NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10655 | 1q2z | 5912 | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -8.888 -17.475 -17.855 2 2H GLY 1 HT2 GLY 1 -8.545 -19.106 -17.564 3 3H GLY 1 HT3 GLY 1 -7.302 -17.960 -17.520 4 1HA GLY 1 HA1 GLY 1 -9.429 -17.311 -15.720 5 2HA GLY 1 HA2 GLY 1 -8.719 -18.881 -15.377 6 HA PRO 2 HA PRO 2 -5.117 -15.517 -15.131 7 1HB PRO 2 HB2 PRO 2 -6.855 -13.194 -14.484 8 2HB PRO 2 HB1 PRO 2 -5.377 -13.261 -15.450 9 1HG PRO 2 HG2 PRO 2 -7.755 -13.001 -16.620 10 2HG PRO 2 HG1 PRO 2 -6.488 -14.012 -17.341 11 1HD PRO 2 HD2 PRO 2 -8.927 -14.826 -15.816 12 2HD PRO 2 HD1 PRO 2 -8.170 -15.593 -17.227 13 H VAL 3 HN VAL 3 -4.229 -14.571 -13.156 14 HA VAL 3 HA VAL 3 -5.857 -15.185 -10.775 15 HB VAL 3 HB VAL 3 -2.861 -15.495 -10.893 16 1HG1 VAL 3 HG11 VAL 3 -3.180 -16.808 -8.873 17 2HG1 VAL 3 HG12 VAL 3 -4.925 -16.578 -8.979 18 3HG1 VAL 3 HG13 VAL 3 -3.871 -15.197 -8.676 19 1HG2 VAL 3 HG21 VAL 3 -4.982 -17.585 -11.365 20 2HG2 VAL 3 HG22 VAL 3 -3.283 -17.938 -11.052 21 3HG2 VAL 3 HG23 VAL 3 -3.746 -17.046 -12.502 22 H ASN 4 HN ASN 4 -5.801 -13.750 -9.099 23 HA ASN 4 HA ASN 4 -4.243 -11.291 -9.543 24 1HB ASN 4 HB2 ASN 4 -6.892 -11.352 -9.531 25 2HB ASN 4 HB1 ASN 4 -6.657 -11.304 -7.783 26 1HD2 ASN 4 HD21 ASN 4 -5.575 -9.508 -6.871 27 2HD2 ASN 4 HD22 ASN 4 -5.527 -7.991 -7.694 28 HA PRO 5 HA PRO 5 -2.032 -12.382 -5.827 29 1HB PRO 5 HB2 PRO 5 -1.430 -9.489 -5.689 30 2HB PRO 5 HB1 PRO 5 -0.326 -10.865 -5.771 31 1HG PRO 5 HG2 PRO 5 -0.686 -9.257 -7.875 32 2HG PRO 5 HG1 PRO 5 -0.458 -11.006 -8.078 33 1HD PRO 5 HD2 PRO 5 -2.979 -9.395 -8.194 34 2HD PRO 5 HD1 PRO 5 -2.462 -10.756 -9.213 35 H ALA 6 HN ALA 6 -4.170 -9.571 -5.954 36 HA ALA 6 HA ALA 6 -4.392 -9.260 -3.131 37 1HB ALA 6 HB1 ALA 6 -5.108 -7.306 -3.946 38 2HB ALA 6 HB2 ALA 6 -6.660 -8.111 -4.179 39 3HB ALA 6 HB3 ALA 6 -5.511 -8.011 -5.512 40 H GLU 7 HN GLU 7 -6.245 -11.000 -5.573 41 HA GLU 7 HA GLU 7 -8.416 -11.690 -3.876 42 1HB GLU 7 HB2 GLU 7 -7.423 -12.620 -6.538 43 2HB GLU 7 HB1 GLU 7 -8.633 -13.580 -5.699 44 1HG GLU 7 HG2 GLU 7 -10.040 -11.522 -5.548 45 2HG GLU 7 HG1 GLU 7 -8.867 -10.719 -6.589 46 H ASN 8 HN ASN 8 -5.503 -13.443 -4.909 47 HA ASN 8 HA ASN 8 -6.044 -15.833 -3.531 48 1HB ASN 8 HB2 ASN 8 -4.185 -15.164 -5.312 49 2HB ASN 8 HB1 ASN 8 -3.219 -14.934 -3.858 50 1HD2 ASN 8 HD21 ASN 8 -2.714 -16.702 -2.576 51 2HD2 ASN 8 HD22 ASN 8 -2.892 -18.326 -3.134 52 H PHE 9 HN PHE 9 -4.551 -12.825 -2.527 53 HA PHE 9 HA PHE 9 -3.537 -13.780 -0.047 54 1HB PHE 9 HB2 PHE 9 -2.477 -11.829 -0.642 55 2HB PHE 9 HB1 PHE 9 -3.935 -11.119 -1.325 56 HD1 PHE 9 HD1 PHE 9 -5.120 -9.521 -0.138 57 HD2 PHE 9 HD2 PHE 9 -2.357 -12.021 1.918 58 HE1 PHE 9 HE1 PHE 9 -5.418 -8.171 1.896 59 HE2 PHE 9 HE2 PHE 9 -2.651 -10.676 3.956 60 HZ PHE 9 HZ PHE 9 -4.183 -8.748 3.947 61 H ARG 10 HN ARG 10 -6.469 -11.990 -0.950 62 HA ARG 10 HA ARG 10 -7.545 -11.703 1.612 63 1HB ARG 10 HB2 ARG 10 -8.686 -11.714 -1.150 64 2HB ARG 10 HB1 ARG 10 -9.786 -11.747 0.222 65 1HG ARG 10 HG2 ARG 10 -8.891 -9.676 1.056 66 2HG ARG 10 HG1 ARG 10 -7.652 -9.665 -0.201 67 1HD ARG 10 HD2 ARG 10 -10.620 -9.592 -0.729 68 2HD ARG 10 HD1 ARG 10 -9.583 -8.165 -0.667 69 HE ARG 10 HE ARG 10 -8.894 -10.284 -2.557 70 1HH1 ARG 10 HH11 ARG 10 -10.195 -7.104 -1.973 71 2HH1 ARG 10 HH12 ARG 10 -10.056 -6.603 -3.625 72 1HH2 ARG 10 HH21 ARG 10 -8.707 -9.633 -4.734 73 2HH2 ARG 10 HH22 ARG 10 -9.210 -8.040 -5.195 74 H VAL 11 HN VAL 11 -7.682 -14.383 -0.657 75 HA VAL 11 HA VAL 11 -9.635 -15.859 0.841 76 HB VAL 11 HB VAL 11 -7.756 -16.801 -1.331 77 1HG1 VAL 11 HG11 VAL 11 -10.104 -18.111 0.017 78 2HG1 VAL 11 HG12 VAL 11 -8.458 -18.723 -0.157 79 3HG1 VAL 11 HG13 VAL 11 -9.514 -18.617 -1.567 80 1HG2 VAL 11 HG21 VAL 11 -9.635 -14.961 -1.694 81 2HG2 VAL 11 HG22 VAL 11 -10.661 -16.393 -1.783 82 3HG2 VAL 11 HG23 VAL 11 -9.304 -16.210 -2.894 83 H LEU 12 HN LEU 12 -6.115 -16.023 0.447 84 HA LEU 12 HA LEU 12 -5.644 -18.297 1.990 85 1HB LEU 12 HB2 LEU 12 -4.098 -16.219 0.776 86 2HB LEU 12 HB1 LEU 12 -3.495 -16.499 2.401 87 HG LEU 12 HG LEU 12 -3.950 -18.862 0.643 88 1HD1 LEU 12 HD11 LEU 12 -1.781 -18.629 -0.385 89 2HD1 LEU 12 HD12 LEU 12 -1.516 -17.096 0.447 90 3HD1 LEU 12 HD13 LEU 12 -2.775 -17.227 -0.780 91 1HD2 LEU 12 HD21 LEU 12 -3.281 -19.117 2.995 92 2HD2 LEU 12 HD22 LEU 12 -1.828 -18.171 2.672 93 3HD2 LEU 12 HD23 LEU 12 -2.056 -19.732 1.884 94 H VAL 13 HN VAL 13 -6.303 -15.003 2.945 95 HA VAL 13 HA VAL 13 -5.615 -15.583 5.725 96 HB VAL 13 HB VAL 13 -6.124 -13.210 6.155 97 1HG1 VAL 13 HG11 VAL 13 -4.239 -13.688 3.850 98 2HG1 VAL 13 HG12 VAL 13 -3.859 -13.857 5.563 99 3HG1 VAL 13 HG13 VAL 13 -4.238 -12.269 4.897 100 1HG2 VAL 13 HG21 VAL 13 -6.317 -11.809 3.963 101 2HG2 VAL 13 HG22 VAL 13 -7.758 -12.537 4.674 102 3HG2 VAL 13 HG23 VAL 13 -6.973 -13.303 3.293 103 H LYS 14 HN LYS 14 -8.245 -15.998 3.767 104 HA LYS 14 HA LYS 14 -10.083 -15.825 6.060 105 1HB LYS 14 HB2 LYS 14 -10.271 -14.302 3.781 106 2HB LYS 14 HB1 LYS 14 -11.342 -15.649 3.419 107 1HG LYS 14 HG2 LYS 14 -11.713 -14.572 6.099 108 2HG LYS 14 HG1 LYS 14 -12.013 -13.396 4.817 109 1HD LYS 14 HD2 LYS 14 -13.463 -15.168 3.726 110 2HD LYS 14 HD1 LYS 14 -13.333 -16.068 5.237 111 1HE LYS 14 HE2 LYS 14 -14.828 -14.760 6.255 112 2HE LYS 14 HE1 LYS 14 -14.053 -13.289 5.666 113 1HZ LYS 14 HZ1 LYS 14 -16.424 -13.781 4.910 114 2HZ LYS 14 HZ2 LYS 14 -15.736 -14.940 3.889 115 3HZ LYS 14 HZ3 LYS 14 -15.307 -13.312 3.729 116 H GLN 15 HN GLN 15 -8.590 -18.113 5.462 117 HA GLN 15 HA GLN 15 -10.649 -19.920 4.377 118 1HB GLN 15 HB2 GLN 15 -8.687 -21.503 4.001 119 2HB GLN 15 HB1 GLN 15 -8.785 -20.099 2.943 120 1HG GLN 15 HG2 GLN 15 -7.083 -18.967 4.214 121 2HG GLN 15 HG1 GLN 15 -7.044 -20.277 5.391 122 1HE2 GLN 15 HE21 GLN 15 -7.026 -20.147 1.843 123 2HE2 GLN 15 HE22 GLN 15 -5.602 -21.106 1.645 124 H LYS 16 HN LYS 16 -8.052 -19.659 6.794 125 HA LYS 16 HA LYS 16 -9.589 -20.743 8.881 126 1HB LYS 16 HB2 LYS 16 -8.408 -22.908 9.173 127 2HB LYS 16 HB1 LYS 16 -9.406 -22.858 7.725 128 1HG LYS 16 HG2 LYS 16 -7.514 -22.628 6.320 129 2HG LYS 16 HG1 LYS 16 -6.448 -22.323 7.695 130 1HD LYS 16 HD2 LYS 16 -6.497 -24.548 8.383 131 2HD LYS 16 HD1 LYS 16 -7.976 -24.893 7.484 132 1HE LYS 16 HE2 LYS 16 -6.807 -25.538 5.707 133 2HE LYS 16 HE1 LYS 16 -5.916 -24.017 5.688 134 1HZ LYS 16 HZ1 LYS 16 -5.234 -26.339 7.409 135 2HZ LYS 16 HZ2 LYS 16 -4.339 -24.915 7.233 136 3HZ LYS 16 HZ3 LYS 16 -4.483 -25.988 5.934 137 H LYS 17 HN LYS 17 -6.354 -20.355 7.525 138 HA LYS 17 HA LYS 17 -5.501 -18.944 9.877 139 1HB LYS 17 HB2 LYS 17 -4.324 -21.595 9.079 140 2HB LYS 17 HB1 LYS 17 -3.376 -20.405 9.956 141 1HG LYS 17 HG2 LYS 17 -4.960 -20.458 11.793 142 2HG LYS 17 HG1 LYS 17 -5.971 -21.602 10.905 143 1HD LYS 17 HD2 LYS 17 -4.157 -23.237 10.933 144 2HD LYS 17 HD1 LYS 17 -3.128 -22.090 11.793 145 1HE LYS 17 HE2 LYS 17 -4.711 -22.088 13.666 146 2HE LYS 17 HE1 LYS 17 -5.724 -23.246 12.806 147 1HZ LYS 17 HZ1 LYS 17 -2.894 -23.813 13.461 148 2HZ LYS 17 HZ2 LYS 17 -4.103 -24.907 13.009 149 3HZ LYS 17 HZ3 LYS 17 -4.155 -24.173 14.532 150 H ALA 18 HN ALA 18 -3.479 -17.869 9.549 151 HA ALA 18 HA ALA 18 -2.093 -17.916 7.075 152 1HB ALA 18 HB1 ALA 18 -2.929 -16.151 5.910 153 2HB ALA 18 HB2 ALA 18 -3.491 -15.316 7.358 154 3HB ALA 18 HB3 ALA 18 -4.411 -16.675 6.711 155 H SER 19 HN SER 19 -2.898 -16.278 10.056 156 HA SER 19 HA SER 19 -1.616 -15.250 11.622 157 1HB SER 19 HB2 SER 19 0.858 -15.830 10.009 158 2HB SER 19 HB1 SER 19 0.691 -15.682 11.760 159 HG SER 19 HG SER 19 0.113 -17.833 10.084 160 H PHE 20 HN PHE 20 -1.316 -14.423 8.292 161 HA PHE 20 HA PHE 20 -1.174 -12.414 7.227 162 1HB PHE 20 HB2 PHE 20 -2.608 -11.750 9.332 163 2HB PHE 20 HB1 PHE 20 -1.136 -10.919 9.824 164 HD1 PHE 20 HD1 PHE 20 -3.884 -11.004 7.413 165 HD2 PHE 20 HD2 PHE 20 -0.335 -8.987 8.618 166 HE1 PHE 20 HE1 PHE 20 -4.496 -9.089 5.997 167 HE2 PHE 20 HE2 PHE 20 -0.941 -7.069 7.204 168 HZ PHE 20 HZ PHE 20 -3.025 -7.117 5.892 169 H GLU 21 HN GLU 21 1.089 -13.650 7.309 170 HA GLU 21 HA GLU 21 3.069 -11.557 7.807 171 1HB GLU 21 HB2 GLU 21 2.828 -13.885 9.414 172 2HB GLU 21 HB1 GLU 21 4.274 -14.078 8.432 173 1HG GLU 21 HG2 GLU 21 5.034 -11.850 9.212 174 2HG GLU 21 HG1 GLU 21 3.638 -11.796 10.287 175 H GLU 22 HN GLU 22 2.794 -14.926 6.651 176 HA GLU 22 HA GLU 22 4.829 -14.636 4.699 177 1HB GLU 22 HB2 GLU 22 2.624 -16.686 4.609 178 2HB GLU 22 HB1 GLU 22 4.270 -16.830 4.010 179 1HG GLU 22 HG2 GLU 22 4.541 -16.309 6.730 180 2HG GLU 22 HG1 GLU 22 3.200 -17.448 6.607 181 H ALA 23 HN ALA 23 1.294 -14.521 4.572 182 HA ALA 23 HA ALA 23 1.101 -14.211 1.762 183 1HB ALA 23 HB1 ALA 23 -0.737 -14.951 3.318 184 2HB ALA 23 HB2 ALA 23 -1.199 -13.746 2.115 185 3HB ALA 23 HB3 ALA 23 -0.914 -13.260 3.787 186 H SER 24 HN SER 24 1.580 -11.981 4.413 187 HA SER 24 HA SER 24 1.027 -9.625 2.870 188 1HB SER 24 HB2 SER 24 2.427 -9.955 5.536 189 2HB SER 24 HB1 SER 24 1.918 -8.419 4.837 190 HG SER 24 HG SER 24 -0.226 -9.129 4.966 191 H ASN 25 HN ASN 25 4.004 -10.939 4.329 192 HA ASN 25 HA ASN 25 5.836 -9.240 3.175 193 1HB ASN 25 HB2 ASN 25 5.929 -12.001 4.241 194 2HB ASN 25 HB1 ASN 25 7.267 -11.537 3.193 195 1HD2 ASN 25 HD21 ASN 25 5.705 -11.053 6.232 196 2HD2 ASN 25 HD22 ASN 25 6.926 -10.057 6.941 197 H GLN 26 HN GLN 26 4.488 -12.227 1.828 198 HA GLN 26 HA GLN 26 6.018 -12.252 -0.538 199 1HB GLN 26 HB2 GLN 26 3.452 -13.518 0.331 200 2HB GLN 26 HB1 GLN 26 3.884 -13.567 -1.373 201 1HG GLN 26 HG2 GLN 26 6.055 -14.597 -0.725 202 2HG GLN 26 HG1 GLN 26 5.459 -14.681 0.935 203 1HE2 GLN 26 HE21 GLN 26 5.115 -15.904 -2.307 204 2HE2 GLN 26 HE22 GLN 26 4.173 -17.294 -1.899 205 H LEU 27 HN LEU 27 2.854 -10.869 0.234 206 HA LEU 27 HA LEU 27 2.144 -9.975 -2.303 207 1HB LEU 27 HB2 LEU 27 1.105 -9.762 0.263 208 2HB LEU 27 HB1 LEU 27 1.411 -8.098 -0.204 209 HG LEU 27 HG LEU 27 -0.258 -10.059 -1.780 210 1HD1 LEU 27 HD11 LEU 27 -1.418 -7.653 -0.504 211 2HD1 LEU 27 HD12 LEU 27 -1.021 -9.015 0.544 212 3HD1 LEU 27 HD13 LEU 27 -2.133 -9.236 -0.806 213 1HD2 LEU 27 HD21 LEU 27 0.770 -8.432 -3.231 214 2HD2 LEU 27 HD22 LEU 27 0.284 -7.118 -2.160 215 3HD2 LEU 27 HD23 LEU 27 -0.938 -8.039 -3.036 216 H ILE 28 HN ILE 28 3.990 -8.298 0.249 217 HA ILE 28 HA ILE 28 4.382 -5.916 -1.199 218 HB ILE 28 HB ILE 28 4.938 -6.713 1.352 219 1HG1 ILE 28 HG12 ILE 28 6.180 -4.436 1.452 220 2HG1 ILE 28 HG11 ILE 28 5.773 -4.319 -0.260 221 1HG2 ILE 28 HG21 ILE 28 7.264 -6.658 1.789 222 2HG2 ILE 28 HG22 ILE 28 7.638 -6.209 0.126 223 3HG2 ILE 28 HG23 ILE 28 7.027 -7.823 0.488 224 1HD1 ILE 28 HD11 ILE 28 3.415 -5.051 1.092 225 2HD1 ILE 28 HD12 ILE 28 3.795 -3.520 0.304 226 3HD1 ILE 28 HD13 ILE 28 4.161 -3.746 2.014 227 H ASN 29 HN ASN 29 6.113 -8.961 -1.128 228 HA ASN 29 HA ASN 29 8.429 -8.117 -2.510 229 1HB ASN 29 HB2 ASN 29 7.646 -10.449 -1.307 230 2HB ASN 29 HB1 ASN 29 7.544 -10.884 -3.010 231 1HD2 ASN 29 HD21 ASN 29 9.404 -10.926 -4.254 232 2HD2 ASN 29 HD22 ASN 29 10.984 -10.919 -3.553 233 H HIS 30 HN HIS 30 5.360 -9.519 -3.573 234 HA HIS 30 HA HIS 30 5.947 -9.677 -6.313 235 1HB HIS 30 HB2 HIS 30 3.539 -9.791 -4.629 236 2HB HIS 30 HB1 HIS 30 3.245 -9.178 -6.255 237 HD1 HIS 30 HD1 HIS 30 4.212 -10.828 -8.224 238 HD2 HIS 30 HD2 HIS 30 3.589 -12.495 -4.469 239 HE1 HIS 30 HE1 HIS 30 4.120 -13.313 -8.599 240 HE2 HIS 30 HE2 HIS 30 3.679 -14.298 -6.321 241 H ILE 31 HN ILE 31 4.489 -7.109 -4.359 242 HA ILE 31 HA ILE 31 3.924 -5.286 -6.390 243 HB ILE 31 HB ILE 31 4.788 -4.746 -3.544 244 1HG1 ILE 31 HG12 ILE 31 2.022 -4.611 -4.749 245 2HG1 ILE 31 HG11 ILE 31 2.655 -6.056 -3.962 246 1HG2 ILE 31 HG21 ILE 31 5.212 -2.741 -4.703 247 2HG2 ILE 31 HG22 ILE 31 3.636 -2.523 -3.945 248 3HG2 ILE 31 HG23 ILE 31 3.743 -2.894 -5.666 249 1HD1 ILE 31 HD11 ILE 31 1.541 -5.121 -2.221 250 2HD1 ILE 31 HD12 ILE 31 1.800 -3.472 -2.792 251 3HD1 ILE 31 HD13 ILE 31 3.112 -4.347 -2.002 252 H GLU 32 HN GLU 32 6.853 -5.584 -4.389 253 HA GLU 32 HA GLU 32 8.362 -3.560 -5.513 254 1HB GLU 32 HB2 GLU 32 8.914 -6.016 -3.998 255 2HB GLU 32 HB1 GLU 32 10.254 -5.476 -5.001 256 1HG GLU 32 HG2 GLU 32 10.530 -4.532 -2.841 257 2HG GLU 32 HG1 GLU 32 10.056 -3.234 -3.938 258 H GLN 33 HN GLN 33 8.043 -6.928 -6.571 259 HA GLN 33 HA GLN 33 9.890 -6.844 -8.674 260 1HB GLN 33 HB2 GLN 33 7.398 -8.500 -8.269 261 2HB GLN 33 HB1 GLN 33 8.493 -8.739 -9.625 262 1HG GLN 33 HG2 GLN 33 9.750 -8.708 -6.967 263 2HG GLN 33 HG1 GLN 33 8.664 -10.060 -7.288 264 1HE2 GLN 33 HE21 GLN 33 11.726 -8.686 -7.866 265 2HE2 GLN 33 HE22 GLN 33 12.328 -9.897 -8.940 266 H PHE 34 HN PHE 34 6.400 -6.206 -8.632 267 HA PHE 34 HA PHE 34 6.027 -5.697 -11.335 268 1HB PHE 34 HB2 PHE 34 4.656 -4.489 -8.927 269 2HB PHE 34 HB1 PHE 34 4.111 -4.239 -10.581 270 HD1 PHE 34 HD1 PHE 34 2.999 -5.744 -7.919 271 HD2 PHE 34 HD2 PHE 34 4.453 -6.912 -11.745 272 HE1 PHE 34 HE1 PHE 34 1.676 -7.812 -7.786 273 HE2 PHE 34 HE2 PHE 34 3.132 -8.982 -11.619 274 HZ PHE 34 HZ PHE 34 1.739 -9.435 -9.638 275 H LEU 35 HN LEU 35 7.395 -3.668 -8.827 276 HA LEU 35 HA LEU 35 7.415 -1.300 -10.480 277 1HB LEU 35 HB2 LEU 35 8.781 -1.863 -7.845 278 2HB LEU 35 HB1 LEU 35 8.668 -0.291 -8.619 279 HG LEU 35 HG LEU 35 6.087 -1.635 -8.132 280 1HD1 LEU 35 HD11 LEU 35 6.901 -2.303 -6.073 281 2HD1 LEU 35 HD12 LEU 35 6.225 -0.713 -5.716 282 3HD1 LEU 35 HD13 LEU 35 7.966 -0.905 -5.924 283 1HD2 LEU 35 HD21 LEU 35 6.349 0.653 -9.045 284 2HD2 LEU 35 HD22 LEU 35 7.081 1.143 -7.517 285 3HD2 LEU 35 HD23 LEU 35 5.405 0.598 -7.557 286 H ASP 36 HN ASP 36 9.403 -4.028 -10.023 287 HA ASP 36 HA ASP 36 11.951 -2.952 -10.536 288 1HB ASP 36 HB2 ASP 36 11.486 -5.268 -9.690 289 2HB ASP 36 HB1 ASP 36 10.977 -5.706 -11.319 290 H THR 37 HN THR 37 9.571 -4.404 -12.744 291 HA THR 37 HA THR 37 10.922 -4.229 -15.125 292 HB THR 37 HB THR 37 8.484 -3.617 -16.034 293 HG1 THR 37 HG1 THR 37 8.068 -4.584 -13.383 294 1HG2 THR 37 HG21 THR 37 8.536 -6.310 -14.852 295 2HG2 THR 37 HG22 THR 37 9.958 -5.888 -15.805 296 3HG2 THR 37 HG23 THR 37 8.354 -5.814 -16.535 297 H ASN 38 HN ASN 38 8.588 -1.773 -14.007 298 HA ASN 38 HA ASN 38 8.841 0.525 -13.910 299 1HB ASN 38 HB2 ASN 38 11.138 0.249 -15.861 300 2HB ASN 38 HB1 ASN 38 10.632 1.721 -15.037 301 1HD2 ASN 38 HD21 ASN 38 12.984 -0.411 -15.051 302 2HD2 ASN 38 HD22 ASN 38 13.401 -0.471 -13.374 303 H GLU 39 HN GLU 39 6.842 -0.433 -15.107 304 HA GLU 39 HA GLU 39 6.675 0.973 -17.685 305 1HB GLU 39 HB2 GLU 39 5.392 -1.692 -17.058 306 2HB GLU 39 HB1 GLU 39 5.224 -0.793 -18.559 307 1HG GLU 39 HG2 GLU 39 7.724 -1.001 -18.817 308 2HG GLU 39 HG1 GLU 39 7.676 -2.144 -17.476 309 H THR 40 HN THR 40 4.411 1.510 -18.289 310 HA THR 40 HA THR 40 3.111 2.797 -16.124 311 HB THR 40 HB THR 40 1.990 2.339 -18.891 312 HG1 THR 40 HG1 THR 40 3.607 3.576 -19.468 313 1HG2 THR 40 HG21 THR 40 0.754 4.425 -18.422 314 2HG2 THR 40 HG22 THR 40 1.412 4.426 -16.786 315 3HG2 THR 40 HG23 THR 40 0.332 3.130 -17.301 316 HA PRO 41 HA PRO 41 -0.352 -0.552 -16.769 317 1HB PRO 41 HB2 PRO 41 1.083 -2.825 -17.958 318 2HB PRO 41 HB1 PRO 41 -0.454 -2.095 -18.436 319 1HG PRO 41 HG2 PRO 41 1.769 -1.824 -19.924 320 2HG PRO 41 HG1 PRO 41 0.559 -0.532 -19.797 321 1HD PRO 41 HD2 PRO 41 3.199 -0.801 -18.402 322 2HD PRO 41 HD1 PRO 41 2.453 0.635 -19.134 323 H TYR 42 HN TYR 42 2.842 -0.941 -15.725 324 HA TYR 42 HA TYR 42 2.323 -3.277 -14.079 325 1HB TYR 42 HB2 TYR 42 4.694 -1.777 -14.935 326 2HB TYR 42 HB1 TYR 42 4.760 -2.316 -13.259 327 HD1 TYR 42 HD1 TYR 42 4.827 -3.341 -16.749 328 HD2 TYR 42 HD2 TYR 42 4.673 -4.725 -12.729 329 HE1 TYR 42 HE1 TYR 42 5.475 -5.589 -17.504 330 HE2 TYR 42 HE2 TYR 42 5.321 -6.977 -13.474 331 HH TYR 42 HH TYR 42 5.252 -7.938 -16.700 332 H PHE 43 HN PHE 43 2.357 0.176 -13.784 333 HA PHE 43 HA PHE 43 2.591 0.258 -10.936 334 1HB PHE 43 HB2 PHE 43 1.787 2.268 -13.026 335 2HB PHE 43 HB1 PHE 43 1.640 2.634 -11.308 336 HD1 PHE 43 HD1 PHE 43 3.641 3.145 -14.022 337 HD2 PHE 43 HD2 PHE 43 3.913 1.840 -9.981 338 HE1 PHE 43 HE1 PHE 43 6.008 3.811 -13.971 339 HE2 PHE 43 HE2 PHE 43 6.282 2.504 -9.922 340 HZ PHE 43 HZ PHE 43 7.332 3.491 -11.919 341 H MET 44 HN MET 44 0.013 -0.270 -13.163 342 HA MET 44 HA MET 44 -2.155 0.507 -11.513 343 1HB MET 44 HB2 MET 44 -1.837 -0.467 -14.116 344 2HB MET 44 HB1 MET 44 -2.801 -1.688 -13.294 345 1HG MET 44 HG2 MET 44 -3.611 1.122 -12.895 346 2HG MET 44 HG1 MET 44 -3.848 0.448 -14.507 347 1HE MET 44 HE1 MET 44 -6.185 1.555 -13.160 348 2HE MET 44 HE2 MET 44 -5.844 1.195 -11.468 349 3HE MET 44 HE3 MET 44 -7.254 0.483 -12.255 350 H LYS 45 HN LYS 45 -0.328 -2.466 -11.884 351 HA LYS 45 HA LYS 45 -2.052 -4.084 -10.296 352 1HB LYS 45 HB2 LYS 45 -0.177 -4.744 -12.013 353 2HB LYS 45 HB1 LYS 45 0.870 -4.666 -10.600 354 1HG LYS 45 HG2 LYS 45 0.081 -6.583 -9.760 355 2HG LYS 45 HG1 LYS 45 -1.587 -6.199 -10.186 356 1HD LYS 45 HD2 LYS 45 -0.944 -6.716 -12.585 357 2HD LYS 45 HD1 LYS 45 0.554 -7.386 -11.936 358 1HE LYS 45 HE2 LYS 45 -0.469 -9.283 -11.394 359 2HE LYS 45 HE1 LYS 45 -1.697 -8.410 -10.478 360 1HZ LYS 45 HZ1 LYS 45 -2.548 -9.793 -12.357 361 2HZ LYS 45 HZ2 LYS 45 -1.789 -8.722 -13.425 362 3HZ LYS 45 HZ3 LYS 45 -3.021 -8.169 -12.408 363 H SER 46 HN SER 46 0.707 -2.023 -9.631 364 HA SER 46 HA SER 46 1.204 -2.928 -6.993 365 1HB SER 46 HB2 SER 46 1.775 -0.203 -8.189 366 2HB SER 46 HB1 SER 46 2.519 -0.885 -6.741 367 HG SER 46 HG SER 46 3.595 -2.347 -7.975 368 H ILE 47 HN ILE 47 -0.599 -0.126 -8.250 369 HA ILE 47 HA ILE 47 -1.493 0.869 -5.802 370 HB ILE 47 HB ILE 47 -3.016 0.959 -8.410 371 1HG1 ILE 47 HG12 ILE 47 -1.220 3.158 -7.466 372 2HG1 ILE 47 HG11 ILE 47 -0.508 1.769 -8.280 373 1HG2 ILE 47 HG21 ILE 47 -3.861 3.113 -7.462 374 2HG2 ILE 47 HG22 ILE 47 -3.102 2.669 -5.933 375 3HG2 ILE 47 HG23 ILE 47 -4.395 1.671 -6.598 376 1HD1 ILE 47 HD11 ILE 47 -2.027 2.180 -10.191 377 2HD1 ILE 47 HD12 ILE 47 -0.897 3.498 -9.881 378 3HD1 ILE 47 HD13 ILE 47 -2.582 3.645 -9.382 379 H ASP 48 HN ASP 48 -2.942 -1.530 -7.975 380 HA ASP 48 HA ASP 48 -5.319 -1.929 -6.523 381 1HB ASP 48 HB2 ASP 48 -3.834 -3.389 -8.634 382 2HB ASP 48 HB1 ASP 48 -4.965 -4.345 -7.678 383 H CYS 49 HN CYS 49 -2.082 -2.993 -6.021 384 HA CYS 49 HA CYS 49 -2.769 -5.139 -4.218 385 1HB CYS 49 HB2 CYS 49 -0.230 -3.900 -5.196 386 2HB CYS 49 HB1 CYS 49 -0.187 -4.840 -3.706 387 HG CYS 49 HG CYS 49 -0.620 -5.880 -6.886 388 H ILE 50 HN ILE 50 -1.649 -1.793 -3.981 389 HA ILE 50 HA ILE 50 -1.382 -1.811 -1.146 390 HB ILE 50 HB ILE 50 -0.667 -0.067 -3.185 391 1HG1 ILE 50 HG12 ILE 50 -0.609 0.805 -0.315 392 2HG1 ILE 50 HG11 ILE 50 0.301 -0.620 -0.820 393 1HG2 ILE 50 HG21 ILE 50 -2.587 1.392 -1.379 394 2HG2 ILE 50 HG22 ILE 50 -2.936 0.935 -3.046 395 3HG2 ILE 50 HG23 ILE 50 -1.632 2.071 -2.698 396 1HD1 ILE 50 HD11 ILE 50 0.765 1.603 -2.597 397 2HD1 ILE 50 HD12 ILE 50 1.913 0.630 -1.678 398 3HD1 ILE 50 HD13 ILE 50 1.132 2.020 -0.922 399 H ARG 51 HN ARG 51 -4.003 -1.308 -3.360 400 HA ARG 51 HA ARG 51 -5.731 0.016 -1.487 401 1HB ARG 51 HB2 ARG 51 -6.159 -1.222 -4.199 402 2HB ARG 51 HB1 ARG 51 -7.494 -0.581 -3.251 403 1HG ARG 51 HG2 ARG 51 -5.804 1.513 -3.163 404 2HG ARG 51 HG1 ARG 51 -5.374 0.822 -4.729 405 1HD ARG 51 HD2 ARG 51 -7.083 2.347 -5.212 406 2HD ARG 51 HD1 ARG 51 -7.883 0.775 -5.203 407 HE ARG 51 HE ARG 51 -8.265 1.598 -2.684 408 1HH1 ARG 51 HH11 ARG 51 -8.715 3.219 -5.736 409 2HH1 ARG 51 HH12 ARG 51 -10.010 4.214 -5.162 410 1HH2 ARG 51 HH21 ARG 51 -9.970 2.903 -1.921 411 2HH2 ARG 51 HH22 ARG 51 -10.724 4.035 -2.994 412 H ALA 52 HN ALA 52 -5.075 -3.276 -2.420 413 HA ALA 52 HA ALA 52 -7.420 -4.347 -1.109 414 1HB ALA 52 HB1 ALA 52 -5.009 -5.684 -2.330 415 2HB ALA 52 HB2 ALA 52 -6.615 -5.519 -3.041 416 3HB ALA 52 HB3 ALA 52 -6.376 -6.549 -1.629 417 H PHE 53 HN PHE 53 -4.009 -3.909 -0.431 418 HA PHE 53 HA PHE 53 -4.065 -5.420 2.010 419 1HB PHE 53 HB2 PHE 53 -2.048 -4.835 0.428 420 2HB PHE 53 HB1 PHE 53 -1.956 -3.378 1.414 421 HD1 PHE 53 HD1 PHE 53 -2.184 -3.967 4.060 422 HD2 PHE 53 HD2 PHE 53 -0.651 -6.533 1.032 423 HE1 PHE 53 HE1 PHE 53 -0.906 -5.202 5.760 424 HE2 PHE 53 HE2 PHE 53 0.629 -7.773 2.726 425 HZ PHE 53 HZ PHE 53 0.503 -7.108 5.094 426 H ARG 54 HN ARG 54 -3.920 -1.950 1.207 427 HA ARG 54 HA ARG 54 -3.848 -0.889 3.744 428 1HB ARG 54 HB2 ARG 54 -3.796 0.315 1.482 429 2HB ARG 54 HB1 ARG 54 -5.552 0.315 1.575 430 1HG ARG 54 HG2 ARG 54 -4.117 1.337 3.942 431 2HG ARG 54 HG1 ARG 54 -4.028 2.317 2.474 432 1HD ARG 54 HD2 ARG 54 -6.701 1.289 3.181 433 2HD ARG 54 HD1 ARG 54 -6.022 2.488 4.283 434 HE ARG 54 HE ARG 54 -5.646 3.573 1.817 435 1HH1 ARG 54 HH11 ARG 54 -8.411 2.329 3.533 436 2HH1 ARG 54 HH12 ARG 54 -9.535 3.391 2.753 437 1HH2 ARG 54 HH21 ARG 54 -7.118 4.977 0.787 438 2HH2 ARG 54 HH22 ARG 54 -8.800 4.897 1.192 439 H GLU 55 HN GLU 55 -6.707 -1.969 1.939 440 HA GLU 55 HA GLU 55 -8.579 -1.103 3.892 441 1HB GLU 55 HB2 GLU 55 -10.179 -2.570 2.688 442 2HB GLU 55 HB1 GLU 55 -9.310 -1.471 1.627 443 1HG GLU 55 HG2 GLU 55 -7.765 -3.338 1.069 444 2HG GLU 55 HG1 GLU 55 -8.801 -4.409 2.011 445 H GLU 56 HN GLU 56 -7.098 -4.264 3.224 446 HA GLU 56 HA GLU 56 -8.475 -5.680 5.236 447 1HB GLU 56 HB2 GLU 56 -5.907 -6.168 3.752 448 2HB GLU 56 HB1 GLU 56 -6.437 -7.257 5.031 449 1HG GLU 56 HG2 GLU 56 -8.576 -6.732 3.177 450 2HG GLU 56 HG1 GLU 56 -7.144 -7.326 2.339 451 H ALA 57 HN ALA 57 -5.725 -3.569 5.334 452 HA ALA 57 HA ALA 57 -4.840 -4.482 7.931 453 1HB ALA 57 HB1 ALA 57 -3.091 -3.772 6.536 454 2HB ALA 57 HB2 ALA 57 -3.290 -2.476 7.715 455 3HB ALA 57 HB3 ALA 57 -3.939 -2.293 6.086 456 H ILE 58 HN ILE 58 -6.106 -1.409 6.623 457 HA ILE 58 HA ILE 58 -6.404 -0.098 9.063 458 HB ILE 58 HB ILE 58 -8.024 1.369 7.966 459 1HG1 ILE 58 HG12 ILE 58 -8.017 0.441 5.303 460 2HG1 ILE 58 HG11 ILE 58 -8.447 -0.946 6.302 461 1HG2 ILE 58 HG21 ILE 58 -6.343 2.402 6.950 462 2HG2 ILE 58 HG22 ILE 58 -6.241 1.153 5.709 463 3HG2 ILE 58 HG23 ILE 58 -5.376 0.954 7.233 464 1HD1 ILE 58 HD11 ILE 58 -10.373 0.398 5.470 465 2HD1 ILE 58 HD12 ILE 58 -9.811 1.724 6.487 466 3HD1 ILE 58 HD13 ILE 58 -10.313 0.202 7.221 467 H LYS 59 HN LYS 59 -8.648 -2.205 7.322 468 HA LYS 59 HA LYS 59 -10.909 -1.940 8.845 469 1HB LYS 59 HB2 LYS 59 -9.738 -4.121 7.226 470 2HB LYS 59 HB1 LYS 59 -10.976 -4.602 8.377 471 1HG LYS 59 HG2 LYS 59 -11.668 -2.246 6.783 472 2HG LYS 59 HG1 LYS 59 -11.446 -3.728 5.848 473 1HD LYS 59 HD2 LYS 59 -13.046 -4.883 7.286 474 2HD LYS 59 HD1 LYS 59 -13.250 -3.419 8.249 475 1HE LYS 59 HE2 LYS 59 -14.045 -2.256 6.200 476 2HE LYS 59 HE1 LYS 59 -13.970 -3.796 5.345 477 1HZ LYS 59 HZ1 LYS 59 -15.627 -3.286 7.755 478 2HZ LYS 59 HZ2 LYS 59 -15.610 -4.699 6.827 479 3HZ LYS 59 HZ3 LYS 59 -16.207 -3.261 6.166 480 H PHE 60 HN PHE 60 -8.291 -4.331 9.420 481 HA PHE 60 HA PHE 60 -8.230 -3.964 12.191 482 1HB PHE 60 HB2 PHE 60 -9.280 -6.377 12.642 483 2HB PHE 60 HB1 PHE 60 -10.249 -4.907 12.697 484 HD1 PHE 60 HD1 PHE 60 -9.031 -7.103 9.919 485 HD2 PHE 60 HD2 PHE 60 -12.342 -5.272 11.867 486 HE1 PHE 60 HE1 PHE 60 -10.542 -8.034 8.217 487 HE2 PHE 60 HE2 PHE 60 -13.859 -6.200 10.167 488 HZ PHE 60 HZ PHE 60 -12.960 -7.584 8.339 489 H SER 61 HN SER 61 -6.027 -4.098 11.344 490 HA SER 61 HA SER 61 -4.960 -6.722 11.788 491 1HB SER 61 HB2 SER 61 -5.313 -5.730 9.067 492 2HB SER 61 HB1 SER 61 -3.645 -6.179 9.419 493 HG SER 61 HG SER 61 -4.295 -8.229 9.894 494 H GLU 62 HN GLU 62 -3.159 -4.601 9.743 495 HA GLU 62 HA GLU 62 -1.713 -3.562 12.082 496 1HB GLU 62 HB2 GLU 62 -0.407 -4.665 9.588 497 2HB GLU 62 HB1 GLU 62 0.420 -3.989 10.987 498 1HG GLU 62 HG2 GLU 62 -0.898 -5.873 12.262 499 2HG GLU 62 HG1 GLU 62 -0.929 -6.616 10.661 500 H GLU 63 HN GLU 63 -3.336 -1.838 11.277 501 HA GLU 63 HA GLU 63 -2.984 -0.366 8.967 502 1HB GLU 63 HB2 GLU 63 -3.843 1.587 10.325 503 2HB GLU 63 HB1 GLU 63 -4.841 0.140 10.352 504 1HG GLU 63 HG2 GLU 63 -3.731 -0.459 12.525 505 2HG GLU 63 HG1 GLU 63 -3.008 1.151 12.507 506 H GLN 64 HN GLN 64 -1.111 -0.243 11.949 507 HA GLN 64 HA GLN 64 0.372 2.104 11.256 508 1HB GLN 64 HB2 GLN 64 0.753 -0.069 13.312 509 2HB GLN 64 HB1 GLN 64 1.936 1.213 13.094 510 1HG GLN 64 HG2 GLN 64 -0.803 2.179 13.367 511 2HG GLN 64 HG1 GLN 64 -0.212 1.296 14.774 512 1HE2 GLN 64 HE21 GLN 64 -0.295 4.246 13.208 513 2HE2 GLN 64 HE22 GLN 64 0.942 5.055 14.102 514 H ARG 65 HN ARG 65 0.639 -1.249 10.465 515 HA ARG 65 HA ARG 65 3.417 -1.220 9.780 516 1HB ARG 65 HB2 ARG 65 2.390 -3.336 10.287 517 2HB ARG 65 HB1 ARG 65 1.161 -3.096 9.054 518 1HG ARG 65 HG2 ARG 65 2.913 -3.207 7.325 519 2HG ARG 65 HG1 ARG 65 4.102 -3.538 8.588 520 1HD ARG 65 HD2 ARG 65 2.280 -5.424 9.171 521 2HD ARG 65 HD1 ARG 65 2.014 -5.281 7.432 522 HE ARG 65 HE ARG 65 4.231 -6.010 7.062 523 1HH1 ARG 65 HH11 ARG 65 3.330 -6.011 10.429 524 2HH1 ARG 65 HH12 ARG 65 4.624 -7.058 10.907 525 1HH2 ARG 65 HH21 ARG 65 5.937 -7.389 7.683 526 2HH2 ARG 65 HH22 ARG 65 6.106 -7.841 9.347 527 H PHE 66 HN PHE 66 0.553 -0.095 8.345 528 HA PHE 66 HA PHE 66 1.587 -0.132 5.632 529 1HB PHE 66 HB2 PHE 66 -0.963 -0.253 6.628 530 2HB PHE 66 HB1 PHE 66 -0.841 1.440 6.149 531 HD1 PHE 66 HD1 PHE 66 -1.243 2.029 3.952 532 HD2 PHE 66 HD2 PHE 66 -0.188 -1.991 4.865 533 HE1 PHE 66 HE1 PHE 66 -1.636 1.397 1.609 534 HE2 PHE 66 HE2 PHE 66 -0.583 -2.630 2.524 535 HZ PHE 66 HZ PHE 66 -1.306 -0.935 0.892 536 H ASN 67 HN ASN 67 0.753 2.242 8.146 537 HA ASN 67 HA ASN 67 1.584 4.483 6.574 538 1HB ASN 67 HB2 ASN 67 1.687 5.576 8.960 539 2HB ASN 67 HB1 ASN 67 0.134 5.179 8.245 540 1HD2 ASN 67 HD21 ASN 67 -1.213 4.105 9.471 541 2HD2 ASN 67 HD22 ASN 67 -0.798 3.188 10.873 542 H ASN 68 HN ASN 68 3.121 2.083 8.372 543 HA ASN 68 HA ASN 68 5.540 3.499 9.001 544 1HB ASN 68 HB2 ASN 68 4.861 1.464 10.241 545 2HB ASN 68 HB1 ASN 68 5.064 0.512 8.773 546 1HD2 ASN 68 HD21 ASN 68 6.577 1.874 11.489 547 2HD2 ASN 68 HD22 ASN 68 8.197 1.397 11.122 548 H PHE 69 HN PHE 69 4.822 0.893 6.679 549 HA PHE 69 HA PHE 69 7.149 1.243 5.144 550 1HB PHE 69 HB2 PHE 69 5.318 -0.676 5.199 551 2HB PHE 69 HB1 PHE 69 4.650 0.240 3.849 552 HD1 PHE 69 HD1 PHE 69 5.767 0.323 1.730 553 HD2 PHE 69 HD2 PHE 69 7.497 -1.749 5.019 554 HE1 PHE 69 HE1 PHE 69 7.362 -0.761 0.202 555 HE2 PHE 69 HE2 PHE 69 9.096 -2.837 3.497 556 HZ PHE 69 HZ PHE 69 9.030 -2.343 1.085 557 H LEU 70 HN LEU 70 4.076 2.836 5.110 558 HA LEU 70 HA LEU 70 4.240 4.022 2.541 559 1HB LEU 70 HB2 LEU 70 2.611 4.442 4.978 560 2HB LEU 70 HB1 LEU 70 2.740 5.812 3.888 561 HG LEU 70 HG LEU 70 1.690 3.070 3.175 562 1HD1 LEU 70 HD11 LEU 70 0.100 5.581 3.039 563 2HD1 LEU 70 HD12 LEU 70 0.351 4.818 4.609 564 3HD1 LEU 70 HD13 LEU 70 -0.430 3.920 3.306 565 1HD2 LEU 70 HD21 LEU 70 2.764 3.950 1.243 566 2HD2 LEU 70 HD22 LEU 70 2.084 5.554 1.518 567 3HD2 LEU 70 HD23 LEU 70 1.032 4.220 1.043 568 H LYS 71 HN LYS 71 5.086 5.209 5.779 569 HA LYS 71 HA LYS 71 5.964 7.745 5.084 570 1HB LYS 71 HB2 LYS 71 6.555 5.860 7.312 571 2HB LYS 71 HB1 LYS 71 7.619 7.245 7.113 572 1HG LYS 71 HG2 LYS 71 5.625 8.721 7.207 573 2HG LYS 71 HG1 LYS 71 4.645 7.296 7.566 574 1HD LYS 71 HD2 LYS 71 5.969 6.887 9.579 575 2HD LYS 71 HD1 LYS 71 6.971 8.293 9.214 576 1HE LYS 71 HE2 LYS 71 5.005 9.740 9.405 577 2HE LYS 71 HE1 LYS 71 4.005 8.334 9.768 578 1HZ LYS 71 HZ1 LYS 71 4.676 9.559 11.765 579 2HZ LYS 71 HZ2 LYS 71 6.302 9.250 11.414 580 3HZ LYS 71 HZ3 LYS 71 5.258 7.970 11.775 581 H ALA 72 HN ALA 72 7.710 4.666 5.083 582 HA ALA 72 HA ALA 72 10.206 5.836 4.302 583 1HB ALA 72 HB1 ALA 72 10.261 3.782 5.513 584 2HB ALA 72 HB2 ALA 72 10.876 3.462 3.892 585 3HB ALA 72 HB3 ALA 72 9.234 2.985 4.322 586 H LEU 73 HN LEU 73 7.634 4.102 2.603 587 HA LEU 73 HA LEU 73 8.813 3.919 0.089 588 1HB LEU 73 HB2 LEU 73 6.859 2.672 0.423 589 2HB LEU 73 HB1 LEU 73 5.966 4.057 1.024 590 HG LEU 73 HG LEU 73 6.246 4.969 -1.406 591 1HD1 LEU 73 HD11 LEU 73 6.302 3.188 -3.091 592 2HD1 LEU 73 HD12 LEU 73 6.636 2.008 -1.823 593 3HD1 LEU 73 HD13 LEU 73 7.807 3.277 -2.178 594 1HD2 LEU 73 HD21 LEU 73 4.082 4.562 -0.668 595 2HD2 LEU 73 HD22 LEU 73 4.373 2.836 -0.450 596 3HD2 LEU 73 HD23 LEU 73 4.229 3.507 -2.074 597 H GLN 74 HN GLN 74 6.701 6.453 1.393 598 HA GLN 74 HA GLN 74 6.587 8.092 -0.848 599 1HB GLN 74 HB2 GLN 74 5.317 8.280 1.380 600 2HB GLN 74 HB1 GLN 74 6.712 9.182 1.954 601 1HG GLN 74 HG2 GLN 74 5.447 10.022 -0.598 602 2HG GLN 74 HG1 GLN 74 4.612 10.380 0.913 603 1HE2 GLN 74 HE21 GLN 74 6.534 11.708 -1.285 604 2HE2 GLN 74 HE22 GLN 74 7.432 12.815 -0.310 605 H GLU 75 HN GLU 75 8.860 8.263 1.888 606 HA GLU 75 HA GLU 75 10.396 10.376 0.776 607 1HB GLU 75 HB2 GLU 75 10.554 8.602 3.117 608 2HB GLU 75 HB1 GLU 75 12.111 9.153 2.511 609 1HG GLU 75 HG2 GLU 75 11.276 11.484 2.647 610 2HG GLU 75 HG1 GLU 75 9.805 10.869 3.398 611 H LYS 76 HN LYS 76 10.408 6.945 0.339 612 HA LYS 76 HA LYS 76 13.088 6.762 -0.656 613 1HB LYS 76 HB2 LYS 76 10.770 4.935 -0.376 614 2HB LYS 76 HB1 LYS 76 11.929 4.539 -1.639 615 1HG LYS 76 HG2 LYS 76 13.730 4.632 0.075 616 2HG LYS 76 HG1 LYS 76 12.481 4.844 1.303 617 1HD LYS 76 HD2 LYS 76 11.518 2.704 0.764 618 2HD LYS 76 HD1 LYS 76 12.618 2.508 -0.601 619 1HE LYS 76 HE2 LYS 76 14.519 2.451 0.924 620 2HE LYS 76 HE1 LYS 76 13.439 2.691 2.296 621 1HZ LYS 76 HZ1 LYS 76 14.066 0.361 1.997 622 2HZ LYS 76 HZ2 LYS 76 13.360 0.358 0.460 623 3HZ LYS 76 HZ3 LYS 76 12.396 0.582 1.832 624 H VAL 77 HN VAL 77 9.883 6.617 -2.223 625 HA VAL 77 HA VAL 77 10.892 6.527 -4.855 626 HB VAL 77 HB VAL 77 8.711 6.816 -5.631 627 1HG1 VAL 77 HG11 VAL 77 7.582 5.837 -3.173 628 2HG1 VAL 77 HG12 VAL 77 9.162 5.110 -3.470 629 3HG1 VAL 77 HG13 VAL 77 7.892 4.984 -4.687 630 1HG2 VAL 77 HG21 VAL 77 6.895 7.795 -4.172 631 2HG2 VAL 77 HG22 VAL 77 8.112 8.927 -4.758 632 3HG2 VAL 77 HG23 VAL 77 8.179 8.343 -3.095 633 H GLU 78 HN GLU 78 10.330 9.128 -2.634 634 HA GLU 78 HA GLU 78 10.327 11.265 -4.486 635 1HB GLU 78 HB2 GLU 78 10.390 10.937 -1.601 636 2HB GLU 78 HB1 GLU 78 11.424 12.259 -2.123 637 1HG GLU 78 HG2 GLU 78 9.288 12.879 -3.553 638 2HG GLU 78 HG1 GLU 78 8.478 11.973 -2.276 639 H ILE 79 HN ILE 79 12.893 9.906 -2.439 640 HA ILE 79 HA ILE 79 14.899 11.414 -3.927 641 HB ILE 79 HB ILE 79 15.398 9.509 -1.644 642 1HG1 ILE 79 HG12 ILE 79 15.360 12.412 -1.104 643 2HG1 ILE 79 HG11 ILE 79 13.784 11.691 -1.429 644 1HG2 ILE 79 HG21 ILE 79 17.383 10.068 -2.867 645 2HG2 ILE 79 HG22 ILE 79 17.406 10.946 -1.336 646 3HG2 ILE 79 HG23 ILE 79 16.980 11.785 -2.827 647 1HD1 ILE 79 HD11 ILE 79 15.098 9.976 0.366 648 2HD1 ILE 79 HD12 ILE 79 13.706 11.017 0.667 649 3HD1 ILE 79 HD13 ILE 79 15.338 11.622 0.955 650 H LYS 80 HN LYS 80 13.818 9.721 -5.671 651 HA LYS 80 HA LYS 80 16.026 7.971 -6.271 652 1HB LYS 80 HB2 LYS 80 14.170 6.786 -4.805 653 2HB LYS 80 HB1 LYS 80 13.362 6.645 -6.357 654 1HG LYS 80 HG2 LYS 80 15.234 5.429 -7.270 655 2HG LYS 80 HG1 LYS 80 16.151 5.675 -5.780 656 1HD LYS 80 HD2 LYS 80 14.340 4.428 -4.573 657 2HD LYS 80 HD1 LYS 80 13.645 4.038 -6.147 658 1HE LYS 80 HE2 LYS 80 15.841 3.016 -6.770 659 2HE LYS 80 HE1 LYS 80 16.362 3.257 -5.103 660 1HZ LYS 80 HZ1 LYS 80 15.438 0.999 -5.675 661 2HZ LYS 80 HZ2 LYS 80 13.919 1.734 -5.791 662 3HZ LYS 80 HZ3 LYS 80 14.756 1.754 -4.323 663 H GLN 81 HN GLN 81 12.689 7.747 -7.460 664 HA GLN 81 HA GLN 81 12.965 9.445 -9.672 665 1HB GLN 81 HB2 GLN 81 14.248 6.887 -9.964 666 2HB GLN 81 HB1 GLN 81 12.913 7.017 -11.101 667 1HG GLN 81 HG2 GLN 81 13.828 9.001 -12.057 668 2HG GLN 81 HG1 GLN 81 15.064 9.094 -10.803 669 1HE2 GLN 81 HE21 GLN 81 14.566 8.317 -13.920 670 2HE2 GLN 81 HE22 GLN 81 15.846 7.181 -14.161 671 H LEU 82 HN LEU 82 11.516 6.504 -8.374 672 HA LEU 82 HA LEU 82 9.170 6.638 -9.985 673 1HB LEU 82 HB2 LEU 82 8.343 5.089 -7.993 674 2HB LEU 82 HB1 LEU 82 9.401 4.509 -9.264 675 HG LEU 82 HG LEU 82 10.677 5.623 -6.819 676 1HD1 LEU 82 HD11 LEU 82 9.822 2.769 -6.796 677 2HD1 LEU 82 HD12 LEU 82 8.696 4.012 -6.251 678 3HD1 LEU 82 HD13 LEU 82 10.258 3.825 -5.454 679 1HD2 LEU 82 HD21 LEU 82 12.473 4.522 -7.576 680 2HD2 LEU 82 HD22 LEU 82 11.584 4.411 -9.094 681 3HD2 LEU 82 HD23 LEU 82 11.543 3.071 -7.949 682 H ASN 83 HN ASN 83 9.654 9.147 -8.724 683 HA ASN 83 HA ASN 83 8.024 9.555 -6.463 684 1HB ASN 83 HB2 ASN 83 9.429 11.344 -6.772 685 2HB ASN 83 HB1 ASN 83 9.297 11.282 -8.526 686 1HD2 ASN 83 HD21 ASN 83 7.900 12.599 -9.528 687 2HD2 ASN 83 HD22 ASN 83 6.817 13.679 -8.727 688 H HIS 84 HN HIS 84 7.268 8.891 -9.696 689 HA HIS 84 HA HIS 84 4.830 10.296 -9.974 690 1HB HIS 84 HB2 HIS 84 5.288 7.664 -11.327 691 2HB HIS 84 HB1 HIS 84 4.537 9.124 -11.958 692 HD1 HIS 84 HD1 HIS 84 7.733 7.333 -11.788 693 HD2 HIS 84 HD2 HIS 84 6.436 11.173 -12.700 694 HE1 HIS 84 HE1 HIS 84 9.661 8.429 -12.974 695 HE2 HIS 84 HE2 HIS 84 8.822 10.723 -13.593 696 H PHE 85 HN PHE 85 5.679 7.250 -8.481 697 HA PHE 85 HA PHE 85 3.162 6.051 -8.356 698 1HB PHE 85 HB2 PHE 85 5.437 5.073 -7.674 699 2HB PHE 85 HB1 PHE 85 5.178 5.868 -6.122 700 HD1 PHE 85 HD1 PHE 85 3.933 4.821 -4.461 701 HD2 PHE 85 HD2 PHE 85 3.626 3.453 -8.481 702 HE1 PHE 85 HE1 PHE 85 2.588 2.901 -3.701 703 HE2 PHE 85 HE2 PHE 85 2.283 1.534 -7.729 704 HZ PHE 85 HZ PHE 85 1.762 1.257 -5.338 705 H TRP 86 HN TRP 86 4.599 8.598 -6.427 706 HA TRP 86 HA TRP 86 2.525 8.585 -4.445 707 1HB TRP 86 HB2 TRP 86 4.870 9.392 -4.031 708 2HB TRP 86 HB1 TRP 86 4.504 10.789 -5.041 709 HD1 TRP 86 HD1 TRP 86 3.661 12.831 -3.767 710 HE1 TRP 86 HE1 TRP 86 2.577 13.259 -1.466 711 HE3 TRP 86 HE3 TRP 86 3.193 7.997 -2.189 712 HZ2 TRP 86 HZ2 TRP 86 1.648 11.736 0.726 713 HZ3 TRP 86 HZ3 TRP 86 2.198 7.564 0.018 714 HH2 TRP 86 HH2 TRP 86 1.443 9.396 1.444 715 H GLU 87 HN GLU 87 3.332 10.568 -7.272 716 HA GLU 87 HA GLU 87 1.214 12.412 -6.988 717 1HB GLU 87 HB2 GLU 87 3.067 11.606 -9.169 718 2HB GLU 87 HB1 GLU 87 1.593 12.434 -9.648 719 1HG GLU 87 HG2 GLU 87 2.165 14.284 -8.135 720 2HG GLU 87 HG1 GLU 87 3.668 13.460 -7.726 721 H ILE 88 HN ILE 88 1.386 9.172 -7.993 722 HA ILE 88 HA ILE 88 -1.144 9.195 -9.433 723 HB ILE 88 HB ILE 88 0.765 6.967 -8.725 724 1HG1 ILE 88 HG12 ILE 88 -0.124 7.820 -11.468 725 2HG1 ILE 88 HG11 ILE 88 1.169 8.679 -10.635 726 1HG2 ILE 88 HG21 ILE 88 -1.254 5.832 -8.627 727 2HG2 ILE 88 HG22 ILE 88 -0.789 5.641 -10.317 728 3HG2 ILE 88 HG23 ILE 88 -1.998 6.842 -9.866 729 1HD1 ILE 88 HD11 ILE 88 1.133 5.767 -11.388 730 2HD1 ILE 88 HD12 ILE 88 2.404 6.551 -10.448 731 3HD1 ILE 88 HD13 ILE 88 2.108 7.044 -12.117 732 H VAL 89 HN VAL 89 0.102 7.342 -6.660 733 HA VAL 89 HA VAL 89 -2.267 6.382 -5.666 734 HB VAL 89 HB VAL 89 0.193 7.240 -4.140 735 1HG1 VAL 89 HG11 VAL 89 -1.382 7.202 -2.442 736 2HG1 VAL 89 HG12 VAL 89 -0.776 5.547 -2.431 737 3HG1 VAL 89 HG13 VAL 89 -2.320 5.915 -3.199 738 1HG2 VAL 89 HG21 VAL 89 0.954 5.071 -4.363 739 2HG2 VAL 89 HG22 VAL 89 0.165 5.337 -5.917 740 3HG2 VAL 89 HG23 VAL 89 -0.661 4.422 -4.655 741 H VAL 90 HN VAL 90 -1.003 9.622 -5.403 742 HA VAL 90 HA VAL 90 -2.899 10.405 -3.365 743 HB VAL 90 HB VAL 90 -0.521 11.550 -4.529 744 1HG1 VAL 90 HG11 VAL 90 -1.221 13.928 -4.421 745 2HG1 VAL 90 HG12 VAL 90 -2.898 13.389 -4.342 746 3HG1 VAL 90 HG13 VAL 90 -1.924 13.040 -5.772 747 1HG2 VAL 90 HG21 VAL 90 -0.180 12.280 -2.415 748 2HG2 VAL 90 HG22 VAL 90 -1.423 11.079 -2.069 749 3HG2 VAL 90 HG23 VAL 90 -1.857 12.784 -2.199 750 H GLN 91 HN GLN 91 -2.371 11.190 -6.798 751 HA GLN 91 HA GLN 91 -4.570 12.784 -7.245 752 1HB GLN 91 HB2 GLN 91 -2.878 11.044 -8.925 753 2HB GLN 91 HB1 GLN 91 -4.455 11.435 -9.596 754 1HG GLN 91 HG2 GLN 91 -3.918 13.853 -9.165 755 2HG GLN 91 HG1 GLN 91 -2.274 13.336 -8.790 756 1HE2 GLN 91 HE21 GLN 91 -4.742 12.919 -11.307 757 2HE2 GLN 91 HE22 GLN 91 -3.647 13.023 -12.639 758 H ASP 92 HN ASP 92 -4.448 9.315 -6.861 759 HA ASP 92 HA ASP 92 -7.051 8.784 -7.888 760 1HB ASP 92 HB2 ASP 92 -5.016 7.248 -6.332 761 2HB ASP 92 HB1 ASP 92 -6.667 6.637 -6.393 762 H GLY 93 HN GLY 93 -6.392 10.706 -5.453 763 1HA GLY 93 HA2 GLY 93 -7.696 11.548 -3.755 764 2HA GLY 93 HA1 GLY 93 -8.952 10.411 -4.234 765 H ILE 94 HN ILE 94 -6.083 8.761 -3.681 766 HA ILE 94 HA ILE 94 -7.129 7.639 -1.237 767 HB ILE 94 HB ILE 94 -4.434 6.991 -2.400 768 1HG1 ILE 94 HG12 ILE 94 -7.026 5.686 -3.242 769 2HG1 ILE 94 HG11 ILE 94 -6.248 6.962 -4.176 770 1HG2 ILE 94 HG21 ILE 94 -4.757 4.863 -1.371 771 2HG2 ILE 94 HG22 ILE 94 -6.439 5.236 -0.995 772 3HG2 ILE 94 HG23 ILE 94 -5.139 6.100 -0.173 773 1HD1 ILE 94 HD11 ILE 94 -4.870 4.395 -3.448 774 2HD1 ILE 94 HD12 ILE 94 -4.372 5.602 -4.633 775 3HD1 ILE 94 HD13 ILE 94 -5.800 4.611 -4.931 776 H THR 95 HN THR 95 -6.242 7.754 0.795 777 HA THR 95 HA THR 95 -3.990 9.614 1.173 778 HB THR 95 HB THR 95 -5.993 10.848 1.754 779 HG1 THR 95 HG1 THR 95 -5.141 10.183 4.315 780 1HG2 THR 95 HG21 THR 95 -6.616 8.626 3.702 781 2HG2 THR 95 HG22 THR 95 -7.452 8.890 2.172 782 3HG2 THR 95 HG23 THR 95 -7.551 10.101 3.451 783 H LEU 96 HN LEU 96 -3.054 9.404 3.442 784 HA LEU 96 HA LEU 96 -2.237 6.750 3.855 785 1HB LEU 96 HB2 LEU 96 -1.562 9.301 4.891 786 2HB LEU 96 HB1 LEU 96 -1.910 8.260 6.261 787 HG LEU 96 HG LEU 96 -0.319 6.579 5.063 788 1HD1 LEU 96 HD11 LEU 96 1.552 8.040 3.988 789 2HD1 LEU 96 HD12 LEU 96 0.223 9.151 3.660 790 3HD1 LEU 96 HD13 LEU 96 0.175 7.507 3.022 791 1HD2 LEU 96 HD21 LEU 96 1.656 7.907 6.110 792 2HD2 LEU 96 HD22 LEU 96 0.364 7.295 7.143 793 3HD2 LEU 96 HD23 LEU 96 0.384 8.994 6.668 794 H ILE 97 HN ILE 97 -2.266 6.001 6.326 795 HA ILE 97 HA ILE 97 -4.885 5.039 6.784 796 HB ILE 97 HB ILE 97 -2.262 4.841 8.183 797 1HG1 ILE 97 HG12 ILE 97 -2.747 2.430 7.992 798 2HG1 ILE 97 HG11 ILE 97 -4.330 2.809 7.318 799 1HG2 ILE 97 HG21 ILE 97 -3.504 3.442 9.960 800 2HG2 ILE 97 HG22 ILE 97 -4.910 4.404 9.502 801 3HG2 ILE 97 HG23 ILE 97 -3.464 5.199 10.127 802 1HD1 ILE 97 HD11 ILE 97 -2.601 2.158 5.644 803 2HD1 ILE 97 HD12 ILE 97 -1.732 3.638 6.048 804 3HD1 ILE 97 HD13 ILE 97 -3.349 3.728 5.350 805 H THR 98 HN THR 98 -6.501 6.272 7.494 806 HA THR 98 HA THR 98 -5.931 8.529 9.264 807 HB THR 98 HB THR 98 -8.702 8.011 8.330 808 HG1 THR 98 HG1 THR 98 -6.984 9.298 6.527 809 1HG2 THR 98 HG21 THR 98 -8.013 10.612 7.776 810 2HG2 THR 98 HG22 THR 98 -7.032 10.247 9.195 811 3HG2 THR 98 HG23 THR 98 -8.784 10.051 9.260 812 H LYS 99 HN LYS 99 -6.742 8.744 11.290 813 HA LYS 99 HA LYS 99 -7.111 6.600 12.931 814 1HB LYS 99 HB2 LYS 99 -8.505 8.330 14.348 815 2HB LYS 99 HB1 LYS 99 -6.778 8.545 14.105 816 1HG LYS 99 HG2 LYS 99 -7.053 10.345 12.735 817 2HG LYS 99 HG1 LYS 99 -8.625 9.799 12.149 818 1HD LYS 99 HD2 LYS 99 -9.424 11.415 13.499 819 2HD LYS 99 HD1 LYS 99 -9.172 10.217 14.771 820 1HE LYS 99 HE2 LYS 99 -6.813 11.187 14.963 821 2HE LYS 99 HE1 LYS 99 -7.424 12.536 14.006 822 1HZ LYS 99 HZ1 LYS 99 -9.106 12.929 15.692 823 2HZ LYS 99 HZ2 LYS 99 -7.561 12.990 16.376 824 3HZ LYS 99 HZ3 LYS 99 -8.533 11.626 16.608 825 H GLU 100 HN GLU 100 -9.793 8.634 11.729 826 HA GLU 100 HA GLU 100 -11.823 6.924 12.670 827 1HB GLU 100 HB2 GLU 100 -12.331 9.213 12.200 828 2HB GLU 100 HB1 GLU 100 -11.832 9.043 10.522 829 1HG GLU 100 HG2 GLU 100 -13.933 7.178 11.251 830 2HG GLU 100 HG1 GLU 100 -14.400 8.859 11.500 831 H GLU 101 HN GLU 101 -9.960 6.946 9.713 832 HA GLU 101 HA GLU 101 -11.623 5.298 8.152 833 1HB GLU 101 HB2 GLU 101 -8.765 6.097 8.098 834 2HB GLU 101 HB1 GLU 101 -9.198 4.649 7.196 835 1HG GLU 101 HG2 GLU 101 -11.124 6.285 6.330 836 2HG GLU 101 HG1 GLU 101 -9.875 7.477 6.692 837 H ALA 102 HN ALA 102 -10.154 4.622 11.020 838 HA ALA 102 HA ALA 102 -10.038 1.733 10.446 839 1HB ALA 102 HB1 ALA 102 -8.293 1.458 11.969 840 2HB ALA 102 HB2 ALA 102 -8.598 3.013 12.744 841 3HB ALA 102 HB3 ALA 102 -7.879 2.955 11.134 842 H SER 103 HN SER 103 -9.946 0.858 13.099 843 HA SER 103 HA SER 103 -12.629 1.627 14.039 844 1HB SER 103 HB2 SER 103 -12.361 -0.729 13.206 845 2HB SER 103 HB1 SER 103 -11.226 -1.008 14.526 846 HG SER 103 HG SER 103 -13.996 -0.572 14.613 847 H GLY 104 HN GLY 104 -11.633 3.369 15.272 848 1HA GLY 104 HA2 GLY 104 -11.529 3.194 17.897 849 2HA GLY 104 HA1 GLY 104 -9.949 2.528 17.511 850 H SER 105 HN SER 105 -10.638 4.779 15.171 851 HA SER 105 HA SER 105 -9.624 6.765 14.685 852 1HB SER 105 HB2 SER 105 -10.733 7.435 17.420 853 2HB SER 105 HB1 SER 105 -10.272 8.605 16.180 854 HG SER 105 HG SER 105 -12.599 7.398 16.478 855 H SER 106 HN SER 106 -7.545 5.411 15.067 856 HA SER 106 HA SER 106 -5.942 6.811 17.106 857 1HB SER 106 HB2 SER 106 -4.549 4.508 16.777 858 2HB SER 106 HB1 SER 106 -5.766 4.747 18.031 859 HG SER 106 HG SER 106 -6.500 2.975 17.082 860 H VAL 107 HN VAL 107 -5.229 8.362 15.630 861 HA VAL 107 HA VAL 107 -2.830 7.767 14.295 862 HB VAL 107 HB VAL 107 -5.242 7.645 12.611 863 1HG1 VAL 107 HG11 VAL 107 -3.857 8.622 10.655 864 2HG1 VAL 107 HG12 VAL 107 -2.967 9.471 11.917 865 3HG1 VAL 107 HG13 VAL 107 -4.701 9.736 11.732 866 1HG2 VAL 107 HG21 VAL 107 -2.494 6.557 12.699 867 2HG2 VAL 107 HG22 VAL 107 -3.266 6.665 11.118 868 3HG2 VAL 107 HG23 VAL 107 -4.030 5.739 12.410 869 H THR 108 HN THR 108 -1.647 9.537 14.176 870 HA THR 108 HA THR 108 -2.616 11.969 15.247 871 HB THR 108 HB THR 108 -0.114 12.156 13.736 872 HG1 THR 108 HG1 THR 108 0.617 10.261 14.318 873 1HG2 THR 108 HG21 THR 108 -0.841 12.503 16.647 874 2HG2 THR 108 HG22 THR 108 -0.757 13.780 15.433 875 3HG2 THR 108 HG23 THR 108 0.710 12.935 15.927 876 H ALA 109 HN ALA 109 -2.708 14.031 14.280 877 HA ALA 109 HA ALA 109 -3.971 14.112 11.749 878 1HB ALA 109 HB1 ALA 109 -2.881 16.308 13.504 879 2HB ALA 109 HB2 ALA 109 -4.551 15.751 13.391 880 3HB ALA 109 HB3 ALA 109 -3.807 16.591 12.030 881 H GLU 110 HN GLU 110 -0.742 13.955 12.639 882 HA GLU 110 HA GLU 110 0.318 15.442 10.387 883 1HB GLU 110 HB2 GLU 110 1.314 14.757 12.883 884 2HB GLU 110 HB1 GLU 110 2.196 13.701 11.787 885 1HG GLU 110 HG2 GLU 110 2.968 15.602 10.516 886 2HG GLU 110 HG1 GLU 110 2.006 16.691 11.514 887 H GLU 111 HN GLU 111 -0.782 12.322 11.055 888 HA GLU 111 HA GLU 111 0.877 10.982 9.095 889 1HB GLU 111 HB2 GLU 111 0.399 9.547 10.856 890 2HB GLU 111 HB1 GLU 111 -1.256 10.123 11.015 891 1HG GLU 111 HG2 GLU 111 -2.029 8.804 9.314 892 2HG GLU 111 HG1 GLU 111 -0.446 8.662 8.553 893 H ALA 112 HN ALA 112 -2.574 11.790 9.472 894 HA ALA 112 HA ALA 112 -3.105 10.936 6.761 895 1HB ALA 112 HB1 ALA 112 -4.780 10.303 8.260 896 2HB ALA 112 HB2 ALA 112 -5.467 11.655 7.359 897 3HB ALA 112 HB3 ALA 112 -4.850 11.905 8.993 898 H LYS 113 HN LYS 113 -2.993 14.003 8.539 899 HA LYS 113 HA LYS 113 -3.942 15.447 6.210 900 1HB LYS 113 HB2 LYS 113 -2.898 16.713 8.725 901 2HB LYS 113 HB1 LYS 113 -4.053 17.361 7.568 902 1HG LYS 113 HG2 LYS 113 -5.599 15.480 8.272 903 2HG LYS 113 HG1 LYS 113 -4.481 15.203 9.610 904 1HD LYS 113 HD2 LYS 113 -5.118 17.078 10.701 905 2HD LYS 113 HD1 LYS 113 -5.340 17.995 9.211 906 1HE LYS 113 HE2 LYS 113 -7.466 16.956 8.819 907 2HE LYS 113 HE1 LYS 113 -7.223 15.846 10.167 908 1HZ LYS 113 HZ1 LYS 113 -7.457 18.796 10.418 909 2HZ LYS 113 HZ2 LYS 113 -7.320 17.691 11.691 910 3HZ LYS 113 HZ3 LYS 113 -8.706 17.695 10.724 911 H LYS 114 HN LYS 114 -0.913 15.361 8.119 912 HA LYS 114 HA LYS 114 0.437 17.282 6.592 913 1HB LYS 114 HB2 LYS 114 1.023 15.897 8.839 914 2HB LYS 114 HB1 LYS 114 2.078 15.092 7.689 915 1HG LYS 114 HG2 LYS 114 2.031 18.074 7.863 916 2HG LYS 114 HG1 LYS 114 2.959 17.121 9.022 917 1HD LYS 114 HD2 LYS 114 4.054 15.997 7.050 918 2HD LYS 114 HD1 LYS 114 3.277 17.207 6.028 919 1HE LYS 114 HE2 LYS 114 4.986 17.976 8.372 920 2HE LYS 114 HE1 LYS 114 5.683 17.648 6.787 921 1HZ LYS 114 HZ1 LYS 114 4.285 19.384 5.854 922 2HZ LYS 114 HZ2 LYS 114 5.255 20.004 7.093 923 3HZ LYS 114 HZ3 LYS 114 3.616 19.698 7.375 924 H PHE 115 HN PHE 115 -0.077 13.874 6.024 925 HA PHE 115 HA PHE 115 1.914 13.631 3.990 926 1HB PHE 115 HB2 PHE 115 -0.119 11.923 5.220 927 2HB PHE 115 HB1 PHE 115 0.113 11.610 3.500 928 HD1 PHE 115 HD1 PHE 115 1.536 11.340 6.821 929 HD2 PHE 115 HD2 PHE 115 2.317 10.919 2.661 930 HE1 PHE 115 HE1 PHE 115 3.541 10.012 7.336 931 HE2 PHE 115 HE2 PHE 115 4.322 9.588 3.166 932 HZ PHE 115 HZ PHE 115 4.933 9.131 5.506 933 H LEU 116 HN LEU 116 -1.505 14.423 4.042 934 HA LEU 116 HA LEU 116 -1.325 15.051 1.173 935 1HB LEU 116 HB2 LEU 116 -3.456 13.533 2.635 936 2HB LEU 116 HB1 LEU 116 -3.859 14.449 1.195 937 HG LEU 116 HG LEU 116 -1.776 13.043 0.242 938 1HD1 LEU 116 HD11 LEU 116 -2.160 10.677 1.088 939 2HD1 LEU 116 HD12 LEU 116 -2.946 11.421 2.480 940 3HD1 LEU 116 HD13 LEU 116 -1.251 11.763 2.137 941 1HD2 LEU 116 HD21 LEU 116 -3.361 11.673 -0.866 942 2HD2 LEU 116 HD22 LEU 116 -4.142 13.232 -0.602 943 3HD2 LEU 116 HD23 LEU 116 -4.536 11.861 0.436 944 H ALA 117 HN ALA 117 -0.905 17.224 1.824 945 HA ALA 117 HA ALA 117 -3.122 18.618 3.143 946 1HB ALA 117 HB1 ALA 117 -0.969 19.045 4.125 947 2HB ALA 117 HB2 ALA 117 -1.528 20.512 3.319 948 3HB ALA 117 HB3 ALA 117 -0.300 19.500 2.558 949 HA PRO 118 HA PRO 118 -4.525 20.406 -0.646 950 1HB PRO 118 HB2 PRO 118 -5.545 22.763 0.236 951 2HB PRO 118 HB1 PRO 118 -6.334 21.207 0.521 952 1HG PRO 118 HG2 PRO 118 -4.605 22.819 2.357 953 2HG PRO 118 HG1 PRO 118 -6.114 21.957 2.710 954 1HD PRO 118 HD2 PRO 118 -3.678 20.947 3.327 955 2HD PRO 118 HD1 PRO 118 -5.055 19.918 2.886 956 H LYS 119 HN LYS 119 -3.031 22.916 1.416 957 HA LYS 119 HA LYS 119 -1.889 24.170 -0.954 958 1HB LYS 119 HB2 LYS 119 -2.208 24.996 1.913 959 2HB LYS 119 HB1 LYS 119 -1.070 25.838 0.870 960 1HG LYS 119 HG2 LYS 119 -3.674 25.532 -0.370 961 2HG LYS 119 HG1 LYS 119 -3.753 26.400 1.165 962 1HD LYS 119 HD2 LYS 119 -2.019 27.940 0.380 963 2HD LYS 119 HD1 LYS 119 -1.939 27.070 -1.153 964 1HE LYS 119 HE2 LYS 119 -3.363 28.745 -1.753 965 2HE LYS 119 HE1 LYS 119 -4.536 27.574 -1.154 966 1HZ LYS 119 HZ1 LYS 119 -4.824 29.900 -0.328 967 2HZ LYS 119 HZ2 LYS 119 -3.384 29.716 0.539 968 3HZ LYS 119 HZ3 LYS 119 -4.710 28.727 0.886 969 H ASP 120 HN ASP 120 0.341 24.622 -1.171 970 HA ASP 120 HA ASP 120 2.042 22.628 0.138 971 1HB ASP 120 HB2 ASP 120 2.261 24.186 -2.421 972 2HB ASP 120 HB1 ASP 120 3.685 23.437 -1.705 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -5.262 -19.315 -12.824 2 2H GLY 1 HT2 GLY 1 -5.667 -19.067 -14.446 3 3H GLY 1 HT3 GLY 1 -6.868 -19.479 -13.329 4 1HA GLY 1 HA1 GLY 1 -6.657 -17.038 -14.063 5 2HA GLY 1 HA2 GLY 1 -6.923 -17.410 -12.366 6 HA PRO 2 HA PRO 2 -2.156 -16.338 -12.950 7 1HB PRO 2 HB2 PRO 2 -2.406 -14.649 -15.374 8 2HB PRO 2 HB1 PRO 2 -1.143 -15.800 -14.930 9 1HG PRO 2 HG2 PRO 2 -2.921 -16.383 -16.832 10 2HG PRO 2 HG1 PRO 2 -2.347 -17.623 -15.701 11 1HD PRO 2 HD2 PRO 2 -4.938 -16.126 -15.720 12 2HD PRO 2 HD1 PRO 2 -4.623 -17.833 -15.342 13 H VAL 3 HN VAL 3 -1.058 -14.059 -12.972 14 HA VAL 3 HA VAL 3 -1.032 -12.180 -11.626 15 HB VAL 3 HB VAL 3 -2.325 -10.300 -12.740 16 1HG1 VAL 3 HG11 VAL 3 0.053 -11.102 -13.238 17 2HG1 VAL 3 HG12 VAL 3 -0.741 -10.092 -14.447 18 3HG1 VAL 3 HG13 VAL 3 -0.636 -11.836 -14.686 19 1HG2 VAL 3 HG21 VAL 3 -2.917 -12.419 -14.803 20 2HG2 VAL 3 HG22 VAL 3 -3.344 -10.709 -14.878 21 3HG2 VAL 3 HG23 VAL 3 -4.107 -11.757 -13.682 22 H ASN 4 HN ASN 4 -2.345 -13.644 -10.024 23 HA ASN 4 HA ASN 4 -4.691 -12.067 -9.211 24 1HB ASN 4 HB2 ASN 4 -5.063 -14.483 -10.243 25 2HB ASN 4 HB1 ASN 4 -4.626 -14.993 -8.614 26 1HD2 ASN 4 HD21 ASN 4 -6.542 -15.694 -7.887 27 2HD2 ASN 4 HD22 ASN 4 -7.955 -14.710 -7.738 28 HA PRO 5 HA PRO 5 -1.679 -12.612 -5.710 29 1HB PRO 5 HB2 PRO 5 -0.815 -10.103 -5.433 30 2HB PRO 5 HB1 PRO 5 -0.153 -11.166 -6.680 31 1HG PRO 5 HG2 PRO 5 -2.162 -8.968 -6.929 32 2HG PRO 5 HG1 PRO 5 -0.838 -9.409 -8.024 33 1HD PRO 5 HD2 PRO 5 -3.506 -10.126 -8.354 34 2HD PRO 5 HD1 PRO 5 -2.125 -10.928 -9.128 35 H ALA 6 HN ALA 6 -3.801 -9.777 -6.179 36 HA ALA 6 HA ALA 6 -4.218 -9.312 -3.417 37 1HB ALA 6 HB1 ALA 6 -4.914 -8.051 -5.834 38 2HB ALA 6 HB2 ALA 6 -5.116 -7.439 -4.191 39 3HB ALA 6 HB3 ALA 6 -6.420 -8.345 -4.963 40 H GLU 7 HN GLU 7 -6.072 -11.094 -5.854 41 HA GLU 7 HA GLU 7 -8.265 -11.675 -4.137 42 1HB GLU 7 HB2 GLU 7 -7.331 -12.963 -6.702 43 2HB GLU 7 HB1 GLU 7 -8.824 -13.394 -5.882 44 1HG GLU 7 HG2 GLU 7 -8.580 -10.535 -6.323 45 2HG GLU 7 HG1 GLU 7 -8.522 -11.466 -7.819 46 H ASN 8 HN ASN 8 -5.391 -13.511 -5.119 47 HA ASN 8 HA ASN 8 -6.053 -15.876 -3.715 48 1HB ASN 8 HB2 ASN 8 -4.345 -15.685 -5.554 49 2HB ASN 8 HB1 ASN 8 -3.273 -14.903 -4.396 50 1HD2 ASN 8 HD21 ASN 8 -2.431 -16.109 -2.682 51 2HD2 ASN 8 HD22 ASN 8 -2.400 -17.836 -2.716 52 H PHE 9 HN PHE 9 -4.706 -12.857 -2.733 53 HA PHE 9 HA PHE 9 -3.569 -13.833 -0.276 54 1HB PHE 9 HB2 PHE 9 -2.457 -11.937 -1.020 55 2HB PHE 9 HB1 PHE 9 -3.938 -11.148 -1.548 56 HD1 PHE 9 HD1 PHE 9 -2.001 -12.109 1.460 57 HD2 PHE 9 HD2 PHE 9 -5.036 -9.612 -0.173 58 HE1 PHE 9 HE1 PHE 9 -2.040 -10.801 3.543 59 HE2 PHE 9 HE2 PHE 9 -5.081 -8.300 1.907 60 HZ PHE 9 HZ PHE 9 -3.581 -8.894 3.769 61 H ARG 10 HN ARG 10 -6.372 -11.809 -1.120 62 HA ARG 10 HA ARG 10 -7.388 -11.578 1.491 63 1HB ARG 10 HB2 ARG 10 -8.778 -11.396 -1.185 64 2HB ARG 10 HB1 ARG 10 -9.532 -10.969 0.346 65 1HG ARG 10 HG2 ARG 10 -8.067 -9.149 0.673 66 2HG ARG 10 HG1 ARG 10 -6.995 -9.686 -0.623 67 1HD ARG 10 HD2 ARG 10 -8.297 -8.804 -2.245 68 2HD ARG 10 HD1 ARG 10 -9.795 -9.200 -1.400 69 HE ARG 10 HE ARG 10 -8.500 -7.142 -0.009 70 1HH1 ARG 10 HH11 ARG 10 -10.120 -7.693 -3.045 71 2HH1 ARG 10 HH12 ARG 10 -10.655 -6.053 -3.203 72 1HH2 ARG 10 HH21 ARG 10 -9.200 -4.983 -0.209 73 2HH2 ARG 10 HH22 ARG 10 -10.132 -4.512 -1.591 74 H VAL 11 HN VAL 11 -7.738 -14.075 -0.933 75 HA VAL 11 HA VAL 11 -9.927 -15.371 0.413 76 HB VAL 11 HB VAL 11 -9.534 -15.501 -2.069 77 1HG1 VAL 11 HG11 VAL 11 -7.923 -16.976 -2.979 78 2HG1 