5.518 13.796 -10.727 51 HD22 ASN 10 2HD2 ASN 10 -7.031 13.590 -11.534 52 H ARG 11 H ARG 11 -8.317 11.780 -8.192 53 HA ARG 11 HA ARG 11 -7.498 9.711 -6.262 54 HB2 ARG 11 1HB ARG 11 -10.022 10.119 -7.833 55 HB3 ARG 11 2HB ARG 11 -9.575 8.511 -7.280 56 HG2 ARG 11 1HG ARG 11 -9.591 10.739 -5.312 57 HG3 ARG 11 2HG ARG 11 -11.129 10.060 -5.847 58 HD2 ARG 11 1HD ARG 11 -10.643 7.956 -4.980 59 HD3 ARG 11 2HD ARG 11 -8.911 8.277 -4.920 60 HE ARG 11 HE ARG 11 -10.837 8.869 -2.897 61 HH11 ARG 11 1HH1 ARG 11 -7.820 9.899 -4.297 62 HH12 ARG 11 2HH1 ARG 11 -7.263 10.672 -2.850 63 HH21 ARG 11 1HH2 ARG 11 -10.115 9.883 -0.986 64 HH22 ARG 11 2HH2 ARG 11 -8.569 10.662 -0.967 65 H LYS 12 H LYS 12 -6.688 7.779 -6.988 66 HA LYS 12 HA LYS 12 -6.134 7.614 -9.878 67 HB2 LYS 12 1HB LYS 12 -4.435 6.948 -7.496 68 HB3 LYS 12 2HB LYS 12 -4.147 6.157 -9.039 69 HG2 LYS 12 1HG LYS 12 -2.671 7.968 -8.998 70 HG3 LYS 12 2HG LYS 12 -4.002 8.492 -10.034 71 HD2 LYS 12 1HD LYS 12 -4.989 9.686 -8.115 72 HD3 LYS 12 2HD LYS 12 -3.612 9.200 -7.125 73 HE2 LYS 12 1HE LYS 12 -3.175 10.658 -9.699 74 HE3 LYS 12 2HE LYS 12 -3.636 11.547 -8.247 75 HZ1 LYS 12 1HZ LYS 12 -1.623 9.909 -7.413 76 HZ2 LYS 12 2HZ LYS 12 -1.478 11.556 -7.770 77 HZ3 LYS 12 3HZ LYS 12 -1.111 10.401 -8.949 78 H ALA 13 H ALA 13 -6.591 5.750 -10.930 79 HA ALA 13 HA ALA 13 -8.178 3.785 -9.505 80 HB1 ALA 13 1HB ALA 13 -9.029 3.162 -11.531 81 HB2 ALA 13 2HB ALA 13 -8.552 4.819 -11.902 82 HB3 ALA 13 3HB ALA 13 -7.518 3.475 -12.387 83 H SER 14 H SER 14 -5.211 3.825 -11.464 84 HA SER 14 HA SER 14 -4.546 1.173 -11.475 85 HB2 SER 14 1HB SER 14 -2.844 3.646 -11.296 86 HB3 SER 14 2HB SER 14 -2.106 2.044 -11.321 87 HG SER 14 HG SER 14 -3.966 2.925 -13.268 88 H ARG 15 H ARG 15 -2.632 0.198 -10.195 89 HA ARG 15 HA ARG 15 -3.416 0.226 -7.399 90 HB2 ARG 15 1HB ARG 15 -1.442 -1.517 -8.886 91 HB3 ARG 15 2HB ARG 15 -1.915 -1.731 -7.206 92 HG2 ARG 15 1HG ARG 15 -4.062 -2.426 -7.769 93 HG3 ARG 15 2HG ARG 15 -3.956 -1.745 -9.394 94 HD2 ARG 15 1HD ARG 15 -2.593 -3.472 -10.160 95 HD3 ARG 15 2HD ARG 15 -2.119 -3.947 -8.530 96 HE ARG 15 HE ARG 15 -4.754 -4.455 -8.521 97 HH11 ARG 15 1HH1 ARG 15 -2.227 -5.272 -10.774 98 HH12 ARG 15 2HH1 ARG 15 -2.984 -6.744 -11.288 99 HH21 ARG 15 1HH2 ARG 15 -5.759 -6.389 -9.190 100 HH22 ARG 15 2HH2 ARG 15 -4.993 -7.378 -10.388 101 H ASN 16 H ASN 16 -2.297 1.131 -5.786 102 HA ASN 16 HA ASN 16 0.508 1.851 -6.202 103 HB2 ASN 16 1HB ASN 16 -1.062 3.800 -6.766 104 HB3 ASN 16 2HB ASN 16 -1.424 3.854 -5.043 105 HD21 ASN 16 1HD2 ASN 16 1.068 4.239 -7.460 106 HD22 ASN 16 2HD2 ASN 16 2.147 5.163 -6.478 107 H ALA 17 H ALA 17 1.344 2.887 -4.032 108 HA ALA 17 HA ALA 17 1.617 1.054 -2.107 109 HB1 ALA 17 1HB ALA 17 1.222 3.959 -1.417 110 HB2 ALA 17 2HB ALA 17 2.199 2.771 -0.556 111 HB3 ALA 17 3HB ALA 17 2.686 3.316 -2.161 112 H TYR 18 H TYR 18 -1.033 3.429 -2.150 113 HA TYR 18 HA TYR 18 -2.308 2.642 0.193 114 HB2 TYR 18 1HB TYR 18 -2.843 4.684 -1.144 115 HB3 TYR 18 2HB TYR 18 -3.659 3.654 -2.316 116 HD1 TYR 18 2HD TYR 18 -3.730 4.746 1.231 117 HD2 TYR 18 1HD TYR 18 -5.892 2.991 -1.987 118 HE1 TYR 18 2HE TYR 18 -5.802 4.902 2.545 119 HE2 TYR 18 1HE TYR 18 -7.970 3.144 -0.682 120 HH TYR 18 HH TYR 18 -8.925 4.160 1.148 121 H TYR 19 H TYR 19 -3.001 1.602 -3.144 122 HA TYR 19 HA TYR 19 -5.040 -0.172 -2.673 123 HB2 TYR 19 1HB TYR 19 -4.391 0.329 -4.925 124 HB3 TYR 19 2HB TYR 19 -2.782 -0.338 -4.672 125 HD1 TYR 19 1HD TYR 19 -2.605 -2.850 -4.195 126 HD2 TYR 19 2HD TYR 19 -6.113 -1.017 -5.757 127 HE1 TYR 19 1HE TYR 19 -3.378 -5.038 -5.011 128 HE2 TYR 19 2HE TYR 19 -6.896 -3.201 -6.577 129 HH TYR 19 HH TYR 19 -6.464 -5.684 -5.898 130 H PHE 20 H PHE 20 -1.556 -0.782 -2.444 131 HA PHE 20 HA PHE 20 -1.744 -3.528 -1.843 132 HB2 PHE 20 1HB PHE 20 0.363 -1.436 -1.586 133 HB3 PHE 20 2HB PHE 20 0.582 -2.936 -0.692 134 HD1 PHE 20 2HD PHE 20 -0.486 -1.902 -4.119 135 HD2 PHE 20 1HD PHE 20 1.859 -4.525 -1.723 136 HE1 PHE 20 2HE PHE 20 0.379 -2.982 -6.154 137 HE2 PHE 20 1HE PHE 20 2.728 -5.609 -3.755 138 HZ PHE 20 HZ PHE 20 1.987 -4.838 -5.973 139 H PHE 21 H PHE 21 -1.733 -0.643 0.183 140 HA PHE 21 HA PHE 21 -1.518 -1.939 2.673 141 HB2 PHE 21 1HB PHE 21 -1.116 0.423 2.547 142 HB3 PHE 21 2HB PHE 21 -2.726 0.719 1.899 143 HD1 PHE 21 1HD PHE 21 -0.999 -0.613 4.913 144 HD2 PHE 21 2HD PHE 21 -4.446 1.314 3.323 145 HE1 PHE 21 1HE PHE 21 -1.844 -0.251 7.194 146 HE2 PHE 21 2HE PHE 21 -5.296 1.680 5.604 147 HZ PHE 21 HZ PHE 21 -3.994 0.898 7.543 148 H VAL 22 H VAL 22 -4.334 -0.965 0.758 149 HA VAL 22 HA VAL 22 -6.243 -1.873 2.680 150 HB VAL 22 HB VAL 22 -6.657 -1.355 -0.267 151 HG11 VAL 22 1HG1 VAL 22 -8.652 -2.271 0.200 152 HG12 VAL 22 2HG1 VAL 22 -8.428 -2.112 1.943 153 HG13 VAL 22 3HG1 VAL 22 -8.986 -0.733 0.995 154 HG21 VAL 22 1HG2 VAL 22 -7.099 0.534 2.040 155 HG22 VAL 22 2HG2 VAL 22 -5.688 0.573 0.983 156 HG23 VAL 22 3HG2 VAL 22 -7.294 0.882 0.322 157 H GLN 23 H GLN 23 -4.479 -3.349 0.089 158 HA GLN 23 HA GLN 23 -6.217 -5.620 -0.185 159 HB2 GLN 23 1HB GLN 23 -4.487 -4.589 -1.881 160 HB3 GLN 23 2HB GLN 23 -3.360 -5.663 -1.062 161 HG2 GLN 23 1HG GLN 23 -4.959 -7.538 -1.551 162 HG3 GLN 23 2HG GLN 23 -5.841 -6.410 -2.579 163 HE21 GLN 23 1HE2 GLN 23 -5.240 -8.222 -4.104 164 HE22 GLN 23 2HE2 GLN 23 -3.757 -8.043 -4.970 165 H GLU 24 H GLU 24 -3.499 -4.756 1.788 166 HA GLU 24 HA GLU 24 -3.098 -7.505 2.673 167 HB2 GLU 24 1HB GLU 24 -1.663 -4.927 3.305 168 HB3 GLU 24 2HB GLU 24 -1.287 -6.452 4.091 169 HG2 GLU 24 1HG GLU 24 -0.756 -7.430 1.900 170 HG3 GLU 24 2HG GLU 24 -1.075 -5.868 1.147 171 H LYS 25 H LYS 25 -5.296 -5.249 3.338 172 HA LYS 25 HA LYS 25 -5.398 -5.906 6.210 173 HB2 LYS 25 1HB LYS 25 -6.270 -3.432 4.729 174 HB3 LYS 25 2HB LYS 25 -6.857 -3.804 6.344 175 HG2 LYS 25 1HG LYS 25 -3.924 -3.679 5.741 176 HG3 LYS 25 2HG LYS 25 -4.857 -2.228 6.118 177 HD2 LYS 25 1HD LYS 25 -5.659 -3.713 8.156 178 HD3 LYS 25 2HD LYS 25 -4.124 -4.531 7.857 179 HE2 LYS 25 1HE LYS 25 -3.409 -2.928 9.309 180 HE3 LYS 25 2HE LYS 25 -3.232 -2.038 7.797 181 HZ1 LYS 25 1HZ LYS 25 -4.592 -1.152 9.931 182 HZ2 LYS 25 2HZ LYS 25 -5.843 -1.833 9.017 183 HZ3 LYS 25 3HZ LYS 25 -4.863 -0.629 8.345 184 H ILE 26 H ILE 26 -7.030 -5.971 3.174 185 HA ILE 26 HA ILE 26 -9.670 -6.086 3.646 186 HB ILE 26 HB ILE 26 -7.917 -7.686 1.866 187 HG12 ILE 26 1HG1 ILE 26 -10.476 -6.222 1.234 188 HG13 ILE 26 2HG1 ILE 26 -8.940 -5.380 1.412 189 HG21 ILE 26 1HG2 ILE 26 -9.271 -9.489 2.419 190 HG22 ILE 26 2HG2 ILE 26 -10.702 -8.480 2.620 191 HG23 ILE 26 3HG2 ILE 26 -10.076 -8.810 1.005 192 HD11 ILE 26 1HD1 ILE 26 -8.107 -6.204 -0.535 193 HD12 ILE 26 2HD1 ILE 26 -9.054 -7.690 -0.443 194 HD13 ILE 26 3HD1 ILE 26 -9.825 -6.180 -0.932 195 HA PRO 27 HA PRO 27 -9.513 -10.618 5.321 196 HB2 PRO 27 1HB PRO 27 -7.068 -11.640 5.913 197 HB3 PRO 27 2HB PRO 27 -7.814 -11.799 4.319 198 HG2 PRO 27 1HG PRO 27 -5.736 -9.856 5.252 199 HG3 PRO 27 2HG PRO 27 -5.818 -10.761 3.730 200 HD2 PRO 27 1HD PRO 27 -6.547 -8.161 3.918 201 HD3 PRO 27 2HD PRO 27 -7.322 -9.290 2.789 202 H GLU 28 H GLU 28 -7.357 -8.149 6.479 203 HA GLU 28 HA GLU 28 -7.196 -9.066 9.176 204 HB2 GLU 28 1HB GLU 28 -5.492 -7.584 8.310 205 HB3 GLU 28 2HB GLU 28 -6.692 -6.352 7.949 206 HG2 GLU 28 1HG GLU 28 -6.899 -5.708 10.129 207 HG3 GLU 28 2HG GLU 28 -6.437 -7.290 10.756 208 H LEU 29 H LEU 29 -9.243 -6.745 7.467 209 HA LEU 29 HA LEU 29 -10.651 -5.917 9.816 210 HB2 LEU 29 1HB LEU 29 -11.267 -5.602 6.884 211 HB3 LEU 29 2HB LEU 29 -12.220 -4.877 8.178 212 HG LEU 29 HG LEU 29 -9.312 -4.277 7.637 213 HD11 LEU 29 1HD1 LEU 29 -10.239 -3.218 5.859 214 HD12 LEU 29 2HD1 LEU 29 -10.551 -1.988 7.083 215 HD13 LEU 29 3HD1 LEU 29 -11.831 -3.104 6.612 216 HD21 LEU 29 1HD2 LEU 29 -9.321 -3.310 9.631 217 HD22 LEU 29 2HD2 LEU 29 -10.998 -3.796 9.883 218 HD23 LEU 29 3HD2 LEU 29 -10.634 -2.255 9.105 219 H ARG 30 H ARG 30 -11.241 -8.232 7.218 220 HA ARG 30 HA ARG 30 -13.868 -8.897 7.645 221 HB2 ARG 30 1HB ARG 30 -11.503 -10.581 6.852 222 HB3 ARG 30 2HB ARG 30 -13.118 -11.269 6.969 223 HG2 ARG 30 1HG ARG 30 -13.935 -9.756 5.283 224 HG3 ARG 30 2HG ARG 30 -12.377 -8.931 5.225 225 HD2 ARG 30 1HD ARG 30 -12.612 -10.478 3.359 226 HD3 ARG 30 2HD ARG 30 -11.316 -10.988 4.438 227 HE ARG 30 HE ARG 30 -13.827 -12.228 5.041 228 HH11 ARG 30 1HH1 ARG 30 -10.999 -12.380 3.017 229 HH12 ARG 30 2HH1 ARG 30 -11.139 -14.081 2.725 230 HH21 ARG 30 1HH2 ARG 30 -14.023 -14.469 4.663 231 HH22 ARG 30 2HH2 ARG 30 -12.860 -15.269 3.661 232 H ARG 31 H ARG 31 -11.035 -9.993 9.453 233 HA ARG 31 HA ARG 31 -12.552 -11.757 11.138 234 HB2 ARG 31 1HB ARG 31 -10.451 -12.001 12.394 235 HB3 ARG 31 2HB ARG 31 -10.208 -12.227 10.668 236 HG2 ARG 31 1HG ARG 31 -9.010 -10.286 10.440 237 HG3 ARG 31 2HG ARG 31 -9.764 -9.530 11.845 238 HD2 ARG 31 1HD ARG 31 -7.578 -10.007 12.536 239 HD3 ARG 31 2HD ARG 31 -8.555 -11.302 13.229 240 HE ARG 31 HE ARG 31 -7.442 -11.964 10.669 241 HH11 ARG 31 1HH1 ARG 31 -6.842 -11.863 14.097 242 HH12 ARG 31 2HH1 ARG 31 -5.631 -13.102 14.054 243 HH21 ARG 31 1HH2 ARG 31 -5.850 -13.597 10.599 244 HH22 ARG 31 2HH2 ARG 31 -5.068 -14.086 12.064 245 H ARG 32 H ARG 32 -11.558 -8.425 11.221 246 HA ARG 32 HA ARG 32 -11.832 -7.944 13.980 247 HB2 ARG 32 1HB ARG 32 -11.938 -6.208 11.536 248 HB3 ARG 32 2HB ARG 32 -12.332 -5.536 13.113 249 HG2 ARG 32 1HG ARG 32 -10.032 -6.666 13.766 250 HG3 ARG 32 2HG ARG 32 -9.731 -6.466 12.040 251 HD2 ARG 32 1HD ARG 32 -8.950 -4.461 12.820 252 HD3 ARG 32 2HD ARG 32 -10.632 -4.037 12.504 253 HE ARG 32 HE ARG 32 -10.865 -3.635 14.730 254 HH11 ARG 32 1HH1 ARG 32 -8.206 -5.838 14.289 255 HH12 ARG 32 2HH1 ARG 32 -7.784 -5.871 15.969 256 HH21 ARG 32 1HH2 ARG 32 -10.320 -3.670 16.945 257 HH22 ARG 32 2HH2 ARG 32 -8.988 -4.638 17.479 258 H GLY 33 H GLY 33 -14.149 -7.743 11.305 259 HA2 GLY 33 1HA GLY 33 -16.434 -8.544 11.983 260 HA3 GLY 33 2HA GLY 33 -16.293 -7.399 13.309 261 H LEU 34 H LEU 34 -15.302 -6.906 9.954 262 HA LEU 34 HA LEU 34 -17.441 -4.901 9.686 263 HB2 LEU 34 1HB LEU 34 -14.564 -4.666 8.824 264 HB3 LEU 34 2HB LEU 34 -15.836 -3.541 8.352 265 HG LEU 34 HG LEU 34 -15.044 -4.036 11.217 266 HD11 LEU 34 1HD1 LEU 34 -13.097 -3.159 10.200 267 HD12 LEU 34 2HD1 LEU 34 -13.900 -1.801 10.987 268 HD13 LEU 34 3HD1 LEU 34 -14.027 -2.007 9.241 269 HD21 LEU 34 1HD2 LEU 34 -16.663 -1.888 9.853 270 HD22 LEU 34 2HD2 LEU 34 -16.174 -1.857 11.548 271 HD23 LEU 34 3HD2 LEU 34 -17.258 -3.120 10.965 272 HA PRO 35 HA PRO 35 -18.464 -6.973 5.940 273 HB2 PRO 35 1HB PRO 35 -19.760 -4.956 4.668 274 HB3 PRO 35 2HB PRO 35 -20.458 -5.837 6.032 275 HG2 PRO 35 1HG PRO 35 -19.093 -3.173 5.999 276 HG3 PRO 35 2HG PRO 35 -20.565 -3.665 6.856 277 HD2 PRO 35 1HD PRO 35 -18.156 -3.490 8.080 278 HD3 PRO 35 2HD PRO 35 -19.386 -4.678 8.558 279 H VAL 36 H VAL 36 -16.200 -7.132 5.272 280 HA VAL 36 HA VAL 36 -15.571 -5.249 3.093 281 HB VAL 36 HB VAL 36 -13.123 -6.041 3.612 282 HG11 VAL 36 1HG1 VAL 36 -13.492 -3.767 3.736 283 HG12 VAL 36 2HG1 VAL 36 -14.745 -3.930 4.968 284 HG13 VAL 36 3HG1 VAL 36 -13.048 -4.147 5.400 285 HG21 VAL 36 1HG2 VAL 36 -14.167 -6.126 6.412 286 HG22 VAL 36 2HG2 VAL 36 -14.131 -7.594 5.436 287 HG23 VAL 36 3HG2 VAL 36 -12.637 -6.720 5.770 288 H ALA 37 H ALA 37 -16.104 -6.356 1.303 289 HA ALA 37 HA ALA 37 -15.397 -9.189 1.097 290 HB1 ALA 37 1HB ALA 37 -17.180 -9.423 -0.226 291 HB2 ALA 37 2HB ALA 37 -17.639 -7.805 0.306 292 HB3 ALA 37 3HB ALA 37 -16.748 -8.019 -1.202 293 H ARG 38 H ARG 38 -14.674 -6.058 -0.309 294 HA ARG 38 HA ARG 38 -12.350 -7.236 -1.632 295 HB2 ARG 38 1HB ARG 38 -12.790 -5.985 -3.704 296 HB3 ARG 38 2HB ARG 38 -14.052 -7.164 -3.371 297 HG2 ARG 38 1HG ARG 38 -15.408 -5.300 -2.391 298 HG3 ARG 38 2HG ARG 38 -14.184 -4.185 -2.999 299 HD2 ARG 38 1HD ARG 38 -15.509 -6.173 -4.808 300 HD3 ARG 38 2HD ARG 38 -16.276 -4.629 -4.436 301 HE ARG 38 HE ARG 38 -13.846 -3.848 -5.232 302 HH11 ARG 38 1HH1 ARG 38 -16.115 -6.094 -6.621 303 HH12 ARG 38 2HH1 ARG 38 -15.610 -5.796 -8.251 304 HH21 ARG 38 1HH2 ARG 38 -13.172 -3.448 -7.374 305 HH22 ARG 38 2HH2 ARG 38 -13.935 -4.292 -8.679 306 H VAL 39 H VAL 39 -11.041 -5.307 -2.677 307 HA VAL 39 HA VAL 39 -10.074 -3.727 -0.611 308 HB VAL 39 HB VAL 39 -9.861 -3.420 -3.598 309 HG11 VAL 39 1HG1 VAL 39 -7.822 -1.911 -2.490 310 HG12 VAL 39 2HG1 VAL 39 -9.261 -1.294 -3.303 311 HG13 VAL 39 3HG1 VAL 39 -9.245 -1.465 -1.548 312 HG21 VAL 39 1HG2 VAL 39 -7.550 -4.131 -3.201 313 HG22 VAL 39 2HG2 VAL 39 -7.884 -4.247 -1.474 314 HG23 VAL 39 3HG2 VAL 39 -8.707 -5.322 -2.604 315 H ALA 40 H ALA 40 -12.264 -2.800 -3.259 316 HA ALA 40 HA ALA 40 -12.608 -0.133 -2.707 317 HB1 ALA 40 1HB ALA 40 -14.883 -1.930 -3.509 318 HB2 ALA 40 2HB ALA 40 -14.643 -0.229 -3.911 319 HB3 ALA 40 3HB ALA 40 -13.593 -1.458 -4.617 320 H ASP 41 H ASP 41 -13.883 -2.882 -0.977 321 HA ASP 41 HA ASP 41 -15.763 -1.358 0.572 322 HB2 ASP 41 1HB ASP 41 -14.796 -4.190 0.575 323 HB3 ASP 41 2HB ASP 41 -15.644 -3.576 1.992 324 H ALA 42 H ALA 42 -12.538 -2.716 1.098 325 HA ALA 42 HA ALA 42 -12.393 -1.735 3.805 326 HB1 ALA 42 1HB ALA 42 -11.246 -3.779 3.286 327 HB2 ALA 42 2HB ALA 42 -10.316 -2.985 2.014 328 HB3 ALA 42 3HB ALA 42 -10.050 -2.551 3.703 329 H ILE 43 H ILE 43 -12.010 -0.355 0.773 330 HA ILE 43 HA ILE 43 -9.837 1.298 0.885 331 HB ILE 43 HB ILE 43 -12.527 1.559 -0.334 332 HG12 ILE 43 1HG1 ILE 43 -9.679 1.770 -1.329 333 HG13 ILE 43 2HG1 ILE 43 -10.778 0.412 -1.544 334 HG21 ILE 43 1HG2 ILE 43 -11.819 3.840 -1.218 335 HG22 ILE 43 2HG2 ILE 43 -12.411 3.769 0.440 336 HG23 ILE 43 3HG2 ILE 43 -10.680 3.879 0.127 337 HD11 ILE 43 1HD1 ILE 43 -10.637 2.990 -2.978 338 HD12 ILE 43 2HD1 ILE 43 -11.011 1.373 -3.574 339 HD13 ILE 43 3HD1 ILE 43 -12.238 2.301 -2.712 340 HA PRO 44 HA PRO 44 -12.330 4.605 3.380 341 HB2 PRO 44 1HB PRO 44 -14.703 3.828 4.445 342 HB3 PRO 44 2HB PRO 44 -14.559 4.529 2.829 343 HG2 PRO 44 1HG PRO 44 -14.796 1.655 3.633 344 HG3 PRO 44 2HG PRO 44 -15.598 2.515 2.306 345 HD2 PRO 44 1HD PRO 44 -13.432 0.936 1.919 346 HD3 PRO 44 2HD PRO 44 -13.752 2.377 0.932 347 H TYR 45 H TYR 45 -12.977 1.303 4.546 348 HA TYR 45 HA TYR 45 -12.652 1.912 7.289 349 HB2 TYR 45 1HB TYR 45 -12.274 -0.765 5.935 350 HB3 TYR 45 2HB TYR 45 -12.610 -0.488 7.640 351 HD1 TYR 45 2HD TYR 45 -14.788 1.342 7.733 352 HD2 TYR 45 1HD TYR 45 -14.082 -1.771 4.919 353 HE1 TYR 45 2HE TYR 45 -17.201 1.208 7.282 354 HE2 TYR 45 1HE TYR 45 -16.494 -1.912 4.461 355 HH TYR 45 HH TYR 45 -18.592 0.256 4.972 356 H CYS 46 H CYS 46 -10.422 1.903 4.838 357 HA CYS 46 HA CYS 46 -8.213 1.319 6.699 358 HB2 CYS 46 1HB CYS 46 -8.353 0.945 3.704 359 HB3 CYS 46 2HB CYS 46 -6.862 0.835 4.630 360 HG CYS 46 HG CYS 46 -7.320 -1.755 4.396 361 H SER 47 H SER 47 -9.809 3.717 5.028 362 HA SER 47 HA SER 47 -7.696 5.363 4.150 363 HB2 SER 47 1HB SER 47 -10.590 5.769 4.759 364 HB3 SER 47 2HB SER 47 -9.567 7.195 4.595 365 HG SER 47 HG SER 47 -10.485 5.474 2.682 366 H SER 48 H SER 48 -9.705 5.642 7.087 367 HA SER 48 HA SER 48 -8.292 7.700 8.300 368 HB2 SER 48 1HB SER 48 -9.174 6.516 10.481 369 HB3 SER 48 2HB SER 48 -10.309 7.252 9.349 370 HG SER 48 HG SER 48 -9.561 4.528 9.187 371 H ASP 49 H ASP 49 -7.537 4.323 8.043 372 HA ASP 49 HA ASP 49 -5.508 4.382 10.098 373 HB2 ASP 49 1HB ASP 49 -6.091 2.263 8.018 374 HB3 ASP 49 2HB ASP 49 -5.054 2.074 9.429 375 H TRP 50 H TRP 50 -5.684 4.645 6.610 376 HA TRP 50 HA TRP 50 -2.931 4.315 6.065 377 HB2 TRP 50 1HB TRP 50 -4.553 4.118 4.284 378 HB3 TRP 50 2HB TRP 50 -5.095 5.774 4.538 379 HD1 TRP 50 HD TRP 50 -3.903 7.614 3.171 380 HE1 TRP 50 1HE TRP 50 -1.888 7.670 1.571 381 HE3 TRP 50 3HE TRP 50 -2.129 2.880 3.933 382 HZ2 TRP 50 2HZ TRP 50 0.179 5.937 0.741 383 HZ3 TRP 50 3HZ TRP 50 -0.129 2.157 2.695 384 HH2 TRP 50 HH TRP 50 0.999 3.655 1.133 385 H ALA 51 H ALA 51 -4.859 7.059 7.063 386 HA ALA 51 HA ALA 51 -2.918 9.059 6.487 387 HB1 ALA 51 1HB ALA 51 -5.559 8.940 7.627 388 HB2 ALA 51 2HB ALA 51 -4.518 10.011 8.565 389 HB3 ALA 51 3HB ALA 51 -4.736 10.286 6.836 390 H LEU 52 H LEU 52 -3.106 6.670 8.875 391 HA LEU 52 HA LEU 52 -1.641 8.142 10.894 392 HB2 LEU 52 1HB LEU 52 -2.302 5.205 10.776 393 HB3 LEU 52 2HB LEU 52 -1.726 6.096 12.183 394 HG LEU 52 HG LEU 52 -4.363 6.660 10.840 395 HD11 LEU 52 1HD1 LEU 52 -5.436 5.318 12.497 396 HD12 LEU 52 2HD1 LEU 52 -3.902 4.985 13.301 397 HD13 LEU 52 3HD1 LEU 52 -4.220 4.322 11.696 398 HD21 LEU 52 1HD2 LEU 52 -2.941 8.178 12.591 399 HD22 LEU 52 2HD2 LEU 52 -3.941 7.225 13.688 400 HD23 LEU 52 3HD2 LEU 52 -4.697 8.206 12.432 401 H LEU 53 H LEU 53 -0.984 5.988 8.262 402 HA LEU 53 HA LEU 53 1.492 4.953 9.007 403 HB2 LEU 53 1HB LEU 53 0.162 5.535 6.408 404 HB3 LEU 53 2HB LEU 53 1.873 5.115 6.405 405 HG LEU 53 HG LEU 53 -0.186 3.359 7.708 406 HD11 LEU 53 1HD1 LEU 53 -1.067 3.075 5.666 407 HD12 LEU 53 2HD1 LEU 53 0.380 2.114 5.364 408 HD13 LEU 53 3HD1 LEU 53 0.320 3.800 4.853 409 HD21 LEU 53 1HD2 LEU 53 2.068 2.071 6.478 410 HD22 LEU 53 2HD2 LEU 53 1.546 2.046 8.162 411 HD23 LEU 53 3HD2 LEU 53 2.610 3.330 7.587 412 H ARG 54 H ARG 54 3.639 5.562 8.310 413 HA ARG 54 HA ARG 54 3.997 8.471 8.382 414 HB2 ARG 54 1HB ARG 54 6.075 6.318 8.803 415 HB3 ARG 54 2HB ARG 54 6.250 8.037 9.134 416 HG2 ARG 54 1HG ARG 54 4.199 7.602 10.722 417 HG3 ARG 54 2HG ARG 54 4.803 5.945 10.668 418 HD2 ARG 54 1HD ARG 54 5.849 6.944 12.529 419 HD3 ARG 54 2HD ARG 54 7.073 6.903 11.260 420 HE ARG 54 HE ARG 54 5.679 9.366 11.217 421 HH11 ARG 54 1HH1 ARG 54 8.083 7.603 13.015 422 HH12 ARG 54 2HH1 ARG 54 8.878 9.028 13.600 423 HH21 ARG 54 1HH2 ARG 54 6.716 11.248 11.979 424 HH22 ARG 54 2HH2 ARG 54 8.100 11.100 13.011 425 H GLU 55 H GLU 55 5.774 9.393 7.083 426 HA GLU 55 HA GLU 55 5.454 9.043 4.386 427 HB2 GLU 55 1HB GLU 55 7.984 9.937 5.781 428 HB3 GLU 55 2HB GLU 55 7.587 10.229 4.094 429 HG2 GLU 55 1HG GLU 55 6.042 11.836 4.584 430 HG3 GLU 55 2HG GLU 55 5.683 11.162 6.173 431 H GLU 56 H GLU 56 7.894 7.519 6.461 432 HA GLU 56 HA GLU 56 9.334 6.176 4.494 433 HB2 GLU 56 1HB GLU 56 9.820 6.404 7.010 434 HB3 GLU 56 2HB GLU 56 8.788 4.994 7.206 435 HG2 GLU 56 1HG GLU 56 10.281 3.788 5.602 436 HG3 GLU 56 2HG GLU 56 11.367 5.176 5.673 437 H GLU 57 H GLU 57 6.582 4.997 6.424 438 HA GLU 57 HA GLU 57 6.377 2.465 5.289 439 HB2 GLU 57 1HB GLU 57 4.038 4.138 6.205 440 HB3 GLU 57 2HB GLU 57 4.147 2.384 6.171 441 HG2 GLU 57 1HG GLU 57 5.385 4.321 8.067 442 HG3 GLU 57 2HG GLU 57 4.461 2.858 8.400 443 H LYS 58 H LYS 58 4.575 5.411 4.404 444 HA LYS 58 HA LYS 58 3.109 4.441 2.294 445 HB2 LYS 58 1HB LYS 58 4.436 7.152 2.477 446 HB3 LYS 58 2HB LYS 58 3.102 6.740 1.409 447 HG2 LYS 58 1HG LYS 58 1.851 6.108 3.568 448 HG3 LYS 58 2HG LYS 58 3.107 7.044 4.385 449 HD2 LYS 58 1HD LYS 58 2.477 9.031 3.311 450 HD3 LYS 58 2HD LYS 58 1.553 8.173 2.076 451 HE2 LYS 58 1HE LYS 58 -0.001 7.428 3.901 452 HE3 LYS 58 2HE LYS 58 0.857 8.519 4.987 453 HZ1 LYS 58 1HZ LYS 58 0.192 10.380 3.699 454 HZ2 LYS 58 2HZ LYS 58 -1.198 9.456 3.976 455 HZ3 LYS 58 3HZ LYS 58 -0.434 9.403 2.467 456 H GLU 59 H GLU 59 6.416 5.742 2.184 457 HA GLU 59 HA GLU 59 6.828 5.487 -0.566 458 HB2 GLU 59 1HB GLU 59 8.308 6.702 1.058 459 HB3 GLU 59 2HB GLU 59 8.924 5.141 1.581 460 HG2 GLU 59 1HG GLU 59 9.544 4.756 -0.860 461 HG3 GLU 59 2HG GLU 59 9.256 6.482 -1.078 462 H LYS 60 H LYS 60 7.543 3.200 2.059 463 HA LYS 60 HA LYS 60 8.727 1.182 0.580 464 HB2 LYS 60 1HB LYS 60 8.808 0.894 2.893 465 HB3 LYS 60 2HB LYS 60 7.085 1.187 3.088 466 HG2 LYS 60 1HG LYS 60 6.680 -0.987 1.904 467 HG3 LYS 60 2HG LYS 60 8.417 -1.282 2.010 468 HD2 LYS 60 1HD LYS 60 8.065 -0.783 4.545 469 HD3 LYS 60 2HD LYS 60 6.377 -1.155 4.191 470 HE2 LYS 60 1HE LYS 60 7.386 -3.175 4.919 471 HE3 LYS 60 2HE LYS 60 7.177 -3.310 3.174 472 HZ1 LYS 60 1HZ LYS 60 9.702 -2.599 4.567 473 HZ2 LYS 60 2HZ LYS 60 9.505 -2.709 2.891 474 HZ3 LYS 60 3HZ LYS 60 9.352 -4.092 3.852 475 H TYR 61 H TYR 61 5.277 1.477 1.430 476 HA TYR 61 HA TYR 61 4.357 -0.734 0.020 477 HB2 TYR 61 1HB TYR 61 3.106 1.814 0.947 478 HB3 TYR 61 2HB TYR 61 2.196 0.781 -0.151 479 HD1 TYR 61 2HD TYR 61 1.626 -1.546 0.542 480 HD2 TYR 61 1HD TYR 61 3.374 1.241 3.239 481 HE1 TYR 61 2HE TYR 61 0.916 -2.944 2.437 482 HE2 TYR 61 1HE TYR 61 2.670 -0.149 5.142 483 HH TYR 61 HH TYR 61 1.434 -3.338 4.729 484 H ALA 62 H ALA 62 4.872 2.590 -1.064 485 HA ALA 62 HA ALA 62 3.764 2.264 -3.647 486 HB1 ALA 62 1HB ALA 62 4.656 4.388 -2.199 487 HB2 ALA 62 2HB ALA 62 5.926 4.226 -3.412 488 HB3 ALA 62 3HB ALA 62 4.248 4.436 -3.915 489 H GLU 63 H GLU 63 7.029 1.869 -2.359 490 HA GLU 63 HA GLU 63 8.361 1.529 -4.810 491 HB2 GLU 63 1HB GLU 63 9.495 1.942 -2.647 492 HB3 GLU 63 2HB GLU 63 9.059 0.320 -2.129 493 HG2 GLU 63 1HG GLU 63 10.377 -0.604 -3.989 494 HG3 GLU 63 2HG GLU 63 10.857 1.033 -4.435 495 H MET 64 H MET 64 7.020 -0.874 -2.553 496 HA MET 64 HA MET 64 7.687 -3.129 -4.118 497 HB2 MET 64 1HB MET 64 6.251 -4.378 -2.651 498 HB3 MET 64 2HB MET 64 7.115 -3.186 -1.689 499 HG2 MET 64 1HG MET 64 5.224 -1.888 -1.362 500 HG3 MET 64 2HG MET 64 4.382 -2.595 -2.740 501 HE1 MET 64 1HE MET 64 6.272 -4.778 0.112 502 HE2 MET 64 2HE MET 64 5.858 -3.180 0.733 503 HE3 MET 64 3HE MET 64 5.022 -4.608 1.347 504 H ALA 65 H ALA 65 5.021 -0.893 -4.190 505 HA ALA 65 HA ALA 65 3.248 -2.501 -5.731 506 HB1 ALA 65 1HB ALA 65 3.367 0.479 -5.298 507 HB2 ALA 65 2HB ALA 65 2.064 -0.352 -6.149 508 HB3 ALA 65 3HB ALA 65 2.357 -0.687 -4.443 509 H ARG 66 H ARG 66 5.168 0.368 -6.652 510 HA ARG 66 HA ARG 66 4.736 0.183 -9.398 511 HB2 ARG 66 1HB ARG 66 6.778 1.573 -9.624 512 HB3 ARG 66 2HB ARG 66 5.661 2.184 -8.411 513 HG2 ARG 66 1HG ARG 66 7.095 0.941 -6.709 514 HG3 ARG 66 2HG ARG 66 8.287 0.796 -8.003 515 HD2 ARG 66 1HD ARG 66 7.111 3.469 -7.391 516 HD3 ARG 66 2HD ARG 66 8.357 2.816 -6.330 517 HE ARG 66 HE ARG 66 9.328 2.557 -8.898 518 HH11 ARG 66 1HH1 ARG 66 8.298 5.150 -6.816 519 HH12 ARG 66 2HH1 ARG 66 9.366 6.317 -7.523 520 HH21 ARG 66 1HH2 ARG 66 10.738 4.084 -9.838 521 HH22 ARG 66 2HH2 ARG 66 10.752 5.709 -9.243 522 H GLU 67 H GLU 67 7.597 -0.911 -7.565 523 HA GLU 67 HA GLU 67 8.962 -2.117 -9.649 524 HB2 GLU 67 1HB GLU 67 10.317 -3.097 -8.046 525 HB3 GLU 67 2HB GLU 67 9.629 -1.745 -7.159 526 HG2 GLU 67 1HG GLU 67 8.043 -3.192 -6.079 527 HG3 GLU 67 2HG GLU 67 8.572 -4.560 -7.058 528 H TRP 68 H TRP 68 6.474 -3.488 -7.534 529 HA TRP 68 HA TRP 68 6.578 -6.122 -8.484 530 HB2 TRP 68 1HB TRP 68 5.387 -5.627 -6.454 531 HB3 TRP 68 2HB TRP 68 4.292 -4.538 -7.302 532 HD1 TRP 68 HD TRP 68 5.165 -8.318 -7.255 533 HE1 TRP 68 1HE TRP 68 3.018 -9.631 -7.798 534 HE3 TRP 68 3HE TRP 68 2.017 -4.392 -8.160 535 HZ2 TRP 68 2HZ TRP 68 0.346 -9.077 -8.515 536 HZ3 TRP 68 3HZ TRP 68 -0.319 -4.869 -8.769 537 HH2 TRP 68 HH TRP 68 -1.135 -7.164 -8.943 538 H ARG 69 H ARG 69 4.554 -3.386 -9.512 539 HA ARG 69 HA ARG 69 3.113 -4.764 -11.492 540 HB2 ARG 69 1HB ARG 69 3.667 -1.908 -10.867 541 HB3 ARG 69 2HB ARG 69 3.055 -2.281 -12.473 542 HG2 ARG 69 1HG ARG 69 1.118 -3.389 -11.481 543 HG3 ARG 69 2HG ARG 69 1.734 -3.019 -9.870 544 HD2 ARG 69 1HD ARG 69 0.142 -1.350 -10.312 545 HD3 ARG 69 2HD ARG 69 1.703 -0.580 -10.595 546 HE ARG 69 HE ARG 69 1.050 -0.233 -12.745 547 HH11 ARG 69 1HH1 ARG 69 -0.758 -2.923 -11.473 548 HH12 ARG 69 2HH1 ARG 69 -1.719 -3.118 -12.900 549 HH21 ARG 69 1HH2 ARG 69 -0.211 -0.481 -14.629 550 HH22 ARG 69 2HH2 ARG 69 -1.409 -1.729 -14.696 551 H ALA 70 H ALA 70 6.164 -2.982 -11.620 552 HA ALA 70 HA ALA 70 6.527 -3.073 -14.408 553 HB1 ALA 70 1HB ALA 70 9.002 -3.203 -12.878 554 HB2 ALA 70 2HB ALA 70 8.408 -1.952 -13.971 555 HB3 ALA 70 3HB ALA 70 7.884 -1.973 -12.287 556 H ALA 71 H ALA 71 7.655 -5.245 -11.832 557 HA ALA 71 HA ALA 71 9.056 -7.014 -13.535 558 HB1 ALA 71 1HB ALA 71 9.679 -7.961 -11.620 559 HB2 ALA 71 2HB ALA 71 8.725 -6.725 -10.798 560 HB3 ALA 71 3HB ALA 71 8.009 -8.296 -11.160 561 H GLN 72 H GLN 72 5.718 -6.854 -12.463 562 HA GLN 72 HA GLN 72 5.004 -9.441 -13.458 563 HB2 GLN 72 1HB GLN 72 3.398 -7.067 -12.529 564 HB3 GLN 72 2HB GLN 72 2.639 -8.525 -13.153 565 HG2 GLN 72 1HG GLN 72 4.488 -8.404 -10.781 566 HG3 GLN 72 2HG GLN 72 2.729 -8.483 -10.707 567 HE21 GLN 72 1HE2 GLN 72 5.622 -10.234 -10.972 568 HE22 GLN 72 2HE2 GLN 72 4.934 -11.806 -11.173 569 H GLY 73 H GLY 73 5.300 -6.282 -14.815 570 HA2 GLY 73 1HA GLY 73 3.643 -6.915 -17.124 571 HA3 GLY 73 2HA GLY 73 4.479 -5.398 -16.823 572 H LYS 74 H LYS 74 6.933 -5.576 -16.913 573 HA LYS 74 HA LYS 74 7.673 -7.325 -19.167 574 HB2 LYS 74 1HB LYS 74 8.341 -4.473 -18.552 575 HB3 LYS 74 2HB LYS 74 9.488 -5.445 -19.466 576 HG2 LYS 74 1HG LYS 74 7.902 -5.819 -21.204 577 HG3 LYS 74 2HG LYS 74 6.604 -5.098 -20.250 578 HD2 LYS 74 1HD LYS 74 7.826 -2.942 -20.301 579 HD3 LYS 74 2HD LYS 74 9.030 -3.684 -21.356 580 HE2 LYS 74 1HE LYS 74 7.534 -2.518 -22.770 581 HE3 LYS 74 2HE LYS 74 7.140 -4.228 -22.934 582 HZ1 LYS 74 1HZ LYS 74 5.502 -2.085 -22.031 583 HZ2 LYS 74 2HZ LYS 74 5.569 -3.317 -20.874 584 HZ3 LYS 74 3HZ LYS 74 5.063 -3.665 -22.450 585 H ASP 75 H ASP 75 9.815 -8.158 -19.208 586 HA ASP 75 HA ASP 75 11.561 -7.809 -16.954 587 HB2 ASP 75 1HB ASP 75 11.527 -10.200 -16.269 588 HB3 ASP 75 2HB ASP 75 10.011 -9.367 -15.939 589 HA PRO 76 HA PRO 76 14.490 -8.858 -20.063 590 HB2 PRO 76 1HB PRO 76 16.612 -9.465 -18.481 591 HB3 PRO 76 2HB PRO 76 16.048 -7.810 -18.738 592 HG2 PRO 76 1HG PRO 76 15.525 -9.652 -16.438 593 HG3 PRO 76 2HG PRO 76 15.923 -7.924 -16.419 594 HD2 PRO 76 1HD PRO 76 13.393 -8.840 -16.114 595 HD3 PRO 76 2HD PRO 76 13.760 -7.292 -16.903 596 H GLY 77 H GLY 77 13.163 -11.088 -17.920 597 HA2 GLY 77 1HA GLY 77 13.407 -13.298 -19.547 598 HA3 GLY 77 2HA GLY 77 14.809 -13.351 -18.489 599 HA PRO 78 HA PRO 78 12.380 -15.452 -15.501 600 HB2 PRO 78 1HB PRO 78 13.722 -14.780 -13.239 601 HB3 PRO 78 2HB PRO 78 14.355 -15.924 -14.426 602 HG2 PRO 78 1HG PRO 78 15.001 -13.024 -14.059 603 HG3 PRO 78 2HG PRO 78 16.094 -14.382 -14.382 604 HD2 PRO 78 1HD PRO 78 15.280 -12.674 -16.319 605 HD3 PRO 78 2HD PRO 78 15.626 -14.385 -16.639 606 H SER 79 H SER 79 10.819 -15.135 -13.890 607 HA SER 79 HA SER 79 10.306 -12.372 -13.049 608 HB2 SER 79 1HB SER 79 7.904 -12.629 -13.557 609 HB3 SER 79 2HB SER 79 8.892 -12.758 -15.012 610 HG SER 79 HG SER 79 7.953 -14.981 -13.520 611 H GLU 80 H GLU 80 9.907 -12.233 -10.942 612 HA GLU 80 HA GLU 80 10.072 -14.336 -9.172 613 HB2 GLU 80 1HB GLU 80 10.056 -11.729 -8.812 614 HB3 GLU 80 2HB GLU 80 8.351 -11.991 -8.475 615 HG2 GLU 80 1HG GLU 80 10.393 -13.657 -7.086 616 HG3 GLU 80 2HG GLU 80 10.097 -12.006 -6.545 617 H LYS 81 H LYS 81 8.508 -15.386 -7.831 618 HA LYS 81 HA LYS 81 5.934 -15.773 -9.202 619 HB2 LYS 81 1HB LYS 81 7.578 -17.591 -7.447 620 HB3 LYS 81 2HB LYS 81 5.897 -17.933 -7.836 621 HG2 LYS 81 1HG LYS 81 7.733 -17.370 -10.092 622 HG3 LYS 81 2HG LYS 81 7.912 -18.910 -9.250 623 HD2 LYS 81 1HD LYS 81 6.360 -19.529 -10.798 624 HD3 LYS 81 2HD LYS 81 5.270 -18.935 -9.543 625 HE2 LYS 81 1HE LYS 81 4.705 -18.103 -11.805 626 HE3 LYS 81 2HE LYS 81 5.067 -16.812 -10.660 627 HZ1 LYS 81 1HZ LYS 81 6.260 -17.289 -13.130 628 HZ2 LYS 81 2HZ LYS 81 7.439 -17.585 -11.953 629 HZ3 LYS 81 3HZ LYS 81 6.651 -16.088 -12.003 630 H GLN 82 H GLN 82 4.349 -14.646 -8.288 631 HA GLN 82 HA GLN 82 4.220 -13.334 -5.947 632 HB2 GLN 82 1HB GLN 82 2.440 -13.493 -7.762 633 HB3 GLN 82 2HB GLN 82 1.853 -14.924 -6.924 634 HG2 GLN 82 1HG GLN 82 0.501 -13.353 -6.000 635 HG3 GLN 82 2HG GLN 82 1.843 -13.297 -4.858 636 HE21 GLN 82 1HE2 GLN 82 3.140 -11.503 -4.772 637 HE22 GLN 82 2HE2 GLN 82 2.777 -10.034 -5.604 638 H LYS 83 H LYS 83 3.916 -13.725 -3.814 639 HA LYS 83 HA LYS 83 3.482 -16.515 -2.983 640 HB2 LYS 83 1HB LYS 83 5.094 -16.155 -1.137 641 HB3 LYS 83 2HB LYS 83 5.845 -16.059 -2.724 642 HG2 LYS 83 1HG LYS 83 5.748 -13.598 -2.586 643 HG3 LYS 83 2HG LYS 83 5.085 -13.743 -0.956 644 HD2 LYS 83 1HD LYS 83 7.137 -15.032 -0.329 645 HD3 LYS 83 2HD LYS 83 7.799 -14.639 -1.917 646 HE2 LYS 83 1HE LYS 83 6.809 -12.498 -0.064 647 HE3 LYS 83 2HE LYS 83 8.440 -13.151 0.083 648 HZ1 LYS 83 1HZ LYS 83 8.077 -11.085 -1.360 649 HZ2 LYS 83 2HZ LYS 83 7.444 -12.154 -2.509 650 HZ3 LYS 83 3HZ LYS 83 9.043 -12.328 -1.981 651 HA PRO 84 HA PRO 84 0.311 -14.848 -0.423 652 HB2 PRO 84 1HB PRO 84 0.122 -16.861 1.387 653 HB3 PRO 84 2HB PRO 84 -0.484 -16.997 -0.268 654 HG2 PRO 84 1HG PRO 84 2.083 -18.002 0.898 655 HG3 PRO 84 2HG PRO 84 0.967 -18.813 -0.218 656 HD2 PRO 84 1HD PRO 84 3.256 -17.628 -1.050 657 HD3 PRO 84 2HD PRO 84 1.794 -17.695 -2.056 658 H VAL 85 H VAL 85 -0.066 -15.074 2.223 659 HA VAL 85 HA VAL 85 0.469 -13.743 4.044 660 HB VAL 85 HB VAL 85 1.238 -16.046 4.573 661 HG11 VAL 85 1HG1 VAL 85 3.916 -16.048 4.640 662 HG12 VAL 85 2HG1 VAL 85 2.986 -16.682 3.281 663 HG13 VAL 85 3HG1 VAL 85 3.664 -15.055 3.205 664 HG21 VAL 85 1HG2 VAL 85 3.272 -14.452 5.945 665 HG22 VAL 85 2HG2 VAL 85 1.661 -13.733 5.959 666 HG23 VAL 85 3HG2 VAL 85 1.907 -15.357 6.600 667 H PHE 86 H PHE 86 1.222 -12.320 1.817 668 HA PHE 86 HA PHE 86 3.699 -11.502 1.282 669 HB2 PHE 86 1HB PHE 86 1.310 -9.757 1.879 670 HB3 PHE 86 2HB PHE 86 2.815 -9.116 1.228 671 HD1 PHE 86 2HD PHE 86 3.563 -9.762 -1.024 672 HD2 PHE 86 1HD PHE 86 -0.215 -10.970 0.519 673 HE1 PHE 86 2HE PHE 86 2.814 -10.317 -3.302 674 HE2 PHE 86 1HE PHE 86 -0.970 -11.527 -1.755 675 HZ PHE 86 HZ PHE 86 0.544 -11.200 -3.669 676 H THR 87 H THR 87 1.976 -10.702 4.264 677 HA THR 87 HA THR 87 4.345 -9.356 5.318 678 HB THR 87 HB THR 87 2.386 -8.132 5.799 679 HG1 THR 87 1HG THR 87 2.659 -9.589 8.206 680 HG21 THR 87 1HG2 THR 87 0.513 -9.321 7.146 681 HG22 THR 87 2HG2 THR 87 1.210 -10.802 6.487 682 HG23 THR 87 3HG2 THR 87 0.592 -9.558 5.400 683 H SER 88 H SER 88 5.809 -10.470 6.415 684 HA SER 88 HA SER 88 5.465 -13.158 7.201 685 HB2 SER 88 1HB SER 88 7.675 -12.309 6.692 686 HB3 SER 88 2HB SER 88 7.562 -11.125 7.994 687 HG SER 88 HG SER 88 7.928 -12.650 9.443 688 H GLY 89 H GLY 89 6.001 -10.300 9.280 689 HA2 GLY 89 1HA GLY 89 4.537 -9.805 11.131 690 HA3 GLY 89 2HA GLY 89 4.186 -11.522 11.254 691 HA PRO 90 HA PRO 90 7.241 -10.553 14.560 692 HB2 PRO 90 1HB PRO 90 6.077 -12.165 16.408 693 HB3 PRO 90 2HB PRO 90 5.564 -10.497 16.128 694 HG2 PRO 90 1HG PRO 90 4.357 -13.045 15.120 695 HG3 PRO 90 2HG PRO 90 3.550 -11.606 15.771 696 HD2 PRO 90 1HD PRO 90 3.731 -12.099 13.115 697 HD3 PRO 90 2HD PRO 90 3.726 -10.454 13.783 698 H SER 91 H SER 91 9.100 -11.619 14.350 699 HA SER 91 HA SER 91 9.049 -14.500 13.806 700 HB2 SER 91 1HB SER 91 11.405 -14.199 13.107 701 HB3 SER 91 2HB SER 91 10.311 -13.151 12.207 702 HG SER 91 HG SER 91 12.103 -12.475 14.281 703 H SER 92 H SER 92 11.114 -15.632 14.729 704 HA SER 92 HA SER 92 10.865 -15.544 17.573 705 HB2 SER 92 1HB SER 92 12.664 -17.315 17.493 706 HB3 SER 92 2HB SER 92 11.219 -17.685 16.551 707 HG SER 92 HG SER 92 13.784 -16.951 15.671 708 H GLY 93 H GLY 93 13.478 -14.761 15.293 709 HA2 GLY 93 1HA GLY 93 14.454 -12.544 16.590 710 HA3 GLY 93 2HA GLY 93 15.280 -13.901 17.343 Start of MODEL 16 1 H1 GLY 1 H GLY 1 23.302 13.155 -10.699 2 HA2 GLY 1 1HA GLY 1 21.851 13.651 -8.982 3 HA3 GLY 1 2HA GLY 1 21.183 14.923 -9.993 4 H SER 2 H SER 2 20.948 11.568 -9.063 5 HA SER 2 HA SER 2 18.930 10.736 -10.810 6 HB2 SER 2 1HB SER 2 19.887 9.845 -8.125 7 HB3 SER 2 2HB SER 2 18.354 9.207 -8.718 8 HG SER 2 HG SER 2 20.542 9.191 -10.453 9 H SER 3 H SER 3 16.667 10.126 -10.027 10 HA SER 3 HA SER 3 15.415 12.560 -9.036 11 HB2 SER 3 1HB SER 3 14.352 10.073 -10.370 12 HB3 SER 3 2HB SER 3 13.283 11.289 -9.672 13 HG SER 3 HG SER 3 14.433 12.824 -11.051 14 H GLY 4 H GLY 4 15.052 9.063 -8.396 15 HA2 GLY 4 1HA GLY 4 15.255 8.233 -6.122 16 HA3 GLY 4 2HA GLY 4 14.564 9.750 -5.568 17 H SER 5 H SER 5 12.703 9.224 -4.608 18 HA SER 5 HA SER 5 10.897 7.362 -5.997 19 HB2 SER 5 1HB SER 5 9.780 7.125 -3.772 20 HB3 SER 5 2HB SER 5 11.461 6.594 -3.774 21 HG SER 5 HG SER 5 10.287 8.804 -2.544 22 H SER 6 H SER 6 10.702 10.235 -3.888 23 HA SER 6 HA SER 6 8.079 10.930 -4.632 24 HB2 SER 6 1HB SER 6 9.090 11.786 -2.585 25 HB3 SER 6 2HB SER 6 10.299 12.664 -3.522 26 HG SER 6 HG SER 6 8.901 14.225 -3.505 27 H GLY 7 H GLY 7 7.281 11.907 -6.378 28 HA2 GLY 7 1HA GLY 7 9.057 13.563 -8.028 29 HA3 GLY 7 2HA GLY 7 8.223 12.215 -8.787 30 H MET 8 H MET 8 6.323 12.634 -9.694 31 HA MET 8 HA MET 8 4.785 14.945 -8.717 32 HB2 MET 8 1HB MET 8 4.231 15.580 -10.975 33 HB3 MET 8 2HB MET 8 5.981 15.485 -10.830 34 HG2 MET 8 1HG MET 8 5.849 13.193 -11.823 35 HG3 MET 8 2HG MET 8 4.142 13.501 -12.137 36 HE1 MET 8 1HE MET 8 4.123 13.145 -14.528 37 HE2 MET 8 2HE MET 8 3.313 14.704 -14.372 38 HE3 MET 8 3HE MET 8 4.486 14.445 -15.665 39 HA PRO 9 HA PRO 9 1.344 12.218 -8.534 40 HB2 PRO 9 1HB PRO 9 -0.690 13.979 -8.896 41 HB3 PRO 9 2HB PRO 9 0.251 13.890 -7.402 42 HG2 PRO 9 1HG PRO 9 0.514 15.796 -9.696 43 HG3 PRO 9 2HG PRO 9 0.577 16.125 -7.954 44 HD2 PRO 9 1HD PRO 9 2.805 15.929 -9.480 45 HD3 PRO 9 2HD PRO 9 2.769 15.437 -7.774 46 H ASN 10 H ASN 10 0.381 10.882 -9.939 47 HA ASN 10 HA ASN 10 0.416 11.542 -12.761 48 HB2 ASN 10 1HB ASN 10 1.013 9.259 -11.607 49 HB3 ASN 10 2HB ASN 10 -0.727 8.991 -11.681 50 HD21 ASN 10 1HD2 ASN 10 -1.213 7.744 -13.323 51 HD22 ASN 10 2HD2 ASN 10 -0.521 7.818 -14.904 52 H ARG 11 H ARG 11 -1.482 11.102 -14.130 53 HA ARG 11 HA ARG 11 -3.843 12.314 -12.962 54 HB2 ARG 11 1HB ARG 11 -3.116 11.542 -15.787 55 HB3 ARG 11 2HB ARG 11 -4.683 12.208 -15.347 56 HG2 ARG 11 1HG ARG 11 -3.819 14.293 -14.880 57 HG3 ARG 11 2HG ARG 11 -2.190 13.670 -14.606 58 HD2 ARG 11 1HD ARG 11 -2.083 14.786 -16.671 59 HD3 ARG 11 2HD ARG 11 -2.170 13.073 -17.076 60 HE ARG 11 HE ARG 11 -4.746 13.786 -17.176 61 HH11 ARG 11 1HH1 ARG 11 -1.889 15.257 -18.518 62 HH12 ARG 11 2HH1 ARG 11 -2.719 15.931 -19.881 63 HH21 ARG 11 1HH2 ARG 11 -5.849 14.669 -18.967 64 HH22 ARG 11 2HH2 ARG 11 -4.971 15.597 -20.135 65 H LYS 12 H LYS 12 -2.982 9.289 -14.606 66 HA LYS 12 HA LYS 12 -5.565 8.133 -14.414 67 HB2 LYS 12 1HB LYS 12 -2.832 6.924 -14.843 68 HB3 LYS 12 2HB LYS 12 -4.316 5.980 -14.871 69 HG2 LYS 12 1HG LYS 12 -5.103 7.613 -16.675 70 HG3 LYS 12 2HG LYS 12 -3.411 8.106 -16.779 71 HD2 LYS 12 1HD LYS 12 -2.873 5.638 -17.084 72 HD3 LYS 12 2HD LYS 12 -4.605 5.400 -17.330 73 HE2 LYS 12 1HE LYS 12 -3.744 5.647 -19.489 74 HE3 LYS 12 2HE LYS 12 -4.417 7.231 -19.106 75 HZ1 LYS 12 1HZ LYS 12 -2.311 8.133 -18.793 76 HZ2 LYS 12 2HZ LYS 12 -2.109 7.140 -20.147 77 HZ3 LYS 12 3HZ LYS 12 -1.565 6.623 -18.631 78 H ALA 13 H ALA 13 -6.183 6.301 -13.102 79 HA ALA 13 HA ALA 13 -4.948 6.391 -10.429 80 HB1 ALA 13 1HB ALA 13 -7.006 6.898 -9.745 81 HB2 ALA 13 2HB ALA 13 -7.707 6.496 -11.313 82 HB3 ALA 13 3HB ALA 13 -7.438 5.228 -10.117 83 H SER 14 H SER 14 -3.480 4.749 -10.542 84 HA SER 14 HA SER 14 -4.554 2.068 -11.133 85 HB2 SER 14 1HB SER 14 -1.970 3.358 -11.881 86 HB3 SER 14 2HB SER 14 -1.957 1.632 -11.523 87 HG SER 14 HG SER 14 -2.429 2.440 -13.791 88 H ARG 15 H ARG 15 -2.956 0.352 -10.118 89 HA ARG 15 HA ARG 15 -3.316 0.324 -7.401 90 HB2 ARG 15 1HB ARG 15 -1.024 -0.980 -8.880 91 HB3 ARG 15 2HB ARG 15 -1.647 -1.452 -7.305 92 HG2 ARG 15 1HG ARG 15 -3.318 -1.493 -9.802 93 HG3 ARG 15 2HG ARG 15 -2.366 -2.873 -9.251 94 HD2 ARG 15 1HD ARG 15 -4.368 -3.366 -8.269 95 HD3 ARG 15 2HD ARG 15 -3.634 -2.403 -6.987 96 HE ARG 15 HE ARG 15 -5.269 -0.843 -7.297 97 HH11 ARG 15 1HH1 ARG 15 -5.083 -2.843 -10.141 98 HH12 ARG 15 2HH1 ARG 15 -6.468 -2.126 -10.895 99 HH21 ARG 15 1HH2 ARG 15 -7.095 0.108 -8.279 100 HH22 ARG 15 2HH2 ARG 15 -7.611 -0.447 -9.835 101 H ASN 16 H ASN 16 -2.339 1.171 -5.658 102 HA ASN 16 HA ASN 16 0.351 2.264 -5.871 103 HB2 ASN 16 1HB ASN 16 -1.496 4.031 -6.433 104 HB3 ASN 16 2HB ASN 16 -1.759 4.039 -4.691 105 HD21 ASN 16 1HD2 ASN 16 0.478 4.752 -7.259 106 HD22 ASN 16 2HD2 ASN 16 1.544 5.741 -6.324 107 H ALA 17 H ALA 17 1.188 2.966 -3.726 108 HA ALA 17 HA ALA 17 1.261 1.083 -1.838 109 HB1 ALA 17 1HB ALA 17 2.071 2.654 -0.298 110 HB2 ALA 17 2HB ALA 17 2.467 3.328 -1.879 111 HB3 ALA 17 3HB ALA 17 1.088 3.952 -0.975 112 H TYR 18 H TYR 18 -1.313 3.464 -2.160 113 HA TYR 18 HA TYR 18 -2.657 2.911 0.247 114 HB2 TYR 18 1HB TYR 18 -3.102 4.907 -1.126 115 HB3 TYR 18 2HB TYR 18 -3.809 3.888 -2.375 116 HD1 TYR 18 2HD TYR 18 -4.234 3.792 1.330 117 HD2 TYR 18 1HD TYR 18 -6.063 4.452 -2.456 118 HE1 TYR 18 2HE TYR 18 -6.427 3.977 2.428 119 HE2 TYR 18 1HE TYR 18 -8.261 4.640 -1.368 120 HH TYR 18 HH TYR 18 -8.871 3.635 1.727 121 H TYR 19 H TYR 19 -3.075 1.596 -3.023 122 HA TYR 19 HA TYR 19 -5.236 -0.112 -2.371 123 HB2 TYR 19 1HB TYR 19 -4.877 0.465 -4.670 124 HB3 TYR 19 2HB TYR 19 -3.234 -0.164 -4.633 125 HD1 TYR 19 1HD TYR 19 -2.949 -2.688 -4.238 126 HD2 TYR 19 2HD TYR 19 -6.647 -0.899 -5.348 127 HE1 TYR 19 1HE TYR 19 -3.763 -4.872 -5.020 128 HE2 TYR 19 2HE TYR 19 -7.472 -3.080 -6.132 129 HH TYR 19 HH TYR 19 -6.138 -5.948 -5.329 130 H PHE 20 H PHE 20 -1.736 -0.615 -2.533 131 HA PHE 20 HA PHE 20 -1.786 -3.390 -2.017 132 HB2 PHE 20 1HB PHE 20 0.278 -1.247 -1.962 133 HB3 PHE 20 2HB PHE 20 0.642 -2.743 -1.106 134 HD1 PHE 20 2HD PHE 20 -0.689 -1.609 -4.403 135 HD2 PHE 20 1HD PHE 20 1.698 -4.414 -2.268 136 HE1 PHE 20 2HE PHE 20 -0.025 -2.655 -6.528 137 HE2 PHE 20 1HE PHE 20 2.366 -5.464 -4.391 138 HZ PHE 20 HZ PHE 20 1.505 -4.586 -6.524 139 H PHE 21 H PHE 21 -1.554 -0.568 0.092 140 HA PHE 21 HA PHE 21 -1.013 -1.885 2.497 141 HB2 PHE 21 1HB PHE 21 -0.776 0.452 2.536 142 HB3 PHE 21 2HB PHE 21 -2.372 0.717 1.843 143 HD1 PHE 21 1HD PHE 21 -0.739 -0.684 4.882 144 HD2 PHE 21 2HD PHE 21 -4.114 1.312 3.228 145 HE1 PHE 21 1HE PHE 21 -1.662 -0.381 7.142 146 HE2 PHE 21 2HE PHE 21 -5.043 1.619 5.485 147 HZ PHE 21 HZ PHE 21 -3.817 0.773 7.447 148 H VAL 22 H VAL 22 -4.079 -1.184 0.890 149 HA VAL 22 HA VAL 22 -5.745 -2.112 2.992 150 HB VAL 22 HB VAL 22 -6.262 -1.739 0.045 151 HG11 VAL 22 1HG1 VAL 22 -8.722 -1.830 0.923 152 HG12 VAL 22 2HG1 VAL 22 -7.868 -3.320 0.519 153 HG13 VAL 22 3HG1 VAL 22 -8.019 -2.818 2.203 154 HG21 VAL 22 1HG2 VAL 22 -7.808 0.063 1.186 155 HG22 VAL 22 2HG2 VAL 22 -6.649 -0.104 2.504 156 HG23 VAL 22 3HG2 VAL 22 -6.097 0.380 0.901 157 H GLN 23 H GLN 23 -4.341 -3.647 0.142 158 HA GLN 23 HA GLN 23 -5.720 -6.038 0.110 159 HB2 GLN 23 1HB GLN 23 -3.915 -5.188 -1.497 160 HB3 GLN 23 2HB GLN 23 -2.752 -5.878 -0.374 161 HG2 GLN 23 1HG GLN 23 -4.156 -8.040 -0.648 162 HG3 GLN 23 2HG GLN 23 -4.746 -7.256 -2.113 163 HE21 GLN 23 1HE2 GLN 23 -3.567 -7.416 -3.896 164 HE22 GLN 23 2HE2 GLN 23 -1.945 -8.004 -3.978 165 H GLU 24 H GLU 24 -2.830 -5.201 1.998 166 HA GLU 24 HA GLU 24 -2.749 -7.759 3.302 167 HB2 GLU 24 1HB GLU 24 -1.223 -5.195 3.565 168 HB3 GLU 24 2HB GLU 24 -1.089 -6.419 4.819 169 HG2 GLU 24 1HG GLU 24 -0.404 -6.725 1.907 170 HG3 GLU 24 2HG GLU 24 0.716 -6.675 3.267 171 H LYS 25 H LYS 25 -4.963 -5.480 3.549 172 HA LYS 25 HA LYS 25 -5.283 -5.804 6.461 173 HB2 LYS 25 1HB LYS 25 -6.019 -3.479 4.684 174 HB3 LYS 25 2HB LYS 25 -6.654 -3.670 6.313 175 HG2 LYS 25 1HG LYS 25 -3.704 -3.704 5.833 176 HG3 LYS 25 2HG LYS 25 -4.584 -2.175 5.920 177 HD2 LYS 25 1HD LYS 25 -5.505 -2.960 8.130 178 HD3 LYS 25 2HD LYS 25 -4.363 -4.302 8.044 179 HE2 LYS 25 1HE LYS 25 -2.536 -2.595 7.802 180 HE3 LYS 25 2HE LYS 25 -3.739 -1.356 8.157 181 HZ1 LYS 25 1HZ LYS 25 -4.077 -3.144 10.165 182 HZ2 LYS 25 2HZ LYS 25 -3.190 -1.708 10.273 183 HZ3 LYS 25 3HZ LYS 25 -2.400 -3.167 9.939 184 H ILE 26 H ILE 26 -6.683 -6.128 3.325 185 HA ILE 26 HA ILE 26 -9.378 -6.169 3.728 186 HB ILE 26 HB ILE 26 -7.575 -7.724 1.959 187 HG12 ILE 26 1HG1 ILE 26 -10.130 -6.281 1.279 188 HG13 ILE 26 2HG1 ILE 26 -8.622 -5.411 1.540 189 HG21 ILE 26 1HG2 ILE 26 -10.314 -8.600 2.726 190 HG22 ILE 26 2HG2 ILE 26 -9.805 -8.777 1.048 191 HG23 ILE 26 3HG2 ILE 26 -8.890 -9.562 2.334 192 HD11 ILE 26 1HD1 ILE 26 -8.444 -5.670 -0.686 193 HD12 ILE 26 2HD1 ILE 26 -7.787 -7.241 -0.228 194 HD13 ILE 26 3HD1 ILE 26 -9.476 -7.099 -0.715 195 HA PRO 27 HA PRO 27 -9.223 -10.731 5.322 196 HB2 PRO 27 1HB PRO 27 -6.785 -11.742 5.958 197 HB3 PRO 27 2HB PRO 27 -7.490 -11.879 4.343 198 HG2 PRO 27 1HG PRO 27 -5.454 -9.935 5.363 199 HG3 PRO 27 2HG PRO 27 -5.489 -10.813 3.823 200 HD2 PRO 27 1HD PRO 27 -6.247 -8.223 4.040 201 HD3 PRO 27 2HD PRO 27 -6.982 -9.338 2.870 202 H GLU 28 H GLU 28 -7.079 -8.292 6.583 203 HA GLU 28 HA GLU 28 -6.980 -9.245 9.261 204 HB2 GLU 28 1HB GLU 28 -5.280 -7.726 8.499 205 HB3 GLU 28 2HB GLU 28 -6.480 -6.516 8.071 206 HG2 GLU 28 1HG GLU 28 -5.540 -5.765 10.072 207 HG3 GLU 28 2HG GLU 28 -7.093 -6.462 10.529 208 H LEU 29 H LEU 29 -9.174 -7.189 7.473 209 HA LEU 29 HA LEU 29 -10.592 -6.291 9.814 210 HB2 LEU 29 1HB LEU 29 -11.323 -6.127 6.893 211 HB3 LEU 29 2HB LEU 29 -12.161 -5.302 8.207 212 HG LEU 29 HG LEU 29 -9.258 -4.800 7.609 213 HD11 LEU 29 1HD1 LEU 29 -10.922 -2.695 6.659 214 HD12 LEU 29 2HD1 LEU 29 -11.429 -4.205 5.902 215 HD13 LEU 29 3HD1 LEU 29 -9.754 -3.672 5.770 216 HD21 LEU 29 1HD2 LEU 29 -10.290 -4.119 9.800 217 HD22 LEU 29 2HD2 LEU 29 -11.330 -3.027 8.886 218 HD23 LEU 29 3HD2 LEU 29 -9.579 -2.808 8.858 219 H ARG 30 H ARG 30 -11.222 -8.572 7.165 220 HA ARG 30 HA ARG 30 -13.756 -9.389 7.660 221 HB2 ARG 30 1HB ARG 30 -11.317 -10.814 6.725 222 HB3 ARG 30 2HB ARG 30 -12.712 -11.796 7.151 223 HG2 ARG 30 1HG ARG 30 -14.072 -10.689 5.524 224 HG3 ARG 30 2HG ARG 30 -12.799 -9.511 5.196 225 HD2 ARG 30 1HD ARG 30 -11.540 -11.001 3.993 226 HD3 ARG 30 2HD ARG 30 -12.178 -12.400 4.858 227 HE ARG 30 HE ARG 30 -14.171 -11.116 3.271 228 HH11 ARG 30 1HH1 ARG 30 -11.481 -13.323 3.153 229 HH12 ARG 30 2HH1 ARG 30 -12.052 -14.149 1.742 230 HH21 ARG 30 1HH2 ARG 30 -14.934 -12.196 1.412 231 HH22 ARG 30 2HH2 ARG 30 -14.016 -13.507 0.751 232 H ARG 31 H ARG 31 -10.955 -10.002 9.640 233 HA ARG 31 HA ARG 31 -12.237 -11.993 11.275 234 HB2 ARG 31 1HB ARG 31 -9.655 -10.457 11.552 235 HB3 ARG 31 2HB ARG 31 -10.207 -11.623 12.748 236 HG2 ARG 31 1HG ARG 31 -10.019 -12.463 9.899 237 HG3 ARG 31 2HG ARG 31 -8.542 -12.318 10.854 238 HD2 ARG 31 1HD ARG 31 -10.952 -14.004 11.526 239 HD3 ARG 31 2HD ARG 31 -9.399 -14.594 10.933 240 HE ARG 31 HE ARG 31 -8.967 -13.114 13.275 241 HH11 ARG 31 1HH1 ARG 31 -10.416 -16.105 12.235 242 HH12 ARG 31 2HH1 ARG 31 -10.131 -16.916 13.739 243 HH21 ARG 31 1HH2 ARG 31 -8.587 -14.172 15.258 244 HH22 ARG 31 2HH2 ARG 31 -9.092 -15.816 15.458 245 H ARG 32 H ARG 32 -11.679 -8.530 11.417 246 HA ARG 32 HA ARG 32 -12.409 -8.139 14.114 247 HB2 ARG 32 1HB ARG 32 -12.276 -6.358 11.703 248 HB3 ARG 32 2HB ARG 32 -12.964 -5.760 13.205 249 HG2 ARG 32 1HG ARG 32 -10.712 -6.705 14.205 250 HG3 ARG 32 2HG ARG 32 -10.157 -6.460 12.547 251 HD2 ARG 32 1HD ARG 32 -9.670 -4.473 13.766 252 HD3 ARG 32 2HD ARG 32 -11.025 -4.119 12.695 253 HE ARG 32 HE ARG 32 -11.822 -4.926 15.335 254 HH11 ARG 32 1HH1 ARG 32 -10.851 -2.250 13.332 255 HH12 ARG 32 2HH1 ARG 32 -11.631 -1.058 14.320 256 HH21 ARG 32 1HH2 ARG 32 -12.853 -3.367 16.644 257 HH22 ARG 32 2HH2 ARG 32 -12.768 -1.695 16.203 258 H GLY 33 H GLY 33 -14.275 -8.152 11.111 259 HA2 GLY 33 1HA GLY 33 -16.557 -9.104 11.349 260 HA3 GLY 33 2HA GLY 33 -16.732 -8.063 12.753 261 H LEU 34 H LEU 34 -15.368 -7.331 9.561 262 HA LEU 34 HA LEU 34 -17.530 -5.365 9.188 263 HB2 LEU 34 1HB LEU 34 -14.614 -5.074 8.483 264 HB3 LEU 34 2HB LEU 34 -15.878 -3.931 8.034 265 HG LEU 34 HG LEU 34 -15.142 -4.588 10.883 266 HD11 LEU 34 1HD1 LEU 34 -14.347 -2.131 9.343 267 HD12 LEU 34 2HD1 LEU 34 -13.291 -3.530 9.539 268 HD13 LEU 34 3HD1 LEU 34 -13.827 -2.626 10.955 269 HD21 LEU 34 1HD2 LEU 34 -16.394 -2.565 11.396 270 HD22 LEU 34 2HD2 LEU 34 -17.413 -3.730 10.547 271 HD23 LEU 34 3HD2 LEU 34 -16.756 -2.339 9.685 272 HA PRO 35 HA PRO 35 -18.266 -7.420 5.358 273 HB2 PRO 35 1HB PRO 35 -19.674 -5.457 4.118 274 HB3 PRO 35 2HB PRO 35 -20.347 -6.448 5.418 275 HG2 PRO 35 1HG PRO 35 -19.199 -3.686 5.542 276 HG3 PRO 35 2HG PRO 35 -20.656 -4.328 6.323 277 HD2 PRO 35 1HD PRO 35 -18.313 -4.019 7.644 278 HD3 PRO 35 2HD PRO 35 -19.461 -5.317 8.028 279 H VAL 36 H VAL 36 -16.109 -7.507 4.578 280 HA VAL 36 HA VAL 36 -15.549 -5.503 2.507 281 HB VAL 36 HB VAL 36 -13.081 -5.770 3.087 282 HG11 VAL 36 1HG1 VAL 36 -15.060 -4.272 4.763 283 HG12 VAL 36 2HG1 VAL 36 -13.328 -4.134 5.066 284 HG13 VAL 36 3HG1 VAL 36 -13.990 -3.669 3.499 285 HG21 VAL 36 1HG2 VAL 36 -12.475 -6.463 5.278 286 HG22 VAL 36 2HG2 VAL 36 -14.161 -6.591 5.776 287 HG23 VAL 36 3HG2 VAL 36 -13.499 -7.732 4.605 288 H ALA 37 H ALA 37 -15.386 -6.487 0.613 289 HA ALA 37 HA ALA 37 -14.562 -9.308 0.545 290 HB1 ALA 37 1HB ALA 37 -15.614 -8.314 -1.952 291 HB2 ALA 37 2HB ALA 37 -16.175 -9.652 -0.947 292 HB3 ALA 37 3HB ALA 37 -16.732 -8.011 -0.622 293 H ARG 38 H ARG 38 -13.950 -6.144 -0.884 294 HA ARG 38 HA ARG 38 -11.357 -7.140 -1.820 295 HB2 ARG 38 1HB ARG 38 -11.581 -5.975 -3.943 296 HB3 ARG 38 2HB ARG 38 -12.887 -7.137 -3.753 297 HG2 ARG 38 1HG ARG 38 -14.465 -5.441 -3.309 298 HG3 ARG 38 2HG ARG 38 -13.205 -4.227 -3.089 299 HD2 ARG 38 1HD ARG 38 -14.342 -4.008 -5.257 300 HD3 ARG 38 2HD ARG 38 -12.623 -4.360 -5.436 301 HE ARG 38 HE ARG 38 -13.809 -6.805 -5.532 302 HH11 ARG 38 1HH1 ARG 38 -14.238 -3.822 -7.273 303 HH12 ARG 38 2HH1 ARG 38 -14.754 -4.597 -8.734 304 HH21 ARG 38 1HH2 ARG 38 -14.487 -7.838 -7.449 305 HH22 ARG 38 2HH2 ARG 38 -14.897 -6.881 -8.833 306 H VAL 39 H VAL 39 -10.179 -5.007 -2.805 307 HA VAL 39 HA VAL 39 -9.525 -3.432 -0.593 308 HB VAL 39 HB VAL 39 -9.099 -2.851 -3.527 309 HG11 VAL 39 1HG1 VAL 39 -8.920 -0.791 -2.307 310 HG12 VAL 39 2HG1 VAL 39 -7.905 -1.553 -1.082 311 HG13 VAL 39 3HG1 VAL 39 -7.297 -1.340 -2.724 312 HG21 VAL 39 1HG2 VAL 39 -8.097 -4.953 -2.573 313 HG22 VAL 39 2HG2 VAL 39 -6.940 -3.812 -3.260 314 HG23 VAL 39 3HG2 VAL 39 -7.136 -3.923 -1.511 315 H ALA 40 H ALA 40 -11.576 -2.675 -3.395 316 HA ALA 40 HA ALA 40 -12.187 -0.048 -2.888 317 HB1 ALA 40 1HB ALA 40 -12.960 -1.669 -4.783 318 HB2 ALA 40 2HB ALA 40 -14.377 -1.879 -3.754 319 HB3 ALA 40 3HB ALA 40 -13.949 -0.274 -4.349 320 H ASP 41 H ASP 41 -13.176 -2.851 -1.118 321 HA ASP 41 HA ASP 41 -15.313 -1.482 0.279 322 HB2 ASP 41 1HB ASP 41 -14.177 -4.250 0.317 323 HB3 ASP 41 2HB ASP 41 -15.141 -3.703 1.685 324 H ALA 42 H ALA 42 -12.016 -2.566 0.920 325 HA ALA 42 HA ALA 42 -12.101 -1.574 3.646 326 HB1 ALA 42 1HB ALA 42 -10.117 -3.080 2.006 327 HB2 ALA 42 2HB ALA 42 -9.577 -2.232 3.456 328 HB3 ALA 42 3HB ALA 42 -10.818 -3.480 3.574 329 H ILE 43 H ILE 43 -12.096 0.041 0.939 330 HA ILE 43 HA ILE 43 -9.774 1.667 1.038 331 HB ILE 43 HB ILE 43 -12.377 1.778 -0.382 332 HG12 ILE 43 1HG1 ILE 43 -9.483 2.135 -1.185 333 HG13 ILE 43 2HG1 ILE 43 -10.468 0.696 -1.418 334 HG21 ILE 43 1HG2 ILE 43 -12.502 3.995 0.223 335 HG22 ILE 43 2HG2 ILE 43 -10.751 4.181 0.310 336 HG23 ILE 43 3HG2 ILE 43 -11.551 4.095 -1.259 337 HD11 ILE 43 1HD1 ILE 43 -10.378 3.203 -2.955 338 HD12 ILE 43 2HD1 ILE 43 -10.677 1.548 -3.487 339 HD13 ILE 43 3HD1 ILE 43 -11.970 2.478 -2.731 340 HA PRO 44 HA PRO 44 -12.612 4.873 3.284 341 HB2 PRO 44 1HB PRO 44 -15.009 3.985 4.196 342 HB3 PRO 44 2HB PRO 44 -14.789 4.668 2.580 343 HG2 PRO 44 1HG PRO 44 -14.927 1.797 3.420 344 HG3 PRO 44 2HG PRO 44 -15.680 2.593 2.025 345 HD2 PRO 44 1HD PRO 44 -13.411 1.129 1.820 346 HD3 PRO 44 2HD PRO 44 -13.736 2.535 0.786 347 H TYR 45 H TYR 45 -13.102 1.549 4.447 348 HA TYR 45 HA TYR 45 -13.096 2.158 7.194 349 HB2 TYR 45 1HB TYR 45 -12.282 -0.413 5.823 350 HB3 TYR 45 2HB TYR 45 -12.672 -0.241 7.532 351 HD1 TYR 45 2HD TYR 45 -15.074 1.260 7.666 352 HD2 TYR 45 1HD TYR 45 -13.927 -1.593 4.725 353 HE1 TYR 45 2HE TYR 45 -17.444 0.826 7.171 354 HE2 TYR 45 1HE TYR 45 -16.293 -2.034 4.221 355 HH TYR 45 HH TYR 45 -18.529 -1.803 5.536 356 H CYS 46 H CYS 46 -10.630 2.392 4.957 357 HA CYS 46 HA CYS 46 -8.590 2.226 7.075 358 HB2 CYS 46 1HB CYS 46 -7.023 1.336 5.592 359 HB3 CYS 46 2HB CYS 46 -8.507 0.510 5.135 360 HG CYS 46 HG CYS 46 -8.594 1.311 2.686 361 H SER 47 H SER 47 -10.076 4.100 4.620 362 HA SER 47 HA SER 47 -8.339 5.920 3.719 363 HB2 SER 47 1HB SER 47 -10.655 6.216 3.222 364 HB3 SER 47 2HB SER 47 -11.060 6.442 4.924 365 HG SER 47 HG SER 47 -10.737 8.481 4.598 366 H SER 48 H SER 48 -9.387 5.639 7.052 367 HA SER 48 HA SER 48 -7.955 8.030 7.856 368 HB2 SER 48 1HB SER 48 -8.765 7.491 10.117 369 HB3 SER 48 2HB SER 48 -10.086 7.479 8.948 370 HG SER 48 HG SER 48 -10.150 5.661 10.339 371 H ASP 49 H ASP 49 -7.654 4.526 8.188 372 HA ASP 49 HA ASP 49 -5.452 4.472 9.919 373 HB2 ASP 49 1HB ASP 49 -6.999 2.553 9.002 374 HB3 ASP 49 2HB ASP 49 -5.751 2.413 7.766 375 H TRP 50 H TRP 50 -5.615 4.594 6.384 376 HA TRP 50 HA TRP 50 -2.898 4.309 5.831 377 HB2 TRP 50 1HB TRP 50 -4.544 4.206 4.061 378 HB3 TRP 50 2HB TRP 50 -5.021 5.876 4.354 379 HD1 TRP 50 HD TRP 50 -3.915 7.609 2.829 380 HE1 TRP 50 1HE TRP 50 -1.857 7.658 1.285 381 HE3 TRP 50 3HE TRP 50 -1.972 3.009 3.921 382 HZ2 TRP 50 2HZ TRP 50 0.304 5.969 0.618 383 HZ3 TRP 50 3HZ TRP 50 0.093 2.301 2.787 384 HH2 TRP 50 HH TRP 50 1.206 3.752 1.169 385 H ALA 51 H ALA 51 -4.770 7.181 6.670 386 HA ALA 51 HA ALA 51 -2.701 9.061 6.223 387 HB1 ALA 51 1HB ALA 51 -4.348 10.123 8.205 388 HB2 ALA 51 2HB ALA 51 -4.481 10.371 6.463 389 HB3 ALA 51 3HB ALA 51 -5.397 9.081 7.243 390 H LEU 52 H LEU 52 -3.294 6.809 8.744 391 HA LEU 52 HA LEU 52 -1.818 8.201 10.779 392 HB2 LEU 52 1HB LEU 52 -2.746 5.342 10.575 393 HB3 LEU 52 2HB LEU 52 -1.972 6.039 11.996 394 HG LEU 52 HG LEU 52 -4.590 7.004 10.852 395 HD11 LEU 52 1HD1 LEU 52 -4.498 5.546 13.417 396 HD12 LEU 52 2HD1 LEU 52 -4.296 4.581 11.955 397 HD13 LEU 52 3HD1 LEU 52 -5.740 5.571 12.165 398 HD21 LEU 52 1HD2 LEU 52 -2.894 7.750 13.182 399 HD22 LEU 52 2HD2 LEU 52 -4.647 7.834 13.350 400 HD23 LEU 52 3HD2 LEU 52 -3.836 8.771 12.095 401 H LEU 53 H LEU 53 -1.097 5.956 8.233 402 HA LEU 53 HA LEU 53 1.301 4.866 9.146 403 HB2 LEU 53 1HB LEU 53 0.174 5.432 6.438 404 HB3 LEU 53 2HB LEU 53 1.837 4.868 6.590 405 HG LEU 53 HG LEU 53 -0.399 3.332 7.857 406 HD11 LEU 53 1HD1 LEU 53 -1.332 3.054 5.846 407 HD12 LEU 53 2HD1 LEU 53 0.060 2.030 5.500 408 HD13 LEU 53 3HD1 LEU 53 0.065 3.721 4.999 409 HD21 LEU 53 1HD2 LEU 53 1.740 1.859 6.601 410 HD22 LEU 53 2HD2 LEU 53 1.202 1.849 8.282 411 HD23 LEU 53 3HD2 LEU 53 2.371 3.053 7.737 412 H ARG 54 H ARG 54 3.503 5.370 8.422 413 HA ARG 54 HA ARG 54 3.961 8.267 8.488 414 HB2 ARG 54 1HB ARG 54 6.014 6.102 8.935 415 HB3 ARG 54 2HB ARG 54 6.127 7.804 9.366 416 HG2 ARG 54 1HG ARG 54 4.128 7.345 10.904 417 HG3 ARG 54 2HG ARG 54 4.523 5.640 10.670 418 HD2 ARG 54 1HD ARG 54 6.721 5.963 11.572 419 HD3 ARG 54 2HD ARG 54 6.492 7.711 11.626 420 HE ARG 54 HE ARG 54 4.486 6.640 13.180 421 HH11 ARG 54 1HH1 ARG 54 7.968 6.616 13.165 422 HH12 ARG 54 2HH1 ARG 54 8.103 6.467 14.886 423 HH21 ARG 54 1HH2 ARG 54 4.652 6.442 15.446 424 HH22 ARG 54 2HH2 ARG 54 6.217 6.367 16.183 425 H GLU 55 H GLU 55 5.549 9.223 7.117 426 HA GLU 55 HA GLU 55 5.350 8.791 4.459 427 HB2 GLU 55 1HB GLU 55 7.736 9.785 6.012 428 HB3 GLU 55 2HB GLU 55 7.665 9.822 4.257 429 HG2 GLU 55 1HG GLU 55 6.974 11.939 4.793 430 HG3 GLU 55 2HG GLU 55 5.433 11.096 4.638 431 H GLU 56 H GLU 56 7.805 7.321 6.566 432 HA GLU 56 HA GLU 56 9.241 5.919 4.657 433 HB2 GLU 56 1HB GLU 56 8.610 4.849 7.405 434 HB3 GLU 56 2HB GLU 56 10.038 4.533 6.430 435 HG2 GLU 56 1HG GLU 56 10.899 6.053 7.874 436 HG3 GLU 56 2HG GLU 56 10.322 7.145 6.616 437 H GLU 57 H GLU 57 6.413 4.816 6.515 438 HA GLU 57 HA GLU 57 6.218 2.267 5.384 439 HB2 GLU 57 1HB GLU 57 3.861 3.921 6.275 440 HB3 GLU 57 2HB GLU 57 4.016 2.171 6.288 441 HG2 GLU 57 1HG GLU 57 5.492 4.125 8.036 442 HG3 GLU 57 2HG GLU 57 4.210 3.019 8.526 443 H LYS 58 H LYS 58 4.493 5.254 4.494 444 HA LYS 58 HA LYS 58 3.011 4.296 2.374 445 HB2 LYS 58 1HB LYS 58 4.351 7.002 2.421 446 HB3 LYS 58 2HB LYS 58 2.866 6.561 1.588 447 HG2 LYS 58 1HG LYS 58 2.008 5.994 3.975 448 HG3 LYS 58 2HG LYS 58 3.336 7.034 4.496 449 HD2 LYS 58 1HD LYS 58 2.443 8.908 3.400 450 HD3 LYS 58 2HD LYS 58 1.354 7.922 2.420 451 HE2 LYS 58 1HE LYS 58 -0.125 8.709 3.972 452 HE3 LYS 58 2HE LYS 58 0.406 7.239 4.786 453 HZ1 LYS 58 1HZ LYS 58 0.953 8.535 6.485 454 HZ2 LYS 58 2HZ LYS 58 0.708 9.951 5.593 455 HZ3 LYS 58 3HZ LYS 58 2.207 9.167 5.541 456 H GLU 59 H GLU 59 6.327 5.574 2.308 457 HA GLU 59 HA GLU 59 6.758 5.354 -0.443 458 HB2 GLU 59 1HB GLU 59 8.211 6.400 1.486 459 HB3 GLU 59 2HB GLU 59 8.983 4.821 1.482 460 HG2 GLU 59 1HG GLU 59 9.427 5.111 -0.946 461 HG3 GLU 59 2HG GLU 59 8.796 6.753 -0.815 462 H LYS 60 H LYS 60 7.625 3.061 2.143 463 HA LYS 60 HA LYS 60 8.739 1.054 0.634 464 HB2 LYS 60 1HB LYS 60 8.846 0.760 2.951 465 HB3 LYS 60 2HB LYS 60 7.118 1.012 3.159 466 HG2 LYS 60 1HG LYS 60 6.750 -1.157 1.963 467 HG3 LYS 60 2HG LYS 60 8.495 -1.414 2.037 468 HD2 LYS 60 1HD LYS 60 7.779 -2.538 3.921 469 HD3 LYS 60 2HD LYS 60 8.170 -0.950 4.585 470 HE2 LYS 60 1HE LYS 60 5.817 -0.311 4.450 471 HE3 LYS 60 2HE LYS 60 5.422 -1.885 3.763 472 HZ1 LYS 60 1HZ LYS 60 5.440 -2.834 5.764 473 HZ2 LYS 60 2HZ LYS 60 5.369 -1.266 6.396 474 HZ3 LYS 60 3HZ LYS 60 6.860 -2.050 6.245 475 H TYR 61 H TYR 61 5.300 1.306 1.545 476 HA TYR 61 HA TYR 61 4.374 -0.891 0.122 477 HB2 TYR 61 1HB TYR 61 3.122 1.636 1.102 478 HB3 TYR 61 2HB TYR 61 2.203 0.622 -0.004 479 HD1 TYR 61 2HD TYR 61 1.721 -1.761 0.649 480 HD2 TYR 61 1HD TYR 61 3.343 1.065 3.384 481 HE1 TYR 61 2HE TYR 61 1.035 -3.193 2.527 482 HE2 TYR 61 1HE TYR 61 2.664 -0.360 5.269 483 HH TYR 61 HH TYR 61 0.882 -2.157 5.670 484 H ALA 62 H ALA 62 4.793 2.462 -0.931 485 HA ALA 62 HA ALA 62 3.670 2.145 -3.501 486 HB1 ALA 62 1HB ALA 62 4.798 4.238 -2.007 487 HB2 ALA 62 2HB ALA 62 5.725 4.141 -3.506 488 HB3 ALA 62 3HB ALA 62 3.973 4.341 -3.563 489 H GLU 63 H GLU 63 6.945 1.740 -2.257 490 HA GLU 63 HA GLU 63 8.257 1.460 -4.728 491 HB2 GLU 63 1HB GLU 63 9.284 1.782 -2.407 492 HB3 GLU 63 2HB GLU 63 9.076 0.050 -2.195 493 HG2 GLU 63 1HG GLU 63 10.494 -0.371 -4.128 494 HG3 GLU 63 2HG GLU 63 10.687 1.364 -4.372 495 H MET 64 H MET 64 6.958 -0.995 -2.504 496 HA MET 64 HA MET 64 7.627 -3.224 -4.087 497 HB2 MET 64 1HB MET 64 6.112 -4.478 -2.679 498 HB3 MET 64 2HB MET 64 7.026 -3.349 -1.688 499 HG2 MET 64 1HG MET 64 5.183 -1.948 -1.378 500 HG3 MET 64 2HG MET 64 4.295 -2.677 -2.713 501 HE1 MET 64 1HE MET 64 5.937 -5.335 0.119 502 HE2 MET 64 2HE MET 64 6.279 -3.612 0.279 503 HE3 MET 64 3HE MET 64 5.153 -4.395 1.390 504 H ALA 65 H ALA 65 4.833 -1.097 -4.052 505 HA ALA 65 HA ALA 65 3.136 -2.648 -5.682 506 HB1 ALA 65 1HB ALA 65 2.170 -0.877 -4.442 507 HB2 ALA 65 2HB ALA 65 3.261 0.312 -5.155 508 HB3 ALA 65 3HB ALA 65 2.009 -0.440 -6.144 509 H ARG 66 H ARG 66 5.061 0.228 -6.572 510 HA ARG 66 HA ARG 66 4.662 0.080 -9.316 511 HB2 ARG 66 1HB ARG 66 6.782 1.394 -9.496 512 HB3 ARG 66 2HB ARG 66 5.622 2.052 -8.348 513 HG2 ARG 66 1HG ARG 66 6.957 0.729 -6.583 514 HG3 ARG 66 2HG ARG 66 8.215 0.664 -7.820 515 HD2 ARG 66 1HD ARG 66 7.753 3.243 -7.970 516 HD3 ARG 66 2HD ARG 66 7.116 3.009 -6.342 517 HE ARG 66 HE ARG 66 9.507 1.822 -6.167 518 HH11 ARG 66 1HH1 ARG 66 8.551 4.911 -7.459 519 HH12 ARG 66 2HH1 ARG 66 10.057 5.680 -7.082 520 HH21 ARG 66 1HH2 ARG 66 11.494 2.824 -5.667 521 HH22 ARG 66 2HH2 ARG 66 11.731 4.492 -6.065 522 H GLU 67 H GLU 67 7.513 -1.079 -7.504 523 HA GLU 67 HA GLU 67 8.874 -2.283 -9.569 524 HB2 GLU 67 1HB GLU 67 8.653 -3.170 -6.690 525 HB3 GLU 67 2HB GLU 67 9.832 -3.804 -7.828 526 HG2 GLU 67 1HG GLU 67 9.645 -0.869 -7.291 527 HG3 GLU 67 2HG GLU 67 10.541 -1.937 -6.213 528 H TRP 68 H TRP 68 6.127 -3.500 -7.753 529 HA TRP 68 HA TRP 68 6.217 -6.160 -8.711 530 HB2 TRP 68 1HB TRP 68 4.931 -5.663 -6.740 531 HB3 TRP 68 2HB TRP 68 3.941 -4.500 -7.617 532 HD1 TRP 68 HD TRP 68 4.607 -8.316 -7.563 533 HE1 TRP 68 1HE TRP 68 2.447 -9.510 -8.293 534 HE3 TRP 68 3HE TRP 68 1.763 -4.223 -8.695 535 HZ2 TRP 68 2HZ TRP 68 -0.123 -8.808 -9.226 536 HZ3 TRP 68 3HZ TRP 68 -0.536 -4.571 -9.501 537 HH2 TRP 68 HH TRP 68 -1.457 -6.817 -9.762 538 H ARG 69 H ARG 69 4.349 -3.322 -9.763 539 HA ARG 69 HA ARG 69 2.980 -4.577 -11.865 540 HB2 ARG 69 1HB ARG 69 3.704 -1.729 -11.261 541 HB3 ARG 69 2HB ARG 69 2.945 -2.139 -12.793 542 HG2 ARG 69 1HG ARG 69 1.030 -3.060 -11.636 543 HG3 ARG 69 2HG ARG 69 1.801 -2.756 -10.077 544 HD2 ARG 69 1HD ARG 69 0.461 -0.908 -10.233 545 HD3 ARG 69 2HD ARG 69 1.927 -0.295 -10.996 546 HE ARG 69 HE ARG 69 -0.606 -0.859 -12.277 547 HH11 ARG 69 1HH1 ARG 69 2.798 -0.248 -12.680 548 HH12 ARG 69 2HH1 ARG 69 2.643 0.268 -14.328 549 HH21 ARG 69 1HH2 ARG 69 -0.822 -0.183 -14.445 550 HH22 ARG 69 2HH2 ARG 69 0.584 0.305 -15.331 551 H ALA 70 H ALA 70 6.135 -3.011 -11.737 552 HA ALA 70 HA ALA 70 6.643 -3.036 -14.520 553 HB1 ALA 70 1HB ALA 70 9.123 -3.176 -13.310 554 HB2 ALA 70 2HB ALA 70 8.235 -1.704 -13.709 555 HB3 ALA 70 3HB ALA 70 8.106 -2.402 -12.094 556 H ALA 71 H ALA 71 7.474 -5.299 -11.916 557 HA ALA 71 HA ALA 71 8.923 -7.096 -13.569 558 HB1 ALA 71 1HB ALA 71 7.610 -8.167 -11.153 559 HB2 ALA 71 2HB ALA 71 9.288 -8.282 -11.681 560 HB3 ALA 71 3HB ALA 71 8.705 -6.807 -10.910 561 H GLN 72 H GLN 72 5.545 -6.750 -12.739 562 HA GLN 72 HA GLN 72 4.787 -9.320 -13.790 563 HB2 GLN 72 1HB GLN 72 3.250 -6.929 -12.803 564 HB3 GLN 72 2HB GLN 72 2.439 -8.295 -13.559 565 HG2 GLN 72 1HG GLN 72 4.151 -8.400 -11.085 566 HG3 GLN 72 2HG GLN 72 2.390 -8.469 -11.140 567 HE21 GLN 72 1HE2 GLN 72 5.027 -10.297 -10.738 568 HE22 GLN 72 2HE2 GLN 72 4.449 -11.816 -11.325 569 H GLY 73 H GLY 73 5.216 -6.122 -15.024 570 HA2 GLY 73 1HA GLY 73 5.266 -6.735 -17.678 571 HA3 GLY 73 2HA GLY 73 3.559 -6.477 -17.351 572 H LYS 74 H LYS 74 6.723 -4.929 -16.845 573 HA LYS 74 HA LYS 74 5.915 -2.368 -16.272 574 HB2 LYS 74 1HB LYS 74 8.274 -3.211 -16.322 575 HB3 LYS 74 2HB LYS 74 8.239 -3.071 -18.074 576 HG2 LYS 74 1HG LYS 74 7.847 -0.665 -17.872 577 HG3 LYS 74 2HG LYS 74 7.896 -0.810 -16.113 578 HD2 LYS 74 1HD LYS 74 10.202 -1.597 -16.231 579 HD3 LYS 74 2HD LYS 74 10.155 -1.503 -17.993 580 HE2 LYS 74 1HE LYS 74 9.879 0.885 -17.908 581 HE3 LYS 74 2HE LYS 74 9.727 0.847 -16.152 582 HZ1 LYS 74 1HZ LYS 74 12.079 -0.304 -16.405 583 HZ2 LYS 74 2HZ LYS 74 11.907 1.377 -16.313 584 HZ3 LYS 74 3HZ LYS 74 12.113 0.629 -17.816 585 H ASP 75 H ASP 75 6.454 -3.751 -19.507 586 HA ASP 75 HA ASP 75 4.464 -1.937 -20.597 587 HB2 ASP 75 1HB ASP 75 7.377 -1.771 -21.203 588 HB3 ASP 75 2HB ASP 75 6.247 -1.541 -22.534 589 HA PRO 76 HA PRO 76 3.530 -5.568 -22.914 590 HB2 PRO 76 1HB PRO 76 1.941 -4.435 -24.803 591 HB3 PRO 76 2HB PRO 76 1.418 -4.693 -23.134 592 HG2 PRO 76 1HG PRO 76 2.442 -2.199 -24.435 593 HG3 PRO 76 2HG PRO 76 1.081 -2.398 -23.316 594 HD2 PRO 76 1HD PRO 76 3.503 -1.488 -22.516 595 HD3 PRO 76 2HD PRO 76 2.450 -2.454 -21.461 596 H GLY 77 H GLY 77 5.139 -2.813 -24.243 597 HA2 GLY 77 1HA GLY 77 6.668 -4.421 -26.030 598 HA3 GLY 77 2HA GLY 77 5.471 -3.477 -26.905 599 HA PRO 78 HA PRO 78 8.576 -0.400 -24.778 600 HB2 PRO 78 1HB PRO 78 10.954 -1.493 -24.057 601 HB3 PRO 78 2HB PRO 78 9.575 -1.381 -22.957 602 HG2 PRO 78 1HG PRO 78 10.525 -3.716 -24.572 603 HG3 PRO 78 2HG PRO 78 9.961 -3.673 -22.891 604 HD2 PRO 78 1HD PRO 78 8.385 -4.490 -24.935 605 HD3 PRO 78 2HD PRO 78 7.740 -3.663 -23.503 606 H SER 79 H SER 79 10.212 -3.112 -26.420 607 HA SER 79 HA SER 79 11.810 -1.306 -28.008 608 HB2 SER 79 1HB SER 79 12.611 -3.450 -29.082 609 HB3 SER 79 2HB SER 79 12.873 -3.347 -27.342 610 HG SER 79 HG SER 79 11.919 -5.241 -27.427 611 H GLU 80 H GLU 80 11.001 -0.305 -29.720 612 HA GLU 80 HA GLU 80 8.818 -1.568 -31.219 613 HB2 GLU 80 1HB GLU 80 8.312 0.621 -32.086 614 HB3 GLU 80 2HB GLU 80 8.475 0.734 -30.338 615 HG2 GLU 80 1HG GLU 80 10.807 1.327 -32.106 616 HG3 GLU 80 2HG GLU 80 9.551 2.536 -31.849 617 H LYS 81 H LYS 81 8.846 -1.528 -33.540 618 HA LYS 81 HA LYS 81 11.346 -0.982 -34.890 619 HB2 LYS 81 1HB LYS 81 11.662 -3.228 -35.751 620 HB3 LYS 81 2HB LYS 81 11.688 -3.258 -33.993 621 HG2 LYS 81 1HG LYS 81 9.148 -3.820 -35.460 622 HG3 LYS 81 2HG LYS 81 10.379 -5.075 -35.294 623 HD2 LYS 81 1HD LYS 81 10.088 -5.252 -33.032 624 HD3 LYS 81 2HD LYS 81 9.580 -3.569 -32.857 625 HE2 LYS 81 1HE LYS 81 7.861 -5.541 -34.314 626 HE3 LYS 81 2HE LYS 81 7.835 -5.460 -32.554 627 HZ1 LYS 81 1HZ LYS 81 7.636 -2.860 -33.617 628 HZ2 LYS 81 2HZ LYS 81 6.520 -3.701 -32.664 629 HZ3 LYS 81 3HZ LYS 81 6.469 -3.839 -34.350 630 H GLN 82 H GLN 82 11.153 -1.457 -37.272 631 HA GLN 82 HA GLN 82 8.394 -0.919 -38.140 632 HB2 GLN 82 1HB GLN 82 11.044 0.084 -39.040 633 HB3 GLN 82 2HB GLN 82 9.805 -0.137 -40.269 634 HG2 GLN 82 1HG GLN 82 9.922 2.157 -39.328 635 HG3 GLN 82 2HG GLN 82 8.341 1.390 -39.180 636 HE21 GLN 82 1HE2 GLN 82 7.400 1.518 -37.277 637 HE22 GLN 82 2HE2 GLN 82 8.188 1.814 -35.769 638 H LYS 83 H LYS 83 7.423 -2.244 -39.557 639 HA LYS 83 HA LYS 83 9.032 -4.445 -40.674 640 HB2 LYS 83 1HB LYS 83 6.269 -4.343 -39.543 641 HB3 LYS 83 2HB LYS 83 6.616 -5.508 -40.813 642 HG2 LYS 83 1HG LYS 83 8.443 -5.363 -38.470 643 HG3 LYS 83 2HG LYS 83 6.870 -6.141 -38.284 644 HD2 LYS 83 1HD LYS 83 8.166 -7.930 -38.921 645 HD3 LYS 83 2HD LYS 83 7.570 -7.378 -40.489 646 HE2 LYS 83 1HE LYS 83 9.610 -6.363 -41.030 647 HE3 LYS 83 2HE LYS 83 10.164 -6.379 -39.357 648 HZ1 LYS 83 1HZ LYS 83 10.923 -8.158 -41.187 649 HZ2 LYS 83 2HZ LYS 83 9.607 -8.979 -40.514 650 HZ3 LYS 83 3HZ LYS 83 10.888 -8.484 -39.527 651 HA PRO 84 HA PRO 84 7.656 -2.019 -44.324 652 HB2 PRO 84 1HB PRO 84 9.882 -2.561 -45.783 653 HB3 PRO 84 2HB PRO 84 9.800 -1.240 -44.610 654 HG2 PRO 84 1HG PRO 84 10.974 -3.977 -44.302 655 HG3 PRO 84 2HG PRO 84 11.623 -2.415 -43.771 656 HD2 PRO 84 1HD PRO 84 10.370 -4.120 -42.084 657 HD3 PRO 84 2HD PRO 84 10.291 -2.357 -41.892 658 H VAL 85 H VAL 85 7.738 -2.781 -46.715 659 HA VAL 85 HA VAL 85 6.196 -5.043 -47.028 660 HB VAL 85 HB VAL 85 6.678 -4.955 -49.397 661 HG11 VAL 85 1HG1 VAL 85 6.500 -2.256 -48.073 662 HG12 VAL 85 2HG1 VAL 85 6.269 -2.512 -49.804 663 HG13 VAL 85 3HG1 VAL 85 5.175 -3.269 -48.645 664 HG21 VAL 85 1HG2 VAL 85 8.449 -2.945 -49.871 665 HG22 VAL 85 2HG2 VAL 85 9.168 -3.721 -48.459 666 HG23 VAL 85 3HG2 VAL 85 8.845 -4.664 -49.914 667 H PHE 86 H PHE 86 6.577 -7.163 -47.675 668 HA PHE 86 HA PHE 86 8.997 -8.322 -46.681 669 HB2 PHE 86 1HB PHE 86 7.995 -10.452 -47.238 670 HB3 PHE 86 2HB PHE 86 6.772 -9.425 -46.498 671 HD1 PHE 86 2HD PHE 86 4.995 -8.427 -47.875 672 HD2 PHE 86 1HD PHE 86 7.800 -11.191 -49.490 673 HE1 PHE 86 2HE PHE 86 3.521 -8.785 -49.812 674 HE2 PHE 86 1HE PHE 86 6.331 -11.554 -51.430 675 HZ PHE 86 HZ PHE 86 4.188 -10.352 -51.592 676 H THR 87 H THR 87 10.837 -8.483 -47.757 677 HA THR 87 HA THR 87 10.845 -8.226 -50.664 678 HB THR 87 HB THR 87 13.337 -8.097 -50.388 679 HG1 THR 87 1HG THR 87 14.020 -7.710 -48.163 680 HG21 THR 87 1HG2 THR 87 11.524 -6.159 -48.975 681 HG22 THR 87 2HG2 THR 87 12.240 -6.025 -50.581 682 HG23 THR 87 3HG2 THR 87 13.253 -5.862 -49.147 683 H SER 88 H SER 88 11.912 -10.473 -48.142 684 HA SER 88 HA SER 88 12.978 -12.376 -49.995 685 HB2 SER 88 1HB SER 88 12.531 -12.272 -47.049 686 HB3 SER 88 2HB SER 88 12.726 -13.858 -47.794 687 HG SER 88 HG SER 88 14.742 -13.097 -47.207 688 H GLY 89 H GLY 89 11.366 -12.901 -51.463 689 HA2 GLY 89 1HA GLY 89 9.081 -14.395 -50.328 690 HA3 GLY 89 2HA GLY 89 8.961 -13.421 -51.786 691 HA PRO 90 HA PRO 90 9.893 -17.915 -52.818 692 HB2 PRO 90 1HB PRO 90 7.635 -18.368 -54.254 693 HB3 PRO 90 2HB PRO 90 7.733 -18.636 -52.510 694 HG2 PRO 90 1HG PRO 90 6.602 -16.304 -54.007 695 HG3 PRO 90 2HG PRO 90 5.949 -17.148 -52.591 696 HD2 PRO 90 1HD PRO 90 7.271 -14.792 -52.402 697 HD3 PRO 90 2HD PRO 90 7.332 -16.027 -51.128 698 H SER 91 H SER 91 10.988 -18.380 -54.636 699 HA SER 91 HA SER 91 11.103 -16.385 -56.731 700 HB2 SER 91 1HB SER 91 12.648 -18.948 -56.286 701 HB3 SER 91 2HB SER 91 12.928 -17.851 -57.638 702 HG SER 91 HG SER 91 12.965 -16.339 -55.523 703 H SER 92 H SER 92 10.056 -16.476 -58.602 704 HA SER 92 HA SER 92 8.748 -19.008 -59.343 705 HB2 SER 92 1HB SER 92 7.982 -16.170 -60.070 706 HB3 SER 92 2HB SER 92 7.129 -17.622 -60.592 707 HG SER 92 HG SER 92 6.837 -18.067 -58.300 708 H GLY 93 H GLY 93 11.426 -18.673 -60.003 709 HA2 GLY 93 1HA GLY 93 12.294 -19.515 -62.130 710 HA3 GLY 93 2HA GLY 93 11.241 -18.361 -62.935 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.162 11.894 6.690 2 HA2 GLY 1 1HA GLY 1 3.511 10.656 5.475 3 HA3 GLY 1 2HA GLY 1 2.014 10.580 4.558 4 H SER 2 H SER 2 4.783 12.356 5.139 5 HA SER 2 HA SER 2 3.787 14.989 4.692 6 HB2 SER 2 1HB SER 2 6.534 13.755 4.609 7 HB3 SER 2 2HB SER 2 6.270 15.437 4.149 8 HG SER 2 HG SER 2 5.181 14.566 6.564 9 H SER 3 H SER 3 5.744 12.851 2.607 10 HA SER 3 HA SER 3 5.653 14.326 0.287 11 HB2 SER 3 1HB SER 3 5.824 11.373 0.803 12 HB3 SER 3 2HB SER 3 5.734 11.976 -0.852 13 HG SER 3 HG SER 3 7.754 12.306 1.063 14 H GLY 4 H GLY 4 4.467 13.550 -1.783 15 HA2 GLY 4 1HA GLY 4 1.871 12.446 -1.577 16 HA3 GLY 4 2HA GLY 4 1.765 14.200 -1.549 17 H SER 5 H SER 5 2.978 11.463 -3.434 18 HA SER 5 HA SER 5 3.202 13.134 -5.808 19 HB2 SER 5 1HB SER 5 4.260 11.250 -6.854 20 HB3 SER 5 2HB SER 5 4.926 11.386 -5.226 21 HG SER 5 HG SER 5 3.661 9.680 -4.579 22 H SER 6 H SER 6 0.616 13.058 -4.960 23 HA SER 6 HA SER 6 -0.665 11.568 -7.131 24 HB2 SER 6 1HB SER 6 -0.809 10.416 -4.778 25 HB3 SER 6 2HB SER 6 -2.024 11.652 -4.458 26 HG SER 6 HG SER 6 -2.881 9.676 -5.335 27 H GLY 7 H GLY 7 -2.800 12.383 -7.687 28 HA2 GLY 7 1HA GLY 7 -4.453 14.197 -7.044 29 HA3 GLY 7 2HA GLY 7 -3.045 15.248 -7.016 30 H MET 8 H MET 8 -4.592 12.901 -9.213 31 HA MET 8 HA MET 8 -4.792 14.878 -11.289 32 HB2 MET 8 1HB MET 8 -3.348 13.861 -12.901 33 HB3 MET 8 2HB MET 8 -2.407 14.111 -11.436 34 HG2 MET 8 1HG MET 8 -2.563 11.796 -10.862 35 HG3 MET 8 2HG MET 8 -3.695 11.499 -12.179 36 HE1 MET 8 1HE MET 8 -0.538 10.677 -11.033 37 HE2 MET 8 2HE MET 8 -1.247 9.493 -12.132 38 HE3 MET 8 3HE MET 8 0.325 10.207 -12.499 39 HA PRO 9 HA PRO 9 -8.164 12.322 -12.465 40 HB2 PRO 9 1HB PRO 9 -8.384 12.955 -15.095 41 HB3 PRO 9 2HB PRO 9 -8.851 14.061 -13.799 42 HG2 PRO 9 1HG PRO 9 -6.332 13.992 -15.414 43 HG3 PRO 9 2HG PRO 9 -7.311 15.388 -14.929 44 HD2 PRO 9 1HD PRO 9 -5.033 14.689 -13.643 45 HD3 PRO 9 2HD PRO 9 -6.406 15.446 -12.810 46 H ASN 10 H ASN 10 -7.241 10.249 -12.204 47 HA ASN 10 HA ASN 10 -5.719 9.083 -14.375 48 HB2 ASN 10 1HB ASN 10 -5.820 7.018 -12.907 49 HB3 ASN 10 2HB ASN 10 -5.022 8.418 -12.198 50 HD21 ASN 10 1HD2 ASN 10 -7.325 6.053 -11.749 51 HD22 ASN 10 2HD2 ASN 10 -8.133 6.724 -10.378 52 H ARG 11 H ARG 11 -6.615 8.145 -16.078 53 HA ARG 11 HA ARG 11 -9.426 7.705 -16.260 54 HB2 ARG 11 1HB ARG 11 -7.079 7.319 -18.057 55 HB3 ARG 11 2HB ARG 11 -8.567 6.465 -18.445 56 HG2 ARG 11 1HG ARG 11 -8.734 9.371 -17.863 57 HG3 ARG 11 2HG ARG 11 -8.049 8.861 -19.407 58 HD2 ARG 11 1HD ARG 11 -10.086 7.496 -19.796 59 HD3 ARG 11 2HD ARG 11 -10.770 8.158 -18.312 60 HE ARG 11 HE ARG 11 -9.933 10.163 -20.194 61 HH11 ARG 11 1HH1 ARG 11 -12.519 8.039 -19.234 62 HH12 ARG 11 2HH1 ARG 11 -13.760 9.010 -19.955 63 HH21 ARG 11 1HH2 ARG 11 -11.557 11.451 -21.146 64 HH22 ARG 11 2HH2 ARG 11 -13.211 10.951 -21.042 65 H LYS 12 H LYS 12 -6.632 5.492 -16.315 66 HA LYS 12 HA LYS 12 -8.417 3.225 -15.886 67 HB2 LYS 12 1HB LYS 12 -5.419 3.256 -16.274 68 HB3 LYS 12 2HB LYS 12 -6.459 1.838 -16.298 69 HG2 LYS 12 1HG LYS 12 -6.667 4.114 -18.254 70 HG3 LYS 12 2HG LYS 12 -5.750 2.634 -18.542 71 HD2 LYS 12 1HD LYS 12 -7.722 2.039 -19.522 72 HD3 LYS 12 2HD LYS 12 -8.060 1.517 -17.871 73 HE2 LYS 12 1HE LYS 12 -9.951 2.725 -18.268 74 HE3 LYS 12 2HE LYS 12 -8.918 4.014 -17.653 75 HZ1 LYS 12 1HZ LYS 12 -9.490 3.397 -20.500 76 HZ2 LYS 12 2HZ LYS 12 -8.349 4.534 -19.989 77 HZ3 LYS 12 3HZ LYS 12 -9.986 4.765 -19.635 78 H ALA 13 H ALA 13 -8.280 1.837 -14.116 79 HA ALA 13 HA ALA 13 -7.300 3.096 -11.684 80 HB1 ALA 13 1HB ALA 13 -8.412 0.652 -10.987 81 HB2 ALA 13 2HB ALA 13 -9.207 2.226 -10.935 82 HB3 ALA 13 3HB ALA 13 -9.379 1.199 -12.358 83 H SER 14 H SER 14 -5.272 2.746 -11.082 84 HA SER 14 HA SER 14 -4.062 0.120 -11.644 85 HB2 SER 14 1HB SER 14 -2.799 2.844 -11.292 86 HB3 SER 14 2HB SER 14 -1.870 1.346 -11.343 87 HG SER 14 HG SER 14 -3.257 1.102 -13.422 88 H ARG 15 H ARG 15 -2.310 -0.478 -10.018 89 HA ARG 15 HA ARG 15 -3.454 -0.188 -7.340 90 HB2 ARG 15 1HB ARG 15 -1.386 -2.126 -8.395 91 HB3 ARG 15 2HB ARG 15 -2.036 -2.126 -6.762 92 HG2 ARG 15 1HG ARG 15 -4.187 -2.760 -7.519 93 HG3 ARG 15 2HG ARG 15 -3.756 -2.455 -9.203 94 HD2 ARG 15 1HD ARG 15 -2.208 -4.305 -9.186 95 HD3 ARG 15 2HD ARG 15 -2.478 -4.558 -7.463 96 HE ARG 15 HE ARG 15 -4.393 -5.701 -7.969 97 HH11 ARG 15 1HH1 ARG 15 -3.391 -3.870 -10.755 98 HH12 ARG 15 2HH1 ARG 15 -4.569 -4.580 -11.809 99 HH21 ARG 15 1HH2 ARG 15 -5.949 -6.644 -9.346 100 HH22 ARG 15 2HH2 ARG 15 -6.025 -6.157 -11.005 101 H ASN 16 H ASN 16 -2.543 1.083 -5.872 102 HA ASN 16 HA ASN 16 0.305 1.775 -6.181 103 HB2 ASN 16 1HB ASN 16 -2.036 3.554 -5.531 104 HB3 ASN 16 2HB ASN 16 -0.393 4.000 -5.082 105 HD21 ASN 16 1HD2 ASN 16 -1.918 2.552 -7.944 106 HD22 ASN 16 2HD2 ASN 16 -1.230 3.659 -9.078 107 H ALA 17 H ALA 17 1.012 2.942 -3.996 108 HA ALA 17 HA ALA 17 1.320 1.064 -2.050 109 HB1 ALA 17 1HB ALA 17 2.295 3.485 -2.315 110 HB2 ALA 17 2HB ALA 17 1.021 3.894 -1.166 111 HB3 ALA 17 3HB ALA 17 2.245 2.700 -0.736 112 H TYR 18 H TYR 18 -1.389 3.272 -2.448 113 HA TYR 18 HA TYR 18 -2.623 2.755 0.047 114 HB2 TYR 18 1HB TYR 18 -3.151 4.722 -1.354 115 HB3 TYR 18 2HB TYR 18 -3.898 3.661 -2.544 116 HD1 TYR 18 2HD TYR 18 -4.137 3.725 1.182 117 HD2 TYR 18 1HD TYR 18 -6.171 4.104 -2.536 118 HE1 TYR 18 2HE TYR 18 -6.279 3.898 2.378 119 HE2 TYR 18 1HE TYR 18 -8.319 4.279 -1.350 120 HH TYR 18 HH TYR 18 -8.935 3.318 1.490 121 H TYR 19 H TYR 19 -2.980 1.318 -3.165 122 HA TYR 19 HA TYR 19 -5.145 -0.379 -2.520 123 HB2 TYR 19 1HB TYR 19 -4.546 0.170 -4.835 124 HB3 TYR 19 2HB TYR 19 -3.025 -0.696 -4.656 125 HD1 TYR 19 1HD TYR 19 -2.978 -3.133 -4.599 126 HD2 TYR 19 2HD TYR 19 -6.640 -1.022 -5.095 127 HE1 TYR 19 1HE TYR 19 -4.070 -5.211 -5.336 128 HE2 TYR 19 2HE TYR 19 -7.741 -3.094 -5.832 129 HH TYR 19 HH TYR 19 -5.919 -6.106 -6.221 130 H PHE 20 H PHE 20 -1.637 -0.901 -2.569 131 HA PHE 20 HA PHE 20 -1.686 -3.628 -1.889 132 HB2 PHE 20 1HB PHE 20 0.350 -1.459 -1.836 133 HB3 PHE 20 2HB PHE 20 0.685 -2.903 -0.887 134 HD1 PHE 20 2HD PHE 20 -0.497 -1.971 -4.301 135 HD2 PHE 20 1HD PHE 20 1.829 -4.609 -1.904 136 HE1 PHE 20 2HE PHE 20 0.288 -3.118 -6.331 137 HE2 PHE 20 1HE PHE 20 2.619 -5.760 -3.930 138 HZ PHE 20 HZ PHE 20 1.847 -5.015 -6.148 139 H PHE 21 H PHE 21 -1.559 -0.710 0.102 140 HA PHE 21 HA PHE 21 -1.145 -1.922 2.584 141 HB2 PHE 21 1HB PHE 21 -0.903 0.432 2.469 142 HB3 PHE 21 2HB PHE 21 -2.513 0.642 1.788 143 HD1 PHE 21 1HD PHE 21 -0.881 -0.719 4.854 144 HD2 PHE 21 2HD PHE 21 -4.179 1.385 3.177 145 HE1 PHE 21 1HE PHE 21 -1.778 -0.333 7.112 146 HE2 PHE 21 2HE PHE 21 -5.082 1.774 5.432 147 HZ PHE 21 HZ PHE 21 -3.881 0.916 7.404 148 H VAL 22 H VAL 22 -4.118 -1.302 0.787 149 HA VAL 22 HA VAL 22 -5.845 -2.228 2.879 150 HB VAL 22 HB VAL 22 -6.344 -1.688 -0.048 151 HG11 VAL 22 1HG1 VAL 22 -7.907 -3.378 0.604 152 HG12 VAL 22 2HG1 VAL 22 -8.276 -2.529 2.107 153 HG13 VAL 22 3HG1 VAL 22 -8.760 -1.835 0.559 154 HG21 VAL 22 1HG2 VAL 22 -7.083 -0.187 2.462 155 HG22 VAL 22 2HG2 VAL 22 -5.888 0.298 1.258 156 HG23 VAL 22 3HG2 VAL 22 -7.598 0.247 0.831 157 H GLN 23 H GLN 23 -4.469 -3.621 -0.060 158 HA GLN 23 HA GLN 23 -5.908 -5.980 -0.207 159 HB2 GLN 23 1HB GLN 23 -4.003 -4.982 -1.722 160 HB3 GLN 23 2HB GLN 23 -2.966 -6.015 -0.746 161 HG2 GLN 23 1HG GLN 23 -3.422 -7.493 -2.381 162 HG3 GLN 23 2HG GLN 23 -4.842 -7.797 -1.382 163 HE21 GLN 23 1HE2 GLN 23 -6.250 -5.437 -1.985 164 HE22 GLN 23 2HE2 GLN 23 -6.775 -5.531 -3.628 165 H GLU 24 H GLU 24 -2.916 -5.337 1.605 166 HA GLU 24 HA GLU 24 -2.906 -7.959 2.787 167 HB2 GLU 24 1HB GLU 24 -1.238 -5.485 3.144 168 HB3 GLU 24 2HB GLU 24 -1.077 -6.847 4.243 169 HG2 GLU 24 1HG GLU 24 -0.682 -6.935 1.260 170 HG3 GLU 24 2HG GLU 24 0.595 -6.912 2.476 171 H LYS 25 H LYS 25 -5.019 -5.654 3.235 172 HA LYS 25 HA LYS 25 -5.180 -6.052 6.151 173 HB2 LYS 25 1HB LYS 25 -5.903 -3.634 4.499 174 HB3 LYS 25 2HB LYS 25 -6.474 -3.860 6.147 175 HG2 LYS 25 1HG LYS 25 -3.553 -4.006 5.543 176 HG3 LYS 25 2HG LYS 25 -4.354 -2.442 5.704 177 HD2 LYS 25 1HD LYS 25 -5.130 -3.062 7.935 178 HD3 LYS 25 2HD LYS 25 -4.357 -4.641 7.772 179 HE2 LYS 25 1HE LYS 25 -2.708 -2.190 7.387 180 HE3 LYS 25 2HE LYS 25 -3.165 -2.653 9.026 181 HZ1 LYS 25 1HZ LYS 25 -2.148 -4.822 7.420 182 HZ2 LYS 25 2HZ LYS 25 -1.767 -4.380 9.007 183 HZ3 LYS 25 3HZ LYS 25 -1.020 -3.594 7.708 184 H ILE 26 H ILE 26 -6.760 -6.205 3.087 185 HA ILE 26 HA ILE 26 -9.423 -6.141 3.599 186 HB ILE 26 HB ILE 26 -7.772 -7.785 1.762 187 HG12 ILE 26 1HG1 ILE 26 -10.244 -6.115 1.276 188 HG13 ILE 26 2HG1 ILE 26 -8.612 -5.454 1.294 189 HG21 ILE 26 1HG2 ILE 26 -10.076 -8.725 0.933 190 HG22 ILE 26 2HG2 ILE 26 -9.169 -9.550 2.200 191 HG23 ILE 26 3HG2 ILE 26 -10.529 -8.509 2.624 192 HD11 ILE 26 1HD1 ILE 26 -9.091 -5.785 -0.958 193 HD12 ILE 26 2HD1 ILE 26 -8.096 -7.175 -0.521 194 HD13 ILE 26 3HD1 ILE 26 -9.845 -7.351 -0.665 195 HA PRO 27 HA PRO 27 -9.441 -10.707 5.187 196 HB2 PRO 27 1HB PRO 27 -7.033 -11.844 5.723 197 HB3 PRO 27 2HB PRO 27 -7.810 -11.941 4.137 198 HG2 PRO 27 1HG PRO 27 -5.636 -10.108 5.074 199 HG3 PRO 27 2HG PRO 27 -5.779 -10.980 3.536 200 HD2 PRO 27 1HD PRO 27 -6.391 -8.354 3.784 201 HD3 PRO 27 2HD PRO 27 -7.232 -9.427 2.646 202 H GLU 28 H GLU 28 -7.192 -8.337 6.357 203 HA GLU 28 HA GLU 28 -7.005 -9.313 9.031 204 HB2 GLU 28 1HB GLU 28 -5.304 -7.830 8.071 205 HB3 GLU 28 2HB GLU 28 -6.495 -6.545 7.927 206 HG2 GLU 28 1HG GLU 28 -5.378 -5.964 9.850 207 HG3 GLU 28 2HG GLU 28 -6.769 -6.843 10.482 208 H LEU 29 H LEU 29 -9.061 -6.968 7.383 209 HA LEU 29 HA LEU 29 -10.379 -6.090 9.765 210 HB2 LEU 29 1HB LEU 29 -11.076 -5.812 6.849 211 HB3 LEU 29 2HB LEU 29 -12.004 -5.075 