VAL 11 HG12 VAL 11 -7.489 -17.597 -1.386 79 3HG1 VAL 11 HG13 VAL 11 -7.065 -15.945 -1.834 80 1HG2 VAL 11 HG21 VAL 11 -10.859 -17.149 -0.510 81 2HG2 VAL 11 HG22 VAL 11 -9.609 -18.284 -1.018 82 3HG2 VAL 11 HG23 VAL 11 -10.633 -17.504 -2.223 83 H LEU 12 HN LEU 12 -6.438 -15.956 0.079 84 HA LEU 12 HA LEU 12 -6.312 -18.371 1.465 85 1HB LEU 12 HB2 LEU 12 -4.482 -17.242 0.133 86 2HB LEU 12 HB1 LEU 12 -4.195 -16.229 1.539 87 HG LEU 12 HG LEU 12 -4.191 -19.078 2.178 88 1HD1 LEU 12 HD11 LEU 12 -2.219 -19.718 1.053 89 2HD1 LEU 12 HD12 LEU 12 -1.938 -18.083 0.456 90 3HD1 LEU 12 HD13 LEU 12 -3.278 -19.036 -0.180 91 1HD2 LEU 12 HD21 LEU 12 -2.013 -18.386 3.213 92 2HD2 LEU 12 HD22 LEU 12 -3.424 -17.489 3.774 93 3HD2 LEU 12 HD23 LEU 12 -2.321 -16.758 2.609 94 H VAL 13 HN VAL 13 -6.717 -15.131 2.627 95 HA VAL 13 HA VAL 13 -6.149 -15.952 5.385 96 HB VAL 13 HB VAL 13 -6.595 -13.516 5.919 97 1HG1 VAL 13 HG11 VAL 13 -4.380 -12.891 4.513 98 2HG1 VAL 13 HG12 VAL 13 -4.317 -14.651 4.439 99 3HG1 VAL 13 HG13 VAL 13 -4.366 -13.835 6.002 100 1HG2 VAL 13 HG21 VAL 13 -7.459 -12.213 4.346 101 2HG2 VAL 13 HG22 VAL 13 -7.345 -13.516 3.163 102 3HG2 VAL 13 HG23 VAL 13 -5.987 -12.417 3.397 103 H LYS 14 HN LYS 14 -8.740 -15.841 3.294 104 HA LYS 14 HA LYS 14 -10.672 -15.417 5.470 105 1HB LYS 14 HB2 LYS 14 -10.732 -14.046 3.280 106 2HB LYS 14 HB1 LYS 14 -11.379 -15.510 2.552 107 1HG LYS 14 HG2 LYS 14 -13.108 -15.426 4.459 108 2HG LYS 14 HG1 LYS 14 -12.591 -13.749 4.639 109 1HD LYS 14 HD2 LYS 14 -13.013 -13.544 2.122 110 2HD LYS 14 HD1 LYS 14 -13.886 -15.071 2.272 111 1HE LYS 14 HE2 LYS 14 -14.558 -12.919 4.197 112 2HE LYS 14 HE1 LYS 14 -15.078 -12.701 2.526 113 1HZ LYS 14 HZ1 LYS 14 -16.188 -14.855 2.643 114 2HZ LYS 14 HZ2 LYS 14 -16.783 -13.797 3.821 115 3HZ LYS 14 HZ3 LYS 14 -15.712 -15.030 4.257 116 H GLN 15 HN GLN 15 -9.168 -17.872 3.814 117 HA GLN 15 HA GLN 15 -11.475 -19.676 4.167 118 1HB GLN 15 HB2 GLN 15 -9.113 -20.080 2.328 119 2HB GLN 15 HB1 GLN 15 -10.545 -21.098 2.443 120 1HG GLN 15 HG2 GLN 15 -10.601 -18.213 1.597 121 2HG GLN 15 HG1 GLN 15 -10.506 -19.574 0.478 122 1HE2 GLN 15 HE21 GLN 15 -12.268 -21.086 0.458 123 2HE2 GLN 15 HE22 GLN 15 -13.858 -20.562 0.887 124 H LYS 16 HN LYS 16 -8.434 -18.860 5.344 125 HA LYS 16 HA LYS 16 -8.387 -20.897 7.265 126 1HB LYS 16 HB2 LYS 16 -7.606 -22.572 5.936 127 2HB LYS 16 HB1 LYS 16 -6.997 -21.463 4.720 128 1HG LYS 16 HG2 LYS 16 -5.083 -22.474 5.517 129 2HG LYS 16 HG1 LYS 16 -5.130 -20.963 6.426 130 1HD LYS 16 HD2 LYS 16 -4.733 -22.418 8.141 131 2HD LYS 16 HD1 LYS 16 -6.497 -22.463 8.131 132 1HE LYS 16 HE2 LYS 16 -5.557 -24.368 6.248 133 2HE LYS 16 HE1 LYS 16 -4.659 -24.599 7.748 134 1HZ LYS 16 HZ1 LYS 16 -6.427 -25.528 8.674 135 2HZ LYS 16 HZ2 LYS 16 -7.223 -25.459 7.183 136 3HZ LYS 16 HZ3 LYS 16 -7.407 -24.200 8.298 137 H LYS 17 HN LYS 17 -7.437 -19.906 8.916 138 HA LYS 17 HA LYS 17 -5.953 -17.527 8.528 139 1HB LYS 17 HB2 LYS 17 -6.203 -19.163 11.058 140 2HB LYS 17 HB1 LYS 17 -5.719 -17.477 10.948 141 1HG LYS 17 HG2 LYS 17 -8.352 -18.206 9.809 142 2HG LYS 17 HG1 LYS 17 -8.190 -18.222 11.567 143 1HD LYS 17 HD2 LYS 17 -7.203 -15.898 11.360 144 2HD LYS 17 HD1 LYS 17 -7.742 -15.920 9.680 145 1HE LYS 17 HE2 LYS 17 -10.037 -16.219 10.382 146 2HE LYS 17 HE1 LYS 17 -9.535 -16.335 12.069 147 1HZ LYS 17 HZ1 LYS 17 -8.932 -14.079 12.102 148 2HZ LYS 17 HZ2 LYS 17 -10.430 -14.121 11.318 149 3HZ LYS 17 HZ3 LYS 17 -9.011 -13.932 10.418 150 H ALA 18 HN ALA 18 -4.218 -18.195 7.194 151 HA ALA 18 HA ALA 18 -2.242 -20.009 8.343 152 1HB ALA 18 HB1 ALA 18 -2.601 -18.763 5.640 153 2HB ALA 18 HB2 ALA 18 -2.550 -20.469 6.079 154 3HB ALA 18 HB3 ALA 18 -1.072 -19.508 6.103 155 H SER 19 HN SER 19 -2.831 -17.328 9.440 156 HA SER 19 HA SER 19 -1.624 -15.746 10.554 157 1HB SER 19 HB2 SER 19 0.895 -16.671 9.177 158 2HB SER 19 HB1 SER 19 0.730 -15.865 10.740 159 HG SER 19 HG SER 19 0.335 -17.724 11.655 160 H PHE 20 HN PHE 20 -1.965 -13.747 9.940 161 HA PHE 20 HA PHE 20 -2.076 -12.878 7.283 162 1HB PHE 20 HB2 PHE 20 -3.213 -11.818 9.265 163 2HB PHE 20 HB1 PHE 20 -1.658 -11.121 9.705 164 HD1 PHE 20 HD1 PHE 20 -0.692 -9.320 8.419 165 HD2 PHE 20 HD2 PHE 20 -4.439 -11.024 7.338 166 HE1 PHE 20 HE1 PHE 20 -1.134 -7.401 6.943 167 HE2 PHE 20 HE2 PHE 20 -4.887 -9.109 5.859 168 HZ PHE 20 HZ PHE 20 -3.233 -7.295 5.660 169 H GLU 21 HN GLU 21 0.525 -12.835 9.624 170 HA GLU 21 HA GLU 21 2.276 -11.028 8.526 171 1HB GLU 21 HB2 GLU 21 2.452 -12.544 10.643 172 2HB GLU 21 HB1 GLU 21 3.306 -13.640 9.566 173 1HG GLU 21 HG2 GLU 21 4.947 -11.924 9.079 174 2HG GLU 21 HG1 GLU 21 4.074 -10.779 10.096 175 H GLU 22 HN GLU 22 2.226 -14.534 7.799 176 HA GLU 22 HA GLU 22 4.209 -14.520 5.857 177 1HB GLU 22 HB2 GLU 22 1.988 -16.316 6.602 178 2HB GLU 22 HB1 GLU 22 2.599 -16.508 4.965 179 1HG GLU 22 HG2 GLU 22 4.911 -16.647 6.022 180 2HG GLU 22 HG1 GLU 22 4.066 -16.847 7.556 181 H ALA 23 HN ALA 23 0.692 -14.195 5.418 182 HA ALA 23 HA ALA 23 0.726 -13.983 2.619 183 1HB ALA 23 HB1 ALA 23 -1.334 -12.525 4.200 184 2HB ALA 23 HB2 ALA 23 -1.243 -14.281 4.334 185 3HB ALA 23 HB3 ALA 23 -1.515 -13.530 2.762 186 H SER 24 HN SER 24 1.034 -11.550 5.153 187 HA SER 24 HA SER 24 0.861 -9.279 3.490 188 1HB SER 24 HB2 SER 24 1.398 -8.041 5.370 189 2HB SER 24 HB1 SER 24 0.824 -9.529 6.122 190 HG SER 24 HG SER 24 2.734 -9.770 6.938 191 H ASN 25 HN ASN 25 3.686 -10.986 4.823 192 HA ASN 25 HA ASN 25 5.683 -9.484 3.636 193 1HB ASN 25 HB2 ASN 25 5.463 -12.206 4.744 194 2HB ASN 25 HB1 ASN 25 6.769 -11.988 3.582 195 1HD2 ASN 25 HD21 ASN 25 5.570 -11.221 6.716 196 2HD2 ASN 25 HD22 ASN 25 6.976 -10.399 7.290 197 H GLN 26 HN GLN 26 4.009 -12.343 2.348 198 HA GLN 26 HA GLN 26 5.407 -12.528 -0.067 199 1HB GLN 26 HB2 GLN 26 2.766 -13.471 0.925 200 2HB GLN 26 HB1 GLN 26 3.031 -13.496 -0.813 201 1HG GLN 26 HG2 GLN 26 5.139 -14.792 -0.361 202 2HG GLN 26 HG1 GLN 26 4.590 -14.937 1.311 203 1HE2 GLN 26 HE21 GLN 26 4.915 -16.751 -1.197 204 2HE2 GLN 26 HE22 GLN 26 3.472 -17.699 -1.165 205 H LEU 27 HN LEU 27 2.401 -10.808 0.709 206 HA LEU 27 HA LEU 27 1.837 -9.807 -1.823 207 1HB LEU 27 HB2 LEU 27 0.663 -9.634 0.620 208 2HB LEU 27 HB1 LEU 27 1.275 -7.998 0.437 209 HG LEU 27 HG LEU 27 -1.050 -8.187 -0.308 210 1HD1 LEU 27 HD11 LEU 27 -0.772 -7.188 -2.543 211 2HD1 LEU 27 HD12 LEU 27 0.925 -7.666 -2.521 212 3HD1 LEU 27 HD13 LEU 27 0.322 -6.499 -1.344 213 1HD2 LEU 27 HD21 LEU 27 -0.231 -9.804 -2.668 214 2HD2 LEU 27 HD22 LEU 27 -1.810 -9.643 -1.900 215 3HD2 LEU 27 HD23 LEU 27 -0.560 -10.631 -1.145 216 H ILE 28 HN ILE 28 3.772 -8.339 0.790 217 HA ILE 28 HA ILE 28 4.381 -5.968 -0.583 218 HB ILE 28 HB ILE 28 4.848 -6.883 1.945 219 1HG1 ILE 28 HG12 ILE 28 6.287 -4.716 2.102 220 2HG1 ILE 28 HG11 ILE 28 5.859 -4.515 0.403 221 1HG2 ILE 28 HG21 ILE 28 7.173 -7.011 2.396 222 2HG2 ILE 28 HG22 ILE 28 7.587 -6.571 0.739 223 3HG2 ILE 28 HG23 ILE 28 6.846 -8.135 1.076 224 1HD1 ILE 28 HD11 ILE 28 3.978 -3.558 1.053 225 2HD1 ILE 28 HD12 ILE 28 4.329 -3.923 2.743 226 3HD1 ILE 28 HD13 ILE 28 3.469 -5.098 1.746 227 H ASN 29 HN ASN 29 5.897 -9.144 -0.583 228 HA ASN 29 HA ASN 29 8.264 -8.409 -1.940 229 1HB ASN 29 HB2 ASN 29 7.185 -10.764 -0.865 230 2HB ASN 29 HB1 ASN 29 7.390 -11.096 -2.583 231 1HD2 ASN 29 HD21 ASN 29 9.433 -11.168 -3.458 232 2HD2 ASN 29 HD22 ASN 29 10.863 -11.212 -2.491 233 H HIS 30 HN HIS 30 5.135 -9.643 -3.050 234 HA HIS 30 HA HIS 30 5.720 -9.796 -5.781 235 1HB HIS 30 HB2 HIS 30 3.289 -9.723 -4.119 236 2HB HIS 30 HB1 HIS 30 3.067 -9.112 -5.757 237 HD1 HIS 30 HD1 HIS 30 4.802 -12.161 -4.253 238 HD2 HIS 30 HD2 HIS 30 2.267 -11.111 -7.374 239 HE1 HIS 30 HE1 HIS 30 4.310 -14.306 -5.471 240 HE2 HIS 30 HE2 HIS 30 2.843 -13.632 -7.406 241 H ILE 31 HN ILE 31 4.416 -7.145 -3.828 242 HA ILE 31 HA ILE 31 4.026 -5.279 -5.864 243 HB ILE 31 HB ILE 31 4.856 -4.775 -3.000 244 1HG1 ILE 31 HG12 ILE 31 2.099 -4.513 -4.191 245 2HG1 ILE 31 HG11 ILE 31 2.676 -6.036 -3.515 246 1HG2 ILE 31 HG21 ILE 31 5.326 -2.766 -4.072 247 2HG2 ILE 31 HG22 ILE 31 3.677 -2.536 -3.493 248 3HG2 ILE 31 HG23 ILE 31 3.970 -2.930 -5.187 249 1HD1 ILE 31 HD11 ILE 31 1.595 -5.158 -1.714 250 2HD1 ILE 31 HD12 ILE 31 1.978 -3.493 -2.152 251 3HD1 ILE 31 HD13 ILE 31 3.217 -4.525 -1.437 252 H GLU 32 HN GLU 32 6.888 -5.820 -3.816 253 HA GLU 32 HA GLU 32 8.546 -3.874 -4.888 254 1HB GLU 32 HB2 GLU 32 9.111 -6.562 -3.663 255 2HB GLU 32 HB1 GLU 32 10.417 -5.538 -4.244 256 1HG GLU 32 HG2 GLU 32 9.700 -3.761 -2.730 257 2HG GLU 32 HG1 GLU 32 8.391 -4.790 -2.146 258 H GLN 33 HN GLN 33 7.968 -7.189 -5.985 259 HA GLN 33 HA GLN 33 9.862 -7.256 -8.046 260 1HB GLN 33 HB2 GLN 33 7.369 -8.749 -7.409 261 2HB GLN 33 HB1 GLN 33 7.979 -8.871 -9.053 262 1HG GLN 33 HG2 GLN 33 10.202 -9.517 -8.037 263 2HG GLN 33 HG1 GLN 33 9.345 -9.675 -6.505 264 1HE2 GLN 33 HE21 GLN 33 10.582 -11.453 -8.827 265 2HE2 GLN 33 HE22 GLN 33 9.464 -12.767 -8.888 266 H PHE 34 HN PHE 34 6.459 -6.283 -8.044 267 HA PHE 34 HA PHE 34 6.174 -5.671 -10.733 268 1HB PHE 34 HB2 PHE 34 4.848 -4.756 -8.229 269 2HB PHE 34 HB1 PHE 34 4.557 -3.818 -9.691 270 HD1 PHE 34 HD1 PHE 34 3.531 -6.590 -7.781 271 HD2 PHE 34 HD2 PHE 34 3.841 -5.190 -11.788 272 HE1 PHE 34 HE1 PHE 34 1.825 -8.220 -8.478 273 HE2 PHE 34 HE2 PHE 34 2.135 -6.817 -12.493 274 HZ PHE 34 HZ PHE 34 1.124 -8.335 -10.836 275 H LEU 35 HN LEU 35 7.763 -3.883 -8.185 276 HA LEU 35 HA LEU 35 7.968 -1.421 -9.626 277 1HB LEU 35 HB2 LEU 35 9.289 -2.530 -7.168 278 2HB LEU 35 HB1 LEU 35 9.817 -1.008 -7.866 279 HG LEU 35 HG LEU 35 6.917 -1.210 -7.397 280 1HD1 LEU 35 HD11 LEU 35 7.255 -0.682 -4.956 281 2HD1 LEU 35 HD12 LEU 35 8.898 -1.294 -5.138 282 3HD1 LEU 35 HD13 LEU 35 7.524 -2.361 -5.425 283 1HD2 LEU 35 HD21 LEU 35 8.654 0.932 -6.306 284 2HD2 LEU 35 HD22 LEU 35 7.082 1.039 -7.099 285 3HD2 LEU 35 HD23 LEU 35 8.539 0.785 -8.059 286 H ASP 36 HN ASP 36 9.597 -4.390 -9.765 287 HA ASP 36 HA ASP 36 12.169 -3.486 -10.596 288 1HB ASP 36 HB2 ASP 36 11.395 -5.843 -9.735 289 2HB ASP 36 HB1 ASP 36 11.071 -6.143 -11.439 290 H THR 37 HN THR 37 9.207 -3.297 -12.067 291 HA THR 37 HA THR 37 10.431 -3.127 -14.737 292 HB THR 37 HB THR 37 7.805 -3.537 -15.318 293 HG1 THR 37 HG1 THR 37 7.481 -5.564 -13.917 294 1HG2 THR 37 HG21 THR 37 9.784 -5.778 -14.920 295 2HG2 THR 37 HG22 THR 37 9.846 -4.646 -16.270 296 3HG2 THR 37 HG23 THR 37 8.453 -5.711 -16.076 297 H ASN 38 HN ASN 38 10.551 -1.070 -15.276 298 HA ASN 38 HA ASN 38 8.826 0.928 -14.132 299 1HB ASN 38 HB2 ASN 38 10.137 2.475 -15.656 300 2HB ASN 38 HB1 ASN 38 11.087 1.586 -14.467 301 1HD2 ASN 38 HD21 ASN 38 10.595 2.255 -17.755 302 2HD2 ASN 38 HD22 ASN 38 11.776 1.171 -18.399 303 H GLU 39 HN GLU 39 7.016 -0.535 -15.239 304 HA GLU 39 HA GLU 39 6.417 0.638 -17.873 305 1HB GLU 39 HB2 GLU 39 5.929 -2.035 -16.687 306 2HB GLU 39 HB1 GLU 39 4.650 -1.387 -17.705 307 1HG GLU 39 HG2 GLU 39 7.516 -1.559 -18.589 308 2HG GLU 39 HG1 GLU 39 6.346 -2.854 -18.844 309 H THR 40 HN THR 40 4.044 0.928 -18.299 310 HA THR 40 HA THR 40 2.915 2.473 -16.144 311 HB THR 40 HB THR 40 1.672 1.918 -18.841 312 HG1 THR 40 HG1 THR 40 2.794 3.657 -19.593 313 1HG2 THR 40 HG21 THR 40 0.132 2.843 -17.190 314 2HG2 THR 40 HG22 THR 40 0.508 4.044 -18.425 315 3HG2 THR 40 HG23 THR 40 1.269 4.144 -16.839 316 HA PRO 41 HA PRO 41 -0.582 -0.834 -16.462 317 1HB PRO 41 HB2 PRO 41 -0.063 -3.160 -17.733 318 2HB PRO 41 HB1 PRO 41 -0.684 -1.736 -18.580 319 1HG PRO 41 HG2 PRO 41 2.126 -2.759 -18.401 320 2HG PRO 41 HG1 PRO 41 1.247 -2.144 -19.813 321 1HD PRO 41 HD2 PRO 41 3.020 -0.641 -18.409 322 2HD PRO 41 HD1 PRO 41 1.616 0.054 -19.241 323 H TYR 42 HN TYR 42 2.735 -1.557 -15.924 324 HA TYR 42 HA TYR 42 2.258 -3.871 -14.264 325 1HB TYR 42 HB2 TYR 42 4.651 -2.315 -15.129 326 2HB TYR 42 HB1 TYR 42 4.783 -3.291 -13.669 327 HD1 TYR 42 HD1 TYR 42 3.755 -3.522 -17.247 328 HD2 TYR 42 HD2 TYR 42 5.303 -5.551 -13.842 329 HE1 TYR 42 HE1 TYR 42 4.159 -5.517 -18.626 330 HE2 TYR 42 HE2 TYR 42 5.712 -7.552 -15.213 331 HH TYR 42 HH TYR 42 4.371 -8.037 -18.205 332 H PHE 43 HN PHE 43 2.722 -0.429 -13.824 333 HA PHE 43 HA PHE 43 3.015 -0.640 -10.962 334 1HB PHE 43 HB2 PHE 43 3.119 1.515 -12.970 335 2HB PHE 43 HB1 PHE 43 2.469 1.995 -11.403 336 HD1 PHE 43 HD1 PHE 43 3.864 2.176 -9.493 337 HD2 PHE 43 HD2 PHE 43 5.410 0.613 -13.136 338 HE1 PHE 43 HE1 PHE 43 6.147 2.354 -8.595 339 HE2 PHE 43 HE2 PHE 43 7.697 0.788 -12.246 340 HZ PHE 43 HZ PHE 43 8.068 1.659 -9.971 341 H MET 44 HN MET 44 0.443 -0.268 -13.240 342 HA MET 44 HA MET 44 -1.511 0.880 -11.569 343 1HB MET 44 HB2 MET 44 -1.577 -0.771 -14.064 344 2HB MET 44 HB1 MET 44 -3.075 -0.507 -13.182 345 1HG MET 44 HG2 MET 44 -2.704 1.926 -13.351 346 2HG MET 44 HG1 MET 44 -1.267 1.611 -14.321 347 1HE MET 44 HE1 MET 44 -2.164 3.148 -16.264 348 2HE MET 44 HE2 MET 44 -3.606 3.515 -15.317 349 3HE MET 44 HE3 MET 44 -3.762 2.985 -16.991 350 H LYS 45 HN LYS 45 -0.324 -2.374 -11.963 351 HA LYS 45 HA LYS 45 -2.389 -3.625 -10.426 352 1HB LYS 45 HB2 LYS 45 -0.796 -4.672 -12.199 353 2HB LYS 45 HB1 LYS 45 0.339 -4.808 -10.860 354 1HG LYS 45 HG2 LYS 45 -0.619 -6.740 -10.356 355 2HG LYS 45 HG1 LYS 45 -2.056 -5.836 -9.877 356 1HD LYS 45 HD2 LYS 45 -2.874 -5.969 -12.204 357 2HD LYS 45 HD1 LYS 45 -1.465 -6.947 -12.620 358 1HE LYS 45 HE2 LYS 45 -3.592 -7.660 -10.601 359 2HE LYS 45 HE1 LYS 45 -3.428 -8.345 -12.219 360 1HZ LYS 45 HZ1 LYS 45 -2.383 -9.909 -10.931 361 2HZ LYS 45 HZ2 LYS 45 -1.752 -8.778 -9.843 362 3HZ LYS 45 HZ3 LYS 45 -1.065 -8.946 -11.379 363 H SER 46 HN SER 46 0.660 -2.089 -9.759 364 HA SER 46 HA SER 46 1.180 -3.200 -7.222 365 1HB SER 46 HB2 SER 46 1.878 -0.374 -8.029 366 2HB SER 46 HB1 SER 46 2.756 -1.445 -6.934 367 HG SER 46 HG SER 46 2.920 -2.817 -8.958 368 H ILE 47 HN ILE 47 -0.482 -0.218 -8.207 369 HA ILE 47 HA ILE 47 -1.255 0.616 -5.647 370 HB ILE 47 HB ILE 47 -2.898 1.061 -8.136 371 1HG1 ILE 47 HG12 ILE 47 -0.691 2.904 -7.277 372 2HG1 ILE 47 HG11 ILE 47 -0.335 1.522 -8.309 373 1HG2 ILE 47 HG21 ILE 47 -3.839 1.772 -5.962 374 2HG2 ILE 47 HG22 ILE 47 -3.550 3.117 -7.066 375 3HG2 ILE 47 HG23 ILE 47 -2.437 2.817 -5.731 376 1HD1 ILE 47 HD11 ILE 47 -0.685 3.615 -9.556 377 2HD1 ILE 47 HD12 ILE 47 -2.341 3.669 -8.950 378 3HD1 ILE 47 HD13 ILE 47 -1.828 2.348 -10.001 379 H ASP 48 HN ASP 48 -2.761 -1.547 -7.992 380 HA ASP 48 HA ASP 48 -5.191 -1.955 -6.640 381 1HB ASP 48 HB2 ASP 48 -4.087 -2.845 -9.002 382 2HB ASP 48 HB1 ASP 48 -4.153 -4.319 -8.035 383 H CYS 49 HN CYS 49 -2.000 -3.174 -6.120 384 HA CYS 49 HA CYS 49 -2.811 -5.329 -4.384 385 1HB CYS 49 HB2 CYS 49 -0.124 -4.120 -5.050 386 2HB CYS 49 HB1 CYS 49 -0.320 -5.420 -3.876 387 HG CYS 49 HG CYS 49 -1.870 -6.628 -6.330 388 H ILE 50 HN ILE 50 -1.522 -2.052 -4.046 389 HA ILE 50 HA ILE 50 -1.271 -2.147 -1.220 390 HB ILE 50 HB ILE 50 -0.299 -0.449 -3.021 391 1HG1 ILE 50 HG12 ILE 50 -1.021 0.613 -0.291 392 2HG1 ILE 50 HG11 ILE 50 0.149 -0.691 -0.506 393 1HG2 ILE 50 HG21 ILE 50 -2.785 0.368 -3.292 394 2HG2 ILE 50 HG22 ILE 50 -1.438 1.504 -3.363 395 3HG2 ILE 50 HG23 ILE 50 -2.380 1.345 -1.881 396 1HD1 ILE 50 HD11 ILE 50 1.671 0.689 -1.581 397 2HD1 ILE 50 HD12 ILE 50 1.006 1.715 -0.310 398 3HD1 ILE 50 HD13 ILE 50 0.448 1.898 -1.973 399 H ARG 51 HN ARG 51 -3.899 -1.491 -3.406 400 HA ARG 51 HA ARG 51 -5.588 -0.210 -1.485 401 1HB ARG 51 HB2 ARG 51 -5.949 -1.311 -4.243 402 2HB ARG 51 HB1 ARG 51 -7.372 -0.954 -3.274 403 1HG ARG 51 HG2 ARG 51 -5.517 1.242 -3.189 404 2HG ARG 51 HG1 ARG 51 -5.908 0.813 -4.855 405 1HD ARG 51 HD2 ARG 51 -8.331 0.859 -4.183 406 2HD ARG 51 HD1 ARG 51 -7.816 1.545 -2.642 407 HE ARG 51 HE ARG 51 -6.712 3.280 -4.273 408 1HH1 ARG 51 HH11 ARG 51 -9.856 1.796 -4.500 409 2HH1 ARG 51 HH12 ARG 51 -10.575 3.144 -5.318 410 1HH2 ARG 51 HH21 ARG 51 -7.649 5.057 -5.349 411 2HH2 ARG 51 HH22 ARG 51 -9.321 4.998 -5.801 412 H ALA 52 HN ALA 52 -5.007 -3.496 -2.514 413 HA ALA 52 HA ALA 52 -7.305 -4.595 -1.181 414 1HB ALA 52 HB1 ALA 52 -6.143 -6.785 -1.632 415 2HB ALA 52 HB2 ALA 52 -4.856 -5.854 -2.402 416 3HB ALA 52 HB3 ALA 52 -6.493 -5.807 -3.058 417 H PHE 53 HN PHE 53 -3.911 -4.086 -0.473 418 HA PHE 53 HA PHE 53 -3.971 -5.549 2.001 419 1HB PHE 53 HB2 PHE 53 -1.920 -5.199 0.558 420 2HB PHE 53 HB1 PHE 53 -1.900 -3.531 1.128 421 HD1 PHE 53 HD1 PHE 53 -0.924 -2.976 3.177 422 HD2 PHE 53 HD2 PHE 53 -1.728 -7.054 2.261 423 HE1 PHE 53 HE1 PHE 53 0.351 -3.670 5.163 424 HE2 PHE 53 HE2 PHE 53 -0.455 -7.755 4.247 425 HZ PHE 53 HZ PHE 53 0.587 -6.062 5.700 426 H ARG 54 HN ARG 54 -3.816 -2.102 1.134 427 HA ARG 54 HA ARG 54 -3.797 -0.996 3.662 428 1HB ARG 54 HB2 ARG 54 -3.652 0.162 1.373 429 2HB ARG 54 HB1 ARG 54 -5.409 0.190 1.413 430 1HG ARG 54 HG2 ARG 54 -3.970 1.261 3.773 431 2HG ARG 54 HG1 ARG 54 -3.930 2.207 2.284 432 1HD ARG 54 HD2 ARG 54 -6.581 1.175 2.984 433 2HD ARG 54 HD1 ARG 54 -5.912 2.309 4.160 434 HE ARG 54 HE ARG 54 -5.606 3.334 1.547 435 1HH1 ARG 54 HH11 ARG 54 -8.043 2.733 3.965 436 2HH1 ARG 54 HH12 ARG 54 -9.080 4.008 3.422 437 1HH2 ARG 54 HH21 ARG 54 -6.966 5.017 0.826 438 2HH2 ARG 54 HH22 ARG 54 -8.468 5.307 1.638 439 H GLU 55 HN GLU 55 -6.429 -2.512 1.975 440 HA GLU 55 HA GLU 55 -8.433 -1.463 3.782 441 1HB GLU 55 HB2 GLU 55 -8.773 -2.002 1.299 442 2HB GLU 55 HB1 GLU 55 -8.838 -3.687 1.798 443 1HG GLU 55 HG2 GLU 55 -10.706 -3.106 3.323 444 2HG GLU 55 HG1 GLU 55 -10.685 -1.474 2.657 445 H GLU 56 HN GLU 56 -7.179 -4.711 2.994 446 HA GLU 56 HA GLU 56 -8.602 -6.019 5.061 447 1HB GLU 56 HB2 GLU 56 -6.228 -6.792 3.383 448 2HB GLU 56 HB1 GLU 56 -6.864 -7.856 4.634 449 1HG GLU 56 HG2 GLU 56 -9.014 -6.943 2.992 450 2HG GLU 56 HG1 GLU 56 -7.727 -7.585 1.973 451 H ALA 57 HN ALA 57 -5.579 -4.300 5.048 452 HA ALA 57 HA ALA 57 -4.680 -5.504 7.527 453 1HB ALA 57 HB1 ALA 57 -3.422 -3.146 6.164 454 2HB ALA 57 HB2 ALA 57 -3.161 -4.800 5.612 455 3HB ALA 57 HB3 ALA 57 -2.674 -4.326 7.239 456 H ILE 58 HN ILE 58 -5.325 -2.154 6.467 457 HA ILE 58 HA ILE 58 -5.230 -0.986 8.989 458 HB ILE 58 HB ILE 58 -6.584 -0.187 6.440 459 1HG1 ILE 58 HG12 ILE 58 -4.994 1.747 6.701 460 2HG1 ILE 58 HG11 ILE 58 -4.341 0.939 8.125 461 1HG2 ILE 58 HG21 ILE 58 -8.155 0.698 7.914 462 2HG2 ILE 58 HG22 ILE 58 -7.036 2.034 7.647 463 3HG2 ILE 58 HG23 ILE 58 -6.936 1.084 9.129 464 1HD1 ILE 58 HD11 ILE 58 -3.419 0.677 5.566 465 2HD1 ILE 58 HD12 ILE 58 -4.411 -0.767 5.768 466 3HD1 ILE 58 HD13 ILE 58 -3.096 -0.436 6.896 467 H LYS 59 HN LYS 59 -7.975 -2.449 7.289 468 HA LYS 59 HA LYS 59 -10.031 -1.697 8.968 469 1HB LYS 59 HB2 LYS 59 -9.549 -4.080 7.241 470 2HB LYS 59 HB1 LYS 59 -10.895 -4.136 8.369 471 1HG LYS 59 HG2 LYS 59 -11.761 -2.040 7.385 472 2HG LYS 59 HG1 LYS 59 -10.457 -2.101 6.194 473 1HD LYS 59 HD2 LYS 59 -11.337 -3.971 5.140 474 2HD LYS 59 HD1 LYS 59 -12.278 -4.449 6.554 475 1HE LYS 59 HE2 LYS 59 -13.762 -2.534 6.212 476 2HE LYS 59 HE1 LYS 59 -12.816 -2.052 4.803 477 1HZ LYS 59 HZ1 LYS 59 -14.666 -3.222 3.986 478 2HZ LYS 59 HZ2 LYS 59 -14.502 -4.466 5.122 479 3HZ LYS 59 HZ3 LYS 59 -13.372 -4.308 3.873 480 H PHE 60 HN PHE 60 -7.856 -4.517 9.304 481 HA PHE 60 HA PHE 60 -7.832 -4.329 12.118 482 1HB PHE 60 HB2 PHE 60 -9.016 -6.472 12.646 483 2HB PHE 60 HB1 PHE 60 -10.074 -5.176 12.102 484 HD1 PHE 60 HD1 PHE 60 -10.838 -5.212 9.674 485 HD2 PHE 60 HD2 PHE 60 -9.029 -8.548 11.594 486 HE1 PHE 60 HE1 PHE 60 -11.787 -6.704 7.965 487 HE2 PHE 60 HE2 PHE 60 -9.972 -10.048 9.888 488 HZ PHE 60 HZ PHE 60 -11.354 -9.126 8.070 489 H SER 61 HN SER 61 -5.616 -4.483 11.679 490 HA SER 61 HA SER 61 -4.541 -7.063 11.910 491 1HB SER 61 HB2 SER 61 -4.923 -6.113 9.186 492 2HB SER 61 HB1 SER 61 -3.237 -6.502 9.525 493 HG SER 61 HG SER 61 -4.304 -8.507 10.507 494 H GLU 62 HN GLU 62 -2.799 -4.899 9.847 495 HA GLU 62 HA GLU 62 -1.322 -3.860 12.162 496 1HB GLU 62 HB2 GLU 62 -0.234 -5.378 9.817 497 2HB GLU 62 HB1 GLU 62 0.765 -4.174 10.625 498 1HG GLU 62 HG2 GLU 62 0.491 -5.367 12.740 499 2HG GLU 62 HG1 GLU 62 -0.503 -6.576 11.926 500 H GLU 63 HN GLU 63 -2.943 -2.133 11.349 501 HA GLU 63 HA GLU 63 -2.586 -0.682 9.031 502 1HB GLU 63 HB2 GLU 63 -3.395 1.297 10.390 503 2HB GLU 63 HB1 GLU 63 -4.419 -0.131 10.425 504 1HG GLU 63 HG2 GLU 63 -2.961 -0.655 12.578 505 2HG GLU 63 HG1 GLU 63 -2.802 1.103 12.575 506 H GLN 64 HN GLN 64 -0.661 -0.606 11.971 507 HA GLN 64 HA GLN 64 0.817 1.742 11.413 508 1HB GLN 64 HB2 GLN 64 1.579 -0.684 13.052 509 2HB GLN 64 HB1 GLN 64 2.431 0.856 13.069 510 1HG GLN 64 HG2 GLN 64 0.380 1.949 13.887 511 2HG GLN 64 HG1 GLN 64 -0.411 0.374 13.938 512 1HE2 GLN 64 HE21 GLN 64 2.558 1.950 15.077 513 2HE2 GLN 64 HE22 GLN 64 2.553 1.213 16.640 514 H ARG 65 HN ARG 65 0.923 -1.385 10.060 515 HA ARG 65 HA ARG 65 3.673 -1.344 9.239 516 1HB ARG 65 HB2 ARG 65 2.623 -3.489 9.492 517 2HB ARG 65 HB1 ARG 65 1.314 -3.039 8.411 518 1HG ARG 65 HG2 ARG 65 2.899 -2.941 6.545 519 2HG ARG 65 HG1 ARG 65 4.195 -3.438 7.636 520 1HD ARG 65 HD2 ARG 65 2.260 -5.341 8.074 521 2HD ARG 65 HD1 ARG 65 2.114 -5.026 6.343 522 HE ARG 65 HE ARG 65 4.417 -5.668 6.096 523 1HH1 ARG 65 HH11 ARG 65 2.998 -6.344 9.206 524 2HH1 ARG 65 HH12 ARG 65 4.168 -7.553 9.620 525 1HH2 ARG 65 HH21 ARG 65 5.960 -7.257 6.633 526 2HH2 ARG 65 HH22 ARG 65 5.851 -8.072 8.158 527 H PHE 66 HN PHE 66 0.793 0.104 8.185 528 HA PHE 66 HA PHE 66 1.657 0.398 5.424 529 1HB PHE 66 HB2 PHE 66 -0.807 0.094 6.266 530 2HB PHE 66 HB1 PHE 66 -0.716 1.831 6.565 531 HD1 PHE 66 HD1 PHE 66 -1.062 -0.758 4.081 532 HD2 PHE 66 HD2 PHE 66 -0.234 3.371 4.676 533 HE1 PHE 66 HE1 PHE 66 -1.534 -0.323 1.706 534 HE2 PHE 66 HE2 PHE 66 -0.712 3.815 2.306 535 HZ PHE 66 HZ PHE 66 -1.360 1.967 0.818 536 H ASN 67 HN ASN 67 0.963 2.463 8.250 537 HA ASN 67 HA ASN 67 1.895 4.853 7.070 538 1HB ASN 67 HB2 ASN 67 2.352 5.371 9.655 539 2HB ASN 67 HB1 ASN 67 0.729 5.376 8.980 540 1HD2 ASN 67 HD21 ASN 67 -0.670 3.730 9.506 541 2HD2 ASN 67 HD22 ASN 67 -0.362 2.635 10.804 542 H ASN 68 HN ASN 68 3.400 2.069 8.201 543 HA ASN 68 HA ASN 68 5.974 3.205 8.826 544 1HB ASN 68 HB2 ASN 68 5.437 1.111 9.870 545 2HB ASN 68 HB1 ASN 68 5.054 0.368 8.321 546 1HD2 ASN 68 HD21 ASN 68 7.505 1.166 10.566 547 2HD2 ASN 68 HD22 ASN 68 8.828 0.450 9.717 548 H PHE 69 HN PHE 69 4.804 1.103 6.207 549 HA PHE 69 HA PHE 69 7.024 1.462 4.526 550 1HB PHE 69 HB2 PHE 69 5.129 -0.309 4.447 551 2HB PHE 69 HB1 PHE 69 4.277 0.877 3.462 552 HD1 PHE 69 HD1 PHE 69 4.970 1.358 1.221 553 HD2 PHE 69 HD2 PHE 69 7.177 -1.361 3.640 554 HE1 PHE 69 HE1 PHE 69 6.181 0.574 -0.771 555 HE2 PHE 69 HE2 PHE 69 8.392 -2.150 1.651 556 HZ PHE 69 HZ PHE 69 7.894 -1.182 -0.558 557 H LEU 70 HN LEU 70 4.130 3.370 4.975 558 HA LEU 70 HA LEU 70 4.286 4.853 2.565 559 1HB LEU 70 HB2 LEU 70 2.886 5.221 5.178 560 2HB LEU 70 HB1 LEU 70 3.007 6.598 4.098 561 HG LEU 70 HG LEU 70 1.527 4.017 3.684 562 1HD1 LEU 70 HD11 LEU 70 0.550 6.787 3.108 563 2HD1 LEU 70 HD12 LEU 70 0.570 6.169 4.760 564 3HD1 LEU 70 HD13 LEU 70 -0.368 5.338 3.520 565 1HD2 LEU 70 HD21 LEU 70 2.360 5.995 1.570 566 2HD2 LEU 70 HD22 LEU 70 1.057 4.823 1.366 567 3HD2 LEU 70 HD23 LEU 70 2.710 4.266 1.627 568 H LYS 71 HN LYS 71 5.335 5.623 5.882 569 HA LYS 71 HA LYS 71 6.480 8.090 5.394 570 1HB LYS 71 HB2 LYS 71 6.959 5.936 7.397 571 2HB LYS 71 HB1 LYS 71 8.139 7.236 7.289 572 1HG LYS 71 HG2 LYS 71 6.337 8.872 7.652 573 2HG LYS 71 HG1 LYS 71 5.192 7.538 7.829 574 1HD LYS 71 HD2 LYS 71 6.640 6.686 9.702 575 2HD LYS 71 HD1 LYS 71 7.542 8.200 9.596 576 1HE LYS 71 HE2 LYS 71 5.548 9.467 10.105 577 2HE LYS 71 HE1 LYS 71 4.573 7.996 10.087 578 1HZ LYS 71 HZ1 LYS 71 5.086 8.649 12.340 579 2HZ LYS 71 HZ2 LYS 71 6.746 8.628 12.012 580 3HZ LYS 71 HZ3 LYS 71 5.860 7.187 11.982 581 H ALA 72 HN ALA 72 7.894 4.864 5.014 582 HA ALA 72 HA ALA 72 10.476 5.819 4.255 583 1HB ALA 72 HB1 ALA 72 10.874 3.485 3.541 584 2HB ALA 72 HB2 ALA 72 9.173 3.129 3.847 585 3HB ALA 72 HB3 ALA 72 10.229 3.602 5.179 586 H LEU 73 HN LEU 73 7.650 4.672 2.465 587 HA LEU 73 HA LEU 73 8.743 4.756 -0.112 588 1HB LEU 73 HB2 LEU 73 6.572 3.697 0.548 589 2HB LEU 73 HB1 LEU 73 5.876 5.305 0.661 590 HG LEU 73 HG LEU 73 6.690 5.512 -1.827 591 1HD1 LEU 73 HD11 LEU 73 6.493 2.531 -1.429 592 2HD1 LEU 73 HD12 LEU 73 7.905 3.444 -1.959 593 3HD1 LEU 73 HD13 LEU 73 6.485 3.335 -2.999 594 1HD2 LEU 73 HD21 LEU 73 4.409 5.729 -1.373 595 2HD2 LEU 73 HD22 LEU 73 4.272 4.070 -0.791 596 3HD2 LEU 73 HD23 LEU 73 4.494 4.385 -2.511 597 H GLN 74 HN GLN 74 7.273 7.225 1.893 598 HA GLN 74 HA GLN 74 7.064 9.243 -0.059 599 1HB GLN 74 HB2 GLN 74 6.111 9.093 2.382 600 2HB GLN 74 HB1 GLN 74 7.617 9.892 2.812 601 1HG GLN 74 HG2 GLN 74 6.315 11.182 0.573 602 2HG GLN 74 HG1 GLN 74 5.271 11.101 1.991 603 1HE2 GLN 74 HE21 GLN 74 6.925 13.250 0.552 604 2HE2 GLN 74 HE22 GLN 74 7.738 14.058 1.845 605 H GLU 75 HN GLU 75 9.514 8.752 2.483 606 HA GLU 75 HA GLU 75 11.266 10.755 1.764 607 1HB GLU 75 HB2 GLU 75 11.547 8.145 3.160 608 2HB GLU 75 HB1 GLU 75 13.025 8.945 2.641 609 1HG GLU 75 HG2 GLU 75 12.380 10.945 3.890 610 2HG GLU 75 HG1 GLU 75 10.906 10.135 4.416 611 H LYS 76 HN LYS 76 10.827 7.608 0.275 612 HA LYS 76 HA LYS 76 13.233 7.823 -1.321 613 1HB LYS 76 HB2 LYS 76 11.015 5.825 -1.075 614 2HB LYS 76 HB1 LYS 76 12.057 5.787 -2.490 615 1HG LYS 76 HG2 LYS 76 14.015 5.563 -1.022 616 2HG LYS 76 HG1 LYS 76 12.940 5.543 0.378 617 1HD LYS 76 HD2 LYS 76 11.794 3.558 -0.698 618 2HD LYS 76 HD1 LYS 76 13.140 3.517 -1.840 619 1HE LYS 76 HE2 LYS 76 14.708 3.117 -0.087 620 2HE LYS 76 HE1 LYS 76 13.488 3.414 1.150 621 1HZ LYS 76 HZ1 LYS 76 13.942 1.041 0.804 622 2HZ LYS 76 HZ2 LYS 76 13.410 1.172 -0.795 623 3HZ LYS 76 HZ3 LYS 76 12.329 1.435 0.477 624 H VAL 77 HN VAL 77 9.761 7.651 -2.036 625 HA VAL 77 HA VAL 77 9.838 8.241 -4.729 626 HB VAL 77 HB VAL 77 7.814 7.557 -3.391 627 1HG1 VAL 77 HG11 VAL 77 8.050 9.283 -1.636 628 2HG1 VAL 77 HG12 VAL 77 6.447 9.261 -2.368 629 3HG1 VAL 77 HG13 VAL 77 7.606 10.511 -2.819 630 1HG2 VAL 77 HG21 VAL 77 7.834 8.427 -5.769 631 2HG2 VAL 77 HG22 VAL 77 7.268 9.957 -5.101 632 3HG2 VAL 77 HG23 VAL 77 6.296 8.499 -4.909 633 H GLU 78 HN GLU 78 10.111 10.344 -1.969 634 HA GLU 78 HA GLU 78 9.689 12.826 -3.143 635 1HB GLU 78 HB2 GLU 78 11.066 11.819 -0.752 636 2HB GLU 78 HB1 GLU 78 11.725 13.328 -1.367 637 1HG GLU 78 HG2 GLU 78 9.248 14.093 -1.408 638 2HG GLU 78 HG1 GLU 78 9.003 12.751 -0.292 639 H ILE 79 HN ILE 79 12.757 11.071 -2.704 640 HA ILE 79 HA ILE 79 14.322 12.851 -4.222 641 HB ILE 79 HB ILE 79 14.787 9.895 -3.796 642 1HG1 ILE 79 HG12 ILE 79 16.409 11.730 -2.236 643 2HG1 ILE 79 HG11 ILE 79 14.691 11.956 -1.915 644 1HG2 ILE 79 HG21 ILE 79 16.546 12.108 -4.805 645 2HG2 ILE 79 HG22 ILE 79 16.217 10.539 -5.538 646 3HG2 ILE 79 HG23 ILE 79 17.212 10.642 -4.085 647 1HD1 ILE 79 HD11 ILE 79 14.539 9.495 -1.511 648 2HD1 ILE 79 HD12 ILE 79 15.517 10.387 -0.347 649 3HD1 ILE 79 HD13 ILE 79 16.298 9.437 -1.612 650 H LYS 80 HN LYS 80 14.109 9.548 -5.400 651 HA LYS 80 HA LYS 80 12.803 10.333 -7.850 652 1HB LYS 80 HB2 LYS 80 14.570 9.965 -9.301 653 2HB LYS 80 HB1 LYS 80 15.386 10.733 -7.947 654 1HG LYS 80 HG2 LYS 80 15.744 8.267 -7.149 655 2HG LYS 80 HG1 LYS 80 15.480 7.901 -8.856 656 1HD LYS 80 HD2 LYS 80 17.371 9.057 -9.529 657 2HD LYS 80 HD1 LYS 80 17.408 10.048 -8.070 658 1HE LYS 80 HE2 LYS 80 18.626 8.543 -6.938 659 2HE LYS 80 HE1 LYS 80 17.699 7.181 -7.568 660 1HZ LYS 80 HZ1 LYS 80 18.960 7.455 -9.678 661 2HZ LYS 80 HZ2 LYS 80 19.916 6.992 -8.361 662 3HZ LYS 80 HZ3 LYS 80 19.941 8.595 -8.902 663 H GLN 81 HN GLN 81 12.693 8.325 -9.326 664 HA GLN 81 HA GLN 81 12.035 6.192 -9.690 665 1HB GLN 81 HB2 GLN 81 13.968 5.934 -7.495 666 2HB GLN 81 HB1 GLN 81 12.792 4.628 -7.568 667 1HG GLN 81 HG2 GLN 81 13.563 4.901 -10.187 668 2HG GLN 81 HG1 GLN 81 15.054 5.212 -9.299 669 1HE2 GLN 81 HE21 GLN 81 16.103 3.556 -8.354 670 2HE2 GLN 81 HE22 GLN 81 15.576 1.911 -8.399 671 H LEU 82 HN LEU 82 9.951 5.768 -9.580 672 HA LEU 82 HA LEU 82 7.970 5.037 -8.786 673 1HB LEU 82 HB2 LEU 82 7.688 4.132 -6.730 674 2HB LEU 82 HB1 LEU 82 9.438 4.135 -6.786 675 HG LEU 82 HG LEU 82 8.821 6.584 -5.633 676 1HD1 LEU 82 HD11 LEU 82 6.773 4.534 -4.980 677 2HD1 LEU 82 HD12 LEU 82 6.635 6.291 -5.051 678 3HD1 LEU 82 HD13 LEU 82 7.400 5.521 -3.662 679 1HD2 LEU 82 HD21 LEU 82 10.318 4.315 -5.094 680 2HD2 LEU 82 HD22 LEU 82 9.250 4.470 -3.698 681 3HD2 LEU 82 HD23 LEU 82 10.301 5.810 -4.158 682 H ASN 83 HN ASN 83 9.196 7.887 -8.872 683 HA ASN 83 HA ASN 83 7.781 9.608 -7.228 684 1HB ASN 83 HB2 ASN 83 9.637 10.175 -8.871 685 2HB ASN 83 HB1 ASN 83 8.399 10.188 -10.123 686 1HD2 ASN 83 HD21 ASN 83 9.906 11.920 -7.628 687 2HD2 ASN 83 HD22 ASN 83 8.915 13.333 -7.686 688 H HIS 84 HN HIS 84 6.823 8.182 -10.317 689 HA HIS 84 HA HIS 84 4.404 9.568 -10.628 690 1HB HIS 84 HB2 HIS 84 3.775 7.665 -12.136 691 2HB HIS 84 HB1 HIS 84 5.333 8.397 -12.502 692 HD1 HIS 84 HD1 HIS 84 7.129 6.903 -10.524 693 HD2 HIS 84 HD2 HIS 84 4.189 5.072 -12.818 694 HE1 HIS 84 HE1 HIS 84 7.806 4.488 -10.678 695 HE2 HIS 84 HE2 HIS 84 6.076 3.426 -12.170 696 H PHE 85 HN PHE 85 5.237 6.725 -8.758 697 HA PHE 85 HA PHE 85 2.710 5.668 -8.299 698 1HB PHE 85 HB2 PHE 85 5.047 4.801 -7.561 699 2HB PHE 85 HB1 PHE 85 4.766 5.760 -6.109 700 HD1 PHE 85 HD1 PHE 85 3.656 4.800 -4.325 701 HD2 PHE 85 HD2 PHE 85 3.129 3.162 -8.218 702 HE1 PHE 85 HE1 PHE 85 2.332 2.956 -3.366 703 HE2 PHE 85 HE2 PHE 85 1.808 1.317 -7.267 704 HZ PHE 85 HZ PHE 85 1.408 1.214 -4.840 705 H TRP 86 HN TRP 86 4.349 8.361 -6.691 706 HA TRP 86 HA TRP 86 2.283 8.701 -4.736 707 1HB TRP 86 HB2 TRP 86 4.720 9.401 -4.489 708 2HB TRP 86 HB1 TRP 86 4.333 10.761 -5.540 709 HD1 TRP 86 HD1 TRP 86 3.421 12.854 -4.391 710 HE1 TRP 86 HE1 TRP 86 2.549 13.426 -2.031 711 HE3 TRP 86 HE3 TRP 86 3.369 8.155 -2.396 712 HZ2 TRP 86 HZ2 TRP 86 1.926 12.052 0.360 713 HZ3 TRP 86 HZ3 TRP 86 2.623 7.865 -0.070 714 HH2 TRP 86 HH2 TRP 86 1.916 9.774 1.278 715 H GLU 87 HN GLU 87 3.171 10.277 -7.781 716 HA GLU 87 HA GLU 87 1.243 12.314 -7.717 717 1HB GLU 87 HB2 GLU 87 3.237 11.547 -9.458 718 2HB GLU 87 HB1 GLU 87 1.777 11.215 -10.382 719 1HG GLU 87 HG2 GLU 87 1.922 13.830 -9.015 720 2HG GLU 87 HG1 GLU 87 3.002 13.581 -10.385 721 H ILE 88 HN ILE 88 1.057 8.940 -8.432 722 HA ILE 88 HA ILE 88 -1.594 9.124 -9.612 723 HB ILE 88 HB ILE 88 0.080 6.710 -8.903 724 1HG1 ILE 88 HG12 ILE 88 -0.676 7.621 -11.667 725 2HG1 ILE 88 HG11 ILE 88 0.718 8.322 -10.845 726 1HG2 ILE 88 HG21 ILE 88 -1.982 5.754 -8.849 727 2HG2 ILE 88 HG22 ILE 88 -1.715 5.714 -10.590 728 3HG2 ILE 88 HG23 ILE 88 -2.705 6.988 -9.880 729 1HD1 ILE 88 HD11 ILE 88 1.667 6.061 -10.605 730 2HD1 ILE 88 HD12 ILE 88 1.431 6.539 -12.287 731 3HD1 ILE 88 HD13 ILE 88 0.303 5.421 -11.522 732 H VAL 89 HN VAL 89 -0.208 7.389 -6.827 733 HA VAL 89 HA VAL 89 -2.475 6.582 -5.552 734 HB VAL 89 HB VAL 89 0.150 7.515 -4.425 735 1HG1 VAL 89 HG11 VAL 89 -1.217 7.993 -2.599 736 2HG1 VAL 89 HG12 VAL 89 -0.674 6.344 -2.286 737 3HG1 VAL 89 HG13 VAL 89 -2.291 6.633 -2.925 738 1HG2 VAL 89 HG21 VAL 89 -1.079 4.772 -4.392 739 2HG2 VAL 89 HG22 VAL 89 0.607 5.218 -4.134 740 3HG2 VAL 89 HG23 VAL 89 -0.109 5.365 -5.739 741 H VAL 90 HN VAL 90 -1.125 9.828 -5.581 742 HA VAL 90 HA VAL 90 -2.912 10.818 -3.556 743 HB VAL 90 HB VAL 90 -0.620 11.822 -4.964 744 1HG1 VAL 90 HG11 VAL 90 -2.100 13.121 -6.345 745 2HG1 VAL 90 HG12 VAL 90 -1.311 14.185 -5.182 746 3HG1 VAL 90 HG13 VAL 90 -2.984 13.689 -4.929 747 1HG2 VAL 90 HG21 VAL 90 -2.148 12.891 -2.597 748 2HG2 VAL 90 HG22 VAL 90 -0.503 13.334 -3.053 749 3HG2 VAL 90 HG23 VAL 90 -0.862 11.685 -2.544 750 H GLN 91 HN GLN 91 -2.648 11.178 -7.077 751 HA GLN 91 HA GLN 91 -4.909 12.698 -7.544 752 1HB GLN 91 HB2 GLN 91 -3.190 12.047 -9.244 753 2HB GLN 91 HB1 GLN 91 -3.931 10.455 -9.317 754 1HG GLN 91 HG2 GLN 91 -6.018 11.456 -10.087 755 2HG GLN 91 HG1 GLN 91 -5.281 13.055 -10.005 756 1HE2 GLN 91 HE21 GLN 91 -6.288 11.003 -12.155 757 2HE2 GLN 91 HE22 GLN 91 -5.089 11.152 -13.388 758 H ASP 92 HN ASP 92 -4.640 9.197 -7.143 759 HA ASP 92 HA ASP 92 -7.319 8.569 -7.760 760 1HB ASP 92 HB2 ASP 92 -5.050 7.179 -6.431 761 2HB ASP 92 HB1 ASP 92 -6.665 6.533 -6.153 762 H GLY 93 HN GLY 93 -6.208 10.441 -5.319 763 1HA GLY 93 HA2 GLY 93 -7.356 11.386 -3.554 764 2HA GLY 93 HA1 GLY 93 -8.697 10.301 -3.895 765 H ILE 94 HN ILE 94 -5.887 8.484 -3.601 766 HA ILE 94 HA ILE 94 -6.740 7.211 -1.255 767 HB ILE 94 HB ILE 94 -3.914 7.231 -2.312 768 1HG1 ILE 94 HG12 ILE 94 -6.147 5.330 -3.054 769 2HG1 ILE 94 HG11 ILE 94 -5.655 6.697 -4.053 770 1HG2 ILE 94 HG21 ILE 94 -3.810 4.996 -1.291 771 2HG2 ILE 94 HG22 ILE 94 -5.445 5.216 -0.669 772 3HG2 ILE 94 HG23 ILE 94 -4.138 6.255 -0.102 773 1HD1 ILE 94 HD11 ILE 94 -3.350 5.676 -4.083 774 2HD1 ILE 94 HD12 ILE 94 -4.605 4.797 -4.955 775 3HD1 ILE 94 HD13 ILE 94 -4.078 4.238 -3.368 776 H THR 95 HN THR 95 -6.528 7.704 0.816 777 HA THR 95 HA THR 95 -4.910 10.028 1.539 778 HB THR 95 HB THR 95 -6.215 10.176 3.558 779 HG1 THR 95 HG1 THR 95 -7.878 8.597 3.942 780 1HG2 THR 95 HG21 THR 95 -8.077 9.557 1.264 781 2HG2 THR 95 HG22 THR 95 -7.194 11.071 1.456 782 3HG2 THR 95 HG23 THR 95 -8.408 10.600 2.646 783 H LEU 96 HN LEU 96 -4.672 9.589 4.242 784 HA LEU 96 HA LEU 96 -2.551 7.549 4.263 785 1HB LEU 96 HB2 LEU 96 -2.939 10.118 5.767 786 2HB LEU 96 HB1 LEU 96 -1.928 8.851 6.437 787 HG LEU 96 HG LEU 96 -0.890 10.804 5.014 788 1HD1 LEU 96 HD11 LEU 96 0.750 9.448 5.693 789 2HD1 LEU 96 HD12 LEU 96 0.666 8.801 4.055 790 3HD1 LEU 96 HD13 LEU 96 -0.183 7.986 5.369 791 1HD2 LEU 96 HD21 LEU 96 -0.778 10.532 2.721 792 2HD2 LEU 96 HD22 LEU 96 -2.453 10.101 3.063 793 3HD2 LEU 96 HD23 LEU 96 -1.256 8.835 2.794 794 H ILE 97 HN ILE 97 -2.203 6.608 6.514 795 HA ILE 97 HA ILE 97 -4.588 5.304 7.318 796 HB ILE 97 HB ILE 97 -1.743 5.260 8.161 797 1HG1 ILE 97 HG12 ILE 97 -2.004 2.880 7.875 798 2HG1 ILE 97 HG11 ILE 97 -3.759 3.030 7.833 799 1HG2 ILE 97 HG21 ILE 97 -3.990 4.636 10.027 800 2HG2 ILE 97 HG22 ILE 97 -2.457 5.452 10.344 801 3HG2 ILE 97 HG23 ILE 97 -2.494 3.704 10.100 802 1HD1 ILE 97 HD11 ILE 97 -1.944 4.254 5.770 803 2HD1 ILE 97 HD12 ILE 97 -3.696 4.072 5.700 804 3HD1 ILE 97 HD13 ILE 97 -2.658 2.649 5.618 805 H THR 98 HN THR 98 -6.163 6.529 8.189 806 HA THR 98 HA THR 98 -5.465 8.535 10.203 807 HB THR 98 HB THR 98 -8.255 8.154 9.195 808 HG1 THR 98 HG1 THR 98 -7.236 8.279 7.259 809 1HG2 THR 98 HG21 THR 98 -6.615 10.564 9.988 810 2HG2 THR 98 HG22 THR 98 -7.866 9.784 10.957 811 3HG2 THR 98 HG23 THR 98 -8.297 10.607 9.459 812 H LYS 99 HN LYS 99 -6.153 8.485 12.262 813 HA LYS 99 HA LYS 99 -6.581 6.160 13.621 814 1HB LYS 99 HB2 LYS 99 -7.743 7.763 15.347 815 2HB LYS 99 HB1 LYS 99 -6.029 7.917 14.997 816 1HG LYS 99 HG2 LYS 99 -6.398 9.797 13.592 817 2HG LYS 99 HG1 LYS 99 -8.146 9.553 13.629 818 1HD LYS 99 HD2 LYS 99 -6.668 9.987 16.187 819 2HD LYS 99 HD1 LYS 99 -7.027 11.367 15.149 820 1HE LYS 99 HE2 LYS 99 -9.439 10.343 15.147 821 2HE LYS 99 HE1 LYS 99 -8.888 9.565 16.630 822 1HZ LYS 99 HZ1 LYS 99 -9.868 11.558 17.307 823 2HZ LYS 99 HZ2 LYS 99 -9.146 12.457 16.070 824 3HZ LYS 99 HZ3 LYS 99 -8.208 11.880 17.353 825 H GLU 100 HN GLU 100 -9.145 8.478 12.725 826 HA GLU 100 HA GLU 100 -11.295 7.006 13.707 827 1HB GLU 100 HB2 GLU 100 -11.246 9.419 12.850 828 2HB GLU 100 HB1 GLU 100 -11.468 8.730 11.246 829 1HG GLU 100 HG2 GLU 100 -13.533 7.621 12.084 830 2HG GLU 100 HG1 GLU 100 -13.332 8.504 13.596 831 H GLU 101 HN GLU 101 -9.506 6.662 10.730 832 HA GLU 101 HA GLU 101 -11.390 4.578 9.853 833 1HB GLU 101 HB2 GLU 101 -9.249 5.750 8.105 834 2HB GLU 101 HB1 GLU 101 -10.752 4.965 7.635 835 1HG GLU 101 HG2 GLU 101 -11.926 6.950 8.722 836 2HG GLU 101 HG1 GLU 101 -10.345 7.731 8.711 837 H ALA 102 HN ALA 102 -9.124 4.419 11.844 838 HA ALA 102 HA ALA 102 -7.328 2.543 10.505 839 1HB ALA 102 HB1 ALA 102 -7.236 4.039 13.084 840 2HB ALA 102 HB2 ALA 102 -6.034 3.937 11.798 841 3HB ALA 102 HB3 ALA 102 -6.268 2.576 12.895 842 H SER 103 HN SER 103 -8.077 2.211 13.887 843 HA SER 103 HA SER 103 -9.657 -0.203 13.364 844 1HB SER 103 HB2 SER 103 -7.540 -1.184 13.682 845 2HB SER 103 HB1 SER 103 -7.097 -0.035 14.944 846 HG SER 103 HG SER 103 -7.969 -1.313 16.355 847 H GLY 104 HN GLY 104 -8.944 2.557 15.240 848 1HA GLY 104 HA2 GLY 104 -11.398 2.642 16.543 849 2HA GLY 104 HA1 GLY 104 -10.268 1.871 17.650 850 H SER 105 HN SER 105 -10.184 4.641 15.404 851 HA SER 105 HA SER 105 -9.313 6.731 15.622 852 1HB SER 105 HB2 SER 105 -10.727 6.256 18.223 853 2HB SER 105 HB1 SER 105 -9.830 7.756 17.976 854 HG SER 105 HG SER 105 -11.829 8.199 17.234 855 H SER 106 HN SER 106 -7.345 4.859 15.830 856 HA SER 106 HA SER 106 -5.605 5.986 17.924 857 1HB SER 106 HB2 SER 106 -6.103 3.167 17.143 858 2HB SER 106 HB1 SER 106 -4.430 3.602 17.494 859 HG SER 106 HG SER 106 -5.805 4.687 19.405 860 H VAL 107 HN VAL 107 -4.760 7.542 16.532 861 HA VAL 107 HA VAL 107 -2.403 6.967 15.221 862 HB VAL 107 HB VAL 107 -4.698 6.472 13.518 863 1HG1 VAL 107 HG11 VAL 107 -4.019 7.700 11.548 864 2HG1 VAL 107 HG12 VAL 107 -2.690 8.448 12.432 865 3HG1 VAL 107 HG13 VAL 107 -4.358 8.832 12.856 866 1HG2 VAL 107 HG21 VAL 107 -2.356 5.295 13.942 867 2HG2 VAL 107 HG22 VAL 107 -1.912 6.259 12.533 868 3HG2 VAL 107 HG23 VAL 107 -3.244 5.109 12.430 869 H THR 108 HN THR 108 -1.344 8.849 14.539 870 HA THR 108 HA THR 108 -2.517 11.280 15.564 871 HB THR 108 HB THR 108 -0.001 11.631 14.144 872 HG1 THR 108 HG1 THR 108 0.352 9.464 14.712 873 1HG2 THR 108 HG21 THR 108 0.692 12.494 16.359 874 2HG2 THR 108 HG22 THR 108 -0.847 11.949 17.026 875 3HG2 THR 108 HG23 THR 108 -0.816 13.210 15.792 876 H ALA 109 HN ALA 109 -2.824 13.196 14.425 877 HA ALA 109 HA ALA 109 -3.726 12.861 11.706 878 1HB ALA 109 HB1 ALA 109 -3.676 15.323 13.451 879 2HB ALA 109 HB2 ALA 109 -5.026 14.200 13.289 880 3HB ALA 109 HB3 ALA 109 -4.513 15.165 11.906 881 H GLU 110 HN GLU 110 -0.855 13.626 13.203 882 HA GLU 110 HA GLU 110 0.203 15.654 11.533 883 1HB GLU 110 HB2 GLU 110 1.293 13.719 13.501 884 2HB GLU 110 HB1 GLU 110 2.431 14.388 12.339 885 1HG GLU 110 HG2 GLU 110 1.727 16.658 13.028 886 2HG GLU 110 HG1 GLU 110 0.704 15.928 14.262 887 H GLU 111 HN GLU 111 -0.286 12.269 11.083 888 HA GLU 111 HA GLU 111 1.646 12.023 8.950 889 1HB GLU 111 HB2 GLU 111 1.455 9.997 10.034 890 2HB GLU 111 HB1 GLU 111 -0.260 10.212 10.353 891 1HG GLU 111 HG2 GLU 111 -0.882 9.448 8.269 892 2HG GLU 111 HG1 GLU 111 0.694 9.792 7.558 893 H ALA 112 HN ALA 112 -1.894 11.918 9.239 894 HA ALA 112 HA ALA 112 -2.362 11.680 6.461 895 1HB ALA 112 HB1 ALA 112 -4.704 12.190 7.019 896 2HB ALA 112 HB2 ALA 112 -4.203 12.600 8.660 897 3HB ALA 112 HB3 ALA 112 -4.012 10.950 8.065 898 H LYS 113 HN LYS 113 -1.748 14.413 8.500 899 HA LYS 113 HA LYS 113 -2.838 16.312 6.595 900 1HB LYS 113 HB2 LYS 113 -1.547 16.554 9.292 901 2HB LYS 113 HB1 LYS 113 -1.779 17.970 8.277 902 1HG LYS 113 HG2 LYS 113 -4.233 17.235 8.154 903 2HG LYS 113 HG1 LYS 113 -3.842 16.201 9.529 904 1HD LYS 113 HD2 LYS 113 -3.231 18.076 10.866 905 2HD LYS 113 HD1 LYS 113 -3.295 19.162 9.477 906 1HE LYS 113 HE2 LYS 113 -5.300 19.605 10.541 907 2HE LYS 113 HE1 LYS 113 -5.774 18.416 9.327 908 1HZ LYS 113 HZ1 LYS 113 -5.234 17.872 12.196 909 2HZ LYS 113 HZ2 LYS 113 -5.608 16.694 11.042 910 3HZ LYS 113 HZ3 LYS 113 -6.750 17.874 11.444 911 H LYS 114 HN LYS 114 0.379 15.606 7.963 912 HA LYS 114 HA LYS 114 1.765 17.464 6.361 913 1HB LYS 114 HB2 LYS 114 2.410 15.931 8.503 914 2HB LYS 114 HB1 LYS 114 3.256 15.074 7.223 915 1HG LYS 114 HG2 LYS 114 3.548 18.029 7.414 916 2HG LYS 114 HG1 LYS 114 4.418 17.002 8.556 917 1HD LYS 114 HD2 LYS 114 5.328 15.740 6.597 918 2HD LYS 114 HD1 LYS 114 4.597 16.955 5.547 919 1HE LYS 114 HE2 LYS 114 6.965 17.422 5.953 920 2HE LYS 114 HE1 LYS 114 5.932 18.694 6.602 921 1HZ LYS 114 HZ1 LYS 114 6.926 16.469 8.282 922 2HZ LYS 114 HZ2 LYS 114 6.279 17.950 8.781 923 3HZ LYS 114 HZ3 LYS 114 7.811 17.895 8.066 924 H PHE 115 HN PHE 115 0.815 14.138 5.777 925 HA PHE 115 HA PHE 115 2.564 13.820 3.517 926 1HB PHE 115 HB2 PHE 115 0.443 12.175 4.815 927 2HB PHE 115 HB1 PHE 115 0.898 11.796 3.155 928 HD1 PHE 115 HD1 PHE 115 2.701 10.417 2.753 929 HD2 PHE 115 HD2 PHE 115 2.386 12.366 6.520 930 HE1 PHE 115 HE1 PHE 115 4.640 9.145 3.568 931 HE2 PHE 115 HE2 PHE 115 4.326 11.098 7.344 932 HZ PHE 115 HZ PHE 115 5.456 9.485 5.867 933 H LEU 116 HN LEU 116 -0.937 14.326 3.923 934 HA LEU 116 HA LEU 116 -1.230 14.676 1.045 935 1HB LEU 116 HB2 LEU 116 -3.144 14.454 3.342 936 2HB LEU 116 HB1 LEU 116 -3.685 15.107 1.807 937 HG LEU 116 HG LEU 116 -2.260 12.542 1.602 938 1HD1 LEU 116 HD11 LEU 116 -5.053 12.427 2.658 939 2HD1 LEU 116 HD12 LEU 116 -3.684 12.490 3.768 940 3HD1 LEU 116 HD13 LEU 116 -3.819 11.168 2.608 941 1HD2 LEU 116 HD21 LEU 116 -4.113 14.097 0.132 942 2HD2 LEU 116 HD22 LEU 116 -4.890 12.560 0.511 943 3HD2 LEU 116 HD23 LEU 116 -3.343 12.581 -0.335 944 H ALA 117 HN ALA 117 0.372 16.595 2.364 945 HA ALA 117 HA ALA 117 -1.246 18.982 2.685 946 1HB ALA 117 HB1 ALA 117 1.759 18.827 2.706 947 2HB ALA 117 HB2 ALA 117 0.768 18.436 4.111 948 3HB ALA 117 HB3 ALA 117 0.724 20.060 3.427 949 HA PRO 118 HA PRO 118 -0.826 20.433 -1.468 950 1HB PRO 118 HB2 PRO 118 -0.858 23.121 -1.095 951 2HB PRO 118 HB1 PRO 118 -2.299 22.111 -0.920 952 1HG PRO 118 HG2 PRO 118 -0.476 23.193 1.194 953 2HG PRO 118 HG1 PRO 118 -2.247 23.116 1.176 954 1HD PRO 118 HD2 PRO 118 -0.729 21.332 2.530 955 2HD PRO 118 HD1 PRO 118 -2.284 20.896 1.794 956 H LYS 119 HN LYS 119 0.441 22.321 -2.679 957 HA LYS 119 HA LYS 119 3.125 22.690 -1.621 958 1HB LYS 119 HB2 LYS 119 2.448 20.768 -3.729 959 2HB LYS 119 HB1 LYS 119 3.718 21.895 -4.185 960 1HG LYS 119 HG2 LYS 119 4.873 21.272 -2.028 961 2HG LYS 119 HG1 LYS 119 3.695 19.966 -1.884 962 1HD LYS 119 HD2 LYS 119 4.418 19.258 -4.214 963 2HD LYS 119 HD1 LYS 119 5.768 20.379 -4.025 964 1HE LYS 119 HE2 LYS 119 6.535 19.178 -2.070 965 2HE LYS 119 HE1 LYS 119 5.137 18.105 -2.148 966 1HZ LYS 119 HZ1 LYS 119 7.164 17.113 -3.080 967 2HZ LYS 119 HZ2 LYS 119 7.215 18.326 -4.258 968 3HZ LYS 119 HZ3 LYS 119 5.926 17.232 -4.227 969 H ASP 120 HN ASP 120 4.403 24.199 -2.898 970 HA ASP 120 HA ASP 120 2.676 26.115 -4.305 971 1HB ASP 120 HB2 ASP 120 5.094 26.387 -2.587 972 2HB ASP 120 HB1 ASP 120 4.870 27.568 -3.874 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -5.078 -21.293 -17.116 2 2H GLY 1 HT2 GLY 1 -3.667 -20.553 -16.548 3 3H GLY 1 HT3 GLY 1 -4.849 -19.630 -17.330 4 1HA GLY 1 HA1 GLY 1 -6.405 -19.994 -15.546 5 2HA GLY 1 HA2 GLY 1 -5.244 -21.043 -14.749 6 HA PRO 2 HA PRO 2 -3.475 -16.430 -14.629 7 1HB PRO 2 HB2 PRO 2 -6.120 -15.075 -14.746 8 2HB PRO 2 HB1 PRO 2 -4.566 -14.570 -15.418 9 1HG PRO 2 HG2 PRO 2 -6.482 -15.530 -16.998 10 2HG PRO 2 HG1 PRO 2 -4.778 -15.936 -17.280 11 1HD PRO 2 HD2 PRO 2 -6.947 -17.592 -16.063 12 2HD PRO 2 HD1 PRO 2 -5.621 -18.082 -17.137 13 H VAL 3 HN VAL 3 -3.219 -15.395 -12.664 14 HA VAL 3 HA VAL 3 -5.284 -15.803 -10.620 15 HB VAL 3 HB VAL 3 -3.646 -17.630 -10.371 16 1HG1 VAL 3 HG11 VAL 3 -1.605 -15.531 -9.688 17 2HG1 VAL 3 HG12 VAL 3 -1.726 -16.264 -11.287 18 3HG1 VAL 3 HG13 VAL 3 -1.365 -17.268 -9.882 19 1HG2 VAL 3 HG21 VAL 3 -3.272 -17.378 -8.014 20 2HG2 VAL 3 HG22 VAL 3 -4.824 -16.642 -8.415 21 3HG2 VAL 3 HG23 VAL 3 -3.411 -15.624 -8.133 22 H ASN 4 HN ASN 4 -5.329 -14.261 -8.984 23 HA ASN 4 HA ASN 4 -3.694 -11.873 -9.511 24 1HB ASN 4 HB2 ASN 4 -6.338 -11.924 -9.585 25 2HB ASN 4 HB1 ASN 4 -6.168 -11.762 -7.838 26 1HD2 ASN 4 HD21 ASN 4 -5.553 -9.845 -6.980 27 2HD2 ASN 4 HD22 ASN 4 -5.301 -8.410 -7.907 28 HA PRO 5 HA PRO 5 -1.663 -12.592 -5.621 29 1HB PRO 5 HB2 PRO 5 -1.058 -9.711 -5.625 30 2HB PRO 5 HB1 PRO 5 0.045 -11.089 -5.672 31 1HG PRO 5 HG2 PRO 5 -0.343 -9.520 -7.816 32 2HG PRO 5 HG1 PRO 5 -0.060 -11.267 -7.971 33 1HD PRO 5 HD2 PRO 5 -2.635 -9.741 -8.132 34 2HD PRO 5 HD1 PRO 5 -2.063 -11.097 -9.127 35 H ALA 6 HN ALA 6 -3.641 -9.659 -5.971 36 HA ALA 6 HA ALA 6 -4.028 -9.265 -3.188 37 1HB ALA 6 HB1 ALA 6 -6.186 -8.115 -4.608 38 2HB ALA 6 HB2 ALA 6 -4.740 -7.936 -5.602 39 3HB ALA 6 HB3 ALA 6 -4.758 -7.316 -3.951 40 H GLU 7 HN GLU 7 -5.980 -10.822 -5.706 41 HA GLU 7 HA GLU 7 -8.211 -11.378 -4.064 42 1HB GLU 7 HB2 GLU 7 -8.136 -11.407 -6.595 43 2HB GLU 7 HB1 GLU 7 -7.344 -12.972 -6.473 44 1HG GLU 7 HG2 GLU 7 -9.325 -13.779 -5.181 45 2HG GLU 7 HG1 GLU 7 -10.116 -12.251 -5.563 46 H ASN 8 HN ASN 8 -5.396 -13.332 -4.988 47 HA ASN 8 HA ASN 8 -6.174 -15.675 -3.626 48 1HB ASN 8 HB2 ASN 8 -4.274 -15.246 -5.391 49 2HB ASN 8 HB1 ASN 8 -3.285 -14.956 -3.963 50 1HD2 ASN 8 HD21 ASN 8 -2.624 -16.641 -2.746 51 2HD2 ASN 8 HD22 ASN 8 -2.962 -18.295 -3.114 52 H PHE 9 HN PHE 9 -4.492 -12.782 -2.602 53 HA PHE 9 HA PHE 9 -3.567 -13.801 -0.113 54 1HB PHE 9 HB2 PHE 9 -2.379 -11.925 -0.720 55 2HB PHE 9 HB1 PHE 9 -3.791 -11.110 -1.380 56 HD1 PHE 9 HD1 PHE 9 -2.307 -12.198 1.855 57 HD2 PHE 9 HD2 PHE 9 -4.790 -9.408 -0.183 58 HE1 PHE 9 HE1 PHE 9 -2.490 -10.863 3.914 59 HE2 PHE 9 HE2 PHE 9 -4.977 -8.067 1.872 60 HZ PHE 9 HZ PHE 9 -3.825 -8.794 3.923 61 H ARG 10 HN ARG 10 -6.327 -11.736 -0.997 62 HA ARG 10 HA ARG 10 -7.396 -11.447 1.569 63 1HB ARG 10 HB2 ARG 10 -8.599 -11.308 -1.181 64 2HB ARG 10 HB1 ARG 10 -9.595 -11.105 0.254 65 1HG ARG 10 HG2 ARG 10 -8.231 -9.213 0.950 66 2HG ARG 10 HG1 ARG 10 -7.201 -9.426 -0.468 67 1HD ARG 10 HD2 ARG 10 -8.741 -7.671 -0.952 68 2HD ARG 10 HD1 ARG 10 -9.228 -9.084 -1.890 69 HE ARG 10 HE ARG 10 -10.683 -9.226 0.429 70 1HH1 ARG 10 HH11 ARG 10 -10.288 -6.894 -2.129 71 2HH1 ARG 10 HH12 ARG 10 -11.892 -6.261 -1.974 72 1HH2 ARG 10 HH21 ARG 10 -12.797 -8.399 0.641 73 2HH2 ARG 10 HH22 ARG 10 -13.318 -7.115 -0.399 74 H VAL 11 HN VAL 11 -7.858 -13.975 -0.848 75 HA VAL 11 HA VAL 11 -9.966 -15.295 0.549 76 HB VAL 11 HB VAL 11 -8.109 -16.310 -1.607 77 1HG1 VAL 11 HG11 VAL 11 -10.001 -18.013 -1.904 78 2HG1 VAL 11 HG12 VAL 11 -10.479 -17.572 -0.266 79 3HG1 VAL 11 HG13 VAL 11 -8.881 -18.256 -0.564 80 1HG2 VAL 11 HG21 VAL 11 -11.004 -15.683 -1.981 81 2HG2 VAL 11 HG22 VAL 11 -9.693 -15.685 -3.160 82 3HG2 VAL 11 HG23 VAL 11 -9.821 -14.375 -1.987 83 H LEU 12 HN LEU 12 -6.467 -15.839 0.301 84 HA LEU 12 HA LEU 12 -6.330 -18.195 1.789 85 1HB LEU 12 HB2 LEU 12 -4.530 -16.813 0.428 86 2HB LEU 12 HB1 LEU 12 -4.145 -16.183 2.020 87 HG LEU 12 HG LEU 12 -4.294 -18.995 2.277 88 1HD1 LEU 12 HD11 LEU 12 -2.494 -18.189 0.001 89 2HD1 LEU 12 HD12 LEU 12 -4.038 -19.018 -0.201 90 3HD1 LEU 12 HD13 LEU 12 -2.722 -19.806 0.669 91 1HD2 LEU 12 HD21 LEU 12 -1.808 -17.310 2.101 92 2HD2 LEU 12 HD22 LEU 12 -2.062 -18.783 3.036 93 3HD2 LEU 12 HD23 LEU 12 -2.886 -17.293 3.497 94 H VAL 13 HN VAL 13 -6.610 -14.868 2.824 95 HA VAL 13 HA VAL 13 -6.137 -15.617 5.611 96 HB VAL 13 HB VAL 13 -6.359 -13.189 6.088 97 1HG1 VAL 13 HG11 VAL 13 -4.185 -14.326 5.552 98 2HG1 VAL 13 HG12 VAL 13 -4.215 -12.587 5.258 99 3HG1 VAL 13 HG13 VAL 13 -4.351 -13.711 3.907 100 1HG2 VAL 13 HG21 VAL 13 -6.095 -11.781 3.879 101 2HG2 VAL 13 HG22 VAL 13 -7.689 -12.212 4.500 102 3HG2 VAL 13 HG23 VAL 13 -6.979 -13.136 3.177 103 H LYS 14 HN LYS 14 -8.717 -15.403 3.480 104 HA LYS 14 HA LYS 14 -10.666 -14.582 5.481 105 1HB LYS 14 HB2 LYS 14 -10.620 -14.864 2.560 106 2HB LYS 14 HB1 LYS 14 -12.124 -15.389 3.305 107 1HG LYS 14 HG2 LYS 14 -12.215 -13.178 4.474 108 2HG LYS 14 HG1 LYS 14 -10.837 -12.676 3.492 109 1HD LYS 14 HD2 LYS 14 -12.262 -13.358 1.478 110 2HD LYS 14 HD1 LYS 14 -13.621 -13.377 2.603 111 1HE LYS 14 HE2 LYS 14 -13.355 -11.068 3.093 112 2HE LYS 14 HE1 LYS 14 -11.800 -11.004 2.265 113 1HZ LYS 14 HZ1 LYS 14 -13.625 -10.040 0.960 114 2HZ LYS 14 HZ2 LYS 14 -14.401 -11.542 0.935 115 3HZ LYS 14 HZ3 LYS 14 -12.902 -11.353 0.174 116 H GLN 15 HN GLN 15 -10.225 -17.397 3.334 117 HA GLN 15 HA GLN 15 -12.174 -19.025 4.451 118 1HB GLN 15 HB2 GLN 15 -11.014 -20.894 3.417 119 2HB GLN 15 HB1 GLN 15 -11.020 -19.510 2.331 120 1HG GLN 15 HG2 GLN 15 -8.709 -18.990 3.090 121 2HG GLN 15 HG1 GLN 15 -8.725 -20.496 4.006 122 1HE2 GLN 15 HE21 GLN 15 -9.241 -22.466 2.718 123 2HE2 GLN 15 HE22 GLN 15 -8.573 -22.576 1.128 124 H LYS 16 HN LYS 16 -8.989 -18.252 5.621 125 HA LYS 16 HA LYS 16 -9.451 -19.156 8.203 126 1HB LYS 16 HB2 LYS 16 -8.781 -21.302 8.313 127 2HB LYS 16 HB1 LYS 16 -8.994 -21.333 6.571 128 1HG LYS 16 HG2 LYS 16 -6.645 -20.852 6.241 129 2HG LYS 16 HG1 LYS 16 -6.408 -20.703 7.984 130 1HD LYS 16 HD2 LYS 16 -5.927 -22.879 8.008 131 2HD LYS 16 HD1 LYS 16 -7.626 -23.184 7.640 132 1HE LYS 16 HE2 LYS 16 -6.938 -24.148 5.756 133 2HE LYS 16 HE1 LYS 16 -6.494 -22.538 5.190 134 1HZ LYS 16 HZ1 LYS 16 -4.675 -24.294 6.743 135 2HZ LYS 16 HZ2 LYS 16 -4.281 -22.846 5.964 136 3HZ LYS 16 HZ3 LYS 16 -4.685 -24.212 5.053 137 H LYS 17 HN LYS 17 -8.005 -18.151 9.483 138 HA LYS 17 HA LYS 17 -6.106 -16.451 8.289 139 1HB LYS 17 HB2 LYS 17 -5.351 -16.132 10.741 140 2HB LYS 17 HB1 LYS 17 -6.979 -15.636 10.302 141 1HG LYS 17 HG2 LYS 17 -6.844 -18.401 11.193 142 2HG LYS 17 HG1 LYS 17 -6.291 -17.250 12.412 143 1HD LYS 17 HD2 LYS 17 -8.478 -15.960 11.662 144 2HD LYS 17 HD1 LYS 17 -8.981 -17.584 11.189 145 1HE LYS 17 HE2 LYS 17 -8.301 -18.312 13.525 146 2HE LYS 17 HE1 LYS 17 -8.200 -16.597 13.920 147 1HZ LYS 17 HZ1 LYS 17 -10.349 -17.525 14.518 148 2HZ LYS 17 HZ2 LYS 17 -10.621 -17.995 12.917 149 3HZ LYS 17 HZ3 LYS 17 -10.523 -16.353 13.308 150 H ALA 18 HN ALA 18 -4.642 -17.612 7.129 151 HA ALA 18 HA ALA 18 -3.287 -19.917 7.998 152 1HB ALA 18 HB1 ALA 18 -2.089 -19.793 6.039 153 2HB ALA 18 HB2 ALA 18 -2.011 -18.032 6.069 154 3HB ALA 18 HB3 ALA 18 -3.515 -18.841 5.625 155 H SER 19 HN SER 19 -2.150 -16.534 7.840 156 HA SER 19 HA SER 19 -0.786 -16.648 10.301 157 1HB SER 19 HB2 SER 19 0.654 -18.130 8.719 158 2HB SER 19 HB1 SER 19 1.157 -16.595 8.005 159 HG SER 19 HG SER 19 2.475 -16.414 9.615 160 H PHE 20 HN PHE 20 -1.265 -15.192 7.176 161 HA PHE 20 HA PHE 20 -1.588 -13.029 6.562 162 1HB PHE 20 HB2 PHE 20 -2.556 -12.712 8.861 163 2HB PHE 20 HB1 PHE 20 -0.955 -12.219 9.403 164 HD1 PHE 20 HD1 PHE 20 -0.139 -10.044 8.996 165 HD2 PHE 20 HD2 PHE 20 -3.753 -11.340 7.160 166 HE1 PHE 20 HE1 PHE 20 -0.608 -7.733 8.292 167 HE2 PHE 20 HE2 PHE 20 -4.227 -9.033 6.453 168 HZ PHE 20 HZ PHE 20 -2.654 -7.225 7.018 169 H GLU 21 HN GLU 21 1.071 -13.143 8.949 170 HA GLU 21 HA GLU 21 2.699 -11.222 7.831 171 1HB GLU 21 HB2 GLU 21 2.931 -12.719 9.994 172 2HB GLU 21 HB1 GLU 21 3.960 -13.687 8.947 173 1HG GLU 21 HG2 GLU 21 5.425 -11.831 8.568 174 2HG GLU 21 HG1 GLU 21 4.340 -10.744 9.434 175 H GLU 22 HN GLU 22 2.620 -14.701 7.085 176 HA GLU 22 HA GLU 22 4.720 -14.704 5.228 177 1HB GLU 22 HB2 GLU 22 2.434 -16.500 5.851 178 2HB GLU 22 HB1 GLU 22 3.239 -16.728 4.305 179 1HG GLU 22 HG2 GLU 22 5.406 -16.732 5.737 180 2HG GLU 22 HG1 GLU 22 4.305 -17.092 7.066 181 H ALA 23 HN ALA 23 1.214 -14.369 4.739 182 HA ALA 23 HA ALA 23 1.313 -14.150 1.928 183 1HB ALA 23 HB1 ALA 23 -0.709 -14.598 3.445 184 2HB ALA 23 HB2 ALA 23 -0.952 -13.586 2.022 185 3HB ALA 23 HB3 ALA 23 -0.797 -12.844 3.614 186 H SER 24 HN SER 24 1.651 -11.826 4.519 187 HA SER 24 HA SER 24 1.430 -9.476 2.967 188 1HB SER 24 HB2 SER 24 2.943 -9.925 5.555 189 2HB SER 24 HB1 SER 24 2.517 -8.355 4.875 190 HG SER 24 HG SER 24 0.305 -9.805 4.995 191 H ASN 25 HN ASN 25 4.280 -11.219 4.198 192 HA ASN 25 HA ASN 25 6.268 -9.715 3.021 193 1HB ASN 25 HB2 ASN 25 6.028 -12.446 4.057 194 2HB ASN 25 HB1 ASN 25 7.260 -12.277 2.810 195 1HD2 ASN 25 HD21 ASN 25 6.221 -11.251 5.973 196 2HD2 ASN 25 HD22 ASN 25 7.741 -10.599 6.477 197 H GLN 26 HN GLN 26 4.399 -12.378 1.628 198 HA GLN 26 HA GLN 26 5.770 -12.474 -0.843 199 1HB GLN 26 HB2 GLN 26 3.793 -13.962 0.359 200 2HB GLN 26 HB1 GLN 26 2.922 -13.169 -0.946 201 1HG GLN 26 HG2 GLN 26 4.231 -14.170 -2.592 202 2HG GLN 26 HG1 GLN 26 5.508 -14.592 -1.449 203 1HE2 GLN 26 HE21 GLN 26 2.833 -15.693 -3.121 204 2HE2 GLN 26 HE22 GLN 26 2.576 -17.172 -2.265 205 H LEU 27 HN LEU 27 2.834 -10.794 0.205 206 HA LEU 27 HA LEU 27 2.084 -9.650 -2.208 207 1HB LEU 27 HB2 LEU 27 1.260 -9.491 0.439 208 2HB LEU 27 HB1 LEU 27 1.727 -7.844 0.049 209 HG LEU 27 HG LEU 27 -0.658 -8.202 -0.325 210 1HD1 LEU 27 HD11 LEU 27 -0.598 -6.769 -2.019 211 2HD1 LEU 27 HD12 LEU 27 0.056 -7.986 -3.115 212 3HD1 LEU 27 HD13 LEU 27 1.143 -7.044 -2.092 213 1HD2 LEU 27 HD21 LEU 27 -1.524 -9.750 -1.887 214 2HD2 LEU 27 HD22 LEU 27 -0.388 -10.652 -0.883 215 3HD2 LEU 27 HD23 LEU 27 0.082 -10.139 -2.504 216 H ILE 28 HN ILE 28 4.357 -8.446 0.244 217 HA ILE 28 HA ILE 28 4.914 -5.993 -1.044 218 HB ILE 28 HB ILE 28 6.378 -7.602 1.028 219 1HG1 ILE 28 HG12 ILE 28 5.837 -4.929 1.804 220 2HG1 ILE 28 HG11 ILE 28 4.387 -5.539 1.007 221 1HG2 ILE 28 HG21 ILE 28 7.823 -5.459 1.216 222 2HG2 ILE 28 HG22 ILE 28 7.358 -5.203 -0.465 223 3HG2 ILE 28 HG23 ILE 28 8.228 -6.667 -0.004 224 1HD1 ILE 28 HD11 ILE 28 3.844 -6.707 2.800 225 2HD1 ILE 28 HD12 ILE 28 5.210 -5.973 3.641 226 3HD1 ILE 28 HD13 ILE 28 5.413 -7.514 2.806 227 H ASN 29 HN ASN 29 6.487 -9.166 -1.149 228 HA ASN 29 HA ASN 29 8.679 -8.470 -2.742 229 1HB ASN 29 HB2 ASN 29 7.890 -10.752 -1.525 230 2HB ASN 29 HB1 ASN 29 7.478 -11.142 -3.192 231 1HD2 ASN 29 HD21 ASN 29 10.114 -9.883 -1.200 232 2HD2 ASN 29 HD22 ASN 29 11.388 -10.599 -2.122 233 H HIS 30 HN HIS 30 5.423 -9.539 -3.614 234 HA HIS 30 HA HIS 30 5.803 -9.699 -6.388 235 1HB HIS 30 HB2 HIS 30 3.476 -9.492 -4.561 236 2HB HIS 30 HB1 HIS 30 3.196 -9.011 -6.234 237 HD1 HIS 30 HD1 HIS 30 4.838 -11.978 -4.486 238 HD2 HIS 30 HD2 HIS 30 2.380 -11.103 -7.720 239 HE1 HIS 30 HE1 HIS 30 4.272 -14.199 -5.521 240 HE2 HIS 30 HE2 HIS 30 2.849 -13.639 -7.523 241 H ILE 31 HN ILE 31 4.551 -7.046 -4.378 242 HA ILE 31 HA ILE 31 4.152 -5.174 -6.404 243 HB ILE 31 HB ILE 31 4.974 -4.693 -3.535 244 1HG1 ILE 31 HG12 ILE 31 2.239 -4.457 -4.798 245 2HG1 ILE 31 HG11 ILE 31 2.803 -5.921 -3.998 246 1HG2 ILE 31 HG21 ILE 31 3.942 -2.780 -5.620 247 2HG2 ILE 31 HG22 ILE 31 5.496 -2.723 -4.789 248 3HG2 ILE 31 HG23 ILE 31 4.006 -2.422 -3.895 249 1HD1 ILE 31 HD11 ILE 31 3.296 -4.043 -2.098 250 2HD1 ILE 31 HD12 ILE 31 1.841 -5.035 -2.190 251 3HD1 ILE 31 HD13 ILE 31 1.841 -3.406 -2.866 252 H GLU 32 HN GLU 32 7.027 -5.688 -4.368 253 HA GLU 32 HA GLU 32 8.651 -3.709 -5.445 254 1HB GLU 32 HB2 GLU 32 9.299 -6.386 -4.222 255 2HB GLU 32 HB1 GLU 32 10.555 -5.269 -4.740 256 1HG GLU 32 HG2 GLU 32 9.479 -3.554 -3.237 257 2HG GLU 32 HG1 GLU 32 8.495 -4.869 -2.591 258 H GLN 33 HN GLN 33 7.965 -6.957 -6.601 259 HA GLN 33 HA GLN 33 9.955 -7.027 -8.617 260 1HB GLN 33 HB2 GLN 33 7.495 -8.586 -7.988 261 2HB GLN 33 HB1 GLN 33 8.150 -8.719 -9.614 262 1HG GLN 33 HG2 GLN 33 10.334 -9.350 -8.619 263 2HG GLN 33 HG1 GLN 33 9.561 -9.355 -7.034 264 1HE2 GLN 33 HE21 GLN 33 8.209 -11.018 -6.478 265 2HE2 GLN 33 HE22 GLN 33 8.035 -12.454 -7.423 266 H PHE 34 HN PHE 34 6.504 -6.207 -8.665 267 HA PHE 34 HA PHE 34 6.283 -5.634 -11.391 268 1HB PHE 34 HB2 PHE 34 4.755 -4.838 -8.949 269 2HB PHE 34 HB1 PHE 34 4.417 -4.002 -10.461 270 HD1 PHE 34 HD1 PHE 34 3.762 -6.884 -8.491 271 HD2 PHE 34 HD2 PHE 34 3.844 -5.448 -12.496 272 HE1 PHE 34 HE1 PHE 34 2.295 -8.734 -9.180 273 HE2 PHE 34 HE2 PHE 34 2.375 -7.296 -13.192 274 HZ PHE 34 HZ PHE 34 1.599 -8.941 -11.534 275 H LEU 35 HN LEU 35 7.724 -3.847 -8.817 276 HA LEU 35 HA LEU 35 7.607 -1.248 -9.884 277 1HB LEU 35 HB2 LEU 35 8.969 -2.597 -7.731 278 2HB LEU 35 HB1 LEU 35 10.059 -1.479 -8.535 279 HG LEU 35 HG LEU 35 7.333 -0.609 -7.616 280 1HD1 LEU 35 HD11 LEU 35 8.108 -0.058 -5.499 281 2HD1 LEU 35 HD12 LEU 35 9.801 -0.218 -5.967 282 3HD1 LEU 35 HD13 LEU 35 8.799 -1.658 -5.774 283 1HD2 LEU 35 HD21 LEU 35 9.854 1.001 -7.864 284 2HD2 LEU 35 HD22 LEU 35 8.185 1.566 -7.802 285 3HD2 LEU 35 HD23 LEU 35 8.779 0.730 -9.236 286 H ASP 36 HN ASP 36 10.153 -3.721 -10.134 287 HA ASP 36 HA ASP 36 11.969 -2.376 -11.704 288 1HB ASP 36 HB2 ASP 36 12.291 -4.644 -10.709 289 2HB ASP 36 HB1 ASP 36 11.268 -5.305 -11.982 290 H THR 37 HN THR 37 8.827 -3.399 -12.560 291 HA THR 37 HA THR 37 9.374 -3.253 -15.426 292 HB THR 37 HB THR 37 6.589 -3.613 -14.890 293 HG1 THR 37 HG1 THR 37 6.668 -5.465 -13.602 294 1HG2 THR 37 HG21 THR 37 6.802 -5.299 -16.409 295 2HG2 THR 37 HG22 THR 37 8.301 -5.898 -15.698 296 3HG2 THR 37 HG23 THR 37 8.325 -4.468 -16.730 297 H ASN 38 HN ASN 38 9.597 -1.159 -15.951 298 HA ASN 38 HA ASN 38 7.948 0.914 -14.855 299 1HB ASN 38 HB2 ASN 38 10.035 0.851 -17.029 300 2HB ASN 38 HB1 ASN 38 9.118 2.310 -16.655 301 1HD2 ASN 38 HD21 ASN 38 9.833 3.582 -15.089 302 2HD2 ASN 38 HD22 ASN 38 11.068 3.177 -13.951 303 H GLU 39 HN GLU 39 6.247 -0.948 -15.936 304 HA GLU 39 HA GLU 39 5.350 0.207 -18.479 305 1HB GLU 39 HB2 GLU 39 4.813 -2.415 -17.109 306 2HB GLU 39 HB1 GLU 39 3.770 -1.837 -18.401 307 1HG GLU 39 HG2 GLU 39 6.740 -2.247 -18.656 308 2HG GLU 39 HG1 GLU 39 5.514 -3.410 -19.159 309 H THR 40 HN THR 40 3.255 0.966 -18.752 310 HA THR 40 HA THR 40 2.121 2.319 -16.571 311 HB THR 40 HB THR 40 0.608 1.683 -19.095 312 HG1 THR 40 HG1 THR 40 1.681 3.520 -19.986 313 1HG2 THR 40 HG21 THR 40 0.640 4.067 -17.242 314 2HG2 THR 40 HG22 THR 40 -0.637 2.858 -17.366 315 3HG2 THR 40 HG23 THR 40 -0.311 3.940 -18.720 316 HA PRO 41 HA PRO 41 -1.380 -1.007 -16.588 317 1HB PRO 41 HB2 PRO 41 -0.898 -3.382 -17.786 318 2HB PRO 41 HB1 PRO 41 -1.587 -2.002 -18.652 319 1HG PRO 41 HG2 PRO 41 1.243 -2.980 -18.593 320 2HG PRO 41 HG1 PRO 41 0.277 -2.434 -19.976 321 1HD PRO 41 HD2 PRO 41 2.103 -0.851 -18.746 322 2HD PRO 41 HD1 PRO 41 0.633 -0.208 -19.507 323 H TYR 42 HN TYR 42 1.975 -1.796 -16.252 324 HA TYR 42 HA TYR 42 1.568 -4.002 -14.452 325 1HB TYR 42 HB2 TYR 42 3.914 -2.526 -15.533 326 2HB TYR 42 HB1 TYR 42 4.131 -3.401 -14.021 327 HD1 TYR 42 HD1 TYR 42 2.732 -3.929 -17.449 328 HD2 TYR 42 HD2 TYR 42 4.788 -5.613 -14.128 329 HE1 TYR 42 HE1 TYR 42 3.043 -6.016 -18.709 330 HE2 TYR 42 HE2 TYR 42 5.107 -7.706 -15.378 331 HH TYR 42 HH TYR 42 5.039 -8.077 -18.392 332 H PHE 43 HN PHE 43 2.395 -0.576 -14.139 333 HA PHE 43 HA PHE 43 2.852 -0.615 -11.350 334 1HB PHE 43 HB2 PHE 43 2.395 1.482 -13.405 335 2HB PHE 43 HB1 PHE 43 2.110 1.935 -11.725 336 HD1 PHE 43 HD1 PHE 43 4.047 1.130 -10.076 337 HD2 PHE 43 HD2 PHE 43 4.494 1.830 -14.250 338 HE1 PHE 43 HE1 PHE 43 6.464 1.465 -9.757 339 HE2 PHE 43 HE2 PHE 43 6.911 2.165 -13.939 340 HZ PHE 43 HZ PHE 43 7.900 1.982 -11.690 341 H MET 44 HN MET 44 0.003 -0.825 -13.193 342 HA MET 44 HA MET 44 -1.792 0.322 -11.279 343 1HB MET 44 HB2 MET 44 -2.194 -1.435 -13.696 344 2HB MET 44 HB1 MET 44 -3.529 -0.932 -12.669 345 1HG MET 44 HG2 MET 44 -3.137 1.372 -13.176 346 2HG MET 44 HG1 MET 44 -1.656 0.974 -14.047 347 1HE MET 44 HE1 MET 44 -4.408 2.247 -16.671 348 2HE MET 44 HE2 MET 44 -2.735 2.507 -16.178 349 3HE MET 44 HE3 MET 44 -4.045 2.778 -15.029 350 H LYS 45 HN LYS 45 -0.336 -2.778 -11.795 351 HA LYS 45 HA LYS 45 -2.155 -4.290 -10.200 352 1HB LYS 45 HB2 LYS 45 -0.487 -5.122 -11.996 353 2HB LYS 45 HB1 LYS 45 0.705 -5.068 -10.701 354 1HG LYS 45 HG2 LYS 45 0.041 -7.052 -9.995 355 2HG LYS 45 HG1 LYS 45 -1.589 -6.427 -9.729 356 1HD LYS 45 HD2 LYS 45 -1.941 -6.784 -12.237 357 2HD LYS 45 HD1 LYS 45 -0.465 -7.751 -12.182 358 1HE LYS 45 HE2 LYS 45 -1.639 -8.974 -10.222 359 2HE LYS 45 HE1 LYS 45 -3.111 -8.258 -10.877 360 1HZ LYS 45 HZ1 LYS 45 -1.229 -10.032 -12.337 361 2HZ LYS 45 HZ2 LYS 45 -2.598 -9.305 -13.013 362 3HZ LYS 45 HZ3 LYS 45 -2.771 -10.451 -11.781 363 H SER 46 HN SER 46 0.795 -2.487 -9.576 364 HA SER 46 HA SER 46 1.291 -3.528 -6.987 365 1HB SER 46 HB2 SER 46 2.316 -0.946 -6.978 366 2HB SER 46 HB1 SER 46 3.181 -2.402 -7.476 367 HG SER 46 HG SER 46 2.796 -1.937 -9.562 368 H ILE 47 HN ILE 47 -0.265 -0.525 -8.101 369 HA ILE 47 HA ILE 47 -1.047 0.427 -5.594 370 HB ILE 47 HB ILE 47 -2.635 0.794 -8.133 371 1HG1 ILE 47 HG12 ILE 47 -0.440 2.640 -7.240 372 2HG1 ILE 47 HG11 ILE 47 -0.073 1.236 -8.239 373 1HG2 ILE 47 HG21 ILE 47 -3.742 1.611 -6.147 374 2HG2 ILE 47 HG22 ILE 47 -3.187 2.974 -7.117 375 3HG2 ILE 47 HG23 ILE 47 -2.296 2.500 -5.671 376 1HD1 ILE 47 HD11 ILE 47 -1.681 3.659 -8.911 377 2HD1 ILE 47 HD12 ILE 47 -1.893 2.154 -9.805 378 3HD1 ILE 47 HD13 ILE 47 -0.317 2.946 -9.772 379 H ASP 48 HN ASP 48 -2.681 -1.748 -7.862 380 HA ASP 48 HA ASP 48 -5.095 -2.012 -6.457 381 1HB ASP 48 HB2 ASP 48 -4.157 -2.973 -8.821 382 2HB ASP 48 HB1 ASP 48 -4.098 -4.432 -7.834 383 H CYS 49 HN CYS 49 -1.946 -3.340 -5.946 384 HA CYS 49 HA CYS 49 -2.817 -5.395 -4.122 385 1HB CYS 49 HB2 CYS 49 -0.206 -4.436 -5.187 386 2HB CYS 49 HB1 CYS 49 -0.191 -5.282 -3.642 387 HG CYS 49 HG CYS 49 -1.718 -6.666 -6.358 388 H ILE 50 HN ILE 50 -1.212 -2.221 -3.876 389 HA ILE 50 HA ILE 50 -0.953 -2.240 -1.070 390 HB ILE 50 HB ILE 50 0.170 -0.686 -2.809 391 1HG1 ILE 50 HG12 ILE 50 -0.860 0.633 -0.290 392 2HG1 ILE 50 HG11 ILE 50 0.390 -0.612 -0.289 393 1HG2 ILE 50 HG21 ILE 50 -0.948 1.012 -3.723 394 2HG2 ILE 50 HG22 ILE 50 -1.734 1.430 -2.200 395 3HG2 ILE 50 HG23 ILE 50 -2.408 0.162 -3.222 396 1HD1 ILE 50 HD11 ILE 50 1.166 1.789 -0.198 397 2HD1 ILE 50 HD12 ILE 50 0.647 1.917 -1.879 398 3HD1 ILE 50 HD13 ILE 50 1.907 0.768 -1.429 399 H ARG 51 HN ARG 51 -3.598 -1.501 -3.195 400 HA ARG 51 HA ARG 51 -5.152 -0.100 -1.218 401 1HB ARG 51 HB2 ARG 51 -5.742 -1.160 -3.974 402 2HB ARG 51 HB1 ARG 51 -7.005 -0.478 -2.960 403 1HG ARG 51 HG2 ARG 51 -4.882 1.365 -2.932 404 2HG ARG 51 HG1 ARG 51 -5.094 0.857 -4.609 405 1HD ARG 51 HD2 ARG 51 -7.149 2.058 -2.765 406 2HD ARG 51 HD1 ARG 51 -6.504 2.741 -4.257 407 HE ARG 51 HE ARG 51 -7.744 0.259 -4.783 408 1HH1 ARG 51 HH11 ARG 51 -8.496 3.566 -3.980 409 2HH1 ARG 51 HH12 ARG 51 -10.047 3.535 -4.751 410 1HH2 ARG 51 HH21 ARG 51 -9.783 0.211 -5.800 411 2HH2 ARG 51 HH22 ARG 51 -10.778 1.628 -5.785 412 H ALA 52 HN ALA 52 -4.804 -3.378 -2.342 413 HA ALA 52 HA ALA 52 -7.186 -4.350 -1.050 414 1HB ALA 52 HB1 ALA 52 -6.194 -6.603 -1.595 415 2HB ALA 52 HB2 ALA 52 -4.850 -5.741 -2.344 416 3HB ALA 52 HB3 ALA 52 -6.484 -5.546 -2.977 417 H PHE 53 HN PHE 53 -3.742 -4.213 -0.357 418 HA PHE 53 HA PHE 53 -3.917 -5.761 2.049 419 1HB PHE 53 HB2 PHE 53 -1.846 -5.470 0.603 420 2HB PHE 53 HB1 PHE 53 -1.702 -3.853 1.293 421 HD1 PHE 53 HD1 PHE 53 -1.562 -7.454 2.021 422 HD2 PHE 53 HD2 PHE 53 -0.919 -3.522 3.518 423 HE1 PHE 53 HE1 PHE 53 -0.345 -8.389 3.944 424 HE2 PHE 53 HE2 PHE 53 0.301 -4.450 5.442 425 HZ PHE 53 HZ PHE 53 0.589 -6.886 5.657 426 H ARG 54 HN ARG 54 -3.527 -2.304 1.329 427 HA ARG 54 HA ARG 54 -3.382 -1.254 3.852 428 1HB ARG 54 HB2 ARG 54 -3.250 0.023 1.714 429 2HB ARG 54 HB1 ARG 54 -5.000 -0.081 1.587 430 1HG ARG 54 HG2 ARG 54 -3.916 1.036 4.099 431 2HG ARG 54 HG1 ARG 54 -3.733 2.012 2.639 432 1HD ARG 54 HD2 ARG 54 -6.393 0.828 2.986 433 2HD ARG 54 HD1 ARG 54 -5.941 1.992 4.234 434 HE ARG 54 HE ARG 54 -5.597 2.781 1.445 435 1HH1 ARG 54 HH11 ARG 54 -7.413 3.013 4.410 436 2HH1 ARG 54 HH12 ARG 54 -8.233 4.466 3.945 437 1HH2 ARG 54 HH21 ARG 54 -6.670 4.696 0.825 438 2HH2 ARG 54 HH22 ARG 54 -7.811 5.423 1.907 439 H GLU 55 HN GLU 55 -6.340 -2.097 2.075 440 HA GLU 55 HA GLU 55 -8.132 -1.220 4.082 441 1HB GLU 55 HB2 GLU 55 -8.331 -2.887 1.626 442 2HB GLU 55 HB1 GLU 55 -9.642 -2.993 2.793 443 1HG GLU 55 HG2 GLU 55 -10.004 -0.600 2.642 444 2HG GLU 55 HG1 GLU 55 -8.647 -0.452 1.525 445 H GLU 56 HN GLU 56 -6.859 -4.445 3.292 446 HA GLU 56 HA GLU 56 -8.314 -5.869 5.223 447 1HB GLU 56 HB2 GLU 56 -5.735 -6.396 3.776 448 2HB GLU 56 HB1 GLU 56 -6.323 -7.512 5.005 449 1HG GLU 56 HG2 GLU 56 -8.407 -6.839 3.130 450 2HG GLU 56 HG1 GLU 56 -6.984 -7.472 2.305 451 H ALA 57 HN ALA 57 -5.362 -3.999 5.468 452 HA ALA 57 HA ALA 57 -4.694 -5.050 8.074 453 1HB ALA 57 HB1 ALA 57 -3.036 -4.260 6.304 454 2HB ALA 57 HB2 ALA 57 -2.756 -3.740 7.966 455 3HB ALA 57 HB3 ALA 57 -3.470 -2.624 6.802 456 H ILE 58 HN ILE 58 -5.658 -1.857 6.799 457 HA ILE 58 HA ILE 58 -5.863 -0.569 9.265 458 HB ILE 58 HB ILE 58 -7.258 1.095 8.180 459 1HG1 ILE 58 HG12 ILE 58 -7.438 0.311 5.516 460 2HG1 ILE 58 HG11 ILE 58 -7.898 -1.133 6.415 461 1HG2 ILE 58 HG21 ILE 58 -5.759 1.452 6.103 462 2HG2 ILE 58 HG22 ILE 58 -4.896 0.031 6.691 463 3HG2 ILE 58 HG23 ILE 58 -5.026 1.465 7.707 464 1HD1 ILE 58 HD11 ILE 58 -9.605 0.144 7.595 465 2HD1 ILE 58 HD12 ILE 58 -9.834 0.218 5.848 466 3HD1 ILE 58 HD13 ILE 58 -9.139 1.593 6.705 467 H LYS 59 HN LYS 59 -8.322 -2.347 7.418 468 HA LYS 59 HA LYS 59 -10.538 -1.884 8.948 469 1HB LYS 59 HB2 LYS 59 -9.611 -4.249 7.376 470 2HB LYS 59 HB1 LYS 59 -11.046 -4.414 8.379 471 1HG LYS 59 HG2 LYS 59 -12.041 -2.477 7.210 472 2HG LYS 59 HG1 LYS 59 -10.628 -2.435 6.151 473 1HD LYS 59 HD2 LYS 59 -11.221 -4.366 5.060 474 2HD LYS 59 HD1 LYS 59 -12.119 -4.997 6.442 475 1HE LYS 59 HE2 LYS 59 -13.844 -3.251 6.041 476 2HE LYS 59 HE1 LYS 59 -12.973 -2.785 4.581 477 1HZ LYS 59 HZ1 LYS 59 -14.739 -4.260 3.993 478 2HZ LYS 59 HZ2 LYS 59 -14.242 -5.411 5.129 479 3HZ LYS 59 HZ3 LYS 59 -13.278 -5.087 3.778 480 H PHE 60 HN PHE 60 -8.143 -4.495 9.494 481 HA PHE 60 HA PHE 60 -8.138 -4.169 12.279 482 1HB PHE 60 HB2 PHE 60 -9.319 -6.255 12.967 483 2HB PHE 60 HB1 PHE 60 -10.388 -5.021 12.310 484 HD1 PHE 60 HD1 PHE 60 -11.127 -5.275 9.879 485 HD2 PHE 60 HD2 PHE 60 -9.314 -8.413 12.106 486 HE1 PHE 60 HE1 PHE 60 -12.051 -6.921 8.303 487 HE2 PHE 60 HE2 PHE 60 -10.232 -10.065 10.532 488 HZ PHE 60 HZ PHE 60 -11.602 -9.320 8.627 489 H SER 61 HN SER 61 -5.927 -4.357 11.891 490 HA SER 61 HA SER 61 -4.863 -6.933 12.227 491 1HB SER 61 HB2 SER 61 -5.499 -6.871 9.715 492 2HB SER 61 HB1 SER 61 -4.086 -5.831 9.546 493 HG SER 61 HG SER 61 -4.126 -8.459 10.620 494 H GLU 62 HN GLU 62 -3.106 -4.797 10.137 495 HA GLU 62 HA GLU 62 -1.653 -3.709 12.440 496 1HB GLU 62 HB2 GLU 62 -0.502 -5.266 10.141 497 2HB GLU 62 HB1 GLU 62 0.474 -4.093 11.019 498 1HG GLU 62 HG2 GLU 62 0.072 -5.312 13.097 499 2HG GLU 62 HG1 GLU 62 -0.900 -6.491 12.213 500 H GLU 63 HN GLU 63 -3.249 -2.001 11.527 501 HA GLU 63 HA GLU 63 -2.815 -0.645 9.163 502 1HB GLU 63 HB2 GLU 63 -3.704 1.368 10.354 503 2HB GLU 63 HB1 GLU 63 -4.688 -0.077 10.542 504 1HG GLU 63 HG2 GLU 63 -3.580 -0.451 12.746 505 2HG GLU 63 HG1 GLU 63 -2.806 1.124 12.554 506 H GLN 64 HN GLN 64 -0.966 -0.487 12.144 507 HA GLN 64 HA GLN 64 0.549 1.835 11.510 508 1HB GLN 64 HB2 GLN 64 1.224 -0.476 13.340 509 2HB GLN 64 HB1 GLN 64 2.060 1.071 13.304 510 1HG GLN 64 HG2 GLN 64 0.029 2.205 14.006 511 2HG GLN 64 HG1 GLN 64 -0.843 0.672 13.997 512 1HE2 GLN 64 HE21 GLN 64 -0.706 -0.651 15.722 513 2HE2 GLN 64 HE22 GLN 64 0.210 -0.307 17.146 514 H ARG 65 HN ARG 65 0.643 -1.363 10.369 515 HA ARG 65 HA ARG 65 3.427 -1.452 9.672 516 1HB ARG 65 HB2 ARG 65 2.302 -3.549 9.993 517 2HB ARG 65 HB1 ARG 65 1.048 -3.120 8.839 518 1HG ARG 65 HG2 ARG 65 2.734 -3.153 7.042 519 2HG ARG 65 HG1 ARG 65 3.938 -3.685 8.218 520 1HD ARG 65 HD2 ARG 65 2.020 -5.505 8.680 521 2HD ARG 65 HD1 ARG 65 1.699 -5.167 6.978 522 HE ARG 65 HE ARG 65 4.146 -5.699 6.654 523 1HH1 ARG 65 HH11 ARG 65 2.266 -7.071 9.247 524 2HH1 ARG 65 HH12 ARG 65 3.240 -8.498 9.370 525 1HH2 ARG 65 HH21 ARG 65 5.434 -7.574 6.809 526 2HH2 ARG 65 HH22 ARG 65 5.040 -8.783 7.985 527 H PHE 66 HN PHE 66 0.651 0.031 8.442 528 HA PHE 66 HA PHE 66 1.589 0.154 5.693 529 1HB PHE 66 HB2 PHE 66 -0.893 -0.021 6.443 530 2HB PHE 66 HB1 PHE 66 -0.751 1.707 6.774 531 HD1 PHE 66 HD1 PHE 66 -0.967 3.266 5.059 532 HD2 PHE 66 HD2 PHE 66 -0.350 -0.831 4.099 533 HE1 PHE 66 HE1 PHE 66 -1.390 3.762 2.688 534 HE2 PHE 66 HE2 PHE 66 -0.767 -0.344 1.726 535 HZ PHE 66 HZ PHE 66 -1.288 1.956 1.017 536 H ASN 67 HN ASN 67 0.935 2.367 8.405 537 HA ASN 67 HA ASN 67 2.008 4.660 7.114 538 1HB ASN 67 HB2 ASN 67 2.306 5.334 9.685 539 2HB ASN 67 HB1 ASN 67 0.734 5.353 8.898 540 1HD2 ASN 67 HD21 ASN 67 -0.744 3.735 9.383 541 2HD2 ASN 67 HD22 ASN 67 -0.576 2.739 10.784 542 H ASN 68 HN ASN 68 3.308 1.909 8.548 543 HA ASN 68 HA ASN 68 5.870 2.961 9.310 544 1HB ASN 68 HB2 ASN 68 5.048 0.870 10.293 545 2HB ASN 68 HB1 ASN 68 5.026 0.113 8.703 546 1HD2 ASN 68 HD21 ASN 68 6.838 -0.785 7.927 547 2HD2 ASN 68 HD22 ASN 68 8.365 -0.769 8.734 548 H PHE 69 HN PHE 69 4.853 0.821 6.658 549 HA PHE 69 HA PHE 69 7.209 1.173 5.140 550 1HB PHE 69 HB2 PHE 69 5.309 -0.646 5.012 551 2HB PHE 69 HB1 PHE 69 4.612 0.463 3.832 552 HD1 PHE 69 HD1 PHE 69 5.520 0.671 1.656 553 HD2 PHE 69 HD2 PHE 69 7.533 -1.650 4.600 554 HE1 PHE 69 HE1 PHE 69 6.987 -0.259 -0.086 555 HE2 PHE 69 HE2 PHE 69 9.005 -2.583 2.864 556 HZ PHE 69 HZ PHE 69 8.734 -1.888 0.517 557 H LEU 70 HN LEU 70 4.334 3.053 5.460 558 HA LEU 70 HA LEU 70 4.430 4.439 2.990 559 1HB LEU 70 HB2 LEU 70 3.102 4.861 5.620 560 2HB LEU 70 HB1 LEU 70 3.232 6.243 4.548 561 HG LEU 70 HG LEU 70 1.743 3.667 4.072 562 1HD1 LEU 70 HD11 LEU 70 -0.179 4.990 4.070 563 2HD1 LEU 70 HD12 LEU 70 0.737 6.481 3.845 564 3HD1 LEU 70 HD13 LEU 70 0.788 5.640 5.394 565 1HD2 LEU 70 HD21 LEU 70 2.855 4.165 1.995 566 2HD2 LEU 70 HD22 LEU 70 2.375 5.859 2.099 567 3HD2 LEU 70 HD23 LEU 70 1.154 4.611 1.855 568 H LYS 71 HN LYS 71 5.520 5.339 6.254 569 HA LYS 71 HA LYS 71 6.676 7.785 5.599 570 1HB LYS 71 HB2 LYS 71 7.088 5.801 7.796 571 2HB LYS 71 HB1 LYS 71 8.229 7.128 7.633 572 1HG LYS 71 HG2 LYS 71 6.421 8.737 7.844 573 2HG LYS 71 HG1 LYS 71 5.248 7.420 7.951 574 1HD LYS 71 HD2 LYS 71 6.380 6.622 9.994 575 2HD LYS 71 HD1 LYS 71 7.482 7.997 9.898 576 1HE LYS 71 HE2 LYS 71 5.965 8.923 11.297 577 2HE LYS 71 HE1 LYS 71 5.148 9.301 9.781 578 1HZ LYS 71 HZ1 LYS 71 3.850 7.251 10.051 579 2HZ LYS 71 HZ2 LYS 71 3.601 8.334 11.325 580 3HZ LYS 71 HZ3 LYS 71 4.590 6.981 11.550 581 H ALA 72 HN ALA 72 8.060 4.520 5.560 582 HA ALA 72 HA ALA 72 10.694 5.370 4.870 583 1HB ALA 72 HB1 ALA 72 9.388 2.673 4.523 584 2HB ALA 72 HB2 ALA 72 10.280 3.221 5.942 585 3HB ALA 72 HB3 ALA 72 11.116 3.006 4.405 586 H LEU 73 HN LEU 73 7.984 4.080 2.988 587 HA LEU 73 HA LEU 73 9.246 4.006 0.496 588 1HB LEU 73 HB2 LEU 73 7.195 2.869 0.696 589 2HB LEU 73 HB1 LEU 73 6.376 4.282 1.339 590 HG LEU 73 HG LEU 73 6.773 5.325 -0.988 591 1HD1 LEU 73 HD11 LEU 73 8.380 3.626 -1.750 592 2HD1 LEU 73 HD12 LEU 73 6.981 3.751 -2.817 593 3HD1 LEU 73 HD13 LEU 73 7.106 2.409 -1.678 594 1HD2 LEU 73 HD21 LEU 73 4.565 4.942 -0.573 595 2HD2 LEU 73 HD22 LEU 73 4.815 3.237 -0.197 596 3HD2 LEU 73 HD23 LEU 73 4.819 3.779 -1.874 597 H GLN 74 HN GLN 74 7.028 6.493 1.762 598 HA GLN 74 HA GLN 74 7.173 8.321 -0.266 599 1HB GLN 74 HB2 GLN 74 5.627 8.672 1.501 600 2HB GLN 74 HB1 GLN 74 6.906 8.728 2.706 601 1HG GLN 74 HG2 GLN 74 6.504 10.943 2.534 602 2HG GLN 74 HG1 GLN 74 7.680 10.795 1.230 603 1HE2 GLN 74 HE21 GLN 74 6.270 9.741 -0.792 604 2HE2 GLN 74 HE22 GLN 74 4.994 10.803 -1.268 605 H GLU 75 HN GLU 75 9.234 8.408 2.663 606 HA GLU 75 HA GLU 75 10.806 10.562 1.910 607 1HB GLU 75 HB2 GLU 75 12.430 9.813 3.525 608 2HB GLU 75 HB1 GLU 75 10.817 9.521 4.157 609 1HG GLU 75 HG2 GLU 75 10.992 7.176 3.625 610 2HG GLU 75 HG1 GLU 75 12.559 7.437 2.862 611 H LYS 76 HN LYS 76 11.229 7.146 1.111 612 HA LYS 76 HA LYS 76 13.744 7.422 -0.149 613 1HB LYS 76 HB2 LYS 76 12.253 5.306 0.598 614 2HB LYS 76 HB1 LYS 76 11.907 5.314 -1.126 615 1HG LYS 76 HG2 LYS 76 14.187 5.025 -1.681 616 2HG LYS 76 HG1 LYS 76 14.703 5.358 -0.026 617 1HD LYS 76 HD2 LYS 76 13.755 3.307 0.756 618 2HD LYS 76 HD1 LYS 76 12.970 3.015 -0.799 619 1HE LYS 76 HE2 LYS 76 14.779 1.689 -1.109 620 2HE LYS 76 HE1 LYS 76 15.501 3.211 -1.630 621 1HZ LYS 76 HZ1 LYS 76 16.613 3.456 0.387 622 2HZ LYS 76 HZ2 LYS 76 16.787 1.811 0.034 623 3HZ LYS 76 HZ3 LYS 76 15.650 2.314 1.181 624 H VAL 77 HN VAL 77 10.500 7.025 -1.601 625 HA VAL 77 HA VAL 77 11.371 7.505 -4.243 626 HB VAL 77 HB VAL 77 9.205 7.298 -4.914 627 1HG1 VAL 77 HG11 VAL 77 8.383 5.508 -3.830 628 2HG1 VAL 77 HG12 VAL 77 8.391 6.315 -2.264 629 3HG1 VAL 77 HG13 VAL 77 9.882 5.634 -2.912 630 1HG2 VAL 77 HG21 VAL 77 8.193 9.262 -4.233 631 2HG2 VAL 77 HG22 VAL 77 8.508 8.958 -2.525 632 3HG2 VAL 77 HG23 VAL 77 7.264 8.037 -3.371 633 H GLU 78 HN GLU 78 10.661 9.605 -1.625 634 HA GLU 78 HA GLU 78 10.000 11.951 -2.998 635 1HB GLU 78 HB2 GLU 78 10.672 11.204 -0.314 636 2HB GLU 78 HB1 GLU 78 11.572 12.649 -0.743 637 1HG GLU 78 HG2 GLU 78 9.210 12.825 0.337 638 2HG GLU 78 HG1 GLU 78 9.694 13.933 -0.944 639 H ILE 79 HN ILE 79 13.155 10.795 -1.823 640 HA ILE 79 HA ILE 79 14.638 12.856 -3.049 641 HB ILE 79 HB ILE 79 15.789 10.148 -2.457 642 1HG1 ILE 79 HG12 ILE 79 15.913 12.067 -0.262 643 2HG1 ILE 79 HG11 ILE 79 14.260 11.576 -0.633 644 1HG2 ILE 79 HG21 ILE 79 16.814 12.956 -2.588 645 2HG2 ILE 79 HG22 ILE 79 17.428 11.504 -3.380 646 3HG2 ILE 79 HG23 ILE 79 17.666 11.731 -1.647 647 1HD1 ILE 79 HD11 ILE 79 16.501 9.634 -0.154 648 2HD1 ILE 79 HD12 ILE 79 14.773 9.292 -0.255 649 3HD1 ILE 79 HD13 ILE 79 15.413 10.212 1.107 650 H LYS 80 HN LYS 80 13.068 12.178 -5.126 651 HA LYS 80 HA LYS 80 13.024 11.666 -7.300 652 1HB LYS 80 HB2 LYS 80 15.042 12.075 -8.596 653 2HB LYS 80 HB1 LYS 80 14.801 13.316 -7.379 654 1HG LYS 80 HG2 LYS 80 16.570 12.508 -6.055 655 2HG LYS 80 HG1 LYS 80 16.653 10.993 -6.954 656 1HD LYS 80 HD2 LYS 80 17.038 12.848 -8.924 657 2HD LYS 80 HD1 LYS 80 17.840 13.602 -7.545 658 1HE LYS 80 HE2 LYS 80 19.514 12.111 -7.558 659 2HE LYS 80 HE1 LYS 80 18.423 10.754 -7.835 660 1HZ LYS 80 HZ1 LYS 80 18.333 11.939 -10.208 661 2HZ LYS 80 HZ2 LYS 80 19.455 10.735 -9.820 662 3HZ LYS 80 HZ3 LYS 80 19.904 12.363 -9.747 663 H GLN 81 HN GLN 81 12.447 9.489 -6.316 664 HA GLN 81 HA GLN 81 14.220 7.461 -7.513 665 1HB GLN 81 HB2 GLN 81 13.134 7.629 -4.843 666 2HB GLN 81 HB1 GLN 81 12.561 6.172 -5.643 667 1HG GLN 81 HG2 GLN 81 15.461 6.941 -5.548 668 2HG GLN 81 HG1 GLN 81 14.685 5.961 -4.305 669 1HE2 GLN 81 HE21 GLN 81 14.645 3.844 -4.592 670 2HE2 GLN 81 HE22 GLN 81 14.957 3.020 -6.078 671 H LEU 82 HN LEU 82 10.917 7.289 -6.221 672 HA LEU 82 HA LEU 82 9.911 6.820 -8.938 673 1HB LEU 82 HB2 LEU 82 8.392 5.035 -7.809 674 2HB LEU 82 HB1 LEU 82 10.021 4.617 -8.303 675 HG LEU 82 HG LEU 82 9.794 5.570 -5.532 676 1HD1 LEU 82 HD11 LEU 82 9.025 3.180 -4.900 677 2HD1 LEU 82 HD12 LEU 82 8.317 3.163 -6.515 678 3HD1 LEU 82 HD13 LEU 82 7.815 4.384 -5.346 679 1HD2 LEU 82 HD21 LEU 82 11.323 3.729 -5.141 680 2HD2 LEU 82 HD22 LEU 82 11.861 4.680 -6.525 681 3HD2 LEU 82 HD23 LEU 82 11.056 3.131 -6.779 682 H ASN 83 HN ASN 83 9.456 9.177 -8.190 683 HA ASN 83 HA ASN 83 7.358 9.663 -6.358 684 1HB ASN 83 HB2 ASN 83 8.867 11.446 -6.963 685 2HB ASN 83 HB1 ASN 83 8.412 11.317 -8.659 686 1HD2 ASN 83 HD21 ASN 83 7.369 13.105 -9.163 687 2HD2 ASN 83 HD22 ASN 83 6.076 13.813 -8.263 688 H HIS 84 HN HIS 84 7.389 8.621 -9.657 689 HA HIS 84 HA HIS 84 4.931 9.493 -10.586 690 1HB HIS 84 HB2 HIS 84 4.960 7.186 -11.833 691 2HB HIS 84 HB1 HIS 84 6.170 8.407 -12.211 692 HD1 HIS 84 HD1 HIS 84 5.755 5.057 -10.620 693 HD2 HIS 84 HD2 HIS 84 8.790 7.772 -11.440 694 HE1 HIS 84 HE1 HIS 84 7.900 3.805 -10.228 695 HE2 HIS 84 HE2 HIS 84 9.723 5.442 -10.817 696 H PHE 85 HN PHE 85 5.635 6.466 -8.840 697 HA PHE 85 HA PHE 85 3.080 5.443 -8.666 698 1HB PHE 85 HB2 PHE 85 5.317 4.447 -7.844 699 2HB PHE 85 HB1 PHE 85 4.993 5.308 -6.341 700 HD1 PHE 85 HD1 PHE 85 3.523 2.822 -8.679 701 HD2 PHE 85 HD2 PHE 85 3.652 4.340 -4.703 702 HE1 PHE 85 HE1 PHE 85 2.126 0.946 -7.919 703 HE2 PHE 85 HE2 PHE 85 2.250 2.461 -3.934 704 HZ PHE 85 HZ PHE 85 1.489 0.763 -5.548 705 H TRP 86 HN TRP 86 4.646 7.839 -6.584 706 HA TRP 86 HA TRP 86 2.613 8.055 -4.667 707 1HB TRP 86 HB2 TRP 86 4.898 8.960 -4.377 708 2HB TRP 86 HB1 TRP 86 4.539 10.203 -5.572 709 HD1 TRP 86 HD1 TRP 86 3.603 12.398 -4.646 710 HE1 TRP 86 HE1 TRP 86 2.593 13.167 -2.405 711 HE3 TRP 86 HE3 TRP 86 3.388 7.882 -2.272 712 HZ2 TRP 86 HZ2 TRP 86 1.808 12.003 0.048 713 HZ3 TRP 86 HZ3 TRP 86 2.497 7.791 0.019 714 HH2 TRP 86 HH2 TRP 86 1.722 9.811 1.153 715 H GLU 87 HN GLU 87 3.109 9.741 -7.742 716 HA GLU 87 HA GLU 87 1.001 11.598 -7.433 717 1HB GLU 87 HB2 GLU 87 2.483 10.501 -9.808 718 2HB GLU 87 HB1 GLU 87 1.100 11.566 -10.032 719 1HG GLU 87 HG2 GLU 87 2.192 13.327 -8.820 720 2HG GLU 87 HG1 GLU 87 3.534 12.261 -8.406 721 H ILE 88 HN ILE 88 1.188 8.342 -8.737 722 HA ILE 88 HA ILE 88 -1.562 8.279 -9.579 723 HB ILE 88 HB ILE 88 0.118 5.830 -9.114 724 1HG1 ILE 88 HG12 ILE 88 0.156 7.167 -11.778 725 2HG1 ILE 88 HG11 ILE 88 1.190 7.835 -10.516 726 1HG2 ILE 88 HG21 ILE 88 -1.171 5.040 -11.096 727 2HG2 ILE 88 HG22 ILE 88 -2.094 6.542 -11.029 728 3HG2 ILE 88 HG23 ILE 88 -2.164 5.403 -9.685 729 1HD1 ILE 88 HD11 ILE 88 2.536 5.989 -10.457 730 2HD1 ILE 88 HD12 ILE 88 2.075 6.009 -12.159 731 3HD1 ILE 88 HD13 ILE 88 1.270 4.909 -11.039 732 H VAL 89 HN VAL 89 0.103 7.920 -6.678 733 HA VAL 89 HA VAL 89 -1.778 6.114 -5.401 734 HB VAL 89 HB VAL 89 0.730 7.495 -4.531 735 1HG1 VAL 89 HG11 VAL 89 -0.733 8.021 -2.702 736 2HG1 VAL 89 HG12 VAL 89 0.327 6.702 -2.206 737 3HG1 VAL 89 HG13 VAL 89 -1.344 6.367 -2.658 738 1HG2 VAL 89 HG21 VAL 89 -0.062 4.681 -3.921 739 2HG2 VAL 89 HG22 VAL 89 1.542 5.363 -4.196 740 3HG2 VAL 89 HG23 VAL 89 0.445 5.116 -5.554 741 H VAL 90 HN VAL 90 -0.976 9.554 -5.404 742 HA VAL 90 HA VAL 90 -2.937 10.215 -3.410 743 HB VAL 90 HB VAL 90 -0.840 11.555 -3.835 744 1HG1 VAL 90 HG11 VAL 90 -0.950 11.568 -6.282 745 2HG1 VAL 90 HG12 VAL 90 -0.853 13.200 -5.620 746 3HG1 VAL 90 HG13 VAL 90 -2.395 12.578 -6.207 747 1HG2 VAL 90 HG21 VAL 90 -1.830 13.604 -3.212 748 2HG2 VAL 90 HG22 VAL 90 -2.899 12.346 -2.591 749 3HG2 VAL 90 HG23 VAL 90 -3.331 13.225 -4.058 750 H GLN 91 HN GLN 91 -2.716 10.248 -6.910 751 HA GLN 91 HA GLN 91 -5.091 11.636 -7.469 752 1HB GLN 91 HB2 GLN 91 -3.310 9.785 -8.965 753 2HB GLN 91 HB1 GLN 91 -4.928 10.030 -9.608 754 1HG GLN 91 HG2 GLN 91 -4.399 12.540 -9.378 755 2HG GLN 91 HG1 GLN 91 -2.720 12.014 -9.259 756 1HE2 GLN 91 HE21 GLN 91 -1.636 11.650 -11.074 757 2HE2 GLN 91 HE22 GLN 91 -2.329 11.558 -12.654 758 H ASP 92 HN ASP 92 -4.467 8.136 -7.214 759 HA ASP 92 HA ASP 92 -7.077 7.273 -7.691 760 1HB ASP 92 HB2 ASP 92 -4.703 6.094 -6.306 761 2HB ASP 92 HB1 ASP 92 -6.258 5.280 -6.174 762 H GLY 93 HN GLY 93 -5.922 9.063 -5.092 763 1HA GLY 93 HA2 GLY 93 -7.256 9.944 -3.378 764 2HA GLY 93 HA1 GLY 93 -8.436 8.673 -3.676 765 H ILE 94 HN ILE 94 -5.027 8.008 -3.209 766 HA ILE 94 HA ILE 94 -5.712 6.457 -0.834 767 HB ILE 94 HB ILE 94 -3.018 6.592 -2.178 768 1HG1 ILE 94 HG12 ILE 94 -5.100 4.465 -2.665 769 2HG1 ILE 94 HG11 ILE 94 -4.967 5.891 -3.694 770 1HG2 ILE 94 HG21 ILE 94 -2.892 5.660 0.011 771 2HG2 ILE 94 HG22 ILE 94 -2.800 4.324 -1.136 772 3HG2 ILE 94 HG23 ILE 94 -4.306 4.645 -0.277 773 1HD1 ILE 94 HD11 ILE 94 -3.336 3.484 -3.605 774 2HD1 ILE 94 HD12 ILE 94 -2.392 4.974 -3.620 775 3HD1 ILE 94 HD13 ILE 94 -3.564 4.659 -4.901 776 H THR 95 HN THR 95 -5.559 7.360 1.078 777 HA THR 95 HA THR 95 -3.868 9.695 1.480 778 HB THR 95 HB THR 95 -6.201 9.772 2.246 779 HG1 THR 95 HG1 THR 95 -5.457 11.059 3.734 780 1HG2 THR 95 HG21 THR 95 -5.791 7.189 3.092 781 2HG2 THR 95 HG22 THR 95 -7.177 8.198 3.509 782 3HG2 THR 95 HG23 THR 95 -5.799 8.098 4.604 783 H LEU 96 HN LEU 96 -3.398 9.500 4.205 784 HA LEU 96 HA LEU 96 -1.238 7.508 4.223 785 1HB LEU 96 HB2 LEU 96 -1.634 10.172 5.464 786 2HB LEU 96 HB1 LEU 96 -0.731 8.990 6.394 787 HG LEU 96 HG LEU 96 0.537 10.643 4.863 788 1HD1 LEU 96 HD11 LEU 96 2.216 9.304 5.383 789 2HD1 LEU 96 HD12 LEU 96 1.709 8.143 4.156 790 3HD1 LEU 96 HD13 LEU 96 1.055 8.040 5.791 791 1HD2 LEU 96 HD21 LEU 96 0.686 10.235 2.609 792 2HD2 LEU 96 HD22 LEU 96 -1.013 9.866 2.901 793 3HD2 LEU 96 HD23 LEU 96 0.162 8.559 2.767 794 H ILE 97 HN ILE 97 -4.293 7.689 5.125 795 HA ILE 97 HA ILE 97 -5.520 6.210 6.399 796 HB ILE 97 HB ILE 97 -2.841 5.293 6.971 797 1HG1 ILE 97 HG12 ILE 97 -4.430 3.211 7.538 798 2HG1 ILE 97 HG11 ILE 97 -5.576 4.213 6.650 799 1HG2 ILE 97 HG21 ILE 97 -4.739 5.335 9.304 800 2HG2 ILE 97 HG22 ILE 97 -3.114 6.025 9.221 801 3HG2 ILE 97 HG23 ILE 97 -3.335 4.273 9.189 802 1HD1 ILE 97 HD11 ILE 97 -2.994 4.013 5.326 803 2HD1 ILE 97 HD12 ILE 97 -4.617 3.743 4.696 804 3HD1 ILE 97 HD13 ILE 97 -3.779 2.451 5.553 805 H THR 98 HN THR 98 -6.883 7.168 7.746 806 HA THR 98 HA THR 98 -5.783 8.998 9.776 807 HB THR 98 HB THR 98 -8.632 9.187 8.908 808 HG1 THR 98 HG1 THR 98 -8.088 10.309 7.087 809 1HG2 THR 98 HG21 THR 98 -8.134 11.616 9.269 810 2HG2 THR 98 HG22 THR 98 -6.524 11.144 9.813 811 3HG2 THR 98 HG23 THR 98 -7.948 10.612 10.706 812 H LYS 99 HN LYS 99 -6.701 9.051 11.829 813 HA LYS 99 HA LYS 99 -7.214 6.753 13.146 814 1HB LYS 99 HB2 LYS 99 -8.647 8.319 14.718 815 2HB LYS 99 HB1 LYS 99 -6.907 8.514 14.580 816 1HG LYS 99 HG2 LYS 99 -7.080 10.465 13.392 817 2HG LYS 99 HG1 LYS 99 -8.673 10.061 12.751 818 1HD LYS 99 HD2 LYS 99 -9.470 11.464 14.301 819 2HD LYS 99 HD1 LYS 99 -9.120 10.180 15.459 820 1HE LYS 99 HE2 LYS 99 -7.218 11.203 16.227 821 2HE LYS 99 HE1 LYS 99 -6.930 12.049 14.707 822 1HZ LYS 99 HZ1 LYS 99 -9.073 13.313 15.345 823 2HZ LYS 99 HZ2 LYS 99 -7.617 13.732 16.095 824 3HZ LYS 99 HZ3 LYS 99 -8.741 12.768 16.913 825 H GLU 100 HN GLU 100 -9.806 8.945 12.033 826 HA GLU 100 HA GLU 100 -11.928 7.250 12.750 827 1HB GLU 100 HB2 GLU 100 -11.645 9.802 11.636 828 2HB GLU 100 HB1 GLU 100 -12.568 8.885 10.453 829 1HG GLU 100 HG2 GLU 100 -14.185 8.282 12.184 830 2HG GLU 100 HG1 GLU 100 -13.261 9.210 13.365 831 H GLU 101 HN GLU 101 -9.844 7.273 9.976 832 HA GLU 101 HA GLU 101 -11.565 5.324 8.610 833 1HB GLU 101 HB2 GLU 101 -10.478 7.488 7.532 834 2HB GLU 101 HB1 GLU 101 -9.092 6.417 7.349 835 1HG GLU 101 HG2 GLU 101 -10.255 6.250 5.333 836 2HG GLU 101 HG1 GLU 101 -10.694 4.793 6.229 837 H ALA 102 HN ALA 102 -9.562 4.985 10.939 838 HA ALA 102 HA ALA 102 -7.737 3.043 9.738 839 1HB ALA 102 HB1 ALA 102 -7.820 4.511 12.321 840 2HB ALA 102 HB2 ALA 102 -6.481 4.266 11.200 841 3HB ALA 102 HB3 ALA 102 -6.989 2.958 12.268 842 H SER 103 HN SER 103 -8.886 2.675 13.009 843 HA SER 103 HA SER 103 -10.588 0.421 12.258 844 1HB SER 103 HB2 SER 103 -7.933 0.141 13.323 845 2HB SER 103 HB1 SER 103 -9.102 -0.466 14.496 846 HG SER 103 HG SER 103 -8.664 -2.146 13.149 847 H GLY 104 HN GLY 104 -9.785 3.012 14.305 848 1HA GLY 104 HA2 GLY 104 -12.268 3.130 15.558 849 2HA GLY 104 HA1 GLY 104 -11.189 2.272 16.651 850 H SER 105 HN SER 105 -10.967 5.140 14.538 851 HA SER 105 HA SER 105 -10.070 7.202 14.881 852 1HB SER 105 HB2 SER 105 -11.319 6.673 17.581 853 2HB SER 105 HB1 SER 105 -10.641 8.236 17.118 854 HG SER 105 HG SER 105 -12.782 8.323 16.613 855 H SER 106 HN SER 106 -8.154 5.207 15.050 856 HA SER 106 HA SER 106 -6.391 6.261 17.163 857 1HB SER 106 HB2 SER 106 -7.005 3.470 16.390 858 2HB SER 106 HB1 SER 106 -5.307 3.826 16.714 859 HG SER 106 HG SER 106 -7.015 4.896 18.564 860 H VAL 107 HN VAL 107 -5.474 7.794 15.770 861 HA VAL 107 HA VAL 107 -3.098 7.192 14.555 862 HB VAL 107 HB VAL 107 -5.329 6.672 12.735 863 1HG1 VAL 107 HG11 VAL 107 -4.938 8.863 11.851 864 2HG1 VAL 107 HG12 VAL 107 -4.197 7.702 10.750 865 3HG1 VAL 107 HG13 VAL 107 -3.192 8.619 11.871 866 1HG2 VAL 107 HG21 VAL 107 -3.136 5.355 13.390 867 2HG2 VAL 107 HG22 VAL 107 -2.472 6.256 12.027 868 3HG2 VAL 107 HG23 VAL 107 -3.863 5.196 11.790 869 H THR 108 HN THR 108 -1.999 9.055 14.073 870 HA THR 108 HA THR 108 -3.178 11.506 14.904 871 HB THR 108 HB THR 108 -0.750 11.876 13.365 872 HG1 THR 108 HG1 THR 108 -0.484 9.630 13.963 873 1HG2 THR 108 HG21 THR 108 -1.460 12.163 16.285 874 2HG2 THR 108 HG22 THR 108 -1.455 13.434 15.063 875 3HG2 THR 108 HG23 THR 108 0.063 12.696 15.573 876 H ALA 109 HN ALA 109 -3.563 13.395 13.693 877 HA ALA 109 HA ALA 109 -4.597 12.895 11.045 878 1HB ALA 109 HB1 ALA 109 -4.498 15.458 12.636 879 2HB ALA 109 HB2 ALA 109 -5.832 14.305 12.619 880 3HB ALA 109 HB3 ALA 109 -5.413 15.192 11.153 881 H GLU 110 HN GLU 110 -2.169 15.062 12.453 882 HA GLU 110 HA GLU 110 -1.137 16.351 10.354 883 1HB GLU 110 HB2 GLU 110 0.264 15.069 12.672 884 2HB GLU 110 HB1 GLU 110 1.185 15.936 11.451 885 1HG GLU 110 HG2 GLU 110 0.738 17.837 12.476 886 2HG GLU 110 HG1 GLU 110 -0.982 17.586 12.185 887 H GLU 111 HN GLU 111 -1.008 12.904 10.713 888 HA GLU 111 HA GLU 111 1.152 12.446 8.901 889 1HB GLU 111 HB2 GLU 111 0.805 10.629 10.318 890 2HB GLU 111 HB1 GLU 111 -0.943 10.782 10.243 891 1HG GLU 111 HG2 GLU 111 -1.067 9.693 8.195 892 2HG GLU 111 HG1 GLU 111 0.651 9.913 7.867 893 H ALA 112 HN ALA 112 -2.343 12.132 8.719 894 HA ALA 112 HA ALA 112 -2.345 11.667 5.886 895 1HB ALA 112 HB1 ALA 112 -4.491 11.951 7.946 896 2HB ALA 112 HB2 ALA 112 -4.070 10.551 6.959 897 3HB ALA 112 HB3 ALA 112 -4.887 11.933 6.228 898 H LYS 113 HN LYS 113 -2.420 14.438 7.884 899 HA LYS 113 HA LYS 113 -3.704 16.118 5.897 900 1HB LYS 113 HB2 LYS 113 -2.819 16.457 8.715 901 2HB LYS 113 HB1 LYS 113 -2.927 17.898 7.713 902 1HG LYS 113 HG2 LYS 113 -5.287 17.154 7.153 903 2HG LYS 113 HG1 LYS 113 -5.117 15.991 8.470 904 1HD LYS 113 HD2 LYS 113 -4.612 17.850 10.010 905 2HD LYS 113 HD1 LYS 113 -4.856 18.991 8.685 906 1HE LYS 113 HE2 LYS 113 -7.168 18.271 8.465 907 2HE LYS 113 HE1 LYS 113 -6.933 17.073 9.738 908 1HZ LYS 113 HZ1 LYS 113 -6.960 20.021 9.988 909 2HZ LYS 113 HZ2 LYS 113 -6.323 19.027 11.199 910 3HZ LYS 113 HZ3 LYS 113 -7.953 18.894 10.766 911 H LYS 114 HN LYS 114 -0.486 15.895 7.438 912 HA LYS 114 HA LYS 114 0.596 18.021 5.875 913 1HB LYS 114 HB2 LYS 114 1.354 16.744 8.157 914 2HB LYS 114 HB1 LYS 114 2.502 16.092 6.996 915 1HG LYS 114 HG2 LYS 114 2.065 19.023 7.016 916 2HG LYS 114 HG1 LYS 114 2.973 18.309 8.351 917 1HD LYS 114 HD2 LYS 114 4.243 17.093 6.386 918 2HD LYS 114 HD1 LYS 114 3.655 18.470 5.454 919 1HE LYS 114 HE2 LYS 114 5.914 18.830 6.394 920 2HE LYS 114 HE1 LYS 114 4.733 20.010 6.962 921 1HZ LYS 114 HZ1 LYS 114 5.677 17.629 8.466 922 2HZ LYS 114 HZ2 LYS 114 4.513 18.728 9.011 923 3HZ LYS 114 HZ3 LYS 114 6.109 19.236 8.774 924 H PHE 115 HN PHE 115 0.150 14.665 5.232 925 HA PHE 115 HA PHE 115 2.284 14.517 3.286 926 1HB PHE 115 HB2 PHE 115 0.299 12.661 4.438 927 2HB PHE 115 HB1 PHE 115 0.782 12.328 2.776 928 HD1 PHE 115 HD1 PHE 115 2.697 11.119 2.361 929 HD2 PHE 115 HD2 PHE 115 2.211 12.991 6.150 930 HE1 PHE 115 HE1 PHE 115 4.706 9.965 3.183 931 HE2 PHE 115 HE2 PHE 115 4.226 11.845 6.978 932 HZ PHE 115 HZ PHE 115 5.470 10.323 5.493 933 H LEU 116 HN LEU 116 -1.277 14.558 3.182 934 HA LEU 116 HA LEU 116 -1.281 14.669 0.295 935 1HB LEU 116 HB2 LEU 116 -3.434 14.730 2.391 936 2HB LEU 116 HB1 LEU 116 -3.793 15.038 0.703 937 HG LEU 116 HG LEU 116 -2.374 12.675 0.594 938 1HD1 LEU 116 HD11 LEU 116 -4.323 12.322 2.837 939 2HD1 LEU 116 HD12 LEU 116 -2.632 12.710 3.150 940 3HD1 LEU 116 HD13 LEU 116 -3.052 11.234 2.281 941 1HD2 LEU 116 HD21 LEU 116 -5.139 12.072 0.814 942 2HD2 LEU 116 HD22 LEU 116 -4.161 12.241 -0.643 943 3HD2 LEU 116 HD23 LEU 116 -4.980 13.647 0.038 944 H ALA 117 HN ALA 117 0.197 16.720 0.813 945 HA ALA 117 HA ALA 117 -1.549 19.093 0.784 946 1HB ALA 117 HB1 ALA 117 1.359 18.855 1.548 947 2HB ALA 117 HB2 ALA 117 0.001 19.138 2.636 948 3HB ALA 117 HB3 ALA 117 0.461 20.369 1.460 949 HA PRO 118 HA PRO 118 -0.458 19.958 -3.401 950 1HB PRO 118 HB2 PRO 118 -0.180 22.677 -3.365 951 2HB PRO 118 HB1 PRO 118 -1.741 21.852 -3.350 952 1HG PRO 118 HG2 PRO 118 -0.191 23.018 -1.070 953 2HG PRO 118 HG1 PRO 118 -1.932 23.102 -1.401 954 1HD PRO 118 HD2 PRO 118 -0.909 21.390 0.406 955 2HD PRO 118 HD1 PRO 118 -2.317 20.971 -0.589 956 H LYS 119 HN LYS 119 1.352 19.935 -4.601 957 HA LYS 119 HA LYS 119 3.881 20.533 -3.266 958 1HB LYS 119 HB2 LYS 119 3.518 18.338 -4.416 959 2HB LYS 119 HB1 LYS 119 3.427 19.206 -5.943 960 1HG LYS 119 HG2 LYS 119 5.756 20.133 -5.233 961 2HG LYS 119 HG1 LYS 119 5.778 18.718 -4.178 962 1HD LYS 119 HD2 LYS 119 5.151 17.390 -6.286 963 2HD LYS 119 HD1 LYS 119 5.648 18.831 -7.175 964 1HE LYS 119 HE2 LYS 119 7.615 18.145 -5.194 965 2HE LYS 119 HE1 LYS 119 7.277 16.757 -6.228 966 1HZ LYS 119 HZ1 LYS 119 7.601 18.327 -8.149 967 2HZ LYS 119 HZ2 LYS 119 8.994 17.953 -7.267 968 3HZ LYS 119 HZ3 LYS 119 8.226 19.442 -7.040 969 H ASP 120 HN ASP 120 2.507 21.050 -6.521 970 HA ASP 120 HA ASP 120 4.362 23.124 -7.145 971 1HB ASP 120 HB2 ASP 120 2.093 21.791 -8.478 972 2HB ASP 120 HB1 ASP 120 2.359 23.464 -8.960 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -3.336 -20.429 -12.612 2 2H GLY 1 HT2 GLY 1 -4.165 -19.469 -13.733 3 3H GLY 1 HT3 GLY 1 -4.026 -21.136 -13.987 4 1HA GLY 1 HA1 GLY 1 -6.176 -20.948 -13.207 5 2HA GLY 1 HA2 GLY 1 -5.255 -21.393 -11.779 6 HA PRO 2 HA PRO 2 -6.560 -17.856 -9.512 7 1HB PRO 2 HB2 PRO 2 -3.763 -16.916 -9.201 8 2HB PRO 2 HB1 PRO 2 -4.959 -17.323 -7.966 9 1HG PRO 2 HG2 PRO 2 -2.905 -18.949 -8.472 10 2HG PRO 2 HG1 PRO 2 -4.515 -19.594 -8.094 11 1HD PRO 2 HD2 PRO 2 -3.140 -19.353 -10.741 12 2HD PRO 2 HD1 PRO 2 -4.161 -20.665 -10.115 13 H VAL 3 HN VAL 3 -6.141 -15.368 -9.278 14 HA VAL 3 HA VAL 3 -5.067 -14.004 -11.544 15 HB VAL 3 HB VAL 3 -7.099 -14.817 -12.611 16 1HG1 VAL 3 HG11 VAL 3 -8.388 -15.037 -10.462 17 2HG1 VAL 3 HG12 VAL 3 -9.289 -14.357 -11.817 18 3HG1 VAL 3 HG13 VAL 3 -8.678 -13.299 -10.546 19 1HG2 VAL 3 HG21 VAL 3 -6.208 -12.525 -13.094 20 2HG2 VAL 3 HG22 VAL 3 -7.429 -11.886 -11.993 21 3HG2 VAL 3 HG23 VAL 3 -7.920 -12.743 -13.455 22 H ASN 4 HN ASN 4 -4.685 -11.907 -11.087 23 HA ASN 4 HA ASN 4 -4.545 -9.953 -9.936 24 1HB ASN 4 HB2 ASN 4 -7.161 -10.272 -10.184 25 2HB ASN 4 HB1 ASN 4 -7.070 -10.491 -8.436 26 1HD2 ASN 4 HD21 ASN 4 -6.007 -8.308 -11.013 27 2HD2 ASN 4 HD22 ASN 4 -6.165 -6.858 -10.087 28 HA PRO 5 HA PRO 5 -2.428 -11.717 -6.362 29 1HB PRO 5 HB2 PRO 5 -1.786 -8.833 -5.991 30 2HB PRO 5 HB1 PRO 5 -0.712 -10.235 -5.988 31 1HG PRO 5 HG2 PRO 5 -0.786 -8.595 -8.080 32 2HG PRO 5 HG1 PRO 5 -0.635 -10.350 -8.304 33 1HD PRO 5 HD2 PRO 5 -3.020 -8.588 -8.667 34 2HD PRO 5 HD1 PRO 5 -2.509 -10.004 -9.608 35 H ALA 6 HN ALA 6 -4.597 -8.947 -6.351 36 HA ALA 6 HA ALA 6 -4.890 -8.728 -3.545 37 1HB ALA 6 HB1 ALA 6 -7.276 -7.844 -4.709 38 2HB ALA 6 HB2 ALA 6 -6.012 -7.495 -5.887 39 3HB ALA 6 HB3 ALA 6 -5.882 -6.868 -4.245 40 H GLU 7 HN GLU 7 -6.574 -10.605 -6.006 41 HA GLU 7 HA GLU 7 -8.638 -11.540 -4.275 42 1HB GLU 7 HB2 GLU 7 -7.683 -12.205 -7.019 43 2HB GLU 7 HB1 GLU 7 -8.701 -13.376 -6.193 44 1HG GLU 7 HG2 GLU 7 -10.397 -11.610 -5.862 45 2HG GLU 7 HG1 GLU 7 -9.387 -10.511 -6.802 46 H ASN 8 HN ASN 8 -5.630 -12.980 -5.504 47 HA ASN 8 HA ASN 8 -5.888 -15.453 -4.190 48 1HB ASN 8 HB2 ASN 8 -4.173 -14.520 -6.027 49 2HB ASN 8 HB1 ASN 8 -3.163 -14.332 -4.597 50 1HD2 ASN 8 HD21 ASN 8 -2.091 -16.041 -3.882 51 2HD2 ASN 8 HD22 ASN 8 -2.346 -17.672 -4.391 52 H PHE 9 HN PHE 9 -4.797 -12.333 -3.121 53 HA PHE 9 HA PHE 9 -3.478 -13.220 -0.752 54 1HB PHE 9 HB2 PHE 9 -2.867 -11.084 -1.634 55 2HB PHE 9 HB1 PHE 9 -4.537 -10.534 -1.635 56 HD1 PHE 9 HD1 PHE 9 -5.433 -9.423 0.209 57 HD2 PHE 9 HD2 PHE 9 -1.743 -11.507 0.596 58 HE1 PHE 9 HE1 PHE 9 -5.109 -8.428 2.435 59 HE2 PHE 9 HE2 PHE 9 -1.414 -10.516 2.825 60 HZ PHE 9 HZ PHE 9 -3.098 -8.974 3.746 61 H ARG 10 HN ARG 10 -6.633 -11.681 -1.344 62 HA ARG 10 HA ARG 10 -7.589 -11.751 1.269 63 1HB ARG 10 HB2 ARG 10 -8.911 -11.700 -1.419 64 2HB ARG 10 HB1 ARG 10 -9.892 -11.897 0.027 65 1HG ARG 10 HG2 ARG 10 -9.096 -9.798 0.906 66 2HG ARG 10 HG1 ARG 10 -7.984 -9.617 -0.452 67 1HD ARG 10 HD2 ARG 10 -9.851 -9.480 -1.996 68 2HD ARG 10 HD1 ARG 10 -10.990 -9.750 -0.675 69 HE ARG 10 HE ARG 10 -10.185 -7.587 0.240 70 1HH1 ARG 10 HH11 ARG 10 -9.807 -8.289 -3.152 71 2HH1 ARG 10 HH12 ARG 10 -9.775 -6.624 -3.625 72 1HH2 ARG 10 HH21 ARG 10 -10.143 -5.393 -0.373 73 2HH2 ARG 10 HH22 ARG 10 -9.965 -4.977 -2.045 74 H VAL 11 HN VAL 11 -7.569 -14.239 -1.218 75 HA VAL 11 HA VAL 11 -9.249 -16.039 0.266 76 HB VAL 11 HB VAL 11 -7.458 -16.581 -2.108 77 1HG1 VAL 11 HG11 VAL 11 -7.854 -18.658 -1.057 78 2HG1 VAL 11 HG12 VAL 11 -9.014 -18.562 -2.383 79 3HG1 VAL 11 HG13 VAL 11 -9.539 -18.256 -0.728 80 1HG2 VAL 11 HG21 VAL 11 -10.433 -16.413 -2.246 81 2HG2 VAL 11 HG22 VAL 11 -9.229 -16.125 -3.503 82 3HG2 VAL 11 HG23 VAL 11 -9.484 -14.926 -2.234 83 H LEU 12 HN LEU 12 -5.775 -15.816 -0.425 84 HA LEU 12 HA LEU 12 -4.882 -18.111 0.808 85 1HB LEU 12 HB2 LEU 12 -3.726 -15.504 0.122 86 2HB LEU 12 HB1 LEU 12 -2.913 -16.320 1.447 87 HG LEU 12 HG LEU 12 -3.453 -17.772 -1.120 88 1HD1 LEU 12 HD11 LEU 12 -1.152 -15.918 -0.542 89 2HD1 LEU 12 HD12 LEU 12 -2.339 -15.774 -1.838 90 3HD1 LEU 12 HD13 LEU 12 -1.177 -17.102 -1.849 91 1HD2 LEU 12 HD21 LEU 12 -1.302 -18.020 0.979 92 2HD2 LEU 12 HD22 LEU 12 -1.508 -19.060 -0.431 93 3HD2 LEU 12 HD23 LEU 12 -2.728 -19.047 0.842 94 H VAL 13 HN VAL 13 -5.930 -15.108 2.271 95 HA VAL 13 HA VAL 13 -5.026 -15.952 4.909 96 HB VAL 13 HB VAL 13 -6.059 -13.810 5.688 97 1HG1 VAL 13 HG11 VAL 13 -3.796 -13.590 5.383 98 2HG1 VAL 13 HG12 VAL 13 -4.398 -12.371 4.261 99 3HG1 VAL 13 HG13 VAL 13 -3.882 -13.946 3.658 100 1HG2 VAL 13 HG21 VAL 13 -6.547 -12.143 3.839 101 2HG2 VAL 13 HG22 VAL 13 -7.761 -13.392 4.111 102 3HG2 VAL 13 HG23 VAL 13 -6.645 -13.528 2.753 103 H LYS 14 HN LYS 14 -8.048 -15.453 3.153 104 HA LYS 14 HA LYS 14 -9.666 -16.236 5.410 105 1HB LYS 14 HB2 LYS 14 -10.256 -14.609 3.449 106 2HB LYS 14 HB1 LYS 14 -10.699 -16.084 2.600 107 1HG LYS 14 HG2 LYS 14 -12.185 -16.620 4.573 108 2HG LYS 14 HG1 LYS 14 -11.892 -14.968 5.120 109 1HD LYS 14 HD2 LYS 14 -12.851 -14.074 3.104 110 2HD LYS 14 HD1 LYS 14 -12.996 -15.690 2.407 111 1HE LYS 14 HE2 LYS 14 -14.666 -16.307 3.983 112 2HE LYS 14 HE1 LYS 14 -14.379 -14.861 4.950 113 1HZ LYS 14 HZ1 LYS 14 -16.321 -14.448 3.728 114 2HZ LYS 14 HZ2 LYS 14 -15.664 -15.049 2.290 115 3HZ LYS 14 HZ3 LYS 14 -15.112 -13.580 2.922 116 H GLN 15 HN GLN 15 -8.055 -18.280 5.232 117 HA GLN 15 HA GLN 15 -9.536 -20.365 3.766 118 1HB GLN 15 HB2 GLN 15 -6.618 -20.017 4.338 119 2HB GLN 15 HB1 GLN 15 -7.271 -21.641 4.151 120 1HG GLN 15 HG2 GLN 15 -7.973 -19.669 2.064 121 2HG GLN 15 HG1 GLN 15 -6.297 -20.216 2.122 122 1HE2 GLN 15 HE21 GLN 15 -5.954 -22.560 2.105 123 2HE2 GLN 15 HE22 GLN 15 -7.034 -23.547 1.186 124 H LYS 16 HN LYS 16 -7.664 -19.722 6.716 125 HA LYS 16 HA LYS 16 -9.507 -20.852 8.472 126 1HB LYS 16 HB2 LYS 16 -8.231 -22.925 9.123 127 2HB LYS 16 HB1 LYS 16 -9.050 -23.011 7.570 128 1HG LYS 16 HG2 LYS 16 -7.043 -22.834 6.374 129 2HG LYS 16 HG1 LYS 16 -6.153 -22.268 7.789 130 1HD LYS 16 HD2 LYS 16 -6.005 -24.375 8.706 131 2HD LYS 16 HD1 LYS 16 -7.442 -24.957 7.864 132 1HE LYS 16 HE2 LYS 16 -6.162 -24.857 5.736 133 2HE LYS 16 HE1 LYS 16 -4.727 -24.429 6.665 134 1HZ LYS 16 HZ1 LYS 16 -6.148 -26.989 6.515 135 2HZ LYS 16 HZ2 LYS 16 -5.348 -26.596 7.953 136 3HZ LYS 16 HZ3 LYS 16 -4.485 -26.679 6.501 137 H LYS 17 HN LYS 17 -5.989 -20.711 7.952 138 HA LYS 17 HA LYS 17 -5.534 -18.727 9.878 139 1HB LYS 17 HB2 LYS 17 -6.174 -20.750 11.329 140 2HB LYS 17 HB1 LYS 17 -4.621 -21.423 10.853 141 1HG LYS 17 HG2 LYS 17 -3.449 -20.002 12.157 142 2HG LYS 17 HG1 LYS 17 -4.578 -18.669 11.909 143 1HD LYS 17 HD2 LYS 17 -6.183 -19.801 13.415 144 2HD LYS 17 HD1 LYS 17 -4.978 -21.055 13.714 145 1HE LYS 17 HE2 LYS 17 -3.464 -19.014 14.351 146 2HE LYS 17 HE1 LYS 17 -5.010 -18.199 14.582 147 1HZ LYS 17 HZ1 LYS 17 -4.268 -19.161 16.643 148 2HZ LYS 17 HZ2 LYS 17 -4.118 -20.689 15.934 149 3HZ LYS 17 HZ3 LYS 17 -5.646 -19.988 16.113 150 H ALA 18 HN ALA 18 -4.568 -18.572 7.541 151 HA ALA 18 HA ALA 18 -2.026 -19.925 7.231 152 1HB ALA 18 HB1 ALA 18 -3.509 -17.923 5.546 153 2HB ALA 18 HB2 ALA 18 -3.230 -19.633 5.221 154 3HB ALA 18 HB3 ALA 18 -1.888 -18.493 5.150 155 H SER 19 HN SER 19 -3.038 -17.356 9.001 156 HA SER 19 HA SER 19 -1.948 -15.742 10.175 157 1HB SER 19 HB2 SER 19 0.658 -16.628 8.941 158 2HB SER 19 HB1 SER 19 0.389 -15.870 10.513 159 HG SER 19 HG SER 19 0.061 -17.771 11.330 160 H PHE 20 HN PHE 20 -1.950 -13.647 9.736 161 HA PHE 20 HA PHE 20 -2.048 -12.665 7.103 162 1HB PHE 20 HB2 PHE 20 -2.897 -11.680 9.413 163 2HB PHE 20 HB1 PHE 20 -1.353 -10.837 9.359 164 HD1 PHE 20 HD1 PHE 20 -1.194 -8.831 8.235 165 HD2 PHE 20 HD2 PHE 20 -4.374 -11.495 7.282 166 HE1 PHE 20 HE1 PHE 20 -2.178 -7.124 6.761 167 HE2 PHE 20 HE2 PHE 20 -5.361 -9.792 5.804 168 HZ PHE 20 HZ PHE 20 -4.263 -7.604 5.543 169 H GLU 21 HN GLU 21 0.575 -12.935 9.412 170 HA GLU 21 HA GLU 21 2.458 -11.223 8.431 171 1HB GLU 21 HB2 GLU 21 2.454 -13.195 10.295 172 2HB GLU 21 HB1 GLU 21 3.505 -13.901 9.075 173 1HG GLU 21 HG2 GLU 21 5.065 -12.168 9.252 174 2HG GLU 21 HG1 GLU 21 3.931 -11.118 10.100 175 H GLU 22 HN GLU 22 2.373 -14.674 7.469 176 HA GLU 22 HA GLU 22 4.227 -14.530 5.437 177 1HB GLU 22 HB2 GLU 22 1.971 -16.347 6.081 178 2HB GLU 22 HB1 GLU 22 2.658 -16.467 4.467 179 1HG GLU 22 HG2 GLU 22 4.915 -16.678 5.610 180 2HG GLU 22 HG1 GLU 22 4.010 -16.918 7.105 181 H ALA 23 HN ALA 23 0.691 -14.220 5.114 182 HA ALA 23 HA ALA 23 0.632 -13.831 2.345 183 1HB ALA 23 HB1 ALA 23 -1.605 -13.118 2.616 184 2HB ALA 23 HB2 ALA 23 -1.317 -12.602 4.278 185 3HB ALA 23 HB3 ALA 23 -1.315 -14.319 3.875 186 H SER 24 HN SER 24 1.052 -11.528 4.985 187 HA SER 24 HA SER 24 0.816 -9.179 3.431 188 1HB SER 24 HB2 SER 24 1.869 -9.844 6.144 189 2HB SER 24 HB1 SER 24 2.315 -8.291 5.439 190 HG SER 24 HG SER 24 0.402 -7.616 5.942 191 H ASN 25 HN ASN 25 3.677 -10.907 4.660 192 HA ASN 25 HA ASN 25 5.640 -9.345 3.498 193 1HB ASN 25 HB2 ASN 25 5.462 -12.086 4.542 194 2HB ASN 25 HB1 ASN 25 6.723 -11.861 3.333 195 1HD2 ASN 25 HD21 ASN 25 5.724 -11.270 6.545 196 2HD2 ASN 25 HD22 ASN 25 7.131 -10.416 7.068 197 H GLN 26 HN GLN 26 4.045 -12.232 2.150 198 HA GLN 26 HA GLN 26 5.368 -12.309 -0.293 199 1HB GLN 26 HB2 GLN 26 3.359 -13.753 0.886 200 2HB GLN 26 HB1 GLN 26 2.511 -12.971 -0.441 201 1HG GLN 26 HG2 GLN 26 3.965 -13.944 -2.050 202 2HG GLN 26 HG1 GLN 26 5.056 -14.531 -0.794 203 1HE2 GLN 26 HE21 GLN 26 4.824 -16.561 -0.192 204 2HE2 GLN 26 HE22 GLN 26 3.423 -17.542 -0.440 205 H LEU 27 HN LEU 27 2.346 -10.639 0.541 206 HA LEU 27 HA LEU 27 1.776 -9.552 -1.949 207 1HB LEU 27 HB2 LEU 27 0.587 -9.472 0.475 208 2HB LEU 27 HB1 LEU 27 1.230 -7.840 0.402 209 HG LEU 27 HG LEU 27 -1.102 -7.963 -0.371 210 1HD1 LEU 27 HD11 LEU 27 -0.811 -6.395 -1.974 211 2HD1 LEU 27 HD12 LEU 27 0.365 -7.362 -2.864 212 3HD1 LEU 27 HD13 LEU 27 0.859 -6.487 -1.415 213 1HD2 LEU 27 HD21 LEU 27 -0.397 -9.269 -2.908 214 2HD2 LEU 27 HD22 LEU 27 -1.866 -9.380 -1.940 215 3HD2 LEU 27 HD23 LEU 27 -0.446 -10.328 -1.499 216 H ILE 28 HN ILE 28 3.675 -8.116 0.717 217 HA ILE 28 HA ILE 28 4.285 -5.705 -0.533 218 HB ILE 28 HB ILE 28 5.936 -7.253 1.466 219 1HG1 ILE 28 HG12 ILE 28 3.649 -6.709 2.230 220 2HG1 ILE 28 HG11 ILE 28 4.875 -5.830 3.140 221 1HG2 ILE 28 HG21 ILE 28 6.783 -4.897 2.005 222 2HG2 ILE 28 HG22 ILE 28 6.163 -4.453 0.415 223 3HG2 ILE 28 HG23 ILE 28 7.414 -5.688 0.560 224 1HD1 ILE 28 HD11 ILE 28 4.421 -3.828 1.847 225 2HD1 ILE 28 HD12 ILE 28 2.948 -4.434 2.603 226 3HD1 ILE 28 HD13 ILE 28 3.232 -4.704 0.884 227 H ASN 29 HN ASN 29 6.020 -8.823 -0.627 228 HA ASN 29 HA ASN 29 8.262 -7.900 -2.048 229 1HB ASN 29 HB2 ASN 29 7.719 -10.210 -0.848 230 2HB ASN 29 HB1 ASN 29 7.254 -10.677 -2.482 231 1HD2 ASN 29 HD21 ASN 29 9.876 -9.565 -0.458 232 2HD2 ASN 29 