8.153 212 HG LEU 29 HG LEU 29 -9.091 -4.484 7.666 213 HD11 LEU 29 1HD1 LEU 29 -10.331 -2.255 6.850 214 HD12 LEU 29 2HD1 LEU 29 -11.514 -3.455 6.331 215 HD13 LEU 29 3HD1 LEU 29 -9.849 -3.551 5.755 216 HD21 LEU 29 1HD2 LEU 29 -10.882 -2.533 8.937 217 HD22 LEU 29 2HD2 LEU 29 -9.236 -3.009 9.357 218 HD23 LEU 29 3HD2 LEU 29 -10.601 -4.007 9.864 219 H ARG 30 H ARG 30 -11.156 -8.371 7.170 220 HA ARG 30 HA ARG 30 -13.748 -9.019 7.740 221 HB2 ARG 30 1HB ARG 30 -11.435 -10.566 6.679 222 HB3 ARG 30 2HB ARG 30 -12.877 -11.465 7.136 223 HG2 ARG 30 1HG ARG 30 -14.210 -10.320 5.558 224 HG3 ARG 30 2HG ARG 30 -12.957 -9.108 5.275 225 HD2 ARG 30 1HD ARG 30 -12.659 -10.445 3.440 226 HD3 ARG 30 2HD ARG 30 -11.544 -11.210 4.571 227 HE ARG 30 HE ARG 30 -14.009 -12.307 3.541 228 HH11 ARG 30 1HH1 ARG 30 -11.569 -12.475 6.020 229 HH12 ARG 30 2HH1 ARG 30 -11.908 -14.125 6.423 230 HH21 ARG 30 1HH2 ARG 30 -14.463 -14.480 4.063 231 HH22 ARG 30 2HH2 ARG 30 -13.553 -15.266 5.309 232 H ARG 31 H ARG 31 -10.863 -9.987 9.494 233 HA ARG 31 HA ARG 31 -12.210 -11.868 11.180 234 HB2 ARG 31 1HB ARG 31 -9.508 -10.535 11.368 235 HB3 ARG 31 2HB ARG 31 -10.080 -11.723 12.529 236 HG2 ARG 31 1HG ARG 31 -10.363 -13.315 10.606 237 HG3 ARG 31 2HG ARG 31 -9.519 -12.130 9.605 238 HD2 ARG 31 1HD ARG 31 -7.756 -13.433 10.248 239 HD3 ARG 31 2HD ARG 31 -7.751 -12.247 11.553 240 HE ARG 31 HE ARG 31 -8.286 -13.920 13.010 241 HH11 ARG 31 1HH1 ARG 31 -9.030 -14.971 9.776 242 HH12 ARG 31 2HH1 ARG 31 -9.422 -16.590 10.252 243 HH21 ARG 31 1HH2 ARG 31 -8.800 -16.049 13.650 244 HH22 ARG 31 2HH2 ARG 31 -9.291 -17.202 12.456 245 H ARG 32 H ARG 32 -11.193 -8.495 11.482 246 HA ARG 32 HA ARG 32 -11.737 -8.088 14.174 247 HB2 ARG 32 1HB ARG 32 -11.766 -6.295 11.772 248 HB3 ARG 32 2HB ARG 32 -12.302 -5.677 13.329 249 HG2 ARG 32 1HG ARG 32 -10.003 -6.720 14.122 250 HG3 ARG 32 2HG ARG 32 -9.590 -6.460 12.426 251 HD2 ARG 32 1HD ARG 32 -8.953 -4.535 13.767 252 HD3 ARG 32 2HD ARG 32 -10.236 -4.107 12.636 253 HE ARG 32 HE ARG 32 -11.581 -4.740 14.900 254 HH11 ARG 32 1HH1 ARG 32 -8.943 -2.581 14.193 255 HH12 ARG 32 2HH1 ARG 32 -9.359 -1.454 15.440 256 HH21 ARG 32 1HH2 ARG 32 -12.140 -3.264 16.547 257 HH22 ARG 32 2HH2 ARG 32 -11.177 -1.843 16.780 258 H GLY 33 H GLY 33 -13.914 -7.942 11.385 259 HA2 GLY 33 1HA GLY 33 -16.196 -8.825 11.877 260 HA3 GLY 33 2HA GLY 33 -16.174 -7.772 13.283 261 H LEU 34 H LEU 34 -15.176 -7.158 9.929 262 HA LEU 34 HA LEU 34 -17.267 -5.091 9.778 263 HB2 LEU 34 1HB LEU 34 -14.415 -4.917 8.821 264 HB3 LEU 34 2HB LEU 34 -15.670 -3.747 8.419 265 HG LEU 34 HG LEU 34 -14.716 -4.328 11.220 266 HD11 LEU 34 1HD1 LEU 34 -13.671 -2.049 10.995 267 HD12 LEU 34 2HD1 LEU 34 -13.929 -2.190 9.257 268 HD13 LEU 34 3HD1 LEU 34 -12.886 -3.343 10.090 269 HD21 LEU 34 1HD2 LEU 34 -16.573 -2.270 10.046 270 HD22 LEU 34 2HD2 LEU 34 -15.869 -2.137 11.656 271 HD23 LEU 34 3HD2 LEU 34 -16.937 -3.486 11.269 272 HA PRO 35 HA PRO 35 -18.469 -7.095 6.043 273 HB2 PRO 35 1HB PRO 35 -19.845 -5.052 4.902 274 HB3 PRO 35 2HB PRO 35 -20.466 -5.983 6.271 275 HG2 PRO 35 1HG PRO 35 -19.128 -3.305 6.252 276 HG3 PRO 35 2HG PRO 35 -20.550 -3.838 7.167 277 HD2 PRO 35 1HD PRO 35 -18.083 -3.678 8.272 278 HD3 PRO 35 2HD PRO 35 -19.277 -4.891 8.775 279 H VAL 36 H VAL 36 -16.164 -7.129 5.349 280 HA VAL 36 HA VAL 36 -15.717 -5.236 3.133 281 HB VAL 36 HB VAL 36 -13.211 -5.929 3.587 282 HG11 VAL 36 1HG1 VAL 36 -14.859 -3.837 4.958 283 HG12 VAL 36 2HG1 VAL 36 -13.122 -3.955 5.248 284 HG13 VAL 36 3HG1 VAL 36 -13.727 -3.663 3.617 285 HG21 VAL 36 1HG2 VAL 36 -14.065 -7.458 5.477 286 HG22 VAL 36 2HG2 VAL 36 -12.649 -6.454 5.787 287 HG23 VAL 36 3HG2 VAL 36 -14.226 -5.968 6.406 288 H ALA 37 H ALA 37 -15.838 -6.213 1.232 289 HA ALA 37 HA ALA 37 -15.288 -9.089 1.060 290 HB1 ALA 37 1HB ALA 37 -16.869 -7.202 -0.655 291 HB2 ALA 37 2HB ALA 37 -16.380 -8.793 -1.238 292 HB3 ALA 37 3HB ALA 37 -17.411 -8.655 0.186 293 H ARG 38 H ARG 38 -14.324 -5.976 -0.255 294 HA ARG 38 HA ARG 38 -11.853 -7.160 -1.216 295 HB2 ARG 38 1HB ARG 38 -12.056 -6.179 -3.456 296 HB3 ARG 38 2HB ARG 38 -13.321 -7.362 -3.157 297 HG2 ARG 38 1HG ARG 38 -14.816 -5.416 -2.549 298 HG3 ARG 38 2HG ARG 38 -13.556 -4.370 -3.209 299 HD2 ARG 38 1HD ARG 38 -15.120 -4.725 -4.952 300 HD3 ARG 38 2HD ARG 38 -13.712 -5.718 -5.331 301 HE ARG 38 HE ARG 38 -15.290 -7.447 -4.018 302 HH11 ARG 38 1HH1 ARG 38 -15.911 -5.247 -6.644 303 HH12 ARG 38 2HH1 ARG 38 -17.148 -6.235 -7.350 304 HH21 ARG 38 1HH2 ARG 38 -16.917 -8.756 -4.938 305 HH22 ARG 38 2HH2 ARG 38 -17.720 -8.229 -6.379 306 H VAL 39 H VAL 39 -10.629 -5.177 -2.441 307 HA VAL 39 HA VAL 39 -9.856 -3.411 -0.454 308 HB VAL 39 HB VAL 39 -9.643 -3.130 -3.450 309 HG11 VAL 39 1HG1 VAL 39 -9.016 -1.233 -1.331 310 HG12 VAL 39 2HG1 VAL 39 -7.631 -1.603 -2.360 311 HG13 VAL 39 3HG1 VAL 39 -9.122 -0.990 -3.074 312 HG21 VAL 39 1HG2 VAL 39 -8.379 -4.981 -2.763 313 HG22 VAL 39 2HG2 VAL 39 -7.212 -3.664 -2.870 314 HG23 VAL 39 3HG2 VAL 39 -7.826 -4.170 -1.297 315 H ALA 40 H ALA 40 -12.033 -2.777 -3.201 316 HA ALA 40 HA ALA 40 -12.626 -0.138 -2.774 317 HB1 ALA 40 1HB ALA 40 -14.762 -0.547 -3.881 318 HB2 ALA 40 2HB ALA 40 -13.454 -1.416 -4.684 319 HB3 ALA 40 3HB ALA 40 -14.568 -2.282 -3.627 320 H ASP 41 H ASP 41 -13.542 -2.857 -0.845 321 HA ASP 41 HA ASP 41 -15.598 -1.391 0.591 322 HB2 ASP 41 1HB ASP 41 -14.477 -4.179 0.903 323 HB3 ASP 41 2HB ASP 41 -15.705 -3.504 1.971 324 H ALA 42 H ALA 42 -12.330 -2.618 1.138 325 HA ALA 42 HA ALA 42 -12.260 -1.556 3.835 326 HB1 ALA 42 1HB ALA 42 -9.882 -2.386 3.771 327 HB2 ALA 42 2HB ALA 42 -11.126 -3.617 3.543 328 HB3 ALA 42 3HB ALA 42 -10.226 -3.005 2.155 329 H ILE 43 H ILE 43 -12.318 0.015 1.113 330 HA ILE 43 HA ILE 43 -9.925 1.544 1.079 331 HB ILE 43 HB ILE 43 -12.574 1.728 -0.243 332 HG12 ILE 43 1HG1 ILE 43 -9.704 1.968 -1.171 333 HG13 ILE 43 2HG1 ILE 43 -10.735 0.549 -1.317 334 HG21 ILE 43 1HG2 ILE 43 -10.829 4.079 0.329 335 HG22 ILE 43 2HG2 ILE 43 -11.697 3.991 -1.202 336 HG23 ILE 43 3HG2 ILE 43 -12.588 3.961 0.319 337 HD11 ILE 43 1HD1 ILE 43 -11.091 1.314 -3.384 338 HD12 ILE 43 2HD1 ILE 43 -12.223 2.414 -2.598 339 HD13 ILE 43 3HD1 ILE 43 -10.587 2.954 -2.973 340 HA PRO 44 HA PRO 44 -12.547 4.904 3.359 341 HB2 PRO 44 1HB PRO 44 -14.941 4.131 4.380 342 HB3 PRO 44 2HB PRO 44 -14.757 4.771 2.743 343 HG2 PRO 44 1HG PRO 44 -14.973 1.927 3.651 344 HG3 PRO 44 2HG PRO 44 -15.747 2.721 2.268 345 HD2 PRO 44 1HD PRO 44 -13.545 1.166 2.010 346 HD3 PRO 44 2HD PRO 44 -13.857 2.562 0.958 347 H TYR 45 H TYR 45 -13.175 1.640 4.631 348 HA TYR 45 HA TYR 45 -13.050 2.279 7.351 349 HB2 TYR 45 1HB TYR 45 -12.324 -0.313 5.969 350 HB3 TYR 45 2HB TYR 45 -12.595 -0.131 7.700 351 HD1 TYR 45 2HD TYR 45 -14.961 1.333 8.054 352 HD2 TYR 45 1HD TYR 45 -14.057 -1.412 4.932 353 HE1 TYR 45 2HE TYR 45 -17.364 0.924 7.725 354 HE2 TYR 45 1HE TYR 45 -16.457 -1.828 4.594 355 HH TYR 45 HH TYR 45 -18.797 -0.971 6.786 356 H CYS 46 H CYS 46 -10.620 2.371 5.033 357 HA CYS 46 HA CYS 46 -8.531 2.214 7.106 358 HB2 CYS 46 1HB CYS 46 -7.028 1.310 5.581 359 HB3 CYS 46 2HB CYS 46 -8.539 0.544 5.106 360 HG CYS 46 HG CYS 46 -8.777 1.623 2.737 361 H SER 47 H SER 47 -10.000 4.101 4.614 362 HA SER 47 HA SER 47 -8.238 5.931 3.780 363 HB2 SER 47 1HB SER 47 -10.528 6.221 3.184 364 HB3 SER 47 2HB SER 47 -11.012 6.426 4.868 365 HG SER 47 HG SER 47 -9.764 8.377 4.864 366 H SER 48 H SER 48 -9.377 5.606 7.071 367 HA SER 48 HA SER 48 -8.054 8.032 7.945 368 HB2 SER 48 1HB SER 48 -8.923 7.499 10.145 369 HB3 SER 48 2HB SER 48 -10.205 7.271 8.955 370 HG SER 48 HG SER 48 -10.195 5.182 9.326 371 H ASP 49 H ASP 49 -7.620 4.536 8.274 372 HA ASP 49 HA ASP 49 -5.400 4.608 9.998 373 HB2 ASP 49 1HB ASP 49 -6.921 2.616 9.155 374 HB3 ASP 49 2HB ASP 49 -5.649 2.447 7.948 375 H TRP 50 H TRP 50 -5.585 4.415 6.454 376 HA TRP 50 HA TRP 50 -2.883 4.232 5.881 377 HB2 TRP 50 1HB TRP 50 -4.532 3.977 4.139 378 HB3 TRP 50 2HB TRP 50 -5.082 5.637 4.354 379 HD1 TRP 50 HD TRP 50 -4.034 7.373 2.782 380 HE1 TRP 50 1HE TRP 50 -2.014 7.423 1.186 381 HE3 TRP 50 3HE TRP 50 -1.968 2.845 3.947 382 HZ2 TRP 50 2HZ TRP 50 0.166 5.762 0.511 383 HZ3 TRP 50 3HZ TRP 50 0.085 2.150 2.780 384 HH2 TRP 50 HH TRP 50 1.127 3.579 1.098 385 H ALA 51 H ALA 51 -4.808 7.060 6.697 386 HA ALA 51 HA ALA 51 -2.799 8.981 6.081 387 HB1 ALA 51 1HB ALA 51 -4.653 10.208 6.221 388 HB2 ALA 51 2HB ALA 51 -5.483 8.986 7.186 389 HB3 ALA 51 3HB ALA 51 -4.429 10.162 7.970 390 H LEU 52 H LEU 52 -3.316 6.851 8.719 391 HA LEU 52 HA LEU 52 -1.846 8.398 10.655 392 HB2 LEU 52 1HB LEU 52 -2.743 5.521 10.670 393 HB3 LEU 52 2HB LEU 52 -2.003 6.352 12.036 394 HG LEU 52 HG LEU 52 -4.666 7.024 10.786 395 HD11 LEU 52 1HD1 LEU 52 -5.369 5.312 12.034 396 HD12 LEU 52 2HD1 LEU 52 -5.077 6.369 13.414 397 HD13 LEU 52 3HD1 LEU 52 -3.846 5.209 12.915 398 HD21 LEU 52 1HD2 LEU 52 -3.257 8.197 13.181 399 HD22 LEU 52 2HD2 LEU 52 -4.910 8.558 12.684 400 HD23 LEU 52 3HD2 LEU 52 -3.559 9.009 11.644 401 H LEU 53 H LEU 53 -1.149 5.963 8.276 402 HA LEU 53 HA LEU 53 1.237 4.913 9.218 403 HB2 LEU 53 1HB LEU 53 0.104 5.381 6.502 404 HB3 LEU 53 2HB LEU 53 1.784 4.867 6.646 405 HG LEU 53 HG LEU 53 -0.453 3.322 7.924 406 HD11 LEU 53 1HD1 LEU 53 -0.021 1.841 5.793 407 HD12 LEU 53 2HD1 LEU 53 0.397 3.396 5.074 408 HD13 LEU 53 3HD1 LEU 53 -1.203 3.150 5.772 409 HD21 LEU 53 1HD2 LEU 53 1.147 1.897 8.519 410 HD22 LEU 53 2HD2 LEU 53 2.313 3.131 8.043 411 HD23 LEU 53 3HD2 LEU 53 1.834 1.879 6.895 412 H ARG 54 H ARG 54 3.448 5.351 8.324 413 HA ARG 54 HA ARG 54 3.950 8.245 8.391 414 HB2 ARG 54 1HB ARG 54 6.031 6.108 8.785 415 HB3 ARG 54 2HB ARG 54 6.081 7.791 9.292 416 HG2 ARG 54 1HG ARG 54 4.147 7.223 10.838 417 HG3 ARG 54 2HG ARG 54 4.509 5.532 10.484 418 HD2 ARG 54 1HD ARG 54 6.519 5.589 11.587 419 HD3 ARG 54 2HD ARG 54 6.733 7.320 11.330 420 HE ARG 54 HE ARG 54 5.570 6.093 13.590 421 HH11 ARG 54 1HH1 ARG 54 5.186 8.835 11.480 422 HH12 ARG 54 2HH1 ARG 54 4.431 9.823 12.686 423 HH21 ARG 54 1HH2 ARG 54 4.578 7.384 15.187 424 HH22 ARG 54 2HH2 ARG 54 4.087 8.997 14.796 425 H GLU 55 H GLU 55 5.839 9.007 7.103 426 HA GLU 55 HA GLU 55 5.490 8.617 4.402 427 HB2 GLU 55 1HB GLU 55 6.818 10.442 5.618 428 HB3 GLU 55 2HB GLU 55 8.170 9.320 5.581 429 HG2 GLU 55 1HG GLU 55 6.708 10.085 3.082 430 HG3 GLU 55 2HG GLU 55 8.006 11.082 3.737 431 H GLU 56 H GLU 56 7.901 7.076 6.509 432 HA GLU 56 HA GLU 56 9.284 5.609 4.616 433 HB2 GLU 56 1HB GLU 56 8.582 4.767 7.435 434 HB3 GLU 56 2HB GLU 56 9.851 4.060 6.445 435 HG2 GLU 56 1HG GLU 56 11.104 6.089 6.475 436 HG3 GLU 56 2HG GLU 56 9.780 6.956 7.250 437 H GLU 57 H GLU 57 6.398 4.624 6.454 438 HA GLU 57 HA GLU 57 6.110 2.083 5.324 439 HB2 GLU 57 1HB GLU 57 3.861 3.872 6.251 440 HB3 GLU 57 2HB GLU 57 3.851 2.117 6.163 441 HG2 GLU 57 1HG GLU 57 5.177 3.907 8.136 442 HG3 GLU 57 2HG GLU 57 4.185 2.475 8.403 443 H LYS 58 H LYS 58 4.425 5.101 4.452 444 HA LYS 58 HA LYS 58 2.986 4.165 2.287 445 HB2 LYS 58 1HB LYS 58 4.273 6.892 2.503 446 HB3 LYS 58 2HB LYS 58 2.878 6.467 1.519 447 HG2 LYS 58 1HG LYS 58 1.787 5.794 3.756 448 HG3 LYS 58 2HG LYS 58 3.071 6.758 4.488 449 HD2 LYS 58 1HD LYS 58 2.267 8.730 3.623 450 HD3 LYS 58 2HD LYS 58 1.485 7.935 2.255 451 HE2 LYS 58 1HE LYS 58 -0.155 6.959 3.873 452 HE3 LYS 58 2HE LYS 58 0.568 7.965 5.127 453 HZ1 LYS 58 1HZ LYS 58 -0.162 9.907 4.086 454 HZ2 LYS 58 2HZ LYS 58 -1.482 8.857 3.961 455 HZ3 LYS 58 3HZ LYS 58 -0.487 9.127 2.621 456 H GLU 59 H GLU 59 6.363 5.101 2.470 457 HA GLU 59 HA GLU 59 6.843 5.110 -0.332 458 HB2 GLU 59 1HB GLU 59 8.262 6.155 1.545 459 HB3 GLU 59 2HB GLU 59 8.934 4.543 1.758 460 HG2 GLU 59 1HG GLU 59 9.362 4.709 -0.817 461 HG3 GLU 59 2HG GLU 59 9.242 6.441 -0.513 462 H LYS 60 H LYS 60 7.150 2.666 2.198 463 HA LYS 60 HA LYS 60 8.407 0.691 0.621 464 HB2 LYS 60 1HB LYS 60 8.512 0.393 2.959 465 HB3 LYS 60 2HB LYS 60 6.774 0.590 3.147 466 HG2 LYS 60 1HG LYS 60 6.528 -1.557 1.828 467 HG3 LYS 60 2HG LYS 60 8.267 -1.769 2.042 468 HD2 LYS 60 1HD LYS 60 7.879 -1.533 4.519 469 HD3 LYS 60 2HD LYS 60 6.148 -1.614 4.179 470 HE2 LYS 60 1HE LYS 60 6.252 -3.824 3.512 471 HE3 LYS 60 2HE LYS 60 7.966 -3.732 3.115 472 HZ1 LYS 60 1HZ LYS 60 7.470 -3.241 5.886 473 HZ2 LYS 60 2HZ LYS 60 8.521 -4.349 5.161 474 HZ3 LYS 60 3HZ LYS 60 6.898 -4.759 5.404 475 H TYR 61 H TYR 61 5.017 1.447 1.247 476 HA TYR 61 HA TYR 61 3.980 -0.823 -0.130 477 HB2 TYR 61 1HB TYR 61 2.819 1.728 0.929 478 HB3 TYR 61 2HB TYR 61 1.860 0.723 -0.151 479 HD1 TYR 61 2HD TYR 61 1.353 -1.647 0.519 480 HD2 TYR 61 1HD TYR 61 3.095 1.153 3.206 481 HE1 TYR 61 2HE TYR 61 0.693 -3.067 2.417 482 HE2 TYR 61 1HE TYR 61 2.442 -0.259 5.111 483 HH TYR 61 HH TYR 61 1.502 -2.161 5.756 484 H ALA 62 H ALA 62 4.679 2.512 -1.030 485 HA ALA 62 HA ALA 62 3.498 2.358 -3.620 486 HB1 ALA 62 1HB ALA 62 4.860 4.336 -2.031 487 HB2 ALA 62 2HB ALA 62 5.450 4.353 -3.692 488 HB3 ALA 62 3HB ALA 62 3.728 4.552 -3.367 489 H GLU 63 H GLU 63 6.844 2.129 -2.437 490 HA GLU 63 HA GLU 63 8.053 1.777 -4.951 491 HB2 GLU 63 1HB GLU 63 9.989 0.955 -3.714 492 HB3 GLU 63 2HB GLU 63 9.313 2.377 -2.933 493 HG2 GLU 63 1HG GLU 63 9.739 0.992 -1.149 494 HG3 GLU 63 2HG GLU 63 8.036 0.673 -1.469 495 H MET 64 H MET 64 6.835 -0.558 -2.581 496 HA MET 64 HA MET 64 7.662 -2.874 -3.973 497 HB2 MET 64 1HB MET 64 6.461 -4.091 -2.393 498 HB3 MET 64 2HB MET 64 6.865 -2.616 -1.525 499 HG2 MET 64 1HG MET 64 4.674 -1.764 -1.760 500 HG3 MET 64 2HG MET 64 4.246 -3.002 -2.938 501 HE1 MET 64 1HE MET 64 4.891 -2.375 1.023 502 HE2 MET 64 2HE MET 64 5.213 -4.060 1.429 503 HE3 MET 64 3HE MET 64 6.261 -3.211 0.293 504 H ALA 65 H ALA 65 4.703 -0.956 -4.050 505 HA ALA 65 HA ALA 65 3.162 -2.698 -5.633 506 HB1 ALA 65 1HB ALA 65 1.704 -1.160 -4.943 507 HB2 ALA 65 2HB ALA 65 2.970 0.039 -4.677 508 HB3 ALA 65 3HB ALA 65 2.275 -0.168 -6.285 509 H ARG 66 H ARG 66 4.981 0.220 -6.594 510 HA ARG 66 HA ARG 66 4.584 -0.027 -9.345 511 HB2 ARG 66 1HB ARG 66 6.591 1.419 -9.569 512 HB3 ARG 66 2HB ARG 66 5.432 2.023 -8.393 513 HG2 ARG 66 1HG ARG 66 6.874 0.852 -6.638 514 HG3 ARG 66 2HG ARG 66 8.095 0.738 -7.907 515 HD2 ARG 66 1HD ARG 66 7.624 3.289 -8.189 516 HD3 ARG 66 2HD ARG 66 6.980 3.157 -6.553 517 HE ARG 66 HE ARG 66 9.379 1.998 -6.291 518 HH11 ARG 66 1HH1 ARG 66 8.407 4.993 -7.776 519 HH12 ARG 66 2HH1 ARG 66 9.904 5.797 -7.440 520 HH21 ARG 66 1HH2 ARG 66 11.355 3.045 -5.844 521 HH22 ARG 66 2HH2 ARG 66 11.581 4.687 -6.342 522 H GLU 67 H GLU 67 7.455 -0.988 -7.454 523 HA GLU 67 HA GLU 67 8.940 -2.160 -9.440 524 HB2 GLU 67 1HB GLU 67 8.647 -2.794 -6.521 525 HB3 GLU 67 2HB GLU 67 9.699 -3.765 -7.540 526 HG2 GLU 67 1HG GLU 67 9.931 -0.779 -7.335 527 HG3 GLU 67 2HG GLU 67 10.793 -1.888 -6.270 528 H TRP 68 H TRP 68 6.291 -3.598 -7.590 529 HA TRP 68 HA TRP 68 6.513 -6.206 -8.626 530 HB2 TRP 68 1HB TRP 68 5.207 -5.798 -6.638 531 HB3 TRP 68 2HB TRP 68 4.128 -4.715 -7.515 532 HD1 TRP 68 HD TRP 68 5.084 -8.468 -7.442 533 HE1 TRP 68 1HE TRP 68 3.026 -9.827 -8.179 534 HE3 TRP 68 3HE TRP 68 1.943 -4.610 -8.615 535 HZ2 TRP 68 2HZ TRP 68 0.416 -9.328 -9.131 536 HZ3 TRP 68 3HZ TRP 68 -0.317 -5.136 -9.433 537 HH2 TRP 68 HH TRP 68 -1.063 -7.446 -9.685 538 H ARG 69 H ARG 69 4.439 -3.485 -9.609 539 HA ARG 69 HA ARG 69 3.149 -4.777 -11.730 540 HB2 ARG 69 1HB ARG 69 3.643 -1.937 -10.973 541 HB3 ARG 69 2HB ARG 69 3.085 -2.266 -12.608 542 HG2 ARG 69 1HG ARG 69 1.623 -3.534 -10.358 543 HG3 ARG 69 2HG ARG 69 1.408 -1.803 -10.626 544 HD2 ARG 69 1HD ARG 69 0.985 -3.976 -12.675 545 HD3 ARG 69 2HD ARG 69 -0.286 -3.120 -11.805 546 HE ARG 69 HE ARG 69 1.353 -1.257 -13.128 547 HH11 ARG 69 1HH1 ARG 69 -1.020 -3.715 -13.798 548 HH12 ARG 69 2HH1 ARG 69 -1.575 -2.964 -15.258 549 HH21 ARG 69 1HH2 ARG 69 0.632 -0.261 -15.049 550 HH22 ARG 69 2HH2 ARG 69 -0.634 -1.001 -15.969 551 H ALA 70 H ALA 70 6.187 -2.979 -11.615 552 HA ALA 70 HA ALA 70 6.688 -2.938 -14.388 553 HB1 ALA 70 1HB ALA 70 8.791 -2.988 -12.237 554 HB2 ALA 70 2HB ALA 70 8.896 -2.268 -13.843 555 HB3 ALA 70 3HB ALA 70 7.838 -1.556 -12.625 556 H ALA 71 H ALA 71 7.888 -5.133 -11.850 557 HA ALA 71 HA ALA 71 9.350 -6.825 -13.540 558 HB1 ALA 71 1HB ALA 71 9.867 -7.879 -11.644 559 HB2 ALA 71 2HB ALA 71 8.895 -6.655 -10.827 560 HB3 ALA 71 3HB ALA 71 8.175 -8.203 -11.268 561 H GLN 72 H GLN 72 5.955 -6.803 -12.636 562 HA GLN 72 HA GLN 72 5.379 -9.349 -13.824 563 HB2 GLN 72 1HB GLN 72 3.664 -7.112 -12.764 564 HB3 GLN 72 2HB GLN 72 2.967 -8.523 -13.550 565 HG2 GLN 72 1HG GLN 72 4.642 -8.492 -11.052 566 HG3 GLN 72 2HG GLN 72 2.913 -8.816 -11.168 567 HE21 GLN 72 1HE2 GLN 72 5.961 -10.168 -11.058 568 HE22 GLN 72 2HE2 GLN 72 5.559 -11.772 -11.563 569 H GLY 73 H GLY 73 5.599 -6.091 -14.937 570 HA2 GLY 73 1HA GLY 73 4.029 -6.586 -17.334 571 HA3 GLY 73 2HA GLY 73 4.842 -5.088 -16.909 572 H LYS 74 H LYS 74 7.266 -5.159 -17.018 573 HA LYS 74 HA LYS 74 8.053 -6.644 -19.429 574 HB2 LYS 74 1HB LYS 74 8.212 -4.208 -19.602 575 HB3 LYS 74 2HB LYS 74 9.255 -4.163 -18.185 576 HG2 LYS 74 1HG LYS 74 10.775 -5.740 -19.582 577 HG3 LYS 74 2HG LYS 74 9.858 -5.107 -20.950 578 HD2 LYS 74 1HD LYS 74 11.118 -3.280 -18.929 579 HD3 LYS 74 2HD LYS 74 12.038 -3.913 -20.297 580 HE2 LYS 74 1HE LYS 74 9.414 -2.471 -20.606 581 HE3 LYS 74 2HE LYS 74 10.971 -1.644 -20.623 582 HZ1 LYS 74 1HZ LYS 74 11.160 -3.784 -22.386 583 HZ2 LYS 74 2HZ LYS 74 11.130 -2.135 -22.761 584 HZ3 LYS 74 3HZ LYS 74 9.688 -3.020 -22.718 585 H ASP 75 H ASP 75 9.761 -8.013 -19.431 586 HA ASP 75 HA ASP 75 11.165 -8.390 -16.867 587 HB2 ASP 75 1HB ASP 75 11.402 -10.757 -17.464 588 HB3 ASP 75 2HB ASP 75 9.706 -10.283 -17.429 589 HA PRO 76 HA PRO 76 14.358 -7.063 -19.917 590 HB2 PRO 76 1HB PRO 76 15.769 -5.593 -18.122 591 HB3 PRO 76 2HB PRO 76 14.381 -4.953 -19.008 592 HG2 PRO 76 1HG PRO 76 14.518 -6.016 -16.212 593 HG3 PRO 76 2HG PRO 76 13.675 -4.580 -16.825 594 HD2 PRO 76 1HD PRO 76 12.398 -6.914 -16.320 595 HD3 PRO 76 2HD PRO 76 11.891 -5.809 -17.613 596 H GLY 77 H GLY 77 14.163 -9.160 -17.384 597 HA2 GLY 77 1HA GLY 77 16.205 -10.812 -17.955 598 HA3 GLY 77 2HA GLY 77 17.002 -9.588 -16.977 599 HA PRO 78 HA PRO 78 14.919 -12.960 -14.361 600 HB2 PRO 78 1HB PRO 78 17.170 -14.230 -13.531 601 HB3 PRO 78 2HB PRO 78 16.286 -14.697 -14.989 602 HG2 PRO 78 1HG PRO 78 18.754 -13.022 -14.725 603 HG3 PRO 78 2HG PRO 78 18.388 -14.299 -15.900 604 HD2 PRO 78 1HD PRO 78 18.171 -11.666 -16.495 605 HD3 PRO 78 2HD PRO 78 17.116 -12.899 -17.215 606 H SER 79 H SER 79 14.372 -12.034 -12.497 607 HA SER 79 HA SER 79 16.370 -10.461 -11.035 608 HB2 SER 79 1HB SER 79 14.430 -9.530 -9.806 609 HB3 SER 79 2HB SER 79 14.286 -9.295 -11.548 610 HG SER 79 HG SER 79 12.730 -10.809 -11.642 611 H GLU 80 H GLU 80 17.037 -10.976 -9.015 612 HA GLU 80 HA GLU 80 15.667 -12.765 -7.289 613 HB2 GLU 80 1HB GLU 80 17.293 -14.610 -7.310 614 HB3 GLU 80 2HB GLU 80 16.470 -14.446 -8.855 615 HG2 GLU 80 1HG GLU 80 18.391 -13.376 -9.825 616 HG3 GLU 80 2HG GLU 80 19.213 -13.359 -8.265 617 H LYS 81 H LYS 81 16.753 -13.060 -5.259 618 HA LYS 81 HA LYS 81 18.255 -10.782 -4.472 619 HB2 LYS 81 1HB LYS 81 18.286 -11.783 -2.266 620 HB3 LYS 81 2HB LYS 81 16.687 -11.975 -2.973 621 HG2 LYS 81 1HG LYS 81 17.655 -14.296 -3.731 622 HG3 LYS 81 2HG LYS 81 18.764 -14.021 -2.386 623 HD2 LYS 81 1HD LYS 81 17.075 -14.084 -0.809 624 HD3 LYS 81 2HD LYS 81 15.827 -13.647 -1.978 625 HE2 LYS 81 1HE LYS 81 15.832 -15.821 -2.924 626 HE3 LYS 81 2HE LYS 81 17.307 -16.266 -2.066 627 HZ1 LYS 81 1HZ LYS 81 15.711 -15.652 -0.029 628 HZ2 LYS 81 2HZ LYS 81 15.853 -17.214 -0.662 629 HZ3 LYS 81 3HZ LYS 81 14.562 -16.227 -1.130 630 H GLN 82 H GLN 82 20.282 -11.208 -3.005 631 HA GLN 82 HA GLN 82 22.255 -12.443 -4.744 632 HB2 GLN 82 1HB GLN 82 22.492 -10.729 -2.273 633 HB3 GLN 82 2HB GLN 82 23.881 -11.427 -3.095 634 HG2 GLN 82 1HG GLN 82 21.948 -9.804 -4.670 635 HG3 GLN 82 2HG GLN 82 23.085 -8.983 -3.601 636 HE21 GLN 82 1HE2 GLN 82 23.769 -8.094 -5.718 637 HE22 GLN 82 2HE2 GLN 82 24.964 -8.966 -6.610 638 H LYS 83 H LYS 83 20.743 -12.970 -1.650 639 HA LYS 83 HA LYS 83 21.673 -15.666 -1.547 640 HB2 LYS 83 1HB LYS 83 22.903 -15.495 0.581 641 HB3 LYS 83 2HB LYS 83 23.697 -14.608 -0.712 642 HG2 LYS 83 1HG LYS 83 22.350 -12.585 0.249 643 HG3 LYS 83 2HG LYS 83 22.291 -13.584 1.703 644 HD2 LYS 83 1HD LYS 83 24.620 -13.583 1.936 645 HD3 LYS 83 2HD LYS 83 24.876 -13.063 0.269 646 HE2 LYS 83 1HE LYS 83 24.340 -10.866 0.735 647 HE3 LYS 83 2HE LYS 83 23.390 -11.291 2.157 648 HZ1 LYS 83 1HZ LYS 83 25.798 -10.256 2.333 649 HZ2 LYS 83 2HZ LYS 83 26.246 -11.884 2.233 650 HZ3 LYS 83 3HZ LYS 83 25.216 -11.364 3.471 651 HA PRO 84 HA PRO 84 17.909 -15.978 0.715 652 HB2 PRO 84 1HB PRO 84 18.278 -18.424 1.834 653 HB3 PRO 84 2HB PRO 84 17.910 -18.197 0.120 654 HG2 PRO 84 1HG PRO 84 20.551 -18.685 1.442 655 HG3 PRO 84 2HG PRO 84 19.898 -19.394 -0.046 656 HD2 PRO 84 1HD PRO 84 21.687 -17.362 -0.063 657 HD3 PRO 84 2HD PRO 84 20.440 -17.545 -1.313 658 H VAL 85 H VAL 85 17.693 -14.648 2.421 659 HA VAL 85 HA VAL 85 19.279 -15.211 4.839 660 HB VAL 85 HB VAL 85 19.653 -12.966 3.930 661 HG11 VAL 85 1HG1 VAL 85 17.887 -11.318 3.841 662 HG12 VAL 85 2HG1 VAL 85 17.448 -12.710 2.848 663 HG13 VAL 85 3HG1 VAL 85 16.718 -12.495 4.440 664 HG21 VAL 85 1HG2 VAL 85 19.842 -13.256 6.319 665 HG22 VAL 85 2HG2 VAL 85 19.123 -11.682 5.977 666 HG23 VAL 85 3HG2 VAL 85 18.106 -13.018 6.519 667 H PHE 86 H PHE 86 18.263 -15.284 6.848 668 HA PHE 86 HA PHE 86 15.324 -15.291 6.833 669 HB2 PHE 86 1HB PHE 86 16.958 -17.346 8.321 670 HB3 PHE 86 2HB PHE 86 15.216 -17.329 8.068 671 HD1 PHE 86 1HD PHE 86 18.453 -17.625 6.279 672 HD2 PHE 86 2HD PHE 86 14.274 -18.433 6.249 673 HE1 PHE 86 1HE PHE 86 18.738 -19.012 4.266 674 HE2 PHE 86 2HE PHE 86 14.554 -19.823 4.238 675 HZ PHE 86 HZ PHE 86 16.788 -20.114 3.245 676 H THR 87 H THR 87 14.408 -15.219 9.067 677 HA THR 87 HA THR 87 15.945 -13.306 10.654 678 HB THR 87 HB THR 87 13.800 -12.925 11.862 679 HG1 THR 87 1HG THR 87 12.198 -14.264 11.549 680 HG21 THR 87 1HG2 THR 87 12.978 -11.486 10.270 681 HG22 THR 87 2HG2 THR 87 13.159 -12.657 8.963 682 HG23 THR 87 3HG2 THR 87 14.573 -11.820 9.598 683 H SER 88 H SER 88 14.164 -16.351 11.049 684 HA SER 88 HA SER 88 15.056 -16.634 13.788 685 HB2 SER 88 1HB SER 88 12.867 -17.455 13.410 686 HB3 SER 88 2HB SER 88 13.359 -18.330 11.961 687 HG SER 88 HG SER 88 14.564 -18.991 14.398 688 H GLY 89 H GLY 89 17.308 -16.761 13.603 689 HA2 GLY 89 1HA GLY 89 18.321 -19.176 12.237 690 HA3 GLY 89 2HA GLY 89 19.264 -17.716 12.496 691 HA PRO 90 HA PRO 90 20.979 -19.570 16.084 692 HB2 PRO 90 1HB PRO 90 21.687 -17.343 17.468 693 HB3 PRO 90 2HB PRO 90 22.551 -17.896 16.028 694 HG2 PRO 90 1HG PRO 90 20.474 -15.756 16.283 695 HG3 PRO 90 2HG PRO 90 21.987 -15.742 15.359 696 HD2 PRO 90 1HD PRO 90 19.580 -16.206 14.208 697 HD3 PRO 90 2HD PRO 90 21.080 -16.949 13.617 698 H SER 91 H SER 91 19.520 -20.595 17.348 699 HA SER 91 HA SER 91 18.298 -19.080 19.503 700 HB2 SER 91 1HB SER 91 16.053 -19.814 19.109 701 HB3 SER 91 2HB SER 91 16.634 -19.119 17.596 702 HG SER 91 HG SER 91 17.283 -21.527 17.283 703 H SER 92 H SER 92 17.449 -20.463 21.209 704 HA SER 92 HA SER 92 19.183 -22.568 21.850 705 HB2 SER 92 1HB SER 92 18.101 -21.401 23.633 706 HB3 SER 92 2HB SER 92 16.501 -21.768 22.989 707 HG SER 92 HG SER 92 18.343 -23.502 24.244 708 H GLY 93 H GLY 93 15.811 -22.629 20.718 709 HA2 GLY 93 1HA GLY 93 16.290 -25.321 19.660 710 HA3 GLY 93 2HA GLY 93 14.957 -25.107 20.786 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -13.624 19.346 13.927 2 HA2 GLY 1 1HA GLY 1 -13.722 17.536 12.388 3 HA3 GLY 1 2HA GLY 1 -14.634 16.614 13.574 4 H SER 2 H SER 2 -16.587 16.195 12.799 5 HA SER 2 HA SER 2 -18.654 16.463 11.885 6 HB2 SER 2 1HB SER 2 -18.009 19.289 12.686 7 HB3 SER 2 2HB SER 2 -19.499 18.919 11.817 8 HG SER 2 HG SER 2 -19.516 18.880 14.231 9 H SER 3 H SER 3 -16.536 16.167 10.118 10 HA SER 3 HA SER 3 -17.645 17.462 7.760 11 HB2 SER 3 1HB SER 3 -15.927 19.041 8.298 12 HB3 SER 3 2HB SER 3 -14.760 17.757 8.613 13 HG SER 3 HG SER 3 -14.589 18.820 6.515 14 H GLY 4 H GLY 4 -17.874 16.002 6.201 15 HA2 GLY 4 1HA GLY 4 -15.913 14.151 5.410 16 HA3 GLY 4 2HA GLY 4 -17.049 13.332 6.471 17 H SER 5 H SER 5 -17.391 15.759 3.882 18 HA SER 5 HA SER 5 -19.758 14.453 2.898 19 HB2 SER 5 1HB SER 5 -19.719 16.846 2.775 20 HB3 SER 5 2HB SER 5 -18.176 16.837 1.920 21 HG SER 5 HG SER 5 -19.486 16.976 0.254 22 H SER 6 H SER 6 -19.656 12.681 1.698 23 HA SER 6 HA SER 6 -17.294 12.141 0.077 24 HB2 SER 6 1HB SER 6 -18.401 9.907 -0.272 25 HB3 SER 6 2HB SER 6 -18.052 10.292 1.415 26 HG SER 6 HG SER 6 -20.354 9.595 0.431 27 H GLY 7 H GLY 7 -17.232 12.833 -1.951 28 HA2 GLY 7 1HA GLY 7 -19.331 12.266 -3.800 29 HA3 GLY 7 2HA GLY 7 -19.285 13.974 -3.393 30 H MET 8 H MET 8 -16.814 11.487 -4.056 31 HA MET 8 HA MET 8 -15.618 13.360 -5.991 32 HB2 MET 8 1HB MET 8 -13.471 12.176 -5.538 33 HB3 MET 8 2HB MET 8 -14.121 13.020 -4.138 34 HG2 MET 8 1HG MET 8 -15.042 10.869 -3.330 35 HG3 MET 8 2HG MET 8 -14.247 10.065 -4.681 36 HE1 MET 8 1HE MET 8 -14.425 10.767 -1.410 37 HE2 MET 8 2HE MET 8 -12.997 9.901 -0.842 38 HE3 MET 8 3HE MET 8 -13.013 11.665 -0.849 39 HA PRO 9 HA PRO 9 -16.406 10.410 -9.162 40 HB2 PRO 9 1HB PRO 9 -14.517 11.185 -10.950 41 HB3 PRO 9 2HB PRO 9 -15.987 12.116 -10.643 42 HG2 PRO 9 1HG PRO 9 -13.222 12.539 -9.578 43 HG3 PRO 9 2HG PRO 9 -14.381 13.734 -10.187 44 HD2 PRO 9 1HD PRO 9 -13.990 13.299 -7.544 45 HD3 PRO 9 2HD PRO 9 -15.564 13.780 -8.209 46 H ASN 10 H ASN 10 -13.688 10.388 -7.226 47 HA ASN 10 HA ASN 10 -11.746 8.876 -8.305 48 HB2 ASN 10 1HB ASN 10 -12.251 9.580 -5.801 49 HB3 ASN 10 2HB ASN 10 -12.803 7.912 -5.683 50 HD21 ASN 10 1HD2 ASN 10 -10.794 8.521 -4.115 51 HD22 ASN 10 2HD2 ASN 10 -9.295 7.897 -4.704 52 H ARG 11 H ARG 11 -12.224 7.424 -9.884 53 HA ARG 11 HA ARG 11 -13.954 5.155 -9.151 54 HB2 ARG 11 1HB ARG 11 -13.478 6.601 -11.706 55 HB3 ARG 11 2HB ARG 11 -13.765 4.869 -11.800 56 HG2 ARG 11 1HG ARG 11 -15.631 6.519 -10.182 57 HG3 ARG 11 2HG ARG 11 -15.736 6.602 -11.942 58 HD2 ARG 11 1HD ARG 11 -17.190 4.881 -11.501 59 HD3 ARG 11 2HD ARG 11 -15.691 3.991 -11.762 60 HE ARG 11 HE ARG 11 -15.927 4.610 -9.033 61 HH11 ARG 11 1HH1 ARG 11 -17.392 2.593 -11.463 62 HH12 ARG 11 2HH1 ARG 11 -17.885 1.372 -10.338 63 HH21 ARG 11 1HH2 ARG 11 -16.572 3.009 -7.543 64 HH22 ARG 11 2HH2 ARG 11 -17.419 1.610 -8.108 65 H LYS 12 H LYS 12 -13.289 3.182 -10.695 66 HA LYS 12 HA LYS 12 -11.182 1.881 -9.693 67 HB2 LYS 12 1HB LYS 12 -12.199 1.855 -12.527 68 HB3 LYS 12 2HB LYS 12 -10.932 0.760 -11.988 69 HG2 LYS 12 1HG LYS 12 -12.565 0.066 -10.149 70 HG3 LYS 12 2HG LYS 12 -13.795 0.886 -11.114 71 HD2 LYS 12 1HD LYS 12 -13.933 -1.306 -11.866 72 HD3 LYS 12 2HD LYS 12 -12.876 -0.553 -13.063 73 HE2 LYS 12 1HE LYS 12 -10.921 -1.401 -11.804 74 HE3 LYS 12 2HE LYS 12 -12.022 -2.225 -10.701 75 HZ1 LYS 12 1HZ LYS 12 -12.784 -3.616 -12.440 76 HZ2 LYS 12 2HZ LYS 12 -11.095 -3.635 -12.516 77 HZ3 LYS 12 3HZ LYS 12 -11.981 -2.715 -13.625 78 H ALA 13 H ALA 13 -9.275 2.828 -9.236 79 HA ALA 13 HA ALA 13 -7.814 4.118 -11.445 80 HB1 ALA 13 1HB ALA 13 -7.847 4.601 -8.498 81 HB2 ALA 13 2HB ALA 13 -6.414 5.017 -9.438 82 HB3 ALA 13 3HB ALA 13 -7.968 5.753 -9.828 83 H SER 14 H SER 14 -5.487 3.786 -11.518 84 HA SER 14 HA SER 14 -4.751 1.111 -11.554 85 HB2 SER 14 1HB SER 14 -3.627 3.202 -12.641 86 HB3 SER 14 2HB SER 14 -2.691 3.260 -11.147 87 HG SER 14 HG SER 14 -2.904 0.980 -12.824 88 H ARG 15 H ARG 15 -3.129 -0.023 -10.287 89 HA ARG 15 HA ARG 15 -3.679 0.130 -7.498 90 HB2 ARG 15 1HB ARG 15 -1.712 -1.500 -9.102 91 HB3 ARG 15 2HB ARG 15 -1.880 -1.652 -7.359 92 HG2 ARG 15 1HG ARG 15 -4.061 -2.500 -7.533 93 HG3 ARG 15 2HG ARG 15 -4.209 -1.996 -9.218 94 HD2 ARG 15 1HD ARG 15 -2.249 -4.065 -8.237 95 HD3 ARG 15 2HD ARG 15 -3.841 -4.447 -8.891 96 HE ARG 15 HE ARG 15 -1.503 -3.633 -10.366 97 HH11 ARG 15 1HH1 ARG 15 -4.976 -3.879 -10.371 98 HH12 ARG 15 2HH1 ARG 15 -5.102 -3.886 -12.099 99 HH21 ARG 15 1HH2 ARG 15 -1.657 -3.640 -12.642 100 HH22 ARG 15 2HH2 ARG 15 -3.215 -3.750 -13.390 101 H ASN 16 H ASN 16 -2.650 1.205 -5.939 102 HA ASN 16 HA ASN 16 0.086 2.147 -6.417 103 HB2 ASN 16 1HB ASN 16 -2.254 3.840 -5.530 104 HB3 ASN 16 2HB ASN 16 -0.576 4.337 -5.326 105 HD21 ASN 16 1HD2 ASN 16 0.733 4.064 -7.435 106 HD22 ASN 16 2HD2 ASN 16 -0.021 4.701 -8.853 107 H ALA 17 H ALA 17 0.916 3.206 -4.269 108 HA ALA 17 HA ALA 17 1.379 1.354 -2.380 109 HB1 ALA 17 1HB ALA 17 1.234 4.317 -2.251 110 HB2 ALA 17 2HB ALA 17 1.391 3.429 -0.737 111 HB3 ALA 17 3HB ALA 17 2.606 3.238 -2.001 112 H TYR 18 H TYR 18 -1.376 3.602 -2.316 113 HA TYR 18 HA TYR 18 -2.496 2.735 0.095 114 HB2 TYR 18 1HB TYR 18 -3.152 4.804 -1.124 115 HB3 TYR 18 2HB TYR 18 -3.974 3.805 -2.318 116 HD1 TYR 18 2HD TYR 18 -3.910 4.434 1.363 117 HD2 TYR 18 1HD TYR 18 -6.229 3.357 -2.038 118 HE1 TYR 18 2HE TYR 18 -5.944 4.467 2.746 119 HE2 TYR 18 1HE TYR 18 -8.269 3.388 -0.665 120 HH TYR 18 HH TYR 18 -8.977 3.273 1.584 121 H TYR 19 H TYR 19 -3.076 1.650 -3.232 122 HA TYR 19 HA TYR 19 -5.139 -0.147 -2.742 123 HB2 TYR 19 1HB TYR 19 -4.498 0.475 -5.000 124 HB3 TYR 19 2HB TYR 19 -2.928 -0.293 -4.799 125 HD1 TYR 19 1HD TYR 19 -2.735 -2.741 -4.770 126 HD2 TYR 19 2HD TYR 19 -6.470 -0.825 -5.464 127 HE1 TYR 19 1HE TYR 19 -3.651 -4.854 -5.633 128 HE2 TYR 19 2HE TYR 19 -7.397 -2.932 -6.328 129 HH TYR 19 HH TYR 19 -6.690 -5.014 -7.248 130 H PHE 20 H PHE 20 -1.633 -0.656 -2.638 131 HA PHE 20 HA PHE 20 -1.706 -3.417 -2.097 132 HB2 PHE 20 1HB PHE 20 0.321 -1.254 -1.847 133 HB3 PHE 20 2HB PHE 20 0.616 -2.744 -0.957 134 HD1 PHE 20 2HD PHE 20 -0.371 -1.605 -4.368 135 HD2 PHE 20 1HD PHE 20 1.765 -4.430 -2.008 136 HE1 PHE 20 2HE PHE 20 0.505 -2.649 -6.417 137 HE2 PHE 20 1HE PHE 20 2.646 -5.478 -4.053 138 HZ PHE 20 HZ PHE 20 2.015 -4.588 -6.261 139 H PHE 21 H PHE 21 -1.679 -0.594 0.030 140 HA PHE 21 HA PHE 21 -1.425 -1.993 2.462 141 HB2 PHE 21 1HB PHE 21 -0.997 0.372 2.411 142 HB3 PHE 21 2HB PHE 21 -2.625 0.707 1.829 143 HD1 PHE 21 1HD PHE 21 -0.705 -0.543 4.735 144 HD2 PHE 21 2HD PHE 21 -4.397 1.038 3.324 145 HE1 PHE 21 1HE PHE 21 -1.472 -0.269 7.057 146 HE2 PHE 21 2HE PHE 21 -5.169 1.314 5.644 147 HZ PHE 21 HZ PHE 21 -3.705 0.662 7.514 148 H VAL 22 H VAL 22 -4.335 -0.571 0.963 149 HA VAL 22 HA VAL 22 -6.205 -1.552 2.763 150 HB VAL 22 HB VAL 22 -6.542 -1.050 -0.196 151 HG11 VAL 22 1HG1 VAL 22 -8.541 -1.603 1.976 152 HG12 VAL 22 2HG1 VAL 22 -8.976 -0.740 0.499 153 HG13 VAL 22 3HG1 VAL 22 -8.371 -2.394 0.410 154 HG21 VAL 22 1HG2 VAL 22 -7.561 0.776 1.917 155 HG22 VAL 22 2HG2 VAL 22 -5.832 0.790 1.566 156 HG23 VAL 22 3HG2 VAL 22 -6.995 1.137 0.286 157 H GLN 23 H GLN 23 -4.475 -3.190 0.255 158 HA GLN 23 HA GLN 23 -6.255 -5.410 0.002 159 HB2 GLN 23 1HB GLN 23 -4.568 -4.681 -1.722 160 HB3 GLN 23 2HB GLN 23 -3.315 -5.337 -0.677 161 HG2 GLN 23 1HG GLN 23 -3.723 -7.012 -2.244 162 HG3 GLN 23 2HG GLN 23 -4.584 -7.534 -0.797 163 HE21 GLN 23 1HE2 GLN 23 -5.312 -5.311 -3.469 164 HE22 GLN 23 2HE2 GLN 23 -6.833 -6.023 -3.872 165 H GLU 24 H GLU 24 -3.228 -4.843 1.765 166 HA GLU 24 HA GLU 24 -3.177 -7.459 2.920 167 HB2 GLU 24 1HB GLU 24 -1.644 -4.923 3.425 168 HB3 GLU 24 2HB GLU 24 -1.445 -6.329 4.460 169 HG2 GLU 24 1HG GLU 24 0.270 -6.568 2.939 170 HG3 GLU 24 2HG GLU 24 -0.989 -7.601 2.266 171 H LYS 25 H LYS 25 -5.316 -5.105 3.386 172 HA LYS 25 HA LYS 25 -5.556 -5.576 6.285 173 HB2 LYS 25 1HB LYS 25 -6.537 -3.284 4.580 174 HB3 LYS 25 2HB LYS 25 -7.005 -3.516 6.260 175 HG2 LYS 25 1HG LYS 25 -4.113 -3.399 5.536 176 HG3 LYS 25 2HG LYS 25 -5.055 -1.910 5.657 177 HD2 LYS 25 1HD LYS 25 -5.404 -2.156 7.920 178 HD3 LYS 25 2HD LYS 25 -5.205 -3.909 7.867 179 HE2 LYS 25 1HE LYS 25 -2.928 -2.027 7.322 180 HE3 LYS 25 2HE LYS 25 -3.344 -2.541 8.958 181 HZ1 LYS 25 1HZ LYS 25 -1.845 -3.916 7.021 182 HZ2 LYS 25 2HZ LYS 25 -3.232 -4.821 7.359 183 HZ3 LYS 25 3HZ LYS 25 -2.185 -4.378 8.612 184 H ILE 26 H ILE 26 -7.143 -5.784 3.195 185 HA ILE 26 HA ILE 26 -9.771 -6.001 3.635 186 HB ILE 26 HB ILE 26 -7.936 -7.584 1.928 187 HG12 ILE 26 1HG1 ILE 26 -10.555 -6.278 1.211 188 HG13 ILE 26 2HG1 ILE 26 -9.077 -5.340 1.402 189 HG21 ILE 26 1HG2 ILE 26 -10.773 -8.420 2.496 190 HG22 ILE 26 2HG2 ILE 26 -9.854 -8.949 1.088 191 HG23 ILE 26 3HG2 ILE 26 -9.306 -9.376 2.709 192 HD11 ILE 26 1HD1 ILE 26 -8.952 -7.694 -0.380 193 HD12 ILE 26 2HD1 ILE 26 -9.879 -6.301 -0.937 194 HD13 ILE 26 3HD1 ILE 26 -8.176 -6.117 -0.519 195 HA PRO 27 HA PRO 27 -9.497 -10.469 5.455 196 HB2 PRO 27 1HB PRO 27 -7.030 -11.409 6.086 197 HB3 PRO 27 2HB PRO 27 -7.765 -11.635 4.496 198 HG2 PRO 27 1HG PRO 27 -5.742 -9.612 5.378 199 HG3 PRO 27 2HG PRO 27 -5.793 -10.564 3.883 200 HD2 PRO 27 1HD PRO 27 -6.590 -7.979 3.991 201 HD3 PRO 27 2HD PRO 27 -7.330 -9.161 2.893 202 H GLU 28 H GLU 28 -7.406 -7.916 6.549 203 HA GLU 28 HA GLU 28 -7.236 -8.746 9.271 204 HB2 GLU 28 1HB GLU 28 -5.589 -7.225 8.287 205 HB3 GLU 28 2HB GLU 28 -6.840 -6.017 8.032 206 HG2 GLU 28 1HG GLU 28 -7.177 -5.894 10.469 207 HG3 GLU 28 2HG GLU 28 -5.853 -7.037 10.684 208 H LEU 29 H LEU 29 -9.475 -6.800 7.417 209 HA LEU 29 HA LEU 29 -10.878 -5.848 9.758 210 HB2 LEU 29 1HB LEU 29 -11.440 -5.633 6.808 211 HB3 LEU 29 2HB LEU 29 -12.490 -4.954 8.051 212 HG LEU 29 HG LEU 29 -9.600 -4.172 7.702 213 HD11 LEU 29 1HD1 LEU 29 -10.436 -3.353 5.740 214 HD12 LEU 29 2HD1 LEU 29 -10.838 -2.023 6.825 215 HD13 LEU 29 3HD1 LEU 29 -12.075 -3.194 6.372 216 HD21 LEU 29 1HD2 LEU 29 -10.918 -3.849 9.910 217 HD22 LEU 29 2HD2 LEU 29 -11.753 -2.571 9.027 218 HD23 LEU 29 3HD2 LEU 29 -10.004 -2.494 9.245 219 H ARG 30 H ARG 30 -11.335 -8.278 7.243 220 HA ARG 30 HA ARG 30 -13.935 -9.038 7.633 221 HB2 ARG 30 1HB ARG 30 -11.466 -10.586 6.935 222 HB3 ARG 30 2HB ARG 30 -12.989 -11.434 7.167 223 HG2 ARG 30 1HG ARG 30 -14.020 -10.186 5.397 224 HG3 ARG 30 2HG ARG 30 -12.592 -9.163 5.233 225 HD2 ARG 30 1HD ARG 30 -12.311 -10.679 3.510 226 HD3 ARG 30 2HD ARG 30 -11.351 -11.398 4.802 227 HE ARG 30 HE ARG 30 -12.746 -13.193 4.739 228 HH11 ARG 30 1HH1 ARG 30 -14.431 -10.447 3.420 229 HH12 ARG 30 2HH1 ARG 30 -15.843 -11.356 2.990 230 HH21 ARG 30 1HH2 ARG 30 -14.598 -14.400 4.176 231 HH22 ARG 30 2HH2 ARG 30 -15.937 -13.603 3.421 232 H ARG 31 H ARG 31 -11.107 -10.173 9.467 233 HA ARG 31 HA ARG 31 -12.585 -11.842 11.215 234 HB2 ARG 31 1HB ARG 31 -10.535 -11.892 12.573 235 HB3 ARG 31 2HB ARG 31 -10.195 -12.163 10.869 236 HG2 ARG 31 1HG ARG 31 -9.491 -9.824 10.648 237 HG3 ARG 31 2HG ARG 31 -9.798 -9.582 12.369 238 HD2 ARG 31 1HD ARG 31 -7.545 -10.010 12.393 239 HD3 ARG 31 2HD ARG 31 -8.190 -11.634 12.628 240 HE ARG 31 HE ARG 31 -7.927 -11.365 9.917 241 HH11 ARG 31 1HH1 ARG 31 -5.798 -11.099 12.659 242 HH12 ARG 31 2HH1 ARG 31 -4.394 -11.612 11.784 243 HH21 ARG 31 1HH2 ARG 31 -6.085 -12.042 8.755 244 HH22 ARG 31 2HH2 ARG 31 -4.558 -12.148 9.562 245 H ARG 32 H ARG 32 -11.543 -8.480 11.376 246 HA ARG 32 HA ARG 32 -12.085 -7.929 14.042 247 HB2 ARG 32 1HB ARG 32 -12.135 -6.268 11.547 248 HB3 ARG 32 2HB ARG 32 -12.659 -5.571 13.074 249 HG2 ARG 32 1HG ARG 32 -10.352 -6.559 13.903 250 HG3 ARG 32 2HG ARG 32 -9.953 -6.396 12.192 251 HD2 ARG 32 1HD ARG 32 -9.320 -4.334 12.963 252 HD3 ARG 32 2HD ARG 32 -10.993 -4.006 12.510 253 HE ARG 32 HE ARG 32 -11.437 -3.580 14.703 254 HH11 ARG 32 1HH1 ARG 32 -8.553 -5.521 14.515 255 HH12 ARG 32 2HH1 ARG 32 -8.236 -5.445 16.217 256 HH21 ARG 32 1HH2 ARG 32 -11.029 -3.473 16.943 257 HH22 ARG 32 2HH2 ARG 32 -9.644 -4.281 17.598 258 H GLY 33 H GLY 33 -14.269 -8.001 11.264 259 HA2 GLY 33 1HA GLY 33 -16.544 -8.835 11.771 260 HA3 GLY 33 2HA GLY 33 -16.525 -7.757 13.159 261 H LEU 34 H LEU 34 -15.531 -7.186 9.797 262 HA LEU 34 HA LEU 34 -17.665 -5.170 9.593 263 HB2 LEU 34 1HB LEU 34 -14.780 -4.908 8.773 264 HB3 LEU 34 2HB LEU 34 -16.047 -3.805 8.237 265 HG LEU 34 HG LEU 34 -15.342 -4.241 11.135 266 HD11 LEU 34 1HD1 LEU 34 -13.419 -3.210 10.592 267 HD12 LEU 34 2HD1 LEU 34 -14.431 -1.766 10.569 268 HD13 LEU 34 3HD1 LEU 34 -14.051 -2.600 9.062 269 HD21 LEU 34 1HD2 LEU 34 -16.705 -1.866 9.914 270 HD22 LEU 34 2HD2 LEU 34 -16.708 -2.412 11.592 271 HD23 LEU 34 3HD2 LEU 34 -17.617 -3.305 10.372 272 HA PRO 35 HA PRO 35 -18.697 -7.186 5.818 273 HB2 PRO 35 1HB PRO 35 -20.037 -5.161 4.603 274 HB3 PRO 35 2HB PRO 35 -20.708 -6.083 5.955 275 HG2 PRO 35 1HG PRO 35 -19.384 -3.398 5.965 276 HG3 PRO 35 2HG PRO 35 -20.839 -3.931 6.827 277 HD2 PRO 35 1HD PRO 35 -18.420 -3.746 8.029 278 HD3 PRO 35 2HD PRO 35 -19.627 -4.962 8.494 279 H VAL 36 H VAL 36 -16.471 -7.327 5.082 280 HA VAL 36 HA VAL 36 -15.924 -5.435 2.895 281 HB VAL 36 HB VAL 36 -13.424 -6.030 3.457 282 HG11 VAL 36 1HG1 VAL 36 -13.470 -4.036 5.110 283 HG12 VAL 36 2HG1 VAL 36 -13.993 -3.782 3.443 284 HG13 VAL 36 3HG1 VAL 36 -15.190 -3.973 4.724 285 HG21 VAL 36 1HG2 VAL 36 -12.923 -6.473 5.699 286 HG22 VAL 36 2HG2 VAL 36 -14.559 -6.089 6.236 287 HG23 VAL 36 3HG2 VAL 36 -14.254 -7.571 5.329 288 H ALA 37 H ALA 37 -15.748 -6.416 0.996 289 HA ALA 37 HA ALA 37 -15.014 -9.271 0.953 290 HB1 ALA 37 1HB ALA 37 -17.075 -7.738 -0.554 291 HB2 ALA 37 2HB ALA 37 -16.301 -9.119 -1.333 292 HB3 ALA 37 3HB ALA 37 -17.171 -9.337 0.185 293 H ARG 38 H ARG 38 -14.521 -6.112 -0.446 294 HA ARG 38 HA ARG 38 -12.153 -7.147 -1.830 295 HB2 ARG 38 1HB ARG 38 -12.634 -5.878 -3.831 296 HB3 ARG 38 2HB ARG 38 -13.989 -6.946 -3.486 297 HG2 ARG 38 1HG ARG 38 -15.205 -5.054 -2.497 298 HG3 ARG 38 2HG ARG 38 -13.857 -3.994 -2.911 299 HD2 ARG 38 1HD ARG 38 -15.357 -5.636 -4.939 300 HD3 ARG 38 2HD ARG 38 -15.795 -3.980 -4.522 301 HE ARG 38 HE ARG 38 -13.947 -3.220 -5.675 302 HH11 ARG 38 1HH1 ARG 38 -13.839 -6.688 -5.385 303 HH12 ARG 38 2HH1 ARG 38 -12.546 -6.873 -6.523 304 HH21 ARG 38 1HH2 ARG 38 -12.244 -3.450 -7.174 305 HH22 ARG 38 2HH2 ARG 38 -11.639 -5.031 -7.540 306 H VAL 39 H VAL 39 -10.830 -5.187 -2.693 307 HA VAL 39 HA VAL 39 -9.959 -3.689 -0.512 308 HB VAL 39 HB VAL 39 -9.600 -3.054 -3.444 309 HG11 VAL 39 1HG1 VAL 39 -8.147 -1.417 -2.904 310 HG12 VAL 39 2HG1 VAL 39 -9.071 -1.370 -1.401 311 HG13 VAL 39 3HG1 VAL 39 -7.553 -2.267 -1.478 312 HG21 VAL 39 1HG2 VAL 39 -7.587 -4.310 -3.357 313 HG22 VAL 39 2HG2 VAL 39 -7.701 -4.501 -1.607 314 HG23 VAL 39 3HG2 VAL 39 -8.848 -5.328 -2.661 315 H ALA 40 H ALA 40 -12.077 -2.747 -3.200 316 HA ALA 40 HA ALA 40 -12.405 -0.065 -2.638 317 HB1 ALA 40 1HB ALA 40 -13.353 -1.540 -4.560 318 HB2 ALA 40 2HB ALA 40 -14.758 -1.689 -3.504 319 HB3 ALA 40 3HB ALA 40 -14.230 -0.097 -4.049 320 H ASP 41 H ASP 41 -13.852 -2.846 -1.071 321 HA ASP 41 HA ASP 41 -15.743 -1.313 0.450 322 HB2 ASP 41 1HB ASP 41 -14.865 -4.173 0.400 323 HB3 ASP 41 2HB ASP 41 -15.763 -3.579 1.795 324 H ALA 42 H ALA 42 -12.551 -2.699 1.025 325 HA ALA 42 HA ALA 42 -12.521 -1.827 3.787 326 HB1 ALA 42 1HB ALA 42 -10.863 -3.535 2.080 327 HB2 ALA 42 2HB ALA 42 -9.959 -2.573 3.250 328 HB3 ALA 42 3HB ALA 42 -11.233 -3.662 3.800 329 H ILE 43 H ILE 43 -12.305 -0.179 1.022 330 HA ILE 43 HA ILE 43 -9.946 1.327 1.201 331 HB ILE 43 HB ILE 43 -12.568 1.682 -0.140 332 HG12 ILE 43 1HG1 ILE 43 -9.671 1.880 -0.991 333 HG13 ILE 43 2HG1 ILE 43 -10.771 0.538 -1.290 334 HG21 ILE 43 1HG2 ILE 43 -11.795 3.976 -0.909 335 HG22 ILE 43 2HG2 ILE 43 -12.435 3.864 0.729 336 HG23 ILE 43 3HG2 ILE 43 -10.693 3.951 0.467 337 HD11 ILE 43 1HD1 ILE 43 -10.434 3.054 -2.731 338 HD12 ILE 43 2HD1 ILE 43 -11.057 1.498 -3.281 339 HD13 ILE 43 3HD1 ILE 43 -12.114 2.616 -2.420 340 HA PRO 44 HA PRO 44 -12.490 4.609 3.675 341 HB2 PRO 44 1HB PRO 44 -14.930 3.857 4.594 342 HB3 PRO 44 2HB PRO 44 -14.689 4.605 3.011 343 HG2 PRO 44 1HG PRO 44 -15.029 1.714 3.709 344 HG3 PRO 44 2HG PRO 44 -15.745 2.633 2.372 345 HD2 PRO 44 1HD PRO 44 -13.598 1.017 2.044 346 HD3 PRO 44 2HD PRO 44 -13.835 2.495 1.089 347 H TYR 45 H TYR 45 -12.985 1.236 4.611 348 HA TYR 45 HA TYR 45 -12.907 1.742 7.420 349 HB2 TYR 45 1HB TYR 45 -12.463 -0.849 5.921 350 HB3 TYR 45 2HB TYR 45 -12.779 -0.696 7.646 351 HD1 TYR 45 2HD TYR 45 -14.979 1.071 7.914 352 HD2 TYR 45 1HD TYR 45 -14.268 -1.780 4.838 353 HE1 TYR 45 2HE TYR 45 -17.397 0.940 7.486 354 HE2 TYR 45 1HE TYR 45 -16.685 -1.919 4.399 355 HH TYR 45 HH TYR 45 -18.837 -1.477 5.796 356 H CYS 46 H CYS 46 -10.571 2.152 5.227 357 HA CYS 46 HA CYS 46 -8.451 1.440 7.140 358 HB2 CYS 46 1HB CYS 46 -8.604 0.934 4.197 359 HB3 CYS 46 2HB CYS 46 -7.035 1.265 4.920 360 HG CYS 46 HG CYS 46 -7.525 -1.535 4.551 361 H SER 47 H SER 47 -9.682 3.656 4.740 362 HA SER 47 HA SER 47 -7.738 5.417 4.212 363 HB2 SER 47 1HB SER 47 -9.977 5.870 3.469 364 HB3 SER 47 2HB SER 47 -10.546 6.063 5.126 365 HG SER 47 HG SER 47 -9.400 7.957 5.287 366 H SER 48 H SER 48 -9.312 5.053 7.340 367 HA SER 48 HA SER 48 -8.052 7.293 8.562 368 HB2 SER 48 1HB SER 48 -8.786 6.161 10.706 369 HB3 SER 48 2HB SER 48 -10.076 6.486 9.549 370 HG SER 48 HG SER 48 -8.924 4.049 10.305 371 H ASP 49 H ASP 49 -7.407 3.799 8.635 372 HA ASP 49 HA ASP 49 -5.166 3.926 10.336 373 HB2 ASP 49 1HB ASP 49 -6.241 1.911 8.405 374 HB3 ASP 49 2HB ASP 49 -4.615 1.689 9.044 375 H TRP 50 H TRP 50 -5.523 4.274 6.863 376 HA TRP 50 HA TRP 50 -2.804 4.079 6.161 377 HB2 TRP 50 1HB TRP 50 -4.559 3.939 4.482 378 HB3 TRP 50 2HB TRP 50 -5.056 5.595 4.824 379 HD1 TRP 50 HD TRP 50 -4.016 7.403 3.329 380 HE1 TRP 50 1HE TRP 50 -2.054 7.506 1.666 381 HE3 TRP 50 3HE TRP 50 -2.036 2.757 4.123 382 HZ2 TRP 50 2HZ TRP 50 0.054 5.839 0.805 383 HZ3 TRP 50 3HZ TRP 50 -0.045 2.088 2.839 384 HH2 TRP 50 HH TRP 50 0.975 3.599 1.215 385 H ALA 51 H ALA 51 -4.802 6.832 7.122 386 HA ALA 51 HA ALA 51 -2.834 8.818 6.671 387 HB1 ALA 51 1HB ALA 51 -4.502 9.764 8.697 388 HB2 ALA 51 2HB ALA 51 -4.666 10.041 6.963 389 HB3 ALA 51 3HB ALA 51 -5.513 8.695 7.724 390 H LEU 52 H LEU 52 -2.963 6.361 8.930 391 HA LEU 52 HA LEU 52 -1.603 7.837 11.041 392 HB2 LEU 52 1HB LEU 52 -2.487 4.966 10.818 393 HB3 LEU 52 2HB LEU 52 -1.632 5.626 12.211 394 HG LEU 52 HG LEU 52 -4.381 6.421 11.251 395 HD11 LEU 52 1HD1 LEU 52 -4.269 5.511 13.945 396 HD12 LEU 52 2HD1 LEU 52 -3.494 4.311 12.911 397 HD13 LEU 52 3HD1 LEU 52 -5.149 4.824 12.578 398 HD21 LEU 52 1HD2 LEU 52 -2.686 7.459 13.516 399 HD22 LEU 52 2HD2 LEU 52 -4.419 7.749 13.366 400 HD23 LEU 52 3HD2 LEU 52 -3.312 8.365 12.139 401 H LEU 53 H LEU 53 -0.893 5.725 8.399 402 HA LEU 53 HA LEU 53 1.572 4.682 9.228 403 HB2 LEU 53 1HB LEU 53 0.289 5.195 6.586 404 HB3 LEU 53 2HB LEU 53 1.992 4.743 6.638 405 HG LEU 53 HG LEU 53 -0.133 3.070 7.946 406 HD11 LEU 53 1HD1 LEU 53 0.823 2.980 5.091 407 HD12 LEU 53 2HD1 LEU 53 -0.826 3.228 5.665 408 HD13 LEU 53 3HD1 LEU 53 -0.041 1.665 5.890 409 HD21 LEU 53 1HD2 LEU 53 1.549 1.712 8.463 410 HD22 LEU 53 2HD2 LEU 53 2.651 2.987 7.942 411 HD23 LEU 53 3HD2 LEU 53 2.155 1.731 6.806 412 H ARG 54 H ARG 54 3.721 5.268 8.394 413 HA ARG 54 HA ARG 54 4.083 8.176 8.503 414 HB2 ARG 54 1HB ARG 54 6.209 6.047 8.757 415 HB3 ARG 54 2HB ARG 54 6.342 7.748 9.182 416 HG2 ARG 54 1HG ARG 54 4.340 7.122 10.797 417 HG3 ARG 54 2HG ARG 54 5.060 5.517 10.650 418 HD2 ARG 54 1HD ARG 54 6.043 6.572 12.546 419 HD3 ARG 54 2HD ARG 54 7.257 6.543 11.267 420 HE ARG 54 HE ARG 54 7.192 8.839 11.187 421 HH11 ARG 54 1HH1 ARG 54 4.516 7.657 13.074 422 HH12 ARG 54 2HH1 ARG 54 4.067 9.224 13.659 423 HH21 ARG 54 1HH2 ARG 54 6.612 10.908 11.951 424 HH22 ARG 54 2HH2 ARG 54 5.260 11.073 13.019 425 H GLU 55 H GLU 55 5.679 9.178 7.104 426 HA GLU 55 HA GLU 55 5.269 8.810 4.427 427 HB2 GLU 55 1HB GLU 55 7.453 10.076 6.007 428 HB3 GLU 55 2HB GLU 55 7.721 9.840 4.286 429 HG2 GLU 55 1HG GLU 55 6.836 11.948 4.320 430 HG3 GLU 55 2HG GLU 55 5.392 10.974 4.047 431 H GLU 56 H GLU 56 7.827 7.366 6.407 432 HA GLU 56 HA GLU 56 9.263 6.111 4.372 433 HB2 GLU 56 1HB GLU 56 8.834 5.271 7.242 434 HB3 GLU 56 2HB GLU 56 10.010 4.531 6.166 435 HG2 GLU 56 1HG GLU 56 10.026 7.473 6.722 436 HG3 GLU 56 2HG GLU 56 10.828 6.321 7.787 437 H GLU 57 H GLU 57 6.520 4.924 6.287 438 HA GLU 57 HA GLU 57 6.417 2.346 5.176 439 HB2 GLU 57 1HB GLU 57 4.067 3.938 6.209 440 HB3 GLU 57 2HB GLU 57 4.206 2.189 6.117 441 HG2 GLU 57 1HG GLU 57 6.206 3.682 7.727 442 HG3 GLU 57 2HG GLU 57 4.577 3.484 8.371 443 H LYS 58 H LYS 58 4.469 5.228 4.392 444 HA LYS 58 HA LYS 58 2.988 4.208 2.307 445 HB2 LYS 58 1HB LYS 58 4.149 6.996 2.377 446 HB3 LYS 58 2HB LYS 58 2.687 6.478 1.549 447 HG2 LYS 58 1HG LYS 58 1.836 5.831 3.882 448 HG3 LYS 58 2HG LYS 58 3.158 6.834 4.484 449 HD2 LYS 58 1HD LYS 58 2.292 8.766 3.374 450 HD3 LYS 58 2HD LYS 58 1.092 7.798 2.512 451 HE2 LYS 58 1HE LYS 58 -0.207 8.638 4.198 452 HE3 LYS 58 2HE LYS 58 0.357 7.150 4.957 453 HZ1 LYS 58 1HZ LYS 58 0.887 9.882 5.668 454 HZ2 LYS 58 2HZ LYS 58 2.290 8.940 5.587 455 HZ3 LYS 58 3HZ LYS 58 1.019 8.478 6.602 456 H GLU 59 H GLU 59 6.211 5.698 2.150 457 HA GLU 59 HA GLU 59 6.549 5.529 -0.624 458 HB2 GLU 59 1HB GLU 59 7.977 6.788 1.081 459 HB3 GLU 59 2HB GLU 59 8.789 5.256 1.372 460 HG2 GLU 59 1HG GLU 59 9.718 5.197 -0.754 461 HG3 GLU 59 2HG GLU 59 8.563 6.364 -1.395 462 H LYS 60 H LYS 60 7.351 3.235 1.951 463 HA LYS 60 HA LYS 60 8.697 1.335 0.417 464 HB2 LYS 60 1HB LYS 60 8.826 1.050 2.740 465 HB3 LYS 60 2HB LYS 60 7.082 1.168 2.945 466 HG2 LYS 60 1HG LYS 60 6.888 -1.016 1.731 467 HG3 LYS 60 2HG LYS 60 8.646 -1.138 1.813 468 HD2 LYS 60 1HD LYS 60 7.991 -2.332 3.682 469 HD3 LYS 60 2HD LYS 60 8.288 -0.728 4.358 470 HE2 LYS 60 1HE LYS 60 5.855 -0.251 4.107 471 HE3 LYS 60 2HE LYS 60 5.624 -1.926 3.610 472 HZ1 LYS 60 1HZ LYS 60 5.204 -1.417 6.021 473 HZ2 LYS 60 2HZ LYS 60 6.871 -1.190 6.193 474 HZ3 LYS 60 3HZ LYS 60 6.268 -2.698 5.721 475 H TYR 61 H TYR 61 5.238 1.533 1.224 476 HA TYR 61 HA TYR 61 4.437 -0.764 -0.170 477 HB2 TYR 61 1HB TYR 61 3.047 1.689 0.820 478 HB3 TYR 61 2HB TYR 61 2.187 0.620 -0.281 479 HD1 TYR 61 2HD TYR 61 1.638 -1.679 0.393 480 HD2 TYR 61 1HD TYR 61 3.517 1.028 3.085 481 HE1 TYR 61 2HE TYR 61 1.042 -3.146 2.275 482 HE2 TYR 61 1HE TYR 61 2.927 -0.433 4.974 483 HH TYR 61 HH TYR 61 2.419 -3.056 5.182 484 H ALA 62 H ALA 62 4.660 2.619 -1.190 485 HA ALA 62 HA ALA 62 3.561 2.268 -3.763 486 HB1 ALA 62 1HB ALA 62 5.470 4.369 -3.827 487 HB2 ALA 62 2HB ALA 62 3.713 4.480 -3.730 488 HB3 ALA 62 3HB ALA 62 4.672 4.395 -2.254 489 H GLU 63 H GLU 63 6.900 2.175 -2.578 490 HA GLU 63 HA GLU 63 8.177 1.911 -5.056 491 HB2 GLU 63 1HB GLU 63 9.332 2.411 -2.919 492 HB3 GLU 63 2HB GLU 63 9.048 0.754 -2.404 493 HG2 GLU 63 1HG GLU 63 10.290 0.158 -4.620 494 HG3 GLU 63 2HG GLU 63 10.913 1.802 -4.475 495 H MET 64 H MET 64 7.195 -0.616 -2.743 496 HA MET 64 HA MET 64 7.974 -2.808 -4.298 497 HB2 MET 64 1HB MET 64 6.711 -4.153 -2.808 498 HB3 MET 64 2HB MET 64 7.322 -2.810 -1.852 499 HG2 MET 64 1HG MET 64 5.234 -1.803 -1.700 500 HG3 MET 64 2HG MET 64 4.594 -2.706 -3.070 501 HE1 MET 64 1HE MET 64 5.292 -2.636 0.742 502 HE2 MET 64 2HE MET 64 5.216 -4.340 1.192 503 HE3 MET 64 3HE MET 64 6.551 -3.747 0.204 504 H ALA 65 H ALA 65 5.049 -0.876 -4.311 505 HA ALA 65 HA ALA 65 3.458 -2.595 -5.888 506 HB1 ALA 65 1HB ALA 65 2.971 -0.321 -4.534 507 HB2 ALA 65 2HB ALA 65 3.025 0.306 -6.182 508 HB3 ALA 65 3HB ALA 65 1.890 -0.978 -5.762 509 H ARG 66 H ARG 66 5.382 0.270 -6.784 510 HA ARG 66 HA ARG 66 4.910 0.141 -9.538 511 HB2 ARG 66 1HB ARG 66 7.100 1.337 -7.871 512 HB3 ARG 66 2HB ARG 66 7.200 1.370 -9.626 513 HG2 ARG 66 1HG ARG 66 6.141 3.355 -8.262 514 HG3 ARG 66 2HG ARG 66 5.506 2.874 -9.836 515 HD2 ARG 66 1HD ARG 66 3.745 1.612 -8.808 516 HD3 ARG 66 2HD ARG 66 4.441 1.863 -7.206 517 HE ARG 66 HE ARG 66 3.420 3.904 -7.134 518 HH11 ARG 66 1HH1 ARG 66 3.539 2.825 -10.441 519 HH12 ARG 66 2HH1 ARG 66 2.571 4.131 -11.039 520 HH21 ARG 66 1HH2 ARG 66 2.144 5.629 -7.909 521 HH22 ARG 66 2HH2 ARG 66 1.777 5.725 -9.597 522 H GLU 67 H GLU 67 7.776 -0.982 -7.732 523 HA GLU 67 HA GLU 67 9.086 -2.196 -9.865 524 HB2 GLU 67 1HB GLU 67 9.124 -3.055 -6.966 525 HB3 GLU 67 2HB GLU 67 10.325 -3.470 -8.181 526 HG2 GLU 67 1HG GLU 67 9.755 -0.772 -6.995 527 HG3 GLU 67 2HG GLU 67 11.233 -1.724 -6.874 528 H TRP 68 H TRP 68 6.547 -3.415 -7.763 529 HA TRP 68 HA TRP 68 6.676 -6.121 -8.539 530 HB2 TRP 68 1HB TRP 68 5.463 -5.567 -6.557 531 HB3 TRP 68 2HB TRP 68 4.426 -4.442 -7.429 532 HD1 TRP 68 HD TRP 68 5.077 -8.247 -7.172 533 HE1 TRP 68 1HE TRP 68 2.892 -9.471 -7.766 534 HE3 TRP 68 3HE TRP 68 2.225 -4.218 -8.505 535 HZ2 TRP 68 2HZ TRP 68 0.302 -8.815 -8.679 536 HZ3 TRP 68 3HZ TRP 68 -0.094 -4.603 -9.228 537 HH2 TRP 68 HH TRP 68 -1.035 -6.855 -9.312 538 H ARG 69 H ARG 69 4.651 -3.442 -9.714 539 HA ARG 69 HA ARG 69 3.266 -4.936 -11.658 540 HB2 ARG 69 1HB ARG 69 3.714 -2.045 -11.114 541 HB3 ARG 69 2HB ARG 69 3.134 -2.487 -12.714 542 HG2 ARG 69 1HG ARG 69 1.395 -3.892 -11.308 543 HG3 ARG 69 2HG ARG 69 1.782 -2.684 -10.082 544 HD2 ARG 69 1HD ARG 69 -0.138 -1.974 -11.382 545 HD3 ARG 69 2HD ARG 69 1.232 -0.904 -11.683 546 HE ARG 69 HE ARG 69 0.913 -3.072 -13.573 547 HH11 ARG 69 1HH1 ARG 69 0.203 0.245 -12.792 548 HH12 ARG 69 2HH1 ARG 69 -0.109 0.702 -14.434 549 HH21 ARG 69 1HH2 ARG 69 0.504 -2.483 -15.740 550 HH22 ARG 69 2HH2 ARG 69 0.061 -0.851 -16.110 551 H ALA 70 H ALA 70 6.238 -3.020 -11.819 552 HA ALA 70 HA ALA 70 6.644 -3.199 -14.593 553 HB1 ALA 70 1HB