HD22 ASN 29 11.154 -10.070 -1.504 233 H HIS 30 HN HIS 30 5.217 -9.366 -3.130 234 HA HIS 30 HA HIS 30 5.720 -9.483 -5.853 235 1HB HIS 30 HB2 HIS 30 3.484 -9.821 -4.175 236 2HB HIS 30 HB1 HIS 30 3.002 -8.625 -5.376 237 HD1 HIS 30 HD1 HIS 30 3.868 -9.522 -7.960 238 HD2 HIS 30 HD2 HIS 30 2.868 -12.296 -5.032 239 HE1 HIS 30 HE1 HIS 30 3.353 -11.649 -9.198 240 HE2 HIS 30 HE2 HIS 30 2.835 -13.337 -7.400 241 H ILE 31 HN ILE 31 4.342 -6.826 -3.948 242 HA ILE 31 HA ILE 31 3.986 -4.994 -6.027 243 HB ILE 31 HB ILE 31 4.696 -4.414 -3.146 244 1HG1 ILE 31 HG12 ILE 31 1.973 -4.377 -4.453 245 2HG1 ILE 31 HG11 ILE 31 2.610 -5.787 -3.609 246 1HG2 ILE 31 HG21 ILE 31 3.575 -2.222 -3.611 247 2HG2 ILE 31 HG22 ILE 31 3.613 -2.640 -5.325 248 3HG2 ILE 31 HG23 ILE 31 5.121 -2.452 -4.430 249 1HD1 ILE 31 HD11 ILE 31 1.788 -3.138 -2.508 250 2HD1 ILE 31 HD12 ILE 31 2.929 -4.158 -1.632 251 3HD1 ILE 31 HD13 ILE 31 1.314 -4.760 -2.003 252 H GLU 32 HN GLU 32 6.771 -5.444 -3.861 253 HA GLU 32 HA GLU 32 8.412 -3.434 -4.831 254 1HB GLU 32 HB2 GLU 32 8.890 -6.048 -3.482 255 2HB GLU 32 HB1 GLU 32 10.272 -5.224 -4.190 256 1HG GLU 32 HG2 GLU 32 9.742 -3.229 -2.854 257 2HG GLU 32 HG1 GLU 32 8.402 -4.106 -2.113 258 H GLN 33 HN GLN 33 7.995 -6.743 -6.012 259 HA GLN 33 HA GLN 33 9.998 -6.661 -7.989 260 1HB GLN 33 HB2 GLN 33 7.587 -8.345 -7.482 261 2HB GLN 33 HB1 GLN 33 8.339 -8.435 -9.068 262 1HG GLN 33 HG2 GLN 33 10.418 -9.134 -8.112 263 2HG GLN 33 HG1 GLN 33 9.809 -8.866 -6.480 264 1HE2 GLN 33 HE21 GLN 33 10.113 -11.056 -9.044 265 2HE2 GLN 33 HE22 GLN 33 9.177 -12.345 -8.375 266 H PHE 34 HN PHE 34 6.497 -6.092 -8.177 267 HA PHE 34 HA PHE 34 6.276 -5.484 -10.862 268 1HB PHE 34 HB2 PHE 34 4.777 -4.388 -8.482 269 2HB PHE 34 HB1 PHE 34 4.338 -3.997 -10.141 270 HD1 PHE 34 HD1 PHE 34 3.095 -5.722 -7.649 271 HD2 PHE 34 HD2 PHE 34 4.659 -6.539 -11.523 272 HE1 PHE 34 HE1 PHE 34 1.735 -7.769 -7.763 273 HE2 PHE 34 HE2 PHE 34 3.301 -8.588 -11.642 274 HZ PHE 34 HZ PHE 34 1.836 -9.204 -9.761 275 H LEU 35 HN LEU 35 7.678 -3.616 -8.307 276 HA LEU 35 HA LEU 35 7.666 -1.122 -9.743 277 1HB LEU 35 HB2 LEU 35 9.022 -2.057 -7.221 278 2HB LEU 35 HB1 LEU 35 9.304 -0.462 -7.898 279 HG LEU 35 HG LEU 35 6.469 -1.163 -7.504 280 1HD1 LEU 35 HD11 LEU 35 7.102 -2.157 -5.500 281 2HD1 LEU 35 HD12 LEU 35 6.742 -0.494 -5.039 282 3HD1 LEU 35 HD13 LEU 35 8.416 -1.011 -5.235 283 1HD2 LEU 35 HD21 LEU 35 8.024 1.246 -6.596 284 2HD2 LEU 35 HD22 LEU 35 6.291 1.114 -6.899 285 3HD2 LEU 35 HD23 LEU 35 7.429 1.056 -8.246 286 H ASP 36 HN ASP 36 9.967 -3.718 -9.122 287 HA ASP 36 HA ASP 36 12.266 -2.524 -10.169 288 1HB ASP 36 HB2 ASP 36 12.210 -4.653 -8.870 289 2HB ASP 36 HB1 ASP 36 11.541 -5.458 -10.287 290 H THR 37 HN THR 37 9.729 -4.414 -11.762 291 HA THR 37 HA THR 37 10.882 -4.606 -14.296 292 HB THR 37 HB THR 37 8.235 -4.420 -14.907 293 HG1 THR 37 HG1 THR 37 7.040 -4.645 -13.171 294 1HG2 THR 37 HG21 THR 37 9.798 -6.323 -15.298 295 2HG2 THR 37 HG22 THR 37 8.187 -6.824 -14.786 296 3HG2 THR 37 HG23 THR 37 9.522 -6.836 -13.634 297 H ASN 38 HN ASN 38 9.208 -1.968 -12.738 298 HA ASN 38 HA ASN 38 8.842 0.197 -13.323 299 1HB ASN 38 HB2 ASN 38 11.407 -0.280 -13.980 300 2HB ASN 38 HB1 ASN 38 10.774 0.124 -15.576 301 1HD2 ASN 38 HD21 ASN 38 10.252 1.323 -12.273 302 2HD2 ASN 38 HD22 ASN 38 10.511 2.988 -12.656 303 H GLU 39 HN GLU 39 7.152 -1.715 -14.485 304 HA GLU 39 HA GLU 39 6.732 -0.762 -17.224 305 1HB GLU 39 HB2 GLU 39 5.763 -3.156 -15.690 306 2HB GLU 39 HB1 GLU 39 4.938 -2.637 -17.154 307 1HG GLU 39 HG2 GLU 39 7.564 -2.676 -17.931 308 2HG GLU 39 HG1 GLU 39 7.465 -4.044 -16.824 309 H THR 40 HN THR 40 5.168 0.631 -17.706 310 HA THR 40 HA THR 40 3.711 2.026 -15.810 311 HB THR 40 HB THR 40 2.611 1.739 -18.580 312 HG1 THR 40 HG1 THR 40 4.489 2.275 -19.380 313 1HG2 THR 40 HG21 THR 40 3.064 4.121 -16.778 314 2HG2 THR 40 HG22 THR 40 1.537 3.260 -16.967 315 3HG2 THR 40 HG23 THR 40 2.232 4.133 -18.333 316 HA PRO 41 HA PRO 41 -0.156 -0.771 -17.072 317 1HB PRO 41 HB2 PRO 41 1.346 -3.299 -17.514 318 2HB PRO 41 HB1 PRO 41 -0.089 -2.679 -18.343 319 1HG PRO 41 HG2 PRO 41 2.296 -2.627 -19.528 320 2HG PRO 41 HG1 PRO 41 1.151 -1.286 -19.723 321 1HD PRO 41 HD2 PRO 41 3.598 -1.459 -18.014 322 2HD PRO 41 HD1 PRO 41 2.964 -0.086 -18.943 323 H TYR 42 HN TYR 42 2.348 -3.032 -15.925 324 HA TYR 42 HA TYR 42 1.030 -4.199 -13.873 325 1HB TYR 42 HB2 TYR 42 3.945 -3.473 -14.089 326 2HB TYR 42 HB1 TYR 42 3.312 -4.461 -12.777 327 HD1 TYR 42 HD1 TYR 42 2.774 -6.756 -13.116 328 HD2 TYR 42 HD2 TYR 42 3.825 -4.307 -16.432 329 HE1 TYR 42 HE1 TYR 42 2.972 -8.760 -14.525 330 HE2 TYR 42 HE2 TYR 42 4.025 -6.305 -17.851 331 HH TYR 42 HH TYR 42 3.210 -8.607 -17.917 332 H PHE 43 HN PHE 43 2.415 -0.969 -13.814 333 HA PHE 43 HA PHE 43 2.478 -0.558 -11.053 334 1HB PHE 43 HB2 PHE 43 2.425 1.163 -13.442 335 2HB PHE 43 HB1 PHE 43 1.795 1.916 -11.980 336 HD1 PHE 43 HD1 PHE 43 4.622 1.604 -13.880 337 HD2 PHE 43 HD2 PHE 43 3.364 1.279 -9.828 338 HE1 PHE 43 HE1 PHE 43 6.922 2.058 -13.135 339 HE2 PHE 43 HE2 PHE 43 5.660 1.734 -9.075 340 HZ PHE 43 HZ PHE 43 7.444 2.125 -10.728 341 H MET 44 HN MET 44 -0.182 -0.286 -13.348 342 HA MET 44 HA MET 44 -2.087 0.918 -11.713 343 1HB MET 44 HB2 MET 44 -2.443 -1.138 -13.900 344 2HB MET 44 HB1 MET 44 -3.765 -0.240 -13.168 345 1HG MET 44 HG2 MET 44 -2.158 1.793 -13.879 346 2HG MET 44 HG1 MET 44 -1.740 0.617 -15.123 347 1HE MET 44 HE1 MET 44 -4.452 3.432 -16.374 348 2HE MET 44 HE2 MET 44 -2.721 3.131 -16.244 349 3HE MET 44 HE3 MET 44 -3.635 3.647 -14.826 350 H LYS 45 HN LYS 45 -0.802 -2.289 -11.692 351 HA LYS 45 HA LYS 45 -2.920 -3.463 -10.145 352 1HB LYS 45 HB2 LYS 45 -0.964 -4.516 -11.691 353 2HB LYS 45 HB1 LYS 45 -0.233 -4.707 -10.101 354 1HG LYS 45 HG2 LYS 45 -1.577 -6.402 -9.580 355 2HG LYS 45 HG1 LYS 45 -3.012 -5.552 -10.157 356 1HD LYS 45 HD2 LYS 45 -2.131 -6.108 -12.512 357 2HD LYS 45 HD1 LYS 45 -1.100 -7.282 -11.691 358 1HE LYS 45 HE2 LYS 45 -3.529 -7.800 -10.570 359 2HE LYS 45 HE1 LYS 45 -3.987 -7.336 -12.209 360 1HZ LYS 45 HZ1 LYS 45 -3.539 -9.753 -11.876 361 2HZ LYS 45 HZ2 LYS 45 -1.912 -9.370 -11.616 362 3HZ LYS 45 HZ3 LYS 45 -2.632 -9.036 -13.111 363 H SER 46 HN SER 46 0.483 -2.679 -9.435 364 HA SER 46 HA SER 46 0.633 -3.087 -6.785 365 1HB SER 46 HB2 SER 46 1.672 -0.437 -7.684 366 2HB SER 46 HB1 SER 46 2.470 -1.699 -6.741 367 HG SER 46 HG SER 46 2.247 -1.399 -9.498 368 H ILE 47 HN ILE 47 -0.714 -0.119 -8.237 369 HA ILE 47 HA ILE 47 -1.450 1.164 -5.886 370 HB ILE 47 HB ILE 47 -3.042 1.198 -8.455 371 1HG1 ILE 47 HG12 ILE 47 -0.864 3.133 -7.684 372 2HG1 ILE 47 HG11 ILE 47 -0.525 1.681 -8.620 373 1HG2 ILE 47 HG21 ILE 47 -4.298 2.240 -6.747 374 2HG2 ILE 47 HG22 ILE 47 -3.547 3.547 -7.662 375 3HG2 ILE 47 HG23 ILE 47 -2.878 3.065 -6.103 376 1HD1 ILE 47 HD11 ILE 47 -1.973 2.430 -10.386 377 2HD1 ILE 47 HD12 ILE 47 -0.804 3.695 -10.004 378 3HD1 ILE 47 HD13 ILE 47 -2.467 3.829 -9.432 379 H ASP 48 HN ASP 48 -3.363 -1.067 -7.892 380 HA ASP 48 HA ASP 48 -5.616 -1.164 -6.196 381 1HB ASP 48 HB2 ASP 48 -5.211 -2.044 -8.665 382 2HB ASP 48 HB1 ASP 48 -4.849 -3.551 -7.825 383 H CYS 49 HN CYS 49 -2.510 -2.463 -5.933 384 HA CYS 49 HA CYS 49 -3.216 -4.669 -4.191 385 1HB CYS 49 HB2 CYS 49 -0.518 -3.497 -4.907 386 2HB CYS 49 HB1 CYS 49 -0.756 -4.933 -3.916 387 HG CYS 49 HG CYS 49 -0.903 -6.612 -5.851 388 H ILE 50 HN ILE 50 -1.609 -1.497 -3.884 389 HA ILE 50 HA ILE 50 -1.209 -1.553 -1.125 390 HB ILE 50 HB ILE 50 -0.607 0.199 -3.127 391 1HG1 ILE 50 HG12 ILE 50 -0.589 1.246 -0.326 392 2HG1 ILE 50 HG11 ILE 50 0.317 -0.223 -0.691 393 1HG2 ILE 50 HG21 ILE 50 -2.531 1.718 -1.384 394 2HG2 ILE 50 HG22 ILE 50 -2.951 1.098 -2.980 395 3HG2 ILE 50 HG23 ILE 50 -1.666 2.293 -2.808 396 1HD1 ILE 50 HD11 ILE 50 1.180 2.387 -0.999 397 2HD1 ILE 50 HD12 ILE 50 0.828 1.845 -2.639 398 3HD1 ILE 50 HD13 ILE 50 1.954 0.935 -1.633 399 H ARG 51 HN ARG 51 -4.027 -1.069 -3.039 400 HA ARG 51 HA ARG 51 -5.590 0.211 -0.986 401 1HB ARG 51 HB2 ARG 51 -6.216 -0.955 -3.689 402 2HB ARG 51 HB1 ARG 51 -7.504 -0.461 -2.599 403 1HG ARG 51 HG2 ARG 51 -5.684 1.675 -2.686 404 2HG ARG 51 HG1 ARG 51 -5.902 1.131 -4.350 405 1HD ARG 51 HD2 ARG 51 -8.373 1.226 -3.963 406 2HD ARG 51 HD1 ARG 51 -8.040 1.978 -2.403 407 HE ARG 51 HE ARG 51 -6.698 3.540 -4.170 408 1HH1 ARG 51 HH11 ARG 51 -9.992 2.430 -3.943 409 2HH1 ARG 51 HH12 ARG 51 -10.654 3.831 -4.716 410 1HH2 ARG 51 HH21 ARG 51 -7.560 5.389 -5.191 411 2HH2 ARG 51 HH22 ARG 51 -9.271 5.512 -5.426 412 H ALA 52 HN ALA 52 -5.599 -3.002 -2.516 413 HA ALA 52 HA ALA 52 -7.486 -4.191 -0.835 414 1HB ALA 52 HB1 ALA 52 -6.626 -6.317 -1.597 415 2HB ALA 52 HB2 ALA 52 -5.133 -5.554 -2.143 416 3HB ALA 52 HB3 ALA 52 -6.659 -5.179 -2.943 417 H PHE 53 HN PHE 53 -4.057 -3.651 -0.398 418 HA PHE 53 HA PHE 53 -3.758 -5.321 1.887 419 1HB PHE 53 HB2 PHE 53 -1.960 -4.372 0.252 420 2HB PHE 53 HB1 PHE 53 -1.970 -2.979 1.333 421 HD1 PHE 53 HD1 PHE 53 -1.554 -3.427 3.822 422 HD2 PHE 53 HD2 PHE 53 -0.681 -6.239 0.749 423 HE1 PHE 53 HE1 PHE 53 -0.003 -4.593 5.334 424 HE2 PHE 53 HE2 PHE 53 0.870 -7.411 2.257 425 HZ PHE 53 HZ PHE 53 1.211 -6.588 4.553 426 H ARG 54 HN ARG 54 -3.962 -1.761 1.549 427 HA ARG 54 HA ARG 54 -3.887 -1.191 4.283 428 1HB ARG 54 HB2 ARG 54 -4.839 0.984 3.726 429 2HB ARG 54 HB1 ARG 54 -3.588 0.536 2.578 430 1HG ARG 54 HG2 ARG 54 -4.985 0.660 0.868 431 2HG ARG 54 HG1 ARG 54 -6.204 -0.317 1.695 432 1HD ARG 54 HD2 ARG 54 -6.178 2.172 2.995 433 2HD ARG 54 HD1 ARG 54 -6.126 2.524 1.266 434 HE ARG 54 HE ARG 54 -8.092 0.676 1.463 435 1HH1 ARG 54 HH11 ARG 54 -7.469 3.688 3.101 436 2HH1 ARG 54 HH12 ARG 54 -9.144 4.044 3.357 437 1HH2 ARG 54 HH21 ARG 54 -10.300 1.137 1.796 438 2HH2 ARG 54 HH22 ARG 54 -10.753 2.594 2.616 439 H GLU 55 HN GLU 55 -6.520 -2.227 2.243 440 HA GLU 55 HA GLU 55 -8.611 -1.572 4.056 441 1HB GLU 55 HB2 GLU 55 -8.360 -3.244 1.599 442 2HB GLU 55 HB1 GLU 55 -9.760 -3.498 2.632 443 1HG GLU 55 HG2 GLU 55 -9.222 -0.689 2.049 444 2HG GLU 55 HG1 GLU 55 -9.578 -1.663 0.623 445 H GLU 56 HN GLU 56 -7.017 -4.649 3.253 446 HA GLU 56 HA GLU 56 -8.337 -6.155 5.248 447 1HB GLU 56 HB2 GLU 56 -5.769 -6.642 3.738 448 2HB GLU 56 HB1 GLU 56 -6.483 -7.817 4.838 449 1HG GLU 56 HG2 GLU 56 -8.397 -6.837 2.896 450 2HG GLU 56 HG1 GLU 56 -6.984 -7.566 2.134 451 H ALA 57 HN ALA 57 -5.601 -4.034 5.373 452 HA ALA 57 HA ALA 57 -4.592 -5.152 7.851 453 1HB ALA 57 HB1 ALA 57 -3.730 -2.886 6.086 454 2HB ALA 57 HB2 ALA 57 -2.880 -4.386 6.457 455 3HB ALA 57 HB3 ALA 57 -3.033 -3.131 7.687 456 H ILE 58 HN ILE 58 -5.800 -1.952 6.822 457 HA ILE 58 HA ILE 58 -5.971 -0.807 9.354 458 HB ILE 58 HB ILE 58 -7.679 -0.272 6.920 459 1HG1 ILE 58 HG12 ILE 58 -5.485 1.480 7.991 460 2HG1 ILE 58 HG11 ILE 58 -5.104 0.111 6.947 461 1HG2 ILE 58 HG21 ILE 58 -8.012 1.977 8.108 462 2HG2 ILE 58 HG22 ILE 58 -7.523 1.121 9.571 463 3HG2 ILE 58 HG23 ILE 58 -8.949 0.594 8.677 464 1HD1 ILE 58 HD11 ILE 58 -6.544 2.637 6.316 465 2HD1 ILE 58 HD12 ILE 58 -6.905 1.180 5.390 466 3HD1 ILE 58 HD13 ILE 58 -5.260 1.816 5.429 467 H LYS 59 HN LYS 59 -8.377 -2.682 7.549 468 HA LYS 59 HA LYS 59 -10.562 -2.430 9.188 469 1HB LYS 59 HB2 LYS 59 -9.560 -4.584 7.400 470 2HB LYS 59 HB1 LYS 59 -10.857 -4.999 8.509 471 1HG LYS 59 HG2 LYS 59 -12.034 -2.907 7.583 472 2HG LYS 59 HG1 LYS 59 -10.864 -3.025 6.264 473 1HD LYS 59 HD2 LYS 59 -11.687 -5.094 5.563 474 2HD LYS 59 HD1 LYS 59 -12.497 -5.397 7.101 475 1HE LYS 59 HE2 LYS 59 -14.213 -3.864 6.620 476 2HE LYS 59 HE1 LYS 59 -13.300 -3.130 5.302 477 1HZ LYS 59 HZ1 LYS 59 -14.951 -4.488 4.333 478 2HZ LYS 59 HZ2 LYS 59 -14.591 -5.797 5.341 479 3HZ LYS 59 HZ3 LYS 59 -13.492 -5.326 4.144 480 H PHE 60 HN PHE 60 -7.993 -4.916 9.473 481 HA PHE 60 HA PHE 60 -7.818 -4.761 12.250 482 1HB PHE 60 HB2 PHE 60 -8.923 -6.877 12.937 483 2HB PHE 60 HB1 PHE 60 -10.059 -5.653 12.386 484 HD1 PHE 60 HD1 PHE 60 -10.941 -5.854 9.996 485 HD2 PHE 60 HD2 PHE 60 -8.933 -9.011 12.021 486 HE1 PHE 60 HE1 PHE 60 -11.928 -7.477 8.435 487 HE2 PHE 60 HE2 PHE 60 -9.915 -10.641 10.462 488 HZ PHE 60 HZ PHE 60 -11.414 -9.875 8.665 489 H SER 61 HN SER 61 -5.654 -4.906 11.751 490 HA SER 61 HA SER 61 -4.539 -7.487 11.800 491 1HB SER 61 HB2 SER 61 -4.969 -6.311 9.152 492 2HB SER 61 HB1 SER 61 -3.305 -6.818 9.438 493 HG SER 61 HG SER 61 -5.624 -8.337 9.241 494 H GLU 62 HN GLU 62 -2.853 -5.213 9.823 495 HA GLU 62 HA GLU 62 -1.341 -4.284 12.168 496 1HB GLU 62 HB2 GLU 62 -0.219 -5.393 9.594 497 2HB GLU 62 HB1 GLU 62 0.740 -4.489 10.762 498 1HG GLU 62 HG2 GLU 62 0.201 -6.183 12.470 499 2HG GLU 62 HG1 GLU 62 -0.671 -7.105 11.242 500 H GLU 63 HN GLU 63 -3.028 -2.539 11.540 501 HA GLU 63 HA GLU 63 -2.779 -0.912 9.325 502 1HB GLU 63 HB2 GLU 63 -3.605 0.936 10.840 503 2HB GLU 63 HB1 GLU 63 -4.582 -0.525 10.820 504 1HG GLU 63 HG2 GLU 63 -3.241 -1.215 12.893 505 2HG GLU 63 HG1 GLU 63 -2.748 0.479 12.962 506 H GLN 64 HN GLN 64 -0.781 -0.987 12.221 507 HA GLN 64 HA GLN 64 0.641 1.424 11.708 508 1HB GLN 64 HB2 GLN 64 1.656 -0.946 13.283 509 2HB GLN 64 HB1 GLN 64 2.121 0.740 13.460 510 1HG GLN 64 HG2 GLN 64 -0.187 1.246 14.205 511 2HG GLN 64 HG1 GLN 64 -0.542 -0.480 14.144 512 1HE2 GLN 64 HE21 GLN 64 1.380 -1.753 15.291 513 2HE2 GLN 64 HE22 GLN 64 1.704 -1.201 16.895 514 H ARG 65 HN ARG 65 0.857 -1.760 10.431 515 HA ARG 65 HA ARG 65 3.587 -1.631 9.590 516 1HB ARG 65 HB2 ARG 65 2.589 -3.801 9.854 517 2HB ARG 65 HB1 ARG 65 1.279 -3.392 8.756 518 1HG ARG 65 HG2 ARG 65 2.874 -3.275 6.904 519 2HG ARG 65 HG1 ARG 65 4.178 -3.713 8.011 520 1HD ARG 65 HD2 ARG 65 2.448 -5.712 8.511 521 2HD ARG 65 HD1 ARG 65 2.046 -5.377 6.825 522 HE ARG 65 HE ARG 65 4.446 -5.745 6.341 523 1HH1 ARG 65 HH11 ARG 65 3.056 -7.063 9.252 524 2HH1 ARG 65 HH12 ARG 65 4.233 -8.326 9.396 525 1HH2 ARG 65 HH21 ARG 65 6.000 -7.404 6.523 526 2HH2 ARG 65 HH22 ARG 65 5.906 -8.519 7.845 527 H PHE 66 HN PHE 66 0.644 -0.316 8.491 528 HA PHE 66 HA PHE 66 1.549 0.007 5.750 529 1HB PHE 66 HB2 PHE 66 -0.951 -0.306 6.749 530 2HB PHE 66 HB1 PHE 66 -0.875 1.452 6.619 531 HD1 PHE 66 HD1 PHE 66 -0.651 -1.706 4.745 532 HD2 PHE 66 HD2 PHE 66 -0.887 2.535 4.507 533 HE1 PHE 66 HE1 PHE 66 -1.081 -1.869 2.329 534 HE2 PHE 66 HE2 PHE 66 -1.321 2.380 2.090 535 HZ PHE 66 HZ PHE 66 -1.420 0.175 1.000 536 H ASN 67 HN ASN 67 0.798 2.040 8.580 537 HA ASN 67 HA ASN 67 1.550 4.467 7.315 538 1HB ASN 67 HB2 ASN 67 1.994 5.104 9.869 539 2HB ASN 67 HB1 ASN 67 0.367 4.992 9.214 540 1HD2 ASN 67 HD21 ASN 67 -0.995 3.528 10.035 541 2HD2 ASN 67 HD22 ASN 67 -0.591 2.423 11.300 542 H ASN 68 HN ASN 68 3.230 1.802 8.505 543 HA ASN 68 HA ASN 68 5.734 3.133 9.042 544 1HB ASN 68 HB2 ASN 68 4.689 0.410 9.219 545 2HB ASN 68 HB1 ASN 68 6.332 0.459 8.589 546 1HD2 ASN 68 HD21 ASN 68 7.915 0.517 10.011 547 2HD2 ASN 68 HD22 ASN 68 7.770 0.967 11.673 548 H PHE 69 HN PHE 69 4.696 0.792 6.560 549 HA PHE 69 HA PHE 69 6.874 1.190 4.844 550 1HB PHE 69 HB2 PHE 69 5.018 -0.648 4.856 551 2HB PHE 69 HB1 PHE 69 4.164 0.459 3.782 552 HD1 PHE 69 HD1 PHE 69 7.130 -1.674 4.164 553 HD2 PHE 69 HD2 PHE 69 4.882 0.800 1.530 554 HE1 PHE 69 HE1 PHE 69 8.412 -2.548 2.253 555 HE2 PHE 69 HE2 PHE 69 6.159 -0.069 -0.384 556 HZ PHE 69 HZ PHE 69 7.927 -1.746 -0.024 557 H LEU 70 HN LEU 70 3.841 2.886 5.147 558 HA LEU 70 HA LEU 70 3.962 4.347 2.724 559 1HB LEU 70 HB2 LEU 70 2.520 4.766 5.323 560 2HB LEU 70 HB1 LEU 70 2.494 6.015 4.091 561 HG LEU 70 HG LEU 70 1.326 3.243 3.947 562 1HD1 LEU 70 HD11 LEU 70 -0.734 4.329 3.691 563 2HD1 LEU 70 HD12 LEU 70 0.028 5.876 3.321 564 3HD1 LEU 70 HD13 LEU 70 0.095 5.230 4.961 565 1HD2 LEU 70 HD21 LEU 70 2.417 3.535 1.834 566 2HD2 LEU 70 HD22 LEU 70 1.802 5.182 1.689 567 3HD2 LEU 70 HD23 LEU 70 0.690 3.815 1.606 568 H LYS 71 HN LYS 71 4.954 5.151 6.037 569 HA LYS 71 HA LYS 71 5.907 7.713 5.606 570 1HB LYS 71 HB2 LYS 71 6.369 5.589 7.593 571 2HB LYS 71 HB1 LYS 71 7.677 6.755 7.450 572 1HG LYS 71 HG2 LYS 71 6.033 8.573 7.807 573 2HG LYS 71 HG1 LYS 71 4.792 7.345 8.076 574 1HD LYS 71 HD2 LYS 71 6.291 6.425 9.898 575 2HD LYS 71 HD1 LYS 71 7.250 7.896 9.725 576 1HE LYS 71 HE2 LYS 71 4.329 8.233 10.049 577 2HE LYS 71 HE1 LYS 71 5.224 7.667 11.458 578 1HZ LYS 71 HZ1 LYS 71 6.753 9.604 11.058 579 2HZ LYS 71 HZ2 LYS 71 5.194 10.002 11.581 580 3HZ LYS 71 HZ3 LYS 71 5.611 10.188 9.953 581 H ALA 72 HN ALA 72 7.585 4.609 5.233 582 HA ALA 72 HA ALA 72 10.075 5.726 4.464 583 1HB ALA 72 HB1 ALA 72 9.891 3.451 5.320 584 2HB ALA 72 HB2 ALA 72 10.633 3.459 3.720 585 3HB ALA 72 HB3 ALA 72 8.945 2.984 3.906 586 H LEU 73 HN LEU 73 7.332 4.449 2.621 587 HA LEU 73 HA LEU 73 8.326 4.603 0.056 588 1HB LEU 73 HB2 LEU 73 6.054 3.752 0.857 589 2HB LEU 73 HB1 LEU 73 5.518 5.422 0.772 590 HG LEU 73 HG LEU 73 6.524 5.162 -1.709 591 1HD1 LEU 73 HD11 LEU 73 7.166 2.831 -1.381 592 2HD1 LEU 73 HD12 LEU 73 5.909 2.982 -2.609 593 3HD1 LEU 73 HD13 LEU 73 5.495 2.422 -0.988 594 1HD2 LEU 73 HD21 LEU 73 4.324 5.983 -1.251 595 2HD2 LEU 73 HD22 LEU 73 3.782 4.388 -0.731 596 3HD2 LEU 73 HD23 LEU 73 4.188 4.673 -2.424 597 H GLN 74 HN GLN 74 6.921 7.151 2.038 598 HA GLN 74 HA GLN 74 6.966 9.188 0.083 599 1HB GLN 74 HB2 GLN 74 5.812 9.127 2.413 600 2HB GLN 74 HB1 GLN 74 7.348 9.739 3.012 601 1HG GLN 74 HG2 GLN 74 6.716 11.348 0.823 602 2HG GLN 74 HG1 GLN 74 5.204 11.132 1.702 603 1HE2 GLN 74 HE21 GLN 74 8.377 12.488 1.746 604 2HE2 GLN 74 HE22 GLN 74 8.200 13.402 3.200 605 H GLU 75 HN GLU 75 9.236 8.397 2.697 606 HA GLU 75 HA GLU 75 11.161 10.337 2.058 607 1HB GLU 75 HB2 GLU 75 11.029 7.929 3.737 608 2HB GLU 75 HB1 GLU 75 12.643 8.310 3.153 609 1HG GLU 75 HG2 GLU 75 12.410 10.582 4.071 610 2HG GLU 75 HG1 GLU 75 10.831 10.136 4.714 611 H LYS 76 HN LYS 76 10.420 7.304 0.586 612 HA LYS 76 HA LYS 76 12.982 7.018 -0.727 613 1HB LYS 76 HB2 LYS 76 10.492 5.439 -0.511 614 2HB LYS 76 HB1 LYS 76 11.365 5.277 -2.029 615 1HG LYS 76 HG2 LYS 76 13.391 4.666 -0.774 616 2HG LYS 76 HG1 LYS 76 12.467 4.768 0.727 617 1HD LYS 76 HD2 LYS 76 10.908 3.047 -0.246 618 2HD LYS 76 HD1 LYS 76 12.068 2.846 -1.559 619 1HE LYS 76 HE2 LYS 76 13.775 2.149 -0.009 620 2HE LYS 76 HE1 LYS 76 12.723 2.497 1.363 621 1HZ LYS 76 HZ1 LYS 76 12.145 0.457 -0.716 622 2HZ LYS 76 HZ2 LYS 76 11.262 0.736 0.700 623 3HZ LYS 76 HZ3 LYS 76 12.834 0.117 0.792 624 H VAL 77 HN VAL 77 9.635 7.643 -1.741 625 HA VAL 77 HA VAL 77 10.090 8.046 -4.441 626 HB VAL 77 HB VAL 77 7.838 7.883 -3.484 627 1HG1 VAL 77 HG11 VAL 77 8.453 10.613 -2.367 628 2HG1 VAL 77 HG12 VAL 77 8.045 9.149 -1.473 629 3HG1 VAL 77 HG13 VAL 77 6.827 9.938 -2.475 630 1HG2 VAL 77 HG21 VAL 77 8.314 8.974 -5.703 631 2HG2 VAL 77 HG22 VAL 77 8.124 10.525 -4.885 632 3HG2 VAL 77 HG23 VAL 77 6.773 9.395 -4.955 633 H GLU 78 HN GLU 78 10.637 10.184 -1.718 634 HA GLU 78 HA GLU 78 10.984 12.578 -3.173 635 1HB GLU 78 HB2 GLU 78 11.615 11.601 -0.457 636 2HB GLU 78 HB1 GLU 78 12.661 12.886 -1.043 637 1HG GLU 78 HG2 GLU 78 10.568 14.181 -1.584 638 2HG GLU 78 HG1 GLU 78 9.681 12.951 -0.685 639 H ILE 79 HN ILE 79 13.186 10.026 -2.147 640 HA ILE 79 HA ILE 79 15.582 11.091 -3.117 641 HB ILE 79 HB ILE 79 14.888 8.152 -3.159 642 1HG1 ILE 79 HG12 ILE 79 14.308 9.105 -0.976 643 2HG1 ILE 79 HG11 ILE 79 15.719 8.056 -0.850 644 1HG2 ILE 79 HG21 ILE 79 17.469 9.686 -3.049 645 2HG2 ILE 79 HG22 ILE 79 16.953 8.482 -4.230 646 3HG2 ILE 79 HG23 ILE 79 17.359 7.987 -2.587 647 1HD1 ILE 79 HD11 ILE 79 17.168 10.028 -0.831 648 2HD1 ILE 79 HD12 ILE 79 16.000 10.051 0.491 649 3HD1 ILE 79 HD13 ILE 79 15.745 11.066 -0.929 650 H LYS 80 HN LYS 80 12.861 10.319 -4.847 651 HA LYS 80 HA LYS 80 12.382 10.431 -7.048 652 1HB LYS 80 HB2 LYS 80 13.756 11.686 -8.268 653 2HB LYS 80 HB1 LYS 80 14.873 11.644 -6.916 654 1HG LYS 80 HG2 LYS 80 16.137 9.907 -7.882 655 2HG LYS 80 HG1 LYS 80 14.884 9.553 -9.072 656 1HD LYS 80 HD2 LYS 80 16.042 10.856 -10.469 657 2HD LYS 80 HD1 LYS 80 15.452 12.217 -9.514 658 1HE LYS 80 HE2 LYS 80 17.491 11.722 -7.999 659 2HE LYS 80 HE1 LYS 80 18.100 10.824 -9.389 660 1HZ LYS 80 HZ1 LYS 80 17.546 13.716 -9.163 661 2HZ LYS 80 HZ2 LYS 80 17.622 12.962 -10.676 662 3HZ LYS 80 HZ3 LYS 80 18.970 12.945 -9.655 663 H GLN 81 HN GLN 81 11.572 8.667 -7.808 664 HA GLN 81 HA GLN 81 12.944 6.666 -9.159 665 1HB GLN 81 HB2 GLN 81 12.979 6.312 -6.301 666 2HB GLN 81 HB1 GLN 81 12.061 5.014 -7.052 667 1HG GLN 81 HG2 GLN 81 13.933 4.457 -8.468 668 2HG GLN 81 HG1 GLN 81 14.851 5.821 -7.832 669 1HE2 GLN 81 HE21 GLN 81 15.116 5.794 -5.409 670 2HE2 GLN 81 HE22 GLN 81 15.483 4.268 -4.684 671 H LEU 82 HN LEU 82 10.164 7.366 -7.095 672 HA LEU 82 HA LEU 82 8.444 6.096 -9.117 673 1HB LEU 82 HB2 LEU 82 6.916 5.436 -7.263 674 2HB LEU 82 HB1 LEU 82 8.458 4.599 -7.262 675 HG LEU 82 HG LEU 82 8.486 6.997 -5.604 676 1HD1 LEU 82 HD11 LEU 82 7.165 5.568 -3.813 677 2HD1 LEU 82 HD12 LEU 82 6.339 4.977 -5.255 678 3HD1 LEU 82 HD13 LEU 82 6.345 6.702 -4.887 679 1HD2 LEU 82 HD21 LEU 82 9.172 5.050 -3.966 680 2HD2 LEU 82 HD22 LEU 82 10.271 5.623 -5.220 681 3HD2 LEU 82 HD23 LEU 82 9.335 4.151 -5.474 682 H ASN 83 HN ASN 83 9.034 8.768 -9.244 683 HA ASN 83 HA ASN 83 7.349 10.498 -7.837 684 1HB ASN 83 HB2 ASN 83 9.314 11.083 -9.365 685 2HB ASN 83 HB1 ASN 83 8.180 10.929 -10.704 686 1HD2 ASN 83 HD21 ASN 83 7.443 12.801 -11.359 687 2HD2 ASN 83 HD22 ASN 83 7.107 14.175 -10.369 688 H HIS 84 HN HIS 84 6.722 8.385 -10.520 689 HA HIS 84 HA HIS 84 4.230 9.628 -11.251 690 1HB HIS 84 HB2 HIS 84 4.016 7.283 -12.474 691 2HB HIS 84 HB1 HIS 84 5.072 8.547 -13.093 692 HD1 HIS 84 HD1 HIS 84 5.544 5.780 -10.508 693 HD2 HIS 84 HD2 HIS 84 7.401 7.425 -13.842 694 HE1 HIS 84 HE1 HIS 84 7.668 4.467 -10.810 695 HE2 HIS 84 HE2 HIS 84 8.730 5.423 -12.885 696 H PHE 85 HN PHE 85 5.251 6.856 -9.324 697 HA PHE 85 HA PHE 85 2.721 5.725 -8.890 698 1HB PHE 85 HB2 PHE 85 5.024 4.744 -8.328 699 2HB PHE 85 HB1 PHE 85 4.931 5.689 -6.842 700 HD1 PHE 85 HD1 PHE 85 3.060 3.145 -8.812 701 HD2 PHE 85 HD2 PHE 85 3.871 4.815 -4.979 702 HE1 PHE 85 HE1 PHE 85 1.748 1.353 -7.754 703 HE2 PHE 85 HE2 PHE 85 2.559 3.023 -3.916 704 HZ PHE 85 HZ PHE 85 1.496 1.289 -5.305 705 H TRP 86 HN TRP 86 4.228 8.541 -7.578 706 HA TRP 86 HA TRP 86 2.374 8.747 -5.357 707 1HB TRP 86 HB2 TRP 86 4.804 9.500 -5.275 708 2HB TRP 86 HB1 TRP 86 4.326 10.843 -6.309 709 HD1 TRP 86 HD1 TRP 86 3.460 12.937 -5.121 710 HE1 TRP 86 HE1 TRP 86 2.756 13.522 -2.712 711 HE3 TRP 86 HE3 TRP 86 3.623 8.259 -3.075 712 HZ2 TRP 86 HZ2 TRP 86 2.328 12.171 -0.267 713 HZ3 TRP 86 HZ3 TRP 86 3.052 7.988 -0.698 714 HH2 TRP 86 HH2 TRP 86 2.417 9.905 0.675 715 H GLU 87 HN GLU 87 3.099 10.511 -8.355 716 HA GLU 87 HA GLU 87 1.058 12.412 -8.157 717 1HB GLU 87 HB2 GLU 87 2.683 11.285 -10.387 718 2HB GLU 87 HB1 GLU 87 1.257 12.224 -10.805 719 1HG GLU 87 HG2 GLU 87 2.125 14.102 -9.485 720 2HG GLU 87 HG1 GLU 87 3.570 13.161 -9.124 721 H ILE 88 HN ILE 88 0.958 9.070 -8.863 722 HA ILE 88 HA ILE 88 -1.654 9.230 -10.154 723 HB ILE 88 HB ILE 88 -0.141 7.555 -11.039 724 1HG1 ILE 88 HG12 ILE 88 -2.091 5.776 -9.719 725 2HG1 ILE 88 HG11 ILE 88 -2.779 7.202 -10.495 726 1HG2 ILE 88 HG21 ILE 88 0.830 5.833 -9.857 727 2HG2 ILE 88 HG22 ILE 88 -0.340 5.935 -8.541 728 3HG2 ILE 88 HG23 ILE 88 0.913 7.164 -8.707 729 1HD1 ILE 88 HD11 ILE 88 -2.801 5.361 -12.030 730 2HD1 ILE 88 HD12 ILE 88 -1.074 5.092 -11.791 731 3HD1 ILE 88 HD13 ILE 88 -1.636 6.563 -12.586 732 H VAL 89 HN VAL 89 -0.364 7.537 -7.275 733 HA VAL 89 HA VAL 89 -2.813 6.830 -6.177 734 HB VAL 89 HB VAL 89 -1.677 6.716 -3.984 735 1HG1 VAL 89 HG11 VAL 89 0.050 5.068 -4.660 736 2HG1 VAL 89 HG12 VAL 89 -0.168 5.584 -6.333 737 3HG1 VAL 89 HG13 VAL 89 -1.504 4.833 -5.461 738 1HG2 VAL 89 HG21 VAL 89 -0.172 8.414 -3.763 739 2HG2 VAL 89 HG22 VAL 89 0.358 8.314 -5.442 740 3HG2 VAL 89 HG23 VAL 89 0.924 7.127 -4.266 741 H VAL 90 HN VAL 90 -1.058 9.859 -5.941 742 HA VAL 90 HA VAL 90 -2.690 10.994 -3.908 743 HB VAL 90 HB VAL 90 -0.516 11.904 -5.655 744 1HG1 VAL 90 HG11 VAL 90 -1.988 13.539 -6.478 745 2HG1 VAL 90 HG12 VAL 90 -1.046 14.333 -5.215 746 3HG1 VAL 90 HG13 VAL 90 -2.699 13.814 -4.887 747 1HG2 VAL 90 HG21 VAL 90 -1.384 12.546 -2.843 748 2HG2 VAL 90 HG22 VAL 90 0.098 13.140 -3.592 749 3HG2 VAL 90 HG23 VAL 90 -0.130 11.410 -3.341 750 H GLN 91 HN GLN 91 -2.501 11.735 -7.385 751 HA GLN 91 HA GLN 91 -4.779 13.244 -7.635 752 1HB GLN 91 HB2 GLN 91 -3.249 11.503 -9.495 753 2HB GLN 91 HB1 GLN 91 -4.844 12.025 -10.017 754 1HG GLN 91 HG2 GLN 91 -4.187 14.357 -9.682 755 2HG GLN 91 HG1 GLN 91 -2.582 13.825 -9.180 756 1HE2 GLN 91 HE21 GLN 91 -4.798 13.037 -11.843 757 2HE2 GLN 91 HE22 GLN 91 -3.634 13.249 -13.101 758 H ASP 92 HN ASP 92 -4.526 9.759 -7.380 759 HA ASP 92 HA ASP 92 -7.191 9.173 -8.176 760 1HB ASP 92 HB2 ASP 92 -4.953 7.680 -6.915 761 2HB ASP 92 HB1 ASP 92 -6.572 7.026 -6.695 762 H GLY 93 HN GLY 93 -6.282 10.979 -5.676 763 1HA GLY 93 HA2 GLY 93 -7.498 11.765 -3.881 764 2HA GLY 93 HA1 GLY 93 -8.757 10.602 -4.281 765 H ILE 94 HN ILE 94 -5.921 8.888 -4.049 766 HA ILE 94 HA ILE 94 -6.704 7.629 -1.633 767 HB ILE 94 HB ILE 94 -3.954 7.440 -2.845 768 1HG1 ILE 94 HG12 ILE 94 -6.381 5.826 -3.653 769 2HG1 ILE 94 HG11 ILE 94 -5.745 7.178 -4.587 770 1HG2 ILE 94 HG21 ILE 94 -3.909 5.258 -1.877 771 2HG2 ILE 94 HG22 ILE 94 -5.611 5.361 -1.432 772 3HG2 ILE 94 HG23 ILE 94 -4.426 6.389 -0.628 773 1HD1 ILE 94 HD11 ILE 94 -4.778 4.424 -4.350 774 2HD1 ILE 94 HD12 ILE 94 -3.524 5.664 -4.305 775 3HD1 ILE 94 HD13 ILE 94 -4.629 5.577 -5.676 776 H THR 95 HN THR 95 -6.083 7.943 0.437 777 HA THR 95 HA THR 95 -3.965 9.921 0.950 778 HB THR 95 HB THR 95 -6.002 11.105 1.352 779 HG1 THR 95 HG1 THR 95 -5.196 11.818 3.168 780 1HG2 THR 95 HG21 THR 95 -6.838 8.773 3.081 781 2HG2 THR 95 HG22 THR 95 -7.522 9.198 1.512 782 3HG2 THR 95 HG23 THR 95 -7.731 10.282 2.887 783 H LEU 96 HN LEU 96 -3.009 9.801 3.083 784 HA LEU 96 HA LEU 96 -2.162 7.237 3.764 785 1HB LEU 96 HB2 LEU 96 -2.007 9.915 5.079 786 2HB LEU 96 HB1 LEU 96 -1.522 8.494 5.990 787 HG LEU 96 HG LEU 96 0.152 9.983 4.471 788 1HD1 LEU 96 HD11 LEU 96 0.176 7.224 5.518 789 2HD1 LEU 96 HD12 LEU 96 1.242 8.586 5.864 790 3HD1 LEU 96 HD13 LEU 96 1.453 7.656 4.381 791 1HD2 LEU 96 HD21 LEU 96 -0.488 7.600 2.743 792 2HD2 LEU 96 HD22 LEU 96 0.685 8.879 2.426 793 3HD2 LEU 96 HD23 LEU 96 -1.042 9.240 2.399 794 H ILE 97 HN ILE 97 -2.246 6.514 6.172 795 HA ILE 97 HA ILE 97 -4.927 5.699 6.686 796 HB ILE 97 HB ILE 97 -2.253 5.130 7.794 797 1HG1 ILE 97 HG12 ILE 97 -3.256 2.813 7.836 798 2HG1 ILE 97 HG11 ILE 97 -4.732 3.518 7.177 799 1HG2 ILE 97 HG21 ILE 97 -3.160 5.752 9.876 800 2HG2 ILE 97 HG22 ILE 97 -3.287 3.993 9.808 801 3HG2 ILE 97 HG23 ILE 97 -4.712 4.992 9.517 802 1HD1 ILE 97 HD11 ILE 97 -2.088 3.847 5.807 803 2HD1 ILE 97 HD12 ILE 97 -3.710 4.033 5.142 804 3HD1 ILE 97 HD13 ILE 97 -3.105 2.429 5.549 805 H THR 98 HN THR 98 -6.436 6.784 7.774 806 HA THR 98 HA THR 98 -5.608 8.956 9.560 807 HB THR 98 HB THR 98 -8.460 8.813 9.200 808 HG1 THR 98 HG1 THR 98 -8.600 8.380 7.140 809 1HG2 THR 98 HG21 THR 98 -8.248 11.079 8.733 810 2HG2 THR 98 HG22 THR 98 -6.666 10.879 7.981 811 3HG2 THR 98 HG23 THR 98 -6.830 10.767 9.733 812 H LYS 99 HN LYS 99 -6.217 9.070 11.667 813 HA LYS 99 HA LYS 99 -6.348 6.959 13.297 814 1HB LYS 99 HB2 LYS 99 -7.905 8.555 14.763 815 2HB LYS 99 HB1 LYS 99 -6.193 8.865 14.518 816 1HG LYS 99 HG2 LYS 99 -6.803 10.366 12.626 817 2HG LYS 99 HG1 LYS 99 -8.496 10.145 13.068 818 1HD LYS 99 HD2 LYS 99 -6.957 10.838 15.390 819 2HD LYS 99 HD1 LYS 99 -6.676 12.017 14.107 820 1HE LYS 99 HE2 LYS 99 -8.943 12.585 13.977 821 2HE LYS 99 HE1 LYS 99 -9.447 11.131 14.838 822 1HZ LYS 99 HZ1 LYS 99 -8.968 12.042 16.846 823 2HZ LYS 99 HZ2 LYS 99 -9.328 13.468 16.013 824 3HZ LYS 99 HZ3 LYS 99 -7.717 13.017 16.253 825 H GLU 100 HN GLU 100 -9.409 8.698 13.162 826 HA GLU 100 HA GLU 100 -10.985 6.560 13.922 827 1HB GLU 100 HB2 GLU 100 -11.751 8.849 14.040 828 2HB GLU 100 HB1 GLU 100 -11.746 8.980 12.286 829 1HG GLU 100 HG2 GLU 100 -13.624 7.641 12.055 830 2HG GLU 100 HG1 GLU 100 -13.427 6.919 13.652 831 H GLU 101 HN GLU 101 -9.637 7.191 10.815 832 HA GLU 101 HA GLU 101 -11.511 5.767 9.244 833 1HB GLU 101 HB2 GLU 101 -9.537 7.372 8.572 834 2HB GLU 101 HB1 GLU 101 -8.620 5.872 8.492 835 1HG GLU 101 HG2 GLU 101 -10.717 5.123 7.047 836 2HG GLU 101 HG1 GLU 101 -10.806 6.862 6.760 837 H ALA 102 HN ALA 102 -10.196 4.502 11.754 838 HA ALA 102 HA ALA 102 -9.574 1.916 10.487 839 1HB ALA 102 HB1 ALA 102 -7.591 2.917 11.537 840 2HB ALA 102 HB2 ALA 102 -8.075 1.418 12.330 841 3HB ALA 102 HB3 ALA 102 -8.447 2.972 13.077 842 H SER 103 HN SER 103 -10.542 3.262 13.648 843 HA SER 103 HA SER 103 -13.027 2.042 13.830 844 1HB SER 103 HB2 SER 103 -10.870 0.184 14.256 845 2HB SER 103 HB1 SER 103 -11.770 0.393 15.758 846 HG SER 103 HG SER 103 -12.805 -1.190 14.630 847 H GLY 104 HN GLY 104 -10.106 2.893 15.605 848 1HA GLY 104 HA2 GLY 104 -11.202 4.958 17.088 849 2HA GLY 104 HA1 GLY 104 -11.390 3.507 18.068 850 H SER 105 HN SER 105 -8.794 4.431 15.867 851 HA SER 105 HA SER 105 -6.926 4.373 18.147 852 1HB SER 105 HB2 SER 105 -6.923 2.521 16.181 853 2HB SER 105 HB1 SER 105 -5.849 3.728 15.471 854 HG SER 105 HG SER 105 -5.475 2.924 18.136 855 H SER 106 HN SER 106 -5.699 6.041 18.485 856 HA SER 106 HA SER 106 -6.042 8.401 16.990 857 1HB SER 106 HB2 SER 106 -4.040 9.175 18.408 858 2HB SER 106 HB1 SER 106 -5.500 8.691 19.272 859 HG SER 106 HG SER 106 -4.097 7.486 20.306 860 H VAL 107 HN VAL 107 -4.773 9.383 15.551 861 HA VAL 107 HA VAL 107 -2.309 8.097 14.659 862 HB VAL 107 HB VAL 107 -4.728 8.523 12.945 863 1HG1 VAL 107 HG11 VAL 107 -1.905 8.993 12.154 864 2HG1 VAL 107 HG12 VAL 107 -3.388 9.733 11.549 865 3HG1 VAL 107 HG13 VAL 107 -2.937 8.108 11.031 866 1HG2 VAL 107 HG21 VAL 107 -4.001 6.299 13.918 867 2HG2 VAL 107 HG22 VAL 107 -2.625 6.384 12.817 868 3HG2 VAL 107 HG23 VAL 107 -4.269 6.343 12.176 869 H THR 108 HN THR 108 -0.785 9.460 13.975 870 HA THR 108 HA THR 108 -0.805 12.096 14.816 871 HB THR 108 HB THR 108 0.967 11.459 12.541 872 HG1 THR 108 HG1 THR 108 1.322 9.507 13.308 873 1HG2 THR 108 HG21 THR 108 1.338 12.503 15.345 874 2HG2 THR 108 HG22 THR 108 1.399 13.426 13.844 875 3HG2 THR 108 HG23 THR 108 2.663 12.251 14.208 876 H ALA 109 HN ALA 109 -0.897 14.064 13.774 877 HA ALA 109 HA ALA 109 -2.691 14.216 11.514 878 1HB ALA 109 HB1 ALA 109 -2.729 16.585 11.924 879 2HB ALA 109 HB2 ALA 109 -1.324 16.470 12.984 880 3HB ALA 109 HB3 ALA 109 -2.858 15.749 13.472 881 H GLU 110 HN GLU 110 0.583 13.938 11.962 882 HA GLU 110 HA GLU 110 1.427 15.584 9.720 883 1HB GLU 110 HB2 GLU 110 2.703 14.387 12.014 884 2HB GLU 110 HB1 GLU 110 3.550 13.925 10.544 885 1HG GLU 110 HG2 GLU 110 4.130 16.100 10.035 886 2HG GLU 110 HG1 GLU 110 2.836 16.784 11.019 887 H GLU 111 HN GLU 111 0.298 12.464 10.302 888 HA GLU 111 HA GLU 111 1.737 11.179 8.148 889 1HB GLU 111 HB2 GLU 111 1.294 9.646 9.827 890 2HB GLU 111 HB1 GLU 111 -0.295 10.320 10.169 891 1HG GLU 111 HG2 GLU 111 -1.274 9.240 8.353 892 2HG GLU 111 HG1 GLU 111 0.281 8.900 7.597 893 H ALA 112 HN ALA 112 -1.623 12.200 8.798 894 HA ALA 112 HA ALA 112 -2.388 11.506 6.096 895 1HB ALA 112 HB1 ALA 112 -4.024 10.906 7.623 896 2HB ALA 112 HB2 ALA 112 -4.643 12.406 6.933 897 3HB ALA 112 HB3 ALA 112 -3.877 12.418 8.523 898 H LYS 113 HN LYS 113 -2.098 14.460 8.060 899 HA LYS 113 HA LYS 113 -3.071 16.116 5.913 900 1HB LYS 113 HB2 LYS 113 -1.733 17.046 8.444 901 2HB LYS 113 HB1 LYS 113 -2.817 17.956 7.402 902 1HG LYS 113 HG2 LYS 113 -4.601 16.270 7.992 903 2HG LYS 113 HG1 LYS 113 -3.494 15.671 9.230 904 1HD LYS 113 HD2 LYS 113 -3.866 17.429 10.578 905 2HD LYS 113 HD1 LYS 113 -3.846 18.579 9.240 906 1HE LYS 113 HE2 LYS 113 -6.052 18.749 9.466 907 2HE LYS 113 HE1 LYS 113 -6.173 17.094 8.871 908 1HZ LYS 113 HZ1 LYS 113 -7.255 17.659 11.098 909 2HZ LYS 113 HZ2 LYS 113 -5.686 17.649 11.730 910 3HZ LYS 113 HZ3 LYS 113 -6.318 16.253 11.014 911 H LYS 114 HN LYS 114 0.126 15.652 7.462 912 HA LYS 114 HA LYS 114 1.430 17.611 5.921 913 1HB LYS 114 HB2 LYS 114 2.066 15.781 7.971 914 2HB LYS 114 HB1 LYS 114 3.208 15.503 6.672 915 1HG LYS 114 HG2 LYS 114 3.934 17.131 8.408 916 2HG LYS 114 HG1 LYS 114 3.981 17.747 6.756 917 1HD LYS 114 HD2 LYS 114 1.973 18.997 7.097 918 2HD LYS 114 HD1 LYS 114 1.684 18.215 8.653 919 1HE LYS 114 HE2 LYS 114 3.940 20.097 7.970 920 2HE LYS 114 HE1 LYS 114 2.550 20.450 8.996 921 1HZ LYS 114 HZ1 LYS 114 4.636 18.413 9.564 922 2HZ LYS 114 HZ2 LYS 114 3.312 18.771 10.552 923 3HZ LYS 114 HZ3 LYS 114 4.517 19.931 10.301 924 H PHE 115 HN PHE 115 0.781 14.206 5.345 925 HA PHE 115 HA PHE 115 2.559 13.901 3.159 926 1HB PHE 115 HB2 PHE 115 0.285 12.360 4.297 927 2HB PHE 115 HB1 PHE 115 0.752 12.005 2.635 928 HD1 PHE 115 HD1 PHE 115 2.461 12.605 5.906 929 HD2 PHE 115 HD2 PHE 115 2.188 10.257 2.369 930 HE1 PHE 115 HE1 PHE 115 4.272 11.158 6.731 931 HE2 PHE 115 HE2 PHE 115 3.997 8.807 3.186 932 HZ PHE 115 HZ PHE 115 5.039 9.254 5.370 933 H LEU 116 HN LEU 116 -0.925 14.595 3.330 934 HA LEU 116 HA LEU 116 -0.843 15.307 0.475 935 1HB LEU 116 HB2 LEU 116 -3.167 14.481 2.212 936 2HB LEU 116 HB1 LEU 116 -3.324 15.034 0.556 937 HG LEU 116 HG LEU 116 -1.492 13.004 0.310 938 1HD1 LEU 116 HD11 LEU 116 -1.722 12.264 2.575 939 2HD1 LEU 116 HD12 LEU 116 -2.524 11.096 1.524 940 3HD1 LEU 116 HD13 LEU 116 -3.481 12.256 2.445 941 1HD2 LEU 116 HD21 LEU 116 -3.103 11.995 -0.976 942 2HD2 LEU 116 HD22 LEU 116 -3.741 13.636 -0.884 943 3HD2 LEU 116 HD23 LEU 116 -4.401 12.374 0.155 944 H ALA 117 HN ALA 117 0.200 17.300 1.651 945 HA ALA 117 HA ALA 117 -1.709 19.140 2.795 946 1HB ALA 117 HB1 ALA 117 0.284 20.716 2.719 947 2HB ALA 117 HB2 ALA 117 1.217 19.339 2.134 948 3HB ALA 117 HB3 ALA 117 0.452 19.275 3.721 949 HA PRO 118 HA PRO 118 -2.970 21.198 -0.900 950 1HB PRO 118 HB2 PRO 118 -3.176 23.781 -0.052 951 2HB PRO 118 HB1 PRO 118 -4.350 22.526 0.362 952 1HG PRO 118 HG2 PRO 118 -2.069 23.595 1.979 953 2HG PRO 118 HG1 PRO 118 -3.723 23.215 2.492 954 1HD PRO 118 HD2 PRO 118 -1.656 21.548 2.965 955 2HD PRO 118 HD1 PRO 118 -3.294 20.949 2.632 956 H LYS 119 HN LYS 119 -0.166 22.399 0.818 957 HA LYS 119 HA LYS 119 0.825 23.606 -1.681 958 1HB LYS 119 HB2 LYS 119 0.964 24.435 1.129 959 2HB LYS 119 HB1 LYS 119 2.507 24.519 0.290 960 1HG LYS 119 HG2 LYS 119 1.443 25.894 -1.460 961 2HG LYS 119 HG1 LYS 119 -0.057 25.866 -0.532 962 1HD LYS 119 HD2 LYS 119 1.252 26.853 1.387 963 2HD LYS 119 HD1 LYS 119 2.579 27.096 0.248 964 1HE LYS 119 HE2 LYS 119 1.203 28.525 -1.118 965 2HE LYS 119 HE1 LYS 119 -0.206 28.193 -0.113 966 1HZ LYS 119 HZ1 LYS 119 0.913 29.271 1.741 967 2HZ LYS 119 HZ2 LYS 119 0.771 30.328 0.429 968 3HZ LYS 119 HZ3 LYS 119 2.258 29.599 0.767 969 H ASP 120 HN ASP 120 1.060 20.874 0.095 970 HA ASP 120 HA ASP 120 3.657 20.229 -1.048 971 1HB ASP 120 HB2 ASP 120 3.064 20.169 1.907 972 2HB ASP 120 HB1 ASP 120 4.325 19.171 1.191 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -3.313 -13.243 -15.204 2 2H GLY 1 HT2 GLY 1 -2.949 -11.744 -14.511 3 3H GLY 1 HT3 GLY 1 -2.325 -12.146 -16.032 4 1HA GLY 1 HA1 GLY 1 -4.343 -10.575 -15.899 5 2HA GLY 1 HA2 GLY 1 -4.309 -11.842 -17.116 6 HA PRO 2 HA PRO 2 -8.085 -13.644 -15.764 7 1HB PRO 2 HB2 PRO 2 -6.711 -16.198 -15.120 8 2HB PRO 2 HB1 PRO 2 -8.067 -15.893 -16.209 9 1HG PRO 2 HG2 PRO 2 -5.632 -16.394 -17.170 10 2HG PRO 2 HG1 PRO 2 -6.693 -15.201 -17.942 11 1HD PRO 2 HD2 PRO 2 -4.336 -14.769 -16.154 12 2HD PRO 2 HD1 PRO 2 -4.852 -13.849 -17.582 13 H VAL 3 HN VAL 3 -5.308 -14.182 -13.678 14 HA VAL 3 HA VAL 3 -7.095 -14.391 -11.350 15 HB VAL 3 HB VAL 3 -4.135 -14.949 -11.338 16 1HG1 VAL 3 HG11 VAL 3 -6.343 -15.963 -9.555 17 2HG1 VAL 3 HG12 VAL 3 -5.316 -14.577 -9.183 18 3HG1 VAL 3 HG13 VAL 3 -4.608 -16.185 -9.335 19 1HG2 VAL 3 HG21 VAL 3 -4.670 -17.325 -11.608 20 2HG2 VAL 3 HG22 VAL 3 -5.141 -16.390 -13.027 21 3HG2 VAL 3 HG23 VAL 3 -6.365 -16.912 -11.870 22 H ASN 4 HN ASN 4 -6.916 -12.995 -9.630 23 HA ASN 4 HA ASN 4 -5.247 -10.618 -10.098 24 1HB ASN 4 HB2 ASN 4 -7.884 -10.563 -9.916 25 2HB ASN 4 HB1 ASN 4 -7.544 -10.586 -8.186 26 1HD2 ASN 4 HD21 ASN 4 -6.938 -8.758 -7.208 27 2HD2 ASN 4 HD22 ASN 4 -6.641 -7.258 -8.012 28 HA PRO 5 HA PRO 5 -2.840 -11.716 -6.535 29 1HB PRO 5 HB2 PRO 5 -2.378 -8.816 -6.214 30 2HB PRO 5 HB1 PRO 5 -1.214 -10.118 -6.479 31 1HG PRO 5 HG2 PRO 5 -1.802 -8.366 -8.414 32 2HG PRO 5 HG1 PRO 5 -1.485 -10.075 -8.775 33 1HD PRO 5 HD2 PRO 5 -4.101 -8.625 -8.600 34 2HD PRO 5 HD1 PRO 5 -3.571 -9.857 -9.765 35 H ALA 6 HN ALA 6 -5.063 -8.962 -6.330 36 HA ALA 6 HA ALA 6 -5.167 -8.892 -3.490 37 1HB ALA 6 HB1 ALA 6 -6.001 -6.916 -4.110 38 2HB ALA 6 HB2 ALA 6 -7.530 -7.765 -4.342 39 3HB ALA 6 HB3 ALA 6 -6.446 -7.511 -5.710 40 H GLU 7 HN GLU 7 -6.921 -10.645 -5.949 41 HA GLU 7 HA GLU 7 -9.056 -11.504 -4.258 42 1HB GLU 7 HB2 GLU 7 -8.095 -12.149 -6.998 43 2HB GLU 7 HB1 GLU 7 -9.111 -13.342 -6.200 44 1HG GLU 7 HG2 GLU 7 -10.788 -11.532 -5.809 45 2HG GLU 7 HG1 GLU 7 -9.795 -10.482 -6.820 46 H ASN 8 HN ASN 8 -6.160 -13.132 -5.539 47 HA ASN 8 HA ASN 8 -6.533 -15.542 -4.128 48 1HB ASN 8 HB2 ASN 8 -4.872 -14.803 -6.101 49 2HB ASN 8 HB1 ASN 8 -3.760 -14.666 -4.742 50 1HD2 ASN 8 HD21 ASN 8 -2.773 -16.440 -4.076 51 2HD2 ASN 8 HD22 ASN 8 -3.205 -18.056 -4.506 52 H PHE 9 HN PHE 9 -5.250 -12.468 -3.198 53 HA PHE 9 HA PHE 9 -3.797 -13.390 -0.912 54 1HB PHE 9 HB2 PHE 9 -3.058 -11.327 -1.766 55 2HB PHE 9 HB1 PHE 9 -4.693 -10.689 -1.887 56 HD1 PHE 9 HD1 PHE 9 -2.206 -11.833 0.638 57 HD2 PHE 9 HD2 PHE 9 -5.476 -9.261 -0.255 58 HE1 PHE 9 HE1 PHE 9 -1.931 -10.733 2.821 59 HE2 PHE 9 HE2 PHE 9 -5.207 -8.156 1.926 60 HZ PHE 9 HZ PHE 9 -3.434 -8.890 3.467 61 H ARG 10 HN ARG 10 -6.865 -11.615 -1.289 62 HA ARG 10 HA ARG 10 -7.638 -11.602 1.376 63 1HB ARG 10 HB2 ARG 10 -9.127 -11.481 -1.213 64 2HB ARG 10 HB1 ARG 10 -10.034 -11.643 0.285 65 1HG ARG 10 HG2 ARG 10 -9.055 -9.599 1.135 66 2HG ARG 10 HG1 ARG 10 -8.059 -9.450 -0.314 67 1HD ARG 10 HD2 ARG 10 -10.099 -9.280 -1.676 68 2HD ARG 10 HD1 ARG 10 -11.074 -9.387 -0.208 69 HE ARG 10 HE ARG 10 -9.136 -7.204 -0.555 70 1HH1 ARG 10 HH11 ARG 10 -12.404 -8.321 -0.091 71 2HH1 ARG 10 HH12 ARG 10 -13.032 -6.743 0.247 72 1HH2 ARG 10 HH21 ARG 10 -9.954 -5.122 -0.111 73 2HH2 ARG 10 HH22 ARG 10 -11.640 -4.925 0.235 74 H VAL 11 HN VAL 11 -7.779 -14.164 -0.980 75 HA VAL 11 HA VAL 11 -9.495 -15.827 0.661 76 HB VAL 11 HB VAL 11 -7.989 -16.515 -1.867 77 1HG1 VAL 11 HG11 VAL 11 -10.032 -18.008 -0.247 78 2HG1 VAL 11 HG12 VAL 11 -8.437 -18.547 -0.773 79 3HG1 VAL 11 HG13 VAL 11 -9.738 -18.362 -1.949 80 1HG2 VAL 11 HG21 VAL 11 -9.833 -15.925 -3.101 81 2HG2 VAL 11 HG22 VAL 11 -9.894 -14.710 -1.825 82 3HG2 VAL 11 HG23 VAL 11 -10.941 -16.127 -1.743 83 H LEU 12 HN LEU 12 -6.104 -15.813 -0.392 84 HA LEU 12 HA LEU 12 -5.243 -18.149 0.809 85 1HB LEU 12 HB2 LEU 12 -3.926 -16.664 -0.726 86 2HB LEU 12 HB1 LEU 12 -3.637 -15.602 0.642 87 HG LEU 12 HG LEU 12 -2.662 -17.743 1.769 88 1HD1 LEU 12 HD11 LEU 12 -1.725 -19.356 0.275 89 2HD1 LEU 12 HD12 LEU 12 -2.291 -18.457 -1.134 90 3HD1 LEU 12 HD13 LEU 12 -3.451 -19.238 -0.061 91 1HD2 LEU 12 HD21 LEU 12 -1.129 -16.070 1.475 92 2HD2 LEU 12 HD22 LEU 12 -1.440 -15.936 -0.256 93 3HD2 LEU 12 HD23 LEU 12 -0.482 -17.279 0.367 94 H VAL 13 HN VAL 13 -5.859 -15.010 2.249 95 HA VAL 13 HA VAL 13 -4.638 -15.726 4.769 96 HB VAL 13 HB VAL 13 -5.776 -13.616 5.605 97 1HG1 VAL 13 HG11 VAL 13 -4.158 -12.168 4.586 98 2HG1 VAL 13 HG12 VAL 13 -3.968 -13.268 3.220 99 3HG1 VAL 13 HG13 VAL 13 -3.423 -13.753 4.825 100 1HG2 VAL 13 HG21 VAL 13 -6.982 -13.813 2.981 101 2HG2 VAL 13 HG22 VAL 13 -6.183 -12.260 3.221 102 3HG2 VAL 13 HG23 VAL 13 -7.423 -12.797 4.354 103 H LYS 14 HN LYS 14 -7.965 -15.214 3.626 104 HA LYS 14 HA LYS 14 -9.076 -16.249 6.075 105 1HB LYS 14 HB2 LYS 14 -10.190 -15.238 3.487 106 2HB LYS 14 HB1 LYS 14 -11.222 -16.189 4.546 107 1HG LYS 14 HG2 LYS 14 -10.477 -14.520 6.376 108 2HG LYS 14 HG1 LYS 14 -10.004 -13.502 5.014 109 1HD LYS 14 HD2 LYS 14 -12.306 -13.716 4.117 110 2HD LYS 14 HD1 LYS 14 -12.752 -14.624 5.563 111 1HE LYS 14 HE2 LYS 14 -13.412 -12.293 5.776 112 2HE LYS 14 HE1 LYS 14 -12.159 -12.694 6.951 113 1HZ LYS 14 HZ1 LYS 14 -11.584 -10.622 6.021 114 2HZ LYS 14 HZ2 LYS 14 -11.860 -11.152 4.438 115 3HZ LYS 14 HZ3 LYS 14 -10.538 -11.745 5.310 116 H GLN 15 HN GLN 15 -7.288 -18.050 4.835 117 HA GLN 15 HA GLN 15 -8.867 -20.055 3.474 118 1HB GLN 15 HB2 GLN 15 -6.031 -19.509 3.898 119 2HB GLN 15 HB1 GLN 15 -6.428 -21.215 4.067 120 1HG GLN 15 HG2 GLN 15 -7.464 -19.715 1.714 121 2HG GLN 15 HG1 GLN 15 -5.770 -20.203 1.747 122 1HE2 GLN 15 HE21 GLN 15 -9.074 -21.306 1.700 123 2HE2 GLN 15 HE22 GLN 15 -8.734 -22.933 1.231 124 H LYS 16 HN LYS 16 -7.073 -19.826 6.572 125 HA LYS 16 HA LYS 16 -8.960 -21.141 8.105 126 1HB LYS 16 HB2 LYS 16 -7.892 -23.392 8.376 127 2HB LYS 16 HB1 LYS 16 -8.668 -23.138 6.819 128 1HG LYS 16 HG2 LYS 16 -6.685 -23.110 5.677 129 2HG LYS 16 HG1 LYS 16 -5.761 -22.560 7.076 130 1HD LYS 16 HD2 LYS 16 -5.219 -24.654 7.590 131 2HD LYS 16 HD1 LYS 16 -6.921 -25.115 7.643 132 1HE LYS 16 HE2 LYS 16 -6.582 -25.025 4.991 133 2HE LYS 16 HE1 LYS 16 -4.931 -25.418 5.472 134 1HZ LYS 16 HZ1 LYS 16 -7.369 -27.012 5.718 135 2HZ LYS 16 HZ2 LYS 16 -6.208 -27.176 6.936 136 3HZ LYS 16 HZ3 LYS 16 -5.796 -27.496 5.328 137 H LYS 17 HN LYS 17 -5.493 -20.754 7.512 138 HA LYS 17 HA LYS 17 -5.204 -20.196 10.374 139 1HB LYS 17 HB2 LYS 17 -3.014 -21.522 8.804 140 2HB LYS 17 HB1 LYS 17 -3.189 -21.400 10.549 141 1HG LYS 17 HG2 LYS 17 -5.358 -22.827 9.175 142 2HG LYS 17 HG1 LYS 17 -3.775 -23.602 9.104 143 1HD LYS 17 HD2 LYS 17 -3.835 -22.935 11.704 144 2HD LYS 17 HD1 LYS 17 -5.564 -23.134 11.410 145 1HE LYS 17 HE2 LYS 17 -4.458 -25.208 12.191 146 2HE LYS 17 HE1 LYS 17 -5.223 -25.377 10.611 147 1HZ LYS 17 HZ1 LYS 17 -2.889 -26.319 10.917 148 2HZ LYS 17 HZ2 LYS 17 -2.355 -24.716 10.855 149 3HZ LYS 17 HZ3 LYS 17 -3.177 -25.384 9.537 150 H ALA 18 HN ALA 18 -4.231 -19.440 7.110 151 HA ALA 18 HA ALA 18 -2.056 -17.783 7.556 152 1HB ALA 18 HB1 ALA 18 -2.667 -16.658 5.461 153 2HB ALA 18 HB2 ALA 18 -4.241 -17.453 5.505 154 3HB ALA 18 HB3 ALA 18 -2.771 -18.413 5.326 155 H SER 19 HN SER 19 -2.004 -16.314 9.144 156 HA SER 19 HA SER 19 -4.324 -14.692 9.760 157 1HB SER 19 HB2 SER 19 -2.580 -15.714 11.424 158 2HB SER 19 HB1 SER 19 -1.633 -14.280 11.019 159 HG SER 19 HG SER 19 -3.195 -14.193 12.871 160 H PHE 20 HN PHE 20 -0.901 -13.842 9.209 161 HA PHE 20 HA PHE 20 -1.337 -12.016 7.140 162 1HB PHE 20 HB2 PHE 20 -2.393 -10.986 9.439 163 2HB PHE 20 HB1 PHE 20 -0.762 -10.327 9.487 164 HD1 PHE 20 HD1 PHE 20 -0.371 -8.323 8.443 165 HD2 PHE 20 HD2 PHE 20 -3.599 -10.750 7.101 166 HE1 PHE 20 HE1 PHE 20 -1.040 -6.554 6.870 167 HE2 PHE 20 HE2 PHE 20 -4.273 -8.986 5.522 168 HZ PHE 20 HZ PHE 20 -2.992 -6.885 5.406 169 H GLU 21 HN GLU 21 0.585 -13.920 7.658 170 HA GLU 21 HA GLU 21 2.996 -12.282 8.100 171 1HB GLU 21 HB2 GLU 21 2.208 -14.489 9.573 172 2HB GLU 21 HB1 GLU 21 3.381 -15.153 8.446 173 1HG GLU 21 HG2 GLU 21 4.991 -13.419 9.169 174 2HG GLU 21 HG1 GLU 21 3.818 -12.880 10.370 175 H GLU 22 HN GLU 22 2.263 -15.491 6.726 176 HA GLU 22 HA GLU 22 4.286 -15.310 4.754 177 1HB GLU 22 HB2 GLU 22 1.976 -17.154 5.244 178 2HB GLU 22 HB1 GLU 22 2.867 -17.258 3.732 179 1HG GLU 22 HG2 GLU 22 4.958 -17.468 5.158 180 2HG GLU 22 HG1 GLU 22 3.867 -17.726 6.519 181 H ALA 23 HN ALA 23 0.783 -14.810 4.661 182 HA ALA 23 HA ALA 23 0.617 -14.347 1.873 183 1HB ALA 23 HB1 ALA 23 -1.288 -14.960 3.375 184 2HB ALA 23 HB2 ALA 23 -1.615 -13.619 2.277 185 3HB ALA 23 HB3 ALA 23 -1.267 -13.302 3.976 186 H SER 24 HN SER 24 1.378 -12.284 4.598 187 HA SER 24 HA SER 24 0.992 -9.817 3.212 188 1HB SER 24 HB2 SER 24 2.646 -10.361 5.689 189 2HB SER 24 HB1 SER 24 2.057 -8.790 5.145 190 HG SER 24 HG SER 24 0.398 -10.984 5.847 191 H ASN 25 HN ASN 25 3.937 -11.496 4.325 192 HA ASN 25 HA ASN 25 5.811 -9.893 3.080 193 1HB ASN 25 HB2 ASN 25 5.771 -12.740 3.964 194 2HB ASN 25 HB1 ASN 25 7.105 -12.216 2.943 195 1HD2 ASN 25 HD21 ASN 25 5.677 -12.096 6.055 196 2HD2 ASN 25 HD22 ASN 25 6.910 -11.168 6.831 197 H GLN 26 HN GLN 26 4.070 -12.684 1.773 198 HA GLN 26 HA GLN 26 5.400 -12.821 -0.697 199 1HB GLN 26 HB2 GLN 26 3.640 -14.416 0.463 200 2HB GLN 26 HB1 GLN 26 2.497 -13.498 -0.509 201 1HG GLN 26 HG2 GLN 26 3.019 -15.362 -1.805 202 2HG GLN 26 HG1 GLN 26 3.987 -14.056 -2.494 203 1HE2 GLN 26 HE21 GLN 26 4.013 -17.079 -0.856 204 2HE2 GLN 26 HE22 GLN 26 5.723 -17.323 -0.872 205 H LEU 27 HN LEU 27 2.394 -11.164 0.226 206 HA LEU 27 HA LEU 27 1.744 -10.092 -2.253 207 1HB LEU 27 HB2 LEU 27 0.616 -10.008 0.195 208 2HB LEU 27 HB1 LEU 27 1.260 -8.377 0.111 209 HG LEU 27 HG LEU 27 -1.090 -8.494 -0.605 210 1HD1 LEU 27 HD11 LEU 27 0.349 -7.894 -3.124 211 2HD1 LEU 27 HD12 LEU 27 0.824 -7.001 -1.679 212 3HD1 LEU 27 HD13 LEU 27 -0.846 -6.942 -2.243 213 1HD2 LEU 27 HD21 LEU 27 -1.878 -9.807 -2.302 214 2HD2 LEU 27 HD22 LEU 27 -0.619 -10.861 -1.658 215 3HD2 LEU 27 HD23 LEU 27 -0.312 -9.903 -3.107 216 H ILE 28 HN ILE 28 3.760 -8.687 0.337 217 HA ILE 28 HA ILE 28 4.329 -6.292 -1.033 218 HB ILE 28 HB ILE 28 4.822 -7.218 1.490 219 1HG1 ILE 28 HG12 ILE 28 6.226 -5.036 1.656 220 2HG1 ILE 28 HG11 ILE 28 5.803 -4.831 -0.043 221 1HG2 ILE 28 HG21 ILE 28 7.547 -6.861 0.267 222 2HG2 ILE 28 HG22 ILE 28 6.829 -8.439 0.586 223 3HG2 ILE 28 HG23 ILE 28 7.149 -7.331 1.919 224 1HD1 ILE 28 HD11 ILE 28 4.243 -4.310 2.310 225 2HD1 ILE 28 HD12 ILE 28 3.406 -5.436 1.240 226 3HD1 ILE 28 HD13 ILE 28 3.932 -3.865 0.632 227 H ASN 29 HN ASN 29 5.817 -9.468 -1.074 228 HA ASN 29 HA ASN 29 8.199 -8.751 -2.415 229 1HB ASN 29 HB2 ASN 29 7.310 -11.033 -1.259 230 2HB ASN 29 HB1 ASN 29 7.057 -11.432 -2.955 231 1HD2 ASN 29 HD21 ASN 29 9.526 -9.918 -0.903 232 2HD2 ASN 29 HD22 ASN 29 10.869 -10.722 -1.636 233 H HIS 30 HN HIS 30 5.048 -9.901 -3.554 234 HA HIS 30 HA HIS 30 5.657 -10.018 -6.288 235 1HB HIS 30 HB2 HIS 30 3.383 -10.414 -4.682 236 2HB HIS 30 HB1 HIS 30 2.930 -9.164 -5.839 237 HD1 HIS 30 HD1 HIS 30 4.773 -12.497 -6.079 238 HD2 HIS 30 HD2 HIS 30 1.846 -10.288 -8.032 239 HE1 HIS 30 HE1 HIS 30 4.042 -13.919 -8.021 240 HE2 HIS 30 HE2 HIS 30 2.336 -12.522 -9.240 241 H ILE 31 HN ILE 31 4.343 -7.407 -4.285 242 HA ILE 31 HA ILE 31 3.958 -5.501 -6.287 243 HB ILE 31 HB ILE 31 4.747 -5.091 -3.398 244 1HG1 ILE 31 HG12 ILE 31 2.054 -4.789 -4.745 245 2HG1 ILE 31 HG11 ILE 31 2.562 -6.236 -3.875 246 1HG2 ILE 31 HG21 ILE 31 5.360 -3.106 -4.565 247 2HG2 ILE 31 HG22 ILE 31 3.838 -2.782 -3.736 248 3HG2 ILE 31 HG23 ILE 31 3.846 -3.100 -5.470 249 1HD1 ILE 31 HD11 ILE 31 1.409 -5.185 -2.229 250 2HD1 ILE 31 HD12 ILE 31 1.777 -3.573 -2.842 251 3HD1 ILE 31 HD13 ILE 31 3.000 -4.478 -1.950 252 H GLU 32 HN GLU 32 6.801 -6.028 -4.207 253 HA GLU 32 HA GLU 32 8.450 -4.072 -5.297 254 1HB GLU 32 HB2 GLU 32 9.096 -6.729 -4.025 255 2HB GLU 32 HB1 GLU 32 10.338 -5.576 -4.494 256 1HG GLU 32 HG2 GLU 32 9.329 -3.908 -3.004 257 2HG GLU 32 HG1 GLU 32 8.126 -5.101 -2.508 258 H GLN 33 HN GLN 33 8.129 -7.489 -6.215 259 HA GLN 33 HA GLN 33 10.060 -7.605 -8.195 260 1HB GLN 33 HB2 GLN 33 7.451 -9.045 -7.818 261 2HB GLN 33 HB1 GLN 33 8.447 -9.352 -9.235 262 1HG GLN 33 HG2 GLN 33 9.712 -9.498 -6.550 263 2HG GLN 33 HG1 GLN 33 8.658 -10.814 -7.066 264 1HE2 GLN 33 HE21 GLN 33 9.552 -12.384 -8.196 265 2HE2 GLN 33 HE22 GLN 33 11.061 -12.303 -9.032 266 H PHE 34 HN PHE 34 6.624 -6.764 -8.521 267 HA PHE 34 HA PHE 34 6.557 -6.278 -11.240 268 1HB PHE 34 HB2 PHE 34 4.987 -5.288 -8.915 269 2HB PHE 34 HB1 PHE 34 4.807 -4.420 -10.437 270 HD1 PHE 34 HD1 PHE 34 2.978 -5.036 -11.651 271 HD2 PHE 34 HD2 PHE 34 5.022 -8.002 -9.385 272 HE1 PHE 34 HE1 PHE 34 1.378 -6.733 -12.436 273 HE2 PHE 34 HE2 PHE 34 3.426 -9.704 -10.167 274 HZ PHE 34 HZ PHE 34 1.601 -9.071 -11.694 275 H LEU 35 HN LEU 35 7.488 -4.059 -8.623 276 HA LEU 35 HA LEU 35 7.845 -1.759 -10.202 277 1HB LEU 35 HB2 LEU 35 9.015 -2.651 -7.579 278 2HB LEU 35 HB1 LEU 35 9.456 -1.117 -8.308 279 HG LEU 35 HG LEU 35 6.562 -1.721 -7.916 280 1HD1 LEU 35 HD11 LEU 35 8.402 -0.772 -5.725 281 2HD1 LEU 35 HD12 LEU 35 7.586 -2.335 -5.784 282 3HD1 LEU 35 HD13 LEU 35 6.642 -0.852 -5.644 283 1HD2 LEU 35 HD21 LEU 35 7.999 0.859 -7.434 284 2HD2 LEU 35 HD22 LEU 35 6.320 0.587 -7.900 285 3HD2 LEU 35 HD23 LEU 35 7.614 0.334 -9.072 286 H ASP 36 HN ASP 36 9.646 -4.627 -10.004 287 HA ASP 36 HA ASP 36 12.202 -3.519 -10.744 288 1HB ASP 36 HB2 ASP 36 11.768 -5.723 -9.472 289 2HB ASP 36 HB1 ASP 36 11.433 -6.412 -11.058 290 H THR 37 HN THR 37 9.368 -3.978 -12.385 291 HA THR 37 HA THR 37 10.762 -4.101 -14.968 292 HB THR 37 HB THR 37 8.845 -5.271 -15.933 293 HG1 THR 37 HG1 THR 37 7.205 -6.053 -14.510 294 1HG2 THR 37 HG21 THR 37 9.843 -6.687 -13.459 295 2HG2 THR 37 HG22 THR 37 10.714 -6.585 -14.988 296 3HG2 THR 37 HG23 THR 37 9.176 -7.445 -14.905 297 H ASN 38 HN ASN 38 10.537 -2.278 -16.030 298 HA ASN 38 HA ASN 38 8.603 -0.293 -15.268 299 1HB ASN 38 HB2 ASN 38 11.019 0.072 -16.141 300 2HB ASN 38 HB1 ASN 38 10.310 -0.139 -17.741 301 1HD2 ASN 38 HD21 ASN 38 11.069 2.050 -15.369 302 2HD2 ASN 38 HD22 ASN 38 10.081 3.370 -15.886 303 H GLU 39 HN GLU 39 6.638 0.010 -16.099 304 HA GLU 39 HA GLU 39 5.992 -0.580 -18.824 305 1HB GLU 39 HB2 GLU 39 5.338 -2.514 -16.698 306 2HB GLU 39 HB1 GLU 39 3.992 -2.081 -17.741 307 1HG GLU 39 HG2 GLU 39 6.636 -3.238 -18.591 308 2HG GLU 39 HG1 GLU 39 5.071 -4.050 -18.586 309 H THR 40 HN THR 40 3.659 -0.105 -19.278 310 HA THR 40 HA THR 40 2.916 2.280 -17.838 311 HB THR 40 HB THR 40 1.408 1.012 -20.121 312 HG1 THR 40 HG1 THR 40 3.235 3.118 -20.486 313 1HG2 THR 40 HG21 THR 40 0.585 3.261 -20.506 314 2HG2 THR 40 HG22 THR 40 1.575 3.876 -19.181 315 3HG2 THR 40 HG23 THR 40 0.236 2.778 -18.846 316 HA PRO 41 HA PRO 41 -0.949 -0.231 -16.698 317 1HB PRO 41 HB2 PRO 41 -1.368 -2.703 -17.570 318 2HB PRO 41 HB1 PRO 41 -1.570 -1.317 -18.652 319 1HG PRO 41 HG2 PRO 41 0.684 -3.266 -18.468 320 2HG PRO 41 HG1 PRO 41 -0.040 -2.521 -19.902 321 1HD PRO 41 HD2 PRO 41 2.301 -1.679 -18.617 322 2HD PRO 41 HD1 PRO 41 1.361 -0.738 -19.789 323 H TYR 42 HN TYR 42 2.098 -1.128 -15.986 324 HA TYR 42 HA TYR 42 1.446 -3.368 -14.251 325 1HB TYR 42 HB2 TYR 42 3.616 -3.908 -14.363 326 2HB TYR 42 HB1 TYR 42 3.732 -2.688 -15.620 327 HD1 TYR 42 HD1 TYR 42 4.259 -3.324 -12.013 328 HD2 TYR 42 HD2 TYR 42 4.999 -0.714 -15.287 329 HE1 TYR 42 HE1 TYR 42 5.924 -2.117 -10.668 330 HE2 TYR 42 HE2 TYR 42 6.666 0.500 -13.951 331 HH TYR 42 HH TYR 42 8.146 0.021 -11.985 332 H PHE 43 HN PHE 43 2.210 0.051 -13.987 333 HA PHE 43 HA PHE 43 2.569 0.126 -11.189 334 1HB PHE 43 HB2 PHE 43 1.996 2.141 -13.308 335 2HB PHE 43 HB1 PHE 43 1.701 2.608 -11.635 336 HD1 PHE 43 HD1 PHE 43 3.830 1.465 -10.124 337 HD2 PHE 43 HD2 PHE 43 3.936 3.097 -14.055 338 HE1 PHE 43 HE1 PHE 43 6.221 1.970 -9.846 339 HE2 PHE 43 HE2 PHE 43 6.329 3.602 -13.784 340 HZ PHE 43 HZ PHE 43 7.475 3.036 -11.678 341 H MET 44 HN MET 44 -0.202 -0.321 -13.107 342 HA MET 44 HA MET 44 -2.116 0.740 -11.244 343 1HB MET 44 HB2 MET 44 -2.192 -0.021 -13.906 344 2HB MET 44 HB1 MET 44 -3.126 -1.275 -13.102 345 1HG MET 44 HG2 MET 44 -4.617 0.353 -12.169 346 2HG MET 44 HG1 MET 44 -3.623 1.674 -12.780 347 1HE MET 44 HE1 MET 44 -5.965 2.683 -13.807 348 2HE MET 44 HE2 MET 44 -6.804 1.260 -13.192 349 3HE MET 44 HE3 MET 44 -7.004 1.742 -14.876 350 H LYS 45 HN LYS 45 -0.498 -2.278 -11.767 351 HA LYS 45 HA LYS 45 -2.288 -3.876 -10.204 352 1HB LYS 45 HB2 LYS 45 -0.436 -4.507 -12.030 353 2HB LYS 45 HB1 LYS 45 0.542 -4.712 -10.581 354 1HG LYS 45 HG2 LYS 45 -0.338 -6.716 -10.278 355 2HG LYS 45 HG1 LYS 45 -1.940 -5.993 -10.124 356 1HD LYS 45 HD2 LYS 45 -2.098 -6.021 -12.623 357 2HD LYS 45 HD1 LYS 45 -0.595 -6.945 -12.648 358 1HE LYS 45 HE2 LYS 45 -2.165 -8.299 -10.822 359 2HE LYS 45 HE1 LYS 45 -3.309 -7.811 -12.070 360 1HZ LYS 45 HZ1 LYS 45 -2.014 -8.902 -13.722 361 2HZ LYS 45 HZ2 LYS 45 -2.239 -10.001 -12.455 362 3HZ LYS 45 HZ3 LYS 45 -0.755 -9.211 -12.634 363 H SER 46 HN SER 46 0.599 -1.990 -9.592 364 HA SER 46 HA SER 46 1.182 -3.046 -7.029 365 1HB SER 46 HB2 SER 46 2.132 -0.461 -6.955 366 2HB SER 46 HB1 SER 46 3.013 -1.850 -7.596 367 HG SER 46 HG SER 46 2.616 -1.205 -9.596 368 H ILE 47 HN ILE 47 -0.487 -0.063 -8.039 369 HA ILE 47 HA ILE 47 -1.264 0.790 -5.496 370 HB ILE 47 HB ILE 47 -2.834 1.200 -8.043 371 1HG1 ILE 47 HG12 ILE 47 -0.858 3.194 -7.025 372 2HG1 ILE 47 HG11 ILE 47 -0.254 1.797 -7.912 373 1HG2 ILE 47 HG21 ILE 47 -2.677 2.787 -5.485 374 2HG2 ILE 47 HG22 ILE 47 -4.056 1.856 -6.069 375 3HG2 ILE 47 HG23 ILE 47 -3.532 3.297 -6.940 376 1HD1 ILE 47 HD11 ILE 47 -2.174 3.892 -8.888 377 2HD1 ILE 47 HD12 ILE 47 -1.806 2.408 -9.766 378 3HD1 ILE 47 HD13 ILE 47 -0.530 3.585 -9.449 379 H ASP 48 HN ASP 48 -2.835 -1.395 -7.785 380 HA ASP 48 HA ASP 48 -5.261 -1.717 -6.393 381 1HB ASP 48 HB2 ASP 48 -4.649 -2.472 -8.783 382 2HB ASP 48 HB1 ASP 48 -3.965 -3.904 -8.015 383 H CYS 49 HN CYS 49 -2.089 -2.990 -5.915 384 HA CYS 49 HA CYS 49 -2.932 -5.095 -4.124 385 1HB CYS 49 HB2 CYS 49 -0.312 -4.099 -5.165 386 2HB CYS 49 HB1 CYS 49 -0.324 -5.059 -3.687 387 HG CYS 49 HG CYS 49 -2.181 -6.614 -5.869 388 H ILE 50 HN ILE 50 -1.220 -1.972 -3.850 389 HA ILE 50 HA ILE 50 -0.944 -2.016 -1.053 390 HB ILE 50 HB ILE 50 0.092 -0.432 -2.898 391 1HG1 ILE 50 HG12 ILE 50 -0.565 0.693 -0.166 392 2HG1 ILE 50 HG11 ILE 50 0.637 -0.570 -0.436 393 1HG2 ILE 50 HG21 ILE 50 -1.886 1.520 -1.832 394 2HG2 ILE 50 HG22 ILE 50 -2.338 0.509 -3.204 395 3HG2 ILE 50 HG23 ILE 50 -0.934 1.570 -3.316 396 1HD1 ILE 50 HD11 ILE 50 2.060 0.870 -1.586 397 2HD1 ILE 50 HD12 ILE 50 1.447 1.839 -0.247 398 3HD1 ILE 50 HD13 ILE 50 0.785 2.055 -1.867 399 H ARG 51 HN ARG 51 -3.632 -1.449 -3.081 400 HA ARG 51 HA ARG 51 -5.152 0.112 -1.196 401 1HB ARG 51 HB2 ARG 51 -5.647 -1.082 -3.883 402 2HB ARG 51 HB1 ARG 51 -7.045 -0.721 -2.878 403 1HG ARG 51 HG2 ARG 51 -5.178 1.486 -2.940 404 2HG ARG 51 HG1 ARG 51 -5.710 1.026 -4.558 405 1HD ARG 51 HD2 ARG 51 -8.074 1.058 -3.615 406 2HD ARG 51 HD1 ARG 51 -7.387 1.874 -2.211 407 HE ARG 51 HE ARG 51 -6.550 3.545 -3.957 408 1HH1 ARG 51 HH11 ARG 51 -9.521 1.743 -4.230 409 2HH1 ARG 51 HH12 ARG 51 -10.310 2.945 -5.197 410 1HH2 ARG 51 HH21 ARG 51 -7.582 5.131 -5.229 411 2HH2 ARG 51 HH22 ARG 51 -9.208 4.869 -5.766 412 H ALA 52 HN ALA 52 -5.397 -3.193 -2.493 413 HA ALA 52 HA ALA 52 -7.414 -4.067 -0.746 414 1HB ALA 52 HB1 ALA 52 -6.744 -5.228 -2.828 415 2HB ALA 52 HB2 ALA 52 -6.839 -6.303 -1.434 416 3HB ALA 52 HB3 ALA 52 -5.268 -5.758 -2.022 417 H PHE 53 HN PHE 53 -3.944 -3.862 -0.388 418 HA PHE 53 HA PHE 53 -3.772 -5.474 1.959 419 1HB PHE 53 HB2 PHE 53 -1.926 -4.671 0.234 420 2HB PHE 53 HB1 PHE 53 -1.755 -3.349 1.386 421 HD1 PHE 53 HD1 PHE 53 -0.628 -6.535 0.522 422 HD2 PHE 53 HD2 PHE 53 -1.567 -4.136 3.909 423 HE1 PHE 53 HE1 PHE 53 0.816 -7.953 1.922 424 HE2 PHE 53 HE2 PHE 53 -0.125 -5.549 5.315 425 HZ PHE 53 HZ PHE 53 1.069 -7.460 4.322 426 H ARG 54 HN ARG 54 -3.556 -1.945 1.461 427 HA ARG 54 HA ARG 54 -3.424 -1.170 4.109 428 1HB ARG 54 HB2 ARG 54 -3.627 0.122 1.672 429 2HB ARG 54 HB1 ARG 54 -5.089 0.615 2.516 430 1HG ARG 54 HG2 ARG 54 -3.437 1.097 4.482 431 2HG ARG 54 HG1 ARG 54 -2.240 1.152 3.185 432 1HD ARG 54 HD2 ARG 54 -4.675 2.642 2.581 433 2HD ARG 54 HD1 ARG 54 -3.822 3.243 4.004 434 HE ARG 54 HE ARG 54 -2.089 3.933 2.651 435 1HH1 ARG 54 HH11 ARG 54 -4.313 1.968 0.826 436 2HH1 ARG 54 HH12 ARG 54 -3.605 2.360 -0.705 437 1HH2 ARG 54 HH21 ARG 54 -1.148 4.453 0.640 438 2HH2 ARG 54 HH22 ARG 54 -1.805 3.771 -0.811 439 H GLU 55 HN GLU 55 -6.278 -1.917 2.166 440 HA GLU 55 HA GLU 55 -8.200 -1.060 4.042 441 1HB GLU 55 HB2 GLU 55 -8.193 -2.768 1.616 442 2HB GLU 55 HB1 GLU 55 -9.546 -2.975 2.722 443 1HG GLU 55 HG2 GLU 55 -9.963 -0.534 2.582 444 2HG GLU 55 HG1 GLU 55 -8.695 -0.429 1.362 445 H GLU 56 HN GLU 56 -6.880 -4.303 3.379 446 HA GLU 56 HA GLU 56 -8.353 -5.621 5.392 447 1HB GLU 56 HB2 GLU 56 -5.811 -6.325 3.934 448 2HB GLU 56 HB1 GLU 56 -6.542 -7.394 5.128 449 1HG GLU 56 HG2 GLU 56 -8.511 -6.539 3.223 450 2HG GLU 56 HG1 GLU 56 -7.114 -7.227 2.398 451 H ALA 57 HN ALA 57 -5.483 -3.684 5.505 452 HA ALA 57 HA ALA 57 -4.632 -4.737 8.067 453 1HB ALA 57 HB1 ALA 57 -3.554 -2.339 6.598 454 2HB ALA 57 HB2 ALA 57 -3.018 -3.994 6.306 455 3HB ALA 57 HB3 ALA 57 -2.772 -3.254 7.887 456 H ILE 58 HN ILE 58 -5.607 -1.535 6.825 457 HA ILE 58 HA ILE 58 -5.825 -0.239 9.269 458 HB ILE 58 HB ILE 58 -7.343 1.349 8.207 459 1HG1 ILE 58 HG12 ILE 58 -7.542 0.545 5.556 460 2HG1 ILE 58 HG11 ILE 58 -7.886 -0.925 6.465 461 1HG2 ILE 58 HG21 ILE 58 -5.646 1.029 5.901 462 2HG2 ILE 58 HG22 ILE 58 -4.754 0.739 7.394 463 3HG2 ILE 58 HG23 ILE 58 -5.612 2.261 7.162 464 1HD1 ILE 58 HD11 ILE 58 -9.266 1.687 7.000 465 2HD1 ILE 58 HD12 ILE 58 -9.718 0.079 7.566 466 3HD1 ILE 58 HD13 ILE 58 -9.869 0.488 5.857 467 H LYS 59 HN LYS 59 -8.181 -2.212 7.539 468 HA LYS 59 HA LYS 59 -10.433 -1.825 9.046 469 1HB LYS 59 HB2 LYS 59 -9.356 -4.060 7.444 470 2HB LYS 59 HB1 LYS 59 -10.593 -4.501 8.613 471 1HG LYS 59 HG2 LYS 59 -11.953 -2.575 7.600 472 2HG LYS 59 HG1 LYS 59 -10.799 -2.657 6.264 473 1HD LYS 59 HD2 LYS 59 -11.353 -5.011 5.923 474 2HD LYS 59 HD1 LYS 59 -12.489 -4.946 7.273 475 1HE LYS 59 HE2 LYS 59 -13.938 -3.492 6.111 476 2HE LYS 59 HE1 LYS 59 -12.722 -3.134 4.887 477 1HZ LYS 59 HZ1 LYS 59 -13.966 -5.800 5.280 478 2HZ LYS 59 HZ2 LYS 59 -12.913 -5.350 4.035 479 3HZ LYS 59 HZ3 LYS 59 -14.463 -4.676 4.117 480 H PHE 60 HN PHE 60 -7.882 -4.269 9.672 481 HA PHE 60 HA PHE 60 -7.893 -3.883 12.451 482 1HB PHE 60 HB2 PHE 60 -8.921 -6.312 12.868 483 2HB PHE 60 HB1 PHE 60 -9.910 -4.856 12.898 484 HD1 PHE 60 HD1 PHE 60 -11.859 -4.857 11.697 485 HD2 PHE 60 HD2 PHE 60 -8.694 -7.419 10.461 486 HE1 PHE 60 HE1 PHE 60 -13.311 -5.802 9.951 487 HE2 PHE 60 HE2 PHE 60 -10.139 -8.367 8.712 488 HZ PHE 60 HZ PHE 60 -12.451 -7.558 8.455 489 H SER 61 HN SER 61 -5.657 -3.988 11.753 490 HA SER 61 HA SER 61 -4.577 -6.598 12.192 491 1HB SER 61 HB2 SER 61 -5.145 -6.545 9.711 492 2HB SER 61 HB1 SER 61 -3.869 -5.339 9.549 493 HG SER 61 HG SER 61 -2.516 -6.991 10.653 494 H GLU 62 HN GLU 62 -2.745 -4.435 10.224 495 HA GLU 62 HA GLU 62 -1.370 -3.414 12.613 496 1HB GLU 62 HB2 GLU 62 -0.093 -4.706 10.201 497 2HB GLU 62 HB1 GLU 62 0.802 -3.753 11.380 498 1HG GLU 62 HG2 GLU 62 -0.844 -6.125 12.188 499 2HG GLU 62 HG1 GLU 62 0.824 -6.288 11.632 500 H GLU 63 HN GLU 63 -2.948 -1.668 11.772 501 HA GLU 63 HA GLU 63 -2.517 -0.184 9.493 502 1HB GLU 63 HB2 GLU 63 -3.571 1.666 10.616 503 2HB GLU 63 HB1 GLU 63 -4.352 0.177 11.129 504 1HG GLU 63 HG2 GLU 63 -2.214 1.580 12.713 505 2HG GLU 63 HG1 GLU 63 -3.945 1.834 12.944 506 H GLN 64 HN GLN 64 -0.671 -0.128 12.494 507 HA GLN 64 HA GLN 64 0.866 2.202 11.870 508 1HB GLN 64 HB2 GLN 64 1.324 -0.079 13.806 509 2HB GLN 64 HB1 GLN 64 2.383 1.319 13.687 510 1HG GLN 64 HG2 GLN 64 0.305 2.724 14.121 511 2HG GLN 64 HG1 GLN 64 -0.470 1.212 14.595 512 1HE2 GLN 64 HE21 GLN 64 -0.239 0.556 16.621 513 2HE2 GLN 64 HE22 GLN 64 0.891 1.191 17.763 514 H ARG 65 HN ARG 65 1.006 -1.060 10.827 515 HA ARG 65 HA ARG 65 3.798 -1.066 10.154 516 1HB ARG 65 HB2 ARG 65 2.733 -3.171 10.641 517 2HB ARG 65 HB1 ARG 65 1.523 -2.902 9.395 518 1HG ARG 65 HG2 ARG 65 3.292 -3.014 7.687 519 2HG ARG 65 HG1 ARG 65 4.466 -3.364 8.958 520 1HD ARG 65 HD2 ARG 65 2.066 -5.036 8.218 521 2HD ARG 65 HD1 ARG 65 3.754 -5.417 7.875 522 HE ARG 65 HE ARG 65 2.731 -5.196 10.630 523 1HH1 ARG 65 HH11 ARG 65 4.483 -6.896 8.144 524 2HH1 ARG 65 HH12 ARG 65 5.040 -8.144 9.209 525 1HH2 ARG 65 HH21 ARG 65 3.461 -6.834 12.040 526 2HH2 ARG 65 HH22 ARG 65 4.460 -8.108 11.423 527 H PHE 66 HN PHE 66 0.935 0.119 8.680 528 HA PHE 66 HA PHE 66 2.051 0.051 5.994 529 1HB PHE 66 HB2 PHE 66 -0.545 -0.019 6.920 530 2HB PHE 66 HB1 PHE 66 -0.377 1.639 6.338 531 HD1 PHE 66 HD1 PHE 66 -1.131 -1.661 5.415 532 HD2 PHE 66 HD2 PHE 66 0.756 1.874 3.988 533 HE1 PHE 66 HE1 PHE 66 -1.399 -2.454 3.104 534 HE2 PHE 66 HE2 PHE 66 0.486 1.090 1.674 535 HZ PHE 66 HZ PHE 66 -0.592 -1.080 1.230 536 H ASN 67 HN ASN 67 1.095 2.473 8.408 537 HA ASN 67 HA ASN 67 1.998 4.712 6.885 538 1HB ASN 67 HB2 ASN 67 2.144 5.681 9.380 539 2HB ASN 67 HB1 ASN 67 0.604 5.482 8.555 540 1HD2 ASN 67 HD21 ASN 67 -0.224 5.466 10.744 541 2HD2 ASN 67 HD22 ASN 67 -0.216 3.984 11.630 542 H ASN 68 HN ASN 68 3.427 2.268 8.656 543 HA ASN 68 HA ASN 68 5.886 3.538 9.402 544 1HB ASN 68 HB2 ASN 68 5.283 1.511 10.556 545 2HB ASN 68 HB1 ASN 68 5.158 0.622 9.041 546 1HD2 ASN 68 HD21 ASN 68 7.225 1.740 11.523 547 2HD2 ASN 68 HD22 ASN 68 8.688 1.038 10.931 548 H PHE 69 HN PHE 69 5.125 1.149 6.880 549 HA PHE 69 HA PHE 69 7.513 1.600 5.422 550 1HB PHE 69 HB2 PHE 69 5.798 -0.407 5.397 551 2HB PHE 69 HB1 PHE 69 5.066 0.517 4.088 552 HD1 PHE 69 HD1 PHE 69 6.195 0.792 1.974 553 HD2 PHE 69 HD2 PHE 69 7.994 -1.397 5.150 554 HE1 PHE 69 HE1 PHE 69 7.835 -0.143 0.395 555 HE2 PHE 69 HE2 PHE 69 9.637 -2.335 3.578 556 HZ PHE 69 HZ PHE 69 9.559 -1.708 1.197 557 H LEU 70 HN LEU 70 4.419 3.152 5.442 558 HA LEU 70 HA LEU 70 4.543 4.349 2.875 559 1HB LEU 70 HB2 LEU 70 2.910 4.719 5.321 560 2HB LEU 70 HB1 LEU 70 2.999 6.092 4.232 561 HG LEU 70 HG LEU 70 1.970 3.328 3.572 562 1HD1 LEU 70 HD11 LEU 70 0.295 5.695 3.129 563 2HD1 LEU 70 HD12 LEU 70 0.672 5.368 4.821 564 3HD1 LEU 70 HD13 LEU 70 -0.108 4.130 3.837 565 1HD2 LEU 70 HD21 LEU 70 3.076 4.086 1.617 566 2HD2 LEU 70 HD22 LEU 70 2.444 5.721 1.810 567 3HD2 LEU 70 HD23 LEU 70 1.357 4.401 1.378 568 H LYS 71 HN LYS 71 5.374 5.567 6.119 569 HA LYS 71 HA LYS 71 6.220 8.109 5.368 570 1HB LYS 71 HB2 LYS 71 7.034 6.298 7.632 571 2HB LYS 71 HB1 LYS 71 7.719 7.906 7.446 572 1HG LYS 71 HG2 LYS 71 5.630 8.945 7.785 573 2HG LYS 71 HG1 LYS 71 4.760 7.418 7.602 574 1HD LYS 71 HD2 LYS 71 5.511 6.621 9.684 575 2HD LYS 71 HD1 LYS 71 6.771 7.851 9.793 576 1HE LYS 71 HE2 LYS 71 5.365 9.076 11.002 577 2HE LYS 71 HE1 LYS 71 4.384 9.273 9.550 578 1HZ LYS 71 HZ1 LYS 71 3.019 8.438 11.308 579 2HZ LYS 71 HZ2 LYS 71 4.087 7.164 11.620 580 3HZ LYS 71 HZ3 LYS 71 3.219 7.201 10.169 581 H ALA 72 HN ALA 72 7.889 5.026 5.289 582 HA ALA 72 HA ALA 72 10.453 6.172 4.645 583 1HB ALA 72 HB1 ALA 72 9.599 3.301 4.329 584 2HB ALA 72 HB2 ALA 72 10.141 4.002 5.854 585 3HB ALA 72 HB3 ALA 72 11.241 3.929 4.477 586 H LEU 73 HN LEU 73 7.868 4.547 2.871 587 HA LEU 73 HA LEU 73 9.152 4.418 0.373 588 1HB LEU 73 HB2 LEU 73 7.243 3.066 0.686 589 2HB LEU 73 HB1 LEU 73 6.265 4.425 1.215 590 HG LEU 73 HG LEU 73 6.598 5.311 -1.203 591 1HD1 LEU 73 HD11 LEU 73 6.886 3.553 -2.872 592 2HD1 LEU 73 HD12 LEU 73 7.192 2.381 -1.591 593 3HD1 LEU 73 HD13 LEU 73 8.318 3.711 -1.855 594 1HD2 LEU 73 HD21 LEU 73 4.736 3.670 -1.959 595 2HD2 LEU 73 HD22 LEU 73 4.429 4.772 -0.615 596 3HD2 LEU 73 HD23 LEU 73 4.824 3.083 -0.298 597 H GLN 74 HN GLN 74 6.973 6.835 1.772 598 HA GLN 74 HA GLN 74 6.762 8.523 -0.433 599 1HB GLN 74 HB2 GLN 74 5.532 8.560 1.856 600 2HB GLN 74 HB1 GLN 74 6.861 9.589 2.370 601 1HG GLN 74 HG2 GLN 74 5.644 10.395 -0.160 602 2HG GLN 74 HG1 GLN 74 4.549 10.448 1.219 603 1HE2 GLN 74 HE21 GLN 74 6.362 11.110 3.220 604 2HE2 GLN 74 HE22 GLN 74 6.932 12.718 2.945 605 H GLU 75 HN GLU 75 9.002 8.757 2.332 606 HA GLU 75 HA GLU 75 10.432 10.977 1.347 607 1HB GLU 75 HB2 GLU 75 11.001 8.862 3.393 608 2HB GLU 75 HB1 GLU 75 12.265 9.994 2.929 609 1HG GLU 75 HG2 GLU 75 9.848 11.425 3.465 610 2HG GLU 75 HG1 GLU 75 10.223 10.357 4.817 611 H LYS 76 HN LYS 76 10.773 7.537 0.800 612 HA LYS 76 HA LYS 76 13.360 7.635 -0.369 613 1HB LYS 76 HB2 LYS 76 11.189 5.633 -0.122 614 2HB LYS 76 HB1 LYS 76 12.322 5.397 -1.446 615 1HG LYS 76 HG2 LYS 76 14.159 5.629 0.300 616 2HG LYS 76 HG1 LYS 76 12.878 5.445 1.500 617 1HD LYS 76 HD2 LYS 76 12.243 3.304 0.435 618 2HD LYS 76 HD1 LYS 76 13.604 3.483 -0.675 619 1HE LYS 76 HE2 LYS 76 14.019 3.563 2.291 620 2HE LYS 76 HE1 LYS 76 13.892 2.024 1.441 621 1HZ LYS 76 HZ1 LYS 76 15.785 2.530 0.148 622 2HZ LYS 76 HZ2 LYS 76 16.200 2.904 1.744 623 3HZ LYS 76 HZ3 LYS 76 15.812 4.142 0.659 624 H VAL 77 HN VAL 77 10.139 7.227 -1.861 625 HA VAL 77 HA VAL 77 11.117 7.486 -4.508 626 HB VAL 77 HB VAL 77 8.939 7.327 -5.257 627 1HG1 VAL 77 HG11 VAL 77 8.041 6.139 -2.776 628 2HG1 VAL 77 HG12 VAL 77 9.697 5.679 -3.172 629 3HG1 VAL 77 HG13 VAL 77 8.399 5.384 -4.327 630 1HG2 VAL 77 HG21 VAL 77 6.964 7.910 -3.753 631 2HG2 VAL 77 HG22 VAL 77 7.903 9.248 -4.415 632 3HG2 VAL 77 HG23 VAL 77 8.139 8.749 -2.740 633 H GLU 78 HN GLU 78 10.094 9.793 -2.113 634 HA GLU 78 HA GLU 78 9.538 11.995 -3.734 635 1HB GLU 78 HB2 GLU 78 10.199 11.544 -0.926 636 2HB GLU 78 HB1 GLU 78 10.813 13.079 -1.523 637 1HG GLU 78 HG2 GLU 78 8.337 13.216 -2.500 638 2HG GLU 78 HG1 GLU 78 8.032 12.176 -1.109 639 H ILE 79 HN ILE 79 12.610 11.051 -2.202 640 HA ILE 79 HA ILE 79 14.178 13.063 -3.373 641 HB ILE 79 HB ILE 79 15.068 10.296 -2.546 642 1HG1 ILE 79 HG12 ILE 79 13.917 11.494 -0.731 643 2HG1 ILE 79 HG11 ILE 79 15.638 11.324 -0.395 644 1HG2 ILE 79 HG21 ILE 79 17.261 11.503 -2.171 645 2HG2 ILE 79 HG22 ILE 79 16.580 12.834 -3.107 646 3HG2 ILE 79 HG23 ILE 79 16.788 11.248 -3.851 647 1HD1 ILE 79 HD11 ILE 79 14.067 13.674 -0.442 648 2HD1 ILE 79 HD12 ILE 79 15.248 13.785 -1.747 649 3HD1 ILE 79 HD13 ILE 79 15.788 13.505 -0.092 650 H LYS 80 HN LYS 80 14.764 9.679 -4.202 651 HA LYS 80 HA LYS 80 14.272 10.161 -7.019 652 1HB LYS 80 HB2 LYS 80 16.618 10.964 -6.548 653 2HB LYS 80 HB1 LYS 80 17.026 9.307 -6.126 654 1HG LYS 80 HG2 LYS 80 16.798 8.558 -8.308 655 2HG LYS 80 HG1 LYS 80 15.806 9.939 -8.782 656 1HD LYS 80 HD2 LYS 80 18.051 11.228 -8.088 657 2HD LYS 80 HD1 LYS 80 18.749 9.684 -8.584 658 1HE LYS 80 HE2 LYS 80 16.972 11.481 -10.229 659 2HE LYS 80 HE1 LYS 80 18.694 11.190 -10.470 660 1HZ LYS 80 HZ1 LYS 80 16.556 9.142 -10.711 661 2HZ LYS 80 HZ2 LYS 80 18.207 8.885 -10.972 662 3HZ LYS 80 HZ3 LYS 80 17.337 9.903 -12.006 663 H GLN 81 HN GLN 81 12.939 8.475 -7.344 664 HA GLN 81 HA GLN 81 13.931 5.844 -7.449 665 1HB GLN 81 HB2 GLN 81 12.844 6.661 -4.902 666 2HB GLN 81 HB1 GLN 81 11.854 5.388 -5.605 667 1HG GLN 81 HG2 GLN 81 13.838 3.985 -5.852 668 2HG GLN 81 HG1 GLN 81 14.825 5.260 -5.140 669 1HE2 GLN 81 HE21 GLN 81 11.745 3.662 -4.371 670 2HE2 GLN 81 HE22 GLN 81 12.129 3.342 -2.717 671 H LEU 82 HN LEU 82 10.716 6.947 -6.424 672 HA LEU 82 HA LEU 82 9.680 6.717 -9.120 673 1HB LEU 82 HB2 LEU 82 7.789 5.206 -8.032 674 2HB LEU 82 HB1 LEU 82 9.220 4.526 -8.779 675 HG LEU 82 HG LEU 82 9.483 5.098 -5.903 676 1HD1 LEU 82 HD11 LEU 82 7.544 3.051 -6.953 677 2HD1 LEU 82 HD12 LEU 82 7.239 4.336 -5.786 678 3HD1 LEU 82 HD13 LEU 82 8.262 2.970 -5.344 679 1HD2 LEU 82 HD21 LEU 82 10.210 2.539 -6.269 680 2HD2 LEU 82 HD22 LEU 82 11.277 3.907 -6.586 681 3HD2 LEU 82 HD23 LEU 82 10.403 3.143 -7.914 682 H ASN 83 HN ASN 83 9.566 9.034 -8.383 683 HA ASN 83 HA ASN 83 7.706 9.822 -6.397 684 1HB ASN 83 HB2 ASN 83 9.360 11.410 -6.996 685 2HB ASN 83 HB1 ASN 83 8.994 11.264 -8.711 686 1HD2 ASN 83 HD21 ASN 83 7.896 12.880 -9.529 687 2HD2 ASN 83 HD22 ASN 83 6.805 13.912 -8.678 688 H HIS 84 HN HIS 84 7.352 8.674 -9.588 689 HA HIS 84 HA HIS 84 4.944 9.965 -10.319 690 1HB HIS 84 HB2 HIS 84 5.484 7.195 -11.275 691 2HB HIS 84 HB1 HIS 84 4.949 8.609 -12.176 692 HD1 HIS 84 HD1 HIS 84 8.067 7.016 -10.789 693 HD2 HIS 84 HD2 HIS 84 6.961 10.075 -13.375 694 HE1 HIS 84 HE1 HIS 84 10.193 7.747 -11.914 695 HE2 HIS 84 HE2 HIS 84 9.489 9.550 -13.527 696 H PHE 85 HN PHE 85 5.647 6.971 -8.588 697 HA PHE 85 HA PHE 85 3.044 5.944 -8.472 698 1HB PHE 85 HB2 PHE 85 5.257 4.817 -7.801 699 2HB PHE 85 HB1 PHE 85 5.052 5.625 -6.247 700 HD1 PHE 85 HD1 PHE 85 3.350 3.315 -8.606 701 HD2 PHE 85 HD2 PHE 85 3.745 4.657 -4.586 702 HE1 PHE 85 HE1 PHE 85 1.894 1.481 -7.855 703 HE2 PHE 85 HE2 PHE 85 2.287 2.822 -3.826 704 HZ PHE 85 HZ PHE 85 1.361 1.233 -5.464 705 H TRP 86 HN TRP 86 4.609 8.481 -6.674 706 HA TRP 86 HA TRP 86 2.632 8.571 -4.593 707 1HB TRP 86 HB2 TRP 86 5.005 9.318 -4.294 708 2HB TRP 86 HB1 TRP 86 4.654 10.690 -5.341 709 HD1 TRP 86 HD1 TRP 86 3.980 12.808 -4.097 710 HE1 TRP 86 HE1 TRP 86 2.995 13.363 -1.781 711 HE3 TRP 86 HE3 TRP 86 3.293 8.057 -2.355 712 HZ2 TRP 86 HZ2 TRP 86 2.050 11.962 0.485 713 HZ3 TRP 86 HZ3 TRP 86 2.346 7.746 -0.107 714 HH2 TRP 86 HH2 TRP 86 1.736 9.660 1.283 715 H GLU 87 HN GLU 87 3.387 10.538 -7.460 716 HA GLU 87 HA GLU 87 1.301 12.402 -7.119 717 1HB GLU 87 HB2 GLU 87 2.999 11.536 -9.426 718 2HB GLU 87 HB1 GLU 87 1.593 12.542 -9.741 719 1HG GLU 87 HG2 GLU 87 2.460 14.240 -8.220 720 2HG GLU 87 HG1 GLU 87 3.865 13.229 -7.890 721 H ILE 88 HN ILE 88 1.371 9.159 -8.182 722 HA ILE 88 HA ILE 88 -1.203 9.280 -9.533 723 HB ILE 88 HB ILE 88 0.600 6.944 -8.879 724 1HG1 ILE 88 HG12 ILE 88 -0.158 7.961 -11.608 725 2HG1 ILE 88 HG11 ILE 88 1.180 8.679 -10.711 726 1HG2 ILE 88 HG21 ILE 88 -2.138 7.044 -10.076 727 2HG2 ILE 88 HG22 ILE 88 -1.481 5.932 -8.875 728 3HG2 ILE 88 HG23 ILE 88 -1.000 5.788 -10.565 729 1HD1 ILE 88 HD11 ILE 88 2.111 7.075 -12.167 730 2HD1 ILE 88 HD12 ILE 88 0.922 5.856 -11.702 731 3HD1 ILE 88 HD13 ILE 88 2.158 6.368 -10.552 732 H VAL 89 HN VAL 89 0.101 7.422 -6.794 733 HA VAL 89 HA VAL 89 -2.192 6.452 -5.698 734 HB VAL 89 HB VAL 89 0.343 7.389 -4.392 735 1HG1 VAL 89 HG11 VAL 89 -2.087 6.264 -3.018 736 2HG1 VAL 89 HG12 VAL 89 -1.239 7.769 -2.662 737 3HG1 VAL 89 HG13 VAL 89 -0.470 6.220 -2.316 738 1HG2 VAL 89 HG21 VAL 89 0.829 5.086 -4.181 739 2HG2 VAL 89 HG22 VAL 89 0.194 5.302 -5.812 740 3HG2 VAL 89 HG23 VAL 89 -0.833 4.626 -4.548 741 H VAL 90 HN VAL 90 -1.006 9.757 -5.479 742 HA VAL 90 HA VAL 90 -2.909 10.523 -3.461 743 HB VAL 90 HB VAL 90 -0.739 11.693 -3.697 744 1HG1 VAL 90 HG11 VAL 90 -0.204 13.098 -5.484 745 2HG1 VAL 90 HG12 VAL 90 -1.851 13.074 -6.113 746 3HG1 VAL 90 HG13 VAL 90 -0.836 11.638 -6.246 747 1HG2 VAL 90 HG21 VAL 90 -1.575 13.901 -3.290 748 2HG2 VAL 90 HG22 VAL 90 -2.724 12.742 -2.621 749 3HG2 VAL 90 HG23 VAL 90 -3.071 13.546 -4.153 750 H GLN 91 HN GLN 91 -2.557 11.149 -6.938 751 HA GLN 91 HA GLN 91 -4.882 12.600 -7.344 752 1HB GLN 91 HB2 GLN 91 -2.940 11.975 -8.974 753 2HB GLN 91 HB1 GLN 91 -3.965 10.609 -9.388 754 1HG GLN 91 HG2 GLN 91 -5.787 12.233 -9.906 755 2HG GLN 91 HG1 GLN 91 -4.615 13.530 -9.674 756 1HE2 GLN 91 HE21 GLN 91 -3.037 13.874 -11.199 757 2HE2 GLN 91 HE22 GLN 91 -3.051 13.121 -12.753 758 H ASP 92 HN ASP 92 -4.423 9.096 -7.248 759 HA ASP 92 HA ASP 92 -7.025 8.385 -8.066 760 1HB ASP 92 HB2 ASP 92 -4.842 6.963 -6.572 761 2HB ASP 92 HB1 ASP 92 -6.420 6.212 -6.781 762 H GLY 93 HN GLY 93 -6.153 10.067 -5.379 763 1HA GLY 93 HA2 GLY 93 -7.403 10.729 -3.560 764 2HA GLY 93 HA1 GLY 93 -8.711 9.707 -4.148 765 H ILE 94 HN ILE 94 -5.389 8.903 -3.158 766 HA ILE 94 HA ILE 94 -6.535 6.956 -1.275 767 HB ILE 94 HB ILE 94 -3.717 7.030 -2.356 768 1HG1 ILE 94 HG12 ILE 94 -5.987 5.197 -3.157 769 2HG1 ILE 94 HG11 ILE 94 -5.476 6.599 -4.094 770 1HG2 ILE 94 HG21 ILE 94 -5.202 4.892 -0.833 771 2HG2 ILE 94 HG22 ILE 94 -3.938 5.936 -0.181 772 3HG2 ILE 94 HG23 ILE 94 -3.553 4.772 -1.451 773 1HD1 ILE 94 HD11 ILE 94 -3.855 4.139 -3.491 774 2HD1 ILE 94 HD12 ILE 94 -3.236 5.572 -4.311 775 3HD1 ILE 94 HD13 ILE 94 -4.527 4.623 -5.048 776 H THR 95 HN THR 95 -6.223 7.153 0.845 777 HA THR 95 HA THR 95 -4.625 9.417 1.792 778 HB THR 95 HB THR 95 -5.914 9.416 3.782 779 HG1 THR 95 HG1 THR 95 -7.510 7.671 4.085 780 1HG2 THR 95 HG21 THR 95 -7.754 8.748 1.480 781 2HG2 THR 95 HG22 THR 95 -7.093 10.340 1.853 782 3HG2 THR 95 HG23 THR 95 -8.227 9.574 2.966 783 H LEU 96 HN LEU 96 -4.281 8.662 4.431 784 HA LEU 96 HA LEU 96 -2.192 6.628 4.101 785 1HB LEU 96 HB2 LEU 96 -1.937 9.153 5.061 786 2HB LEU 96 HB1 LEU 96 -2.220 8.278 6.555 787 HG LEU 96 HG LEU 96 -0.335 6.690 5.636 788 1HD1 LEU 96 HD11 LEU 96 -0.022 7.599 3.478 789 2HD1 LEU 96 HD12 LEU 96 1.382 8.079 4.432 790 3HD1 LEU 96 HD13 LEU 96 0.095 9.242 4.108 791 1HD2 LEU 96 HD21 LEU 96 1.358 8.446 6.591 792 2HD2 LEU 96 HD22 LEU 96 0.158 7.688 7.637 793 3HD2 LEU 96 HD23 LEU 96 -0.114 9.316 7.020 794 H ILE 97 HN ILE 97 -2.278 6.778 7.260 795 HA ILE 97 HA ILE 97 -4.416 4.773 7.506 796 HB ILE 97 HB ILE 97 -1.605 4.733 8.303 797 1HG1 ILE 97 HG12 ILE 97 -2.050 2.279 8.285 798 2HG1 ILE 97 HG11 ILE 97 -3.754 2.624 8.003 799 1HG2 ILE 97 HG21 ILE 97 -2.028 3.409 10.380 800 2HG2 ILE 97 HG22 ILE 97 -3.701 3.966 10.324 801 3HG2 ILE 97 HG23 ILE 97 -2.387 5.133 10.515 802 1HD1 ILE 97 HD11 ILE 97 -1.563 3.538 6.156 803 2HD1 ILE 97 HD12 ILE 97 -3.300 3.527 5.857 804 3HD1 ILE 97 HD13 ILE 97 -2.416 2.005 5.971 805 H THR 98 HN THR 98 -6.100 5.556 8.623 806 HA THR 98 HA THR 98 -5.608 7.471 10.784 807 HB THR 98 HB THR 98 -8.329 7.306 10.593 808 HG1 THR 98 HG1 THR 98 -8.906 6.975 8.518 809 1HG2 THR 98 HG21 THR 98 -8.216 9.424 9.440 810 2HG2 THR 98 HG22 THR 98 -6.576 9.081 8.890 811 3HG2 THR 98 HG23 THR 98 -6.896 9.339 10.606 812 H LYS 99 HN LYS 99 -5.944 6.983 12.872 813 HA LYS 99 HA LYS 99 -6.108 4.390 13.805 814 1HB LYS 99 HB2 LYS 99 -6.323 7.079 14.981 815 2HB LYS 99 HB1 LYS 99 -7.091 5.805 15.916 816 1HG LYS 99 HG2 LYS 99 -5.061 4.628 16.167 817 2HG LYS 99 HG1 LYS 99 -4.259 5.605 14.937 818 1HD LYS 99 HD2 LYS 99 -3.515 6.318 17.113 819 2HD LYS 99 HD1 LYS 99 -4.518 7.586 16.407 820 1HE LYS 99 HE2 LYS 99 -6.416 6.849 17.737 821 2HE LYS 99 HE1 LYS 99 -5.456 5.532 18.409 822 1HZ LYS 99 HZ1 LYS 99 -5.233 8.427 18.917 823 2HZ LYS 99 HZ2 LYS 99 -3.905 7.413 19.175 824 3HZ LYS 99 HZ3 LYS 99 -5.341 7.156 20.029 825 H GLU 100 HN GLU 100 -8.708 6.641 13.087 826 HA GLU 100 HA GLU 100 -10.795 5.351 14.428 827 1HB GLU 100 HB2 GLU 100 -10.994 7.589 13.435 828 2HB GLU 100 HB1 GLU 100 -10.905 6.886 11.825 829 1HG GLU 100 HG2 GLU 100 -12.986 5.648 12.285 830 2HG GLU 100 HG1 GLU 100 -13.083 6.443 13.855 831 H GLU 101 HN GLU 101 -9.103 4.525 11.538 832 HA GLU 101 HA GLU 101 -11.081 2.760 10.483 833 1HB GLU 101 HB2 GLU 101 -8.130 3.027 9.905 834 2HB GLU 101 HB1 GLU 101 -9.223 1.978 9.009 835 1HG GLU 101 HG2 GLU 101 -10.537 3.937 8.342 836 2HG GLU 101 HG1 GLU 101 -9.406 4.977 9.211 837 H ALA 102 HN ALA 102 -8.671 2.500 12.920 838 HA ALA 102 HA ALA 102 -9.287 -0.356 13.193 839 1HB ALA 102 HB1 ALA 102 -6.952 0.340 12.102 840 2HB ALA 102 HB2 ALA 102 -7.142 -1.075 13.138 841 3HB ALA 102 HB3 ALA 102 -6.503 0.426 13.806 842 H SER 103 HN SER 103 -7.166 1.979 14.858 843 HA SER 103 HA SER 103 -7.542 1.023 17.423 844 1HB SER 103 HB2 SER 103 -6.580 3.551 16.241 845 2HB SER 103 HB1 SER 103 -7.124 3.659 17.915 846 HG SER 103 HG SER 103 -5.645 2.075 18.470 847 H GLY 104 HN GLY 104 -8.737 4.292 16.915 848 1HA GLY 104 HA2 GLY 104 -11.490 3.702 17.208 849 2HA GLY 104 HA1 GLY 104 -10.793 4.067 18.780 850 H SER 105 HN SER 105 -9.209 6.146 18.517 851 HA SER 105 HA SER 105 -10.960 8.307 18.075 852 1HB SER 105 HB2 SER 105 -9.243 9.669 18.871 853 2HB SER 105 HB1 SER 105 -8.871 8.115 19.619 854 HG SER 105 HG SER 105 -7.009 8.976 18.696 855 H SER 106 HN SER 106 -9.019 10.130 16.877 856 HA SER 106 HA SER 106 -9.193 9.245 14.077 857 1HB SER 106 HB2 SER 106 -10.950 10.936 14.658 858 2HB SER 106 HB1 SER 106 -9.659 12.077 15.035 859 HG SER 106 HG SER 106 -10.341 12.383 12.914 860 H VAL 107 HN VAL 107 -7.022 8.630 14.078 861 HA VAL 107 HA VAL 107 -4.747 9.545 14.894 862 HB VAL 107 HB VAL 107 -5.554 8.442 12.350 863 1HG1 VAL 107 HG11 VAL 107 -3.117 10.214 12.299 864 2HG1 VAL 107 HG12 VAL 107 -4.582 10.409 11.337 865 3HG1 VAL 107 HG13 VAL 107 -3.531 9.018 11.071 866 1HG2 VAL 107 HG21 VAL 107 -4.209 6.835 13.072 867 2HG2 VAL 107 HG22 VAL 107 -3.924 7.814 14.512 868 3HG2 VAL 107 HG23 VAL 107 -2.829 7.932 13.134 869 H THR 108 HN THR 108 -3.479 11.280 14.979 870 HA THR 108 HA THR 108 -4.365 13.837 14.591 871 HB THR 108 HB THR 108 -1.561 13.894 14.112 872 HG1 THR 108 HG1 THR 108 -1.036 11.995 14.913 873 1HG2 THR 108 HG21 THR 108 -1.484 14.963 16.242 874 2HG2 THR 108 HG22 THR 108 -3.002 14.216 16.740 875 3HG2 THR 108 HG23 THR 108 -2.997 15.446 15.477 876 H ALA 109 HN ALA 109 -3.956 15.470 13.068 877 HA ALA 109 HA ALA 109 -4.334 14.750 10.389 878 1HB ALA 109 HB1 ALA 109 -4.027 17.206 11.915 879 2HB ALA 109 HB2 ALA 109 -5.048 16.860 10.519 880 3HB ALA 109 HB3 ALA 109 -3.363 17.324 10.286 881 H GLU 110 HN GLU 110 -1.437 15.470 12.201 882 HA GLU 110 HA GLU 110 0.376 15.917 10.206 883 1HB GLU 110 HB2 GLU 110 2.112 14.997 11.673 884 2HB GLU 110 HB1 GLU 110 0.981 15.995 12.573 885 1HG GLU 110 HG2 GLU 110 0.288 14.289 13.842 886 2HG GLU 110 HG1 GLU 110 0.286 13.153 12.495 887 H GLU 111 HN GLU 111 -1.214 12.927 10.898 888 HA GLU 111 HA GLU 111 0.602 11.422 9.197 889 1HB GLU 111 HB2 GLU 111 -0.020 10.047 10.936 890 2HB GLU 111 HB1 GLU 111 -1.648 10.703 11.026 891 1HG GLU 111 HG2 GLU 111 -2.470 9.218 9.593 892 2HG GLU 111 HG1 GLU 111 -1.052 9.271 8.551 893 H ALA 112 HN ALA 112 -2.898 11.973 9.284 894 HA ALA 112 HA ALA 112 -3.214 11.119 6.563 895 1HB ALA 112 HB1 ALA 112 -5.235 12.382 8.397 896 2HB ALA 112 HB2 ALA 112 -4.910 10.654 8.254 897 3HB ALA 112 HB3 ALA 112 -5.574 11.543 6.883 898 H LYS 113 HN LYS 113 -3.078 14.279 8.140 899 HA LYS 113 HA LYS 113 -3.988 15.600 5.714 900 1HB LYS 113 HB2 LYS 113 -3.333 16.557 8.476 901 2HB LYS 113 HB1 LYS 113 -3.518 17.693 7.149 902 1HG LYS 113 HG2 LYS 113 -5.772 16.346 6.800 903 2HG LYS 113 HG1 LYS 113 -5.547 16.028 8.521 904 1HD LYS 113 HD2 LYS 113 -5.276 18.497 8.851 905 2HD LYS 113 HD1 LYS 113 -5.737 18.712 7.162 906 1HE LYS 113 HE2 LYS 113 -7.915 18.111 7.537 907 2HE LYS 113 HE1 LYS 113 -7.508 17.087 8.913 908 1HZ LYS 113 HZ1 LYS 113 -7.262 20.033 9.026 909 2HZ LYS 113 HZ2 LYS 113 -7.313 18.937 10.312 910 3HZ LYS 113 HZ3 LYS 113 -8.708 19.241 9.405 911 H LYS 114 HN LYS 114 -0.975 15.408 7.611 912 HA LYS 114 HA LYS 114 0.428 17.306 6.074 913 1HB LYS 114 HB2 LYS 114 0.865 15.708 8.346 914 2HB LYS 114 HB1 LYS 114 2.162 15.339 7.226 915 1HG LYS 114 HG2 LYS 114 2.629 17.157 8.866 916 2HG LYS 114 HG1 LYS 114 2.881 17.596 7.177 917 1HD LYS 114 HD2 LYS 114 0.908 18.884 7.120 918 2HD LYS 114 HD1 LYS 114 0.302 18.170 8.615 919 1HE LYS 114 HE2 LYS 114 1.063 20.103 9.505 920 2HE LYS 114 HE1 LYS 114 2.594 19.229 9.522 921 1HZ LYS 114 HZ1 LYS 114 1.702 21.383 7.743 922 2HZ LYS 114 HZ2 LYS 114 2.787 20.236 7.136 923 3HZ LYS 114 HZ3 LYS 114 3.203 21.157 8.492 924 H PHE 115 HN PHE 115 -0.069 13.852 5.666 925 HA PHE 115 HA PHE 115 2.029 13.535 3.751 926 1HB PHE 115 HB2 PHE 115 -0.042 11.843 4.963 927 2HB PHE 115 HB1 PHE 115 0.374 11.411 3.304 928 HD1 PHE 115 HD1 PHE 115 2.597 10.634 2.741 929 HD2 PHE 115 HD2 PHE 115 1.559 11.617 6.749 930 HE1 PHE 115 HE1 PHE 115 4.611 9.471 3.544 931 HE2 PHE 115 HE2 PHE 115 3.572 10.456 7.559 932 HZ PHE 115 HZ PHE 115 5.099 9.384 5.953 933 H LEU 116 HN LEU 116 -1.515 13.809 3.471 934 HA LEU 116 HA LEU 116 -1.394 13.728 0.593 935 1HB LEU 116 HB2 LEU 116 -3.587 14.127 2.597 936 2HB LEU 116 HB1 LEU 116 -3.871 14.432 0.894 937 HG LEU 116 HG LEU 116 -2.716 11.933 0.864 938 1HD1 LEU 116 HD11 LEU 116 -3.061 12.094 3.432 939 2HD1 LEU 116 HD12 LEU 116 -3.514 10.617 2.581 940 3HD1 LEU 116 HD13 LEU 116 -4.753 11.784 3.043 941 1HD2 LEU 116 HD21 LEU 116 -5.247 13.157 0.313 942 2HD2 LEU 116 HD22 LEU 116 -5.495 11.552 1.001 943 3HD2 LEU 116 HD23 LEU 116 -4.500 11.749 -0.442 944 H ALA 117 HN ALA 117 -1.561 16.193 3.065 945 HA ALA 117 HA ALA 117 -1.497 18.238 0.946 946 1HB ALA 117 HB1 ALA 117 -3.600 18.182 2.340 947 2HB ALA 117 HB2 ALA 117 -2.754 19.729 2.286 948 3HB ALA 117 HB3 ALA 117 -2.606 18.692 3.705 949 HA PRO 118 HA PRO 118 2.420 19.302 2.768 950 1HB PRO 118 HB2 PRO 118 2.899 21.594 1.439 951 2HB PRO 118 HB1 PRO 118 2.975 20.015 0.645 952 1HG PRO 118 HG2 PRO 118 0.774 22.044 0.622 953 2HG PRO 118 HG1 PRO 118 1.421 21.081 -0.718 954 1HD PRO 118 HD2 PRO 118 -0.873 20.448 0.620 955 2HD PRO 118 HD1 PRO 118 0.165 19.242 -0.164 956 H LYS 119 HN LYS 119 0.080 21.973 2.407 957 HA LYS 119 HA LYS 119 0.881 22.914 5.084 958 1HB LYS 119 HB2 LYS 119 0.934 24.305 2.618 959 2HB LYS 119 HB1 LYS 119 -0.381 24.993 3.562 960 1HG LYS 119 HG2 LYS 119 1.280 25.203 5.462 961 2HG LYS 119 HG1 LYS 119 2.530 24.832 4.275 962 1HD LYS 119 HD2 LYS 119 1.185 26.770 2.967 963 2HD LYS 119 HD1 LYS 119 0.918 27.276 4.636 964 1HE LYS 119 HE2 LYS 119 3.258 27.397 5.057 965 2HE LYS 119 HE1 LYS 119 3.636 26.610 3.525 966 1HZ LYS 119 HZ1 LYS 119 3.970 29.044 3.507 967 2HZ LYS 119 HZ2 LYS 119 2.310 29.257 3.754 968 3HZ LYS 119 HZ3 LYS 119 2.866 28.518 2.338 969 H ASP 120 HN ASP 120 -0.936 24.454 5.964 970 HA ASP 120 HA ASP 120 -3.622 23.701 5.251 971 1HB ASP 120 HB2 ASP 120 -2.487 21.917 6.888 972 2HB ASP 120 HB1 ASP 120 -2.991 23.095 8.097 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -2.789 -21.392 -12.070 2 2H GLY 1 HT2 GLY 1 -1.199 -21.912 -12.317 3 3H GLY 1 HT3 GLY 1 -1.718 -20.439 -12.967 4 1HA GLY 1 HA1 GLY 1 -1.530 -21.044 -10.067 5 2HA GLY 1 HA2 GLY 1 -0.327 -20.144 -10.979 6 HA PRO 2 HA PRO 2 -3.652 -17.339 -8.996 7 1HB PRO 2 HB2 PRO 2 -1.136 -15.984 -8.167 8 2HB PRO 2 HB1 PRO 2 -2.626 -16.247 -7.256 9 1HG PRO 2 HG2 PRO 2 -0.449 -17.691 -6.743 10 2HG PRO 2 HG1 PRO 2 -2.062 -18.429 -6.707 11 1HD PRO 2 HD2 PRO 2 0.063 -18.614 -8.800 12 2HD PRO 2 HD1 PRO 2 -1.070 -19.856 -8.229 13 H VAL 3 HN VAL 3 -4.292 -15.411 -9.891 14 HA VAL 3 HA VAL 3 -2.708 -14.479 -12.181 15 HB VAL 3 HB VAL 3 -5.586 -13.793 -11.604 16 1HG1 VAL 3 HG11 VAL 3 -4.402 -12.341 -13.183 17 2HG1 VAL 3 HG12 VAL 3 -5.666 -13.276 -13.982 18 3HG1 VAL 3 HG13 VAL 3 -3.976 -13.749 -14.155 19 1HG2 VAL 3 HG21 VAL 3 -4.477 -16.108 -13.186 20 2HG2 VAL 3 HG22 VAL 3 -6.153 -15.565 -13.256 21 3HG2 VAL 3 HG23 VAL 3 -5.491 -16.188 -11.746 22 H ASN 4 HN ASN 4 -4.853 -13.082 -9.690 23 HA ASN 4 HA ASN 4 -3.229 -10.633 -9.794 24 1HB ASN 4 HB2 ASN 4 -5.843 -10.728 -10.198 25 2HB ASN 4 HB1 ASN 4 -5.888 -10.709 -8.435 26 1HD2 ASN 4 HD21 ASN 4 -5.540 -8.880 -11.259 27 2HD2 ASN 4 HD22 ASN 4 -5.178 -7.360 -10.521 28 HA PRO 5 HA PRO 5 -1.592 -11.620 -5.781 29 1HB PRO 5 HB2 PRO 5 -1.364 -8.688 -5.436 30 2HB PRO 5 HB1 PRO 5 -0.110 -9.931 -5.367 31 1HG PRO 5 HG2 PRO 5 -0.287 -8.266 -7.448 32 2HG PRO 5 HG1 PRO 5 0.167 -9.968 -7.665 33 1HD PRO 5 HD2 PRO 5 -2.461 -8.626 -8.170 34 2HD PRO 5 HD1 PRO 5 -1.631 -9.875 -9.123 35 H ALA 6 HN ALA 6 -3.989 -9.052 -6.157 36 HA ALA 6 HA ALA 6 -4.719 -8.961 -3.398 37 1HB ALA 6 HB1 ALA 6 -6.868 -7.934 -4.784 38 2HB ALA 6 HB2 ALA 6 -5.505 -7.621 -5.857 39 3HB ALA 6 HB3 ALA 6 -5.477 -7.020 -4.199 40 H GLU 7 HN GLU 7 -5.443 -11.065 -5.967 41 HA GLU 7 HA GLU 7 -8.014 -11.919 -4.924 42 1HB GLU 7 HB2 GLU 7 -6.436 -12.400 -7.366 43 2HB GLU 7 HB1 GLU 7 -7.364 -13.783 -6.801 44 1HG GLU 7 HG2 GLU 7 -9.303 -12.030 -6.654 45 2HG GLU 7 HG1 GLU 7 -8.306 -11.147 -7.810 46 H ASN 8 HN ASN 8 -4.865 -13.484 -5.534 47 HA ASN 8 HA ASN 8 -5.455 -15.851 -4.138 48 1HB ASN 8 HB2 ASN 8 -3.519 -15.288 -5.799 49 2HB ASN 8 HB1 ASN 8 -2.656 -14.795 -4.345 50 1HD2 ASN 8 HD21 ASN 8 -1.686 -16.302 -3.161 51 2HD2 ASN 8 HD22 ASN 8 -1.857 -18.007 -3.380 52 H PHE 9 HN PHE 9 -4.258 -12.749 -3.073 53 HA PHE 9 HA PHE 9 -3.335 -13.607 -0.520 54 1HB PHE 9 HB2 PHE 9 -2.404 -11.579 -1.163 55 2HB PHE 9 HB1 PHE 9 -3.927 -10.962 -1.791 56 HD1 PHE 9 HD1 PHE 9 -5.216 -9.513 -0.521 57 HD2 PHE 9 HD2 PHE 9 -2.195 -11.831 1.378 58 HE1 PHE 9 HE1 PHE 9 -5.568 -8.255 1.563 59 HE2 PHE 9 HE2 PHE 9 -2.543 -10.578 3.468 60 HZ PHE 9 HZ PHE 9 -4.231 -8.787 3.561 61 H ARG 10 HN ARG 10 -6.269 -11.867 -1.539 62 HA ARG 10 HA ARG 10 -7.531 -11.714 0.920 63 1HB ARG 10 HB2 ARG 10 -8.448 -11.698 -1.907 64 2HB ARG 10 HB1 ARG 10 -9.670 -11.920 -0.663 65 1HG ARG 10 HG2 ARG 10 -9.069 -9.835 0.373 66 2HG ARG 10 HG1 ARG 10 -7.716 -9.632 -0.742 67 1HD ARG 10 HD2 ARG 10 -9.325 -9.571 -2.620 68 2HD ARG 10 HD1 ARG 10 -10.648 -9.670 -1.454 69 HE ARG 10 HE ARG 10 -8.732 -7.452 -1.290 70 1HH1 ARG 10 HH11 ARG 10 -11.965 -8.619 -1.868 71 2HH1 ARG 10 HH12 ARG 10 -12.683 -7.045 -1.800 72 1HH2 ARG 10 HH21 ARG 10 -9.671 -5.376 -1.199 73 2HH2 ARG 10 HH22 ARG 10 -11.379 -5.201 -1.420 74 H VAL 11 HN VAL 11 -7.546 -14.368 -1.425 75 HA VAL 11 HA VAL 11 -9.447 -15.913 0.080 76 HB VAL 11 HB VAL 11 -9.287 -16.181 -2.345 77 1HG1 VAL 11 HG11 VAL 11 -7.422 -17.171 -3.435 78 2HG1 VAL 11 HG12 VAL 11 -6.627 -17.517 -1.899 79 3HG1 VAL 11 HG13 VAL 11 -6.802 -15.849 -2.446 80 1HG2 VAL 11 HG21 VAL 11 -10.090 -18.031 -0.882 81 2HG2 VAL 11 HG22 VAL 11 -8.470 -18.727 -0.954 82 3HG2 VAL 11 HG23 VAL 11 -9.429 -18.571 -2.426 83 H LEU 12 HN LEU 12 -5.928 -15.982 -0.350 84 HA LEU 12 HA LEU 12 -5.358 -18.317 1.035 85 1HB LEU 12 HB2 LEU 12 -3.727 -16.983 -0.273 86 2HB LEU 12 HB1 LEU 12 -3.706 -15.791 1.016 87 HG LEU 12 HG LEU 12 -3.130 -18.446 2.030 88 1HD1 LEU 12 HD11 LEU 12 -1.192 -19.002 0.896 89 2HD1 LEU 12 HD12 LEU 12 -1.021 -17.395 0.190 90 3HD1 LEU 12 HD13 LEU 12 -2.264 -18.492 -0.408 91 1HD2 LEU 12 HD21 LEU 12 -2.652 -16.489 3.310 92 2HD2 LEU 12 HD22 LEU 12 -1.687 -15.802 2.003 93 3HD2 LEU 12 HD23 LEU 12 -1.115 -17.229 2.868 94 H VAL 13 HN VAL 13 -5.899 -15.053 2.282 95 HA VAL 13 HA VAL 13 -5.330 -15.861 5.002 96 HB VAL 13 HB VAL 13 -6.098 -13.557 5.594 97 1HG1 VAL 13 HG11 VAL 13 -3.839 -13.530 5.409 98 2HG1 VAL 13 HG12 VAL 13 -4.213 -12.480 4.041 99 3HG1 VAL 13 HG13 VAL 13 -3.854 -14.186 3.771 100 1HG2 VAL 13 HG21 VAL 13 -6.849 -13.591 2.741 101 2HG2 VAL 13 HG22 VAL 13 -6.092 -12.110 3.328 102 3HG2 VAL 13 HG23 VAL 13 -7.562 -12.713 4.094 103 H LYS 14 HN LYS 14 -7.936 -16.218 2.970 104 HA LYS 14 HA LYS 14 -9.847 -16.218 5.211 105 1HB LYS 14 HB2 LYS 14 -10.109 -15.538 2.332 106 2HB LYS 14 HB1 LYS 14 -11.473 -16.352 3.085 107 1HG LYS 14 HG2 LYS 14 -10.247 -13.922 4.330 108 2HG LYS 14 HG1 LYS 14 -11.447 -13.791 3.043 109 1HD LYS 14 HD2 LYS 14 -12.901 -15.323 4.472 110 2HD LYS 14 HD1 LYS 14 -11.762 -14.996 5.779 111 1HE LYS 14 HE2 LYS 14 -12.304 -12.722 5.838 112 2HE LYS 14 HE1 LYS 14 -13.051 -12.768 4.242 113 1HZ LYS 14 HZ1 LYS 14 -14.743 -12.640 5.917 114 2HZ LYS 14 HZ2 LYS 14 -14.122 -13.987 6.728 115 3HZ LYS 14 HZ3 LYS 14 -14.816 -14.170 5.197 116 H GLN 15 HN GLN 15 -8.124 -18.370 4.965 117 HA GLN 15 HA GLN 15 -9.814 -20.485 3.806 118 1HB GLN 15 HB2 GLN 15 -6.866 -20.492 4.476 119 2HB GLN 15 HB1 GLN 15 -7.759 -21.893 3.896 120 1HG GLN 15 HG2 GLN 15 -8.090 -19.559 2.195 121 2HG GLN 15 HG1 GLN 15 -6.410 -20.070 2.350 122 1HE2 GLN 15 HE21 GLN 15 -9.599 -20.979 1.292 123 2HE2 GLN 15 HE22 GLN 15 -9.114 -22.327 0.327 124 H LYS 16 HN LYS 16 -7.797 -19.715 6.626 125 HA LYS 16 HA LYS 16 -9.620 -20.658 8.521 126 1HB LYS 16 HB2 LYS 16 -8.335 -22.700 9.282 127 2HB LYS 16 HB1 LYS 16 -9.243 -22.887 7.789 128 1HG LYS 16 HG2 LYS 16 -7.204 -22.598 6.494 129 2HG LYS 16 HG1 LYS 16 -6.284 -22.362 7.982 130 1HD LYS 16 HD2 LYS 16 -6.711 -24.605 8.686 131 2HD LYS 16 HD1 LYS 16 -7.867 -24.854 7.375 132 1HE LYS 16 HE2 LYS 16 -5.481 -24.038 6.152 133 2HE LYS 16 HE1 LYS 16 -5.012 -25.206 7.386 134 1HZ LYS 16 HZ1 LYS 16 -5.468 -26.599 5.666 135 2HZ LYS 16 HZ2 LYS 16 -6.643 -25.589 4.987 136 3HZ LYS 16 HZ3 LYS 16 -7.015 -26.523 6.346 137 H LYS 17 HN LYS 17 -6.100 -20.744 7.960 138 HA LYS 17 HA LYS 17 -5.543 -18.592 9.684 139 1HB LYS 17 HB2 LYS 17 -5.905 -21.120 10.985 140 2HB LYS 17 HB1 LYS 17 -4.217 -20.645 11.119 141 1HG LYS 17 HG2 LYS 17 -4.779 -18.621 12.213 142 2HG LYS 17 HG1 LYS 17 -6.492 -18.819 11.840 143 1HD LYS 17 HD2 LYS 17 -5.878 -21.138 13.188 144 2HD LYS 17 HD1 LYS 17 -4.911 -19.924 14.027 145 1HE LYS 17 HE2 LYS 17 -6.932 -18.542 14.302 146 2HE LYS 17 HE1 LYS 17 -7.882 -19.803 13.515 147 1HZ LYS 17 HZ1 LYS 17 -7.815 -19.735 16.059 148 2HZ LYS 17 HZ2 LYS 17 -6.268 -20.402 15.912 149 3HZ LYS 17 HZ3 LYS 17 -7.608 -21.234 15.301 150 H ALA 18 HN ALA 18 -4.473 -18.326 7.562 151 HA ALA 18 HA ALA 18 -2.059 -19.921 7.178 152 1HB ALA 18 HB1 ALA 18 -1.855 -18.558 5.072 153 2HB ALA 18 HB2 ALA 18 -3.409 -17.834 5.480 154 3HB ALA 18 HB3 ALA 18 -3.296 -19.568 5.183 155 H SER 19 HN SER 19 -2.929 -17.248 8.891 156 HA SER 19 HA SER 19 -1.720 -15.729 10.082 157 1HB SER 19 HB2 SER 19 0.816 -16.672 8.754 158 2HB SER 19 HB1 SER 19 0.614 -15.948 10.352 159 HG SER 19 HG SER 19 -0.171 -17.826 11.121 160 H PHE 20 HN PHE 20 -1.808 -13.657 9.613 161 HA PHE 20 HA PHE 20 -1.899 -12.657 6.997 162 1HB PHE 20 HB2 PHE 20 -2.830 -11.652 9.187 163 2HB PHE 20 HB1 PHE 20 -1.227 -10.951 9.381 164 HD1 PHE 20 HD1 PHE 20 -4.131 -11.107 7.084 165 HD2 PHE 20 HD2 PHE 20 -0.640 -8.983 8.275 166 HE1 PHE 20 HE1 PHE 20 -4.783 -9.231 5.632 167 HE2 PHE 20 HE2 PHE 20 -1.285 -7.103 6.825 168 HZ PHE 20 HZ PHE 20 -3.359 -7.225 5.501 169 H GLU 21 HN GLU 21 0.752 -12.978 9.261 170 HA GLU 21 HA GLU 21 2.615 -11.248 8.208 171 1HB GLU 21 HB2 GLU 21 2.672 -12.996 10.214 172 2HB GLU 21 HB1 GLU 21 3.563 -13.945 9.032 173 1HG GLU 21 HG2 GLU 21 5.191 -12.168 8.791 174 2HG GLU 21 HG1 GLU 21 4.277 -11.154 9.907 175 H GLU 22 HN GLU 22 2.246 -14.693 7.308 176 HA GLU 22 HA GLU 22 4.182 -14.752 5.320 177 1HB GLU 22 HB2 GLU 22 1.822 -16.383 6.027 178 2HB GLU 22 HB1 GLU 22 2.397 -16.552 4.375 179 1HG GLU 22 HG2 GLU 22 4.657 -17.044 5.272 180 2HG GLU 22 HG1 GLU 22 3.970 -17.018 6.896 181 H ALA 23 HN ALA 23 0.690 -14.136 4.971 182 HA ALA 23 HA ALA 23 0.722 -13.764 2.180 183 1HB ALA 23 HB1 ALA 23 -1.276 -12.216 3.676 184 2HB ALA 23 HB2 ALA 23 -1.227 -13.937 4.055 185 3HB ALA 23 HB3 ALA 23 -1.488 -13.408 2.393 186 H SER 24 HN SER 24 1.241 -11.566 4.864 187 HA SER 24 HA SER 24 1.148 -9.146 3.435 188 1HB SER 24 HB2 SER 24 1.034 -9.018 5.807 189 2HB SER 24 HB1 SER 24 2.527 -9.937 6.001 190 HG SER 24 HG SER 24 3.392 -8.022 6.116 191 H ASN 25 HN ASN 25 3.934 -11.116 4.445 192 HA ASN 25 HA ASN 25 5.933 -9.617 3.236 193 1HB ASN 25 HB2 ASN 25 5.660 -12.380 4.224 194 2HB ASN 25 HB1 ASN 25 6.911 -12.154 3.005 195 1HD2 ASN 25 HD21 ASN 25 5.883 -11.445 6.224 196 2HD2 ASN 25 HD22 ASN 25 7.359 -10.727 6.764 197 H GLN 26 HN GLN 26 3.994 -12.269 1.896 198 HA GLN 26 HA GLN 26 5.282 -12.445 -0.586 199 1HB GLN 26 HB2 GLN 26 3.142 -13.704 0.659 200 2HB GLN 26 HB1 GLN 26 2.416 -12.932 -0.745 201 1HG GLN 26 HG2 GLN 26 3.750 -14.135 -2.241 202 2HG GLN 26 HG1 GLN 26 4.889 -14.609 -0.979 203 1HE2 GLN 26 HE21 GLN 26 4.688 -16.584 -0.215 204 2HE2 GLN 26 HE22 GLN 26 3.276 -17.575 -0.307 205 H LEU 27 HN LEU 27 2.389 -10.598 0.354 206 HA LEU 27 HA LEU 27 1.846 -9.444 -2.120 207 1HB LEU 27 HB2 LEU 27 0.790 -9.293 0.430 208 2HB LEU 27 HB1 LEU 27 1.351 -7.656 0.132 209 HG LEU 27 HG LEU 27 -1.020 -7.969 -0.461 210 1HD1 LEU 27 HD11 LEU 27 0.490 -7.536 -3.009 211 2HD1 LEU 27 HD12 LEU 27 0.618 -6.395 -1.671 212 3HD1 LEU 27 HD13 LEU 27 -0.951 -6.713 -2.411 213 1HD2 LEU 27 HD21 LEU 27 -0.618 -10.386 -1.214 214 2HD2 LEU 27 HD22 LEU 27 -0.127 -9.682 -2.756 215 3HD2 LEU 27 HD23 LEU 27 -1.758 -9.411 -2.143 216 H ILE 28 HN ILE 28 3.903 -8.247 0.521 217 HA ILE 28 HA ILE 28 4.606 -5.824 -0.756 218 HB ILE 28 HB ILE 28 4.989 -6.832 1.750 219 1HG1 ILE 28 HG12 ILE 28 6.539 -4.744 1.985 220 2HG1 ILE 28 HG11 ILE 28 6.131 -4.474 0.291 221 1HG2 ILE 28 HG21 ILE 28 7.763 -6.613 0.610 222 2HG2 ILE 28 HG22 ILE 28 6.941 -8.153 0.854 223 3HG2 ILE 28 HG23 ILE 28 7.288 -7.111 2.233 224 1HD1 ILE 28 HD11 ILE 28 4.559 -4.019 2.686 225 2HD1 ILE 28 HD12 ILE 28 3.686 -4.930 1.454 226 3HD1 ILE 28 HD13 ILE 28 4.375 -3.355 1.063 227 H ASN 29 HN ASN 29 5.910 -9.066 -0.879 228 HA ASN 29 HA ASN 29 8.363 -8.425 -2.147 229 1HB ASN 29 HB2 ASN 29 6.820 -10.873 -1.563 230 2HB ASN 29 HB1 ASN 29 7.864 -10.973 -2.979 231 1HD2 ASN 29 HD21 ASN 29 10.071 -9.732 -2.428 232 2HD2 ASN 29 HD22 ASN 29 10.843 -10.337 -1.006 233 H HIS 30 HN HIS 30 5.201 -9.456 -3.370 234 HA HIS 30 HA HIS 30 5.877 -9.535 -6.093 235 1HB HIS 30 HB2 HIS 30 3.383 -9.455 -4.510 236 2HB HIS 30 HB1 HIS 30 3.245 -8.851 -6.160 237 HD1 HIS 30 HD1 HIS 30 4.840 -11.917 -4.540 238 HD2 HIS 30 HD2 HIS 30 2.528 -10.845 -7.821 239 HE1 HIS 30 HE1 HIS 30 4.387 -14.061 -5.772 240 HE2 HIS 30 HE2 HIS 30 2.909 -13.400 -7.701 241 H ILE 31 HN ILE 31 4.564 -6.940 -4.069 242 HA ILE 31 HA ILE 31 4.233 -5.005 -6.059 243 HB ILE 31 HB ILE 31 4.916 -4.653 -3.138 244 1HG1 ILE 31 HG12 ILE 31 2.276 -4.224 -4.541 245 2HG1 ILE 31 HG11 ILE 31 2.728 -5.766 -3.816 246 1HG2 ILE 31 HG21 ILE 31 4.208 -2.629 -5.243 247 2HG2 ILE 31 HG22 ILE 31 5.583 -2.633 -4.138 248 3HG2 ILE 31 HG23 ILE 31 3.959 -2.327 -3.523 249 1HD1 ILE 31 HD11 ILE 31 3.174 -4.180 -1.723 250 2HD1 ILE 31 HD12 ILE 31 1.598 -4.891 -2.070 251 3HD1 ILE 31 HD13 ILE 31 1.935 -3.225 -2.540 252 H GLU 32 HN GLU 32 7.023 -5.606 -3.929 253 HA GLU 32 HA GLU 32 8.702 -3.607 -4.872 254 1HB GLU 32 HB2 GLU 32 9.248 -6.327 -3.707 255 2HB GLU 32 HB1 GLU 32 10.563 -5.266 -4.198 256 1HG GLU 32 HG2 GLU 32 9.268 -3.532 -2.697 257 2HG GLU 32 HG1 GLU 32 8.645 -5.003 -1.947 258 H GLN 33 HN GLN 33 8.218 -6.895 -6.090 259 HA GLN 33 HA GLN 33 10.214 -6.857 -8.062 260 1HB GLN 33 HB2 GLN 33 7.665 -8.412 -7.729 261 2HB GLN 33 HB1 GLN 33 8.645 -8.597 -9.177 262 1HG GLN 33 HG2 GLN 33 10.456 -9.469 -7.972 263 2HG GLN 33 HG1 GLN 33 9.795 -8.932 -6.429 264 1HE2 GLN 33 HE21 GLN 33 9.864 -11.405 -8.791 265 2HE2 GLN 33 HE22 GLN 33 8.799 -12.508 -7.997 266 H PHE 34 HN PHE 34 6.760 -6.050 -8.230 267 HA PHE 34 HA PHE 34 6.603 -5.447 -10.942 268 1HB PHE 34 HB2 PHE 34 5.074 -4.561 -8.525 269 2HB PHE 34 HB1 PHE 34 4.774 -3.762 -10.065 270 HD1 PHE 34 HD1 PHE 34 4.508 -5.524 -12.088 271 HD2 PHE 34 HD2 PHE 34 3.685 -6.293 -7.985 272 HE1 PHE 34 HE1 PHE 34 2.988 -7.347 -12.739 273 HE2 PHE 34 HE2 PHE 34 2.165 -8.118 -8.627 274 HZ PHE 34 HZ PHE 34 1.816 -8.647 -11.007 275 H LEU 35 HN LEU 35 7.675 -3.491 -8.233 276 HA LEU 35 HA LEU 35 7.850 -1.016 -9.544 277 1HB LEU 35 HB2 LEU 35 9.057 -2.215 -7.110 278 2HB LEU 35 HB1 LEU 35 9.828 -0.777 -7.757 279 HG LEU 35 HG LEU 35 6.882 -0.860 -7.152 280 1HD1 LEU 35 HD11 LEU 35 9.065 0.066 -5.296 281 2HD1 LEU 35 HD12 LEU 35 8.170 -1.444 -5.122 282 3HD1 LEU 35 HD13 LEU 35 7.328 0.100 -4.996 283 1HD2 LEU 35 HD21 LEU 35 7.021 1.504 -7.203 284 2HD2 LEU 35 HD22 LEU 35 7.872 0.921 -8.633 285 3HD2 LEU 35 HD23 LEU 35 8.784 1.470 -7.227 286 H ASP 36 HN ASP 36 10.251 -3.592 -9.133 287 HA ASP 36 HA ASP 36 12.367 -2.305 -10.462 288 1HB ASP 36 HB2 ASP 36 12.379 -4.436 -8.989 289 2HB ASP 36 HB1 ASP 36 12.009 -5.290 -10.483 290 H THR 37 HN THR 37 9.466 -3.118 -11.749 291 HA THR 37 HA THR 37 10.608 -3.556 -14.421 292 HB THR 37 HB THR 37 7.958 -4.337 -14.612 293 HG1 THR 37 HG1 THR 37 7.551 -5.645 -12.867 294 1HG2 THR 37 HG21 THR 37 8.821 -6.408 -15.203 295 2HG2 THR 37 HG22 THR 37 10.113 -6.326 -14.006 296 3HG2 THR 37 HG23 THR 37 10.200 -5.340 -15.467 297 H ASN 38 HN ASN 38 10.363 -1.893 -15.700 298 HA ASN 38 HA ASN 38 8.556 0.264 -15.039 299 1HB ASN 38 HB2 ASN 38 9.567 1.168 -17.288 300 2HB ASN 38 HB1 ASN 38 10.556 1.128 -15.828 301 1HD2 ASN 38 HD21 ASN 38 12.404 0.028 -15.858 302 2HD2 ASN 38 HD22 ASN 38 12.933 -0.995 -17.145 303 H GLU 39 HN GLU 39 6.473 -0.007 -15.525 304 HA GLU 39 HA GLU 39 5.652 -0.349 -18.242 305 1HB GLU 39 HB2 GLU 39 5.503 -2.628 -16.342 306 2HB GLU 39 HB1 GLU 39 4.091 -2.344 -17.348 307 1HG GLU 39 HG2 GLU 39 6.894 -2.954 -18.236 308 2HG GLU 39 HG1 GLU 39 5.449 -3.938 -18.453 309 H THR 40 HN THR 40 3.779 0.712 -18.551 310 HA THR 40 HA THR 40 2.596 2.166 -16.450 311 HB THR 40 HB THR 40 1.129 1.659 -19.015 312 HG1 THR 40 HG1 THR 40 2.715 2.499 -20.125 313 1HG2 THR 40 HG21 THR 40 0.530 4.018 -18.755 314 2HG2 THR 40 HG22 THR 40 1.538 4.121 -17.312 315 3HG2 THR 40 HG23 THR 40 0.103 3.096 -17.313 316 HA PRO 41 HA PRO 41 -1.115 -0.949 -16.801 317 1HB PRO 41 HB2 PRO 41 0.104 -3.374 -17.931 318 2HB PRO 41 HB1 PRO 41 -1.394 -2.554 -18.388 319 1HG PRO 41 HG2 PRO 41 0.781 -2.515 -19.966 320 2HG PRO 41 HG1 PRO 41 -0.325 -1.133 -19.856 321 1HD PRO 41 HD2 PRO 41 2.342 -1.535 -18.548 322 2HD PRO 41 HD1 PRO 41 1.672 -0.081 -19.318 323 H TYR 42 HN TYR 42 2.111 -1.631 -15.914 324 HA TYR 42 HA TYR 42 1.434 -3.789 -14.099 325 1HB TYR 42 HB2 TYR 42 3.968 -2.426 -14.921 326 2HB TYR 42 HB1 TYR 42 3.938 -3.348 -13.421 327 HD1 TYR 42 HD1 TYR 42 2.308 -4.025 -16.713 328 HD2 TYR 42 HD2 TYR 42 5.156 -5.283 -13.814 329 HE1 TYR 42 HE1 TYR 42 2.678 -6.097 -17.984 330 HE2 TYR 42 HE2 TYR 42 5.534 -7.358 -15.077 331 HH TYR 42 HH TYR 42 5.216 -8.001 -17.702 332 H PHE 43 HN PHE 43 2.399 -0.386 -13.907 333 HA PHE 43 HA PHE 43 2.594 -0.215 -11.114 334 1HB PHE 43 HB2 PHE 43 2.131 1.780 -13.300 335 2HB PHE 43 HB1 PHE 43 1.971 2.284 -11.618 336 HD1 PHE 43 HD1 PHE 43 4.162 2.156 -14.279 337 HD2 PHE 43 HD2 PHE 43 4.013 1.375 -10.097 338 HE1 PHE 43 HE1 PHE 43 6.602 2.445 -14.141 339 HE2 PHE 43 HE2 PHE 43 6.451 1.663 -9.952 340 HZ PHE 43 HZ PHE 43 7.749 2.199 -11.976 341 H MET 44 HN MET 44 -0.155 -0.131 -13.263 342 HA MET 44 HA MET 44 -2.045 0.931 -11.447 343 1HB MET 44 HB2 MET 44 -2.078 0.181 -14.098 344 2HB MET 44 HB1 MET 44 -3.093 -1.042 -13.346 345 1HG MET 44 HG2 MET 44 -4.619 0.577 -13.910 346 2HG MET 44 HG1 MET 44 -4.271 0.969 -12.227 347 1HE MET 44 HE1 MET 44 -5.528 2.959 -14.673 348 2HE MET 44 HE2 MET 44 -4.847 4.448 -14.019 349 3HE MET 44 HE3 MET 44 -5.534 3.241 -12.932 350 H LYS 45 HN LYS 45 -0.746 -2.258 -11.991 351 HA LYS 45 HA LYS 45 -2.658 -3.679 -10.438 352 1HB LYS 45 HB2 LYS 45 -0.848 -4.488 -12.206 353 2HB LYS 45 HB1 LYS 45 0.127 -4.698 -10.756 354 1HG LYS 45 HG2 LYS 45 -1.024 -6.499 -10.090 355 2HG LYS 45 HG1 LYS 45 -2.577 -5.813 -10.575 356 1HD LYS 45 HD2 LYS 45 -1.937 -6.291 -12.954 357 2HD LYS 45 HD1 LYS 45 -0.537 -7.167 -12.333 358 1HE LYS 45 HE2 LYS 45 -2.369 -8.399 -10.898 359 2HE LYS 45 HE1 LYS 45 -3.431 -7.857 -12.196 360 1HZ LYS 45 HZ1 LYS 45 -1.028 -9.579 -12.447 361 2HZ LYS 45 HZ2 LYS 45 -1.849 -8.922 -13.771 362 3HZ LYS 45 HZ3 LYS 45 -2.636 -10.012 -12.744 363 H SER 46 HN SER 46 0.321 -1.977 -9.721 364 HA SER 46 HA SER 46 0.757 -3.093 -7.149 365 1HB SER 46 HB2 SER 46 1.651 -0.316 -7.552 366 2HB SER 46 HB1 SER 46 2.581 -1.747 -7.102 367 HG SER 46 HG SER 46 3.236 -1.780 -9.087 368 H ILE 47 HN ILE 47 -0.724 -0.049 -8.246 369 HA ILE 47 HA ILE 47 -1.517 0.908 -5.751 370 HB ILE 47 HB ILE 47 -3.101 1.266 -8.296 371 1HG1 ILE 47 HG12 ILE 47 -0.838 3.035 -7.374 372 2HG1 ILE 47 HG11 ILE 47 -0.585 1.701 -8.496 373 1HG2 ILE 47 HG21 ILE 47 -2.761 2.996 -5.850 374 2HG2 ILE 47 HG22 ILE 47 -4.204 2.088 -6.304 375 3HG2 ILE 47 HG23 ILE 47 -3.666 3.443 -7.297 376 1HD1 ILE 47 HD11 ILE 47 -2.028 4.270 -8.897 377 2HD1 ILE 47 HD12 ILE 47 -2.496 2.855 -9.841 378 3HD1 ILE 47 HD13 ILE 47 -0.844 3.466 -9.927 379 H ASP 48 HN ASP 48 -3.182 -1.215 -8.048 380 HA ASP 48 HA ASP 48 -5.585 -1.511 -6.645 381 1HB ASP 48 HB2 ASP 48 -4.649 -2.442 -9.015 382 2HB ASP 48 HB1 ASP 48 -4.568 -3.913 -8.046 383 H CYS 49 HN CYS 49 -2.447 -2.903 -6.168 384 HA CYS 49 HA CYS 49 -3.322 -4.972 -4.374 385 1HB CYS 49 HB2 CYS 49 -0.631 -3.880 -5.165 386 2HB CYS 49 HB1 CYS 49 -0.791 -5.028 -3.838 387 HG CYS 