ALA 70 8.485 -2.723 -12.276 554 HB2 ALA 70 2HB ALA 70 9.095 -2.824 -13.928 555 HB3 ALA 70 3HB ALA 70 7.918 -1.583 -13.497 556 H ALA 71 H ALA 71 8.023 -5.156 -11.949 557 HA ALA 71 HA ALA 71 9.426 -6.947 -13.603 558 HB1 ALA 71 1HB ALA 71 10.225 -7.424 -11.584 559 HB2 ALA 71 2HB ALA 71 8.836 -6.680 -10.791 560 HB3 ALA 71 3HB ALA 71 8.761 -8.366 -11.301 561 H GLN 72 H GLN 72 6.138 -6.996 -12.327 562 HA GLN 72 HA GLN 72 5.540 -9.635 -13.217 563 HB2 GLN 72 1HB GLN 72 3.844 -7.320 -12.310 564 HB3 GLN 72 2HB GLN 72 3.129 -8.823 -12.876 565 HG2 GLN 72 1HG GLN 72 4.978 -8.485 -10.526 566 HG3 GLN 72 2HG GLN 72 3.249 -8.824 -10.475 567 HE21 GLN 72 1HE2 GLN 72 6.213 -10.172 -10.192 568 HE22 GLN 72 2HE2 GLN 72 5.830 -11.814 -10.569 569 H GLY 73 H GLY 73 5.587 -6.531 -14.723 570 HA2 GLY 73 1HA GLY 73 3.908 -7.392 -16.946 571 HA3 GLY 73 2HA GLY 73 4.612 -5.797 -16.730 572 H LYS 74 H LYS 74 7.148 -5.914 -16.742 573 HA LYS 74 HA LYS 74 7.863 -7.351 -19.202 574 HB2 LYS 74 1HB LYS 74 9.740 -5.728 -19.340 575 HB3 LYS 74 2HB LYS 74 8.157 -4.963 -19.366 576 HG2 LYS 74 1HG LYS 74 8.379 -4.291 -17.074 577 HG3 LYS 74 2HG LYS 74 9.884 -5.200 -16.912 578 HD2 LYS 74 1HD LYS 74 9.528 -2.955 -18.888 579 HD3 LYS 74 2HD LYS 74 10.124 -2.703 -17.245 580 HE2 LYS 74 1HE LYS 74 12.090 -2.924 -18.429 581 HE3 LYS 74 2HE LYS 74 11.824 -4.574 -17.866 582 HZ1 LYS 74 1HZ LYS 74 10.575 -4.030 -20.391 583 HZ2 LYS 74 2HZ LYS 74 11.589 -5.306 -19.941 584 HZ3 LYS 74 3HZ LYS 74 12.254 -3.833 -20.439 585 H ASP 75 H ASP 75 9.729 -8.589 -19.341 586 HA ASP 75 HA ASP 75 11.033 -9.219 -16.774 587 HB2 ASP 75 1HB ASP 75 9.932 -11.011 -18.891 588 HB3 ASP 75 2HB ASP 75 11.381 -11.530 -18.034 589 HA PRO 76 HA PRO 76 14.281 -7.733 -19.685 590 HB2 PRO 76 1HB PRO 76 15.700 -6.430 -17.772 591 HB3 PRO 76 2HB PRO 76 14.331 -5.699 -18.618 592 HG2 PRO 76 1HG PRO 76 14.423 -6.973 -15.912 593 HG3 PRO 76 2HG PRO 76 13.612 -5.480 -16.418 594 HD2 PRO 76 1HD PRO 76 12.289 -7.822 -16.105 595 HD3 PRO 76 2HD PRO 76 11.814 -6.611 -17.313 596 H GLY 77 H GLY 77 14.130 -9.784 -16.982 597 HA2 GLY 77 1HA GLY 77 16.444 -11.244 -17.826 598 HA3 GLY 77 2HA GLY 77 16.728 -10.378 -16.323 599 HA PRO 78 HA PRO 78 14.198 -14.456 -15.836 600 HB2 PRO 78 1HB PRO 78 16.176 -16.306 -15.634 601 HB3 PRO 78 2HB PRO 78 15.386 -15.907 -17.164 602 HG2 PRO 78 1HG PRO 78 18.011 -14.956 -16.082 603 HG3 PRO 78 2HG PRO 78 17.601 -15.477 -17.727 604 HD2 PRO 78 1HD PRO 78 17.783 -12.867 -17.029 605 HD3 PRO 78 2HD PRO 78 16.654 -13.448 -18.270 606 H SER 79 H SER 79 13.755 -13.557 -13.806 607 HA SER 79 HA SER 79 15.664 -14.308 -11.691 608 HB2 SER 79 1HB SER 79 15.050 -12.326 -10.434 609 HB3 SER 79 2HB SER 79 15.579 -11.841 -12.044 610 HG SER 79 HG SER 79 13.120 -12.092 -12.439 611 H GLU 80 H GLU 80 14.739 -14.885 -9.655 612 HA GLU 80 HA GLU 80 12.206 -16.257 -9.953 613 HB2 GLU 80 1HB GLU 80 14.269 -17.225 -8.815 614 HB3 GLU 80 2HB GLU 80 13.921 -16.142 -7.476 615 HG2 GLU 80 1HG GLU 80 13.010 -18.244 -6.913 616 HG3 GLU 80 2HG GLU 80 11.654 -17.197 -7.332 617 H LYS 81 H LYS 81 10.442 -16.028 -8.481 618 HA LYS 81 HA LYS 81 10.278 -13.345 -7.273 619 HB2 LYS 81 1HB LYS 81 8.797 -13.501 -9.177 620 HB3 LYS 81 2HB LYS 81 8.115 -15.007 -8.576 621 HG2 LYS 81 1HG LYS 81 7.459 -13.568 -6.510 622 HG3 LYS 81 2HG LYS 81 7.677 -12.215 -7.622 623 HD2 LYS 81 1HD LYS 81 5.892 -12.817 -8.921 624 HD3 LYS 81 2HD LYS 81 6.048 -14.532 -8.532 625 HE2 LYS 81 1HE LYS 81 5.304 -13.907 -6.184 626 HE3 LYS 81 2HE LYS 81 4.859 -12.338 -6.853 627 HZ1 LYS 81 1HZ LYS 81 3.859 -14.796 -8.120 628 HZ2 LYS 81 2HZ LYS 81 3.179 -13.248 -8.103 629 HZ3 LYS 81 3HZ LYS 81 3.108 -14.217 -6.719 630 H GLN 82 H GLN 82 11.062 -14.159 -5.270 631 HA GLN 82 HA GLN 82 8.966 -15.449 -3.695 632 HB2 GLN 82 1HB GLN 82 11.774 -16.459 -4.038 633 HB3 GLN 82 2HB GLN 82 10.883 -16.778 -2.555 634 HG2 GLN 82 1HG GLN 82 9.835 -17.487 -5.279 635 HG3 GLN 82 2HG GLN 82 10.809 -18.582 -4.301 636 HE21 GLN 82 1HE2 GLN 82 9.247 -20.104 -3.985 637 HE22 GLN 82 2HE2 GLN 82 7.820 -19.828 -3.053 638 H LYS 83 H LYS 83 8.652 -14.438 -1.821 639 HA LYS 83 HA LYS 83 10.783 -13.284 -0.300 640 HB2 LYS 83 1HB LYS 83 10.226 -11.592 -2.169 641 HB3 LYS 83 2HB LYS 83 8.733 -11.313 -1.282 642 HG2 LYS 83 1HG LYS 83 10.406 -10.986 0.734 643 HG3 LYS 83 2HG LYS 83 11.524 -10.597 -0.577 644 HD2 LYS 83 1HD LYS 83 10.167 -8.811 -1.329 645 HD3 LYS 83 2HD LYS 83 8.806 -9.329 -0.333 646 HE2 LYS 83 1HE LYS 83 11.371 -8.648 1.013 647 HE3 LYS 83 2HE LYS 83 10.377 -7.332 0.391 648 HZ1 LYS 83 1HZ LYS 83 9.879 -9.147 2.611 649 HZ2 LYS 83 2HZ LYS 83 8.537 -8.743 1.666 650 HZ3 LYS 83 3HZ LYS 83 9.438 -7.525 2.418 651 HA PRO 84 HA PRO 84 7.738 -14.398 2.724 652 HB2 PRO 84 1HB PRO 84 9.125 -13.550 4.898 653 HB3 PRO 84 2HB PRO 84 9.511 -15.044 4.035 654 HG2 PRO 84 1HG PRO 84 10.807 -12.351 3.837 655 HG3 PRO 84 2HG PRO 84 11.562 -13.955 3.900 656 HD2 PRO 84 1HD PRO 84 11.234 -12.589 1.585 657 HD3 PRO 84 2HD PRO 84 11.179 -14.361 1.663 658 H VAL 85 H VAL 85 6.110 -13.387 3.822 659 HA VAL 85 HA VAL 85 6.299 -10.484 4.227 660 HB VAL 85 HB VAL 85 5.083 -10.654 2.180 661 HG11 VAL 85 1HG1 VAL 85 3.816 -12.393 1.615 662 HG12 VAL 85 2HG1 VAL 85 4.270 -13.135 3.151 663 HG13 VAL 85 3HG1 VAL 85 2.789 -12.183 3.033 664 HG21 VAL 85 1HG2 VAL 85 2.735 -10.386 3.933 665 HG22 VAL 85 2HG2 VAL 85 4.121 -9.388 4.369 666 HG23 VAL 85 3HG2 VAL 85 3.412 -9.257 2.759 667 H PHE 86 H PHE 86 5.842 -9.996 6.261 668 HA PHE 86 HA PHE 86 4.042 -11.778 7.766 669 HB2 PHE 86 1HB PHE 86 5.276 -11.004 9.802 670 HB3 PHE 86 2HB PHE 86 6.265 -11.927 8.676 671 HD1 PHE 86 1HD PHE 86 5.483 -8.508 9.843 672 HD2 PHE 86 2HD PHE 86 8.200 -11.004 7.720 673 HE1 PHE 86 1HE PHE 86 7.117 -6.670 9.782 674 HE2 PHE 86 2HE PHE 86 9.840 -9.171 7.656 675 HZ PHE 86 HZ PHE 86 9.300 -7.001 8.689 676 H THR 87 H THR 87 3.184 -10.533 9.806 677 HA THR 87 HA THR 87 2.616 -7.739 9.359 678 HB THR 87 HB THR 87 0.944 -8.797 7.894 679 HG1 THR 87 1HG THR 87 -0.483 -7.358 8.546 680 HG21 THR 87 1HG2 THR 87 0.671 -10.580 10.142 681 HG22 THR 87 2HG2 THR 87 0.047 -10.747 8.502 682 HG23 THR 87 3HG2 THR 87 -0.889 -9.876 9.717 683 H SER 88 H SER 88 1.583 -6.729 11.152 684 HA SER 88 HA SER 88 1.932 -8.242 13.637 685 HB2 SER 88 1HB SER 88 3.149 -6.101 13.421 686 HB3 SER 88 2HB SER 88 1.613 -5.258 13.219 687 HG SER 88 HG SER 88 1.196 -6.491 15.372 688 H GLY 89 H GLY 89 -0.389 -6.033 12.085 689 HA2 GLY 89 1HA GLY 89 -2.601 -5.592 12.619 690 HA3 GLY 89 2HA GLY 89 -2.705 -7.342 12.494 691 HA PRO 90 HA PRO 90 -2.084 -6.447 17.199 692 HB2 PRO 90 1HB PRO 90 -2.064 -3.844 17.969 693 HB3 PRO 90 2HB PRO 90 -0.599 -4.724 17.518 694 HG2 PRO 90 1HG PRO 90 -2.248 -2.828 15.891 695 HG3 PRO 90 2HG PRO 90 -0.483 -2.948 16.022 696 HD2 PRO 90 1HD PRO 90 -1.863 -3.981 13.933 697 HD3 PRO 90 2HD PRO 90 -0.368 -4.717 14.548 698 H SER 91 H SER 91 -4.266 -7.256 16.915 699 HA SER 91 HA SER 91 -6.445 -5.346 16.935 700 HB2 SER 91 1HB SER 91 -6.484 -8.366 17.150 701 HB3 SER 91 2HB SER 91 -7.898 -7.333 16.932 702 HG SER 91 HG SER 91 -7.200 -6.803 14.910 703 H SER 92 H SER 92 -6.956 -4.347 18.762 704 HA SER 92 HA SER 92 -6.215 -5.309 21.335 705 HB2 SER 92 1HB SER 92 -6.400 -2.913 20.891 706 HB3 SER 92 2HB SER 92 -8.120 -3.090 20.548 707 HG SER 92 HG SER 92 -7.106 -2.541 22.842 708 H GLY 93 H GLY 93 -7.391 -6.328 22.892 709 HA2 GLY 93 1HA GLY 93 -10.124 -6.552 23.141 710 HA3 GLY 93 2HA GLY 93 -9.660 -7.847 22.047 Start of MODEL 19 1 H1 GLY 1 H GLY 1 12.823 -5.611 -7.648 2 HA2 GLY 1 1HA GLY 1 11.395 -6.314 -10.126 3 HA3 GLY 1 2HA GLY 1 10.652 -5.217 -8.971 4 H SER 2 H SER 2 10.890 -4.227 -11.398 5 HA SER 2 HA SER 2 13.348 -2.611 -11.415 6 HB2 SER 2 1HB SER 2 13.180 -3.733 -13.488 7 HB3 SER 2 2HB SER 2 11.447 -3.429 -13.608 8 HG SER 2 HG SER 2 11.948 -1.204 -13.871 9 H SER 3 H SER 3 13.255 -0.467 -11.129 10 HA SER 3 HA SER 3 11.008 1.143 -11.747 11 HB2 SER 3 1HB SER 3 10.406 1.799 -9.422 12 HB3 SER 3 2HB SER 3 10.017 0.116 -9.780 13 HG SER 3 HG SER 3 11.053 0.323 -7.759 14 H GLY 4 H GLY 4 11.458 3.342 -11.584 15 HA2 GLY 4 1HA GLY 4 14.253 3.952 -10.855 16 HA3 GLY 4 2HA GLY 4 13.345 4.792 -12.102 17 H SER 5 H SER 5 14.093 6.710 -10.910 18 HA SER 5 HA SER 5 13.163 7.249 -8.282 19 HB2 SER 5 1HB SER 5 14.343 8.910 -10.485 20 HB3 SER 5 2HB SER 5 13.656 9.698 -9.065 21 HG SER 5 HG SER 5 15.393 9.180 -8.025 22 H SER 6 H SER 6 12.097 8.477 -11.456 23 HA SER 6 HA SER 6 9.625 9.441 -10.238 24 HB2 SER 6 1HB SER 6 11.124 10.715 -11.982 25 HB3 SER 6 2HB SER 6 10.245 9.735 -13.156 26 HG SER 6 HG SER 6 9.276 11.702 -11.394 27 H GLY 7 H GLY 7 7.556 8.866 -11.040 28 HA2 GLY 7 1HA GLY 7 7.521 6.264 -12.441 29 HA3 GLY 7 2HA GLY 7 6.401 6.681 -11.153 30 H MET 8 H MET 8 5.522 5.781 -13.625 31 HA MET 8 HA MET 8 4.877 7.865 -15.423 32 HB2 MET 8 1HB MET 8 3.734 5.119 -14.960 33 HB3 MET 8 2HB MET 8 3.071 6.203 -16.175 34 HG2 MET 8 1HG MET 8 5.362 6.336 -17.174 35 HG3 MET 8 2HG MET 8 5.846 5.060 -16.059 36 HE1 MET 8 1HE MET 8 4.815 4.177 -20.106 37 HE2 MET 8 2HE MET 8 4.990 5.807 -19.455 38 HE3 MET 8 3HE MET 8 6.262 4.613 -19.196 39 HA PRO 9 HA PRO 9 1.533 9.911 -13.439 40 HB2 PRO 9 1HB PRO 9 0.118 10.739 -15.603 41 HB3 PRO 9 2HB PRO 9 1.658 11.465 -15.126 42 HG2 PRO 9 1HG PRO 9 1.101 9.413 -17.234 43 HG3 PRO 9 2HG PRO 9 2.165 10.830 -17.305 44 HD2 PRO 9 1HD PRO 9 3.102 8.326 -16.877 45 HD3 PRO 9 2HD PRO 9 3.869 9.766 -16.176 46 H ASN 10 H ASN 10 0.229 8.525 -12.343 47 HA ASN 10 HA ASN 10 -1.341 6.506 -13.587 48 HB2 ASN 10 1HB ASN 10 -2.029 7.566 -10.878 49 HB3 ASN 10 2HB ASN 10 -1.994 5.902 -11.453 50 HD21 ASN 10 1HD2 ASN 10 -0.681 7.601 -9.217 51 HD22 ASN 10 2HD2 ASN 10 0.961 7.063 -9.247 52 H ARG 11 H ARG 11 -3.043 6.904 -14.831 53 HA ARG 11 HA ARG 11 -4.474 9.360 -14.788 54 HB2 ARG 11 1HB ARG 11 -4.765 6.757 -16.233 55 HB3 ARG 11 2HB ARG 11 -6.096 7.906 -16.264 56 HG2 ARG 11 1HG ARG 11 -4.921 8.431 -18.179 57 HG3 ARG 11 2HG ARG 11 -4.305 9.606 -17.015 58 HD2 ARG 11 1HD ARG 11 -2.428 8.733 -18.177 59 HD3 ARG 11 2HD ARG 11 -2.413 8.020 -16.566 60 HE ARG 11 HE ARG 11 -3.780 6.242 -18.167 61 HH11 ARG 11 1HH1 ARG 11 -0.597 7.652 -18.082 62 HH12 ARG 11 2HH1 ARG 11 0.170 6.284 -18.818 63 HH21 ARG 11 1HH2 ARG 11 -2.780 4.435 -19.135 64 HH22 ARG 11 2HH2 ARG 11 -1.072 4.454 -19.417 65 H LYS 12 H LYS 12 -5.385 6.041 -13.869 66 HA LYS 12 HA LYS 12 -7.493 7.199 -12.163 67 HB2 LYS 12 1HB LYS 12 -7.510 4.810 -13.961 68 HB3 LYS 12 2HB LYS 12 -8.493 4.780 -12.503 69 HG2 LYS 12 1HG LYS 12 -9.936 5.540 -14.167 70 HG3 LYS 12 2HG LYS 12 -9.450 7.003 -13.307 71 HD2 LYS 12 1HD LYS 12 -7.700 7.354 -15.057 72 HD3 LYS 12 2HD LYS 12 -8.396 5.997 -15.947 73 HE2 LYS 12 1HE LYS 12 -9.844 8.529 -15.176 74 HE3 LYS 12 2HE LYS 12 -9.215 8.152 -16.779 75 HZ1 LYS 12 1HZ LYS 12 -11.458 7.590 -16.876 76 HZ2 LYS 12 2HZ LYS 12 -11.461 6.878 -15.343 77 HZ3 LYS 12 3HZ LYS 12 -10.691 6.102 -16.633 78 H ALA 13 H ALA 13 -4.810 6.775 -11.336 79 HA ALA 13 HA ALA 13 -3.499 5.610 -9.836 80 HB1 ALA 13 1HB ALA 13 -6.066 6.353 -8.603 81 HB2 ALA 13 2HB ALA 13 -5.095 5.188 -7.703 82 HB3 ALA 13 3HB ALA 13 -4.415 6.758 -8.129 83 H SER 14 H SER 14 -4.077 3.784 -11.668 84 HA SER 14 HA SER 14 -5.568 1.595 -11.327 85 HB2 SER 14 1HB SER 14 -2.755 1.940 -12.241 86 HB3 SER 14 2HB SER 14 -3.317 0.293 -11.956 87 HG SER 14 HG SER 14 -4.201 2.182 -13.832 88 H ARG 15 H ARG 15 -2.298 1.652 -9.902 89 HA ARG 15 HA ARG 15 -3.326 0.527 -7.428 90 HB2 ARG 15 1HB ARG 15 -1.238 -0.929 -9.062 91 HB3 ARG 15 2HB ARG 15 -1.810 -1.390 -7.464 92 HG2 ARG 15 1HG ARG 15 -4.054 -1.757 -8.384 93 HG3 ARG 15 2HG ARG 15 -3.451 -1.330 -9.987 94 HD2 ARG 15 1HD ARG 15 -2.079 -3.480 -8.442 95 HD3 ARG 15 2HD ARG 15 -3.615 -3.838 -9.229 96 HE ARG 15 HE ARG 15 -1.086 -3.541 -10.491 97 HH11 ARG 15 1HH1 ARG 15 -4.492 -2.972 -10.930 98 HH12 ARG 15 2HH1 ARG 15 -4.417 -3.062 -12.659 99 HH21 ARG 15 1HH2 ARG 15 -0.974 -3.661 -12.766 100 HH22 ARG 15 2HH2 ARG 15 -2.414 -3.454 -13.702 101 H ASN 16 H ASN 16 -2.319 1.458 -5.777 102 HA ASN 16 HA ASN 16 0.489 2.246 -6.060 103 HB2 ASN 16 1HB ASN 16 -1.823 4.047 -5.433 104 HB3 ASN 16 2HB ASN 16 -0.248 4.381 -4.720 105 HD21 ASN 16 1HD2 ASN 16 1.576 4.545 -6.238 106 HD22 ASN 16 2HD2 ASN 16 1.287 5.257 -7.786 107 H ALA 17 H ALA 17 1.304 3.073 -3.833 108 HA ALA 17 HA ALA 17 1.534 1.121 -2.031 109 HB1 ALA 17 1HB ALA 17 1.155 3.987 -1.179 110 HB2 ALA 17 2HB ALA 17 2.075 2.735 -0.343 111 HB3 ALA 17 3HB ALA 17 2.634 3.350 -1.898 112 H TYR 18 H TYR 18 -1.128 3.476 -2.005 113 HA TYR 18 HA TYR 18 -2.438 2.590 0.283 114 HB2 TYR 18 1HB TYR 18 -2.945 4.662 -1.089 115 HB3 TYR 18 2HB TYR 18 -3.833 3.616 -2.191 116 HD1 TYR 18 2HD TYR 18 -3.640 4.270 1.490 117 HD2 TYR 18 1HD TYR 18 -6.112 3.505 -1.888 118 HE1 TYR 18 2HE TYR 18 -5.636 4.479 2.910 119 HE2 TYR 18 1HE TYR 18 -8.115 3.713 -0.477 120 HH TYR 18 HH TYR 18 -8.083 3.567 2.794 121 H TYR 19 H TYR 19 -2.868 1.557 -3.090 122 HA TYR 19 HA TYR 19 -4.952 -0.242 -2.714 123 HB2 TYR 19 1HB TYR 19 -4.233 0.402 -4.934 124 HB3 TYR 19 2HB TYR 19 -2.659 -0.343 -4.683 125 HD1 TYR 19 1HD TYR 19 -2.440 -2.798 -4.647 126 HD2 TYR 19 2HD TYR 19 -6.151 -0.911 -5.527 127 HE1 TYR 19 1HE TYR 19 -3.287 -4.912 -5.576 128 HE2 TYR 19 2HE TYR 19 -7.009 -3.021 -6.457 129 HH TYR 19 HH TYR 19 -6.636 -5.282 -6.545 130 H PHE 20 H PHE 20 -1.467 -0.709 -2.358 131 HA PHE 20 HA PHE 20 -1.618 -3.507 -1.858 132 HB2 PHE 20 1HB PHE 20 0.485 -1.404 -1.612 133 HB3 PHE 20 2HB PHE 20 0.732 -2.928 -0.766 134 HD1 PHE 20 2HD PHE 20 -0.377 -1.762 -4.136 135 HD2 PHE 20 1HD PHE 20 1.940 -4.522 -1.872 136 HE1 PHE 20 2HE PHE 20 0.440 -2.780 -6.221 137 HE2 PHE 20 1HE PHE 20 2.762 -5.545 -3.954 138 HZ PHE 20 HZ PHE 20 2.012 -4.674 -6.133 139 H PHE 21 H PHE 21 -1.757 -0.643 0.152 140 HA PHE 21 HA PHE 21 -1.429 -1.965 2.644 141 HB2 PHE 21 1HB PHE 21 -1.019 0.396 2.539 142 HB3 PHE 21 2HB PHE 21 -2.635 0.706 1.914 143 HD1 PHE 21 1HD PHE 21 -0.855 -0.624 4.893 144 HD2 PHE 21 2HD PHE 21 -4.357 1.251 3.365 145 HE1 PHE 21 1HE PHE 21 -1.670 -0.283 7.189 146 HE2 PHE 21 2HE PHE 21 -5.177 1.595 5.659 147 HZ PHE 21 HZ PHE 21 -3.833 0.829 7.575 148 H VAL 22 H VAL 22 -4.327 -0.685 1.010 149 HA VAL 22 HA VAL 22 -6.187 -1.672 2.868 150 HB VAL 22 HB VAL 22 -6.702 -1.241 -0.075 151 HG11 VAL 22 1HG1 VAL 22 -8.909 -1.310 0.390 152 HG12 VAL 22 2HG1 VAL 22 -8.373 -2.281 1.764 153 HG13 VAL 22 3HG1 VAL 22 -8.708 -0.562 1.974 154 HG21 VAL 22 1HG2 VAL 22 -7.338 0.930 1.792 155 HG22 VAL 22 2HG2 VAL 22 -5.615 0.638 1.562 156 HG23 VAL 22 3HG2 VAL 22 -6.641 0.992 0.173 157 H GLN 23 H GLN 23 -4.520 -3.193 0.229 158 HA GLN 23 HA GLN 23 -6.283 -5.427 -0.027 159 HB2 GLN 23 1HB GLN 23 -4.670 -4.591 -1.790 160 HB3 GLN 23 2HB GLN 23 -3.379 -5.311 -0.837 161 HG2 GLN 23 1HG GLN 23 -3.804 -6.963 -2.366 162 HG3 GLN 23 2HG GLN 23 -4.811 -7.469 -1.011 163 HE21 GLN 23 1HE2 GLN 23 -5.248 -5.031 -3.548 164 HE22 GLN 23 2HE2 GLN 23 -6.746 -5.660 -4.134 165 H GLU 24 H GLU 24 -3.303 -4.787 1.750 166 HA GLU 24 HA GLU 24 -3.127 -7.481 2.758 167 HB2 GLU 24 1HB GLU 24 -1.613 -4.948 3.391 168 HB3 GLU 24 2HB GLU 24 -1.304 -6.476 4.204 169 HG2 GLU 24 1HG GLU 24 -0.531 -7.494 2.235 170 HG3 GLU 24 2HG GLU 24 -1.183 -6.208 1.221 171 H LYS 25 H LYS 25 -5.389 -5.387 3.339 172 HA LYS 25 HA LYS 25 -5.488 -5.931 6.234 173 HB2 LYS 25 1HB LYS 25 -6.381 -3.483 4.715 174 HB3 LYS 25 2HB LYS 25 -6.927 -3.833 6.349 175 HG2 LYS 25 1HG LYS 25 -4.006 -3.752 5.736 176 HG3 LYS 25 2HG LYS 25 -4.909 -2.256 5.980 177 HD2 LYS 25 1HD LYS 25 -5.617 -3.017 8.179 178 HD3 LYS 25 2HD LYS 25 -4.789 -4.556 7.931 179 HE2 LYS 25 1HE LYS 25 -3.347 -1.921 7.813 180 HE3 LYS 25 2HE LYS 25 -3.587 -2.791 9.328 181 HZ1 LYS 25 1HZ LYS 25 -1.448 -3.318 8.365 182 HZ2 LYS 25 2HZ LYS 25 -2.178 -3.831 6.929 183 HZ3 LYS 25 3HZ LYS 25 -2.433 -4.693 8.362 184 H ILE 26 H ILE 26 -7.110 -5.969 3.177 185 HA ILE 26 HA ILE 26 -9.746 -6.106 3.629 186 HB ILE 26 HB ILE 26 -7.976 -7.692 1.855 187 HG12 ILE 26 1HG1 ILE 26 -10.548 -6.280 1.180 188 HG13 ILE 26 2HG1 ILE 26 -9.054 -5.383 1.432 189 HG21 ILE 26 1HG2 ILE 26 -10.013 -8.905 0.973 190 HG22 ILE 26 2HG2 ILE 26 -9.372 -9.479 2.511 191 HG23 ILE 26 3HG2 ILE 26 -10.814 -8.463 2.481 192 HD11 ILE 26 1HD1 ILE 26 -9.169 -7.650 -0.512 193 HD12 ILE 26 2HD1 ILE 26 -9.717 -6.032 -0.956 194 HD13 ILE 26 3HD1 ILE 26 -8.049 -6.290 -0.447 195 HA PRO 27 HA PRO 27 -9.598 -10.643 5.288 196 HB2 PRO 27 1HB PRO 27 -7.157 -11.673 5.881 197 HB3 PRO 27 2HB PRO 27 -7.900 -11.823 4.286 198 HG2 PRO 27 1HG PRO 27 -5.821 -9.889 5.231 199 HG3 PRO 27 2HG PRO 27 -5.901 -10.788 3.704 200 HD2 PRO 27 1HD PRO 27 -6.625 -8.186 3.903 201 HD3 PRO 27 2HD PRO 27 -7.400 -9.308 2.767 202 H GLU 28 H GLU 28 -7.399 -8.211 6.466 203 HA GLU 28 HA GLU 28 -7.261 -9.133 9.156 204 HB2 GLU 28 1HB GLU 28 -5.544 -7.663 8.322 205 HB3 GLU 28 2HB GLU 28 -6.729 -6.426 7.928 206 HG2 GLU 28 1HG GLU 28 -5.508 -5.854 9.942 207 HG3 GLU 28 2HG GLU 28 -7.215 -6.118 10.292 208 H LEU 29 H LEU 29 -9.316 -6.831 7.441 209 HA LEU 29 HA LEU 29 -10.712 -5.983 9.794 210 HB2 LEU 29 1HB LEU 29 -11.373 -5.688 6.868 211 HB3 LEU 29 2HB LEU 29 -12.269 -4.923 8.179 212 HG LEU 29 HG LEU 29 -9.349 -4.408 7.639 213 HD11 LEU 29 1HD1 LEU 29 -11.242 -2.289 6.985 214 HD12 LEU 29 2HD1 LEU 29 -11.387 -3.708 5.948 215 HD13 LEU 29 3HD1 LEU 29 -9.839 -2.876 6.092 216 HD21 LEU 29 1HD2 LEU 29 -10.805 -3.909 9.878 217 HD22 LEU 29 2HD2 LEU 29 -11.032 -2.412 8.974 218 HD23 LEU 29 3HD2 LEU 29 -9.405 -2.970 9.361 219 H ARG 30 H ARG 30 -11.382 -8.240 7.149 220 HA ARG 30 HA ARG 30 -13.980 -8.921 7.596 221 HB2 ARG 30 1HB ARG 30 -11.609 -10.567 6.776 222 HB3 ARG 30 2HB ARG 30 -13.183 -11.325 6.980 223 HG2 ARG 30 1HG ARG 30 -14.144 -9.931 5.285 224 HG3 ARG 30 2HG ARG 30 -12.663 -8.979 5.170 225 HD2 ARG 30 1HD ARG 30 -12.493 -10.413 3.356 226 HD3 ARG 30 2HD ARG 30 -11.537 -11.231 4.592 227 HE ARG 30 HE ARG 30 -14.235 -12.111 4.639 228 HH11 ARG 30 1HH1 ARG 30 -11.256 -12.420 2.865 229 HH12 ARG 30 2HH1 ARG 30 -11.622 -14.006 2.272 230 HH21 ARG 30 1HH2 ARG 30 -14.728 -14.199 3.864 231 HH22 ARG 30 2HH2 ARG 30 -13.598 -15.016 2.840 232 H ARG 31 H ARG 31 -11.160 -10.036 9.415 233 HA ARG 31 HA ARG 31 -12.637 -11.819 11.083 234 HB2 ARG 31 1HB ARG 31 -9.874 -10.628 11.293 235 HB3 ARG 31 2HB ARG 31 -10.525 -11.733 12.495 236 HG2 ARG 31 1HG ARG 31 -10.466 -13.537 11.071 237 HG3 ARG 31 2HG ARG 31 -10.531 -12.530 9.623 238 HD2 ARG 31 1HD ARG 31 -8.223 -11.693 10.302 239 HD3 ARG 31 2HD ARG 31 -8.196 -13.033 11.447 240 HE ARG 31 HE ARG 31 -8.801 -14.247 9.115 241 HH11 ARG 31 1HH1 ARG 31 -6.295 -12.020 10.053 242 HH12 ARG 31 2HH1 ARG 31 -5.141 -12.637 8.918 243 HH21 ARG 31 1HH2 ARG 31 -7.290 -15.068 7.616 244 HH22 ARG 31 2HH2 ARG 31 -5.708 -14.371 7.531 245 H ARG 32 H ARG 32 -11.423 -8.512 11.443 246 HA ARG 32 HA ARG 32 -12.009 -8.065 14.106 247 HB2 ARG 32 1HB ARG 32 -11.954 -6.280 11.699 248 HB3 ARG 32 2HB ARG 32 -12.474 -5.639 13.251 249 HG2 ARG 32 1HG ARG 32 -10.233 -6.726 14.087 250 HG3 ARG 32 2HG ARG 32 -9.789 -6.572 12.385 251 HD2 ARG 32 1HD ARG 32 -10.462 -4.159 12.529 252 HD3 ARG 32 2HD ARG 32 -10.635 -4.380 14.269 253 HE ARG 32 HE ARG 32 -8.069 -5.183 13.265 254 HH11 ARG 32 1HH1 ARG 32 -9.979 -2.503 14.399 255 HH12 ARG 32 2HH1 ARG 32 -8.609 -1.563 14.887 256 HH21 ARG 32 1HH2 ARG 32 -6.256 -3.956 13.903 257 HH22 ARG 32 2HH2 ARG 32 -6.490 -2.390 14.604 258 H GLY 33 H GLY 33 -14.151 -7.812 11.294 259 HA2 GLY 33 1HA GLY 33 -16.471 -8.619 11.761 260 HA3 GLY 33 2HA GLY 33 -16.423 -7.570 13.171 261 H LEU 34 H LEU 34 -15.375 -6.993 9.825 262 HA LEU 34 HA LEU 34 -17.400 -4.867 9.643 263 HB2 LEU 34 1HB LEU 34 -14.494 -4.746 8.875 264 HB3 LEU 34 2HB LEU 34 -15.689 -3.591 8.289 265 HG LEU 34 HG LEU 34 -15.019 -4.026 11.198 266 HD11 LEU 34 1HD1 LEU 34 -13.880 -1.831 11.006 267 HD12 LEU 34 2HD1 LEU 34 -14.074 -1.923 9.256 268 HD13 LEU 34 3HD1 LEU 34 -13.087 -3.118 10.097 269 HD21 LEU 34 1HD2 LEU 34 -17.264 -3.185 10.855 270 HD22 LEU 34 2HD2 LEU 34 -16.655 -1.923 9.782 271 HD23 LEU 34 3HD2 LEU 34 -16.232 -1.905 11.495 272 HA PRO 35 HA PRO 35 -18.520 -6.768 5.835 273 HB2 PRO 35 1HB PRO 35 -19.744 -4.656 4.644 274 HB3 PRO 35 2HB PRO 35 -20.469 -5.560 5.978 275 HG2 PRO 35 1HG PRO 35 -19.004 -2.950 6.035 276 HG3 PRO 35 2HG PRO 35 -20.489 -3.417 6.882 277 HD2 PRO 35 1HD PRO 35 -18.071 -3.380 8.097 278 HD3 PRO 35 2HD PRO 35 -19.343 -4.536 8.540 279 H VAL 36 H VAL 36 -16.302 -7.018 5.104 280 HA VAL 36 HA VAL 36 -15.628 -5.104 2.970 281 HB VAL 36 HB VAL 36 -13.183 -5.869 3.483 282 HG11 VAL 36 1HG1 VAL 36 -13.344 -3.639 3.752 283 HG12 VAL 36 2HG1 VAL 36 -14.856 -3.751 4.654 284 HG13 VAL 36 3HG1 VAL 36 -13.319 -4.040 5.469 285 HG21 VAL 36 1HG2 VAL 36 -14.323 -7.401 5.353 286 HG22 VAL 36 2HG2 VAL 36 -12.691 -6.753 5.514 287 HG23 VAL 36 3HG2 VAL 36 -14.041 -5.949 6.315 288 H ALA 37 H ALA 37 -16.089 -6.186 1.155 289 HA ALA 37 HA ALA 37 -15.425 -9.033 0.966 290 HB1 ALA 37 1HB ALA 37 -17.010 -9.234 -0.686 291 HB2 ALA 37 2HB ALA 37 -17.703 -7.937 0.290 292 HB3 ALA 37 3HB ALA 37 -16.844 -7.554 -1.201 293 H ARG 38 H ARG 38 -14.621 -5.908 -0.392 294 HA ARG 38 HA ARG 38 -12.285 -7.098 -1.670 295 HB2 ARG 38 1HB ARG 38 -12.678 -6.183 -3.810 296 HB3 ARG 38 2HB ARG 38 -14.197 -6.937 -3.346 297 HG2 ARG 38 1HG ARG 38 -15.164 -4.817 -2.812 298 HG3 ARG 38 2HG ARG 38 -13.615 -4.002 -3.039 299 HD2 ARG 38 1HD ARG 38 -14.910 -3.611 -4.995 300 HD3 ARG 38 2HD ARG 38 -13.661 -4.780 -5.420 301 HE ARG 38 HE ARG 38 -15.322 -6.241 -5.951 302 HH11 ARG 38 1HH1 ARG 38 -16.589 -3.917 -3.690 303 HH12 ARG 38 2HH1 ARG 38 -18.202 -4.550 -3.743 304 HH21 ARG 38 1HH2 ARG 38 -17.441 -7.082 -6.030 305 HH22 ARG 38 2HH2 ARG 38 -18.684 -6.350 -5.074 306 H VAL 39 H VAL 39 -10.926 -5.215 -2.679 307 HA VAL 39 HA VAL 39 -9.994 -3.601 -0.651 308 HB VAL 39 HB VAL 39 -9.836 -3.167 -3.633 309 HG11 VAL 39 1HG1 VAL 39 -8.266 -1.786 -1.459 310 HG12 VAL 39 2HG1 VAL 39 -8.028 -1.598 -3.197 311 HG13 VAL 39 3HG1 VAL 39 -9.525 -1.044 -2.445 312 HG21 VAL 39 1HG2 VAL 39 -7.601 -4.085 -3.412 313 HG22 VAL 39 2HG2 VAL 39 -7.815 -4.243 -1.668 314 HG23 VAL 39 3HG2 VAL 39 -8.788 -5.220 -2.767 315 H ALA 40 H ALA 40 -12.105 -2.593 -3.344 316 HA ALA 40 HA ALA 40 -12.506 0.033 -2.740 317 HB1 ALA 40 1HB ALA 40 -13.537 -1.522 -4.590 318 HB2 ALA 40 2HB ALA 40 -14.909 -1.563 -3.480 319 HB3 ALA 40 3HB ALA 40 -14.335 -0.022 -4.118 320 H ASP 41 H ASP 41 -13.881 -2.752 -1.109 321 HA ASP 41 HA ASP 41 -15.719 -1.229 0.480 322 HB2 ASP 41 1HB ASP 41 -14.752 -4.079 0.554 323 HB3 ASP 41 2HB ASP 41 -15.793 -3.430 1.819 324 H ALA 42 H ALA 42 -12.496 -2.589 0.950 325 HA ALA 42 HA ALA 42 -12.363 -1.710 3.700 326 HB1 ALA 42 1HB ALA 42 -9.860 -2.412 3.262 327 HB2 ALA 42 2HB ALA 42 -11.128 -3.620 3.481 328 HB3 ALA 42 3HB ALA 42 -10.572 -3.208 1.858 329 H ILE 43 H ILE 43 -12.031 -0.207 0.749 330 HA ILE 43 HA ILE 43 -9.803 1.413 0.944 331 HB ILE 43 HB ILE 43 -12.438 1.678 -0.387 332 HG12 ILE 43 1HG1 ILE 43 -9.546 1.895 -1.232 333 HG13 ILE 43 2HG1 ILE 43 -10.661 0.572 -1.562 334 HG21 ILE 43 1HG2 ILE 43 -12.303 3.880 0.514 335 HG22 ILE 43 2HG2 ILE 43 -10.598 4.012 0.090 336 HG23 ILE 43 3HG2 ILE 43 -11.822 3.974 -1.179 337 HD11 ILE 43 1HD1 ILE 43 -11.996 2.591 -2.713 338 HD12 ILE 43 2HD1 ILE 43 -10.340 3.165 -2.912 339 HD13 ILE 43 3HD1 ILE 43 -10.812 1.593 -3.556 340 HA PRO 44 HA PRO 44 -12.398 4.686 3.373 341 HB2 PRO 44 1HB PRO 44 -14.821 3.904 4.316 342 HB3 PRO 44 2HB PRO 44 -14.600 4.628 2.720 343 HG2 PRO 44 1HG PRO 44 -14.884 1.744 3.469 344 HG3 PRO 44 2HG PRO 44 -15.621 2.626 2.120 345 HD2 PRO 44 1HD PRO 44 -13.445 1.045 1.810 346 HD3 PRO 44 2HD PRO 44 -13.714 2.501 0.830 347 H TYR 45 H TYR 45 -12.981 1.343 4.417 348 HA TYR 45 HA TYR 45 -12.849 1.898 7.197 349 HB2 TYR 45 1HB TYR 45 -12.364 -0.722 5.764 350 HB3 TYR 45 2HB TYR 45 -12.709 -0.528 7.478 351 HD1 TYR 45 2HD TYR 45 -14.934 1.200 7.687 352 HD2 TYR 45 1HD TYR 45 -14.141 -1.681 4.658 353 HE1 TYR 45 2HE TYR 45 -17.344 1.030 7.226 354 HE2 TYR 45 1HE TYR 45 -16.549 -1.858 4.189 355 HH TYR 45 HH TYR 45 -18.926 -0.520 6.245 356 H CYS 46 H CYS 46 -10.499 2.103 4.908 357 HA CYS 46 HA CYS 46 -8.369 1.422 6.826 358 HB2 CYS 46 1HB CYS 46 -8.452 1.253 3.823 359 HB3 CYS 46 2HB CYS 46 -6.923 1.329 4.691 360 HG CYS 46 HG CYS 46 -9.260 -1.074 5.352 361 H SER 47 H SER 47 -9.525 3.753 4.459 362 HA SER 47 HA SER 47 -7.579 5.565 4.169 363 HB2 SER 47 1HB SER 47 -9.234 7.302 4.014 364 HB3 SER 47 2HB SER 47 -9.970 5.815 3.415 365 HG SER 47 HG SER 47 -10.403 7.150 5.858 366 H SER 48 H SER 48 -9.232 4.869 7.164 367 HA SER 