49 HG CYS 49 -2.408 -6.147 -6.482 388 H ILE 50 HN ILE 50 -1.785 -1.780 -4.057 389 HA ILE 50 HA ILE 50 -1.556 -1.781 -1.267 390 HB ILE 50 HB ILE 50 -0.815 -0.065 -3.260 391 1HG1 ILE 50 HG12 ILE 50 -0.959 0.869 -0.401 392 2HG1 ILE 50 HG11 ILE 50 0.080 -0.477 -0.874 393 1HG2 ILE 50 HG21 ILE 50 -1.853 2.049 -3.011 394 2HG2 ILE 50 HG22 ILE 50 -2.803 1.498 -1.631 395 3HG2 ILE 50 HG23 ILE 50 -3.148 0.875 -3.245 396 1HD1 ILE 50 HD11 ILE 50 1.042 1.922 -0.762 397 2HD1 ILE 50 HD12 ILE 50 0.257 2.120 -2.329 398 3HD1 ILE 50 HD13 ILE 50 1.480 0.869 -2.108 399 H ARG 51 HN ARG 51 -4.247 -1.056 -3.395 400 HA ARG 51 HA ARG 51 -5.883 0.187 -1.420 401 1HB ARG 51 HB2 ARG 51 -6.543 -1.095 -4.074 402 2HB ARG 51 HB1 ARG 51 -7.726 -0.262 -3.075 403 1HG ARG 51 HG2 ARG 51 -5.746 1.600 -3.255 404 2HG ARG 51 HG1 ARG 51 -5.652 0.812 -4.831 405 1HD ARG 51 HD2 ARG 51 -8.318 1.602 -3.755 406 2HD ARG 51 HD1 ARG 51 -7.267 2.843 -4.435 407 HE ARG 51 HE ARG 51 -7.452 0.658 -6.212 408 1HH1 ARG 51 HH11 ARG 51 -9.321 3.333 -4.990 409 2HH1 ARG 51 HH12 ARG 51 -10.293 3.473 -6.416 410 1HH2 ARG 51 HH21 ARG 51 -8.727 0.836 -8.093 411 2HH2 ARG 51 HH22 ARG 51 -9.956 2.053 -8.181 412 H ALA 52 HN ALA 52 -5.405 -3.107 -2.511 413 HA ALA 52 HA ALA 52 -7.674 -4.164 -1.090 414 1HB ALA 52 HB1 ALA 52 -5.311 -5.593 -2.307 415 2HB ALA 52 HB2 ALA 52 -6.843 -5.258 -3.114 416 3HB ALA 52 HB3 ALA 52 -6.796 -6.351 -1.732 417 H PHE 53 HN PHE 53 -4.227 -3.812 -0.543 418 HA PHE 53 HA PHE 53 -4.195 -5.364 1.864 419 1HB PHE 53 HB2 PHE 53 -2.241 -4.699 0.210 420 2HB PHE 53 HB1 PHE 53 -2.101 -3.311 1.287 421 HD1 PHE 53 HD1 PHE 53 -2.329 -4.143 3.906 422 HD2 PHE 53 HD2 PHE 53 -0.746 -6.368 0.641 423 HE1 PHE 53 HE1 PHE 53 -1.004 -5.495 5.476 424 HE2 PHE 53 HE2 PHE 53 0.581 -7.725 2.206 425 HZ PHE 53 HZ PHE 53 0.454 -7.288 4.627 426 H ARG 54 HN ARG 54 -3.980 -1.871 1.180 427 HA ARG 54 HA ARG 54 -3.834 -0.870 3.718 428 1HB ARG 54 HB2 ARG 54 -5.186 0.155 1.248 429 2HB ARG 54 HB1 ARG 54 -5.344 1.040 2.761 430 1HG ARG 54 HG2 ARG 54 -2.949 1.305 2.902 431 2HG ARG 54 HG1 ARG 54 -2.733 0.326 1.448 432 1HD ARG 54 HD2 ARG 54 -2.560 2.575 0.751 433 2HD ARG 54 HD1 ARG 54 -4.161 2.030 0.246 434 HE ARG 54 HE ARG 54 -3.566 3.893 2.429 435 1HH1 ARG 54 HH11 ARG 54 -5.885 2.248 0.415 436 2HH1 ARG 54 HH12 ARG 54 -7.206 3.266 0.882 437 1HH2 ARG 54 HH21 ARG 54 -5.300 5.238 3.050 438 2HH2 ARG 54 HH22 ARG 54 -6.873 4.966 2.380 439 H GLU 55 HN GLU 55 -6.794 -1.834 2.011 440 HA GLU 55 HA GLU 55 -8.541 -1.078 4.124 441 1HB GLU 55 HB2 GLU 55 -8.825 -2.728 1.640 442 2HB GLU 55 HB1 GLU 55 -10.115 -2.716 2.836 443 1HG GLU 55 HG2 GLU 55 -10.362 -0.331 2.609 444 2HG GLU 55 HG1 GLU 55 -8.984 -0.262 1.513 445 H GLU 56 HN GLU 56 -7.121 -4.179 3.146 446 HA GLU 56 HA GLU 56 -8.497 -5.772 5.013 447 1HB GLU 56 HB2 GLU 56 -5.983 -6.118 3.421 448 2HB GLU 56 HB1 GLU 56 -6.431 -7.312 4.634 449 1HG GLU 56 HG2 GLU 56 -8.617 -6.607 2.841 450 2HG GLU 56 HG1 GLU 56 -7.223 -7.306 2.017 451 H ALA 57 HN ALA 57 -5.507 -3.910 5.284 452 HA ALA 57 HA ALA 57 -4.872 -5.095 7.851 453 1HB ALA 57 HB1 ALA 57 -2.841 -3.928 7.749 454 2HB ALA 57 HB2 ALA 57 -3.472 -2.759 6.589 455 3HB ALA 57 HB3 ALA 57 -3.165 -4.422 6.088 456 H ILE 58 HN ILE 58 -5.614 -1.822 6.629 457 HA ILE 58 HA ILE 58 -5.643 -0.500 9.070 458 HB ILE 58 HB ILE 58 -7.235 0.037 6.567 459 1HG1 ILE 58 HG12 ILE 58 -4.950 1.619 7.739 460 2HG1 ILE 58 HG11 ILE 58 -4.682 0.258 6.652 461 1HG2 ILE 58 HG21 ILE 58 -8.551 1.053 8.217 462 2HG2 ILE 58 HG22 ILE 58 -7.519 2.350 7.614 463 3HG2 ILE 58 HG23 ILE 58 -7.144 1.565 9.148 464 1HD1 ILE 58 HD11 ILE 58 -6.306 1.537 5.083 465 2HD1 ILE 58 HD12 ILE 58 -4.624 2.049 5.217 466 3HD1 ILE 58 HD13 ILE 58 -5.884 2.924 6.087 467 H LYS 59 HN LYS 59 -8.335 -2.129 7.400 468 HA LYS 59 HA LYS 59 -10.392 -1.541 9.111 469 1HB LYS 59 HB2 LYS 59 -9.767 -3.910 7.409 470 2HB LYS 59 HB1 LYS 59 -11.106 -4.029 8.541 471 1HG LYS 59 HG2 LYS 59 -11.951 -1.856 7.504 472 2HG LYS 59 HG1 LYS 59 -10.789 -2.174 6.211 473 1HD LYS 59 HD2 LYS 59 -11.858 -4.214 5.637 474 2HD LYS 59 HD1 LYS 59 -12.849 -4.184 7.097 475 1HE LYS 59 HE2 LYS 59 -13.021 -2.014 5.030 476 2HE LYS 59 HE1 LYS 59 -13.949 -3.507 4.881 477 1HZ LYS 59 HZ1 LYS 59 -15.040 -1.517 6.020 478 2HZ LYS 59 HZ2 LYS 59 -14.059 -1.887 7.346 479 3HZ LYS 59 HZ3 LYS 59 -15.173 -3.025 6.778 480 H PHE 60 HN PHE 60 -8.097 -4.270 9.430 481 HA PHE 60 HA PHE 60 -7.933 -4.049 12.220 482 1HB PHE 60 HB2 PHE 60 -9.148 -6.098 12.911 483 2HB PHE 60 HB1 PHE 60 -10.216 -4.838 12.307 484 HD1 PHE 60 HD1 PHE 60 -9.205 -8.244 12.016 485 HD2 PHE 60 HD2 PHE 60 -11.048 -5.043 9.909 486 HE1 PHE 60 HE1 PHE 60 -10.207 -9.856 10.451 487 HE2 PHE 60 HE2 PHE 60 -12.050 -6.647 8.337 488 HZ PHE 60 HZ PHE 60 -11.631 -9.058 8.608 489 H SER 61 HN SER 61 -5.799 -4.414 12.067 490 HA SER 61 HA SER 61 -4.804 -7.006 12.079 491 1HB SER 61 HB2 SER 61 -5.124 -5.909 9.411 492 2HB SER 61 HB1 SER 61 -3.440 -6.308 9.750 493 HG SER 61 HG SER 61 -4.075 -8.406 10.246 494 H GLU 62 HN GLU 62 -3.050 -4.660 10.198 495 HA GLU 62 HA GLU 62 -1.568 -3.803 12.578 496 1HB GLU 62 HB2 GLU 62 -0.440 -5.196 10.166 497 2HB GLU 62 HB1 GLU 62 0.551 -4.082 11.102 498 1HG GLU 62 HG2 GLU 62 0.149 -5.434 13.109 499 2HG GLU 62 HG1 GLU 62 -0.804 -6.562 12.143 500 H GLU 63 HN GLU 63 -3.244 -2.083 11.685 501 HA GLU 63 HA GLU 63 -2.734 -0.548 9.452 502 1HB GLU 63 HB2 GLU 63 -3.770 1.341 10.753 503 2HB GLU 63 HB1 GLU 63 -4.713 -0.142 10.704 504 1HG GLU 63 HG2 GLU 63 -2.872 0.239 12.994 505 2HG GLU 63 HG1 GLU 63 -4.334 1.227 12.936 506 H GLN 64 HN GLN 64 -1.137 -0.413 12.600 507 HA GLN 64 HA GLN 64 0.339 1.981 12.114 508 1HB GLN 64 HB2 GLN 64 -0.159 0.756 14.347 509 2HB GLN 64 HB1 GLN 64 1.247 -0.220 13.949 510 1HG GLN 64 HG2 GLN 64 2.707 1.569 14.146 511 2HG GLN 64 HG1 GLN 64 1.424 2.763 13.953 512 1HE2 GLN 64 HE21 GLN 64 3.451 1.348 16.119 513 2HE2 GLN 64 HE22 GLN 64 2.593 1.683 17.581 514 H ARG 65 HN ARG 65 0.654 -1.115 10.825 515 HA ARG 65 HA ARG 65 3.510 -1.020 10.453 516 1HB ARG 65 HB2 ARG 65 2.214 -3.156 10.634 517 2HB ARG 65 HB1 ARG 65 1.497 -2.801 9.068 518 1HG ARG 65 HG2 ARG 65 3.789 -2.779 8.096 519 2HG ARG 65 HG1 ARG 65 4.401 -3.320 9.661 520 1HD ARG 65 HD2 ARG 65 2.433 -5.126 9.248 521 2HD ARG 65 HD1 ARG 65 2.921 -4.798 7.584 522 HE ARG 65 HE ARG 65 5.271 -5.221 8.883 523 1HH1 ARG 65 HH11 ARG 65 2.311 -7.032 8.562 524 2HH1 ARG 65 HH12 ARG 65 3.090 -8.574 8.699 525 1HH2 ARG 65 HH21 ARG 65 6.303 -7.246 9.062 526 2HH2 ARG 65 HH22 ARG 65 5.358 -8.695 8.983 527 H PHE 66 HN PHE 66 0.761 -0.992 8.179 528 HA PHE 66 HA PHE 66 2.067 -0.321 5.879 529 1HB PHE 66 HB2 PHE 66 -0.589 -0.492 6.618 530 2HB PHE 66 HB1 PHE 66 -0.423 1.185 6.092 531 HD1 PHE 66 HD1 PHE 66 -0.263 1.728 3.815 532 HD2 PHE 66 HD2 PHE 66 0.120 -2.324 5.054 533 HE1 PHE 66 HE1 PHE 66 -0.338 1.005 1.464 534 HE2 PHE 66 HE2 PHE 66 0.040 -3.054 2.706 535 HZ PHE 66 HZ PHE 66 -0.187 -1.387 0.908 536 H ASN 67 HN ASN 67 0.855 2.012 8.285 537 HA ASN 67 HA ASN 67 1.725 4.326 6.916 538 1HB ASN 67 HB2 ASN 67 1.848 5.192 9.451 539 2HB ASN 67 HB1 ASN 67 0.314 4.961 8.623 540 1HD2 ASN 67 HD21 ASN 67 -0.212 4.944 11.015 541 2HD2 ASN 67 HD22 ASN 67 -0.253 3.391 11.769 542 H ASN 68 HN ASN 68 3.156 2.627 9.655 543 HA ASN 68 HA ASN 68 5.556 3.810 9.963 544 1HB ASN 68 HB2 ASN 68 4.879 1.803 11.225 545 2HB ASN 68 HB1 ASN 68 5.201 0.807 9.809 546 1HD2 ASN 68 HD21 ASN 68 7.337 0.479 9.149 547 2HD2 ASN 68 HD22 ASN 68 8.667 0.755 10.216 548 H PHE 69 HN PHE 69 4.971 1.281 7.518 549 HA PHE 69 HA PHE 69 7.505 1.607 6.264 550 1HB PHE 69 HB2 PHE 69 5.845 -0.413 6.207 551 2HB PHE 69 HB1 PHE 69 5.123 0.451 4.851 552 HD1 PHE 69 HD1 PHE 69 6.296 0.682 2.757 553 HD2 PHE 69 HD2 PHE 69 8.064 -1.365 6.042 554 HE1 PHE 69 HE1 PHE 69 7.989 -0.271 1.247 555 HE2 PHE 69 HE2 PHE 69 9.762 -2.319 4.538 556 HZ PHE 69 HZ PHE 69 9.726 -1.773 2.137 557 H LEU 70 HN LEU 70 4.346 3.013 5.820 558 HA LEU 70 HA LEU 70 4.661 4.126 3.270 559 1HB LEU 70 HB2 LEU 70 2.783 4.332 5.410 560 2HB LEU 70 HB1 LEU 70 3.184 5.956 4.878 561 HG LEU 70 HG LEU 70 2.113 3.735 3.130 562 1HD1 LEU 70 HD11 LEU 70 0.200 4.396 4.126 563 2HD1 LEU 70 HD12 LEU 70 0.309 5.721 2.968 564 3HD1 LEU 70 HD13 LEU 70 0.867 5.950 4.624 565 1HD2 LEU 70 HD21 LEU 70 2.973 6.549 2.510 566 2HD2 LEU 70 HD22 LEU 70 1.882 5.631 1.472 567 3HD2 LEU 70 HD23 LEU 70 3.521 5.048 1.764 568 H LYS 71 HN LYS 71 5.575 5.334 6.461 569 HA LYS 71 HA LYS 71 6.469 7.880 5.650 570 1HB LYS 71 HB2 LYS 71 7.017 6.112 8.009 571 2HB LYS 71 HB1 LYS 71 7.989 7.557 7.771 572 1HG LYS 71 HG2 LYS 71 5.936 8.913 7.767 573 2HG LYS 71 HG1 LYS 71 4.995 7.450 8.078 574 1HD LYS 71 HD2 LYS 71 6.466 7.133 10.131 575 2HD LYS 71 HD1 LYS 71 7.015 8.787 9.862 576 1HE LYS 71 HE2 LYS 71 4.798 9.641 10.130 577 2HE LYS 71 HE1 LYS 71 4.119 8.014 10.155 578 1HZ LYS 71 HZ1 LYS 71 4.417 9.182 12.369 579 2HZ LYS 71 HZ2 LYS 71 6.076 8.910 12.183 580 3HZ LYS 71 HZ3 LYS 71 5.008 7.601 12.259 581 H ALA 72 HN ALA 72 7.914 4.716 5.662 582 HA ALA 72 HA ALA 72 10.576 5.599 5.044 583 1HB ALA 72 HB1 ALA 72 11.100 3.274 4.744 584 2HB ALA 72 HB2 ALA 72 9.391 2.856 4.620 585 3HB ALA 72 HB3 ALA 72 10.052 3.423 6.154 586 H LEU 73 HN LEU 73 7.812 4.355 3.256 587 HA LEU 73 HA LEU 73 8.945 4.170 0.716 588 1HB LEU 73 HB2 LEU 73 6.735 3.285 1.227 589 2HB LEU 73 HB1 LEU 73 6.124 4.906 1.510 590 HG LEU 73 HG LEU 73 6.693 5.388 -0.931 591 1HD1 LEU 73 HD11 LEU 73 6.784 3.436 -2.405 592 2HD1 LEU 73 HD12 LEU 73 6.838 2.377 -0.995 593 3HD1 LEU 73 HD13 LEU 73 8.167 3.493 -1.314 594 1HD2 LEU 73 HD21 LEU 73 4.502 3.708 0.135 595 2HD2 LEU 73 HD22 LEU 73 4.649 3.821 -1.618 596 3HD2 LEU 73 HD23 LEU 73 4.445 5.284 -0.654 597 H GLN 74 HN GLN 74 7.481 6.894 2.394 598 HA GLN 74 HA GLN 74 7.587 8.771 0.321 599 1HB GLN 74 HB2 GLN 74 6.471 8.950 2.641 600 2HB GLN 74 HB1 GLN 74 8.044 9.494 3.208 601 1HG GLN 74 HG2 GLN 74 7.106 10.890 0.823 602 2HG GLN 74 HG1 GLN 74 6.065 11.096 2.232 603 1HE2 GLN 74 HE21 GLN 74 8.374 12.584 0.635 604 2HE2 GLN 74 HE22 GLN 74 9.231 13.364 1.917 605 H GLU 75 HN GLU 75 9.933 8.076 2.902 606 HA GLU 75 HA GLU 75 11.876 9.932 2.061 607 1HB GLU 75 HB2 GLU 75 11.769 7.631 3.908 608 2HB GLU 75 HB1 GLU 75 13.366 8.023 3.289 609 1HG GLU 75 HG2 GLU 75 13.012 10.365 4.052 610 2HG GLU 75 HG1 GLU 75 11.510 9.836 4.808 611 H LYS 76 HN LYS 76 11.008 6.813 0.870 612 HA LYS 76 HA LYS 76 13.513 6.331 -0.486 613 1HB LYS 76 HB2 LYS 76 10.892 4.913 -0.273 614 2HB LYS 76 HB1 LYS 76 11.950 4.527 -1.622 615 1HG LYS 76 HG2 LYS 76 13.730 3.928 -0.077 616 2HG LYS 76 HG1 LYS 76 12.698 4.353 1.289 617 1HD LYS 76 HD2 LYS 76 11.096 2.616 0.586 618 2HD LYS 76 HD1 LYS 76 12.184 2.170 -0.730 619 1HE LYS 76 HE2 LYS 76 12.853 0.642 0.818 620 2HE LYS 76 HE1 LYS 76 13.914 1.975 1.271 621 1HZ LYS 76 HZ1 LYS 76 11.262 1.598 2.528 622 2HZ LYS 76 HZ2 LYS 76 12.570 2.513 3.088 623 3HZ LYS 76 HZ3 LYS 76 12.646 0.824 3.120 624 H VAL 77 HN VAL 77 10.177 7.067 -1.433 625 HA VAL 77 HA VAL 77 10.665 7.363 -4.180 626 HB VAL 77 HB VAL 77 8.394 7.133 -3.268 627 1HG1 VAL 77 HG11 VAL 77 8.779 9.944 -2.243 628 2HG1 VAL 77 HG12 VAL 77 8.677 8.488 -1.253 629 3HG1 VAL 77 HG13 VAL 77 7.280 9.016 -2.190 630 1HG2 VAL 77 HG21 VAL 77 8.894 8.255 -5.479 631 2HG2 VAL 77 HG22 VAL 77 8.597 9.787 -4.657 632 3HG2 VAL 77 HG23 VAL 77 7.313 8.584 -4.773 633 H GLU 78 HN GLU 78 11.195 9.417 -1.452 634 HA GLU 78 HA GLU 78 11.394 11.907 -2.707 635 1HB GLU 78 HB2 GLU 78 12.266 10.723 -0.167 636 2HB GLU 78 HB1 GLU 78 13.314 12.014 -0.739 637 1HG GLU 78 HG2 GLU 78 11.192 13.390 -1.017 638 2HG GLU 78 HG1 GLU 78 10.398 12.141 -0.059 639 H ILE 79 HN ILE 79 13.879 9.478 -1.992 640 HA ILE 79 HA ILE 79 16.012 10.735 -3.284 641 HB ILE 79 HB ILE 79 15.644 7.745 -3.197 642 1HG1 ILE 79 HG12 ILE 79 17.167 8.941 -1.012 643 2HG1 ILE 79 HG11 ILE 79 15.471 9.428 -1.005 644 1HG2 ILE 79 HG21 ILE 79 18.180 7.948 -2.793 645 2HG2 ILE 79 HG22 ILE 79 17.996 9.587 -3.417 646 3HG2 ILE 79 HG23 ILE 79 17.565 8.206 -4.426 647 1HD1 ILE 79 HD11 ILE 79 16.656 6.706 -0.710 648 2HD1 ILE 79 HD12 ILE 79 14.995 6.910 -1.269 649 3HD1 ILE 79 HD13 ILE 79 15.477 7.536 0.307 650 H LYS 80 HN LYS 80 13.219 9.968 -4.734 651 HA LYS 80 HA LYS 80 12.572 10.082 -6.890 652 1HB LYS 80 HB2 LYS 80 13.950 11.114 -8.299 653 2HB LYS 80 HB1 LYS 80 15.163 11.034 -7.033 654 1HG LYS 80 HG2 LYS 80 16.207 9.170 -7.997 655 2HG LYS 80 HG1 LYS 80 14.819 8.821 -9.029 656 1HD LYS 80 HD2 LYS 80 15.792 9.998 -10.646 657 2HD LYS 80 HD1 LYS 80 15.609 11.442 -9.649 658 1HE LYS 80 HE2 LYS 80 17.775 11.336 -8.863 659 2HE LYS 80 HE1 LYS 80 17.907 9.603 -9.157 660 1HZ LYS 80 HZ1 LYS 80 19.026 11.431 -10.715 661 2HZ LYS 80 HZ2 LYS 80 17.539 11.279 -11.505 662 3HZ LYS 80 HZ3 LYS 80 18.523 9.920 -11.286 663 H GLN 81 HN GLN 81 11.485 8.354 -7.245 664 HA GLN 81 HA GLN 81 12.638 6.110 -8.603 665 1HB GLN 81 HB2 GLN 81 12.393 5.994 -5.739 666 2HB GLN 81 HB1 GLN 81 11.338 4.796 -6.478 667 1HG GLN 81 HG2 GLN 81 13.447 4.208 -7.883 668 2HG GLN 81 HG1 GLN 81 14.307 5.024 -6.578 669 1HE2 GLN 81 HE21 GLN 81 14.368 2.225 -7.369 670 2HE2 GLN 81 HE22 GLN 81 13.885 1.320 -5.979 671 H LEU 82 HN LEU 82 9.798 6.963 -6.609 672 HA LEU 82 HA LEU 82 8.113 6.105 -8.866 673 1HB LEU 82 HB2 LEU 82 6.428 5.671 -6.861 674 2HB LEU 82 HB1 LEU 82 7.542 4.444 -7.437 675 HG LEU 82 HG LEU 82 8.655 6.141 -5.324 676 1HD1 LEU 82 HD11 LEU 82 6.603 4.171 -4.422 677 2HD1 LEU 82 HD12 LEU 82 6.120 5.821 -4.819 678 3HD1 LEU 82 HD13 LEU 82 7.315 5.532 -3.554 679 1HD2 LEU 82 HD21 LEU 82 8.413 3.237 -4.986 680 2HD2 LEU 82 HD22 LEU 82 9.830 4.281 -4.874 681 3HD2 LEU 82 HD23 LEU 82 9.251 3.747 -6.452 682 H ASN 83 HN ASN 83 8.756 8.645 -8.963 683 HA ASN 83 HA ASN 83 7.240 10.438 -7.410 684 1HB ASN 83 HB2 ASN 83 9.158 11.168 -8.747 685 2HB ASN 83 HB1 ASN 83 8.299 10.757 -10.229 686 1HD2 ASN 83 HD21 ASN 83 8.166 12.822 -7.374 687 2HD2 ASN 83 HD22 ASN 83 7.320 14.123 -8.133 688 H HIS 84 HN HIS 84 6.555 8.697 -10.379 689 HA HIS 84 HA HIS 84 4.128 10.013 -11.013 690 1HB HIS 84 HB2 HIS 84 3.729 7.758 -12.282 691 2HB HIS 84 HB1 HIS 84 5.009 8.844 -12.816 692 HD1 HIS 84 HD1 HIS 84 7.470 8.122 -12.264 693 HD2 HIS 84 HD2 HIS 84 4.571 5.288 -11.358 694 HE1 HIS 84 HE1 HIS 84 8.724 5.975 -11.893 695 HE2 HIS 84 HE2 HIS 84 6.961 4.312 -11.206 696 H PHE 85 HN PHE 85 4.873 7.039 -9.236 697 HA PHE 85 HA PHE 85 2.329 6.077 -8.775 698 1HB PHE 85 HB2 PHE 85 4.699 5.176 -8.072 699 2HB PHE 85 HB1 PHE 85 4.347 6.011 -6.561 700 HD1 PHE 85 HD1 PHE 85 3.066 3.426 -8.885 701 HD2 PHE 85 HD2 PHE 85 2.973 5.027 -4.942 702 HE1 PHE 85 HE1 PHE 85 1.761 1.482 -8.130 703 HE2 PHE 85 HE2 PHE 85 1.665 3.082 -4.178 704 HZ PHE 85 HZ PHE 85 1.059 1.309 -5.776 705 H TRP 86 HN TRP 86 4.143 8.460 -6.856 706 HA TRP 86 HA TRP 86 2.280 8.826 -4.823 707 1HB TRP 86 HB2 TRP 86 4.684 9.676 -4.991 708 2HB TRP 86 HB1 TRP 86 4.026 11.018 -5.923 709 HD1 TRP 86 HD1 TRP 86 3.754 13.059 -4.473 710 HE1 TRP 86 HE1 TRP 86 3.084 13.543 -2.030 711 HE3 TRP 86 HE3 TRP 86 3.048 8.265 -2.876 712 HZ2 TRP 86 HZ2 TRP 86 2.353 12.070 0.271 713 HZ3 TRP 86 HZ3 TRP 86 2.364 7.881 -0.544 714 HH2 TRP 86 HH2 TRP 86 2.022 9.745 0.994 715 H GLU 87 HN GLU 87 2.590 10.457 -7.959 716 HA GLU 87 HA GLU 87 0.501 12.317 -7.542 717 1HB GLU 87 HB2 GLU 87 1.683 11.183 -10.083 718 2HB GLU 87 HB1 GLU 87 0.499 12.482 -10.055 719 1HG GLU 87 HG2 GLU 87 2.752 13.012 -8.311 720 2HG GLU 87 HG1 GLU 87 3.240 12.752 -9.986 721 H ILE 88 HN ILE 88 0.608 9.079 -8.953 722 HA ILE 88 HA ILE 88 -2.162 9.038 -9.657 723 HB ILE 88 HB ILE 88 -0.401 6.625 -9.236 724 1HG1 ILE 88 HG12 ILE 88 -0.773 7.850 -11.932 725 2HG1 ILE 88 HG11 ILE 88 0.398 8.589 -10.841 726 1HG2 ILE 88 HG21 ILE 88 -1.894 5.725 -11.063 727 2HG2 ILE 88 HG22 ILE 88 -2.908 7.146 -10.813 728 3HG2 ILE 88 HG23 ILE 88 -2.665 5.994 -9.499 729 1HD1 ILE 88 HD11 ILE 88 1.583 7.066 -12.196 730 2HD1 ILE 88 HD12 ILE 88 0.394 5.791 -11.928 731 3HD1 ILE 88 HD13 ILE 88 1.440 6.314 -10.609 732 H VAL 89 HN VAL 89 -0.420 8.617 -6.777 733 HA VAL 89 HA VAL 89 -2.313 6.880 -5.457 734 HB VAL 89 HB VAL 89 0.154 8.339 -4.575 735 1HG1 VAL 89 HG11 VAL 89 -0.281 7.371 -2.274 736 2HG1 VAL 89 HG12 VAL 89 -1.956 7.163 -2.782 737 3HG1 VAL 89 HG13 VAL 89 -1.246 8.776 -2.723 738 1HG2 VAL 89 HG21 VAL 89 -0.275 5.551 -3.814 739 2HG2 VAL 89 HG22 VAL 89 1.107 6.313 -4.599 740 3HG2 VAL 89 HG23 VAL 89 -0.293 5.827 -5.555 741 H VAL 90 HN VAL 90 -1.536 10.330 -5.513 742 HA VAL 90 HA VAL 90 -3.475 11.017 -3.515 743 HB VAL 90 HB VAL 90 -1.454 12.411 -4.019 744 1HG1 VAL 90 HG11 VAL 90 -1.385 12.346 -6.399 745 2HG1 VAL 90 HG12 VAL 90 -1.665 14.021 -5.920 746 3HG1 VAL 90 HG13 VAL 90 -3.002 13.041 -6.524 747 1HG2 VAL 90 HG21 VAL 90 -2.516 14.479 -3.567 748 2HG2 VAL 90 HG22 VAL 90 -3.528 13.231 -2.837 749 3HG2 VAL 90 HG23 VAL 90 -4.004 13.971 -4.366 750 H GLN 91 HN GLN 91 -3.413 10.680 -6.966 751 HA GLN 91 HA GLN 91 -5.898 12.005 -7.465 752 1HB GLN 91 HB2 GLN 91 -4.037 10.301 -9.070 753 2HB GLN 91 HB1 GLN 91 -5.661 10.596 -9.676 754 1HG GLN 91 HG2 GLN 91 -5.265 12.997 -9.600 755 2HG GLN 91 HG1 GLN 91 -3.644 12.715 -8.966 756 1HE2 GLN 91 HE21 GLN 91 -5.501 13.140 -11.719 757 2HE2 GLN 91 HE22 GLN 91 -4.331 12.668 -12.899 758 H ASP 92 HN ASP 92 -4.925 8.567 -7.445 759 HA ASP 92 HA ASP 92 -7.419 7.458 -7.836 760 1HB ASP 92 HB2 ASP 92 -5.202 6.258 -7.801 761 2HB ASP 92 HB1 ASP 92 -5.301 6.267 -6.043 762 H GLY 93 HN GLY 93 -6.272 9.104 -5.051 763 1HA GLY 93 HA2 GLY 93 -7.817 9.876 -3.410 764 2HA GLY 93 HA1 GLY 93 -8.807 8.456 -3.718 765 H ILE 94 HN ILE 94 -6.283 6.728 -3.548 766 HA ILE 94 HA ILE 94 -6.567 5.793 -0.995 767 HB ILE 94 HB ILE 94 -3.979 5.200 -1.286 768 1HG1 ILE 94 HG12 ILE 94 -4.922 5.772 -4.107 769 2HG1 ILE 94 HG11 ILE 94 -3.705 6.699 -3.233 770 1HG2 ILE 94 HG21 ILE 94 -4.659 3.149 -2.181 771 2HG2 ILE 94 HG22 ILE 94 -5.985 3.882 -3.084 772 3HG2 ILE 94 HG23 ILE 94 -6.081 3.750 -1.328 773 1HD1 ILE 94 HD11 ILE 94 -2.295 4.688 -3.120 774 2HD1 ILE 94 HD12 ILE 94 -2.644 5.190 -4.775 775 3HD1 ILE 94 HD13 ILE 94 -3.500 3.818 -4.070 776 H THR 95 HN THR 95 -6.432 6.824 0.854 777 HA THR 95 HA THR 95 -4.608 9.076 1.157 778 HB THR 95 HB THR 95 -5.816 9.609 3.183 779 HG1 THR 95 HG1 THR 95 -7.089 8.196 4.169 780 1HG2 THR 95 HG21 THR 95 -7.971 10.109 2.268 781 2HG2 THR 95 HG22 THR 95 -7.832 8.805 1.088 782 3HG2 THR 95 HG23 THR 95 -6.795 10.227 0.959 783 H LEU 96 HN LEU 96 -4.247 9.080 3.859 784 HA LEU 96 HA LEU 96 -2.134 7.090 4.098 785 1HB LEU 96 HB2 LEU 96 -2.761 9.698 5.400 786 2HB LEU 96 HB1 LEU 96 -1.800 8.541 6.303 787 HG LEU 96 HG LEU 96 -0.627 10.351 4.841 788 1HD1 LEU 96 HD11 LEU 96 1.056 8.386 4.176 789 2HD1 LEU 96 HD12 LEU 96 0.046 7.522 5.334 790 3HD1 LEU 96 HD13 LEU 96 0.886 8.994 5.822 791 1HD2 LEU 96 HD21 LEU 96 -2.000 9.587 2.811 792 2HD2 LEU 96 HD22 LEU 96 -0.871 8.234 2.737 793 3HD2 LEU 96 HD23 LEU 96 -0.277 9.888 2.587 794 H ILE 97 HN ILE 97 -1.974 6.975 6.899 795 HA ILE 97 HA ILE 97 -4.326 5.310 7.477 796 HB ILE 97 HB ILE 97 -1.440 4.999 8.052 797 1HG1 ILE 97 HG12 ILE 97 -2.290 2.539 7.976 798 2HG1 ILE 97 HG11 ILE 97 -3.784 3.248 7.365 799 1HG2 ILE 97 HG21 ILE 97 -3.569 4.248 10.038 800 2HG2 ILE 97 HG22 ILE 97 -2.111 5.208 10.306 801 3HG2 ILE 97 HG23 ILE 97 -1.984 3.475 9.989 802 1HD1 ILE 97 HD11 ILE 97 -1.049 3.459 6.123 803 2HD1 ILE 97 HD12 ILE 97 -2.493 4.284 5.533 804 3HD1 ILE 97 HD13 ILE 97 -2.419 2.522 5.526 805 H THR 98 HN THR 98 -5.741 6.404 8.698 806 HA THR 98 HA THR 98 -4.720 8.111 10.856 807 HB THR 98 HB THR 98 -7.566 8.266 10.620 808 HG1 THR 98 HG1 THR 98 -6.114 8.499 8.179 809 1HG2 THR 98 HG21 THR 98 -6.778 10.634 9.738 810 2HG2 THR 98 HG22 THR 98 -5.214 10.068 10.327 811 3HG2 THR 98 HG23 THR 98 -6.586 10.173 11.430 812 H LYS 99 HN LYS 99 -5.146 7.685 12.970 813 HA LYS 99 HA LYS 99 -5.708 5.115 13.832 814 1HB LYS 99 HB2 LYS 99 -5.316 7.709 15.061 815 2HB LYS 99 HB1 LYS 99 -6.525 6.774 15.931 816 1HG LYS 99 HG2 LYS 99 -4.747 4.870 15.774 817 2HG LYS 99 HG1 LYS 99 -3.629 6.210 15.515 818 1HD LYS 99 HD2 LYS 99 -5.563 6.340 17.784 819 2HD LYS 99 HD1 LYS 99 -4.122 5.332 17.936 820 1HE LYS 99 HE2 LYS 99 -2.680 7.153 17.749 821 2HE LYS 99 HE1 LYS 99 -3.919 8.179 17.024 822 1HZ LYS 99 HZ1 LYS 99 -5.083 8.150 19.182 823 2HZ LYS 99 HZ2 LYS 99 -3.549 8.858 19.275 824 3HZ LYS 99 HZ3 LYS 99 -3.791 7.286 19.853 825 H GLU 100 HN GLU 100 -7.879 7.751 13.115 826 HA GLU 100 HA GLU 100 -10.177 6.606 14.355 827 1HB GLU 100 HB2 GLU 100 -9.987 9.011 13.909 828 2HB GLU 100 HB1 GLU 100 -9.986 8.695 12.177 829 1HG GLU 100 HG2 GLU 100 -12.244 7.812 12.317 830 2HG GLU 100 HG1 GLU 100 -12.247 8.064 14.062 831 H GLU 101 HN GLU 101 -8.660 6.345 11.227 832 HA GLU 101 HA GLU 101 -10.823 5.151 9.855 833 1HB GLU 101 HB2 GLU 101 -7.865 5.285 9.414 834 2HB GLU 101 HB1 GLU 101 -8.831 4.180 8.443 835 1HG GLU 101 HG2 GLU 101 -10.296 6.260 7.978 836 2HG GLU 101 HG1 GLU 101 -8.884 7.165 8.527 837 H ALA 102 HN ALA 102 -8.992 4.086 12.410 838 HA ALA 102 HA ALA 102 -9.983 1.367 12.110 839 1HB ALA 102 HB1 ALA 102 -7.849 0.329 12.546 840 2HB ALA 102 HB2 ALA 102 -7.069 1.906 12.679 841 3HB ALA 102 HB3 ALA 102 -7.708 1.366 11.126 842 H SER 103 HN SER 103 -7.707 1.082 14.391 843 HA SER 103 HA SER 103 -9.602 1.603 16.534 844 1HB SER 103 HB2 SER 103 -8.093 0.317 17.938 845 2HB SER 103 HB1 SER 103 -8.361 -0.553 16.429 846 HG SER 103 HG SER 103 -6.067 0.736 17.364 847 H GLY 104 HN GLY 104 -9.035 2.784 18.445 848 1HA GLY 104 HA2 GLY 104 -7.546 4.244 19.645 849 2HA GLY 104 HA1 GLY 104 -6.801 4.676 18.111 850 H SER 105 HN SER 105 -7.069 6.860 18.216 851 HA SER 105 HA SER 105 -9.843 7.835 18.273 852 1HB SER 105 HB2 SER 105 -7.331 9.068 19.402 853 2HB SER 105 HB1 SER 105 -8.782 10.023 19.089 854 HG SER 105 HG SER 105 -9.778 9.073 20.713 855 H SER 106 HN SER 106 -7.687 10.323 17.662 856 HA SER 106 HA SER 106 -7.952 9.960 14.754 857 1HB SER 106 HB2 SER 106 -9.507 11.703 15.842 858 2HB SER 106 HB1 SER 106 -8.048 12.660 16.092 859 HG SER 106 HG SER 106 -9.395 12.867 14.031 860 H VAL 107 HN VAL 107 -5.835 9.155 14.632 861 HA VAL 107 HA VAL 107 -3.549 10.075 15.736 862 HB VAL 107 HB VAL 107 -4.071 8.243 13.850 863 1HG1 VAL 107 HG11 VAL 107 -2.936 8.729 11.784 864 2HG1 VAL 107 HG12 VAL 107 -2.507 10.342 12.356 865 3HG1 VAL 107 HG13 VAL 107 -4.196 9.934 12.049 866 1HG2 VAL 107 HG21 VAL 107 -1.846 7.627 14.034 867 2HG2 VAL 107 HG22 VAL 107 -2.127 8.587 15.487 868 3HG2 VAL 107 HG23 VAL 107 -1.287 9.298 14.108 869 H THR 108 HN THR 108 -1.896 11.516 15.184 870 HA THR 108 HA THR 108 -2.594 14.115 14.694 871 HB THR 108 HB THR 108 -0.439 13.634 15.617 872 HG1 THR 108 HG1 THR 108 -0.215 15.538 14.611 873 1HG2 THR 108 HG21 THR 108 0.409 12.502 12.954 874 2HG2 THR 108 HG22 THR 108 -0.118 11.503 14.309 875 3HG2 THR 108 HG23 THR 108 1.321 12.513 14.463 876 H ALA 109 HN ALA 109 -2.395 15.538 12.938 877 HA ALA 109 HA ALA 109 -3.304 14.484 10.461 878 1HB ALA 109 HB1 ALA 109 -3.718 16.642 9.866 879 2HB ALA 109 HB2 ALA 109 -2.227 17.245 10.589 880 3HB ALA 109 HB3 ALA 109 -3.608 16.855 11.613 881 H GLU 110 HN GLU 110 -0.184 15.361 11.714 882 HA GLU 110 HA GLU 110 1.338 15.830 9.532 883 1HB GLU 110 HB2 GLU 110 1.908 14.267 12.017 884 2HB GLU 110 HB1 GLU 110 3.125 14.339 10.749 885 1HG GLU 110 HG2 GLU 110 3.274 16.708 10.921 886 2HG GLU 110 HG1 GLU 110 1.878 16.774 11.995 887 H GLU 111 HN GLU 111 -0.299 12.870 10.168 888 HA GLU 111 HA GLU 111 1.290 11.408 8.224 889 1HB GLU 111 HB2 GLU 111 0.682 9.959 9.919 890 2HB GLU 111 HB1 GLU 111 -0.917 10.669 10.109 891 1HG GLU 111 HG2 GLU 111 -1.837 9.306 8.623 892 2HG GLU 111 HG1 GLU 111 -0.478 9.426 7.508 893 H ALA 112 HN ALA 112 -2.173 12.132 8.586 894 HA ALA 112 HA ALA 112 -2.695 11.525 5.837 895 1HB ALA 112 HB1 ALA 112 -5.002 12.125 6.331 896 2HB ALA 112 HB2 ALA 112 -4.501 12.764 7.896 897 3HB ALA 112 HB3 ALA 112 -4.338 11.041 7.555 898 H LYS 113 HN LYS 113 -2.210 14.518 7.616 899 HA LYS 113 HA LYS 113 -3.151 16.126 5.395 900 1HB LYS 113 HB2 LYS 113 -3.252 16.546 8.045 901 2HB LYS 113 HB1 LYS 113 -1.768 17.413 7.672 902 1HG LYS 113 HG2 LYS 113 -2.940 18.790 6.062 903 2HG LYS 113 HG1 LYS 113 -4.428 17.882 6.341 904 1HD LYS 113 HD2 LYS 113 -4.202 18.575 8.782 905 2HD LYS 113 HD1 LYS 113 -2.980 19.722 8.227 906 1HE LYS 113 HE2 LYS 113 -5.591 19.686 6.814 907 2HE LYS 113 HE1 LYS 113 -5.546 20.375 8.437 908 1HZ LYS 113 HZ1 LYS 113 -3.725 21.203 6.246 909 2HZ LYS 113 HZ2 LYS 113 -3.917 21.947 7.752 910 3HZ LYS 113 HZ3 LYS 113 -5.171 22.000 6.617 911 H LYS 114 HN LYS 114 -0.048 15.448 6.995 912 HA LYS 114 HA LYS 114 1.416 17.320 5.432 913 1HB LYS 114 HB2 LYS 114 1.924 15.834 7.686 914 2HB LYS 114 HB1 LYS 114 2.949 15.067 6.483 915 1HG LYS 114 HG2 LYS 114 3.067 17.984 6.454 916 2HG LYS 114 HG1 LYS 114 3.616 17.252 7.964 917 1HD LYS 114 HD2 LYS 114 4.906 15.655 6.288 918 2HD LYS 114 HD1 LYS 114 4.755 17.053 5.223 919 1HE LYS 114 HE2 LYS 114 6.864 16.945 6.602 920 2HE LYS 114 HE1 LYS 114 5.944 18.443 6.724 921 1HZ LYS 114 HZ1 LYS 114 6.817 17.012 8.821 922 2HZ LYS 114 HZ2 LYS 114 5.232 16.439 8.677 923 3HZ LYS 114 HZ3 LYS 114 5.516 18.093 8.878 924 H PHE 115 HN PHE 115 0.617 13.922 5.026 925 HA PHE 115 HA PHE 115 2.465 13.554 2.850 926 1HB PHE 115 HB2 PHE 115 0.350 11.872 4.139 927 2HB PHE 115 HB1 PHE 115 0.995 11.404 2.568 928 HD1 PHE 115 HD1 PHE 115 2.839 10.040 2.498 929 HD2 PHE 115 HD2 PHE 115 2.169 12.420 5.960 930 HE1 PHE 115 HE1 PHE 115 4.761 8.971 3.597 931 HE2 PHE 115 HE2 PHE 115 4.092 11.355 7.067 932 HZ PHE 115 HZ PHE 115 5.390 9.628 5.885 933 H LEU 116 HN LEU 116 -1.066 13.887 3.140 934 HA LEU 116 HA LEU 116 -1.346 13.979 0.251 935 1HB LEU 116 HB2 LEU 116 -3.244 13.945 2.561 936 2HB LEU 116 HB1 LEU 116 -3.808 14.487 0.993 937 HG LEU 116 HG LEU 116 -2.411 12.006 0.673 938 1HD1 LEU 116 HD11 LEU 116 -3.605 10.525 2.043 939 2HD1 LEU 116 HD12 LEU 116 -4.755 11.770 2.534 940 3HD1 LEU 116 HD13 LEU 116 -3.092 11.824 3.122 941 1HD2 LEU 116 HD21 LEU 116 -4.424 11.344 -0.413 942 2HD2 LEU 116 HD22 LEU 116 -4.165 13.048 -0.784 943 3HD2 LEU 116 HD23 LEU 116 -5.357 12.582 0.428 944 H ALA 117 HN ALA 117 0.235 15.979 0.681 945 HA ALA 117 HA ALA 117 -1.298 18.420 1.146 946 1HB ALA 117 HB1 ALA 117 1.654 17.956 0.745 947 2HB ALA 117 HB2 ALA 117 0.827 18.316 2.259 948 3HB ALA 117 HB3 ALA 117 0.919 19.540 0.993 949 HA PRO 118 HA PRO 118 -1.800 19.358 -3.142 950 1HB PRO 118 HB2 PRO 118 -1.732 22.071 -3.110 951 2HB PRO 118 HB1 PRO 118 -3.104 21.138 -2.499 952 1HG PRO 118 HG2 PRO 118 -0.850 22.403 -0.988 953 2HG PRO 118 HG1 PRO 118 -2.581 22.387 -0.607 954 1HD PRO 118 HD2 PRO 118 -0.818 20.727 0.595 955 2HD PRO 118 HD1 PRO 118 -2.499 20.256 0.272 956 H LYS 119 HN LYS 119 -0.815 20.798 -4.918 957 HA LYS 119 HA LYS 119 2.002 21.407 -4.520 958 1HB LYS 119 HB2 LYS 119 1.074 18.988 -5.810 959 2HB LYS 119 HB1 LYS 119 1.998 19.980 -6.930 960 1HG LYS 119 HG2 LYS 119 3.736 20.111 -5.032 961 2HG LYS 119 HG1 LYS 119 2.874 18.724 -4.362 962 1HD LYS 119 HD2 LYS 119 3.147 17.693 -6.705 963 2HD LYS 119 HD1 LYS 119 4.369 18.942 -6.954 964 1HE LYS 119 HE2 LYS 119 5.654 18.134 -5.095 965 2HE LYS 119 HE1 LYS 119 4.381 16.999 -4.650 966 1HZ LYS 119 HZ1 LYS 119 6.103 15.834 -5.806 967 2HZ LYS 119 HZ2 LYS 119 6.053 16.919 -7.102 968 3HZ LYS 119 HZ3 LYS 119 4.742 15.890 -6.810 969 H ASP 120 HN ASP 120 2.814 22.893 -5.967 970 HA ASP 120 HA ASP 120 2.741 24.675 -7.379 971 1HB ASP 120 HB2 ASP 120 1.391 22.477 -8.835 972 2HB ASP 120 HB1 ASP 120 1.140 24.098 -9.477 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -0.028 -21.338 -12.764 2 2H GLY 1 HT2 GLY 1 0.380 -20.329 -11.468 3 3H GLY 1 HT3 GLY 1 -0.792 -19.840 -12.585 4 1HA GLY 1 HA1 GLY 1 -2.068 -21.923 -11.876 5 2HA GLY 1 HA2 GLY 1 -0.989 -21.909 -10.489 6 HA PRO 2 HA PRO 2 -3.376 -18.986 -8.231 7 1HB PRO 2 HB2 PRO 2 -1.185 -16.978 -8.372 8 2HB PRO 2 HB1 PRO 2 -2.014 -17.643 -6.960 9 1HG PRO 2 HG2 PRO 2 0.459 -18.418 -7.569 10 2HG PRO 2 HG1 PRO 2 -0.734 -19.577 -6.952 11 1HD PRO 2 HD2 PRO 2 0.250 -19.172 -9.744 12 2HD PRO 2 HD1 PRO 2 -0.166 -20.678 -8.900 13 H VAL 3 HN VAL 3 -4.435 -16.877 -8.297 14 HA VAL 3 HA VAL 3 -4.238 -15.480 -10.868 15 HB VAL 3 HB VAL 3 -6.903 -16.223 -9.665 16 1HG1 VAL 3 HG11 VAL 3 -7.117 -14.301 -11.011 17 2HG1 VAL 3 HG12 VAL 3 -7.645 -15.645 -12.022 18 3HG1 VAL 3 HG13 VAL 3 -6.041 -14.950 -12.248 19 1HG2 VAL 3 HG21 VAL 3 -6.993 -17.756 -11.741 20 2HG2 VAL 3 HG22 VAL 3 -6.110 -18.309 -10.319 21 3HG2 VAL 3 HG23 VAL 3 -5.233 -17.652 -11.701 22 H ASN 4 HN ASN 4 -3.793 -13.438 -10.389 23 HA ASN 4 HA ASN 4 -3.847 -11.374 -9.438 24 1HB ASN 4 HB2 ASN 4 -6.414 -11.951 -9.748 25 2HB ASN 4 HB1 ASN 4 -6.387 -11.971 -7.984 26 1HD2 ASN 4 HD21 ASN 4 -5.254 -10.028 -7.006 27 2HD2 ASN 4 HD22 ASN 4 -5.633 -8.492 -7.703 28 HA PRO 5 HA PRO 5 -1.717 -12.732 -5.657 29 1HB PRO 5 HB2 PRO 5 -1.213 -9.789 -5.666 30 2HB PRO 5 HB1 PRO 5 -0.088 -11.121 -5.377 31 1HG PRO 5 HG2 PRO 5 -0.095 -9.844 -7.709 32 2HG PRO 5 HG1 PRO 5 0.131 -11.602 -7.637 33 1HD PRO 5 HD2 PRO 5 -2.263 -10.027 -8.456 34 2HD PRO 5 HD1 PRO 5 -1.677 -11.591 -9.058 35 H ALA 6 HN ALA 6 -3.895 -9.968 -5.988 36 HA ALA 6 HA ALA 6 -4.320 -9.587 -3.204 37 1HB ALA 6 HB1 ALA 6 -6.585 -8.673 -4.620 38 2HB ALA 6 HB2 ALA 6 -5.178 -8.369 -5.638 39 3HB ALA 6 HB3 ALA 6 -5.233 -7.727 -3.997 40 H GLU 7 HN GLU 7 -5.984 -11.451 -5.697 41 HA GLU 7 HA GLU 7 -8.173 -12.223 -4.044 42 1HB GLU 7 HB2 GLU 7 -7.817 -12.262 -6.684 43 2HB GLU 7 HB1 GLU 7 -7.340 -13.919 -6.345 44 1HG GLU 7 HG2 GLU 7 -9.533 -14.157 -5.110 45 2HG GLU 7 HG1 GLU 7 -9.988 -12.609 -5.820 46 H ASN 8 HN ASN 8 -5.169 -13.829 -5.042 47 HA ASN 8 HA ASN 8 -5.641 -16.275 -3.734 48 1HB ASN 8 HB2 ASN 8 -3.887 -15.845 -5.484 49 2HB ASN 8 HB1 ASN 8 -2.944 -15.011 -4.254 50 1HD2 ASN 8 HD21 ASN 8 -4.855 -17.997 -4.194 51 2HD2 ASN 8 HD22 ASN 8 -3.566 -19.012 -3.655 52 H PHE 9 HN PHE 9 -4.302 -13.229 -2.635 53 HA PHE 9 HA PHE 9 -3.289 -14.191 -0.160 54 1HB PHE 9 HB2 PHE 9 -2.302 -12.186 -0.539 55 2HB PHE 9 HB1 PHE 9 -3.665 -11.581 -1.473 56 HD1 PHE 9 HD1 PHE 9 -5.204 -10.094 -0.530 57 HD2 PHE 9 HD2 PHE 9 -2.456 -12.157 1.978 58 HE1 PHE 9 HE1 PHE 9 -5.871 -8.671 1.363 59 HE2 PHE 9 HE2 PHE 9 -3.118 -10.740 3.877 60 HZ PHE 9 HZ PHE 9 -4.828 -8.994 3.570 61 H ARG 10 HN ARG 10 -6.288 -12.511 -1.063 62 HA ARG 10 HA ARG 10 -7.397 -12.376 1.507 63 1HB ARG 10 HB2 ARG 10 -8.450 -12.184 -1.269 64 2HB ARG 10 HB1 ARG 10 -9.614 -12.443 0.023 65 1HG ARG 10 HG2 ARG 10 -8.936 -10.429 1.126 66 2HG ARG 10 HG1 ARG 10 -7.600 -10.207 -0.006 67 1HD ARG 10 HD2 ARG 10 -9.207 -8.761 -0.835 68 2HD ARG 10 HD1 ARG 10 -9.451 -10.207 -1.815 69 HE ARG 10 HE ARG 10 -11.173 -9.321 0.401 70 1HH1 ARG 10 HH11 ARG 10 -10.608 -11.301 -2.411 71 2HH1 ARG 10 HH12 ARG 10 -12.250 -11.837 -2.522 72 1HH2 ARG 10 HH21 ARG 10 -13.338 -10.023 0.261 73 2HH2 ARG 10 HH22 ARG 10 -13.802 -11.110 -1.004 74 H VAL 11 HN VAL 11 -7.496 -14.905 -0.944 75 HA VAL 11 HA VAL 11 -9.433 -16.512 0.396 76 HB VAL 11 HB VAL 11 -7.408 -17.265 -1.717 77 1HG1 VAL 11 HG11 VAL 11 -7.994 -19.288 -0.675 78 2HG1 VAL 11 HG12 VAL 11 -9.044 -19.184 -2.088 79 3HG1 VAL 11 HG13 VAL 11 -9.679 -18.803 -0.488 80 1HG2 VAL 11 HG21 VAL 11 -8.939 -16.716 -3.309 81 2HG2 VAL 11 HG22 VAL 11 -9.412 -15.556 -2.068 82 3HG2 VAL 11 HG23 VAL 11 -10.317 -17.057 -2.262 83 H LEU 12 HN LEU 12 -5.888 -16.592 0.210 84 HA LEU 12 HA LEU 12 -5.479 -18.920 1.695 85 1HB LEU 12 HB2 LEU 12 -3.865 -16.597 0.886 86 2HB LEU 12 HB1 LEU 12 -3.292 -17.430 2.321 87 HG LEU 12 HG LEU 12 -3.947 -19.171 0.029 88 1HD1 LEU 12 HD11 LEU 12 -1.860 -17.043 -0.100 89 2HD1 LEU 12 HD12 LEU 12 -2.935 -17.643 -1.362 90 3HD1 LEU 12 HD13 LEU 12 -1.558 -18.614 -0.843 91 1HD2 LEU 12 HD21 LEU 12 -1.992 -20.345 0.774 92 2HD2 LEU 12 HD22 LEU 12 -2.977 -19.942 2.181 93 3HD2 LEU 12 HD23 LEU 12 -1.530 -19.001 1.820 94 H VAL 13 HN VAL 13 -6.268 -15.692 2.720 95 HA VAL 13 HA VAL 13 -5.681 -16.353 5.512 96 HB VAL 13 HB VAL 13 -6.179 -14.000 6.016 97 1HG1 VAL 13 HG11 VAL 13 -4.210 -13.056 5.021 98 2HG1 VAL 13 HG12 VAL 13 -4.240 -14.248 3.722 99 3HG1 VAL 13 HG13 VAL 13 -3.899 -14.756 5.377 100 1HG2 VAL 13 HG21 VAL 13 -6.363 -12.440 4.021 101 2HG2 VAL 13 HG22 VAL 13 -7.799 -13.383 4.424 102 3HG2 VAL 13 HG23 VAL 13 -6.776 -13.870 3.073 103 H LYS 14 HN LYS 14 -8.227 -16.649 3.407 104 HA LYS 14 HA LYS 14 -10.265 -16.165 5.457 105 1HB LYS 14 HB2 LYS 14 -10.382 -15.336 2.979 106 2HB LYS 14 HB1 LYS 14 -10.896 -16.985 2.645 107 1HG LYS 14 HG2 LYS 14 -12.296 -15.656 4.860 108 2HG LYS 14 HG1 LYS 14 -12.566 -14.960 3.262 109 1HD LYS 14 HD2 LYS 14 -12.709 -17.909 3.473 110 2HD LYS 14 HD1 LYS 14 -14.013 -16.995 4.234 111 1HE LYS 14 HE2 LYS 14 -14.962 -16.686 2.253 112 2HE LYS 14 HE1 LYS 14 -13.514 -15.859 1.680 113 1HZ LYS 14 HZ1 LYS 14 -13.752 -18.810 1.688 114 2HZ LYS 14 HZ2 LYS 14 -12.632 -17.854 0.854 115 3HZ LYS 14 HZ3 LYS 14 -14.254 -17.866 0.375 116 H GLN 15 HN GLN 15 -9.393 -18.677 3.078 117 HA GLN 15 HA GLN 15 -11.116 -20.648 4.107 118 1HB GLN 15 HB2 GLN 15 -9.961 -22.197 2.702 119 2HB GLN 15 HB1 GLN 15 -10.051 -20.666 1.839 120 1HG GLN 15 HG2 GLN 15 -7.752 -20.182 2.372 121 2HG GLN 15 HG1 GLN 15 -7.645 -21.631 3.369 122 1HE2 GLN 15 HE21 GLN 15 -9.007 -21.039 0.151 123 2HE2 GLN 15 HE22 GLN 15 -8.061 -22.236 -0.660 124 H LYS 16 HN LYS 16 -8.303 -19.344 5.417 125 HA LYS 16 HA LYS 16 -8.336 -20.981 7.683 126 1HB LYS 16 HB2 LYS 16 -6.382 -22.317 7.456 127 2HB LYS 16 HB1 LYS 16 -7.335 -22.602 6.008 128 1HG LYS 16 HG2 LYS 16 -5.899 -21.231 4.697 129 2HG LYS 16 HG1 LYS 16 -5.049 -20.651 6.131 130 1HD LYS 16 HD2 LYS 16 -3.620 -22.347 5.983 131 2HD LYS 16 HD1 LYS 16 -4.953 -23.496 6.118 132 1HE LYS 16 HE2 LYS 16 -5.309 -23.011 3.603 133 2HE LYS 16 HE1 LYS 16 -3.667 -22.371 3.658 134 1HZ LYS 16 HZ1 LYS 16 -3.247 -24.673 4.841 135 2HZ LYS 16 HZ2 LYS 16 -3.221 -24.523 3.156 136 3HZ LYS 16 HZ3 LYS 16 -4.598 -25.126 3.929 137 H LYS 17 HN LYS 17 -7.374 -19.862 9.289 138 HA LYS 17 HA LYS 17 -6.131 -17.378 8.560 139 1HB LYS 17 HB2 LYS 17 -7.762 -17.853 10.548 140 2HB LYS 17 HB1 LYS 17 -6.308 -18.375 11.387 141 1HG LYS 17 HG2 LYS 17 -5.303 -16.166 10.971 142 2HG LYS 17 HG1 LYS 17 -6.809 -15.651 10.207 143 1HD LYS 17 HD2 LYS 17 -8.007 -16.061 12.305 144 2HD LYS 17 HD1 LYS 17 -6.497 -16.568 13.066 145 1HE LYS 17 HE2 LYS 17 -5.558 -14.354 12.732 146 2HE LYS 17 HE1 LYS 17 -7.018 -13.841 11.887 147 1HZ LYS 17 HZ1 LYS 17 -8.231 -14.388 14.006 148 2HZ LYS 17 HZ2 LYS 17 -7.207 -13.045 14.076 149 3HZ LYS 17 HZ3 LYS 17 -6.720 -14.514 14.755 150 H ALA 18 HN ALA 18 -4.198 -17.994 7.603 151 HA ALA 18 HA ALA 18 -2.283 -19.552 9.148 152 1HB ALA 18 HB1 ALA 18 -2.302 -18.497 6.334 153 2HB ALA 18 HB2 ALA 18 -2.314 -20.173 6.883 154 3HB ALA 18 HB3 ALA 18 -0.856 -19.197 7.064 155 H SER 19 HN SER 19 -3.115 -16.906 10.059 156 HA SER 19 HA SER 19 -2.204 -15.080 11.047 157 1HB SER 19 HB2 SER 19 0.546 -16.096 10.359 158 2HB SER 19 HB1 SER 19 0.037 -15.150 11.760 159 HG SER 19 HG SER 19 -0.055 -17.873 11.330 160 H PHE 20 HN PHE 20 -1.712 -13.018 10.462 161 HA PHE 20 HA PHE 20 -1.433 -12.491 7.644 162 1HB PHE 20 HB2 PHE 20 -2.773 -11.187 9.528 163 2HB PHE 20 HB1 PHE 20 -1.250 -10.322 9.694 164 HD1 PHE 20 HD1 PHE 20 -4.183 -10.873 7.634 165 HD2 PHE 20 HD2 PHE 20 -0.369 -8.997 7.825 166 HE1 PHE 20 HE1 PHE 20 -4.797 -9.441 5.730 167 HE2 PHE 20 HE2 PHE 20 -0.975 -7.561 5.921 168 HZ PHE 20 HZ PHE 20 -3.191 -7.781 4.872 169 H GLU 21 HN GLU 21 0.751 -13.719 7.855 170 HA GLU 21 HA GLU 21 2.864 -11.703 8.204 171 1HB GLU 21 HB2 GLU 21 2.537 -13.999 9.773 172 2HB GLU 21 HB1 GLU 21 3.840 -14.388 8.659 173 1HG GLU 21 HG2 GLU 21 5.003 -12.328 9.350 174 2HG GLU 21 HG1 GLU 21 3.721 -12.028 10.523 175 H GLU 22 HN GLU 22 2.499 -15.037 6.968 176 HA GLU 22 HA GLU 22 4.434 -14.724 4.941 177 1HB GLU 22 HB2 GLU 22 2.494 -16.765 5.758 178 2HB GLU 22 HB1 GLU 22 2.812 -16.746 4.027 179 1HG GLU 22 HG2 GLU 22 5.162 -17.054 4.400 180 2HG GLU 22 HG1 GLU 22 4.945 -16.903 6.143 181 H ALA 23 HN ALA 23 0.896 -14.522 4.891 182 HA ALA 23 HA ALA 23 0.590 -14.130 2.131 183 1HB ALA 23 HB1 ALA 23 -1.287 -12.802 4.015 184 2HB ALA 23 HB2 ALA 23 -1.146 -14.559 4.071 185 3HB ALA 23 HB3 ALA 23 -1.620 -13.760 2.572 186 H SER 24 HN SER 24 1.127 -11.831 4.769 187 HA SER 24 HA SER 24 0.798 -9.502 3.170 188 1HB SER 24 HB2 SER 24 1.674 -8.285 5.067 189 2HB SER 24 HB1 SER 24 0.603 -9.551 5.666 190 HG SER 24 HG SER 24 2.471 -9.588 6.880 191 H ASN 25 HN ASN 25 3.707 -11.078 4.493 192 HA ASN 25 HA ASN 25 5.639 -9.494 3.336 193 1HB ASN 25 HB2 ASN 25 5.524 -12.267 4.343 194 2HB ASN 25 HB1 ASN 25 6.842 -11.930 3.226 195 1HD2 ASN 25 HD21 ASN 25 5.401 -11.097 6.293 196 2HD2 ASN 25 HD22 ASN 25 6.796 -10.329 6.963 197 H GLN 26 HN GLN 26 4.158 -12.424 1.959 198 HA GLN 26 HA GLN 26 5.571 -12.447 -0.451 199 1HB GLN 26 HB2 GLN 26 3.792 -14.114 0.650 200 2HB GLN 26 HB1 GLN 26 2.720 -13.296 -0.479 201 1HG GLN 26 HG2 GLN 26 3.458 -15.145 -1.663 202 2HG GLN 26 HG1 GLN 26 4.487 -13.837 -2.252 203 1HE2 GLN 26 HE21 GLN 26 4.356 -16.852 -0.648 204 2HE2 GLN 26 HE22 GLN 26 6.053 -17.047 -0.385 205 H LEU 27 HN LEU 27 2.470 -10.931 0.368 206 HA LEU 27 HA LEU 27 1.829 -9.903 -2.131 207 1HB LEU 27 HB2 LEU 27 0.833 -9.687 0.480 208 2HB LEU 27 HB1 LEU 27 1.144 -8.036 -0.033 209 HG LEU 27 HG LEU 27 -0.544 -10.011 -1.570 210 1HD1 LEU 27 HD11 LEU 27 -1.381 -9.193 0.725 211 2HD1 LEU 27 HD12 LEU 27 -2.454 -9.050 -0.668 212 3HD1 LEU 27 HD13 LEU 27 -1.583 -7.635 -0.077 213 1HD2 LEU 27 HD21 LEU 27 -0.139 -7.043 -1.911 214 2HD2 LEU 27 HD22 LEU 27 -1.243 -8.050 -2.844 215 3HD2 LEU 27 HD23 LEU 27 0.498 -8.302 -2.969 216 H ILE 28 HN ILE 28 3.676 -8.337 0.503 217 HA ILE 28 HA ILE 28 4.198 -5.939 -0.811 218 HB ILE 28 HB ILE 28 5.645 -7.420 1.363 219 1HG1 ILE 28 HG12 ILE 28 4.879 -4.767 2.041 220 2HG1 ILE 28 HG11 ILE 28 3.522 -5.510 1.196 221 1HG2 ILE 28 HG21 ILE 28 7.493 -6.381 0.437 222 2HG2 ILE 28 HG22 ILE 28 6.932 -5.179 1.600 223 3HG2 ILE 28 HG23 ILE 28 6.563 -4.987 -0.114 224 1HD1 ILE 28 HD11 ILE 28 4.088 -5.755 3.861 225 2HD1 ILE 28 HD12 ILE 28 4.716 -7.259 3.186 226 3HD1 ILE 28 HD13 ILE 28 3.030 -6.812 2.927 227 H ASN 29 HN ASN 29 6.009 -8.998 -0.837 228 HA ASN 29 HA ASN 29 8.229 -8.097 -2.291 229 1HB ASN 29 HB2 ASN 29 7.700 -10.399 -1.082 230 2HB ASN 29 HB1 ASN 29 7.204 -10.873 -2.703 231 1HD2 ASN 29 HD21 ASN 29 9.871 -9.709 -0.757 232 2HD2 ASN 29 HD22 ASN 29 11.126 -10.247 -1.815 233 H HIS 30 HN HIS 30 5.162 -9.526 -3.350 234 HA HIS 30 HA HIS 30 5.679 -9.629 -6.088 235 1HB HIS 30 HB2 HIS 30 3.260 -9.591 -4.383 236 2HB HIS 30 HB1 HIS 30 3.019 -9.084 -6.053 237 HD1 HIS 30 HD1 HIS 30 4.789 -11.988 -4.324 238 HD2 HIS 30 HD2 HIS 30 2.375 -11.186 -7.609 239 HE1 HIS 30 HE1 HIS 30 4.400 -14.212 -5.432 240 HE2 HIS 30 HE2 HIS 30 3.006 -13.690 -7.464 241 H ILE 31 HN ILE 31 4.243 -7.046 -4.129 242 HA ILE 31 HA ILE 31 3.781 -5.189 -6.152 243 HB ILE 31 HB ILE 31 4.602 -4.651 -3.292 244 1HG1 ILE 31 HG12 ILE 31 1.843 -4.628 -4.531 245 2HG1 ILE 31 HG11 ILE 31 2.511 -6.009 -3.666 246 1HG2 ILE 31 HG21 ILE 31 4.985 -2.669 -4.572 247 2HG2 ILE 31 HG22 ILE 31 3.490 -2.447 -3.663 248 3HG2 ILE 31 HG23 ILE 31 3.428 -2.827 -5.384 249 1HD1 ILE 31 HD11 ILE 31 1.359 -5.044 -1.974 250 2HD1 ILE 31 HD12 ILE 31 1.523 -3.418 -2.638 251 3HD1 ILE 31 HD13 ILE 31 2.878 -4.166 -1.794 252 H GLU 32 HN GLU 32 6.661 -5.591 -4.101 253 HA GLU 32 HA GLU 32 8.236 -3.577 -5.152 254 1HB GLU 32 HB2 GLU 32 8.840 -6.212 -3.874 255 2HB GLU 32 HB1 GLU 32 10.158 -5.289 -4.581 256 1HG GLU 32 HG2 GLU 32 9.633 -3.400 -3.150 257 2HG GLU 32 HG1 GLU 32 8.268 -4.285 -2.464 258 H GLN 33 HN GLN 33 7.888 -6.924 -6.275 259 HA GLN 33 HA GLN 33 9.771 -6.830 -8.343 260 1HB GLN 33 HB2 GLN 33 7.405 -8.518 -7.707 261 2HB GLN 33 HB1 GLN 33 8.019 -8.585 -9.353 262 1HG GLN 33 HG2 GLN 33 10.193 -9.258 -8.562 263 2HG GLN 33 HG1 GLN 33 9.671 -9.076 -6.887 264 1HE2 GLN 33 HE21 GLN 33 9.943 -11.164 -9.513 265 2HE2 GLN 33 HE22 GLN 33 9.037 -12.491 -8.876 266 H PHE 34 HN PHE 34 6.290 -6.160 -8.364 267 HA PHE 34 HA PHE 34 5.960 -5.574 -11.044 268 1HB PHE 34 HB2 PHE 34 4.585 -4.634 -8.555 269 2HB PHE 34 HB1 PHE 34 4.167 -3.900 -10.100 270 HD1 PHE 34 HD1 PHE 34 3.908 -5.837 -12.028 271 HD2 PHE 34 HD2 PHE 34 3.157 -6.268 -7.862 272 HE1 PHE 34 HE1 PHE 34 2.380 -7.708 -12.501 273 HE2 PHE 34 HE2 PHE 34 1.629 -8.141 -8.326 274 HZ PHE 34 HZ PHE 34 1.240 -8.863 -10.649 275 H LEU 35 HN LEU 35 7.363 -3.609 -8.499 276 HA LEU 35 HA LEU 35 7.364 -1.166 -9.971 277 1HB LEU 35 HB2 LEU 35 8.774 -2.132 -7.504 278 2HB LEU 35 HB1 LEU 35 9.175 -0.579 -8.218 279 HG LEU 35 HG LEU 35 6.306 -1.120 -7.655 280 1HD1 LEU 35 HD11 LEU 35 7.153 -1.917 -5.610 281 2HD1 LEU 35 HD12 LEU 35 6.707 -0.236 -5.314 282 3HD1 LEU 35 HD13 LEU 35 8.400 -0.671 -5.549 283 1HD2 LEU 35 HD21 LEU 35 8.076 1.301 -7.341 284 2HD2 LEU 35 HD22 LEU 35 6.326 1.260 -7.130 285 3HD2 LEU 35 HD23 LEU 35 7.029 0.958 -8.719 286 H ASP 36 HN ASP 36 9.288 -3.973 -10.078 287 HA ASP 36 HA ASP 36 11.755 -2.846 -10.909 288 1HB ASP 36 HB2 ASP 36 11.348 -5.220 -10.066 289 2HB ASP 36 HB1 ASP 36 10.751 -5.584 -11.684 290 H THR 37 HN THR 37 8.779 -2.940 -12.409 291 HA THR 37 HA THR 37 10.009 -2.532 -15.050 292 HB THR 37 HB THR 37 7.243 -3.305 -15.278 293 HG1 THR 37 HG1 THR 37 7.959 -5.623 -14.651 294 1HG2 THR 37 HG21 THR 37 8.039 -4.680 -16.981 295 2HG2 THR 37 HG22 THR 37 9.593 -4.932 -16.184 296 3HG2 THR 37 HG23 THR 37 9.230 -3.380 -16.938 297 H ASN 38 HN ASN 38 9.901 -0.440 -15.466 298 HA ASN 38 HA ASN 38 7.894 1.264 -14.309 299 1HB ASN 38 HB2 ASN 38 10.345 1.866 -14.815 300 2HB ASN 38 HB1 ASN 38 9.813 2.074 -16.484 301 1HD2 ASN 38 HD21 ASN 38 9.619 3.287 -13.236 302 2HD2 ASN 38 HD22 ASN 38 8.900 4.808 -13.631 303 H GLU 39 HN GLU 39 6.219 -0.211 -15.438 304 HA GLU 39 HA GLU 39 5.617 0.883 -18.104 305 1HB GLU 39 HB2 GLU 39 5.224 -1.808 -16.893 306 2HB GLU 39 HB1 GLU 39 4.017 -1.246 -18.041 307 1HG GLU 39 HG2 GLU 39 6.947 -1.231 -18.676 308 2HG GLU 39 HG1 GLU 39 5.932 -2.647 -18.943 309 H THR 40 HN THR 40 3.519 1.575 -18.558 310 HA THR 40 HA THR 40 2.160 2.872 -16.484 311 HB THR 40 HB THR 40 0.875 2.133 -19.107 312 HG1 THR 40 HG1 THR 40 2.302 3.347 -20.078 313 1HG2 THR 40 HG21 THR 40 -0.598 3.222 -17.532 314 2HG2 THR 40 HG22 THR 40 -0.184 4.360 -18.814 315 3HG2 THR 40 HG23 THR 40 0.596 4.486 -17.237 316 HA PRO 41 HA PRO 41 -1.141 -0.637 -16.666 317 1HB PRO 41 HB2 PRO 41 -0.503 -2.973 -17.859 318 2HB PRO 41 HB1 PRO 41 -1.192 -1.611 -18.755 319 1HG PRO 41 HG2 PRO 41 1.663 -2.488 -18.541 320 2HG PRO 41 HG1 PRO 41 0.759 -1.962 -19.972 321 1HD PRO 41 HD2 PRO 41 2.455 -0.331 -18.611 322 2HD PRO 41 HD1 PRO 41 1.026 0.268 -19.477 323 H TYR 42 HN TYR 42 2.164 -1.009 -15.978 324 HA TYR 42 HA TYR 42 1.860 -3.358 -14.313 325 1HB TYR 42 HB2 TYR 42 4.092 -1.731 -15.318 326 2HB TYR 42 HB1 TYR 42 4.318 -2.337 -13.681 327 HD1 TYR 42 HD1 TYR 42 3.348 -3.493 -17.095 328 HD2 TYR 42 HD2 TYR 42 5.151 -4.484 -13.370 329 HE1 TYR 42 HE1 TYR 42 4.014 -5.678 -18.004 330 HE2 TYR 42 HE2 TYR 42 5.823 -6.671 -14.271 331 HH TYR 42 HH TYR 42 5.419 -7.469 -17.653 332 H PHE 43 HN PHE 43 1.989 0.118 -13.931 333 HA PHE 43 HA PHE 43 2.296 0.036 -11.077 334 1HB PHE 43 HB2 PHE 43 1.778 2.183 -13.097 335 2HB PHE 43 HB1 PHE 43 1.468 2.519 -11.396 336 HD1 PHE 43 HD1 PHE 43 3.900 2.475 -13.956 337 HD2 PHE 43 HD2 PHE 43 3.404 1.991 -9.758 338 HE1 PHE 43 HE1 PHE 43 6.290 2.953 -13.622 339 HE2 PHE 43 HE2 PHE 43 5.792 2.469 -9.415 340 HZ PHE 43 HZ PHE 43 7.239 2.952 -11.348 341 H MET 44 HN MET 44 -0.307 -0.284 -13.267 342 HA MET 44 HA MET 44 -2.410 0.636 -11.588 343 1HB MET 44 HB2 MET 44 -2.316 -1.146 -14.013 344 2HB MET 44 HB1 MET 44 -3.818 -0.853 -13.148 345 1HG MET 44 HG2 MET 44 -3.579 1.546 -13.547 346 2HG MET 44 HG1 MET 44 -2.075 1.247 -14.417 347 1HE MET 44 HE1 MET 44 -2.967 2.541 -16.608 348 2HE MET 44 HE2 MET 44 -4.379 2.937 -15.629 349 3HE MET 44 HE3 MET 44 -4.587 2.280 -17.253 350 H LYS 45 HN LYS 45 -0.682 -2.368 -11.944 351 HA LYS 45 HA LYS 45 -2.527 -3.914 -10.370 352 1HB LYS 45 HB2 LYS 45 -0.837 -4.716 -12.195 353 2HB LYS 45 HB1 LYS 45 0.320 -4.717 -10.869 354 1HG LYS 45 HG2 LYS 45 -0.433 -6.668 -10.147 355 2HG LYS 45 HG1 LYS 45 -2.086 -6.053 -10.066 356 1HD LYS 45 HD2 LYS 45 -2.193 -6.433 -12.574 357 2HD LYS 45 HD1 LYS 45 -0.690 -7.341 -12.399 358 1HE LYS 45 HE2 LYS 45 -1.729 -9.111 -11.499 359 2HE LYS 45 HE1 LYS 45 -2.757 -8.104 -10.479 360 1HZ LYS 45 HZ1 LYS 45 -4.353 -7.933 -12.104 361 2HZ LYS 45 HZ2 LYS 45 -3.804 -9.511 -12.359 362 3HZ LYS 45 HZ3 LYS 45 -3.280 -8.261 -13.370 363 H SER 46 HN SER 46 0.267 -1.936 -9.800 364 HA SER 46 HA SER 46 1.000 -2.961 -7.268 365 1HB SER 46 HB2 SER 46 1.377 -0.064 -7.901 366 2HB SER 46 HB1 SER 46 2.500 -1.207 -7.162 367 HG SER 46 HG SER 46 2.590 -2.209 -9.301 368 H ILE 47 HN ILE 47 -0.950 -0.126 -8.199 369 HA ILE 47 HA ILE 47 -1.753 0.590 -5.613 370 HB ILE 47 HB ILE 47 -3.509 0.955 -8.031 371 1HG1 ILE 47 HG12 ILE 47 -1.324 2.884 -7.291 372 2HG1 ILE 47 HG11 ILE 47 -1.002 1.540 -8.383 373 1HG2 ILE 47 HG21 ILE 47 -4.423 1.643 -5.883 374 2HG2 ILE 47 HG22 ILE 47 -4.113 3.042 -6.909 375 3HG2 ILE 47 HG23 ILE 47 -3.008 2.654 -5.592 376 1HD1 ILE 47 HD11 ILE 47 -2.908 2.381 -9.791 377 2HD1 ILE 47 HD12 ILE 47 -1.479 3.413 -9.728 378 3HD1 ILE 47 HD13 ILE 47 -2.907 3.825 -8.777 379 H ASP 48 HN ASP 48 -3.117 -1.663 -7.959 380 HA ASP 48 HA ASP 48 -5.516 -2.235 -6.606 381 1HB ASP 48 HB2 ASP 48 -3.966 -3.404 -8.802 382 2HB ASP 48 HB1 ASP 48 -4.857 -4.603 -7.865 383 H CYS 49 HN CYS 49 -2.250 -3.150 -6.061 384 HA CYS 49 HA CYS 49 -2.906 -5.350 -4.292 385 1HB CYS 49 HB2 CYS 49 -0.405 -4.155 -5.385 386 2HB CYS 49 HB1 CYS 49 -0.293 -5.016 -3.852 387 HG CYS 49 HG CYS 49 -1.648 -6.438 -6.650 388 H ILE 50 HN ILE 50 -1.497 -2.076 -4.030 389 HA ILE 50 HA ILE 50 -1.228 -2.088 -1.228 390 HB ILE 50 HB ILE 50 -0.281 -0.438 -3.028 391 1HG1 ILE 50 HG12 ILE 50 -1.194 0.809 -0.438 392 2HG1 ILE 50 HG11 ILE 50 0.027 -0.464 -0.474 393 1HG2 ILE 50 HG21 ILE 50 -2.408 1.417 -2.158 394 2HG2 ILE 50 HG22 ILE 50 -2.838 0.242 -3.399 395 3HG2 ILE 50 HG23 ILE 50 -1.499 1.356 -3.667 396 1HD1 ILE 50 HD11 ILE 50 0.361 1.956 -2.183 397 2HD1 ILE 50 HD12 ILE 50 1.582 0.877 -1.507 398 3HD1 ILE 50 HD13 ILE 50 0.744 2.024 -0.462 399 H ARG 51 HN ARG 51 -3.941 -1.780 -3.279 400 HA ARG 51 HA ARG 51 -5.616 -0.360 -1.416 401 1HB ARG 51 HB2 ARG 51 -6.001 -1.652 -4.083 402 2HB ARG 51 HB1 ARG 51 -7.418 -1.346 -3.088 403 1HG ARG 51 HG2 ARG 51 -5.774 0.993 -3.148 404 2HG ARG 51 HG1 ARG 51 -6.086 0.438 -4.795 405 1HD ARG 51 HD2 ARG 51 -8.532 0.254 -4.071 406 2HD ARG 51 HD1 ARG 51 -8.060 1.216 -2.671 407 HE ARG 51 HE ARG 51 -7.197 2.459 -5.061 408 1HH1 ARG 51 HH11 ARG 51 -10.060 1.842 -3.173 409 2HH1 ARG 51 HH12 ARG 51 -10.894 3.250 -3.741 410 1HH2 ARG 51 HH21 ARG 51 -8.287 4.313 -5.814 411 2HH2 ARG 51 HH22 ARG 51 -9.885 4.655 -5.243 412 H ALA 52 HN ALA 52 -5.544 -3.683 -2.694 413 HA ALA 52 HA ALA 52 -7.472 -4.746 -0.963 414 1HB ALA 52 HB1 ALA 52 -5.130 -6.147 -2.253 415 2HB ALA 52 HB2 ALA 52 -6.725 -5.911 -2.969 416 3HB ALA 52 HB3 ALA 52 -6.540 -6.937 -1.547 417 H PHE 53 HN PHE 53 -4.065 -4.127 -0.536 418 HA PHE 53 HA PHE 53 -3.811 -5.651 1.883 419 1HB PHE 53 HB2 PHE 53 -1.922 -5.113 0.294 420 2HB PHE 53 HB1 PHE 53 -1.980 -3.458 0.898 421 HD1 PHE 53 HD1 PHE 53 -1.307 -6.963 1.827 422 HD2 PHE 53 HD2 PHE 53 -1.007 -2.874 2.970 423 HE1 PHE 53 HE1 PHE 53 0.188 -7.593 3.676 424 HE2 PHE 53 HE2 PHE 53 0.490 -3.498 4.821 425 HZ PHE 53 HZ PHE 53 1.090 -5.860 5.175 426 H ARG 54 HN ARG 54 -3.695 -2.147 1.218 427 HA ARG 54 HA ARG 54 -3.706 -1.259 3.846 428 1HB ARG 54 HB2 ARG 54 -3.345 0.099 1.734 429 2HB ARG 54 HB1 ARG 54 -5.093 0.151 1.568 430 1HG ARG 54 HG2 ARG 54 -3.999 1.004 4.174 431 2HG ARG 54 HG1 ARG 54 -3.670 2.052 2.791 432 1HD ARG 54 HD2 ARG 54 -6.445 1.070 3.091 433 2HD ARG 54 HD1 ARG 54 -5.887 2.250 4.278 434 HE ARG 54 HE ARG 54 -5.176 3.440 2.011 435 1HH1 ARG 54 HH11 ARG 54 -8.148 1.845 2.887 436 2HH1 ARG 54 HH12 ARG 54 -9.132 2.838 1.865 437 1HH2 ARG 54 HH21 ARG 54 -6.465 4.754 0.664 438 2HH2 ARG 54 HH22 ARG 54 -8.176 4.491 0.602 439 H GLU 55 HN GLU 55 -6.326 -2.453 1.891 440 HA GLU 55 HA GLU 55 -8.418 -1.419 3.547 441 1HB GLU 55 HB2 GLU 55 -8.590 -2.094 1.090 442 2HB GLU 55 HB1 GLU 55 -8.651 -3.756 1.659 443 1HG GLU 55 HG2 GLU 55 -10.656 -3.252 2.947 444 2HG GLU 55 HG1 GLU 55 -10.589 -1.576 2.405 445 H GLU 56 HN GLU 56 -7.278 -4.756 2.978 446 HA GLU 56 HA GLU 56 -8.763 -5.858 5.118 447 1HB GLU 56 HB2 GLU 56 -6.473 -6.846 3.445 448 2HB GLU 56 HB1 GLU 56 -7.075 -7.795 4.801 449 1HG GLU 56 HG2 GLU 56 -9.350 -7.085 3.372 450 2HG GLU 56 HG1 GLU 56 -8.149 -7.482 2.144 451 H ALA 57 HN ALA 57 -5.757 -4.177 5.044 452 HA ALA 57 HA ALA 57 -4.814 -5.329 7.535 453 1HB ALA 57 HB1 ALA 57 -2.845 -4.042 7.234 454 2HB ALA 57 HB2 ALA 57 -3.626 -3.002 6.043 455 3HB ALA 57 HB3 ALA 57 -3.282 -4.687 5.652 456 H ILE 58 HN ILE 58 -5.450 -1.988 6.439 457 HA ILE 58 HA ILE 58 -5.421 -0.821 8.967 458 HB ILE 58 HB ILE 58 -7.006 0.082 6.561 459 1HG1 ILE 58 HG12 ILE 58 -4.649 -0.146 6.017 460 2HG1 ILE 58 HG11 ILE 58 -5.056 1.563 6.149 461 1HG2 ILE 58 HG21 ILE 58 -7.859 1.289 8.373 462 2HG2 ILE 58 HG22 ILE 58 -6.639 2.355 7.677 463 3HG2 ILE 58 HG23 ILE 58 -6.277 1.435 9.137 464 1HD1 ILE 58 HD11 ILE 58 -4.228 0.999 8.676 465 2HD1 ILE 58 HD12 ILE 58 -3.213 1.675 7.401 466 3HD1 ILE 58 HD13 ILE 58 -3.200 -0.061 7.712 467 H LYS 59 HN LYS 59 -8.090 -2.325 7.205 468 HA LYS 59 HA LYS 59 -10.202 -1.497 8.810 469 1HB LYS 59 HB2 LYS 59 -9.721 -3.853 7.052 470 2HB LYS 59 HB1 LYS 59 -11.096 -3.913 8.146 471 1HG LYS 59 HG2 LYS 59 -11.389 -1.442 7.044 472 2HG LYS 59 HG1 LYS 59 -10.704 -2.361 5.699 473 1HD LYS 59 HD2 LYS 59 -12.468 -3.951 5.777 474 2HD LYS 59 HD1 LYS 59 -13.052 -3.326 7.321 475 1HE LYS 59 HE2 LYS 59 -14.137 -1.586 6.360 476 2HE LYS 59 HE1 LYS 59 -12.926 -1.393 5.093 477 1HZ LYS 59 HZ1 LYS 59 -13.853 -3.447 4.068 478 2HZ LYS 59 HZ2 LYS 59 -14.926 -2.139 4.086 479 3HZ LYS 59 HZ3 LYS 59 -15.110 -3.399 5.201 480 H PHE 60 HN PHE 60 -8.027 -4.289 9.214 481 HA PHE 60 HA PHE 60 -8.134 -4.204 12.010 482 1HB PHE 60 HB2 PHE 60 -9.464 -6.184 12.545 483 2HB PHE 60 HB1 PHE 60 -10.451 -4.968 11.741 484 HD1 PHE 60 HD1 PHE 60 -10.462 -5.290 9.055 485 HD2 PHE 60 HD2 PHE 60 -9.811 -8.350 11.937 486 HE1 PHE 60 HE1 PHE 60 -11.194 -6.977 7.422 487 HE2 PHE 60 HE2 PHE 60 -10.540 -10.045 10.309 488 HZ PHE 60 HZ PHE 60 -11.233 -9.358 8.047 489 H SER 61 HN SER 61 -5.923 -4.449 11.708 490 HA SER 61 HA SER 61 -4.944 -7.071 11.878 491 1HB SER 61 HB2 SER 61 -5.102 -5.952 9.175 492 2HB SER 61 HB1 SER 61 -3.491 -6.526 9.609 493 HG SER 61 HG SER 61 -4.438 -8.534 10.149 494 H GLU 62 HN GLU 62 -3.023 -4.902 9.989 495 HA GLU 62 HA GLU 62 -1.617 -4.026 12.419 496 1HB GLU 62 HB2 GLU 62 -0.445 -5.257 9.931 497 2HB GLU 62 HB1 GLU 62 0.519 -4.260 11.017 498 1HG GLU 62 HG2 GLU 62 0.098 -5.789 12.844 499 2HG GLU 62 HG1 GLU 62 -0.953 -6.764 11.815 500 H GLU 63 HN GLU 63 -3.179 -2.220 11.767 501 HA GLU 63 HA GLU 63 -2.880 -0.599 9.571 502 1HB GLU 63 HB2 GLU 63 -3.596 1.283 11.107 503 2HB GLU 63 HB1 GLU 63 -4.641 -0.131 11.080 504 1HG GLU 63 HG2 GLU 63 -3.495 -0.925 13.147 505 2HG GLU 63 HG1 GLU 63 -2.643 0.620 13.199 506 H GLN 64 HN GLN 64 -0.841 -0.718 12.444 507 HA GLN 64 HA GLN 64 0.651 1.639 11.856 508 1HB GLN 64 HB2 GLN 64 1.219 -0.745 13.622 509 2HB GLN 64 HB1 GLN 64 2.303 0.634 13.497 510 1HG GLN 64 HG2 GLN 64 0.533 2.106 14.302 511 2HG GLN 64 HG1 GLN 64 -0.563 0.729 14.414 512 1HE2 GLN 64 HE21 GLN 64 -0.468 -0.586 16.156 513 2HE2 GLN 64 HE22 GLN 64 0.602 -0.353 17.492 514 H ARG 65 HN ARG 65 0.782 -1.612 10.711 515 HA ARG 65 HA ARG 65 3.502 -1.591 9.854 516 1HB ARG 65 HB2 ARG 65 2.390 -3.708 10.192 517 2HB ARG 65 HB1 ARG 65 1.144 -3.290 9.024 518 1HG ARG 65 HG2 ARG 65 2.797 -3.327 7.233 519 2HG ARG 65 HG1 ARG 65 4.058 -3.726 8.401 520 1HD ARG 65 HD2 ARG 65 2.384 -5.694 8.982 521 2HD ARG 65 HD1 ARG 65 1.856 -5.407 7.322 522 HE ARG 65 HE ARG 65 4.280 -5.735 6.729 523 1HH1 ARG 65 HH11 ARG 65 2.859 -7.199 9.554 524 2HH1 ARG 65 HH12 ARG 65 3.976 -8.521 9.589 525 1HH2 ARG 65 HH21 ARG 65 5.755 -7.472 6.768 526 2HH2 ARG 65 HH22 ARG 65 5.623 -8.677 8.006 527 H PHE 66 HN PHE 66 0.554 -0.309 8.627 528 HA PHE 66 HA PHE 66 1.574 -0.044 5.919 529 1HB PHE 66 HB2 PHE 66 -0.887 -0.526 6.532 530 2HB PHE 66 HB1 PHE 66 -0.981 1.194 6.917 531 HD1 PHE 66 HD1 PHE 66 -0.862 2.864 5.187 532 HD2 PHE 66 HD2 PHE 66 -0.579 -1.275 4.243 533 HE1 PHE 66 HE1 PHE 66 -1.208 3.386 2.809 534 HE2 PHE 66 HE2 PHE 66 -0.924 -0.760 1.865 535 HZ PHE 66 HZ PHE 66 -1.239 1.574 1.145 536 H ASN 67 HN ASN 67 0.667 2.068 8.645 537 HA ASN 67 HA ASN 67 1.405 4.469 7.320 538 1HB ASN 67 HB2 ASN 67 1.557 5.345 9.759 539 2HB ASN 67 HB1 ASN 67 -0.010 4.851 9.140 540 1HD2 ASN 67 HD21 ASN 67 -1.142 3.739 10.516 541 2HD2 ASN 67 HD22 ASN 67 -0.524 2.697 11.745 542 H ASN 68 HN ASN 68 3.139 1.947 8.755 543 HA ASN 68 HA ASN 68 5.521 3.432 9.403 544 1HB ASN 68 HB2 ASN 68 5.014 1.290 10.523 545 2HB ASN 68 HB1 ASN 68 5.146 0.454 8.978 546 1HD2 ASN 68 HD21 ASN 68 6.816 1.771 11.650 547 2HD2 ASN 68 HD22 ASN 68 8.413 1.345 11.150 548 H PHE 69 HN PHE 69 4.771 1.002 6.913 549 HA PHE 69 HA PHE 69 7.017 1.514 5.312 550 1HB PHE 69 HB2 PHE 69 5.263 -0.437 5.256 551 2HB PHE 69 HB1 PHE 69 4.434 0.600 4.096 552 HD1 PHE 69 HD1 PHE 69 7.346 -1.501 4.710 553 HD2 PHE 69 HD2 PHE 69 5.423 1.084 1.930 554 HE1 PHE 69 HE1 PHE 69 8.815 -2.338 2.922 555 HE2 PHE 69 HE2 PHE 69 6.888 0.251 0.137 556 HZ PHE 69 HZ PHE 69 8.587 -1.462 0.632 557 H LEU 70 HN LEU 70 3.879 3.033 5.465 558 HA LEU 70 HA LEU 70 3.936 4.441 3.030 559 1HB LEU 70 HB2 LEU 70 2.426 4.596 5.551 560 2HB LEU 70 HB1 LEU 70 2.576 6.127 4.711 561 HG LEU 70 HG LEU 70 1.216 3.613 3.775 562 1HD1 LEU 70 HD11 LEU 70 -0.152 6.103 3.337 563 2HD1 LEU 70 HD12 LEU 70 0.356 5.966 5.020 564 3HD1 LEU 70 HD13 LEU 70 -0.644 4.706 4.297 565 1HD2 LEU 70 HD21 LEU 70 2.057 5.989 2.123 566 2HD2 LEU 70 HD22 LEU 70 0.815 4.837 1.631 567 3HD2 LEU 70 HD23 LEU 70 2.477 4.295 1.867 568 H LYS 71 HN LYS 71 4.883 5.435 6.302 569 HA LYS 71 HA LYS 71 5.763 8.002 5.701 570 1HB LYS 71 HB2 LYS 71 6.282 6.051 7.881 571 2HB LYS 71 HB1 LYS 71 7.388 7.411 7.740 572 1HG LYS 71 HG2 LYS 71 4.658 8.300 7.557 573 2HG LYS 71 HG1 LYS 71 4.920 7.360 9.029 574 1HD LYS 71 HD2 LYS 71 7.037 8.821 9.301 575 2HD LYS 71 HD1 LYS 71 6.252 9.894 8.140 576 1HE LYS 71 HE2 LYS 71 4.285 10.010 9.617 577 2HE LYS 71 HE1 LYS 71 5.118 8.986 10.785 578 1HZ LYS 71 HZ1 LYS 71 6.173 11.600 9.861 579 2HZ LYS 71 HZ2 LYS 71 6.734 10.663 11.152 580 3HZ LYS 71 HZ3 LYS 71 5.224 11.417 11.250 581 H ALA 72 HN ALA 72 7.623 4.955 5.791 582 HA ALA 72 HA ALA 72 10.089 6.165 5.089 583 1HB ALA 72 HB1 ALA 72 10.840 3.859 4.644 584 2HB ALA 72 HB2 ALA 72 9.177 3.303 4.831 585 3HB ALA 72 HB3 ALA 72 10.025 4.023 6.200 586 H LEU 73 HN LEU 73 7.701 4.380 3.159 587 HA LEU 73 HA LEU 73 8.998 4.371 0.720 588 1HB LEU 73 HB2 LEU 73 6.965 3.123 1.088 589 2HB LEU 73 HB1 LEU 73 6.051 4.604 1.317 590 HG LEU 73 HG LEU 73 6.661 5.175 -1.096 591 1HD1 LEU 73 HD11 LEU 73 8.474 3.591 -1.386 592 2HD1 LEU 73 HD12 LEU 73 7.178 3.254 -2.533 593 3HD1 LEU 73 HD13 LEU 73 7.369 2.246 -1.100 594 1HD2 LEU 73 HD21 LEU 73 4.951 3.389 -1.931 595 2HD2 LEU 73 HD22 LEU 73 4.442 4.643 -0.800 596 3HD2 LEU 73 HD23 LEU 73 4.798 3.019 -0.213 597 H GLN 74 HN GLN 74 6.691 6.804 1.913 598 HA GLN 74 HA GLN 74 6.716 8.517 -0.266 599 1HB GLN 74 HB2 GLN 74 5.228 8.694 1.743 600 2HB GLN 74 HB1 GLN 74 6.581 9.398 2.618 601 1HG GLN 74 HG2 GLN 74 5.903 10.669 0.048 602 2HG GLN 74 HG1 GLN 74 4.717 10.839 1.341 603 1HE2 GLN 74 HE21 GLN 74 6.959 12.519 -0.065 604 2HE2 GLN 74 HE22 GLN 74 7.671 13.360 1.265 605 H GLU 75 HN GLU 75 8.817 8.619 2.604 606 HA GLU 75 HA GLU 75 10.372 10.807 1.798 607 1HB GLU 75 HB2 GLU 75 10.662 8.595 3.753 608 2HB GLU 75 HB1 GLU 75 12.143 9.416 3.276 609 1HG GLU 75 HG2 GLU 75 11.245 11.536 3.993 610 2HG GLU 75 HG1 GLU 75 9.696 10.784 4.370 611 H LYS 76 HN LYS 76 10.511 7.414 0.999 612 HA LYS 76 HA LYS 76 13.096 7.433 -0.177 613 1HB LYS 76 HB2 LYS 76 10.901 5.537 0.142 614 2HB LYS 76 HB1 LYS 76 11.722 5.369 -1.404 615 1HG LYS 76 HG2 LYS 76 13.866 5.160 -0.223 616 2HG LYS 76 HG1 LYS 76 13.011 5.273 1.316 617 1HD LYS 76 HD2 LYS 76 11.648 3.272 0.521 618 2HD LYS 76 HD1 LYS 76 12.862 3.093 -0.749 619 1HE LYS 76 HE2 LYS 76 14.610 2.905 0.956 620 2HE LYS 76 HE1 LYS 76 13.394 3.080 2.221 621 1HZ LYS 76 HZ1 LYS 76 13.850 0.782 1.972 622 2HZ LYS 76 HZ2 LYS 76 13.673 0.846 0.291 623 3HZ LYS 76 HZ3 LYS 76 12.324 1.046 1.291 624 H VAL 77 HN VAL 77 9.809 7.737 -1.522 625 HA VAL 77 HA VAL 77 10.609 7.813 -4.220 626 HB VAL 77 HB VAL 77 8.418 7.832 -4.572 627 1HG1 VAL 77 HG11 VAL 77 7.894 6.905 -2.517 628 2HG1 VAL 77 HG12 VAL 77 6.821 8.301 -2.617 629 3HG1 VAL 77 HG13 VAL 77 8.284 8.382 -1.639 630 1HG2 VAL 77 HG21 VAL 77 7.083 9.866 -4.309 631 2HG2 VAL 77 HG22 VAL 77 8.657 10.204 -5.029 632 3HG2 VAL 77 HG23 VAL 77 8.366 10.579 -3.330 633 H GLU 78 HN GLU 78 10.590 10.226 -1.700 634 HA GLU 78 HA GLU 78 10.927 12.503 -3.356 635 1HB GLU 78 HB2 GLU 78 11.346 11.869 -0.473 636 2HB GLU 78 HB1 GLU 78 12.150 13.295 -1.113 637 1HG GLU 78 HG2 GLU 78 9.880 14.005 -1.984 638 2HG GLU 78 HG1 GLU 78 9.210 12.723 -0.977 639 H ILE 79 HN ILE 79 13.048 10.119 -1.989 640 HA ILE 79 HA ILE 79 15.526 11.372 -2.577 641 HB ILE 79 HB ILE 79 15.109 8.385 -2.531 642 1HG1 ILE 79 HG12 ILE 79 14.016 9.245 -0.554 643 2HG1 ILE 79 HG11 ILE 79 15.550 8.519 -0.082 644 1HG2 ILE 79 HG21 ILE 79 17.444 10.201 -2.008 645 2HG2 ILE 79 HG22 ILE 79 17.302 8.902 -3.193 646 3HG2 ILE 79 HG23 ILE 79 17.418 8.521 -1.475 647 1HD1 ILE 79 HD11 ILE 79 15.315 10.522 1.148 648 2HD1 ILE 79 HD12 ILE 79 14.881 11.440 -0.294 649 3HD1 ILE 79 HD13 ILE 79 16.525 10.831 -0.098 650 H LYS 80 HN LYS 80 13.171 10.486 -4.641 651 HA LYS 80 HA LYS 80 13.042 10.421 -6.889 652 1HB LYS 80 HB2 LYS 80 14.606 11.594 -7.957 653 2HB LYS 80 HB1 LYS 80 15.501 11.639 -6.448 654 1HG LYS 80 HG2 LYS 80 16.939 9.939 -7.104 655 2HG LYS 80 HG1 LYS 80 15.832 9.347 -8.344 656 1HD LYS 80 HD2 LYS 80 17.179 10.469 -9.753 657 2HD LYS 80 HD1 LYS 80 16.271 11.880 -9.208 658 1HE LYS 80 HE2 LYS 80 18.139 11.728 -7.269 659 2HE LYS 80 HE1 LYS 80 19.045 11.066 -8.629 660 1HZ LYS 80 HZ1 LYS 80 18.379 13.077 -9.900 661 2HZ LYS 80 HZ2 LYS 80 19.382 13.405 -8.578 662 3HZ LYS 80 HZ3 LYS 80 17.724 13.719 -8.477 663 H GLN 81 HN GLN 81 12.304 8.563 -7.536 664 HA GLN 81 HA GLN 81 13.749 6.488 -8.602 665 1HB GLN 81 HB2 GLN 81 13.713 6.371 -5.719 666 2HB GLN 81 HB1 GLN 81 12.854 4.990 -6.389 667 1HG GLN 81 HG2 GLN 81 14.760 4.305 -7.630 668 2HG GLN 81 HG1 GLN 81 15.615 5.800 -7.252 669 1HE2 GLN 81 HE21 GLN 81 15.886 6.196 -4.853 670 2HE2 GLN 81 HE22 GLN 81 16.352 4.835 -3.895 671 H LEU 82 HN LEU 82 10.916 7.393 -6.734 672 HA LEU 82 HA LEU 82 9.208 6.156 -8.743 673 1HB LEU 82 HB2 LEU 82 7.784 5.364 -6.649 674 2HB LEU 82 HB1 LEU 82 9.013 4.350 -7.382 675 HG LEU 82 HG LEU 82 10.121 6.048 -5.302 676 1HD1 LEU 82 HD11 LEU 82 9.028 5.185 -3.412 677 2HD1 LEU 82 HD12 LEU 82 8.154 3.983 -4.362 678 3HD1 LEU 82 HD13 LEU 82 7.737 5.691 -4.502 679 1HD2 LEU 82 HD21 LEU 82 10.538 3.526 -6.478 680 2HD2 LEU 82 HD22 LEU 82 10.214 3.240 -4.768 681 3HD2 LEU 82 HD23 LEU 82 11.518 4.325 -5.249 682 H ASN 83 HN ASN 83 9.697 8.848 -8.382 683 HA ASN 83 HA ASN 83 7.882 10.163 -6.677 684 1HB ASN 83 HB2 ASN 83 9.924 11.096 -7.988 685 2HB ASN 83 HB1 ASN 83 8.771 11.330 -9.298 686 1HD2 ASN 83 HD21 ASN 83 9.389 12.094 -5.913 687 2HD2 ASN 83 HD22 ASN 83 8.550 13.603 -5.914 688 H HIS 84 HN HIS 84 7.365 8.382 -9.503 689 HA HIS 84 HA HIS 84 5.028 9.812 -10.394 690 1HB HIS 84 HB2 HIS 84 4.875 7.370 -11.626 691 2HB HIS 84 HB1 HIS 84 5.731 8.770 -12.261 692 HD1 HIS 84 HD1 HIS 84 6.275 5.404 -10.769 693 HD2 HIS 84 HD2 HIS 84 8.545 8.631 -12.076 694 HE1 HIS 84 HE1 HIS 84 8.636 4.552 -10.909 695 HE2 HIS 84 HE2 HIS 84 9.980 6.502 -11.771 696 H PHE 85 HN PHE 85 5.708 6.993 -8.403 697 HA PHE 85 HA PHE 85 3.097 5.938 -8.347 698 1HB PHE 85 HB2 PHE 85 5.301 4.875 -7.505 699 2HB PHE 85 HB1 PHE 85 4.974 5.743 -6.004 700 HD1 PHE 85 HD1 PHE 85 3.782 4.651 -4.364 701 HD2 PHE 85 HD2 PHE 85 3.239 3.493 -8.426 702 HE1 PHE 85 HE1 PHE 85 2.280 2.833 -3.641 703 HE2 PHE 85 HE2 PHE 85 1.741 1.677 -7.710 704 HZ PHE 85 HZ PHE 85 1.260 1.347 -5.319 705 H TRP 86 HN TRP 86 4.596 8.576 -6.609 706 HA TRP 86 HA TRP 86 2.533 8.774 -4.636 707 1HB TRP 86 HB2 TRP 86 4.948 9.609 -4.439 708 2HB TRP 86 HB1 TRP 86 4.430 10.979 -5.417 709 HD1 TRP 86 HD1 TRP 86 3.751 12.984 -4.035 710 HE1 TRP 86 HE1 TRP 86 2.789 13.386 -1.675 711 HE3 TRP 86 HE3 TRP 86 3.288 8.131 -2.527 712 HZ2 TRP 86 HZ2 TRP 86 1.943 11.830 0.535 713 HZ3 TRP 86 HZ3 TRP 86 2.397 7.667 -0.282 714 HH2 TRP 86 HH2 TRP 86 1.741 9.479 1.215 715 H GLU 87 HN GLU 87 3.383 10.601 -7.570 716 HA GLU 87 HA GLU 87 1.224 12.396 -7.478 717 1HB GLU 87 HB2 GLU 87 2.928 11.358 -9.736 718 2HB GLU 87 HB1 GLU 87 1.618 12.494 -10.025 719 1HG GLU 87 HG2 GLU 87 2.664 14.120 -8.576 720 2HG GLU 87 HG1 GLU 87 3.944 12.976 -8.177 721 H ILE 88 HN ILE 88 1.405 9.088 -8.187 722 HA ILE 88 HA ILE 88 -1.073 8.979 -9.715 723 HB ILE 88 HB ILE 88 0.813 6.845 -8.722 724 1HG1 ILE 88 HG12 ILE 88 -0.098 7.380 -11.544 725 2HG1 ILE 88 HG11 ILE 88 1.237 8.279 -10.823 726 1HG2 ILE 88 HG21 ILE 88 -0.744 5.323 -10.129 727 2HG2 ILE 88 HG22 ILE 88 -1.956 6.564 -9.815 728 3HG2 ILE 88 HG23 ILE 88 -1.192 5.717 -8.471 729 1HD1 ILE 88 HD11 ILE 88 2.356 6.600 -11.893 730 2HD1 ILE 88 HD12 ILE 88 1.079 5.417 -11.612 731 3HD1 ILE 88 HD13 ILE 88 2.152 5.885 -10.294 732 H VAL 89 HN VAL 89 0.093 7.560 -6.671 733 HA VAL 89 HA VAL 89 -2.231 6.662 -5.575 734 HB VAL 89 HB VAL 89 0.150 7.960 -4.259 735 1HG1 VAL 89 HG11 VAL 89 -1.707 8.375 -2.768 736 2HG1 VAL 89 HG12 VAL 89 -0.684 7.103 -2.101 737 3HG1 VAL 89 HG13 VAL 89 -2.211 6.689 -2.880 738 1HG2 VAL 89 HG21 VAL 89 0.140 5.645 -5.432 739 2HG2 VAL 89 HG22 VAL 89 -0.712 5.110 -3.985 740 3HG2 VAL 89 HG23 VAL 89 0.899 5.810 -3.849 741 H VAL 90 HN VAL 90 -1.136 9.973 -5.852 742 HA VAL 90 HA VAL 90 -3.345 10.984 -4.248 743 HB VAL 90 HB VAL 90 -1.071 12.053 -4.163 744 1HG1 VAL 90 HG11 VAL 90 -0.638 11.893 -6.610 745 2HG1 VAL 90 HG12 VAL 90 -0.332 13.486 -5.920 746 3HG1 VAL 90 HG13 VAL 90 -1.803 13.195 -6.849 747 1HG2 VAL 90 HG21 VAL 90 -3.293 13.887 -5.050 748 2HG2 VAL 90 HG22 VAL 90 -1.917 14.305 -4.029 749 3HG2 VAL 90 HG23 VAL 90 -3.146 13.188 -3.437 750 H GLN 91 HN GLN 91 -2.240 10.954 -7.599 751 HA GLN 91 HA GLN 91 -4.081 12.476 -8.880 752 1HB GLN 91 HB2 GLN 91 -2.409 10.261 -9.618 753 2HB GLN 91 HB1 GLN 91 -3.964 10.105 -10.422 754 1HG GLN 91 HG2 GLN 91 -3.672 12.510 -11.154 755 2HG GLN 91 HG1 GLN 91 -2.004 12.370 -10.600 756 1HE2 GLN 91 HE21 GLN 91 -4.174 11.808 -13.124 757 2HE2 GLN 91 HE22 GLN 91 -3.120 10.920 -14.165 758 H ASP 92 HN ASP 92 -4.625 9.382 -7.350 759 HA ASP 92 HA ASP 92 -7.357 9.247 -8.395 760 1HB ASP 92 HB2 ASP 92 -5.579 7.401 -6.853 761 2HB ASP 92 HB1 ASP 92 -7.320 7.194 -6.709 762 H GLY 93 HN GLY 93 -5.678 9.499 -5.300 763 1HA GLY 93 HA2 GLY 93 -6.523 11.400 -3.867 764 2HA GLY 93 HA1 GLY 93 -8.122 10.736 -4.179 765 H ILE 94 HN ILE 94 -5.250 8.801 -3.516 766 HA ILE 94 HA ILE 94 -6.614 7.504 -1.338 767 HB ILE 94 HB ILE 94 -3.709 7.139 -2.033 768 1HG1 ILE 94 HG12 ILE 94 -6.042 5.658 -3.266 769 2HG1 ILE 94 HG11 ILE 94 -5.165 6.956 -4.073 770 1HG2 ILE 94 HG21 ILE 94 -5.713 5.173 -0.941 771 2HG2 ILE 94 HG22 ILE 94 -4.646 6.150 0.067 772 3HG2 ILE 94 HG23 ILE 94 -3.965 4.975 -1.058 773 1HD1 ILE 94 HD11 ILE 94 -3.770 5.437 -4.862 774 2HD1 ILE 94 HD12 ILE 94 -4.536 4.174 -3.898 775 3HD1 ILE 94 HD13 ILE 94 -3.223 5.131 -3.214 776 H THR 95 HN THR 95 -6.090 7.589 0.843 777 HA THR 95 HA THR 95 -4.717 10.039 1.638 778 HB THR 95 HB THR 95 -5.861 9.974 3.670 779 HG1 THR 95 HG1 THR 95 -6.856 8.082 4.461 780 1HG2 THR 95 HG21 THR 95 -7.340 10.393 1.719 781 2HG2 THR 95 HG22 THR 95 -8.195 9.705 3.099 782 3HG2 THR 95 HG23 THR 95 -7.777 8.685 1.723 783 H LEU 96 HN LEU 96 -4.075 9.444 4.225 784 HA LEU 96 HA LEU 96 -1.837 7.558 3.892 785 1HB LEU 96 HB2 LEU 96 -1.972 10.316 4.901 786 2HB LEU 96 HB1 LEU 96 -1.087 9.212 5.939 787 HG LEU 96 HG LEU 96 0.222 10.547 4.185 788 1HD1 LEU 96 HD11 LEU 96 1.265 8.041 3.589 789 2HD1 LEU 96 HD12 LEU 96 0.484 7.853 5.159 790 3HD1 LEU 96 HD13 LEU 96 1.715 9.093 4.930 791 1HD2 LEU 96 HD21 LEU 96 -0.388 8.354 2.285 792 2HD2 LEU 96 HD22 LEU 96 0.124 10.013 1.976 793 3HD2 LEU 96 HD23 LEU 96 -1.551 9.674 2.410 794 H ILE 97 HN ILE 97 -4.720 7.654 5.105 795 HA ILE 97 HA ILE 97 -5.749 6.241 6.600 796 HB ILE 97 HB ILE 97 -2.932 5.588 7.182 797 1HG1 ILE 97 HG12 ILE 97 -4.291 3.312 7.519 798 2HG1 ILE 97 HG11 ILE 97 -5.502 4.213 6.608 799 1HG2 ILE 97 HG21 ILE 97 -3.568 4.402 9.306 800 2HG2 ILE 97 HG22 ILE 97 -5.035 5.382 9.318 801 3HG2 ILE 97 HG23 ILE 97 -3.452 6.160 9.416 802 1HD1 ILE 97 HD11 ILE 97 -3.585 2.710 5.476 803 2HD1 ILE 97 HD12 ILE 97 -2.769 4.272 5.510 804 3HD1 ILE 97 HD13 ILE 97 -4.322 4.106 4.693 805 H THR 98 HN THR 98 -6.990 7.067 8.155 806 HA THR 98 HA THR 98 -5.831 9.174 9.861 807 HB THR 98 HB THR 98 -8.756 9.183 9.389 808 HG1 THR 98 HG1 THR 98 -8.314 10.414 7.402 809 1HG2 THR 98 HG21 THR 98 -6.609 11.295 9.578 810 2HG2 THR 98 HG22 THR 98 -7.790 10.864 10.815 811 3HG2 THR 98 HG23 THR 98 -8.319 11.636 9.320 812 H LYS 99 HN LYS 99 -6.725 9.452 11.948 813 HA LYS 99 HA LYS 99 -6.769 7.455 13.666 814 1HB LYS 99 HB2 LYS 99 -6.987 9.749 14.383 815 2HB LYS 99 HB1 LYS 99 -8.624 9.833 13.747 816 1HG LYS 99 HG2 LYS 99 -9.140 7.936 15.407 817 2HG LYS 99 HG1 LYS 99 -7.620 8.399 16.174 818 1HD LYS 99 HD2 LYS 99 -9.245 10.716 15.595 819 2HD LYS 99 HD1 LYS 99 -10.131 9.547 16.576 820 1HE LYS 99 HE2 LYS 99 -8.246 9.488 18.161 821 2HE LYS 99 HE1 LYS 99 -7.412 10.702 17.192 822 1HZ LYS 99 HZ1 LYS 99 -8.647 12.331 18.050 823 2HZ LYS 99 HZ2 LYS 99 -9.060 11.229 19.264 824 3HZ LYS 99 HZ3 LYS 99 -10.088 11.452 17.940 825 H GLU 100 HN GLU 100 -10.026 8.705 13.142 826 HA GLU 100 HA GLU 100 -11.281 6.317 13.858 827 1HB GLU 100 HB2 GLU 100 -12.377 8.476 13.993 828 2HB GLU 100 HB1 GLU 100 -12.359 8.626 12.240 829 1HG GLU 100 HG2 GLU 100 -13.910 6.832 12.001 830 2HG GLU 100 HG1 GLU 100 -13.790 6.427 13.712 831 H GLU 101 HN GLU 101 -9.795 7.154 10.905 832 HA GLU 101 HA GLU 101 -11.374 5.572 9.156 833 1HB GLU 101 HB2 GLU 101 -9.441 7.390 8.747 834 2HB GLU 101 HB1 GLU 101 -8.486 5.924 8.564 835 1HG GLU 101 HG2 GLU 101 -10.072 5.140 6.850 836 2HG GLU 101 HG1 GLU 101 -10.952 6.662 7.003 837 H ALA 102 HN ALA 102 -10.352 4.350 11.716 838 HA ALA 102 HA ALA 102 -9.418 1.840 10.525 839 1HB ALA 102 HB1 ALA 102 -7.847 1.505 12.387 840 2HB ALA 102 HB2 ALA 102 -8.224 3.122 12.981 841 3HB ALA 102 HB3 ALA 102 -7.435 2.919 11.417 842 H SER 103 HN SER 103 -10.336 3.251 13.672 843 HA SER 103 HA SER 103 -12.722 1.848 13.989 844 1HB SER 103 HB2 SER 103 -10.356 0.264 14.563 845 2HB SER 103 HB1 SER 103 -11.381 0.428 15.989 846 HG SER 103 HG SER 103 -12.772 -0.859 15.094 847 H GLY 104 HN GLY 104 -9.880 3.201 15.537 848 1HA GLY 104 HA2 GLY 104 -11.024 5.252 16.892 849 2HA GLY 104 HA1 GLY 104 -11.264 3.886 17.976 850 H SER 105 HN SER 105 -8.569 4.715 15.846 851 HA SER 105 HA SER 105 -6.812 4.793 18.216 852 1HB SER 105 HB2 SER 105 -6.238 3.633 15.486 853 2HB SER 105 HB1 SER 105 -5.004 3.897 16.719 854 HG SER 105 HG SER 105 -6.359 2.534 18.096 855 H SER 106 HN SER 106 -5.666 6.542 18.534 856 HA SER 106 HA SER 106 -6.012 8.842 17.033 857 1HB SER 106 HB2 SER 106 -3.731 8.126 18.890 858 2HB SER 106 HB1 SER 106 -4.123 9.753 18.337 859 HG SER 106 HG SER 106 -5.191 8.353 20.365 860 H VAL 107 HN VAL 107 -5.031 9.720 15.374 861 HA VAL 107 HA VAL 107 -2.562 8.546 14.327 862 HB VAL 107 HB VAL 107 -5.090 8.978 12.741 863 1HG1 VAL 107 HG11 VAL 107 -3.721 9.847 11.159 864 2HG1 VAL 107 HG12 VAL 107 -3.339 8.149 10.873 865 3HG1 VAL 107 HG13 VAL 107 -2.272 9.136 11.871 866 1HG2 VAL 107 HG21 VAL 107 -4.459 6.645 11.967 867 2HG2 VAL 107 HG22 VAL 107 -4.991 6.800 13.641 868 3HG2 VAL 107 HG23 VAL 107 -3.274 6.645 13.272 869 H THR 108 HN THR 108 -1.121 10.081 14.187 870 HA THR 108 HA THR 108 -1.459 12.742 14.686 871 HB THR 108 HB THR 108 0.691 11.244 14.350 872 HG1 THR 108 HG1 THR 108 0.720 13.298 15.314 873 1HG2 THR 108 HG21 THR 108 0.209 11.340 11.789 874 2HG2 THR 108 HG22 THR 108 1.865 11.507 12.372 875 3HG2 THR 108 HG23 THR 108 0.949 12.938 11.896 876 H ALA 109 HN ALA 109 -1.494 14.627 13.483 877 HA ALA 109 HA ALA 109 -3.025 14.507 11.040 878 1HB ALA 109 HB1 ALA 109 -1.978 16.841 12.641 879 2HB ALA 109 HB2 ALA 109 -3.614 16.183 12.669 880 3HB ALA 109 HB3 ALA 109 -3.011 16.984 11.219 881 H GLU 110 HN GLU 110 0.194 14.436 11.836 882 HA GLU 110 HA GLU 110 1.241 15.995 9.637 883 1HB GLU 110 HB2 GLU 110 2.448 14.305 11.805 884 2HB GLU 110 HB1 GLU 110 3.418 14.780 10.417 885 1HG GLU 110 HG2 GLU 110 3.123 17.098 10.919 886 2HG GLU 110 HG1 GLU 110 1.957 16.722 12.187 887 H GLU 111 HN GLU 111 0.015 12.893 10.118 888 HA GLU 111 HA GLU 111 1.623 11.559 8.127 889 1HB GLU 111 HB2 GLU 111 0.975 10.077 9.791 890 2HB GLU 111 HB1 GLU 111 -0.636 10.772 9.928 891 1HG GLU 111 HG2 GLU 111 -1.426 9.630 8.086 892 2HG GLU 111 HG1 GLU 111 0.189 9.327 7.448 893 H ALA 112 HN ALA 112 -1.771 12.635 8.414 894 HA ALA 112 HA ALA 112 -2.260 11.924 5.654 895 1HB ALA 112 HB1 ALA 112 -4.563 12.946 6.246 896 2HB ALA 112 HB2 ALA 112 -3.965 12.885 7.904 897 3HB ALA 112 HB3 ALA 112 -4.087 11.402 6.955 898 H LYS 113 HN LYS 113 -1.766 14.869 7.519 899 HA LYS 113 HA LYS 113 -2.599 16.540 5.309 900 1HB LYS 113 HB2 LYS 113 -1.329 17.356 7.920 901 2HB LYS 113 HB1 LYS 113 -2.135 18.415 6.771 902 1HG LYS 113 HG2 LYS 113 -4.115 16.666 7.225 903 2HG LYS 113 HG1 LYS 113 -3.270 16.573 8.772 904 1HD LYS 113 HD2 LYS 113 -3.609 18.839 9.228 905 2HD LYS 113 HD1 LYS 113 -3.965 19.218 7.541 906 1HE LYS 113 HE2 LYS 113 -6.094 18.217 7.659 907 2HE LYS 113 HE1 LYS 113 -5.716 17.407 9.178 908 1HZ LYS 113 HZ1 LYS 113 -7.184 19.449 9.296 909 2HZ LYS 113 HZ2 LYS 113 -5.796 20.356 8.959 910 3HZ LYS 113 HZ3 LYS 113 -5.866 19.405 10.356 911 H LYS 114 HN LYS 114 0.494 15.926 7.010 912 HA LYS 114 HA LYS 114 2.011 17.693 5.442 913 1HB LYS 114 HB2 LYS 114 2.521 16.208 7.639 914 2HB LYS 114 HB1 LYS 114 3.386 15.274 6.426 915 1HG LYS 114 HG2 LYS 114 3.775 18.229 6.610 916 2HG LYS 114 HG1 LYS 114 4.618 17.143 7.717 917 1HD LYS 114 HD2 LYS 114 5.539 15.927 5.781 918 2HD LYS 114 HD1 LYS 114 4.738 17.071 4.702 919 1HE LYS 114 HE2 LYS 114 6.245 18.704 5.101 920 2HE LYS 114 HE1 LYS 114 6.427 18.264 6.798 921 1HZ LYS 114 HZ1 LYS 114 8.467 17.763 5.818 922 2HZ LYS 114 HZ2 LYS 114 7.761 17.075 4.444 923 3HZ LYS 114 HZ3 LYS 114 7.693 16.262 5.926 924 H PHE 115 HN PHE 115 1.284 14.259 4.975 925 HA PHE 115 HA PHE 115 3.049 13.901 2.780 926 1HB PHE 115 HB2 PHE 115 0.682 12.368 3.817 927 2HB PHE 115 HB1 PHE 115 1.507 11.886 2.339 928 HD1 PHE 115 HD1 PHE 115 3.127 10.293 2.520 929 HD2 PHE 115 HD2 PHE 115 2.354 12.810 5.859 930 HE1 PHE 115 HE1 PHE 115 4.747 9.015 3.851 931 HE2 PHE 115 HE2 PHE 115 3.978 11.538 7.199 932 HZ PHE 115 HZ PHE 115 5.170 9.631 6.194 933 H LEU 116 HN LEU 116 -0.458 14.476 2.955 934 HA LEU 116 HA LEU 116 -0.693 14.606 0.083 935 1HB LEU 116 HB2 LEU 116 -2.633 15.104 2.334 936 2HB LEU 116 HB1 LEU 116 -3.061 15.320 0.648 937 HG LEU 116 HG LEU 116 -2.042 12.703 1.747 938 1HD1 LEU 116 HD11 LEU 116 -4.158 11.998 2.238 939 2HD1 LEU 116 HD12 LEU 116 -4.920 13.171 1.164 940 3HD1 LEU 116 HD13 LEU 116 -4.264 13.692 2.717 941 1HD2 LEU 116 HD21 LEU 116 -3.788 13.010 -0.645 942 2HD2 LEU 116 HD22 LEU 116 -2.569 11.787 -0.284 943 3HD2 LEU 116 HD23 LEU 116 -2.074 13.402 -0.788 944 H ALA 117 HN ALA 117 -1.134 16.411 -1.161 945 HA ALA 117 HA ALA 117 -0.580 19.003 0.129 946 1HB ALA 117 HB1 ALA 117 -0.067 19.096 -2.679 947 2HB ALA 117 HB2 ALA 117 0.785 17.719 -1.983 948 3HB ALA 117 HB3 ALA 117 1.055 19.338 -1.340 949 HA PRO 118 HA PRO 118 -4.383 20.785 -1.199 950 1HB PRO 118 HB2 PRO 118 -3.447 22.875 -2.835 951 2HB PRO 118 HB1 PRO 118 -3.792 22.969 -1.106 952 1HG PRO 118 HG2 PRO 118 -1.191 22.588 -2.505 953 2HG PRO 118 HG1 PRO 118 -1.545 23.453 -0.998 954 1HD PRO 118 HD2 PRO 118 -0.364 21.052 -0.977 955 2HD PRO 118 HD1 PRO 118 -1.556 21.500 0.263 956 H LYS 119 HN LYS 119 -5.157 19.137 -2.502 957 HA LYS 119 HA LYS 119 -4.320 18.399 -5.022 958 1HB LYS 119 HB2 LYS 119 -6.094 17.321 -3.520 959 2HB LYS 119 HB1 LYS 119 -7.228 18.457 -4.237 960 1HG LYS 119 HG2 LYS 119 -6.516 17.544 -6.486 961 2HG LYS 119 HG1 LYS 119 -5.699 16.259 -5.594 962 1HD LYS 119 HD2 LYS 119 -8.028 16.017 -4.416 963 2HD LYS 119 HD1 LYS 119 -8.618 16.827 -5.870 964 1HE LYS 119 HE2 LYS 119 -7.860 15.097 -7.270 965 2HE LYS 119 HE1 LYS 119 -6.833 14.416 -6.009 966 1HZ LYS 119 HZ1 LYS 119 -8.835 13.100 -6.351 967 2HZ LYS 119 HZ2 LYS 119 -9.803 14.438 -5.982 968 3HZ LYS 119 HZ3 LYS 119 -8.808 13.761 -4.793 969 H ASP 120 HN ASP 120 -7.055 20.586 -4.322 970 HA ASP 120 HA ASP 120 -7.274 21.446 -7.031 971 1HB ASP 120 HB2 ASP 120 -8.557 22.160 -4.444 972 2HB ASP 120 HB1 ASP 120 -8.641 23.350 -5.740 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -11.415 -9.735 -15.850 2 2H GLY 1 HT2 GLY 1 -11.464 -9.015 -14.320 3 3H GLY 1 HT3 GLY 1 -11.721 -10.679 -14.480 4 1HA GLY 1 HA1 GLY 1 -9.302 -10.356 -15.649 5 2HA GLY 1 HA2 GLY 1 -9.256 -9.205 -14.323 6 HA PRO 2 HA PRO 2 -10.084 -13.692 -12.423 7 1HB PRO 2 HB2 PRO 2 -8.763 -15.209 -14.614 8 2HB PRO 2 HB1 PRO 2 -10.159 -15.647 -13.624 9 1HG PRO 2 HG2 PRO 2 -10.477 -14.875 -16.152 10 2HG PRO 2 HG1 PRO 2 -11.627 -14.377 -14.896 11 1HD PRO 2 HD2 PRO 2 -9.443 -12.809 -16.201 12 2HD PRO 2 HD1 PRO 2 -11.062 -12.284 -15.692 13 H VAL 3 HN VAL 3 -8.513 -14.897 -11.245 14 HA VAL 3 HA VAL 3 -6.524 -15.146 -10.169 15 HB VAL 3 HB VAL 3 -5.209 -14.660 -12.839 16 1HG1 VAL 3 HG11 VAL 3 -3.713 -14.801 -10.911 17 2HG1 VAL 3 HG12 VAL 3 -3.512 -16.189 -11.980 18 3HG1 VAL 3 HG13 VAL 3 -4.417 -16.358 -10.475 19 1HG2 VAL 3 HG21 VAL 3 -6.872 -16.256 -13.335 20 2HG2 VAL 3 HG22 VAL 3 -6.623 -17.106 -11.810 21 3HG2 VAL 3 HG23 VAL 3 -5.394 -17.183 -13.072 22 H ASN 4 HN ASN 4 -6.825 -13.177 -9.004 23 HA ASN 4 HA ASN 4 -5.080 -10.984 -9.914 24 1HB ASN 4 HB2 ASN 4 -7.691 -10.686 -9.565 25 2HB ASN 4 HB1 ASN 4 -7.214 -10.516 -7.877 26 1HD2 ASN 4 HD21 ASN 4 -6.256 -8.673 -7.206 27 2HD2 ASN 4 HD22 ASN 4 -5.964 -7.307 -8.222 28 HA PRO 5 HA PRO 5 -2.427 -11.744 -6.454 29 1HB PRO 5 HB2 PRO 5 -2.207 -8.786 -6.268 30 2HB PRO 5 HB1 PRO 5 -0.936 -10.001 -6.436 31 1HG PRO 5 HG2 PRO 5 -1.633 -8.470 -8.501 32 2HG PRO 5 HG1 PRO 5 -1.227 -10.184 -8.730 33 1HD PRO 5 HD2 PRO 5 -3.908 -8.859 -8.675 34 2HD PRO 5 HD1 PRO 5 -3.325 -10.184 -9.704 35 H ALA 6 HN ALA 6 -4.790 -9.110 -6.151 36 HA ALA 6 HA ALA 6 -4.760 -9.075 -3.304 37 1HB ALA 6 HB1 ALA 6 -7.134 -7.942 -3.900 38 2HB ALA 6 HB2 ALA 6 -6.301 -7.764 -5.443 39 3HB ALA 6 HB3 ALA 6 -5.592 -7.089 -3.976 40 H GLU 7 HN GLU 7 -6.549 -10.872 -5.706 41 HA GLU 7 HA GLU 7 -8.593 -11.798 -3.941 42 1HB GLU 7 HB2 GLU 7 -7.642 -12.709 -6.653 43 2HB GLU 7 HB1 GLU 7 -8.943 -13.520 -5.792 44 1HG GLU 7 HG2 GLU 7 -10.123 -11.306 -5.700 45 2HG GLU 7 HG1 GLU 7 -8.888 -10.690 -6.797 46 H ASN 8 HN ASN 8 -5.703 -13.349 -5.335 47 HA ASN 8 HA ASN 8 -5.921 -15.796 -4.025 48 1HB ASN 8 HB2 ASN 8 -4.174 -14.733 -5.822 49 2HB ASN 8 HB1 ASN 8 -3.172 -14.782 -4.374 50 1HD2 ASN 8 HD21 ASN 8 -2.926 -16.827 -3.296 51 2HD2 ASN 8 HD22 ASN 8 -3.018 -18.292 -4.207 52 H PHE 9 HN PHE 9 -4.767 -12.713 -2.889 53 HA PHE 9 HA PHE 9 -3.525 -13.759 -0.516 54 1HB PHE 9 HB2 PHE 9 -2.633 -11.716 -1.356 55 2HB PHE 9 HB1 PHE 9 -4.227 -10.972 -1.438 56 HD1 PHE 9 HD1 PHE 9 -1.700 -12.279 0.943 57 HD2 PHE 9 HD2 PHE 9 -5.040 -9.712 0.342 58 HE1 PHE 9 HE1 PHE 9 -1.359 -11.317 3.182 59 HE2 PHE 9 HE2 PHE 9 -4.705 -8.744 2.579 60 HZ PHE 9 HZ PHE 9 -2.862 -9.546 4.001 61 H ARG 10 HN ARG 10 -6.528 -12.023 -1.260 62 HA ARG 10 HA ARG 10 -7.544 -11.837 1.326 63 1HB ARG 10 HB2 ARG 10 -8.752 -11.840 -1.404 64 2HB ARG 10 HB1 ARG 10 -9.822 -11.971 -0.015 65 1HG ARG 10 HG2 ARG 10 -8.996 -9.884 0.872 66 2HG ARG 10 HG1 ARG 10 -7.815 -9.767 -0.434 67 1HD ARG 10 HD2 ARG 10 -10.792 -9.883 -0.882 68 2HD ARG 10 HD1 ARG 10 -9.889 -8.375 -0.724 69 HE ARG 10 HE ARG 10 -9.069 -10.290 -2.780 70 1HH1 ARG 10 HH11 ARG 10 -10.538 -7.247 -1.926 71 2HH1 ARG 10 HH12 ARG 10 -10.447 -6.606 -3.532 72 1HH2 ARG 10 HH21 ARG 10 -8.945 -9.453 -4.897 73 2HH2 ARG 10 HH22 ARG 10 -9.541 -7.860 -5.221 74 H VAL 11 HN VAL 11 -7.620 -14.505 -0.968 75 HA VAL 11 HA VAL 11 -9.450 -16.058 0.631 76 HB VAL 11 HB VAL 11 -8.895 -17.915 -0.941 77 1HG1 VAL 11 HG11 VAL 11 -10.748 -16.342 -1.345 78 2HG1 VAL 11 HG12 VAL 11 -10.045 -16.959 -2.839 79 3HG1 VAL 11 HG13 VAL 11 -9.657 -15.328 -2.289 80 1HG2 VAL 11 HG21 VAL 11 -6.716 -17.575 -1.656 81 2HG2 VAL 11 HG22 VAL 11 -6.983 -15.861 -1.978 82 3HG2 VAL 11 HG23 VAL 11 -7.664 -17.077 -3.057 83 H LEU 12 HN LEU 12 -5.964 -16.095 -0.026 84 HA LEU 12 HA LEU 12 -5.299 -18.369 1.440 85 1HB LEU 12 HB2 LEU 12 -3.922 -16.349 0.071 86 2HB LEU 12 HB1 LEU 12 -3.281 -16.317 1.705 87 HG LEU 12 HG LEU 12 -3.493 -18.995 0.482 88 1HD1 LEU 12 HD11 LEU 12 -2.774 -17.796 -1.468 89 2HD1 LEU 12 HD12 LEU 12 -1.394 -18.663 -0.795 90 3HD1 LEU 12 HD13 LEU 12 -1.555 -16.926 -0.537 91 1HD2 LEU 12 HD21 LEU 12 -1.209 -17.618 1.879 92 2HD2 LEU 12 HD22 LEU 12 -1.435 -19.348 1.632 93 3HD2 LEU 12 HD23 LEU 12 -2.506 -18.466 2.720 94 H VAL 13 HN VAL 13 -5.926 -15.083 2.493 95 HA VAL 13 HA VAL 13 -5.078 -15.656 5.210 96 HB VAL 13 HB VAL 13 -5.696 -13.351 5.712 97 1HG1 VAL 13 HG11 VAL 13 -4.160 -12.207 4.105 98 2HG1 VAL 13 HG12 VAL 13 -4.097 -13.710 3.184 99 3HG1 VAL 13 HG13 VAL 13 -3.495 -13.666 4.841 100 1HG2 VAL 13 HG21 VAL 13 -7.625 -12.922 4.463 101 2HG2 VAL 13 HG22 VAL 13 -6.871 -13.430 2.953 102 3HG2 VAL 13 HG23 VAL 13 -6.395 -11.909 3.707 103 H LYS 14 HN LYS 14 -7.754 -16.368 3.447 104 HA LYS 14 HA LYS 14 -9.448 -16.381 5.854 105 1HB LYS 14 HB2 LYS 14 -9.919 -14.846 3.588 106 2HB LYS 14 HB1 LYS 14 -10.972 -16.238 3.379 107 1HG LYS 14 HG2 LYS 14 -11.604 -15.720 5.877 108 2HG LYS 14 HG1 LYS 14 -11.023 -14.110 5.452 109 1HD LYS 14 HD2 LYS 14 -12.579 -14.060 3.555 110 2HD LYS 14 HD1 LYS 14 -13.167 -15.662 4.003 111 1HE LYS 14 HE2 LYS 14 -14.093 -14.855 6.029 112 2HE LYS 14 HE1 LYS 14 -13.253 -13.313 5.878 113 1HZ LYS 14 HZ1 LYS 14 -14.610 -12.843 3.907 114 2HZ LYS 14 HZ2 LYS 14 -15.558 -13.058 5.290 115 3HZ LYS 14 HZ3 LYS 14 -15.453 -14.292 4.140 116 H GLN 15 HN GLN 15 -7.811 -18.535 4.973 117 HA GLN 15 HA GLN 15 -9.863 -20.444 4.051 118 1HB GLN 15 HB2 GLN 15 -7.604 -21.821 3.601 119 2HB GLN 15 HB1 GLN 15 -8.345 -20.769 2.397 120 1HG GLN 15 HG2 GLN 15 -6.640 -19.331 2.438 121 2HG GLN 15 HG1 GLN 15 -6.495 -19.398 4.193 122 1HE2 GLN 15 HE21 GLN 15 -5.966 -21.488 1.372 123 2HE2 GLN 15 HE22 GLN 15 -4.463 -22.139 1.922 124 H LYS 16 HN LYS 16 -7.003 -20.113 6.148 125 HA LYS 16 HA LYS 16 -8.207 -21.457 8.310 126 1HB LYS 16 HB2 LYS 16 -7.993 -23.529 7.283 127 2HB LYS 16 HB1 LYS 16 -6.514 -23.078 6.447 128 1HG LYS 16 HG2 LYS 16 -5.220 -23.818 8.100 129 2HG LYS 16 HG1 LYS 16 -6.243 -23.109 9.351 130 1HD LYS 16 HD2 LYS 16 -7.566 -25.325 8.053 131 2HD LYS 16 HD1 LYS 16 -5.999 -25.813 8.704 132 1HE LYS 16 HE2 LYS 16 -6.671 -24.740 10.868 133 2HE LYS 16 HE1 LYS 16 -8.282 -24.523 10.187 134 1HZ LYS 16 HZ1 LYS 16 -7.810 -26.589 11.608 135 2HZ LYS 16 HZ2 LYS 16 -7.026 -27.190 10.235 136 3HZ LYS 16 HZ3 LYS 16 -8.667 -26.789 10.164 137 H LYS 17 HN LYS 17 -5.213 -20.610 6.646 138 HA LYS 17 HA LYS 17 -4.193 -19.574 9.181 139 1HB LYS 17 HB2 LYS 17 -2.557 -21.069 7.125 140 2HB LYS 17 HB1 LYS 17 -1.931 -20.329 8.592 141 1HG LYS 17 HG2 LYS 17 -2.493 -22.081 9.839 142 2HG LYS 17 HG1 LYS 17 -4.103 -22.181 9.123 143 1HD LYS 17 HD2 LYS 17 -3.377 -23.555 7.386 144 2HD LYS 17 HD1 LYS 17 -1.687 -23.094 7.602 145 1HE LYS 17 HE2 LYS 17 -1.904 -24.210 9.911 146 2HE LYS 17 HE1 LYS 17 -3.362 -24.954 9.256 147 1HZ LYS 17 HZ1 LYS 17 -1.972 -25.818 7.419 148 2HZ LYS 17 HZ2 LYS 17 -1.534 -26.432 8.933 149 3HZ LYS 17 HZ3 LYS 17 -0.598 -25.224 8.208 150 H ALA 18 HN ALA 18 -1.735 -18.674 7.991 151 HA ALA 18 HA ALA 18 -0.813 -17.101 6.601 152 1HB ALA 18 HB1 ALA 18 -3.287 -16.103 5.382 153 2HB ALA 18 HB2 ALA 18 -2.937 -17.801 5.057 154 3HB ALA 18 HB3 ALA 18 -1.755 -16.564 4.638 155 H SER 19 HN SER 19 -4.069 -16.215 7.720 156 HA SER 19 HA SER 19 -4.870 -14.379 8.805 157 1HB SER 19 HB2 SER 19 -2.211 -14.658 10.221 158 2HB SER 19 HB1 SER 19 -3.596 -13.741 10.821 159 HG SER 19 HG SER 19 -4.777 -15.746 10.760 160 H PHE 20 HN PHE 20 -1.476 -13.416 9.018 161 HA PHE 20 HA PHE 20 -1.620 -11.424 7.000 162 1HB PHE 20 HB2 PHE 20 -2.897 -10.672 9.331 163 2HB PHE 20 HB1 PHE 20 -1.295 -9.967 9.516 164 HD1 PHE 20 HD1 PHE 20 -3.959 -10.295 6.918 165 HD2 PHE 20 HD2 PHE 20 -0.969 -7.852 8.705 166 HE1 PHE 20 HE1 PHE 20 -4.620 -8.429 5.461 167 HE2 PHE 20 HE2 PHE 20 -1.624 -5.980 7.250 168 HZ PHE 20 HZ PHE 20 -3.453 -6.267 5.626 169 H GLU 21 HN GLU 21 0.167 -13.527 7.996 170 HA GLU 21 HA GLU 21 2.542 -11.898 8.612 171 1HB GLU 21 HB2 GLU 21 1.555 -14.015 10.047 172 2HB GLU 21 HB1 GLU 21 2.762 -14.795 9.036 173 1HG GLU 21 HG2 GLU 21 4.485 -13.369 9.877 174 2HG GLU 21 HG1 GLU 21 3.309 -12.386 10.751 175 H GLU 22 HN GLU 22 2.209 -15.205 7.368 176 HA GLU 22 HA GLU 22 4.347 -14.935 5.549 177 1HB GLU 22 HB2 GLU 22 2.231 -16.968 6.058 178 2HB GLU 22 HB1 GLU 22 3.093 -17.053 4.529 179 1HG GLU 22 HG2 GLU 22 5.221 -16.942 5.975 180 2HG GLU 22 HG1 GLU 22 4.149 -17.378 7.306 181 H ALA 23 HN ALA 23 0.842 -14.732 5.146 182 HA ALA 23 HA ALA 23 0.879 -14.447 2.326 183 1HB ALA 23 HB1 ALA 23 -1.258 -13.461 4.204 184 2HB ALA 23 HB2 ALA 23 -1.095 -15.142 3.696 185 3HB ALA 23 HB3 ALA 23 -1.433 -13.889 2.502 186 H SER 24 HN SER 24 1.273 -12.210 4.978 187 HA SER 24 HA SER 24 0.769 -9.833 3.495 188 1HB SER 24 HB2 SER 24 2.020 -10.462 6.149 189 2HB SER 24 HB1 SER 24 2.189 -8.843 5.470 190 HG SER 24 HG SER 24 -0.248 -10.211 5.973 191 H ASN 25 HN ASN 25 3.797 -11.283 4.698 192 HA ASN 25 HA ASN 25 5.578 -9.595 3.419 193 1HB ASN 25 HB2 ASN 25 5.742 -12.441 4.344 194 2HB ASN 25 HB1 ASN 25 7.077 -11.753 3.423 195 1HD2 ASN 25 HD21 ASN 25 5.443 -11.858 6.431 196 2HD2 ASN 25 HD22 ASN 25 6.507 -10.811 7.300 197 H GLN 26 HN GLN 26 4.059 -12.569 2.228 198 HA GLN 26 HA GLN 26 5.400 -12.740 -0.222 199 1HB GLN 26 HB2 GLN 26 2.835 -13.773 0.869 200 2HB GLN 26 HB1 GLN 26 3.019 -13.790 -0.879 201 1HG GLN 26 HG2 GLN 26 5.204 -15.000 -0.509 202 2HG GLN 26 HG1 GLN 26 4.708 -15.185 1.174 203 1HE2 GLN 26 HE21 GLN 26 3.501 -16.876 1.686 204 2HE2 GLN 26 HE22 GLN 26 2.688 -17.910 0.566 205 H LEU 27 HN LEU 27 2.347 -11.131 0.613 206 HA LEU 27 HA LEU 27 1.692 -10.167 -1.912 207 1HB LEU 27 HB2 LEU 27 0.472 -10.074 0.448 208 2HB LEU 27 HB1 LEU 27 1.155 -8.458 0.469 209 HG LEU 27 HG LEU 27 -1.178 -8.523 -0.352 210 1HD1 LEU 27 HD11 LEU 27 0.639 -7.716 -2.599 211 2HD1 LEU 27 HD12 LEU 27 0.571 -6.823 -1.079 212 3HD1 LEU 27 HD13 LEU 27 -0.874 -6.973 -2.080 213 1HD2 LEU 27 HD21 LEU 27 -0.507 -10.789 -1.645 214 2HD2 LEU 27 HD22 LEU 27 -0.380 -9.626 -2.964 215 3HD2 LEU 27 HD23 LEU 27 -1.894 -9.787 -2.074 216 H ILE 28 HN ILE 28 3.625 -8.606 0.658 217 HA ILE 28 HA ILE 28 4.132 -6.235 -0.748 218 HB ILE 28 HB ILE 28 4.704 -7.129 1.770 219 1HG1 ILE 28 HG12 ILE 28 6.078 -4.905 1.862 220 2HG1 ILE 28 HG11 ILE 28 5.548 -4.726 0.190 221 1HG2 ILE 28 HG21 ILE 28 7.391 -6.708 0.485 222 2HG2 ILE 28 HG22 ILE 28 6.723 -8.303 0.836 223 3HG2 ILE 28 HG23 ILE 28 7.043 -7.171 2.150 224 1HD1 ILE 28 HD11 ILE 28 4.098 -4.298 2.653 225 2HD1 ILE 28 HD12 ILE 28 3.236 -5.376 1.554 226 3HD1 ILE 28 HD13 ILE 28 3.726 -3.771 1.012 227 H ASN 29 HN ASN 29 5.749 -9.360 -0.770 228 HA ASN 29 HA ASN 29 8.057 -8.575 -2.188 229 1HB ASN 29 HB2 ASN 29 7.237 -10.889 -1.002 230 2HB ASN 29 HB1 ASN 29 7.034 -11.297 -2.703 231 1HD2 ASN 29 HD21 ASN 29 8.787 -11.696 -3.931 232 2HD2 ASN 29 HD22 ASN 29 10.414 -11.656 -3.350 233 H HIS 30 HN HIS 30 4.924 -9.862 -3.224 234 HA HIS 30 HA HIS 30 5.439 -9.996 -5.969 235 1HB HIS 30 HB2 HIS 30 3.216 -10.382 -4.284 236 2HB HIS 30 HB1 HIS 30 2.717 -9.166 -5.458 237 HD1 HIS 30 HD1 HIS 30 4.701 -12.410 -5.771 238 HD2 HIS 30 HD2 HIS 30 1.478 -10.428 -7.490 239 HE1 HIS 30 HE1 HIS 30 3.906 -13.906 -7.629 240 HE2 HIS 30 HE2 HIS 30 2.013 -12.644 -8.712 241 H ILE 31 HN ILE 31 4.173 -7.370 -3.963 242 HA ILE 31 HA ILE 31 3.701 -5.489 -5.967 243 HB ILE 31 HB ILE 31 4.635 -5.013 -3.131 244 1HG1 ILE 31 HG12 ILE 31 1.855 -4.830 -4.313 245 2HG1 ILE 31 HG11 ILE 31 2.462 -6.233 -3.436 246 1HG2 ILE 31 HG21 ILE 31 3.617 -2.741 -3.473 247 2HG2 ILE 31 HG22 ILE 31 3.561 -3.105 -5.197 248 3HG2 ILE 31 HG23 ILE 31 5.112 -3.036 -4.361 249 1HD1 ILE 31 HD11 ILE 31 2.960 -4.406 -1.593 250 2HD1 ILE 31 HD12 ILE 31 1.377 -5.167 -1.753 251 3HD1 ILE 31 HD13 ILE 31 1.658 -3.564 -2.433 252 H GLU 32 HN GLU 32 6.629 -6.003 -4.009 253 HA GLU 32 HA GLU 32 8.247 -4.060 -5.134 254 1HB GLU 32 HB2 GLU 32 8.822 -6.729 -3.891 255 2HB GLU 32 HB1 GLU 32 10.132 -5.782 -4.583 256 1HG GLU 32 HG2 GLU 32 9.616 -3.938 -3.092 257 2HG GLU 32 HG1 GLU 32 8.256 -4.844 -2.422 258 H GLN 33 HN GLN 33 7.708 -7.395 -6.209 259 HA GLN 33 HA GLN 33 9.530 -7.420 -8.332 260 1HB GLN 33 HB2 GLN 33 7.066 -8.958 -7.648 261 2HB GLN 33 HB1 GLN 33 7.703 -9.102 -9.281 262 1HG GLN 33 HG2 GLN 33 9.845 -9.839 -8.397 263 2HG GLN 33 HG1 GLN 33 9.237 -9.660 -6.752 264 1HE2 GLN 33 HE21 GLN 33 7.864 -11.186 -5.914 265 2HE2 GLN 33 HE22 GLN 33 7.532 -12.689 -6.699 266 H PHE 34 HN PHE 34 6.092 -6.558 -8.256 267 HA PHE 34 HA PHE 34 5.723 -5.981 -10.939 268 1HB PHE 34 HB2 PHE 34 4.447 -4.984 -8.421 269 2HB PHE 34 HB1 PHE 34 4.034 -4.216 -9.951 270 HD1 PHE 34 HD1 PHE 34 2.990 -6.590 -7.711 271 HD2 PHE 34 HD2 PHE 34 3.605 -6.084 -11.891 272 HE1 PHE 34 HE1 PHE 34 1.364 -8.381 -8.163 273 HE2 PHE 34 HE2 PHE 34 1.980 -7.874 -12.351 274 HZ PHE 34 HZ PHE 34 0.858 -9.025 -10.485 275 H LEU 35 HN LEU 35 7.290 -4.081 -8.443 276 HA LEU 35 HA LEU 35 7.377 -1.651 -9.951 277 1HB LEU 35 HB2 LEU 35 8.693 -2.643 -7.448 278 2HB LEU 35 HB1 LEU 35 9.244 -1.154 -8.199 279 HG LEU 35 HG LEU 35 6.340 -1.513 -7.560 280 1HD1 LEU 35 HD11 LEU 35 8.539 -0.789 -5.640 281 2HD1 LEU 35 HD12 LEU 35 7.318 -2.050 -5.474 282 3HD1 LEU 35 HD13 LEU 35 6.850 -0.352 -5.381 283 1HD2 LEU 35 HD21 LEU 35 6.371 0.890 -7.434 284 2HD2 LEU 35 HD22 LEU 35 7.126 0.384 -8.946 285 3HD2 LEU 35 HD23 LEU 35 8.128 0.914 -7.595 286 H ASP 36 HN ASP 36 9.155 -4.548 -10.005 287 HA ASP 36 HA ASP 36 11.684 -3.572 -10.840 288 1HB ASP 36 HB2 ASP 36 11.115 -5.916 -9.975 289 2HB ASP 36 HB1 ASP 36 10.544 -6.257 -11.605 290 H THR 37 HN THR 37 8.734 -3.431 -12.339 291 HA THR 37 HA THR 37 9.984 -3.171 -14.988 292 HB THR 37 HB THR 37 7.141 -3.760 -15.124 293 HG1 THR 37 HG1 THR 37 7.332 -5.154 -13.452 294 1HG2 THR 37 HG21 THR 37 9.344 -5.460 -16.234 295 2HG2 THR 37 HG22 THR 37 9.042 -3.853 -16.896 296 3HG2 THR 37 HG23 THR 37 7.771 -5.075 -16.932 297 H ASN 38 HN ASN 38 9.991 -1.107 -15.508 298 HA ASN 38 HA ASN 38 8.175 0.786 -14.334 299 1HB ASN 38 HB2 ASN 38 10.638 1.179 -14.951 300 2HB ASN 38 HB1 ASN 38 10.064 1.363 -16.608 301 1HD2 ASN 38 HD21 ASN 38 9.327 3.278 -17.230 302 2HD2 ASN 38 HD22 ASN 38 9.008 4.616 -16.184 303 H GLU 39 HN GLU 39 6.374 -0.651 -15.381 304 HA GLU 39 HA GLU 39 5.680 0.546 -17.983 305 1HB GLU 39 HB2 GLU 39 5.250 -2.219 -16.905 306 2HB GLU 39 HB1 GLU 39 4.152 -1.569 -18.114 307 1HG GLU 39 HG2 GLU 39 7.125 -1.628 -18.510 308 2HG GLU 39 HG1 GLU 39 6.082 -2.981 -18.945 309 H THR 40 HN THR 40 3.615 1.335 -18.267 310 HA THR 40 HA THR 40 2.313 2.408 -16.043 311 HB THR 40 HB THR 40 0.903 1.927 -18.657 312 HG1 THR 40 HG1 THR 40 2.804 3.972 -18.068 313 1HG2 THR 40 HG21 THR 40 -0.362 2.943 -16.797 314 2HG2 THR 40 HG22 THR 40 -0.158 4.053 -18.152 315 3HG2 THR 40 HG23 THR 40 0.838 4.233 -16.708 316 HA PRO 41 HA PRO 41 -1.044 -1.099 -16.618 317 1HB PRO 41 HB2 PRO 41 0.585 -3.268 -17.791 318 2HB PRO 41 HB1 PRO 41 -1.052 -2.741 -18.201 319 1HG PRO 41 HG2 PRO 41 1.014 -2.243 -19.826 320 2HG PRO 41 HG1 PRO 41 -0.304 -1.073 -19.618 321 1HD PRO 41 HD2 PRO 41 2.442 -1.069 -18.422 322 2HD PRO 41 HD1 PRO 41 1.497 0.282 -19.081 323 H TYR 42 HN TYR 42 2.251 -1.402 -15.721 324 HA TYR 42 HA TYR 42 1.811 -3.629 -13.916 325 1HB TYR 42 HB2 TYR 42 4.167 -2.066 -14.839 326 2HB TYR 42 HB1 TYR 42 4.274 -2.821 -13.252 327 HD1 TYR 42 HD1 TYR 42 3.381 -3.632 -16.785 328 HD2 TYR 42 HD2 TYR 42 4.983 -5.024 -13.098 329 HE1 TYR 42 HE1 TYR 42 3.958 -5.772 -17.851 330 HE2 TYR 42 HE2 TYR 42 5.565 -7.168 -14.153 331 HH TYR 42 HH TYR 42 5.713 -7.640 -17.398 332 H PHE 43 HN PHE 43 2.200 -0.139 -13.768 333 HA PHE 43 HA PHE 43 2.440 0.038 -10.946 334 1HB PHE 43 HB2 PHE 43 1.735 2.008 -13.106 335 2HB PHE 43 HB1 PHE 43 1.636 2.461 -11.406 336 HD1 PHE 43 HD1 PHE 43 3.671 2.546 -14.196 337 HD2 PHE 43 HD2 PHE 43 3.826 1.728 -10.023 338 HE1 PHE 43 HE1 PHE 43 6.082 3.040 -14.193 339 HE2 PHE 43 HE2 PHE 43 6.237 2.220 -10.012 340 HZ PHE 43 HZ PHE 43 7.368 2.876 -12.099 341 H MET 44 HN MET 44 -0.242 -0.318 -13.106 342 HA MET 44 HA MET 44 -2.287 0.620 -11.382 343 1HB MET 44 HB2 MET 44 -2.369 -1.339 -13.683 344 2HB MET 44 HB1 MET 44 -3.798 -0.723 -12.866 345 1HG MET 44 HG2 MET 44 -3.183 1.554 -13.527 346 2HG MET 44 HG1 MET 44 -1.775 0.916 -14.372 347 1HE MET 44 HE1 MET 44 -2.776 2.364 -16.507 348 2HE MET 44 HE2 MET 44 -4.187 2.790 -15.538 349 3HE MET 44 HE3 MET 44 -4.398 2.092 -17.145 350 H LYS 45 HN LYS 45 -0.644 -2.441 -11.768 351 HA LYS 45 HA LYS 45 -2.445 -3.940 -10.125 352 1HB LYS 45 HB2 LYS 45 -0.534 -4.635 -11.918 353 2HB LYS 45 HB1 LYS 45 0.343 -4.887 -10.412 354 1HG LYS 45 HG2 LYS 45 -0.744 -6.775 -10.002 355 2HG LYS 45 HG1 LYS 45 -2.312 -6.016 -10.281 356 1HD LYS 45 HD2 LYS 45 -1.652 -6.199 -12.792 357 2HD LYS 45 HD1 LYS 45 -0.511 -7.416 -12.217 358 1HE LYS 45 HE2 LYS 45 -2.636 -8.340 -10.972 359 2HE LYS 45 HE1 LYS 45 -3.491 -7.456 -12.236 360 1HZ LYS 45 HZ1 LYS 45 -2.264 -8.702 -13.897 361 2HZ LYS 45 HZ2 LYS 45 -3.090 -9.757 -12.863 362 3HZ LYS 45 HZ3 LYS 45 -1.422 -9.538 -12.691 363 H SER 46 HN SER 46 0.400 -1.995 -9.591 364 HA SER 46 HA SER 46 1.053 -2.978 -7.013 365 1HB SER 46 HB2 SER 46 1.664 -0.145 -7.547 366 2HB SER 46 HB1 SER 46 2.740 -1.465 -7.085 367 HG SER 46 HG SER 46 2.956 -2.038 -9.177 368 H ILE 47 HN ILE 47 -0.721 -0.073 -8.081 369 HA ILE 47 HA ILE 47 -1.477 0.832 -5.552 370 HB ILE 47 HB ILE 47 -3.070 1.096 -8.109 371 1HG1 ILE 47 HG12 ILE 47 -1.045 3.024 -6.959 372 2HG1 ILE 47 HG11 ILE 47 -0.674 1.870 -8.237 373 1HG2 ILE 47 HG21 ILE 47 -3.970 3.128 -7.045 374 2HG2 ILE 47 HG22 ILE 47 -3.096 2.720 -5.568 375 3HG2 ILE 47 HG23 ILE 47 -4.380 1.662 -6.155 376 1HD1 ILE 47 HD11 ILE 47 -2.405 2.926 -9.640 377 2HD1 ILE 47 HD12 ILE 47 -1.105 4.028 -9.192 378 3HD1 ILE 47 HD13 ILE 47 -2.663 4.124 -8.371 379 H ASP 48 HN ASP 48 -3.030 -1.453 -7.759 380 HA ASP 48 HA ASP 48 -5.390 -1.854 -6.284 381 1HB ASP 48 HB2 ASP 48 -3.964 -3.250 -8.463 382 2HB ASP 48 HB1 ASP 48 -5.026 -4.268 -7.489 383 H CYS 49 HN CYS 49 -2.158 -2.964 -5.850 384 HA CYS 49 HA CYS 49 -2.856 -5.107 -4.043 385 1HB CYS 49 HB2 CYS 49 -0.323 -3.965 -5.130 386 2HB CYS 49 HB1 CYS 49 -0.241 -4.863 -3.616 387 HG CYS 49 HG CYS 49 0.463 -6.426 -5.934 388 H ILE 50 HN ILE 50 -1.554 -1.810 -3.822 389 HA ILE 50 HA ILE 50 -1.221 -1.852 -1.004 390 HB ILE 50 HB ILE 50 -0.372 -0.180 -2.955 391 1HG1 ILE 50 HG12 ILE 50 -0.695 0.856 -0.143 392 2HG1 ILE 50 HG11 ILE 50 0.366 -0.507 -0.506 393 1HG2 ILE 50 HG21 ILE 50 -1.415 1.931 -2.889 394 2HG2 ILE 50 HG22 ILE 50 -2.424 1.477 -1.515 395 3HG2 ILE 50 HG23 ILE 50 -2.716 0.759 -3.100 396 1HD1 ILE 50 HD11 ILE 50 1.243 1.977 -0.444 397 2HD1 ILE 50 HD12 ILE 50 0.687 1.956 -2.118 398 3HD1 ILE 50 HD13 ILE 50 1.891 0.788 -1.574 399 H ARG 51 HN ARG 51 -3.907 -1.295 -3.113 400 HA ARG 51 HA ARG 51 -5.527 0.072 -1.167 401 1HB ARG 51 HB2 ARG 51 -6.076 -1.095 -3.888 402 2HB ARG 51 HB1 ARG 51 -7.362 -0.437 -2.887 403 1HG ARG 51 HG2 ARG 51 -5.603 1.602 -2.808 404 2HG ARG 51 HG1 ARG 51 -5.248 0.935 -4.401 405 1HD ARG 51 HD2 ARG 51 -7.022 2.744 -4.299 406 2HD ARG 51 HD1 ARG 51 -7.454 1.262 -5.148 407 HE ARG 51 HE ARG 51 -8.249 1.633 -2.345 408 1HH1 ARG 51 HH11 ARG 51 -9.081 1.212 -5.703 409 2HH1 ARG 51 HH12 ARG 51 -10.756 0.912 -5.383 410 1HH2 ARG 51 HH21 ARG 51 -10.454 1.238 -1.916 411 2HH2 ARG 51 HH22 ARG 51 -11.536 0.926 -3.232 412 H ALA 52 HN ALA 52 -4.979 -3.212 -2.169 413 HA ALA 52 HA ALA 52 -7.312 -4.255 -0.813 414 1HB ALA 52 HB1 ALA 52 -6.567 -5.412 -2.786 415 2HB ALA 52 HB2 ALA 52 -6.339 -6.469 -1.393 416 3HB ALA 52 HB3 ALA 52 -4.957 -5.632 -2.101 417 H PHE 53 HN PHE 53 -3.882 -3.881 -0.248 418 HA PHE 53 HA PHE 53 -3.845 -5.413 2.176 419 1HB PHE 53 HB2 PHE 53 -1.907 -4.761 0.488 420 2HB PHE 53 HB1 PHE 53 -1.750 -3.373 1.563 421 HD1 PHE 53 HD1 PHE 53 -0.801 -6.718 0.982 422 HD2 PHE 53 HD2 PHE 53 -1.553 -3.918 4.096 423 HE1 PHE 53 HE1 PHE 53 0.552 -8.075 2.524 424 HE2 PHE 53 HE2 PHE 53 -0.201 -5.269 5.643 425 HZ PHE 53 HZ PHE 53 0.855 -7.349 4.858 426 H ARG 54 HN ARG 54 -3.653 -1.933 1.420 427 HA ARG 54 HA ARG 54 -3.519 -0.918 3.978 428 1HB ARG 54 HB2 ARG 54 -3.424 0.344 1.769 429 2HB ARG 54 HB1 ARG 54 -5.181 0.348 1.806 430 1HG ARG 54 HG2 ARG 54 -4.078 1.286 4.305 431 2HG ARG 54 HG1 ARG 54 -3.479 2.223 2.933 432 1HD ARG 54 HD2 ARG 54 -5.651 2.832 2.263 433 2HD ARG 54 HD1 ARG 54 -6.398 1.601 3.283 434 HE ARG 54 HE ARG 54 -5.084 3.247 5.027 435 1HH1 ARG 54 HH11 ARG 54 -7.513 3.680 2.567 436 2HH1 ARG 54 HH12 ARG 54 -8.260 5.027 3.360 437 1HH2 ARG 54 HH21 ARG 54 -6.062 5.019 6.078 438 2HH2 ARG 54 HH22 ARG 54 -7.436 5.788 5.355 439 H GLU 55 HN GLU 55 -6.429 -1.790 2.149 440 HA GLU 55 HA GLU 55 -8.289 -0.927 4.080 441 1HB GLU 55 HB2 GLU 55 -8.379 -2.753 1.723 442 2HB GLU 55 HB1 GLU 55 -9.727 -2.774 2.851 443 1HG GLU 55 HG2 GLU 55 -10.005 -0.351 2.526 444 2HG GLU 55 HG1 GLU 55 -8.699 -0.383 1.342 445 H GLU 56 HN GLU 56 -7.063 -4.206 3.384 446 HA GLU 56 HA GLU 56 -8.450 -5.460 5.495 447 1HB GLU 56 HB2 GLU 56 -6.020 -6.243 3.896 448 2HB GLU 56 HB1 GLU 56 -6.685 -7.278 5.156 449 1HG GLU 56 HG2 GLU 56 -8.907 -6.744 3.704 450 2HG GLU 56 HG1 GLU 56 -7.669 -6.721 2.451 451 H ALA 57 HN ALA 57 -5.576 -3.560 5.455 452 HA ALA 57 HA ALA 57 -4.566 -4.632 7.953 453 1HB ALA 57 HB1 ALA 57 -2.814 -4.020 6.576 454 2HB ALA 57 HB2 ALA 57 -2.948 -2.625 7.646 455 3HB ALA 57 HB3 ALA 57 -3.626 -2.557 6.019 456 H ILE 58 HN ILE 58 -5.589 -1.397 6.839 457 HA ILE 58 HA ILE 58 -5.666 -0.199 9.355 458 HB ILE 58 HB ILE 58 -7.105 1.511 8.392 459 1HG1 ILE 58 HG12 ILE 58 -7.427 0.856 5.723 460 2HG1 ILE 58 HG11 ILE 58 -7.794 -0.655 6.551 461 1HG2 ILE 58 HG21 ILE 58 -4.852 0.503 6.689 462 2HG2 ILE 58 HG22 ILE 58 -4.852 1.826 7.856 463 3HG2 ILE 58 HG23 ILE 58 -5.698 2.006 6.319 464 1HD1 ILE 58 HD11 ILE 58 -9.833 0.495 6.288 465 2HD1 ILE 58 HD12 ILE 58 -9.142 2.006 6.877 466 3HD1 ILE 58 HD13 ILE 58 -9.389 0.658 7.986 467 H LYS 59 HN LYS 59 -8.156 -1.990 7.599 468 HA LYS 59 HA LYS 59 -10.340 -1.524 9.207 469 1HB LYS 59 HB2 LYS 59 -9.476 -3.808 7.502 470 2HB LYS 59 HB1 LYS 59 -10.830 -4.068 8.591 471 1HG LYS 59 HG2 LYS 59 -11.892 -2.019 7.583 472 2HG LYS 59 HG1 LYS 59 -10.620 -2.073 6.358 473 1HD LYS 59 HD2 LYS 59 -11.365 -4.136 5.519 474 2HD LYS 59 HD1 LYS 59 -12.347 -4.459 6.948 475 1HE LYS 59 HE2 LYS 59 -13.908 -2.745 6.338 476 2HE LYS 59 HE1 LYS 59 -12.873 -2.208 5.014 477 1HZ LYS 59 HZ1 LYS 59 -13.189 -4.451 4.020 478 2HZ LYS 59 HZ2 LYS 59 -14.604 -3.527 4.101 479 3HZ LYS 59 HZ3 LYS 59 -14.346 -4.775 5.213 480 H PHE 60 HN PHE 60 -7.973 -4.199 9.576 481 HA PHE 60 HA PHE 60 -7.787 -3.981 12.345 482 1HB PHE 60 HB2 PHE 60 -9.081 -5.970 13.091 483 2HB PHE 60 HB1 PHE 60 -10.100 -4.662 12.505 484 HD1 PHE 60 HD1 PHE 60 -9.287 -8.118 12.235 485 HD2 PHE 60 HD2 PHE 60 -11.003 -4.850 10.123 486 HE1 PHE 60 HE1 PHE 60 -10.417 -9.695 10.722 487 HE2 PHE 60 HE2 PHE 60 -12.133 -6.419 8.602 488 HZ PHE 60 HZ PHE 60 -11.841 -8.846 8.902 489 H SER 61 HN SER 61 -5.642 -4.302 11.710 490 HA SER 61 HA SER 61 -4.773 -6.996 11.871 491 1HB SER 61 HB2 SER 61 -5.090 -5.821 9.207 492 2HB SER 61 HB1 SER 61 -3.478 -6.469 9.503 493 HG SER 61 HG SER 61 -5.460 -8.123 10.384 494 H GLU 62 HN GLU 62 -2.865 -4.932 9.869 495 HA GLU 62 HA GLU 62 -1.294 -4.093 12.209 496 1HB GLU 62 HB2 GLU 62 -0.273 -5.362 9.667 497 2HB GLU 62 HB1 GLU 62 0.765 -4.504 10.801 498 1HG GLU 62 HG2 GLU 62 0.050 -6.093 12.569 499 2HG GLU 62 HG1 GLU 62 -0.836 -6.996 11.336 500 H GLU 63 HN GLU 63 -2.817 -2.228 11.543 501 HA GLU 63 HA GLU 63 -2.430 -0.681 9.281 502 1HB GLU 63 HB2 GLU 63 -3.119 1.261 10.770 503 2HB GLU 63 HB1 GLU 63 -4.223 -0.105 10.705 504 1HG GLU 63 HG2 GLU 63 -2.208 -0.198 12.847 505 2HG GLU 63 HG1 GLU 63 -3.419 1.080 12.979 506 H GLN 64 HN GLN 64 -0.507 -0.807 12.231 507 HA GLN 64 HA GLN 64 1.075 1.486 11.755 508 1HB GLN 64 HB2 GLN 64 0.844 -0.393 13.779 509 2HB GLN 64 HB1 GLN 64 2.465 -0.667 13.154 510 1HG GLN 64 HG2 GLN 64 3.133 1.537 13.634 511 2HG GLN 64 HG1 GLN 64 1.473 2.063 13.903 512 1HE2 GLN 64 HE21 GLN 64 0.534 1.754 15.866 513 2HE2 GLN 64 HE22 GLN 64 1.374 1.136 17.244 514 H ARG 65 HN ARG 65 1.133 -1.698 10.428 515 HA ARG 65 HA ARG 65 3.851 -1.658 9.542 516 1HB ARG 65 HB2 ARG 65 2.776 -3.791 9.809 517 2HB ARG 65 HB1 ARG 65 1.466 -3.327 8.733 518 1HG ARG 65 HG2 ARG 65 2.957 -3.328 6.842 519 2HG ARG 65 HG1 ARG 65 4.337 -3.656 7.893 520 1HD ARG 65 HD2 ARG 65 2.531 -5.659 8.516 521 2HD ARG 65 HD1 ARG 65 2.378 -5.480 6.766 522 HE ARG 65 HE ARG 65 4.860 -5.782 6.714 523 1HH1 ARG 65 HH11 ARG 65 2.954 -7.044 9.345 524 2HH1 ARG 65 HH12 ARG 65 4.082 -8.301 9.728 525 1HH2 ARG 65 HH21 ARG 65 6.350 -7.433 7.213 526 2HH2 ARG 65 HH22 ARG 65 6.012 -8.522 8.517 527 H PHE 66 HN PHE 66 0.936 -0.236 8.482 528 HA PHE 66 HA PHE 66 1.843 0.080 5.736 529 1HB PHE 66 HB2 PHE 66 -0.695 -0.069 6.890 530 2HB PHE 66 HB1 PHE 66 -0.521 1.617 6.398 531 HD1 PHE 66 HD1 PHE 66 -0.782 2.234 4.161 532 HD2 PHE 66 HD2 PHE 66 -0.203 -1.862 5.159 533 HE1 PHE 66 HE1 PHE 66 -1.233 1.605 1.828 534 HE2 PHE 66 HE2 PHE 66 -0.659 -2.496 2.827 535 HZ PHE 66 HZ PHE 66 -1.173 -0.763 1.160 536 H ASN 67 HN ASN 67 1.030 2.139 8.539 537 HA ASN 67 HA ASN 67 1.836 4.558 7.328 538 1HB ASN 67 HB2 ASN 67 2.244 5.199 9.862 539 2HB ASN 67 HB1 ASN 67 0.613 4.985 9.245 540 1HD2 ASN 67 HD21 ASN 67 -0.632 3.423 10.077 541 2HD2 ASN 67 HD22 ASN 67 -0.136 2.351 11.335 542 H ASN 68 HN ASN 68 3.515 1.882 8.475 543 HA ASN 68 HA ASN 68 6.014 3.214 9.061 544 