48 HA SER 48 -8.235 7.130 8.596 368 HB2 SER 48 1HB SER 48 -8.991 5.816 10.616 369 HB3 SER 48 2HB SER 48 -10.242 6.099 9.405 370 HG SER 48 HG SER 48 -10.310 4.024 8.974 371 H ASP 49 H ASP 49 -7.457 3.654 8.815 372 HA ASP 49 HA ASP 49 -5.237 3.931 10.490 373 HB2 ASP 49 1HB ASP 49 -5.460 1.776 8.398 374 HB3 ASP 49 2HB ASP 49 -4.744 1.674 10.004 375 H TRP 50 H TRP 50 -5.465 3.917 6.959 376 HA TRP 50 HA TRP 50 -2.781 3.871 6.301 377 HB2 TRP 50 1HB TRP 50 -4.480 3.717 4.591 378 HB3 TRP 50 2HB TRP 50 -5.056 5.340 4.958 379 HD1 TRP 50 HD TRP 50 -4.055 7.245 3.550 380 HE1 TRP 50 1HE TRP 50 -2.098 7.460 1.890 381 HE3 TRP 50 3HE TRP 50 -1.949 2.628 4.174 382 HZ2 TRP 50 2HZ TRP 50 0.052 5.881 0.968 383 HZ3 TRP 50 3HZ TRP 50 0.055 2.059 2.866 384 HH2 TRP 50 HH TRP 50 1.034 3.653 1.296 385 H ALA 51 H ALA 51 -4.755 6.561 7.407 386 HA ALA 51 HA ALA 51 -2.909 8.626 6.869 387 HB1 ALA 51 1HB ALA 51 -4.864 9.629 7.326 388 HB2 ALA 51 2HB ALA 51 -5.396 8.331 8.395 389 HB3 ALA 51 3HB ALA 51 -4.303 9.577 8.997 390 H LEU 52 H LEU 52 -3.099 6.254 9.380 391 HA LEU 52 HA LEU 52 -1.482 7.621 11.290 392 HB2 LEU 52 1HB LEU 52 -2.083 4.685 10.981 393 HB3 LEU 52 2HB LEU 52 -1.308 5.422 12.381 394 HG LEU 52 HG LEU 52 -4.138 5.920 11.456 395 HD11 LEU 52 1HD1 LEU 52 -4.834 4.653 13.342 396 HD12 LEU 52 2HD1 LEU 52 -3.180 4.516 13.940 397 HD13 LEU 52 3HD1 LEU 52 -3.656 3.676 12.464 398 HD21 LEU 52 1HD2 LEU 52 -4.187 6.976 13.827 399 HD22 LEU 52 2HD2 LEU 52 -3.541 7.908 12.476 400 HD23 LEU 52 3HD2 LEU 52 -2.443 7.118 13.608 401 H LEU 53 H LEU 53 -0.855 5.487 8.592 402 HA LEU 53 HA LEU 53 1.714 4.634 9.112 403 HB2 LEU 53 1HB LEU 53 0.206 5.263 6.627 404 HB3 LEU 53 2HB LEU 53 1.940 4.972 6.501 405 HG LEU 53 HG LEU 53 -0.081 3.035 7.630 406 HD11 LEU 53 1HD1 LEU 53 -0.281 2.087 5.608 407 HD12 LEU 53 2HD1 LEU 53 1.410 2.366 5.194 408 HD13 LEU 53 3HD1 LEU 53 0.232 3.665 5.011 409 HD21 LEU 53 1HD2 LEU 53 2.396 1.857 6.861 410 HD22 LEU 53 2HD2 LEU 53 1.639 1.903 8.453 411 HD23 LEU 53 3HD2 LEU 53 2.724 3.202 7.955 412 H ARG 54 H ARG 54 3.782 5.399 8.294 413 HA ARG 54 HA ARG 54 3.970 8.327 8.466 414 HB2 ARG 54 1HB ARG 54 6.234 6.361 8.790 415 HB3 ARG 54 2HB ARG 54 6.197 8.054 9.265 416 HG2 ARG 54 1HG ARG 54 4.253 7.301 10.817 417 HG3 ARG 54 2HG ARG 54 4.939 5.692 10.581 418 HD2 ARG 54 1HD ARG 54 7.097 6.479 11.389 419 HD3 ARG 54 2HD ARG 54 6.446 8.105 11.583 420 HE ARG 54 HE ARG 54 5.390 7.430 13.516 421 HH11 ARG 54 1HH1 ARG 54 6.667 4.665 11.829 422 HH12 ARG 54 2HH1 ARG 54 6.400 3.574 13.146 423 HH21 ARG 54 1HH2 ARG 54 5.033 6.001 15.258 424 HH22 ARG 54 2HH2 ARG 54 5.470 4.334 15.097 425 H GLU 55 H GLU 55 5.255 9.491 7.009 426 HA GLU 55 HA GLU 55 5.053 9.079 4.375 427 HB2 GLU 55 1HB GLU 55 6.038 11.103 5.311 428 HB3 GLU 55 2HB GLU 55 7.490 10.216 5.755 429 HG2 GLU 55 1HG GLU 55 7.869 9.753 3.343 430 HG3 GLU 55 2HG GLU 55 6.503 10.803 2.975 431 H GLU 56 H GLU 56 7.703 7.799 6.362 432 HA GLU 56 HA GLU 56 9.194 6.592 4.354 433 HB2 GLU 56 1HB GLU 56 8.794 5.897 7.255 434 HB3 GLU 56 2HB GLU 56 9.870 4.965 6.224 435 HG2 GLU 56 1HG GLU 56 10.111 7.931 6.657 436 HG3 GLU 56 2HG GLU 56 10.992 6.718 7.583 437 H GLU 57 H GLU 57 6.679 5.100 6.397 438 HA GLU 57 HA GLU 57 6.664 2.591 5.208 439 HB2 GLU 57 1HB GLU 57 4.208 3.983 6.270 440 HB3 GLU 57 2HB GLU 57 4.520 2.254 6.214 441 HG2 GLU 57 1HG GLU 57 6.579 2.957 7.724 442 HG3 GLU 57 2HG GLU 57 5.510 4.304 8.109 443 H LYS 58 H LYS 58 4.571 5.377 4.467 444 HA LYS 58 HA LYS 58 3.066 4.313 2.433 445 HB2 LYS 58 1HB LYS 58 4.198 7.116 2.519 446 HB3 LYS 58 2HB LYS 58 2.795 6.594 1.594 447 HG2 LYS 58 1HG LYS 58 1.847 5.883 3.895 448 HG3 LYS 58 2HG LYS 58 3.082 6.964 4.544 449 HD2 LYS 58 1HD LYS 58 2.137 8.844 3.524 450 HD3 LYS 58 2HD LYS 58 1.198 7.869 2.391 451 HE2 LYS 58 1HE LYS 58 -0.181 7.059 4.253 452 HE3 LYS 58 2HE LYS 58 0.750 8.056 5.370 453 HZ1 LYS 58 1HZ LYS 58 -1.416 9.016 4.591 454 HZ2 LYS 58 2HZ LYS 58 -0.722 9.185 3.059 455 HZ3 LYS 58 3HZ LYS 58 -0.068 10.015 4.381 456 H GLU 59 H GLU 59 6.246 5.880 2.139 457 HA GLU 59 HA GLU 59 6.514 5.651 -0.631 458 HB2 GLU 59 1HB GLU 59 7.974 6.983 0.945 459 HB3 GLU 59 2HB GLU 59 8.780 5.475 1.356 460 HG2 GLU 59 1HG GLU 59 9.362 5.200 -1.042 461 HG3 GLU 59 2HG GLU 59 8.685 6.800 -1.342 462 H LYS 60 H LYS 60 7.665 3.469 1.934 463 HA LYS 60 HA LYS 60 8.911 1.553 0.400 464 HB2 LYS 60 1HB LYS 60 9.086 1.351 2.746 465 HB3 LYS 60 2HB LYS 60 7.341 1.342 2.960 466 HG2 LYS 60 1HG LYS 60 7.300 -0.862 1.767 467 HG3 LYS 60 2HG LYS 60 9.064 -0.854 1.841 468 HD2 LYS 60 1HD LYS 60 8.484 -2.083 3.721 469 HD3 LYS 60 2HD LYS 60 8.710 -0.460 4.379 470 HE2 LYS 60 1HE LYS 60 6.176 -0.190 3.954 471 HE3 LYS 60 2HE LYS 60 6.164 -1.951 3.849 472 HZ1 LYS 60 1HZ LYS 60 5.905 -0.554 6.128 473 HZ2 LYS 60 2HZ LYS 60 7.560 -0.897 6.146 474 HZ3 LYS 60 3HZ LYS 60 6.438 -2.157 6.046 475 H TYR 61 H TYR 61 5.478 1.616 1.352 476 HA TYR 61 HA TYR 61 4.691 -0.700 0.011 477 HB2 TYR 61 1HB TYR 61 3.272 1.748 0.971 478 HB3 TYR 61 2HB TYR 61 2.409 0.632 -0.081 479 HD1 TYR 61 1HD TYR 61 4.059 1.003 3.192 480 HD2 TYR 61 2HD TYR 61 1.678 -1.505 0.714 481 HE1 TYR 61 1HE TYR 61 3.548 -0.419 5.132 482 HE2 TYR 61 2HE TYR 61 1.159 -2.934 2.647 483 HH TYR 61 HH TYR 61 1.580 -3.351 4.793 484 H ALA 62 H ALA 62 4.687 2.676 -1.093 485 HA ALA 62 HA ALA 62 3.570 2.234 -3.623 486 HB1 ALA 62 1HB ALA 62 4.575 4.421 -2.202 487 HB2 ALA 62 2HB ALA 62 5.509 4.358 -3.696 488 HB3 ALA 62 3HB ALA 62 3.749 4.444 -3.761 489 H GLU 63 H GLU 63 6.943 2.195 -2.540 490 HA GLU 63 HA GLU 63 8.151 1.902 -5.047 491 HB2 GLU 63 1HB GLU 63 9.360 2.439 -2.948 492 HB3 GLU 63 2HB GLU 63 9.105 0.786 -2.405 493 HG2 GLU 63 1HG GLU 63 10.298 0.148 -4.617 494 HG3 GLU 63 2HG GLU 63 10.880 1.811 -4.572 495 H MET 64 H MET 64 7.365 -0.622 -2.651 496 HA MET 64 HA MET 64 8.084 -2.822 -4.192 497 HB2 MET 64 1HB MET 64 6.850 -4.153 -2.661 498 HB3 MET 64 2HB MET 64 7.479 -2.795 -1.738 499 HG2 MET 64 1HG MET 64 5.406 -1.825 -1.491 500 HG3 MET 64 2HG MET 64 4.741 -2.642 -2.903 501 HE1 MET 64 1HE MET 64 6.423 -4.620 0.545 502 HE2 MET 64 2HE MET 64 6.192 -2.874 0.459 503 HE3 MET 64 3HE MET 64 5.058 -3.869 1.372 504 H ALA 65 H ALA 65 5.185 -0.872 -4.245 505 HA ALA 65 HA ALA 65 3.577 -2.654 -5.759 506 HB1 ALA 65 1HB ALA 65 3.028 -0.429 -4.396 507 HB2 ALA 65 2HB ALA 65 3.125 0.259 -6.017 508 HB3 ALA 65 3HB ALA 65 1.985 -1.043 -5.678 509 H ARG 66 H ARG 66 5.316 0.310 -6.726 510 HA ARG 66 HA ARG 66 4.842 0.151 -9.454 511 HB2 ARG 66 1HB ARG 66 7.266 1.239 -8.011 512 HB3 ARG 66 2HB ARG 66 6.898 1.531 -9.706 513 HG2 ARG 66 1HG ARG 66 4.719 2.540 -8.937 514 HG3 ARG 66 2HG ARG 66 5.368 2.463 -7.296 515 HD2 ARG 66 1HD ARG 66 7.025 3.723 -9.423 516 HD3 ARG 66 2HD ARG 66 5.643 4.620 -8.797 517 HE ARG 66 HE ARG 66 6.756 4.902 -6.804 518 HH11 ARG 66 1HH1 ARG 66 8.432 2.568 -8.771 519 HH12 ARG 66 2HH1 ARG 66 9.833 2.524 -7.754 520 HH21 ARG 66 1HH2 ARG 66 8.596 4.852 -5.457 521 HH22 ARG 66 2HH2 ARG 66 9.926 3.823 -5.869 522 H GLU 67 H GLU 67 7.700 -1.031 -7.676 523 HA GLU 67 HA GLU 67 9.012 -2.197 -9.838 524 HB2 GLU 67 1HB GLU 67 10.344 -3.362 -8.252 525 HB3 GLU 67 2HB GLU 67 9.935 -1.816 -7.522 526 HG2 GLU 67 1HG GLU 67 8.100 -2.963 -6.289 527 HG3 GLU 67 2HG GLU 67 8.706 -4.494 -6.919 528 H TRP 68 H TRP 68 6.563 -3.533 -7.670 529 HA TRP 68 HA TRP 68 6.634 -6.187 -8.514 530 HB2 TRP 68 1HB TRP 68 5.375 -5.533 -6.553 531 HB3 TRP 68 2HB TRP 68 4.301 -4.535 -7.529 532 HD1 TRP 68 HD TRP 68 5.271 -8.293 -7.302 533 HE1 TRP 68 1HE TRP 68 3.155 -9.680 -7.769 534 HE3 TRP 68 3HE TRP 68 2.004 -4.484 -8.276 535 HZ2 TRP 68 2HZ TRP 68 0.456 -9.221 -8.459 536 HZ3 TRP 68 3HZ TRP 68 -0.327 -5.043 -8.832 537 HH2 TRP 68 HH TRP 68 -1.083 -7.363 -8.921 538 H ARG 69 H ARG 69 4.432 -3.607 -9.628 539 HA ARG 69 HA ARG 69 3.182 -5.058 -11.646 540 HB2 ARG 69 1HB ARG 69 3.675 -2.127 -11.226 541 HB3 ARG 69 2HB ARG 69 2.901 -2.694 -12.699 542 HG2 ARG 69 1HG ARG 69 1.043 -3.524 -11.537 543 HG3 ARG 69 2HG ARG 69 1.878 -3.449 -9.984 544 HD2 ARG 69 1HD ARG 69 0.603 -1.570 -9.804 545 HD3 ARG 69 2HD ARG 69 2.017 -0.880 -10.599 546 HE ARG 69 HE ARG 69 -0.617 -1.259 -11.738 547 HH11 ARG 69 1HH1 ARG 69 2.756 -0.635 -12.331 548 HH12 ARG 69 2HH1 ARG 69 2.486 0.078 -13.886 549 HH21 ARG 69 1HH2 ARG 69 -0.987 -0.321 -13.784 550 HH22 ARG 69 2HH2 ARG 69 0.356 0.257 -14.711 551 H ALA 70 H ALA 70 6.118 -3.078 -11.765 552 HA ALA 70 HA ALA 70 6.610 -3.149 -14.494 553 HB1 ALA 70 1HB ALA 70 8.409 -2.000 -13.890 554 HB2 ALA 70 2HB ALA 70 7.982 -2.301 -12.206 555 HB3 ALA 70 3HB ALA 70 9.077 -3.398 -13.047 556 H ALA 71 H ALA 71 7.667 -5.449 -11.994 557 HA ALA 71 HA ALA 71 8.927 -7.198 -13.879 558 HB1 ALA 71 1HB ALA 71 9.861 -8.034 -12.049 559 HB2 ALA 71 2HB ALA 71 8.905 -6.905 -11.087 560 HB3 ALA 71 3HB ALA 71 8.287 -8.523 -11.420 561 H GLN 72 H GLN 72 5.748 -6.910 -12.483 562 HA GLN 72 HA GLN 72 4.821 -9.520 -13.041 563 HB2 GLN 72 1HB GLN 72 3.495 -6.888 -12.498 564 HB3 GLN 72 2HB GLN 72 2.528 -8.257 -13.033 565 HG2 GLN 72 1HG GLN 72 4.198 -8.050 -10.543 566 HG3 GLN 72 2HG GLN 72 2.444 -8.187 -10.662 567 HE21 GLN 72 1HE2 GLN 72 4.809 -9.845 -9.539 568 HE22 GLN 72 2HE2 GLN 72 4.418 -11.453 -10.037 569 H GLY 73 H GLY 73 5.231 -6.684 -15.000 570 HA2 GLY 73 1HA GLY 73 5.329 -7.680 -17.447 571 HA3 GLY 73 2HA GLY 73 3.598 -7.783 -17.159 572 H LYS 74 H LYS 74 6.128 -5.341 -16.551 573 HA LYS 74 HA LYS 74 4.754 -3.465 -18.290 574 HB2 LYS 74 1HB LYS 74 4.794 -3.251 -15.324 575 HB3 LYS 74 2HB LYS 74 5.055 -1.772 -16.240 576 HG2 LYS 74 1HG LYS 74 2.703 -3.597 -16.670 577 HG3 LYS 74 2HG LYS 74 2.686 -2.217 -15.571 578 HD2 LYS 74 1HD LYS 74 3.438 -1.953 -18.471 579 HD3 LYS 74 2HD LYS 74 1.766 -1.842 -17.917 580 HE2 LYS 74 1HE LYS 74 3.812 -0.183 -16.540 581 HE3 LYS 74 2HE LYS 74 3.310 0.298 -18.161 582 HZ1 LYS 74 1HZ LYS 74 1.190 0.744 -17.471 583 HZ2 LYS 74 2HZ LYS 74 2.047 1.167 -16.075 584 HZ3 LYS 74 3HZ LYS 74 1.252 -0.324 -16.161 585 H ASP 75 H ASP 75 6.108 -1.989 -19.189 586 HA ASP 75 HA ASP 75 8.912 -2.058 -18.286 587 HB2 ASP 75 1HB ASP 75 8.157 -2.919 -20.660 588 HB3 ASP 75 2HB ASP 75 8.160 -1.201 -21.051 589 HA PRO 76 HA PRO 76 7.734 2.225 -17.345 590 HB2 PRO 76 1HB PRO 76 9.745 2.602 -15.560 591 HB3 PRO 76 2HB PRO 76 8.228 1.796 -15.143 592 HG2 PRO 76 1HG PRO 76 10.882 0.597 -15.835 593 HG3 PRO 76 2HG PRO 76 9.746 0.134 -14.555 594 HD2 PRO 76 1HD PRO 76 9.926 -1.210 -16.899 595 HD3 PRO 76 2HD PRO 76 8.401 -1.051 -16.004 596 H GLY 77 H GLY 77 10.496 0.801 -18.757 597 HA2 GLY 77 1HA GLY 77 11.388 2.155 -20.653 598 HA3 GLY 77 2HA GLY 77 11.521 3.473 -19.498 599 HA PRO 78 HA PRO 78 15.682 1.554 -19.689 600 HB2 PRO 78 1HB PRO 78 17.010 3.902 -19.379 601 HB3 PRO 78 2HB PRO 78 16.437 3.322 -20.948 602 HG2 PRO 78 1HG PRO 78 15.200 5.332 -19.104 603 HG3 PRO 78 2HG PRO 78 15.376 5.390 -20.868 604 HD2 PRO 78 1HD PRO 78 13.055 4.699 -19.656 605 HD3 PRO 78 2HD PRO 78 13.554 4.022 -21.220 606 H SER 79 H SER 79 14.121 3.699 -17.422 607 HA SER 79 HA SER 79 15.997 3.772 -15.371 608 HB2 SER 79 1HB SER 79 14.027 4.124 -13.860 609 HB3 SER 79 2HB SER 79 14.031 5.170 -15.280 610 HG SER 79 HG SER 79 12.351 3.038 -14.635 611 H GLU 80 H GLU 80 16.748 2.326 -13.960 612 HA GLU 80 HA GLU 80 15.201 -0.081 -13.378 613 HB2 GLU 80 1HB GLU 80 16.721 -0.604 -15.291 614 HB3 GLU 80 2HB GLU 80 18.089 -0.207 -14.259 615 HG2 GLU 80 1HG GLU 80 17.572 -2.648 -14.489 616 HG3 GLU 80 2HG GLU 80 17.676 -2.043 -12.837 617 H LYS 81 H LYS 81 15.964 -1.235 -11.490 618 HA LYS 81 HA LYS 81 18.057 -0.294 -9.848 619 HB2 LYS 81 1HB LYS 81 16.298 1.584 -9.708 620 HB3 LYS 81 2HB LYS 81 15.348 0.444 -8.763 621 HG2 LYS 81 1HG LYS 81 16.419 1.516 -7.076 622 HG3 LYS 81 2HG LYS 81 17.608 0.252 -7.400 623 HD2 LYS 81 1HD LYS 81 18.982 1.730 -8.633 624 HD3 LYS 81 2HD LYS 81 17.713 2.954 -8.723 625 HE2 LYS 81 1HE LYS 81 19.012 2.045 -6.158 626 HE3 LYS 81 2HE LYS 81 19.528 3.456 -7.079 627 HZ1 LYS 81 1HZ LYS 81 18.100 4.404 -5.593 628 HZ2 LYS 81 2HZ LYS 81 17.085 3.054 -5.511 629 HZ3 LYS 81 3HZ LYS 81 17.019 4.080 -6.854 630 H GLN 82 H GLN 82 18.622 -1.983 -8.650 631 HA GLN 82 HA GLN 82 16.874 -4.249 -8.405 632 HB2 GLN 82 1HB GLN 82 19.685 -3.677 -7.492 633 HB3 GLN 82 2HB GLN 82 18.849 -5.158 -7.042 634 HG2 GLN 82 1HG GLN 82 19.105 -4.327 -9.907 635 HG3 GLN 82 2HG GLN 82 20.396 -5.197 -9.080 636 HE21 GLN 82 1HE2 GLN 82 20.295 -7.335 -9.025 637 HE22 GLN 82 2HE2 GLN 82 18.913 -8.288 -9.433 638 H LYS 83 H LYS 83 15.164 -3.365 -7.146 639 HA LYS 83 HA LYS 83 15.834 -3.122 -4.286 640 HB2 LYS 83 1HB LYS 83 13.751 -1.611 -5.868 641 HB3 LYS 83 2HB LYS 83 13.825 -1.618 -4.111 642 HG2 LYS 83 1HG LYS 83 16.098 -0.713 -5.859 643 HG3 LYS 83 2HG LYS 83 14.858 0.371 -5.224 644 HD2 LYS 83 1HD LYS 83 15.584 0.136 -3.043 645 HD3 LYS 83 2HD LYS 83 16.344 -1.426 -3.355 646 HE2 LYS 83 1HE LYS 83 17.377 1.065 -4.658 647 HE3 LYS 83 2HE LYS 83 17.837 0.660 -3.004 648 HZ1 LYS 83 1HZ LYS 83 18.163 -1.642 -4.514 649 HZ2 LYS 83 2HZ LYS 83 19.375 -0.671 -3.845 650 HZ3 LYS 83 3HZ LYS 83 18.841 -0.387 -5.424 651 HA PRO 84 HA PRO 84 13.018 -6.730 -4.776 652 HB2 PRO 84 1HB PRO 84 14.208 -8.191 -2.822 653 HB3 PRO 84 2HB PRO 84 14.791 -8.163 -4.490 654 HG2 PRO 84 1HG PRO 84 15.796 -6.655 -2.108 655 HG3 PRO 84 2HG PRO 84 16.716 -7.484 -3.377 656 HD2 PRO 84 1HD PRO 84 16.347 -4.802 -3.361 657 HD3 PRO 84 2HD PRO 84 16.479 -5.738 -4.863 658 H VAL 85 H VAL 85 11.931 -7.987 -2.856 659 HA VAL 85 HA VAL 85 11.503 -6.387 -0.483 660 HB VAL 85 HB VAL 85 9.941 -5.293 -1.957 661 HG11 VAL 85 1HG1 VAL 85 9.404 -8.048 -2.835 662 HG12 VAL 85 2HG1 VAL 85 7.983 -7.010 -2.694 663 HG13 VAL 85 3HG1 VAL 85 9.327 -6.533 -3.733 664 HG21 VAL 85 1HG2 VAL 85 9.089 -5.452 0.223 665 HG22 VAL 85 2HG2 VAL 85 7.759 -5.964 -0.814 666 HG23 VAL 85 3HG2 VAL 85 8.718 -7.167 0.047 667 H PHE 86 H PHE 86 10.600 -7.540 1.212 668 HA PHE 86 HA PHE 86 10.371 -10.432 0.745 669 HB2 PHE 86 1HB PHE 86 10.552 -10.337 3.394 670 HB3 PHE 86 2HB PHE 86 11.982 -10.273 2.369 671 HD1 PHE 86 1HD PHE 86 9.455 -7.880 3.725 672 HD2 PHE 86 2HD PHE 86 13.556 -8.723 2.957 673 HE1 PHE 86 1HE PHE 86 10.083 -5.733 4.747 674 HE2 PHE 86 2HE PHE 86 14.192 -6.577 3.979 675 HZ PHE 86 HZ PHE 86 12.454 -5.079 4.875 676 H THR 87 H THR 87 8.870 -11.544 2.376 677 HA THR 87 HA THR 87 6.620 -11.982 2.669 678 HB THR 87 HB THR 87 5.672 -10.705 4.499 679 HG1 THR 87 1HG THR 87 6.314 -8.609 3.726 680 HG21 THR 87 1HG2 THR 87 8.398 -10.556 5.481 681 HG22 THR 87 2HG2 THR 87 8.105 -12.043 4.580 682 HG23 THR 87 3HG2 THR 87 7.087 -11.633 5.960 683 H SER 88 H SER 88 6.771 -10.915 0.208 684 HA SER 88 HA SER 88 4.689 -8.837 0.114 685 HB2 SER 88 1HB SER 88 5.500 -8.239 -2.066 686 HB3 SER 88 2HB SER 88 6.901 -8.364 -1.002 687 HG SER 88 HG SER 88 6.832 -10.692 -1.884 688 H GLY 89 H GLY 89 2.783 -9.198 -0.905 689 HA2 GLY 89 1HA GLY 89 1.594 -10.401 -2.706 690 HA3 GLY 89 2HA GLY 89 2.435 -11.848 -2.169 691 HA PRO 90 HA PRO 90 -0.988 -10.692 1.095 692 HB2 PRO 90 1HB PRO 90 -3.020 -9.200 0.089 693 HB3 PRO 90 2HB PRO 90 -1.604 -8.490 0.872 694 HG2 PRO 90 1HG PRO 90 -2.193 -8.814 -2.045 695 HG3 PRO 90 2HG PRO 90 -1.507 -7.420 -1.191 696 HD2 PRO 90 1HD PRO 90 0.020 -9.174 -2.577 697 HD3 PRO 90 2HD PRO 90 0.605 -8.342 -1.122 698 H SER 91 H SER 91 -2.879 -11.882 1.438 699 HA SER 91 HA SER 91 -3.626 -13.614 -0.796 700 HB2 SER 91 1HB SER 91 -3.715 -13.847 2.175 701 HB3 SER 91 2HB SER 91 -4.915 -14.746 1.247 702 HG SER 91 HG SER 91 -2.254 -14.889 0.419 703 H SER 92 H SER 92 -5.189 -12.715 -2.002 704 HA SER 92 HA SER 92 -7.390 -11.300 -0.707 705 HB2 SER 92 1HB SER 92 -6.723 -11.644 -3.641 706 HB3 SER 92 2HB SER 92 -8.034 -10.652 -3.004 707 HG SER 92 HG SER 92 -5.251 -10.294 -2.586 708 H GLY 93 H GLY 93 -9.600 -11.806 -1.175 709 HA2 GLY 93 1HA GLY 93 -11.379 -13.245 -1.351 710 HA3 GLY 93 2HA GLY 93 -10.468 -14.039 -2.626 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -3.717 11.237 -19.688 2 HA2 GLY 1 1HA GLY 1 -1.310 11.026 -18.943 3 HA3 GLY 1 2HA GLY 1 -2.394 9.857 -18.203 4 H SER 2 H SER 2 -0.104 8.876 -18.029 5 HA SER 2 HA SER 2 1.130 7.750 -20.294 6 HB2 SER 2 1HB SER 2 2.139 8.030 -17.981 7 HB3 SER 2 2HB SER 2 1.227 6.599 -17.502 8 HG SER 2 HG SER 2 2.866 6.515 -19.782 9 H SER 3 H SER 3 -0.765 6.068 -17.779 10 HA SER 3 HA SER 3 -1.075 3.713 -19.335 11 HB2 SER 3 1HB SER 3 -1.177 3.585 -16.916 12 HB3 SER 3 2HB SER 3 -2.558 4.681 -16.880 13 HG SER 3 HG SER 3 -2.795 2.374 -18.421 14 H GLY 4 H GLY 4 -1.950 4.282 -21.329 15 HA2 GLY 4 1HA GLY 4 -4.825 4.451 -21.374 16 HA3 GLY 4 2HA GLY 4 -4.038 5.912 -21.954 17 H SER 5 H SER 5 -4.078 2.391 -22.434 18 HA SER 5 HA SER 5 -3.334 2.845 -25.244 19 HB2 SER 5 1HB SER 5 -3.217 0.237 -23.715 20 HB3 SER 5 2HB SER 5 -2.527 0.574 -25.302 21 HG SER 5 HG SER 5 -1.731 2.194 -23.178 22 H SER 6 H SER 6 -4.531 1.933 -26.902 23 HA SER 6 HA SER 6 -7.208 0.982 -26.122 24 HB2 SER 6 1HB SER 6 -6.254 2.709 -28.377 25 HB3 SER 6 2HB SER 6 -7.715 1.744 -28.586 26 HG SER 6 HG SER 6 -7.657 4.056 -27.535 27 H GLY 7 H GLY 7 -7.343 -1.156 -26.311 28 HA2 GLY 7 1HA GLY 7 -7.139 -2.491 -28.761 29 HA3 GLY 7 2HA GLY 7 -5.634 -2.749 -27.890 30 H MET 8 H MET 8 -5.710 -4.790 -27.188 31 HA MET 8 HA MET 8 -7.778 -6.445 -26.717 32 HB2 MET 8 1HB MET 8 -6.374 -7.578 -24.991 33 HB3 MET 8 2HB MET 8 -5.520 -7.233 -26.489 34 HG2 MET 8 1HG MET 8 -5.357 -5.257 -24.278 35 HG3 MET 8 2HG MET 8 -4.442 -6.756 -24.142 36 HE1 MET 8 1HE MET 8 -1.805 -6.895 -25.621 37 HE2 MET 8 2HE MET 8 -3.280 -7.717 -26.130 38 HE3 MET 8 3HE MET 8 -2.332 -6.800 -27.301 39 HA PRO 9 HA PRO 9 -10.225 -4.867 -23.420 40 HB2 PRO 9 1HB PRO 9 -11.342 -7.179 -22.542 41 HB3 PRO 9 2HB PRO 9 -11.812 -6.401 -24.057 42 HG2 PRO 9 1HG PRO 9 -9.955 -8.705 -23.608 43 HG3 PRO 9 2HG PRO 9 -11.202 -8.499 -24.851 44 HD2 PRO 9 1HD PRO 9 -8.571 -8.086 -25.343 45 HD3 PRO 9 2HD PRO 9 -9.851 -7.170 -26.164 46 H ASN 10 H ASN 10 -7.438 -6.561 -22.967 47 HA ASN 10 HA ASN 10 -7.252 -7.687 -20.559 48 HB2 ASN 10 1HB ASN 10 -5.334 -7.058 -22.074 49 HB3 ASN 10 2HB ASN 10 -5.374 -5.454 -21.348 50 HD21 ASN 10 1HD2 ASN 10 -4.585 -8.790 -20.892 51 HD22 ASN 10 2HD2 ASN 10 -3.731 -8.600 -19.401 52 H ARG 11 H ARG 11 -8.066 -7.256 -18.627 53 HA ARG 11 HA ARG 11 -9.386 -5.041 -17.790 54 HB2 ARG 11 1HB ARG 11 -7.672 -6.882 -16.112 55 HB3 ARG 11 2HB ARG 11 -8.830 -5.733 -15.452 56 HG2 ARG 11 1HG ARG 11 -10.639 -6.958 -16.117 57 HG3 ARG 11 2HG ARG 11 -9.780 -7.696 -17.471 58 HD2 ARG 11 1HD ARG 11 -8.615 -9.181 -16.033 59 HD3 ARG 11 2HD ARG 11 -9.137 -8.304 -14.595 60 HE ARG 11 HE ARG 11 -11.460 -9.128 -15.749 61 HH11 ARG 11 1HH1 ARG 11 -8.545 -10.728 -14.717 62 HH12 ARG 11 2HH1 ARG 11 -9.342 -12.218 -14.337 63 HH21 ARG 11 1HH2 ARG 11 -12.521 -11.085 -15.252 64 HH22 ARG 11 2HH2 ARG 11 -11.603 -12.421 -14.643 65 H LYS 12 H LYS 12 -8.916 -3.178 -16.599 66 HA LYS 12 HA LYS 12 -6.079 -2.386 -16.559 67 HB2 LYS 12 1HB LYS 12 -7.283 -1.256 -18.389 68 HB3 LYS 12 2HB LYS 12 -8.444 -0.625 -17.229 69 HG2 LYS 12 1HG LYS 12 -6.674 0.645 -16.134 70 HG3 LYS 12 2HG LYS 12 -5.499 0.003 -17.283 71 HD2 LYS 12 1HD LYS 12 -7.929 1.404 -18.306 72 HD3 LYS 12 2HD LYS 12 -6.590 2.357 -17.664 73 HE2 LYS 12 1HE LYS 12 -5.091 1.021 -19.219 74 HE3 LYS 12 2HE LYS 12 -6.572 0.440 -19.982 75 HZ1 LYS 12 1HZ LYS 12 -5.611 3.241 -19.816 76 HZ2 LYS 12 2HZ LYS 12 -7.168 2.824 -20.328 77 HZ3 LYS 12 3HZ LYS 12 -5.821 2.304 -21.209 78 H ALA 13 H ALA 13 -5.645 -2.605 -14.425 79 HA ALA 13 HA ALA 13 -7.404 -1.181 -12.536 80 HB1 ALA 13 1HB ALA 13 -7.458 -3.443 -11.922 81 HB2 ALA 13 2HB ALA 13 -5.726 -3.645 -12.182 82 HB3 ALA 13 3HB ALA 13 -6.307 -2.703 -10.810 83 H SER 14 H SER 14 -6.444 0.059 -10.882 84 HA SER 14 HA SER 14 -3.653 0.833 -11.427 85 HB2 SER 14 1HB SER 14 -4.240 3.084 -10.611 86 HB3 SER 14 2HB SER 14 -5.237 2.622 -11.990 87 HG SER 14 HG SER 14 -6.202 3.550 -9.886 88 H ARG 15 H ARG 15 -2.803 -0.660 -9.942 89 HA ARG 15 HA ARG 15 -3.630 -0.480 -7.159 90 HB2 ARG 15 1HB ARG 15 -1.654 -2.238 -8.611 91 HB3 ARG 15 2HB ARG 15 -1.850 -2.265 -6.863 92 HG2 ARG 15 1HG ARG 15 -3.918 -3.248 -6.969 93 HG3 ARG 15 2HG ARG 15 -4.251 -2.624 -8.585 94 HD2 ARG 15 1HD ARG 15 -2.468 -4.161 -9.444 95 HD3 ARG 15 2HD ARG 15 -2.391 -4.871 -7.832 96 HE ARG 15 HE ARG 15 -5.018 -5.047 -8.477 97 HH11 ARG 15 1HH1 ARG 15 -2.076 -6.030 -10.058 98 HH12 ARG 15 2HH1 ARG 15 -2.804 -7.383 -10.858 99 HH21 ARG 15 1HH2 ARG 15 -5.988 -6.826 -9.525 100 HH22 ARG 15 2HH2 ARG 15 -5.029 -7.835 -10.555 101 H ASN 16 H ASN 16 -2.728 0.890 -5.781 102 HA ASN 16 HA ASN 16 0.052 1.737 -6.250 103 HB2 ASN 16 1HB ASN 16 -1.618 3.517 -6.833 104 HB3 ASN 16 2HB ASN 16 -2.143 3.504 -5.151 105 HD21 ASN 16 1HD2 ASN 16 0.515 4.202 -7.314 106 HD22 ASN 16 2HD2 ASN 16 1.368 5.249 -6.236 107 H ALA 17 H ALA 17 0.937 2.841 -4.180 108 HA ALA 17 HA ALA 17 1.407 1.087 -2.211 109 HB1 ALA 17 1HB ALA 17 2.636 3.013 -1.994 110 HB2 ALA 17 2HB ALA 17 1.227 4.062 -2.161 111 HB3 ALA 17 3HB ALA 17 1.504 3.191 -0.653 112 H TYR 18 H TYR 18 -1.332 3.357 -2.195 113 HA TYR 18 HA TYR 18 -2.428 2.648 0.259 114 HB2 TYR 18 1HB TYR 18 -3.117 4.579 -1.212 115 HB3 TYR 18 2HB TYR 18 -4.022 3.427 -2.187 116 HD1 TYR 18 2HD TYR 18 -3.648 3.866 1.507 117 HD2 TYR 18 1HD TYR 18 -6.281 3.736 -1.832 118 HE1 TYR 18 2HE TYR 18 -5.570 4.102 3.022 119 HE2 TYR 18 1HE TYR 18 -8.211 3.973 -0.326 120 HH TYR 18 HH TYR 18 -7.778 4.204 3.194 121 H TYR 19 H TYR 19 -3.072 1.296 -2.960 122 HA TYR 19 HA TYR 19 -5.048 -0.534 -2.207 123 HB2 TYR 19 1HB TYR 19 -4.738 -0.081 -4.528 124 HB3 TYR 19 2HB TYR 19 -3.047 -0.566 -4.466 125 HD1 TYR 19 1HD TYR 19 -2.593 -3.052 -3.837 126 HD2 TYR 19 2HD TYR 19 -6.342 -1.604 -5.235 127 HE1 TYR 19 1HE TYR 19 -3.219 -5.335 -4.503 128 HE2 TYR 19 2HE TYR 19 -6.978 -3.884 -5.905 129 HH TYR 19 HH TYR 19 -4.709 -6.581 -5.629 130 H PHE 20 H PHE 20 -1.527 -0.840 -2.303 131 HA PHE 20 HA PHE 20 -1.386 -3.584 -1.705 132 HB2 PHE 20 1HB PHE 20 0.495 -1.283 -1.591 133 HB3 PHE 20 2HB PHE 20 0.932 -2.727 -0.684 134 HD1 PHE 20 2HD PHE 20 -0.637 -2.139 -4.020 135 HD2 PHE 20 1HD PHE 20 2.505 -3.959 -1.799 136 HE1 PHE 20 2HE PHE 20 0.219 -3.170 -6.083 137 HE2 PHE 20 1HE PHE 20 3.367 -4.992 -3.859 138 HZ PHE 20 HZ PHE 20 2.224 -4.599 -6.004 139 H PHE 21 H PHE 21 -1.605 -0.729 0.339 140 HA PHE 21 HA PHE 21 -1.167 -2.135 2.789 141 HB2 PHE 21 1HB PHE 21 -0.671 0.231 2.675 142 HB3 PHE 21 2HB PHE 21 -2.334 0.597 2.228 143 HD1 PHE 21 1HD PHE 21 -0.231 -0.752 4.965 144 HD2 PHE 21 2HD PHE 21 -3.951 0.999 3.863 145 HE1 PHE 21 1HE PHE 21 -0.802 -0.478 7.342 146 HE2 PHE 21 2HE PHE 21 -4.527 1.277 6.239 147 HZ PHE 21 HZ PHE 21 -2.952 0.539 7.982 148 H VAL 22 H VAL 22 -4.010 -1.052 0.997 149 HA VAL 22 HA VAL 22 -5.913 -1.784 2.971 150 HB VAL 22 HB VAL 22 -6.187 -1.334 0.001 151 HG11 VAL 22 1HG1 VAL 22 -8.678 -1.143 0.636 152 HG12 VAL 22 2HG1 VAL 22 -7.984 -2.752 0.433 153 HG13 VAL 22 3HG1 VAL 22 -8.236 -2.098 2.051 154 HG21 VAL 22 1HG2 VAL 22 -7.572 0.640 1.093 155 HG22 VAL 22 2HG2 VAL 22 -6.481 0.334 2.444 156 HG23 VAL 22 3HG2 VAL 22 -5.828 0.751 0.860 157 H GLN 23 H GLN 23 -4.645 -3.427 0.098 158 HA GLN 23 HA GLN 23 -6.300 -5.670 0.141 159 HB2 GLN 23 1HB GLN 23 -4.577 -4.937 -1.626 160 HB3 GLN 23 2HB GLN 23 -3.398 -5.796 -0.644 161 HG2 GLN 23 1HG GLN 23 -5.887 -7.200 -1.477 162 HG3 GLN 23 2HG GLN 23 -4.590 -6.971 -2.647 163 HE21 GLN 23 1HE2 GLN 23 -2.351 -7.500 -1.622 164 HE22 GLN 23 2HE2 GLN 23 -2.277 -9.014 -0.795 165 H GLU 24 H GLU 24 -3.304 -5.003 1.882 166 HA GLU 24 HA GLU 24 -3.140 -7.625 3.032 167 HB2 GLU 24 1HB GLU 24 -1.671 -5.044 3.419 168 HB3 GLU 24 2HB GLU 24 -1.476 -6.339 4.591 169 HG2 GLU 24 1HG GLU 24 -0.911 -6.521 1.641 170 HG3 GLU 24 2HG GLU 24 0.288 -6.386 2.926 171 H LYS 25 H LYS 25 -5.301 -5.253 3.519 172 HA LYS 25 HA LYS 25 -5.589 -5.855 6.390 173 HB2 LYS 25 1HB LYS 25 -6.430 -3.397 4.846 174 HB3 LYS 25 2HB LYS 25 -6.875 -3.711 6.519 175 HG2 LYS 25 1HG LYS 25 -3.996 -3.735 5.750 176 HG3 LYS 25 2HG LYS 25 -4.833 -2.193 5.946 177 HD2 LYS 25 1HD LYS 25 -5.385 -2.696 8.212 178 HD3 LYS 25 2HD LYS 25 -4.834 -4.363 8.037 179 HE2 LYS 25 1HE LYS 25 -2.620 -3.785 8.139 180 HE3 LYS 25 2HE LYS 25 -2.900 -2.170 7.489 181 HZ1 LYS 25 1HZ LYS 25 -3.730 -1.436 9.565 182 HZ2 LYS 25 2HZ LYS 25 -2.286 -2.253 9.891 183 HZ3 LYS 25 3HZ LYS 25 -3.771 -3.004 10.199 184 H ILE 26 H ILE 26 -7.074 -5.877 3.269 185 HA ILE 26 HA ILE 26 -9.742 -5.914 3.662 186 HB ILE 26 HB ILE 26 -7.976 -7.486 1.871 187 HG12 ILE 26 1HG1 ILE 26 -10.418 -5.760 1.408 188 HG13 ILE 26 2HG1 ILE 26 -8.748 -5.215 1.307 189 HG21 ILE 26 1HG2 ILE 26 -10.785 -8.255 2.541 190 HG22 ILE 26 2HG2 ILE 26 -10.163 -8.500 0.909 191 HG23 ILE 26 3HG2 ILE 26 -9.375 -9.281 2.279 192 HD11 ILE 26 1HD1 ILE 26 -9.129 -5.581 -0.889 193 HD12 ILE 26 2HD1 ILE 26 -8.625 -7.211 -0.442 194 HD13 ILE 26 3HD1 ILE 26 -10.339 -6.827 -0.586 195 HA PRO 27 HA PRO 27 -9.737 -10.510 5.161 196 HB2 PRO 27 1HB PRO 27 -7.334 -11.610 5.783 197 HB3 PRO 27 2HB PRO 27 -8.036 -11.691 4.163 198 HG2 PRO 27 1HG PRO 27 -5.945 -9.834 5.232 199 HG3 PRO 27 2HG PRO 27 -6.001 -10.678 3.674 200 HD2 PRO 27 1HD PRO 27 -6.677 -8.070 3.942 201 HD3 PRO 27 2HD PRO 27 -7.442 -9.138 2.748 202 H GLU 28 H GLU 28 -7.569 -8.135 6.478 203 HA GLU 28 HA GLU 28 -7.503 -9.159 9.140 204 HB2 GLU 28 1HB GLU 28 -5.737 -7.696 8.440 205 HB3 GLU 28 2HB GLU 28 -6.880 -6.438 7.991 206 HG2 GLU 28 1HG GLU 28 -5.748 -5.913 10.077 207 HG3 GLU 28 2HG GLU 28 -7.482 -6.120 10.320 208 H LEU 29 H LEU 29 -9.623 -7.023 7.366 209 HA LEU 29 HA LEU 29 -11.027 -6.125 9.723 210 HB2 LEU 29 1HB LEU 29 -11.665 -5.814 6.794 211 HB3 LEU 29 2HB LEU 29 -12.541 -5.035 8.110 212 HG LEU 29 HG LEU 29 -9.605 -4.561 7.757 213 HD11 LEU 29 1HD1 LEU 29 -9.838 -3.321 5.929 214 HD12 LEU 29 2HD1 LEU 29 -11.259 -2.504 6.578 215 HD13 LEU 29 3HD1 LEU 29 -11.436 -4.043 5.737 216 HD21 LEU 29 1HD2 LEU 29 -11.290 -3.816 9.705 217 HD22 LEU 29 2HD2 LEU 29 -11.518 -2.470 8.588 218 HD23 LEU 29 3HD2 LEU 29 -9.906 -2.846 9.198 219 H ARG 30 H ARG 30 -11.660 -8.321 7.012 220 HA ARG 30 HA ARG 30 -14.243 -9.040 7.394 221 HB2 ARG 30 1HB ARG 30 -11.866 -10.769 6.730 222 HB3 ARG 30 2HB ARG 30 -13.509 -11.395 6.722 223 HG2 ARG 30 1HG ARG 30 -14.116 -9.689 5.045 224 HG3 ARG 30 2HG ARG 30 -12.431 -9.163 5.013 225 HD2 ARG 30 1HD ARG 30 -12.878 -10.667 3.164 226 HD3 ARG 30 2HD ARG 30 -11.758 -11.415 4.302 227 HE ARG 30 HE ARG 30 -14.376 -12.186 4.955 228 HH11 ARG 30 1HH1 ARG 30 -11.985 -12.661 2.470 229 HH12 ARG 30 2HH1 ARG 30 -12.558 -14.239 2.039 230 HH21 ARG 30 1HH2 ARG 30 -15.140 -14.262 4.396 231 HH22 ARG 30 2HH2 ARG 30 -14.353 -15.147 3.134 232 H ARG 31 H ARG 31 -11.479 -10.124 9.310 233 HA ARG 31 HA ARG 31 -12.949 -11.959 10.907 234 HB2 ARG 31 1HB ARG 31 -10.314 -10.572 11.433 235 HB3 ARG 31 2HB ARG 31 -10.959 -11.900 12.389 236 HG2 ARG 31 1HG ARG 31 -10.986 -13.236 10.226 237 HG3 ARG 31 2HG ARG 31 -9.990 -11.945 9.552 238 HD2 ARG 31 1HD ARG 31 -8.273 -12.335 11.169 239 HD3 ARG 31 2HD ARG 31 -9.297 -13.457 12.063 240 HE ARG 31 HE ARG 31 -9.059 -14.480 9.506 241 HH11 ARG 31 1HH1 ARG 31 -6.949 -13.714 12.166 242 HH12 ARG 31 2HH1 ARG 31 -5.792 -14.943 11.773 243 HH21 ARG 31 1HH2 ARG 31 -7.545 -16.102 8.979 244 HH22 ARG 31 2HH2 ARG 31 -6.132 -16.301 9.959 245 H ARG 32 H ARG 32 -12.024 -8.571 11.287 246 HA ARG 32 HA ARG 32 -12.798 -8.187 13.932 247 HB2 ARG 32 1HB ARG 32 -12.714 -6.342 11.556 248 HB3 ARG 32 2HB ARG 32 -13.239 -5.777 13.137 249 HG2 ARG 32 1HG ARG 32 -11.001 -6.765 13.971 250 HG3 ARG 32 2HG ARG 32 -10.538 -6.713 12.269 251 HD2 ARG 32 1HD ARG 32 -10.823 -4.362 12.171 252 HD3 ARG 32 2HD ARG 32 -11.644 -4.328 13.731 253 HE ARG 32 HE ARG 32 -8.826 -4.286 13.272 254 HH11 ARG 32 1HH1 ARG 32 -11.298 -5.302 15.503 255 HH12 ARG 32 2HH1 ARG 32 -10.254 -5.255 16.885 256 HH21 ARG 32 1HH2 ARG 32 -7.441 -4.221 15.082 257 HH22 ARG 32 2HH2 ARG 32 -8.059 -4.640 16.644 258 H GLY 33 H GLY 33 -14.713 -8.013 10.955 259 HA2 GLY 33 1HA GLY 33 -17.026 -8.922 11.240 260 HA3 GLY 33 2HA GLY 33 -17.138 -7.866 12.640 261 H LEU 34 H LEU 34 -15.772 -7.182 9.442 262 HA LEU 34 HA LEU 34 -17.888 -5.169 9.061 263 HB2 LEU 34 1HB LEU 34 -14.946 -4.931 8.463 264 HB3 LEU 34 2HB LEU 34 -16.163 -3.791 7.890 265 HG LEU 34 HG LEU 34 -15.645 -4.340 10.807 266 HD11 LEU 34 1HD1 LEU 34 -14.459 -2.145 10.762 267 HD12 LEU 34 2HD1 LEU 34 -14.484 -2.229 9.001 268 HD13 LEU 34 3HD1 LEU 34 -13.613 -3.449 9.928 269 HD21 LEU 34 1HD2 LEU 34 -17.595 -2.811 9.327 270 HD22 LEU 34 2HD2 LEU 34 -16.655 -1.778 10.404 271 HD23 LEU 34 3HD2 LEU 34 -17.521 -3.172 11.052 272 HA PRO 35 HA PRO 35 -18.614 -7.150 5.193 273 HB2 PRO 35 1HB PRO 35 -19.888 -5.118 3.920 274 HB3 PRO 35 2HB PRO 35 -20.645 -6.076 5.200 275 HG2 PRO 35 1HG PRO 35 -19.364 -3.374 5.360 276 HG3 PRO 35 2HG PRO 35 -20.872 -3.943 6.100 277 HD2 PRO 35 1HD PRO 35 -18.552 -3.750 7.483 278 HD3 PRO 35 2HD PRO 35 -19.773 -4.991 7.834 279 H VAL 36 H VAL 36 -16.322 -7.232 4.648 280 HA VAL 36 HA VAL 36 -15.607 -5.234 2.601 281 HB VAL 36 HB VAL 36 -13.175 -5.989 3.237 282 HG11 VAL 36 1HG1 VAL 36 -13.385 -4.196 5.199 283 HG12 VAL 36 2HG1 VAL 36 -13.473 -3.751 3.493 284 HG13 VAL 36 3HG1 VAL 36 -14.953 -3.944 4.434 285 HG21 VAL 36 1HG2 VAL 36 -14.214 -7.658 4.911 286 HG22 VAL 36 2HG2 VAL 36 -12.807 -6.721 5.414 287 HG23 VAL 36 3HG2 VAL 36 -14.419 -6.248 5.950 288 H ALA 37 H ALA 37 -15.963 -6.256 0.724 289 HA ALA 37 HA ALA 37 -15.257 -9.075 0.441 290 HB1 ALA 37 1HB ALA 37 -16.257 -7.961 -1.985 291 HB2 ALA 37 2HB ALA 37 -17.005 -9.153 -0.920 292 HB3 ALA 37 3HB ALA 37 -17.278 -7.431 -0.648 293 H ARG 38 H ARG 38 -14.413 -5.908 -0.869 294 HA ARG 38 HA ARG 38 -11.893 -7.028 -1.831 295 HB2 ARG 38 1HB ARG 38 -12.079 -5.987 -4.005 296 HB3 ARG 38 2HB ARG 38 -13.457 -7.051 -3.755 297 HG2 ARG 38 1HG ARG 38 -14.898 -5.198 -3.322 298 HG3 ARG 38 2HG ARG 38 -13.535 -4.076 -3.312 299 HD2 ARG 38 1HD ARG 38 -13.299 -4.130 -5.595 300 HD3 ARG 38 2HD ARG 38 -14.006 -5.739 -5.736 301 HE ARG 38 HE ARG 38 -15.372 -3.290 -5.987 302 HH11 ARG 38 1HH1 ARG 38 -15.731 -6.456 -4.588 303 HH12 ARG 38 2HH1 ARG 38 -17.461 -6.447 -4.688 304 HH21 ARG 38 1HH2 ARG 38 -17.648 -3.265 -6.125 305 HH22 ARG 38 2HH2 ARG 38 -18.550 -4.632 -5.563 306 H VAL 39 H VAL 39 -10.479 -5.131 -2.698 307 HA VAL 39 HA VAL 39 -9.789 -3.466 -0.647 308 HB VAL 39 HB VAL 39 -9.491 -2.921 -3.604 309 HG11 VAL 39 1HG1 VAL 39 -7.852 -1.287 -3.081 310 HG12 VAL 39 2HG1 VAL 39 -9.276 -0.901 -2.113 311 HG13 VAL 39 3HG1 VAL 39 -7.890 -1.698 -1.367 312 HG21 VAL 39 1HG2 VAL 39 -7.130 -3.701 -3.104 313 HG22 VAL 39 2HG2 VAL 39 -7.754 -4.293 -1.565 314 HG23 VAL 39 3HG2 VAL 39 -8.384 -4.941 -3.080 315 H ALA 40 H ALA 40 -11.804 -2.544 -3.441 316 HA ALA 40 HA ALA 40 -12.369 0.053 -2.861 317 HB1 ALA 40 1HB ALA 40 -13.197 -1.337 -4.812 318 HB2 ALA 40 2HB ALA 40 -14.521 -1.841 -3.762 319 HB3 ALA 40 3HB ALA 40 -14.319 -0.137 -4.169 320 H ASP 41 H ASP 41 -13.786 -2.802 -1.354 321 HA ASP 41 HA ASP 41 -15.677 -1.314 0.207 322 HB2 ASP 41 1HB ASP 41 -14.769 -4.176 0.156 323 HB3 ASP 41 2HB ASP 41 -15.780 -3.586 1.472 324 H ALA 42 H ALA 42 -12.472 -2.676 0.735 325 HA ALA 42 HA ALA 42 -12.469 -1.824 3.519 326 HB1 ALA 42 1HB ALA 42 -10.432 -3.010 3.750 327 HB2 ALA 42 2HB ALA 42 -11.481 -4.012 2.745 328 HB3 ALA 42 3HB ALA 42 -10.187 -3.070 2.004 329 H ILE 43 H ILE 43 -12.309 -0.097 0.907 330 HA ILE 43 HA ILE 43 -9.811 1.246 1.036 331 HB ILE 43 HB ILE 43 -12.397 1.714 -0.340 332 HG12 ILE 43 1HG1 ILE 43 -9.490 1.796 -1.177 333 HG13 ILE 43 2HG1 ILE 43 -10.616 0.467 -1.436 334 HG21 ILE 43 1HG2 ILE 43 -12.229 3.898 0.424 335 HG22 ILE 43 2HG2 ILE 43 -10.467 3.887 0.372 336 HG23 ILE 43 3HG2 ILE 43 -11.393 3.960 -1.128 337 HD11 ILE 43 1HD1 ILE 43 -10.493 3.127 -2.786 338 HD12 ILE 43 2HD1 ILE 43 -10.549 1.512 -3.492 339 HD13 ILE 43 3HD1 ILE 43 -11.994 2.202 -2.754 340 HA PRO 44 HA PRO 44 -12.243 4.650 3.458 341 HB2 PRO 44 1HB PRO 44 -14.720 4.004 4.359 342 HB3 PRO 44 2HB PRO 44 -14.434 4.729 2.773 343 HG2 PRO 44 1HG PRO 44 -14.897 1.859 3.487 344 HG3 PRO 44 2HG PRO 44 -15.562 2.797 2.138 345 HD2 PRO 44 1HD PRO 44 -13.479 1.093 1.841 346 HD3 PRO 44 2HD PRO 44 -13.648 2.572 0.874 347 H TYR 45 H TYR 45 -13.029 1.335 4.455 348 HA TYR 45 HA TYR 45 -12.974 1.808 7.234 349 HB2 TYR 45 1HB TYR 45 -12.415 -0.757 5.730 350 HB3 TYR 45 2HB TYR 45 -12.778 -0.635 7.449 351 HD1 TYR 45 2HD TYR 45 -15.024 1.067 7.694 352 HD2 TYR 45 1HD TYR 45 -14.171 -1.705 4.582 353 HE1 TYR 45 2HE TYR 45 -17.428 0.888 7.204 354 HE2 TYR 45 1HE TYR 45 -16.572 -1.892 4.081 355 HH TYR 45 HH TYR 45 -18.831 -1.430 5.710 356 H CYS 46 H CYS 46 -10.511 2.003 5.024 357 HA CYS 46 HA CYS 46 -8.494 1.600 7.128 358 HB2 CYS 46 1HB CYS 46 -8.269 0.823 4.214 359 HB3 CYS 46 2HB CYS 46 -6.919 0.834 5.342 360 HG CYS 46 HG CYS 46 -9.088 -1.541 4.763 361 H SER 47 H SER 47 -9.871 4.012 6.285 362 HA SER 47 HA SER 47 -7.837 5.512 4.826 363 HB2 SER 47 1HB SER 47 -10.244 5.804 4.255 364 HB3 SER 47 2HB SER 47 -10.520 6.450 5.873 365 HG SER 47 HG SER 47 -8.639 7.920 5.124 366 H SER 48 H SER 48 -9.033 5.037 8.038 367 HA SER 48 HA SER 48 -7.776 7.422 9.094 368 HB2 SER 48 1HB SER 48 -9.779 6.828 10.210 369 HB3 SER 48 2HB SER 48 -9.297 5.138 10.345 370 HG SER 48 HG SER 48 -8.599 5.709 12.240 371 H ASP 49 H ASP 49 -7.134 3.984 8.890 372 HA ASP 49 HA ASP 49 -4.889 4.049 10.678 373 HB2 ASP 49 1HB ASP 49 -4.506 1.745 9.377 374 HB3 ASP 49 2HB ASP 49 -5.712 1.917 10.649 375 H TRP 50 H TRP 50 -5.319 3.948 7.161 376 HA TRP 50 HA TRP 50 -2.633 3.749 6.433 377 HB2 TRP 50 1HB TRP 50 -4.307 3.423 4.761 378 HB3 TRP 50 2HB TRP 50 -4.985 5.026 5.035 379 HD1 TRP 50 HD TRP 50 -4.151 6.896 3.480 380 HE1 TRP 50 1HE TRP 50 -2.257 7.130 1.753 381 HE3 TRP 50 3HE TRP 50 -1.720 2.481 4.338 382 HZ2 TRP 50 2HZ TRP 50 -0.027 5.640 0.871 383 HZ3 TRP 50 3HZ TRP 50 0.285 1.961 3.011 384 HH2 TRP 50 HH TRP 50 1.112 3.509 1.313 385 H ALA 51 H ALA 51 -4.556 6.534 7.365 386 HA ALA 51 HA ALA 51 -2.718 8.529 6.560 387 HB1 ALA 51 1HB ALA 51 -5.222 8.404 8.002 388 HB2 ALA 51 2HB ALA 51 -4.116 9.581 8.714 389 HB3 ALA 51 3HB ALA 51 -4.554 9.701 7.010 390 H LEU 52 H LEU 52 -2.917 6.462 9.345 391 HA LEU 52 HA LEU 52 -1.289 7.969 11.098 392 HB2 LEU 52 1HB LEU 52 -1.745 4.992 10.975 393 HB3 LEU 52 2HB LEU 52 -1.011 5.858 12.323 394 HG LEU 52 HG LEU 52 -3.856 6.197 11.374 395 HD11 LEU 52 1HD1 LEU 52 -3.513 4.009 12.370 396 HD12 LEU 52 2HD1 LEU 52 -4.451 5.040 13.451 397 HD13 LEU 52 3HD1 LEU 52 -2.741 4.750 13.773 398 HD21 LEU 52 1HD2 LEU 52 -4.133 7.470 13.451 399 HD22 LEU 52 2HD2 LEU 52 -2.957 8.223 12.374 400 HD23 LEU 52 3HD2 LEU 52 -2.407 7.305 13.777 401 H LEU 53 H LEU 53 -0.588 5.668 8.550 402 HA LEU 53 HA LEU 53 2.037 5.009 9.102 403 HB2 LEU 53 1HB LEU 53 0.478 5.335 6.582 404 HB3 LEU 53 2HB LEU 53 2.218 5.072 6.482 405 HG LEU 53 HG LEU 53 0.370 3.205 7.953 406 HD11 LEU 53 1HD1 LEU 53 -0.212 2.144 6.073 407 HD12 LEU 53 2HD1 LEU 53 1.383 2.342 5.350 408 HD13 LEU 53 3HD1 LEU 53 0.209 3.655 5.266 409 HD21 LEU 53 1HD2 LEU 53 2.633 1.934 6.861 410 HD22 LEU 53 2HD2 LEU 53 2.272 2.241 8.560 411 HD23 LEU 53 3HD2 LEU 53 3.204 3.415 7.630 412 H ARG 54 H ARG 54 4.049 5.835 8.329 413 HA ARG 54 HA ARG 54 4.082 8.757 8.242 414 HB2 ARG 54 1HB ARG 54 6.516 7.003 8.420 415 HB3 ARG 54 2HB ARG 54 6.311 8.659 8.974 416 HG2 ARG 54 1HG ARG 54 4.748 7.827 10.713 417 HG3 ARG 54 2HG ARG 54 5.126 6.181 10.202 418 HD2 ARG 54 1HD ARG 54 7.254 6.260 11.050 419 HD3 ARG 54 2HD ARG 54 7.375 8.010 10.872 420 HE ARG 54 HE ARG 54 5.428 7.391 12.810 421 HH11 ARG 54 1HH1 ARG 54 8.875 7.329 12.325 422 HH12 ARG 54 2HH1 ARG 54 9.247 7.526 14.006 423 HH21 ARG 54 1HH2 ARG 54 5.904 7.651 15.026 424 HH22 ARG 54 2HH2 ARG 54 7.555 7.708 15.541 425 H GLU 55 H GLU 55 5.753 9.778 6.809 426 HA GLU 55 HA GLU 55 5.217 9.348 4.146 427 HB2 GLU 55 1HB GLU 55 7.511 10.666 5.558 428 HB3 GLU 55 2HB GLU 55 7.518 10.526 3.805 429 HG2 GLU 55 1HG GLU 55 5.399 11.734 3.697 430 HG3 GLU 55 2HG GLU 55 5.394 11.877 5.454 431 H GLU 56 H GLU 56 8.068 8.221 5.956 432 HA GLU 56 HA GLU 56 9.407 6.924 3.924 433 HB2 GLU 56 1HB GLU 56 9.170 6.022 6.801 434 HB3 GLU 56 2HB GLU 56 10.418 5.519 5.668 435 HG2 GLU 56 1HG GLU 56 11.310 7.736 5.566 436 HG3 GLU 56 2HG GLU 56 9.972 8.367 6.525 437 H GLU 57 H GLU 57 6.877 5.609 6.046 438 HA GLU 57 HA GLU 57 6.847 3.008 5.021 439 HB2 GLU 57 1HB GLU 57 4.467 4.534 6.088 440 HB3 GLU 57 2HB GLU 57 4.661 2.788 6.030 441 HG2 GLU 57 1HG GLU 57 6.567 4.504 7.572 442 HG3 GLU 57 2HG GLU 57 5.026 3.996 8.262 443 H LYS 58 H LYS 58 4.688 5.728 4.205 444 HA LYS 58 HA LYS 58 3.200 4.554 2.219 445 HB2 LYS 58 1HB LYS 58 4.234 7.395 2.184 446 HB3 LYS 58 2HB LYS 58 2.821 6.790 1.331 447 HG2 LYS 58 1HG LYS 58 1.986 6.135 3.696 448 HG3 LYS 58 2HG LYS 58 3.194 7.296 4.250 449 HD2 LYS 58 1HD LYS 58 2.108 9.089 3.273 450 HD3 LYS 58 2HD LYS 58 1.266 8.072 2.101 451 HE2 LYS 58 1HE LYS 58 -0.213 7.243 3.788 452 HE3 LYS 58 2HE LYS 58 0.718 8.026 5.063 453 HZ1 LYS 58 1HZ LYS 58 0.042 10.046 3.340 454 HZ2 LYS 58 2HZ LYS 58 -0.667 9.727 4.842 455 HZ3 LYS 58 3HZ LYS 58 -1.356 9.096 3.431 456 H GLU 59 H GLU 59 6.363 6.134 1.891 457 HA GLU 59 HA GLU 59 6.608 5.881 -0.889 458 HB2 GLU 59 1HB GLU 59 8.585 6.160 1.351 459 HB3 GLU 59 2HB GLU 59 9.145 5.890 -0.294 460 HG2 GLU 59 1HG GLU 59 8.251 7.918 -1.052 461 HG3 GLU 59 2HG GLU 59 7.251 8.110 0.387 462 H LYS 60 H LYS 60 7.791 3.761 1.712 463 HA LYS 60 HA LYS 60 9.054 1.836 0.187 464 HB2 LYS 60 1HB LYS 60 9.305 1.670 2.520 465 HB3 LYS 60 2HB LYS 60 7.568 1.682 2.796 466 HG2 LYS 60 1HG LYS 60 7.415 -0.551 1.766 467 HG3 LYS 60 2HG LYS 60 9.171 -0.559 1.583 468 HD2 LYS 60 1HD LYS 60 8.989 -1.677 3.567 469 HD3 LYS 60 2HD LYS 60 9.081 -0.021 4.172 470 HE2 LYS 60 1HE LYS 60 6.416 -1.195 3.521 471 HE3 LYS 60 2HE LYS 60 7.217 -1.661 5.021 472 HZ1 LYS 60 1HZ LYS 60 7.450 1.054 4.955 473 HZ2 LYS 60 2HZ LYS 60 6.331 0.176 5.871 474 HZ3 LYS 60 3HZ LYS 60 5.891 0.783 4.355 475 H TYR 61 H TYR 61 5.648 1.858 1.231 476 HA TYR 61 HA TYR 61 4.871 -0.499 -0.047 477 HB2 TYR 61 1HB TYR 61 3.417 1.941 0.894 478 HB3 TYR 61 2HB TYR 61 2.556 0.757 -0.082 479 HD1 TYR 61 1HD TYR 61 4.310 1.312 3.111 480 HD2 TYR 61 2HD TYR 61 1.928 -1.370 0.821 481 HE1 TYR 61 1HE TYR 61 3.919 -0.049 5.122 482 HE2 TYR 61 2HE TYR 61 1.530 -2.736 2.826 483 HH TYR 61 HH TYR 61 3.318 -2.422 5.650 484 H ALA 62 H ALA 62 4.941 2.835 -1.223 485 HA ALA 62 HA ALA 62 3.693 2.354 -3.705 486 HB1 ALA 62 1HB ALA 62 5.416 4.482 -4.130 487 HB2 ALA 62 2HB ALA 62 3.742 4.576 -3.579 488 HB3 ALA 62 3HB ALA 62 5.056 4.553 -2.404 489 H GLU 63 H GLU 63 7.090 2.322 -2.706 490 HA GLU 63 HA GLU 63 8.221 1.983 -5.252 491 HB2 GLU 63 1HB GLU 63 9.404 2.553 -3.069 492 HB3 GLU 63 2HB GLU 63 9.351 0.835 -2.705 493 HG2 GLU 63 1HG GLU 63 10.668 0.340 -4.669 494 HG3 GLU 63 2HG GLU 63 10.657 2.041 -5.133 495 H MET 64 H MET 64 7.511 -0.465 -2.756 496 HA MET 64 HA MET 64 8.208 -2.707 -4.259 497 HB2 MET 64 1HB MET 64 7.009 -4.004 -2.649 498 HB3 MET 64 2HB MET 64 7.738 -2.650 -1.794 499 HG2 MET 64 1HG MET 64 5.676 -1.540 -1.579 500 HG3 MET 64 2HG MET 64 4.900 -2.593 -2.759 501 HE1 MET 64 1HE MET 64 6.616 -2.196 0.482 502 HE2 MET 64 2HE MET 64 5.031 -2.187 1.253 503 HE3 MET 64 3HE MET 64 6.129 -3.545 1.508 504 H ALA 65 H ALA 65 5.252 -0.826 -4.191 505 HA ALA 65 HA ALA 65 3.614 -2.656 -5.596 506 HB1 ALA 65 1HB ALA 65 2.121 -0.766 -5.953 507 HB2 ALA 65 2HB ALA 65 2.704 -0.800 -4.288 508 HB3 ALA 65 3HB ALA 65 3.390 0.348 -5.439 509 H ARG 66 H ARG 66 5.306 0.279 -6.720 510 HA ARG 66 HA ARG 66 4.696 0.042 -9.422 511 HB2 ARG 66 1HB ARG 66 7.131 1.219 -8.077 512 HB3 ARG 66 2HB ARG 66 6.777 1.403 -9.790 513 HG2 ARG 66 1HG ARG 66 4.534 2.381 -9.019 514 HG3 ARG 66 2HG ARG 66 5.306 2.527 -7.438 515 HD2 ARG 66 1HD ARG 66 5.627 4.605 -8.510 516 HD3 ARG 66 2HD ARG 66 7.174 3.764 -8.615 517 HE ARG 66 HE ARG 66 5.838 3.148 -10.938 518 HH11 ARG 66 1HH1 ARG 66 6.919 6.050 -9.345 519 HH12 ARG 66 2HH1 ARG 66 7.150 6.928 -10.820 520 HH21 ARG 66 1HH2 ARG 66 6.140 4.295 -12.886 521 HH22 ARG 66 2HH2 ARG 66 6.707 5.929 -12.834 522 H GLU 67 H GLU 67 7.672 -1.023 -7.768 523 HA GLU 67 HA GLU 67 8.878 -2.255 -9.950 524 HB2 GLU 67 1HB GLU 67 9.061 -2.998 -7.025 525 HB3 GLU 67 2HB GLU 67 10.159 -3.562 -8.277 526 HG2 GLU 67 1HG GLU 67 9.760 -0.698 -7.444 527 HG3 GLU 67 2HG GLU 67 11.119 -1.729 -6.998 528 H TRP 68 H TRP 68 6.584 -3.556 -7.597 529 HA TRP 68 HA TRP 68 6.653 -6.235 -8.377 530 HB2 TRP 68 1HB TRP 68 5.527 -5.622 -6.350 531 HB3 TRP 68 2HB TRP 68 4.412 -4.573 -7.220 532 HD1 TRP 68 HD TRP 68 5.224 -8.341 -6.862 533 HE1 TRP 68 1HE TRP 68 3.061 -9.666 -7.297 534 HE3 TRP 68 3HE TRP 68 2.150 -4.471 -8.171 535 HZ2 TRP 68 2HZ TRP 68 0.403 -9.140 -8.091 536 HZ3 TRP 68 3HZ TRP 68 -0.187 -4.967 -8.755 537 HH2 TRP 68 HH TRP 68 -1.041 -7.254 -8.716 538 H ARG 69 H ARG 69 4.529 -3.611 -9.503 539 HA ARG 69 HA ARG 69 3.083 -5.159 -11.356 540 HB2 ARG 69 1HB ARG 69 3.553 -2.232 -10.966 541 HB3 ARG 69 2HB ARG 69 2.790 -2.781 -12.452 542 HG2 ARG 69 1HG ARG 69 1.165 -4.041 -10.918 543 HG3 ARG 69 2HG ARG 69 1.795 -3.003 -9.638 544 HD2 ARG 69 1HD ARG 69 -0.213 -2.032 -10.582 545 HD3 ARG 69 2HD ARG 69 1.183 -1.027 -10.968 546 HE ARG 69 HE ARG 69 0.886 -2.716 -13.112 547 HH11 ARG 69 1HH1 ARG 69 -1.087 -0.351 -11.488 548 HH12 ARG 69 2HH1 ARG 69 -1.968 0.085 -12.915 549 HH21 ARG 69 1HH2 ARG 69 -0.266 -2.151 -14.997 550 HH22 ARG 69 2HH2 ARG 69 -1.501 -0.940 -14.910 551 H ALA 70 H ALA 70 5.889 -3.017 -11.803 552 HA ALA 70 HA ALA 70 6.226 -3.226 -14.525 553 HB1 ALA 70 1HB ALA 70 8.806 -3.193 -13.708 554 HB2 ALA 70 2HB ALA 70 7.760 -1.772 -13.753 555 HB3 ALA 70 3HB ALA 70 7.988 -2.652 -12.241 556 H ALA 71 H ALA 71 7.815 -5.292 -12.084 557 HA ALA 71 HA ALA 71 8.943 -7.087 -13.930 558 HB1 ALA 71 1HB ALA 71 9.295 -6.704 -11.320 559 HB2 ALA 71 2HB ALA 71 8.215 -8.097 -11.243 560 HB3 ALA 71 3HB ALA 71 9.738 -8.211 -12.124 561 H GLN 72 H GLN 72 5.812 -7.000 -12.344 562 HA GLN 72 HA GLN 72 5.000 -9.627 -13.002 563 HB2 GLN 72 1HB GLN 72 3.604 -7.131 -12.140 564 HB3 GLN 72 2HB GLN 72 2.642 -8.460 -12.771 565 HG2 GLN 72 1HG GLN 72 4.495 -8.544 -10.402 566 HG3 GLN 72 2HG GLN 72 2.733 -8.585 -10.374 567 HE21 GLN 72 1HE2 GLN 72 5.619 -10.382 -10.762 568 HE22 GLN 72 2HE2 GLN 72 4.892 -11.936 -10.967 569 H GLY 73 H GLY 73 5.258 -6.739 -14.845 570 HA2 GLY 73 1HA GLY 73 5.245 -7.327 -17.315 571 HA3 GLY 73 2HA GLY 73 3.626 -7.934 -16.996 572 H LYS 74 H LYS 74 5.267 -4.974 -15.906 573 HA LYS 74 HA LYS 74 3.164 -3.423 -17.270 574 HB2 LYS 74 1HB LYS 74 3.217 -3.627 -14.625 575 HB3 LYS 74 2HB LYS 74 4.438 -2.371 -14.784 576 HG2 LYS 74 1HG LYS 74 1.848 -2.031 -16.207 577 HG3 LYS 74 2HG LYS 74 1.907 -1.774 -14.462 578 HD2 LYS 74 1HD LYS 74 3.925 -0.263 -14.958 579 HD3 LYS 74 2HD LYS 74 3.366 -0.302 -16.633 580 HE2 LYS 74 1HE LYS 74 1.113 0.442 -15.758 581 HE3 LYS 74 2HE LYS 74 1.909 0.735 -14.212 582 HZ1 LYS 74 1HZ LYS 74 2.680 1.995 -16.789 583 HZ2 LYS 74 2HZ LYS 74 3.369 2.311 -15.277 584 HZ3 LYS 74 3HZ LYS 74 1.761 2.741 -15.579 585 H ASP 75 H ASP 75 3.857 -1.879 -18.607 586 HA ASP 75 HA ASP 75 6.278 -1.574 -19.663 587 HB2 ASP 75 1HB ASP 75 5.726 0.929 -19.933 588 HB3 ASP 75 2HB ASP 75 4.589 -0.240 -20.598 589 HA PRO 76 HA PRO 76 8.598 -0.477 -15.915 590 HB2 PRO 76 1HB PRO 76 10.981 -1.333 -16.893 591 HB3 PRO 76 2HB PRO 76 9.792 -2.424 -16.171 592 HG2 PRO 76 1HG PRO 76 10.339 -1.862 -19.060 593 HG3 PRO 76 2HG PRO 76 10.035 -3.414 -18.261 594 HD2 PRO 76 1HD PRO 76 8.124 -2.093 -19.651 595 HD3 PRO 76 2HD PRO 76 7.752 -3.097 -18.235 596 H GLY 77 H GLY 77 8.341 0.859 -18.914 597 HA2 GLY 77 1HA GLY 77 10.458 2.311 -19.635 598 HA3 GLY 77 2HA GLY 77 8.864 3.045 -19.529 599 HA PRO 78 HA PRO 78 10.139 5.734 -16.316 600 HB2 PRO 78 1HB PRO 78 8.128 5.612 -14.497 601 HB3 PRO 78 2HB PRO 78 7.953 6.398 -16.070 602 HG2 PRO 78 1HG PRO 78 7.083 3.665 -15.211 603 HG3 PRO 78 2HG PRO 78 6.212 4.860 -16.190 604 HD2 PRO 78 1HD PRO 78 7.503 2.746 -17.281 605 HD3 PRO 78 2HD PRO 78 7.360 4.310 -18.111 606 H SER 79 H SER 79 8.942 2.642 -15.032 607 HA SER 79 HA SER 79 10.426 2.879 -12.589 608 HB2 SER 79 1HB SER 79 8.658 0.828 -13.834 609 HB3 SER 79 2HB SER 79 9.778 0.292 -12.583 610 HG SER 79 HG SER 79 7.651 1.009 -11.846 611 H GLU 80 H GLU 80 11.645 0.578 -12.086 612 HA GLU 80 HA GLU 80 13.776 0.456 -14.114 613 HB2 GLU 80 1HB GLU 80 14.203 1.269 -11.673 614 HB3 GLU 80 2HB GLU 80 14.134 -0.442 -11.275 615 HG2 GLU 80 1HG GLU 80 15.918 0.479 -13.477 616 HG3 GLU 80 2HG GLU 80 16.412 0.706 -11.800 617 H LYS 81 H LYS 81 14.781 -1.583 -14.526 618 HA LYS 81 HA LYS 81 12.882 -3.781 -14.421 619 HB2 LYS 81 1HB LYS 81 14.205 -3.099 -16.496 620 HB3 LYS 81 2HB LYS 81 15.607 -3.812 -15.711 621 HG2 LYS 81 1HG LYS 81 14.107 -5.913 -15.493 622 HG3 LYS 81 2HG LYS 81 13.149 -5.143 -16.761 623 HD2 LYS 81 1HD LYS 81 15.059 -5.076 -18.229 624 HD3 LYS 81 2HD LYS 81 16.112 -5.680 -16.947 625 HE2 LYS 81 1HE LYS 81 13.730 -7.251 -17.869 626 HE3 LYS 81 2HE LYS 81 15.264 -7.334 -18.734 627 HZ1 LYS 81 1HZ LYS 81 16.338 -8.227 -16.869 628 HZ2 LYS 81 2HZ LYS 81 14.870 -9.063 -16.959 629 HZ3 LYS 81 3HZ LYS 81 15.070 -7.827 -15.822 630 H GLN 82 H GLN 82 12.921 -4.536 -12.327 631 HA GLN 82 HA GLN 82 15.256 -6.115 -11.622 632 HB2 GLN 82 1HB GLN 82 15.584 -5.182 -9.468 633 HB3 GLN 82 2HB GLN 82 15.536 -3.824 -10.584 634 HG2 GLN 82 1HG GLN 82 14.199 -3.017 -8.936 635 HG3 GLN 82 2HG GLN 82 12.987 -3.815 -9.936 636 HE21 GLN 82 1HE2 GLN 82 15.306 -4.836 -7.446 637 HE22 GLN 82 2HE2 GLN 82 14.157 -5.705 -6.493 638 H LYS 83 H LYS 83 14.790 -7.877 -10.336 639 HA LYS 83 HA LYS 83 12.230 -8.167 -9.055 640 HB2 LYS 83 1HB LYS 83 11.557 -10.161 -10.361 641 HB3 LYS 83 2HB LYS 83 11.557 -8.688 -11.320 642 HG2 LYS 83 1HG LYS 83 13.688 -9.307 -12.309 643 HG3 LYS 83 2HG LYS 83 13.738 -10.765 -11.315 644 HD2 LYS 83 1HD LYS 83 12.950 -11.485 -13.408 645 HD3 LYS 83 2HD LYS 83 11.508 -11.374 -12.394 646 HE2 LYS 83 1HE LYS 83 10.987 -9.197 -13.357 647 HE3 LYS 83 2HE LYS 83 12.448 -9.269 -14.342 648 HZ1 LYS 83 1HZ LYS 83 10.864 -11.592 -14.719 649 HZ2 LYS 83 2HZ LYS 83 11.386 -10.459 -15.861 650 HZ3 LYS 83 3HZ LYS 83 9.944 -10.203 -15.015 651 HA PRO 84 HA PRO 84 14.626 -10.832 -6.506 652 HB2 PRO 84 1HB PRO 84 12.643 -12.303 -5.377 653 HB3 PRO 84 2HB PRO 84 12.951 -10.616 -4.949 654 HG2 PRO 84 1HG PRO 84 10.898 -11.754 -6.806 655 HG3 PRO 84 2HG PRO 84 10.722 -10.469 -5.596 656 HD2 PRO 84 1HD PRO 84 11.017 -9.951 -8.236 657 HD3 PRO 84 2HD PRO 84 11.642 -8.869 -6.976 658 H VAL 85 H VAL 85 14.512 -13.328 -5.836 659 HA VAL 85 HA VAL 85 14.515 -14.816 -8.372 660 HB VAL 85 HB VAL 85 16.679 -14.659 -7.149 661 HG11 VAL 85 1HG1 VAL 85 16.583 -16.487 -5.158 662 HG12 VAL 85 2HG1 VAL 85 16.458 -14.744 -4.909 663 HG13 VAL 85 3HG1 VAL 85 14.998 -15.733 -4.986 664 HG21 VAL 85 1HG2 VAL 85 15.750 -16.684 -8.575 665 HG22 VAL 85 2HG2 VAL 85 17.319 -16.762 -7.773 666 HG23 VAL 85 3HG2 VAL 85 15.912 -17.529 -7.035 667 H PHE 86 H PHE 86 12.074 -14.420 -7.018 668 HA PHE 86 HA PHE 86 11.368 -17.199 -6.494 669 HB2 PHE 86 1HB PHE 86 10.767 -14.939 -4.576 670 HB3 PHE 86 2HB PHE 86 10.027 -16.534 -4.492 671 HD1 PHE 86 2HD PHE 86 11.410 -18.509 -3.952 672 HD2 PHE 86 1HD PHE 86 12.964 -14.550 -3.782 673 HE1 PHE 86 2HE PHE 86 13.294 -19.311 -2.589 674 HE2 PHE 86 1HE PHE 86 14.853 -15.346 -2.419 675 HZ PHE 86 HZ PHE 86 15.018 -17.728 -1.820 676 H THR 87 H THR 87 9.441 -17.745 -7.337 677 HA THR 87 HA THR 87 7.686 -15.566 -8.267 678 HB THR 87 HB THR 87 7.052 -17.000 -10.180 679 HG1 THR 87 1HG THR 87 8.767 -18.747 -10.530 680 HG21 THR 87 1HG2 THR 87 9.000 -16.590 -11.503 681 HG22 THR 87 2HG2 THR 87 10.040 -16.599 -10.080 682 HG23 THR 87 3HG2 THR 87 8.885 -15.288 -10.320 683 H SER 88 H SER 88 5.986 -15.583 -6.932 684 HA SER 88 HA SER 88 4.653 -18.166 -6.446 685 HB2 SER 88 1HB SER 88 5.709 -17.402 -4.377 686 HB3 SER 88 2HB SER 88 4.901 -15.840 -4.521 687 HG SER 88 HG SER 88 3.046 -16.721 -3.921 688 H GLY 89 H GLY 89 2.637 -18.262 -7.181 689 HA2 GLY 89 1HA GLY 89 0.647 -16.363 -6.870 690 HA3 GLY 89 2HA GLY 89 1.395 -16.025 -8.423 691 HA PRO 90 HA PRO 90 -0.703 -20.416 -8.587 692 HB2 PRO 90 1HB PRO 90 -2.712 -20.752 -6.792 693 HB3 PRO 90 2HB PRO 90 -1.041 -21.228 -6.465 694 HG2 PRO 90 1HG PRO 90 -2.510 -18.763 -5.614 695 HG3 PRO 90 2HG PRO 90 -1.410 -19.791 -4.675 696 HD2 PRO 90 1HD PRO 90 -0.629 -17.440 -5.770 697 HD3 PRO 90 2HD PRO 90 0.473 -18.819 -5.581 698 H SER 91 H SER 91 -1.808 -17.315 -8.570 699 HA SER 91 HA SER 91 -4.547 -17.633 -9.230 700 HB2 SER 91 1HB SER 91 -3.393 -15.498 -8.459 701 HB3 SER 91 2HB SER 91 -2.786 -15.343 -10.107 702 HG SER 91 HG SER 91 -5.243 -15.716 -10.528 703 H SER 92 H SER 92 -5.574 -17.479 -11.257 704 HA SER 92 HA SER 92 -3.851 -18.132 -13.558 705 HB2 SER 92 1HB SER 92 -5.750 -19.534 -14.400 706 HB3 SER 92 2HB SER 92 -5.022 -20.143 -12.914 707 HG SER 92 HG SER 92 -7.236 -20.185 -12.669 708 H GLY 93 H GLY 93 -3.963 -16.690 -15.140 709 HA2 GLY 93 1HA GLY 93 -5.167 -15.466 -16.789 710 HA3 GLY 93 2HA GLY 93 -6.523 -15.356 -15.676
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