1HB ASN 68 HB2 ASN 68 5.431 1.073 10.150 545 2HB ASN 68 HB1 ASN 68 5.453 0.275 8.581 546 1HD2 ASN 68 HD21 ASN 68 7.274 1.269 11.252 547 2HD2 ASN 68 HD22 ASN 68 8.836 0.836 10.654 548 H PHE 69 HN PHE 69 4.977 0.915 6.551 549 HA PHE 69 HA PHE 69 7.182 1.346 4.856 550 1HB PHE 69 HB2 PHE 69 5.345 -0.540 4.899 551 2HB PHE 69 HB1 PHE 69 4.534 0.513 3.743 552 HD1 PHE 69 HD1 PHE 69 5.481 0.910 1.545 553 HD2 PHE 69 HD2 PHE 69 7.381 -1.688 4.329 554 HE1 PHE 69 HE1 PHE 69 6.867 -0.011 -0.267 555 HE2 PHE 69 HE2 PHE 69 8.771 -2.614 2.522 556 HZ PHE 69 HZ PHE 69 8.515 -1.775 0.220 557 H LEU 70 HN LEU 70 4.157 3.043 5.213 558 HA LEU 70 HA LEU 70 4.186 4.404 2.727 559 1HB LEU 70 HB2 LEU 70 2.733 4.704 5.301 560 2HB LEU 70 HB1 LEU 70 2.810 6.122 4.273 561 HG LEU 70 HG LEU 70 1.485 3.480 3.712 562 1HD1 LEU 70 HD11 LEU 70 -0.459 4.612 3.856 563 2HD1 LEU 70 HD12 LEU 70 0.205 6.067 3.113 564 3HD1 LEU 70 HD13 LEU 70 0.504 5.732 4.819 565 1HD2 LEU 70 HD21 LEU 70 0.989 4.417 1.438 566 2HD2 LEU 70 HD22 LEU 70 2.661 3.914 1.688 567 3HD2 LEU 70 HD23 LEU 70 2.238 5.625 1.737 568 H LYS 71 HN LYS 71 5.153 5.430 5.995 569 HA LYS 71 HA LYS 71 6.099 7.958 5.351 570 1HB LYS 71 HB2 LYS 71 6.556 6.028 7.551 571 2HB LYS 71 HB1 LYS 71 7.765 7.290 7.365 572 1HG LYS 71 HG2 LYS 71 5.992 8.986 7.513 573 2HG LYS 71 HG1 LYS 71 4.807 7.699 7.756 574 1HD LYS 71 HD2 LYS 71 6.163 6.982 9.755 575 2HD LYS 71 HD1 LYS 71 7.096 8.467 9.560 576 1HE LYS 71 HE2 LYS 71 4.231 8.943 9.526 577 2HE LYS 71 HE1 LYS 71 4.763 8.167 11.017 578 1HZ LYS 71 HZ1 LYS 71 4.966 10.437 11.421 579 2HZ LYS 71 HZ2 LYS 71 5.617 10.764 9.895 580 3HZ LYS 71 HZ3 LYS 71 6.548 9.959 11.055 581 H ALA 72 HN ALA 72 7.802 4.846 5.328 582 HA ALA 72 HA ALA 72 10.326 5.945 4.600 583 1HB ALA 72 HB1 ALA 72 9.311 3.123 4.278 584 2HB ALA 72 HB2 ALA 72 10.111 3.774 5.708 585 3HB ALA 72 HB3 ALA 72 10.995 3.639 4.188 586 H LEU 73 HN LEU 73 7.741 4.368 2.758 587 HA LEU 73 HA LEU 73 8.943 4.320 0.258 588 1HB LEU 73 HB2 LEU 73 6.883 3.156 0.642 589 2HB LEU 73 HB1 LEU 73 6.048 4.650 1.030 590 HG LEU 73 HG LEU 73 6.496 5.364 -1.372 591 1HD1 LEU 73 HD11 LEU 73 8.258 3.708 -1.827 592 2HD1 LEU 73 HD12 LEU 73 6.931 3.612 -2.985 593 3HD1 LEU 73 HD13 LEU 73 7.061 2.419 -1.691 594 1HD2 LEU 73 HD21 LEU 73 4.292 4.859 -0.984 595 2HD2 LEU 73 HD22 LEU 73 4.643 3.201 -0.497 596 3HD2 LEU 73 HD23 LEU 73 4.698 3.649 -2.202 597 H GLN 74 HN GLN 74 6.823 6.833 1.616 598 HA GLN 74 HA GLN 74 6.852 8.608 -0.508 599 1HB GLN 74 HB2 GLN 74 5.348 9.027 1.274 600 2HB GLN 74 HB1 GLN 74 6.642 9.055 2.463 601 1HG GLN 74 HG2 GLN 74 6.199 11.281 2.275 602 2HG GLN 74 HG1 GLN 74 7.468 11.111 1.063 603 1HE2 GLN 74 HE21 GLN 74 6.471 10.366 -1.146 604 2HE2 GLN 74 HE22 GLN 74 5.140 11.327 -1.683 605 H GLU 75 HN GLU 75 9.004 8.625 2.335 606 HA GLU 75 HA GLU 75 10.631 10.746 1.512 607 1HB GLU 75 HB2 GLU 75 10.842 8.541 3.472 608 2HB GLU 75 HB1 GLU 75 12.361 9.271 2.973 609 1HG GLU 75 HG2 GLU 75 11.497 11.474 3.617 610 2HG GLU 75 HG1 GLU 75 10.000 10.715 4.156 611 H LYS 76 HN LYS 76 10.952 7.271 0.942 612 HA LYS 76 HA LYS 76 13.463 7.324 -0.305 613 1HB LYS 76 HB2 LYS 76 11.185 5.416 -0.194 614 2HB LYS 76 HB1 LYS 76 12.371 5.182 -1.472 615 1HG LYS 76 HG2 LYS 76 14.131 5.268 0.363 616 2HG LYS 76 HG1 LYS 76 12.789 5.101 1.497 617 1HD LYS 76 HD2 LYS 76 12.109 3.031 0.305 618 2HD LYS 76 HD1 LYS 76 13.550 3.181 -0.702 619 1HE LYS 76 HE2 LYS 76 13.881 3.229 2.253 620 2HE LYS 76 HE1 LYS 76 13.524 1.685 1.480 621 1HZ LYS 76 HZ1 LYS 76 15.793 3.478 0.797 622 2HZ LYS 76 HZ2 LYS 76 15.451 1.997 0.054 623 3HZ LYS 76 HZ3 LYS 76 15.902 2.040 1.683 624 H VAL 77 HN VAL 77 10.235 7.108 -1.832 625 HA VAL 77 HA VAL 77 11.219 7.442 -4.457 626 HB VAL 77 HB VAL 77 9.049 7.433 -5.208 627 1HG1 VAL 77 HG11 VAL 77 9.632 5.702 -3.152 628 2HG1 VAL 77 HG12 VAL 77 8.293 5.554 -4.289 629 3HG1 VAL 77 HG13 VAL 77 8.038 6.323 -2.724 630 1HG2 VAL 77 HG21 VAL 77 8.446 9.051 -2.787 631 2HG2 VAL 77 HG22 VAL 77 7.142 8.135 -3.542 632 3HG2 VAL 77 HG23 VAL 77 8.028 9.340 -4.476 633 H GLU 78 HN GLU 78 10.733 9.657 -1.920 634 HA GLU 78 HA GLU 78 10.274 11.988 -3.506 635 1HB GLU 78 HB2 GLU 78 10.649 11.356 -0.677 636 2HB GLU 78 HB1 GLU 78 11.407 12.872 -1.144 637 1HG GLU 78 HG2 GLU 78 8.672 12.495 -2.138 638 2HG GLU 78 HG1 GLU 78 8.828 12.611 -0.385 639 H ILE 79 HN ILE 79 13.100 10.861 -1.653 640 HA ILE 79 HA ILE 79 14.856 12.720 -2.925 641 HB ILE 79 HB ILE 79 15.701 10.267 -1.394 642 1HG1 ILE 79 HG12 ILE 79 15.611 12.773 0.100 643 2HG1 ILE 79 HG11 ILE 79 14.014 12.250 -0.431 644 1HG2 ILE 79 HG21 ILE 79 17.718 11.412 -0.988 645 2HG2 ILE 79 HG22 ILE 79 17.051 12.948 -1.541 646 3HG2 ILE 79 HG23 ILE 79 17.377 11.659 -2.701 647 1HD1 ILE 79 HD11 ILE 79 15.946 10.846 1.369 648 2HD1 ILE 79 HD12 ILE 79 14.636 9.982 0.563 649 3HD1 ILE 79 HD13 ILE 79 14.270 11.303 1.674 650 H LYS 80 HN LYS 80 13.728 11.533 -5.035 651 HA LYS 80 HA LYS 80 14.284 10.739 -7.063 652 1HB LYS 80 HB2 LYS 80 16.393 11.150 -7.621 653 2HB LYS 80 HB1 LYS 80 16.745 11.395 -5.919 654 1HG LYS 80 HG2 LYS 80 17.653 9.279 -5.670 655 2HG LYS 80 HG1 LYS 80 16.832 8.648 -7.097 656 1HD LYS 80 HD2 LYS 80 19.063 8.878 -7.766 657 2HD LYS 80 HD1 LYS 80 18.260 10.304 -8.427 658 1HE LYS 80 HE2 LYS 80 19.007 11.259 -6.025 659 2HE LYS 80 HE1 LYS 80 20.291 10.082 -6.295 660 1HZ LYS 80 HZ1 LYS 80 19.712 12.560 -7.717 661 2HZ LYS 80 HZ2 LYS 80 20.271 11.266 -8.652 662 3HZ LYS 80 HZ3 LYS 80 21.200 11.838 -7.360 663 H GLN 81 HN GLN 81 13.208 9.032 -7.529 664 HA GLN 81 HA GLN 81 14.176 6.435 -7.520 665 1HB GLN 81 HB2 GLN 81 13.053 7.203 -4.964 666 2HB GLN 81 HB1 GLN 81 12.154 5.867 -5.670 667 1HG GLN 81 HG2 GLN 81 15.128 5.752 -5.605 668 2HG GLN 81 HG1 GLN 81 14.215 5.428 -4.134 669 1HE2 GLN 81 HE21 GLN 81 13.702 3.394 -3.803 670 2HE2 GLN 81 HE22 GLN 81 13.533 2.172 -5.013 671 H LEU 82 HN LEU 82 10.904 7.186 -6.399 672 HA LEU 82 HA LEU 82 9.877 6.941 -9.117 673 1HB LEU 82 HB2 LEU 82 8.077 5.353 -7.988 674 2HB LEU 82 HB1 LEU 82 9.545 4.736 -8.723 675 HG LEU 82 HG LEU 82 9.701 5.391 -5.840 676 1HD1 LEU 82 HD11 LEU 82 8.715 3.175 -5.267 677 2HD1 LEU 82 HD12 LEU 82 8.102 3.077 -6.917 678 3HD1 LEU 82 HD13 LEU 82 7.544 4.360 -5.845 679 1HD2 LEU 82 HD21 LEU 82 11.396 3.904 -5.864 680 2HD2 LEU 82 HD22 LEU 82 11.368 4.217 -7.600 681 3HD2 LEU 82 HD23 LEU 82 10.552 2.796 -6.945 682 H ASN 83 HN ASN 83 9.580 9.253 -8.504 683 HA ASN 83 HA ASN 83 7.657 9.954 -6.521 684 1HB ASN 83 HB2 ASN 83 9.181 11.663 -7.063 685 2HB ASN 83 HB1 ASN 83 8.966 11.430 -8.794 686 1HD2 ASN 83 HD21 ASN 83 7.843 12.951 -9.752 687 2HD2 ASN 83 HD22 ASN 83 6.610 13.922 -9.030 688 H HIS 84 HN HIS 84 7.439 8.646 -9.626 689 HA HIS 84 HA HIS 84 5.025 9.795 -10.538 690 1HB HIS 84 HB2 HIS 84 5.792 6.983 -11.231 691 2HB HIS 84 HB1 HIS 84 5.084 8.228 -12.254 692 HD1 HIS 84 HD1 HIS 84 8.380 7.161 -10.779 693 HD2 HIS 84 HD2 HIS 84 6.894 9.811 -13.613 694 HE1 HIS 84 HE1 HIS 84 10.395 8.033 -12.003 695 HE2 HIS 84 HE2 HIS 84 9.478 9.696 -13.660 696 H PHE 85 HN PHE 85 5.709 6.840 -8.685 697 HA PHE 85 HA PHE 85 3.130 5.802 -8.591 698 1HB PHE 85 HB2 PHE 85 5.263 4.701 -7.760 699 2HB PHE 85 HB1 PHE 85 5.083 5.661 -6.292 700 HD1 PHE 85 HD1 PHE 85 3.972 4.716 -4.510 701 HD2 PHE 85 HD2 PHE 85 3.095 3.354 -8.447 702 HE1 PHE 85 HE1 PHE 85 2.463 3.003 -3.577 703 HE2 PHE 85 HE2 PHE 85 1.589 1.643 -7.523 704 HZ PHE 85 HZ PHE 85 1.272 1.466 -5.089 705 H TRP 86 HN TRP 86 4.563 8.446 -6.821 706 HA TRP 86 HA TRP 86 2.413 8.612 -4.916 707 1HB TRP 86 HB2 TRP 86 4.799 9.327 -4.469 708 2HB TRP 86 HB1 TRP 86 4.497 10.716 -5.508 709 HD1 TRP 86 HD1 TRP 86 3.616 12.795 -4.321 710 HE1 TRP 86 HE1 TRP 86 2.527 13.296 -2.038 711 HE3 TRP 86 HE3 TRP 86 3.138 8.014 -2.595 712 HZ2 TRP 86 HZ2 TRP 86 1.589 11.842 0.201 713 HZ3 TRP 86 HZ3 TRP 86 2.138 7.650 -0.378 714 HH2 TRP 86 HH2 TRP 86 1.380 9.525 0.990 715 H GLU 87 HN GLU 87 3.416 10.350 -7.838 716 HA GLU 87 HA GLU 87 1.430 12.343 -7.764 717 1HB GLU 87 HB2 GLU 87 3.154 11.160 -9.903 718 2HB GLU 87 HB1 GLU 87 1.812 12.192 -10.379 719 1HG GLU 87 HG2 GLU 87 2.712 13.990 -8.978 720 2HG GLU 87 HG1 GLU 87 4.072 12.955 -8.544 721 H ILE 88 HN ILE 88 1.385 9.026 -8.568 722 HA ILE 88 HA ILE 88 -1.169 9.137 -9.970 723 HB ILE 88 HB ILE 88 0.411 6.713 -9.089 724 1HG1 ILE 88 HG12 ILE 88 0.174 7.654 -11.925 725 2HG1 ILE 88 HG11 ILE 88 1.366 8.402 -10.862 726 1HG2 ILE 88 HG21 ILE 88 -1.931 6.195 -9.384 727 2HG2 ILE 88 HG22 ILE 88 -1.003 5.516 -10.721 728 3HG2 ILE 88 HG23 ILE 88 -1.940 6.992 -10.957 729 1HD1 ILE 88 HD11 ILE 88 1.180 5.469 -11.508 730 2HD1 ILE 88 HD12 ILE 88 2.380 6.226 -10.462 731 3HD1 ILE 88 HD13 ILE 88 2.341 6.611 -12.183 732 H VAL 89 HN VAL 89 0.070 7.466 -7.085 733 HA VAL 89 HA VAL 89 -2.238 6.634 -5.914 734 HB VAL 89 HB VAL 89 0.321 7.654 -4.731 735 1HG1 VAL 89 HG11 VAL 89 -2.066 6.743 -3.132 736 2HG1 VAL 89 HG12 VAL 89 -1.345 8.351 -3.116 737 3HG1 VAL 89 HG13 VAL 89 -0.441 6.971 -2.492 738 1HG2 VAL 89 HG21 VAL 89 0.099 5.401 -5.814 739 2HG2 VAL 89 HG22 VAL 89 -0.996 4.958 -4.505 740 3HG2 VAL 89 HG23 VAL 89 0.680 5.379 -4.150 741 H VAL 90 HN VAL 90 -1.012 9.897 -6.095 742 HA VAL 90 HA VAL 90 -3.090 10.914 -4.325 743 HB VAL 90 HB VAL 90 -0.684 11.827 -4.386 744 1HG1 VAL 90 HG11 VAL 90 -1.776 13.350 -6.745 745 2HG1 VAL 90 HG12 VAL 90 -0.573 12.064 -6.846 746 3HG1 VAL 90 HG13 VAL 90 -0.198 13.557 -5.984 747 1HG2 VAL 90 HG21 VAL 90 -2.568 12.854 -3.176 748 2HG2 VAL 90 HG22 VAL 90 -2.965 13.784 -4.621 749 3HG2 VAL 90 HG23 VAL 90 -1.429 14.050 -3.796 750 H GLN 91 HN GLN 91 -2.128 10.980 -7.713 751 HA GLN 91 HA GLN 91 -3.924 12.679 -8.845 752 1HB GLN 91 HB2 GLN 91 -2.345 11.547 -10.245 753 2HB GLN 91 HB1 GLN 91 -3.021 9.975 -9.845 754 1HG GLN 91 HG2 GLN 91 -4.858 10.271 -11.211 755 2HG GLN 91 HG1 GLN 91 -4.713 12.027 -11.197 756 1HE2 GLN 91 HE21 GLN 91 -4.885 10.047 -13.406 757 2HE2 GLN 91 HE22 GLN 91 -3.521 10.377 -14.413 758 H ASP 92 HN ASP 92 -4.566 9.548 -7.444 759 HA ASP 92 HA ASP 92 -7.341 9.589 -8.372 760 1HB ASP 92 HB2 ASP 92 -5.579 7.602 -7.007 761 2HB ASP 92 HB1 ASP 92 -7.311 7.479 -6.726 762 H GLY 93 HN GLY 93 -5.530 9.616 -5.347 763 1HA GLY 93 HA2 GLY 93 -6.219 11.550 -3.839 764 2HA GLY 93 HA1 GLY 93 -7.849 10.924 -4.061 765 H ILE 94 HN ILE 94 -5.403 8.536 -3.863 766 HA ILE 94 HA ILE 94 -6.494 7.258 -1.654 767 HB ILE 94 HB ILE 94 -3.570 7.122 -2.376 768 1HG1 ILE 94 HG12 ILE 94 -5.844 5.528 -3.581 769 2HG1 ILE 94 HG11 ILE 94 -5.031 6.869 -4.386 770 1HG2 ILE 94 HG21 ILE 94 -4.319 6.023 -0.279 771 2HG2 ILE 94 HG22 ILE 94 -3.664 4.899 -1.469 772 3HG2 ILE 94 HG23 ILE 94 -5.408 5.022 -1.238 773 1HD1 ILE 94 HD11 ILE 94 -4.213 4.713 -5.163 774 2HD1 ILE 94 HD12 ILE 94 -3.729 4.299 -3.518 775 3HD1 ILE 94 HD13 ILE 94 -2.941 5.633 -4.360 776 H THR 95 HN THR 95 -6.186 7.362 0.521 777 HA THR 95 HA THR 95 -4.731 9.713 1.488 778 HB THR 95 HB THR 95 -6.059 9.605 3.485 779 HG1 THR 95 HG1 THR 95 -7.747 7.588 2.850 780 1HG2 THR 95 HG21 THR 95 -7.829 9.077 1.095 781 2HG2 THR 95 HG22 THR 95 -7.113 10.634 1.511 782 3HG2 THR 95 HG23 THR 95 -8.303 9.896 2.583 783 H LEU 96 HN LEU 96 -4.445 9.054 4.120 784 HA LEU 96 HA LEU 96 -2.404 6.927 4.021 785 1HB LEU 96 HB2 LEU 96 -2.415 9.600 5.394 786 2HB LEU 96 HB1 LEU 96 -1.462 8.281 6.043 787 HG LEU 96 HG LEU 96 -0.624 10.142 4.181 788 1HD1 LEU 96 HD11 LEU 96 0.367 7.631 5.348 789 2HD1 LEU 96 HD12 LEU 96 1.090 9.240 5.319 790 3HD1 LEU 96 HD13 LEU 96 1.205 8.194 3.903 791 1HD2 LEU 96 HD21 LEU 96 -0.144 8.894 2.146 792 2HD2 LEU 96 HD22 LEU 96 -1.882 9.032 2.400 793 3HD2 LEU 96 HD23 LEU 96 -1.057 7.515 2.760 794 H ILE 97 HN ILE 97 -1.855 6.468 6.528 795 HA ILE 97 HA ILE 97 -4.263 5.314 7.589 796 HB ILE 97 HB ILE 97 -1.361 5.221 8.274 797 1HG1 ILE 97 HG12 ILE 97 -1.839 2.778 8.301 798 2HG1 ILE 97 HG11 ILE 97 -3.531 3.133 7.963 799 1HG2 ILE 97 HG21 ILE 97 -2.151 3.811 10.334 800 2HG2 ILE 97 HG22 ILE 97 -3.572 4.852 10.237 801 3HG2 ILE 97 HG23 ILE 97 -1.970 5.563 10.456 802 1HD1 ILE 97 HD11 ILE 97 -2.963 4.044 5.814 803 2HD1 ILE 97 HD12 ILE 97 -2.241 2.442 5.970 804 3HD1 ILE 97 HD13 ILE 97 -1.241 3.883 6.157 805 H THR 98 HN THR 98 -5.675 6.565 8.668 806 HA THR 98 HA THR 98 -4.593 8.633 10.467 807 HB THR 98 HB THR 98 -7.377 8.937 9.515 808 HG1 THR 98 HG1 THR 98 -6.872 9.290 7.474 809 1HG2 THR 98 HG21 THR 98 -5.041 10.809 9.908 810 2HG2 THR 98 HG22 THR 98 -6.414 10.587 10.993 811 3HG2 THR 98 HG23 THR 98 -6.655 11.309 9.403 812 H LYS 99 HN LYS 99 -5.882 9.147 12.339 813 HA LYS 99 HA LYS 99 -6.422 7.224 14.094 814 1HB LYS 99 HB2 LYS 99 -7.037 9.953 13.905 815 2HB LYS 99 HB1 LYS 99 -8.539 9.171 14.363 816 1HG LYS 99 HG2 LYS 99 -7.835 8.855 16.442 817 2HG LYS 99 HG1 LYS 99 -6.287 8.202 15.902 818 1HD LYS 99 HD2 LYS 99 -5.233 10.203 16.070 819 2HD LYS 99 HD1 LYS 99 -6.663 11.115 15.581 820 1HE LYS 99 HE2 LYS 99 -7.602 10.975 17.755 821 2HE LYS 99 HE1 LYS 99 -6.415 9.774 18.264 822 1HZ LYS 99 HZ1 LYS 99 -5.893 12.632 17.647 823 2HZ LYS 99 HZ2 LYS 99 -4.689 11.494 17.989 824 3HZ LYS 99 HZ3 LYS 99 -5.831 11.896 19.170 825 H GLU 100 HN GLU 100 -9.297 8.738 12.654 826 HA GLU 100 HA GLU 100 -10.958 6.529 13.199 827 1HB GLU 100 HB2 GLU 100 -11.455 9.079 12.594 828 2HB GLU 100 HB1 GLU 100 -11.687 8.386 10.994 829 1HG GLU 100 HG2 GLU 100 -13.459 7.027 11.724 830 2HG GLU 100 HG1 GLU 100 -13.070 7.295 13.422 831 H GLU 101 HN GLU 101 -8.785 7.150 10.613 832 HA GLU 101 HA GLU 101 -10.068 5.476 8.677 833 1HB GLU 101 HB2 GLU 101 -7.537 6.993 8.859 834 2HB GLU 101 HB1 GLU 101 -7.537 5.606 7.774 835 1HG GLU 101 HG2 GLU 101 -9.388 7.976 7.684 836 2HG GLU 101 HG1 GLU 101 -8.101 7.582 6.545 837 H ALA 102 HN ALA 102 -8.346 4.776 11.481 838 HA ALA 102 HA ALA 102 -8.162 1.987 10.722 839 1HB ALA 102 HB1 ALA 102 -6.022 2.815 9.936 840 2HB ALA 102 HB2 ALA 102 -5.797 1.763 11.333 841 3HB ALA 102 HB3 ALA 102 -5.689 3.514 11.521 842 H SER 103 HN SER 103 -8.529 0.665 12.386 843 HA SER 103 HA SER 103 -9.171 -0.005 14.461 844 1HB SER 103 HB2 SER 103 -6.759 1.699 15.042 845 2HB SER 103 HB1 SER 103 -7.628 0.872 16.334 846 HG SER 103 HG SER 103 -5.762 -0.211 15.134 847 H GLY 104 HN GLY 104 -9.171 1.246 16.928 848 1HA GLY 104 HA2 GLY 104 -11.524 2.868 16.705 849 2HA GLY 104 HA1 GLY 104 -10.708 2.412 18.196 850 H SER 105 HN SER 105 -10.409 4.546 15.389 851 HA SER 105 HA SER 105 -9.381 6.550 15.111 852 1HB SER 105 HB2 SER 105 -11.458 7.004 16.550 853 2HB SER 105 HB1 SER 105 -10.330 7.188 17.895 854 HG SER 105 HG SER 105 -10.529 9.198 17.083 855 H SER 106 HN SER 106 -7.335 5.098 15.465 856 HA SER 106 HA SER 106 -5.757 6.432 17.553 857 1HB SER 106 HB2 SER 106 -4.725 3.787 16.924 858 2HB SER 106 HB1 SER 106 -5.104 4.501 18.491 859 HG SER 106 HG SER 106 -6.989 3.549 18.473 860 H VAL 107 HN VAL 107 -4.740 7.889 16.296 861 HA VAL 107 HA VAL 107 -2.329 7.660 15.289 862 HB VAL 107 HB VAL 107 -4.106 6.387 13.306 863 1HG1 VAL 107 HG11 VAL 107 -2.747 7.199 11.383 864 2HG1 VAL 107 HG12 VAL 107 -2.049 8.421 12.444 865 3HG1 VAL 107 HG13 VAL 107 -3.777 8.440 12.096 866 1HG2 VAL 107 HG21 VAL 107 -2.497 4.884 13.659 867 2HG2 VAL 107 HG22 VAL 107 -1.470 6.076 14.456 868 3HG2 VAL 107 HG23 VAL 107 -1.434 5.916 12.701 869 H THR 108 HN THR 108 -1.726 9.703 15.130 870 HA THR 108 HA THR 108 -3.514 11.846 15.006 871 HB THR 108 HB THR 108 -1.191 11.964 15.914 872 HG1 THR 108 HG1 THR 108 -1.068 14.096 15.442 873 1HG2 THR 108 HG21 THR 108 0.696 12.103 14.552 874 2HG2 THR 108 HG22 THR 108 -0.254 12.428 13.102 875 3HG2 THR 108 HG23 THR 108 -0.241 10.810 13.805 876 H ALA 109 HN ALA 109 -3.945 13.387 13.385 877 HA ALA 109 HA ALA 109 -4.146 12.276 10.736 878 1HB ALA 109 HB1 ALA 109 -5.509 14.114 10.212 879 2HB ALA 109 HB2 ALA 109 -4.808 15.108 11.489 880 3HB ALA 109 HB3 ALA 109 -5.869 13.761 11.902 881 H GLU 110 HN GLU 110 -2.070 14.405 12.432 882 HA GLU 110 HA GLU 110 -0.871 16.010 10.645 883 1HB GLU 110 HB2 GLU 110 0.088 14.538 12.993 884 2HB GLU 110 HB1 GLU 110 1.364 14.995 11.874 885 1HG GLU 110 HG2 GLU 110 0.418 17.338 11.960 886 2HG GLU 110 HG1 GLU 110 -0.564 16.786 13.317 887 H GLU 111 HN GLU 111 -0.731 12.530 10.557 888 HA GLU 111 HA GLU 111 1.428 12.439 8.641 889 1HB GLU 111 HB2 GLU 111 1.432 10.516 9.940 890 2HB GLU 111 HB1 GLU 111 -0.322 10.446 10.021 891 1HG GLU 111 HG2 GLU 111 -0.491 9.502 7.884 892 2HG GLU 111 HG1 GLU 111 1.177 9.906 7.481 893 H ALA 112 HN ALA 112 -2.047 11.835 8.650 894 HA ALA 112 HA ALA 112 -2.218 11.283 5.860 895 1HB ALA 112 HB1 ALA 112 -4.687 11.506 6.234 896 2HB ALA 112 HB2 ALA 112 -4.324 11.917 7.910 897 3HB ALA 112 HB3 ALA 112 -3.874 10.336 7.274 898 H LYS 113 HN LYS 113 -2.163 14.185 7.694 899 HA LYS 113 HA LYS 113 -3.442 15.772 5.630 900 1HB LYS 113 HB2 LYS 113 -2.857 16.087 8.434 901 2HB LYS 113 HB1 LYS 113 -2.271 17.476 7.529 902 1HG LYS 113 HG2 LYS 113 -4.582 17.557 6.466 903 2HG LYS 113 HG1 LYS 113 -5.075 16.431 7.732 904 1HD LYS 113 HD2 LYS 113 -3.741 18.355 9.151 905 2HD LYS 113 HD1 LYS 113 -4.514 19.299 7.877 906 1HE LYS 113 HE2 LYS 113 -6.669 18.532 8.491 907 2HE LYS 113 HE1 LYS 113 -6.002 17.283 9.541 908 1HZ LYS 113 HZ1 LYS 113 -5.278 18.914 11.081 909 2HZ LYS 113 HZ2 LYS 113 -6.888 19.279 10.711 910 3HZ LYS 113 HZ3 LYS 113 -5.636 20.187 10.024 911 H LYS 114 HN LYS 114 -0.223 15.563 7.148 912 HA LYS 114 HA LYS 114 0.946 17.541 5.492 913 1HB LYS 114 HB2 LYS 114 1.686 16.171 7.761 914 2HB LYS 114 HB1 LYS 114 2.792 15.542 6.549 915 1HG LYS 114 HG2 LYS 114 2.562 18.410 6.368 916 2HG LYS 114 HG1 LYS 114 3.037 17.903 7.989 917 1HD LYS 114 HD2 LYS 114 4.626 16.318 6.468 918 2HD LYS 114 HD1 LYS 114 4.511 17.753 5.446 919 1HE LYS 114 HE2 LYS 114 6.434 17.773 7.036 920 2HE LYS 114 HE1 LYS 114 5.345 19.151 7.194 921 1HZ LYS 114 HZ1 LYS 114 5.226 16.735 8.915 922 2HZ LYS 114 HZ2 LYS 114 4.358 18.172 9.117 923 3HZ LYS 114 HZ3 LYS 114 6.034 18.160 9.337 924 H PHE 115 HN PHE 115 0.489 14.097 5.096 925 HA PHE 115 HA PHE 115 2.441 13.779 3.042 926 1HB PHE 115 HB2 PHE 115 0.297 12.116 4.237 927 2HB PHE 115 HB1 PHE 115 0.813 11.689 2.606 928 HD1 PHE 115 HD1 PHE 115 2.529 10.189 2.389 929 HD2 PHE 115 HD2 PHE 115 2.306 12.552 5.919 930 HE1 PHE 115 HE1 PHE 115 4.456 8.977 3.316 931 HE2 PHE 115 HE2 PHE 115 4.235 11.345 6.853 932 HZ PHE 115 HZ PHE 115 5.310 9.552 5.551 933 H LEU 116 HN LEU 116 -1.098 14.151 2.997 934 HA LEU 116 HA LEU 116 -1.227 14.107 0.130 935 1HB LEU 116 HB2 LEU 116 -3.178 14.628 2.337 936 2HB LEU 116 HB1 LEU 116 -3.604 15.053 0.690 937 HG LEU 116 HG LEU 116 -2.580 12.307 1.104 938 1HD1 LEU 116 HD11 LEU 116 -4.087 11.621 2.574 939 2HD1 LEU 116 HD12 LEU 116 -5.393 12.297 1.601 940 3HD1 LEU 116 HD13 LEU 116 -4.586 13.297 2.809 941 1HD2 LEU 116 HD21 LEU 116 -3.677 11.905 -0.812 942 2HD2 LEU 116 HD22 LEU 116 -3.702 13.661 -0.968 943 3HD2 LEU 116 HD23 LEU 116 -5.100 12.815 -0.305 944 H ALA 117 HN ALA 117 -0.939 16.576 2.584 945 HA ALA 117 HA ALA 117 -1.412 18.705 0.648 946 1HB ALA 117 HB1 ALA 117 -2.319 18.793 2.993 947 2HB ALA 117 HB2 ALA 117 -1.402 20.211 2.484 948 3HB ALA 117 HB3 ALA 117 -0.658 19.016 3.546 949 HA PRO 118 HA PRO 118 2.864 19.403 -0.207 950 1HB PRO 118 HB2 PRO 118 2.883 22.056 -0.739 951 2HB PRO 118 HB1 PRO 118 2.157 20.872 -1.834 952 1HG PRO 118 HG2 PRO 118 0.835 22.651 0.181 953 2HG PRO 118 HG1 PRO 118 0.335 22.277 -1.480 954 1HD PRO 118 HD2 PRO 118 -0.767 21.079 0.692 955 2HD PRO 118 HD1 PRO 118 -0.606 20.264 -0.877 956 H LYS 119 HN LYS 119 4.721 20.922 0.386 957 HA LYS 119 HA LYS 119 4.528 21.567 3.253 958 1HB LYS 119 HB2 LYS 119 6.209 19.786 2.127 959 2HB LYS 119 HB1 LYS 119 7.193 21.238 1.999 960 1HG LYS 119 HG2 LYS 119 7.054 21.588 4.386 961 2HG LYS 119 HG1 LYS 119 5.970 20.205 4.549 962 1HD LYS 119 HD2 LYS 119 7.718 18.704 3.804 963 2HD LYS 119 HD1 LYS 119 8.801 20.068 3.513 964 1HE LYS 119 HE2 LYS 119 8.839 20.593 5.869 965 2HE LYS 119 HE1 LYS 119 7.643 19.340 6.200 966 1HZ LYS 119 HZ1 LYS 119 9.296 17.715 5.316 967 2HZ LYS 119 HZ2 LYS 119 9.763 18.475 6.754 968 3HZ LYS 119 HZ3 LYS 119 10.438 18.964 5.283 969 H ASP 120 HN ASP 120 6.197 22.576 0.271 970 HA ASP 120 HA ASP 120 6.248 25.320 1.344 971 1HB ASP 120 HB2 ASP 120 8.466 23.996 0.866 972 2HB ASP 120 HB1 ASP 120 8.127 24.421 -0.810 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -16.080 -15.821 -13.408 2 2H GLY 1 HT2 GLY 1 -15.220 -17.169 -13.957 3 3H GLY 1 HT3 GLY 1 -14.693 -15.611 -14.355 4 1HA GLY 1 HA1 GLY 1 -14.724 -15.456 -11.683 5 2HA GLY 1 HA2 GLY 1 -14.299 -17.143 -11.929 6 HA PRO 2 HA PRO 2 -10.882 -14.363 -14.167 7 1HB PRO 2 HB2 PRO 2 -11.218 -11.979 -12.419 8 2HB PRO 2 HB1 PRO 2 -10.812 -12.067 -14.136 9 1HG PRO 2 HG2 PRO 2 -13.246 -11.325 -13.353 10 2HG PRO 2 HG1 PRO 2 -13.023 -12.355 -14.780 11 1HD PRO 2 HD2 PRO 2 -13.929 -13.093 -12.028 12 2HD PRO 2 HD1 PRO 2 -14.473 -13.713 -13.601 13 H VAL 3 HN VAL 3 -8.747 -14.239 -13.406 14 HA VAL 3 HA VAL 3 -8.431 -15.048 -10.600 15 HB VAL 3 HB VAL 3 -6.056 -15.669 -11.462 16 1HG1 VAL 3 HG11 VAL 3 -6.799 -17.884 -11.986 17 2HG1 VAL 3 HG12 VAL 3 -8.407 -17.298 -12.411 18 3HG1 VAL 3 HG13 VAL 3 -7.857 -17.232 -10.736 19 1HG2 VAL 3 HG21 VAL 3 -6.014 -16.317 -13.833 20 2HG2 VAL 3 HG22 VAL 3 -6.217 -14.578 -13.626 21 3HG2 VAL 3 HG23 VAL 3 -7.603 -15.583 -14.051 22 H ASN 4 HN ASN 4 -7.865 -13.471 -9.268 23 HA ASN 4 HA ASN 4 -5.902 -11.483 -10.195 24 1HB ASN 4 HB2 ASN 4 -8.427 -10.780 -9.787 25 2HB ASN 4 HB1 ASN 4 -7.903 -10.740 -8.105 26 1HD2 ASN 4 HD21 ASN 4 -6.647 -9.720 -11.267 27 2HD2 ASN 4 HD22 ASN 4 -6.157 -8.145 -10.752 28 HA PRO 5 HA PRO 5 -3.443 -12.824 -6.762 29 1HB PRO 5 HB2 PRO 5 -2.093 -10.480 -6.262 30 2HB PRO 5 HB1 PRO 5 -1.664 -11.624 -7.539 31 1HG PRO 5 HG2 PRO 5 -3.242 -9.088 -7.714 32 2HG PRO 5 HG1 PRO 5 -2.009 -9.721 -8.822 33 1HD PRO 5 HD2 PRO 5 -4.628 -9.918 -9.374 34 2HD PRO 5 HD1 PRO 5 -3.486 -11.203 -9.818 35 H ALA 6 HN ALA 6 -5.179 -9.752 -6.522 36 HA ALA 6 HA ALA 6 -5.024 -9.520 -3.702 37 1HB ALA 6 HB1 ALA 6 -7.338 -8.191 -4.487 38 2HB ALA 6 HB2 ALA 6 -6.265 -8.090 -5.884 39 3HB ALA 6 HB3 ALA 6 -5.726 -7.498 -4.312 40 H GLU 7 HN GLU 7 -7.014 -11.379 -5.815 41 HA GLU 7 HA GLU 7 -9.081 -11.846 -3.839 42 1HB GLU 7 HB2 GLU 7 -8.603 -12.882 -6.628 43 2HB GLU 7 HB1 GLU 7 -9.892 -13.505 -5.606 44 1HG GLU 7 HG2 GLU 7 -10.845 -11.256 -5.449 45 2HG GLU 7 HG1 GLU 7 -9.562 -10.649 -6.494 46 H ASN 8 HN ASN 8 -6.433 -13.640 -5.354 47 HA ASN 8 HA ASN 8 -6.899 -16.124 -4.151 48 1HB ASN 8 HB2 ASN 8 -5.154 -15.286 -5.996 49 2HB ASN 8 HB1 ASN 8 -4.082 -15.268 -4.599 50 1HD2 ASN 8 HD21 ASN 8 -3.330 -17.147 -3.797 51 2HD2 ASN 8 HD22 ASN 8 -3.703 -18.702 -4.449 52 H PHE 9 HN PHE 9 -4.757 -13.472 -3.141 53 HA PHE 9 HA PHE 9 -3.768 -14.619 -0.809 54 1HB PHE 9 HB2 PHE 9 -2.612 -12.707 -1.260 55 2HB PHE 9 HB1 PHE 9 -4.029 -11.873 -1.885 56 HD1 PHE 9 HD1 PHE 9 -2.368 -12.942 1.253 57 HD2 PHE 9 HD2 PHE 9 -5.165 -10.310 -0.579 58 HE1 PHE 9 HE1 PHE 9 -2.528 -11.661 3.347 59 HE2 PHE 9 HE2 PHE 9 -5.329 -9.023 1.512 60 HZ PHE 9 HZ PHE 9 -4.010 -9.698 3.478 61 H ARG 10 HN ARG 10 -6.641 -12.586 -1.272 62 HA ARG 10 HA ARG 10 -7.431 -12.526 1.430 63 1HB ARG 10 HB2 ARG 10 -8.884 -12.086 -1.163 64 2HB ARG 10 HB1 ARG 10 -9.742 -12.044 0.370 65 1HG ARG 10 HG2 ARG 10 -8.207 -10.266 1.138 66 2HG ARG 10 HG1 ARG 10 -7.460 -10.267 -0.461 67 1HD ARG 10 HD2 ARG 10 -9.565 -9.634 -1.479 68 2HD ARG 10 HD1 ARG 10 -10.377 -9.726 0.086 69 HE ARG 10 HE ARG 10 -8.153 -7.863 -0.129 70 1HH1 ARG 10 HH11 ARG 10 -11.600 -8.368 -0.157 71 2HH1 ARG 10 HH12 ARG 10 -11.976 -6.708 0.166 72 1HH2 ARG 10 HH21 ARG 10 -8.637 -5.676 0.298 73 2HH2 ARG 10 HH22 ARG 10 -10.292 -5.178 0.425 74 H VAL 11 HN VAL 11 -7.875 -14.881 -1.096 75 HA VAL 11 HA VAL 11 -9.989 -16.315 0.188 76 HB VAL 11 HB VAL 11 -8.149 -16.989 -2.097 77 1HG1 VAL 11 HG11 VAL 11 -9.820 -18.960 -2.380 78 2HG1 VAL 11 HG12 VAL 11 -10.070 -18.762 -0.646 79 3HG1 VAL 11 HG13 VAL 11 -8.461 -19.125 -1.268 80 1HG2 VAL 11 HG21 VAL 11 -11.120 -16.911 -2.254 81 2HG2 VAL 11 HG22 VAL 11 -9.913 -16.497 -3.471 82 3HG2 VAL 11 HG23 VAL 11 -10.240 -15.386 -2.141 83 H LEU 12 HN LEU 12 -6.463 -16.737 -0.017 84 HA LEU 12 HA LEU 12 -6.479 -19.178 1.468 85 1HB LEU 12 HB2 LEU 12 -3.963 -18.548 1.752 86 2HB LEU 12 HB1 LEU 12 -4.585 -19.049 0.190 87 HG LEU 12 HG LEU 12 -4.893 -16.309 0.118 88 1HD1 LEU 12 HD11 LEU 12 -2.124 -16.734 1.151 89 2HD1 LEU 12 HD12 LEU 12 -3.448 -16.420 2.274 90 3HD1 LEU 12 HD13 LEU 12 -3.058 -15.243 1.020 91 1HD2 LEU 12 HD21 LEU 12 -2.862 -16.415 -1.358 92 2HD2 LEU 12 HD22 LEU 12 -4.138 -17.568 -1.748 93 3HD2 LEU 12 HD23 LEU 12 -2.697 -18.106 -0.885 94 H VAL 13 HN VAL 13 -6.418 -15.821 2.331 95 HA VAL 13 HA VAL 13 -5.679 -16.443 5.094 96 HB VAL 13 HB VAL 13 -5.590 -14.063 5.489 97 1HG1 VAL 13 HG11 VAL 13 -4.237 -14.020 2.899 98 2HG1 VAL 13 HG12 VAL 13 -3.880 -15.447 3.872 99 3HG1 VAL 13 HG13 VAL 13 -3.584 -13.837 4.527 100 1HG2 VAL 13 HG21 VAL 13 -7.224 -12.957 4.364 101 2HG2 VAL 13 HG22 VAL 13 -7.050 -13.944 2.914 102 3HG2 VAL 13 HG23 VAL 13 -5.893 -12.654 3.248 103 H LYS 14 HN LYS 14 -8.422 -16.442 3.279 104 HA LYS 14 HA LYS 14 -10.292 -15.082 4.868 105 1HB LYS 14 HB2 LYS 14 -10.495 -16.113 2.480 106 2HB LYS 14 HB1 LYS 14 -11.023 -17.552 3.341 107 1HG LYS 14 HG2 LYS 14 -12.922 -16.481 4.198 108 2HG LYS 14 HG1 LYS 14 -12.297 -14.878 3.805 109 1HD LYS 14 HD2 LYS 14 -12.630 -15.224 1.480 110 2HD LYS 14 HD1 LYS 14 -12.937 -16.946 1.712 111 1HE LYS 14 HE2 LYS 14 -15.020 -15.773 1.313 112 2HE LYS 14 HE1 LYS 14 -14.980 -16.397 2.962 113 1HZ LYS 14 HZ1 LYS 14 -14.412 -13.595 2.153 114 2HZ LYS 14 HZ2 LYS 14 -14.361 -14.188 3.736 115 3HZ LYS 14 HZ3 LYS 14 -15.829 -14.141 2.898 116 H GLN 15 HN GLN 15 -8.527 -17.867 5.602 117 HA GLN 15 HA GLN 15 -10.556 -18.667 7.587 118 1HB GLN 15 HB2 GLN 15 -8.665 -20.740 7.378 119 2HB GLN 15 HB1 GLN 15 -10.339 -20.755 6.840 120 1HG GLN 15 HG2 GLN 15 -8.876 -19.419 4.840 121 2HG GLN 15 HG1 GLN 15 -7.936 -20.837 5.296 122 1HE2 GLN 15 HE21 GLN 15 -8.284 -22.185 3.650 123 2HE2 GLN 15 HE22 GLN 15 -9.837 -22.730 3.122 124 H LYS 16 HN LYS 16 -7.053 -18.533 7.033 125 HA LYS 16 HA LYS 16 -5.815 -17.108 8.685 126 1HB LYS 16 HB2 LYS 16 -5.800 -17.725 10.977 127 2HB LYS 16 HB1 LYS 16 -7.492 -17.621 10.523 128 1HG LYS 16 HG2 LYS 16 -7.201 -20.198 10.092 129 2HG LYS 16 HG1 LYS 16 -5.847 -20.004 11.206 130 1HD LYS 16 HD2 LYS 16 -7.196 -19.558 12.985 131 2HD LYS 16 HD1 LYS 16 -8.430 -18.779 11.991 132 1HE LYS 16 HE2 LYS 16 -8.195 -21.574 11.331 133 2HE LYS 16 HE1 LYS 16 -8.486 -21.364 13.057 134 1HZ LYS 16 HZ1 LYS 16 -10.239 -19.640 11.958 135 2HZ LYS 16 HZ2 LYS 16 -10.615 -21.215 12.445 136 3HZ LYS 16 HZ3 LYS 16 -10.247 -20.896 10.825 137 H LYS 17 HN LYS 17 -5.990 -19.813 7.053 138 HA LYS 17 HA LYS 17 -3.992 -21.447 8.154 139 1HB LYS 17 HB2 LYS 17 -5.588 -21.376 5.718 140 2HB LYS 17 HB1 LYS 17 -3.967 -22.004 5.453 141 1HG LYS 17 HG2 LYS 17 -4.293 -23.712 7.102 142 2HG LYS 17 HG1 LYS 17 -5.849 -23.022 7.569 143 1HD LYS 17 HD2 LYS 17 -6.502 -23.393 5.102 144 2HD LYS 17 HD1 LYS 17 -5.107 -24.472 5.051 145 1HE LYS 17 HE2 LYS 17 -6.178 -25.497 7.196 146 2HE LYS 17 HE1 LYS 17 -7.648 -24.725 6.605 147 1HZ LYS 17 HZ1 LYS 17 -7.388 -25.935 4.520 148 2HZ LYS 17 HZ2 LYS 17 -7.494 -26.998 5.831 149 3HZ LYS 17 HZ3 LYS 17 -5.995 -26.690 5.112 150 H ALA 18 HN ALA 18 -3.909 -18.776 5.882 151 HA ALA 18 HA ALA 18 -1.051 -19.152 5.430 152 1HB ALA 18 HB1 ALA 18 -2.787 -16.980 4.286 153 2HB ALA 18 HB2 ALA 18 -2.662 -18.589 3.574 154 3HB ALA 18 HB3 ALA 18 -1.232 -17.563 3.691 155 H SER 19 HN SER 19 -3.035 -17.552 7.603 156 HA SER 19 HA SER 19 -2.802 -15.821 9.064 157 1HB SER 19 HB2 SER 19 -0.932 -17.481 9.643 158 2HB SER 19 HB1 SER 19 0.162 -16.320 8.888 159 HG SER 19 HG SER 19 0.135 -15.405 10.777 160 H PHE 20 HN PHE 20 -2.209 -13.636 9.395 161 HA PHE 20 HA PHE 20 -1.636 -12.207 6.967 162 1HB PHE 20 HB2 PHE 20 -3.164 -11.619 9.112 163 2HB PHE 20 HB1 PHE 20 -1.698 -10.745 9.545 164 HD1 PHE 20 HD1 PHE 20 -4.562 -10.894 7.323 165 HD2 PHE 20 HD2 PHE 20 -0.878 -8.919 8.124 166 HE1 PHE 20 HE1 PHE 20 -5.236 -9.047 5.844 167 HE2 PHE 20 HE2 PHE 20 -1.546 -7.067 6.648 168 HZ PHE 20 HZ PHE 20 -3.727 -7.129 5.506 169 H GLU 21 HN GLU 21 0.535 -13.717 7.444 170 HA GLU 21 HA GLU 21 2.561 -11.737 8.226 171 1HB GLU 21 HB2 GLU 21 2.011 -14.109 9.617 172 2HB GLU 21 HB1 GLU 21 3.473 -14.441 8.697 173 1HG GLU 21 HG2 GLU 21 4.568 -12.526 9.681 174 2HG GLU 21 HG1 GLU 21 3.091 -12.093 10.539 175 H GLU 22 HN GLU 22 2.488 -15.035 6.862 176 HA GLU 22 HA GLU 22 4.624 -14.512 5.065 177 1HB GLU 22 HB2 GLU 22 2.700 -16.759 5.493 178 2HB GLU 22 HB1 GLU 22 3.623 -16.714 3.997 179 1HG GLU 22 HG2 GLU 22 4.843 -18.069 5.476 180 2HG GLU 22 HG1 GLU 22 5.694 -16.525 5.419 181 H ALA 23 HN ALA 23 1.110 -14.619 4.728 182 HA ALA 23 HA ALA 23 1.043 -14.286 1.918 183 1HB ALA 23 HB1 ALA 23 -0.814 -14.968 3.690 184 2HB ALA 23 HB2 ALA 23 -1.224 -14.266 2.125 185 3HB ALA 23 HB3 ALA 23 -1.196 -13.251 3.566 186 H SER 24 HN SER 24 1.218 -12.050 4.610 187 HA SER 24 HA SER 24 0.643 -9.709 3.074 188 1HB SER 24 HB2 SER 24 1.849 -8.652 5.192 189 2HB SER 24 HB1 SER 24 0.218 -9.311 5.304 190 HG SER 24 HG SER 24 1.314 -11.331 5.932 191 H ASN 25 HN ASN 25 3.647 -10.927 4.565 192 HA ASN 25 HA ASN 25 5.417 -9.102 3.492 193 1HB ASN 25 HB2 ASN 25 5.645 -11.902 4.466 194 2HB ASN 25 HB1 ASN 25 6.997 -11.264 3.536 195 1HD2 ASN 25 HD21 ASN 25 5.547 -11.446 6.553 196 2HD2 ASN 25 HD22 ASN 25 6.498 -10.257 7.367 197 H GLN 26 HN GLN 26 4.284 -12.149 2.073 198 HA GLN 26 HA GLN 26 5.872 -12.068 -0.243 199 1HB GLN 26 HB2 GLN 26 3.364 -13.467 0.558 200 2HB GLN 26 HB1 GLN 26 3.783 -13.443 -1.150 201 1HG GLN 26 HG2 GLN 26 5.991 -14.406 -0.573 202 2HG GLN 26 HG1 GLN 26 5.454 -14.533 1.104 203 1HE2 GLN 26 HE21 GLN 26 5.747 -16.150 -1.758 204 2HE2 GLN 26 HE22 GLN 26 4.610 -17.422 -1.483 205 H LEU 27 HN LEU 27 2.610 -10.849 0.409 206 HA LEU 27 HA LEU 27 1.984 -9.950 -2.151 207 1HB LEU 27 HB2 LEU 27 0.643 -10.014 0.155 208 2HB LEU 27 HB1 LEU 27 1.112 -8.324 0.183 209 HG LEU 27 HG LEU 27 -1.147 -8.683 -0.746 210 1HD1 LEU 27 HD11 LEU 27 0.408 -7.746 -3.081 211 2HD1 LEU 27 HD12 LEU 27 0.667 -6.909 -1.550 212 3HD1 LEU 27 HD13 LEU 27 -0.952 -6.997 -2.243 213 1HD2 LEU 27 HD21 LEU 27 -0.376 -9.621 -3.346 214 2HD2 LEU 27 HD22 LEU 27 -1.592 -10.261 -2.239 215 3HD2 LEU 27 HD23 LEU 27 0.085 -10.796 -2.114 216 H ILE 28 HN ILE 28 3.613 -8.235 0.521 217 HA ILE 28 HA ILE 28 3.920 -5.800 -0.866 218 HB ILE 28 HB ILE 28 4.369 -6.594 1.702 219 1HG1 ILE 28 HG12 ILE 28 5.461 -4.253 1.908 220 2HG1 ILE 28 HG11 ILE 28 5.172 -4.136 0.173 221 1HG2 ILE 28 HG21 ILE 28 6.654 -6.416 2.286 222 2HG2 ILE 28 HG22 ILE 28 7.105 -5.916 0.656 223 3HG2 ILE 28 HG23 ILE 28 6.570 -7.570 0.955 224 1HD1 ILE 28 HD11 ILE 28 3.369 -3.699 2.337 225 2HD1 ILE 28 HD12 ILE 28 2.767 -5.016 1.329 226 3HD1 ILE 28 HD13 ILE 28 3.121 -3.445 0.609 227 H ASN 29 HN ASN 29 5.854 -8.730 -0.731 228 HA ASN 29 HA ASN 29 8.178 -7.695 -1.958 229 1HB ASN 29 HB2 ASN 29 7.152 -10.305 -1.178 230 2HB ASN 29 HB1 ASN 29 8.024 -10.378 -2.706 231 1HD2 ASN 29 HD21 ASN 29 8.312 -8.992 0.544 232 2HD2 ASN 29 HD22 ASN 29 10.008 -9.276 0.701 233 H HIS 30 HN HIS 30 5.305 -9.326 -3.229 234 HA HIS 30 HA HIS 30 6.051 -9.414 -5.922 235 1HB HIS 30 HB2 HIS 30 3.792 -10.101 -4.436 236 2HB HIS 30 HB1 HIS 30 3.211 -8.878 -5.564 237 HD1 HIS 30 HD1 HIS 30 5.376 -12.011 -5.797 238 HD2 HIS 30 HD2 HIS 30 2.402 -9.991 -7.881 239 HE1 HIS 30 HE1 HIS 30 4.885 -13.431 -7.813 240 HE2 HIS 30 HE2 HIS 30 3.017 -12.235 -9.009 241 H ILE 31 HN ILE 31 4.343 -6.931 -4.065 242 HA ILE 31 HA ILE 31 3.834 -5.139 -6.150 243 HB ILE 31 HB ILE 31 4.401 -4.546 -3.240 244 1HG1 ILE 31 HG12 ILE 31 1.743 -4.635 -4.670 245 2HG1 ILE 31 HG11 ILE 31 2.425 -6.029 -3.834 246 1HG2 ILE 31 HG21 ILE 31 4.763 -2.526 -4.440 247 2HG2 ILE 31 HG22 ILE 31 3.157 -2.416 -3.719 248 3HG2 ILE 31 HG23 ILE 31 3.330 -2.786 -5.434 249 1HD1 ILE 31 HD11 ILE 31 2.472 -4.673 -1.753 250 2HD1 ILE 31 HD12 ILE 31 0.853 -4.962 -2.392 251 3HD1 ILE 31 HD13 ILE 31 1.626 -3.393 -2.625 252 H GLU 32 HN GLU 32 6.590 -5.280 -3.898 253 HA GLU 32 HA GLU 32 8.058 -3.149 -4.870 254 1HB GLU 32 HB2 GLU 32 8.849 -5.737 -3.572 255 2HB GLU 32 HB1 GLU 32 10.079 -4.603 -4.112 256 1HG GLU 32 HG2 GLU 32 9.020 -2.860 -2.705 257 2HG GLU 32 HG1 GLU 32 7.905 -4.085 -2.097 258 H GLN 33 HN GLN 33 8.081 -6.525 -5.963 259 HA GLN 33 HA GLN 33 10.093 -6.292 -7.891 260 1HB GLN 33 HB2 GLN 33 7.721 -8.124 -7.619 261 2HB GLN 33 HB1 GLN 33 8.801 -8.238 -9.001 262 1HG GLN 33 HG2 GLN 33 10.673 -8.702 -7.553 263 2HG GLN 33 HG1 GLN 33 9.662 -8.476 -6.128 264 1HE2 GLN 33 HE21 GLN 33 8.426 -10.124 -5.411 265 2HE2 GLN 33 HE22 GLN 33 8.375 -11.690 -6.138 266 H PHE 34 HN PHE 34 6.584 -5.894 -8.167 267 HA PHE 34 HA PHE 34 6.402 -5.373 -10.882 268 1HB PHE 34 HB2 PHE 34 4.767 -4.664 -8.500 269 2HB PHE 34 HB1 PHE 34 4.438 -3.789 -9.991 270 HD1 PHE 34 HD1 PHE 34 2.551 -4.602 -11.000 271 HD2 PHE 34 HD2 PHE 34 5.276 -7.349 -9.228 272 HE1 PHE 34 HE1 PHE 34 1.171 -6.477 -11.797 273 HE2 PHE 34 HE2 PHE 34 3.903 -9.230 -10.022 274 HZ PHE 34 HZ PHE 34 1.847 -8.794 -11.309 275 H LEU 35 HN LEU 35 7.427 -3.289 -8.261 276 HA LEU 35 HA LEU 35 7.416 -0.896 -9.867 277 1HB LEU 35 HB2 LEU 35 8.643 -1.465 -7.167 278 2HB LEU 35 HB1 LEU 35 8.558 0.120 -7.917 279 HG LEU 35 HG LEU 35 5.979 -1.292 -7.621 280 1HD1 LEU 35 HD11 LEU 35 6.696 -1.931 -5.510 281 2HD1 LEU 35 HD12 LEU 35 5.918 -0.378 -5.208 282 3HD1 LEU 35 HD13 LEU 35 7.677 -0.482 -5.294 283 1HD2 LEU 35 HD21 LEU 35 5.193 0.921 -7.115 284 2HD2 LEU 35 HD22 LEU 35 6.247 1.003 -8.527 285 3HD2 LEU 35 HD23 LEU 35 6.846 1.515 -6.949 286 H ASP 36 HN ASP 36 9.536 -3.512 -9.356 287 HA ASP 36 HA ASP 36 11.971 -2.108 -9.985 288 1HB ASP 36 HB2 ASP 36 11.753 -4.239 -8.571 289 2HB ASP 36 HB1 ASP 36 11.586 -5.095 -10.101 290 H THR 37 HN THR 37 9.377 -2.913 -11.814 291 HA THR 37 HA THR 37 11.006 -3.115 -14.247 292 HB THR 37 HB THR 37 8.646 -4.303 -14.980 293 HG1 THR 37 HG1 THR 37 9.162 -5.838 -12.769 294 1HG2 THR 37 HG21 THR 37 11.061 -4.967 -15.409 295 2HG2 THR 37 HG22 THR 37 9.908 -6.288 -15.220 296 3HG2 THR 37 HG23 THR 37 10.982 -5.857 -13.888 297 H ASN 38 HN ASN 38 10.659 -1.508 -15.579 298 HA ASN 38 HA ASN 38 8.634 0.449 -15.108 299 1HB ASN 38 HB2 ASN 38 11.035 0.680 -16.179 300 2HB ASN 38 HB1 ASN 38 10.165 0.350 -17.676 301 1HD2 ASN 38 HD21 ASN 38 9.786 2.341 -14.760 302 2HD2 ASN 38 HD22 ASN 38 9.290 3.770 -15.595 303 H GLU 39 HN GLU 39 6.576 0.217 -15.668 304 HA GLU 39 HA GLU 39 5.809 -0.501 -18.322 305 1HB GLU 39 HB2 GLU 39 5.782 -2.542 -16.213 306 2HB GLU 39 HB1 GLU 39 4.243 -2.356 -17.039 307 1HG GLU 39 HG2 GLU 39 6.898 -2.945 -18.326 308 2HG GLU 39 HG1 GLU 39 5.573 -4.081 -18.082 309 H THR 40 HN THR 40 3.536 -0.195 -18.701 310 HA THR 40 HA THR 40 2.415 1.809 -16.958 311 HB THR 40 HB THR 40 1.058 0.634 -19.379 312 HG1 THR 40 HG1 THR 40 2.404 2.966 -19.806 313 1HG2 THR 40 HG21 THR 40 -0.008 2.812 -19.507 314 2HG2 THR 40 HG22 THR 40 0.934 3.381 -18.130 315 3HG2 THR 40 HG23 THR 40 -0.270 2.110 -17.911 316 HA PRO 41 HA PRO 41 -1.028 -1.530 -16.427 317 1HB PRO 41 HB2 PRO 41 0.123 -4.081 -17.239 318 2HB PRO 41 HB1 PRO 41 -1.364 -3.304 -17.794 319 1HG PRO 41 HG2 PRO 41 0.821 -3.589 -19.373 320 2HG PRO 41 HG1 PRO 41 -0.312 -2.234 -19.530 321 1HD PRO 41 HD2 PRO 41 2.367 -2.321 -18.187 322 2HD PRO 41 HD1 PRO 41 1.666 -1.059 -19.222 323 H TYR 42 HN TYR 42 2.170 -1.624 -15.538 324 HA TYR 42 HA TYR 42 1.925 -3.710 -13.536 325 1HB TYR 42 HB2 TYR 42 4.112 -2.103 -14.681 326 2HB TYR 42 HB1 TYR 42 4.282 -2.457 -12.965 327 HD1 TYR 42 HD1 TYR 42 3.182 -4.342 -16.011 328 HD2 TYR 42 HD2 TYR 42 5.607 -4.281 -12.515 329 HE1 TYR 42 HE1 TYR 42 4.022 -6.587 -16.562 330 HE2 TYR 42 HE2 TYR 42 6.454 -6.524 -13.057 331 HH TYR 42 HH TYR 42 5.022 -8.549 -15.260 332 H PHE 43 HN PHE 43 2.357 -0.178 -13.596 333 HA PHE 43 HA PHE 43 2.335 0.205 -10.815 334 1HB PHE 43 HB2 PHE 43 1.818 1.962 -13.180 335 2HB PHE 43 HB1 PHE 43 1.417 2.560 -11.572 336 HD1 PHE 43 HD1 PHE 43 3.891 2.470 -14.000 337 HD2 PHE 43 HD2 PHE 43 3.369 2.147 -9.789 338 HE1 PHE 43 HE1 PHE 43 6.240 3.118 -13.663 339 HE2 PHE 43 HE2 PHE 43 5.717 2.795 -9.445 340 HZ PHE 43 HZ PHE 43 7.156 3.282 -11.382 341 H MET 44 HN MET 44 -0.249 -0.096 -13.163 342 HA MET 44 HA MET 44 -2.366 0.791 -11.511 343 1HB MET 44 HB2 MET 44 -2.283 -1.016 -13.926 344 2HB MET 44 HB1 MET 44 -3.787 -0.595 -13.115 345 1HG MET 44 HG2 MET 44 -3.347 1.774 -13.546 346 2HG MET 44 HG1 MET 44 -1.858 1.337 -14.382 347 1HE MET 44 HE1 MET 44 -4.202 2.497 -17.301 348 2HE MET 44 HE2 MET 44 -2.746 2.835 -16.364 349 3HE MET 44 HE3 MET 44 -4.336 3.122 -15.656 350 H LYS 45 HN LYS 45 -0.729 -2.268 -11.898 351 HA LYS 45 HA LYS 45 -2.628 -3.780 -10.365 352 1HB LYS 45 HB2 LYS 45 -0.295 -4.318 -11.951 353 2HB LYS 45 HB1 LYS 45 -0.123 -5.099 -10.383 354 1HG LYS 45 HG2 LYS 45 -1.683 -6.631 -10.844 355 2HG LYS 45 HG1 LYS 45 -2.758 -5.451 -11.599 356 1HD LYS 45 HD2 LYS 45 -0.919 -5.518 -13.496 357 2HD LYS 45 HD1 LYS 45 -0.601 -7.111 -12.805 358 1HE LYS 45 HE2 LYS 45 -3.125 -7.492 -13.001 359 2HE LYS 45 HE1 LYS 45 -3.129 -6.076 -14.053 360 1HZ LYS 45 HZ1 LYS 45 -2.915 -7.905 -15.470 361 2HZ LYS 45 HZ2 LYS 45 -1.775 -8.670 -14.483 362 3HZ LYS 45 HZ3 LYS 45 -1.345 -7.285 -15.355 363 H SER 46 HN SER 46 0.218 -1.893 -9.713 364 HA SER 46 HA SER 46 0.839 -2.969 -7.167 365 1HB SER 46 HB2 SER 46 1.395 -0.097 -7.743 366 2HB SER 46 HB1 SER 46 2.446 -1.329 -7.041 367 HG SER 46 HG SER 46 2.847 -0.558 -9.308 368 H ILE 47 HN ILE 47 -0.956 -0.057 -8.155 369 HA ILE 47 HA ILE 47 -1.766 0.740 -5.599 370 HB ILE 47 HB ILE 47 -3.334 1.118 -8.154 371 1HG1 ILE 47 HG12 ILE 47 -1.640 3.325 -7.230 372 2HG1 ILE 47 HG11 ILE 47 -0.729 1.905 -7.731 373 1HG2 ILE 47 HG21 ILE 47 -4.106 3.186 -7.013 374 2HG2 ILE 47 HG22 ILE 47 -3.286 2.636 -5.552 375 3HG2 ILE 47 HG23 ILE 47 -4.625 1.699 -6.217 376 1HD1 ILE 47 HD11 ILE 47 -2.664 3.522 -9.358 377 2HD1 ILE 47 HD12 ILE 47 -2.037 1.956 -9.871 378 3HD1 ILE 47 HD13 ILE 47 -0.933 3.308 -9.618 379 H ASP 48 HN ASP 48 -3.254 -1.454 -7.943 380 HA ASP 48 HA ASP 48 -5.649 -1.922 -6.536 381 1HB ASP 48 HB2 ASP 48 -4.198 -3.170 -8.773 382 2HB ASP 48 HB1 ASP 48 -5.200 -4.289 -7.848 383 H CYS 49 HN CYS 49 -2.430 -2.941 -6.032 384 HA CYS 49 HA CYS 49 -3.132 -5.189 -4.335 385 1HB CYS 49 HB2 CYS 49 -0.599 -4.021 -5.389 386 2HB CYS 49 HB1 CYS 49 -0.513 -4.944 -3.890 387 HG CYS 49 HG CYS 49 -0.885 -7.328 -4.897 388 H ILE 50 HN ILE 50 -1.662 -1.959 -3.988 389 HA ILE 50 HA ILE 50 -1.374 -2.047 -1.189 390 HB ILE 50 HB ILE 50 -0.483 -0.340 -3.025 391 1HG1 ILE 50 HG12 ILE 50 -1.096 0.776 -0.297 392 2HG1 ILE 50 HG11 ILE 50 0.019 -0.577 -0.495 393 1HG2 ILE 50 HG21 ILE 50 -1.631 1.643 -3.268 394 2HG2 ILE 50 HG22 ILE 50 -2.589 1.391 -1.808 395 3HG2 ILE 50 HG23 ILE 50 -2.942 0.464 -3.266 396 1HD1 ILE 50 HD11 ILE 50 0.574 1.653 -2.286 397 2HD1 ILE 50 HD12 ILE 50 1.654 0.744 -1.228 398 3HD1 ILE 50 HD13 ILE 50 0.688 2.067 -0.576 399 H ARG 51 HN ARG 51 -4.085 -1.618 -3.229 400 HA ARG 51 HA ARG 51 -5.738 -0.245 -1.314 401 1HB ARG 51 HB2 ARG 51 -6.148 -1.448 -4.020 402 2HB ARG 51 HB1 ARG 51 -7.556 -1.133 -3.017 403 1HG ARG 51 HG2 ARG 51 -5.761 1.137 -3.099 404 2HG ARG 51 HG1 ARG 51 -6.300 0.653 -4.709 405 1HD ARG 51 HD2 ARG 51 -8.020 2.039 -4.151 406 2HD ARG 51 HD1 ARG 51 -8.644 0.532 -3.481 407 HE ARG 51 HE ARG 51 -7.397 1.490 -1.363 408 1HH1 ARG 51 HH11 ARG 51 -9.403 3.157 -3.674 409 2HH1 ARG 51 HH12 ARG 51 -9.962 4.334 -2.533 410 1HH2 ARG 51 HH21 ARG 51 -8.128 3.037 0.145 411 2HH2 ARG 51 HH22 ARG 51 -9.236 4.266 -0.363 412 H ALA 52 HN ALA 52 -5.730 -3.523 -2.710 413 HA ALA 52 HA ALA 52 -7.669 -4.604 -0.995 414 1HB ALA 52 HB1 ALA 52 -6.970 -5.711 -3.054 415 2HB ALA 52 HB2 ALA 52 -6.804 -6.793 -1.672 416 3HB ALA 52 HB3 ALA 52 -5.378 -6.017 -2.360 417 H PHE 53 HN PHE 53 -4.240 -4.111 -0.609 418 HA PHE 53 HA PHE 53 -3.920 -5.731 1.714 419 1HB PHE 53 HB2 PHE 53 -2.164 -4.735 -0.004 420 2HB PHE 53 HB1 PHE 53 -2.118 -3.414 1.159 421 HD1 PHE 53 HD1 PHE 53 -0.063 -5.692 0.240 422 HD2 PHE 53 HD2 PHE 53 -2.446 -4.971 3.692 423 HE1 PHE 53 HE1 PHE 53 1.538 -6.961 1.609 424 HE2 PHE 53 HE2 PHE 53 -0.848 -6.240 5.065 425 HZ PHE 53 HZ PHE 53 1.148 -7.234 4.024 426 H ARG 54 HN ARG 54 -4.032 -2.189 1.267 427 HA ARG 54 HA ARG 54 -3.980 -1.477 3.954 428 1HB ARG 54 HB2 ARG 54 -4.994 -0.155 1.475 429 2HB ARG 54 HB1 ARG 54 -5.381 0.560 3.036 430 1HG ARG 54 HG2 ARG 54 -2.909 0.523 3.529 431 2HG ARG 54 HG1 ARG 54 -2.669 0.114 1.827 432 1HD ARG 54 HD2 ARG 54 -4.245 2.208 1.476 433 2HD ARG 54 HD1 ARG 54 -3.620 2.648 3.067 434 HE ARG 54 HE ARG 54 -1.497 1.925 1.349 435 1HH1 ARG 54 HH11 ARG 54 -3.789 4.484 1.928 436 2HH1 ARG 54 HH12 ARG 54 -2.768 5.721 1.274 437 1HH2 ARG 54 HH21 ARG 54 -0.145 3.547 0.488 438 2HH2 ARG 54 HH22 ARG 54 -0.697 5.189 0.455 439 H GLU 55 HN GLU 55 -6.738 -2.267 1.888 440 HA GLU 55 HA GLU 55 -8.759 -1.584 3.706 441 1HB GLU 55 HB2 GLU 55 -8.566 -3.245 1.261 442 2HB GLU 55 HB1 GLU 55 -9.935 -3.565 2.316 443 1HG GLU 55 HG2 GLU 55 -10.544 -1.181 2.200 444 2HG GLU 55 HG1 GLU 55 -9.213 -0.922 1.071 445 H GLU 56 HN GLU 56 -7.417 -4.814 2.980 446 HA GLU 56 HA GLU 56 -8.853 -6.105 5.055 447 1HB GLU 56 HB2 GLU 56 -6.521 -6.885 3.335 448 2HB GLU 56 HB1 GLU 56 -7.069 -7.931 4.640 449 1HG GLU 56 HG2 GLU 56 -9.318 -7.120 3.082 450 2HG GLU 56 HG1 GLU 56 -8.062 -7.748 2.016 451 H ALA 57 HN ALA 57 -5.799 -4.421 5.011 452 HA ALA 57 HA ALA 57 -4.934 -5.611 7.513 453 1HB ALA 57 HB1 ALA 57 -3.619 -3.364 6.005 454 2HB ALA 57 HB2 ALA 57 -3.349 -5.072 5.654 455 3HB ALA 57 HB3 ALA 57 -2.902 -4.414 7.228 456 H ILE 58 HN ILE 58 -5.401 -2.251 6.402 457 HA ILE 58 HA ILE 58 -5.262 -1.039 8.890 458 HB ILE 58 HB ILE 58 -6.956 -0.110 6.571 459 1HG1 ILE 58 HG12 ILE 58 -4.701 -0.458 5.795 460 2HG1 ILE 58 HG11 ILE 58 -4.940 1.274 6.012 461 1HG2 ILE 58 HG21 ILE 58 -6.425 2.153 7.575 462 2HG2 ILE 58 HG22 ILE 58 -5.887 1.283 9.011 463 3HG2 ILE 58 HG23 ILE 58 -7.560 1.146 8.473 464 1HD1 ILE 58 HD11 ILE 58 -2.825 0.865 6.880 465 2HD1 ILE 58 HD12 ILE 58 -3.333 -0.624 7.675 466 3HD1 ILE 58 HD13 ILE 58 -3.858 0.937 8.306 467 H LYS 59 HN LYS 59 -8.065 -2.491 7.298 468 HA LYS 59 HA LYS 59 -10.038 -1.529 9.021 469 1HB LYS 59 HB2 LYS 59 -9.815 -3.916 7.245 470 2HB LYS 59 HB1 LYS 59 -11.148 -3.839 8.389 471 1HG LYS 59 HG2 LYS 59 -11.537 -1.477 7.391 472 2HG LYS 59 HG1 LYS 59 -10.569 -2.086 6.044 473 1HD LYS 59 HD2 LYS 59 -12.114 -3.856 5.638 474 2HD LYS 59 HD1 LYS 59 -12.989 -3.516 7.132 475 1HE LYS 59 HE2 LYS 59 -14.000 -1.632 6.269 476 2HE LYS 59 HE1 LYS 59 -12.739 -1.380 5.064 477 1HZ LYS 59 HZ1 LYS 59 -14.705 -2.135 3.972 478 2HZ LYS 59 HZ2 LYS 59 -14.857 -3.458 5.015 479 3HZ LYS 59 HZ3 LYS 59 -13.572 -3.391 3.917 480 H PHE 60 HN PHE 60 -7.973 -4.418 9.300 481 HA PHE 60 HA PHE 60 -8.039 -4.339 12.119 482 1HB PHE 60 HB2 PHE 60 -9.268 -6.521 12.491 483 2HB PHE 60 HB1 PHE 60 -10.271 -5.137 12.073 484 HD1 PHE 60 HD1 PHE 60 -9.225 -8.460 11.152 485 HD2 PHE 60 HD2 PHE 60 -11.191 -4.954 9.761 486 HE1 PHE 60 HE1 PHE 60 -10.240 -9.759 9.326 487 HE2 PHE 60 HE2 PHE 60 -12.208 -6.245 7.930 488 HZ PHE 60 HZ PHE 60 -11.733 -8.652 7.712 489 H SER 61 HN SER 61 -5.788 -4.462 11.444 490 HA SER 61 HA SER 61 -4.699 -6.997 11.898 491 1HB SER 61 HB2 SER 61 -5.224 -6.349 9.080 492 2HB SER 61 HB1 SER 61 -3.573 -6.874 9.407 493 HG SER 61 HG SER 61 -5.231 -8.467 10.737 494 H GLU 62 HN GLU 62 -2.961 -5.392 9.441 495 HA GLU 62 HA GLU 62 -1.142 -4.324 11.481 496 1HB GLU 62 HB2 GLU 62 -0.779 -5.475 8.767 497 2HB GLU 62 HB1 GLU 62 0.339 -4.208 9.256 498 1HG GLU 62 HG2 GLU 62 1.171 -6.483 9.711 499 2HG GLU 62 HG1 GLU 62 1.045 -5.483 11.160 500 H GLU 63 HN GLU 63 -2.385 -2.414 11.795 501 HA GLU 63 HA GLU 63 -2.757 -0.578 9.605 502 1HB GLU 63 HB2 GLU 63 -3.472 0.984 11.495 503 2HB GLU 63 HB1 GLU 63 -4.437 -0.464 11.243 504 1HG GLU 63 HG2 GLU 63 -2.380 -1.092 13.091 505 2HG GLU 63 HG1 GLU 63 -3.141 0.416 13.601 506 H GLN 64 HN GLN 64 -0.715 -0.629 12.526 507 HA GLN 64 HA GLN 64 0.618 1.816 11.905 508 1HB GLN 64 HB2 GLN 64 1.307 -0.437 13.799 509 2HB GLN 64 HB1 GLN 64 2.233 1.053 13.683 510 1HG GLN 64 HG2 GLN 64 0.179 2.314 14.264 511 2HG GLN 64 HG1 GLN 64 -0.647 0.776 14.508 512 1HE2 GLN 64 HE21 GLN 64 -0.872 0.389 16.584 513 2HE2 GLN 64 HE22 GLN 64 0.313 0.665 17.810 514 H ARG 65 HN ARG 65 1.028 -1.432 10.852 515 HA ARG 65 HA ARG 65 3.797 -1.218 10.151 516 1HB ARG 65 HB2 ARG 65 2.889 -3.415 10.521 517 2HB ARG 65 HB1 ARG 65 1.634 -3.153 9.318 518 1HG ARG 65 HG2 ARG 65 3.367 -3.049 7.571 519 2HG ARG 65 HG1 ARG 65 4.588 -3.402 8.795 520 1HD ARG 65 HD2 ARG 65 2.530 -5.336 9.036 521 2HD ARG 65 HD1 ARG 65 2.954 -5.213 7.328 522 HE ARG 65 HE ARG 65 5.253 -5.393 9.019 523 1HH1 ARG 65 HH11 ARG 65 2.753 -7.245 7.449 524 2HH1 ARG 65 HH12 ARG 65 3.692 -8.698 7.381 525 1HH2 ARG 65 HH21 ARG 65 6.496 -7.303 8.937 526 2HH2 ARG 65 HH22 ARG 65 5.820 -8.731 8.228 527 H PHE 66 HN PHE 66 0.864 -0.136 8.818 528 HA PHE 66 HA PHE 66 1.875 0.040 6.102 529 1HB PHE 66 HB2 PHE 66 -0.727 0.055 7.318 530 2HB PHE 66 HB1 PHE 66 -0.530 1.509 6.339 531 HD1 PHE 66 HD1 PHE 66 0.796 0.909 4.015 532 HD2 PHE 66 HD2 PHE 66 -1.749 -1.681 6.235 533 HE1 PHE 66 HE1 PHE 66 0.369 -0.407 1.982 534 HE2 PHE 66 HE2 PHE 66 -2.180 -3.002 4.206 535 HZ PHE 66 HZ PHE 66 -1.119 -2.365 2.077 536 H ASN 67 HN ASN 67 0.929 2.216 8.751 537 HA ASN 67 HA ASN 67 1.667 4.587 7.348 538 1HB ASN 67 HB2 ASN 67 1.815 5.460 9.848 539 2HB ASN 67 HB1 ASN 67 0.260 5.148 9.090 540 1HD2 ASN 67 HD21 ASN 67 -1.068 3.758 10.034 541 2HD2 ASN 67 HD22 ASN 67 -0.665 2.767 11.389 542 H ASN 68 HN ASN 68 3.335 2.113 8.914 543 HA ASN 68 HA ASN 68 5.707 3.597 9.599 544 1HB ASN 68 HB2 ASN 68 5.133 1.500 10.766 545 2HB ASN 68 HB1 ASN 68 5.322 0.611 9.257 546 1HD2 ASN 68 HD21 ASN 68 7.333 0.089 8.542 547 2HD2 ASN 68 HD22 ASN 68 8.776 0.381 9.447 548 H PHE 69 HN PHE 69 5.059 1.074 7.164 549 HA PHE 69 HA PHE 69 7.373 1.565 5.650 550 1HB PHE 69 HB2 PHE 69 5.603 -0.410 5.616 551 2HB PHE 69 HB1 PHE 69 4.917 0.539 4.298 552 HD1 PHE 69 HD1 PHE 69 6.045 0.737 2.191 553 HD2 PHE 69 HD2 PHE 69 7.825 -1.393 5.417 554 HE1 PHE 69 HE1 PHE 69 7.693 -0.229 0.640 555 HE2 PHE 69 HE2 PHE 69 9.476 -2.362 3.872 556 HZ PHE 69 HZ PHE 69 9.412 -1.781 1.480 557 H LEU 70 HN LEU 70 4.240 3.061 5.638 558 HA LEU 70 HA LEU 70 4.441 4.352 3.115 559 1HB LEU 70 HB2 LEU 70 2.633 4.452 5.410 560 2HB LEU 70 HB1 LEU 70 2.838 6.011 4.633 561 HG LEU 70 HG LEU 70 1.839 3.469 3.344 562 1HD1 LEU 70 HD11 LEU 70 0.544 5.556 4.743 563 2HD1 LEU 70 HD12 LEU 70 -0.182 4.206 3.869 564 3HD1 LEU 70 HD13 LEU 70 0.136 5.728 3.035 565 1HD2 LEU 70 HD21 LEU 70 2.533 6.142 2.145 566 2HD2 LEU 70 HD22 LEU 70 1.464 4.979 1.359 567 3HD2 LEU 70 HD23 LEU 70 3.145 4.552 1.687 568 H LYS 71 HN LYS 71 5.104 5.450 6.430 569 HA LYS 71 HA LYS 71 5.879 8.049 5.856 570 1HB LYS 71 HB2 LYS 71 6.534 6.121 8.040 571 2HB LYS 71 HB1 LYS 71 7.447 7.619 7.938 572 1HG LYS 71 HG2 LYS 71 4.562 8.001 7.729 573 2HG LYS 71 HG1 LYS 71 5.079 7.281 9.258 574 1HD LYS 71 HD2 LYS 71 6.783 9.132 9.420 575 2HD LYS 71 HD1 LYS 71 5.975 9.890 8.046 576 1HE LYS 71 HE2 LYS 71 3.888 9.971 9.312 577 2HE LYS 71 HE1 LYS 71 4.684 9.197 10.682 578 1HZ LYS 71 HZ1 LYS 71 6.133 11.095 10.897 579 2HZ LYS 71 HZ2 LYS 71 4.524 11.611 10.934 580 3HZ LYS 71 HZ3 LYS 71 5.448 11.828 9.534 581 H ALA 72 HN ALA 72 7.791 5.068 5.832 582 HA ALA 72 HA ALA 72 10.250 6.384 5.200 583 1HB ALA 72 HB1 ALA 72 10.357 4.272 6.306 584 2HB ALA 72 HB2 ALA 72 11.044 4.064 4.695 585 3HB ALA 72 HB3 ALA 72 9.410 3.494 5.038 586 H LEU 73 HN LEU 73 7.841 4.600 3.318 587 HA LEU 73 HA LEU 73 9.112 4.606 0.848 588 1HB LEU 73 HB2 LEU 73 7.116 3.302 1.254 589 2HB LEU 73 HB1 LEU 73 6.169 4.760 1.501 590 HG LEU 73 HG LEU 73 6.692 5.358 -0.911 591 1HD1 LEU 73 HD11 LEU 73 7.148 3.240 -2.293 592 2HD1 LEU 73 HD12 LEU 73 7.796 2.575 -0.793 593 3HD1 LEU 73 HD13 LEU 73 8.509 4.027 -1.495 594 1HD2 LEU 73 HD21 LEU 73 4.510 4.682 -0.545 595 2HD2 LEU 73 HD22 LEU 73 4.986 3.057 -0.054 596 3HD2 LEU 73 HD23 LEU 73 5.065 3.524 -1.753 597 H GLN 74 HN GLN 74 6.851 6.995 2.192 598 HA GLN 74 HA GLN 74 6.734 8.747 0.047 599 1HB GLN 74 HB2 GLN 74 5.423 8.813 2.242 600 2HB GLN 74 HB1 GLN 74 6.803 9.672 2.913 601 1HG GLN 74 HG2 GLN 74 5.664 10.708 0.388 602 2HG GLN 74 HG1 GLN 74 4.709 10.915 1.855 603 1HE2 GLN 74 HE21 GLN 74 6.940 12.335 -0.068 604 2HE2 GLN 74 HE22 GLN 74 7.667 13.417 1.067 605 H GLU 75 HN GLU 75 8.995 8.790 2.796 606 HA GLU 75 HA GLU 75 10.508 10.983 1.871 607 1HB GLU 75 HB2 GLU 75 11.038 8.760 3.821 608 2HB GLU 75 HB1 GLU 75 12.311 9.897 3.397 609 1HG GLU 75 HG2 GLU 75 10.999 11.743 4.206 610 2HG GLU 75 HG1 GLU 75 9.626 10.679 4.507 611 H LYS 76 HN LYS 76 10.525 7.599 1.118 612 HA LYS 76 HA LYS 76 13.109 7.493 -0.070 613 1HB LYS 76 HB2 LYS 76 11.301 5.615 0.696 614 2HB LYS 76 HB1 LYS 76 11.064 5.604 -1.046 615 1HG LYS 76 HG2 LYS 76 13.215 4.871 -1.467 616 2HG LYS 76 HG1 LYS 76 13.820 5.432 0.093 617 1HD LYS 76 HD2 LYS 76 12.660 3.663 1.238 618 2HD LYS 76 HD1 LYS 76 11.860 3.167 -0.254 619 1HE LYS 76 HE2 LYS 76 13.542 1.652 -0.289 620 2HE LYS 76 HE1 LYS 76 14.403 2.986 -1.056 621 1HZ LYS 76 HZ1 LYS 76 14.497 2.281 1.828 622 2HZ LYS 76 HZ2 LYS 76 15.299 3.590 1.117 623 3HZ LYS 76 HZ3 LYS 76 15.725 2.008 0.696 624 H VAL 77 HN VAL 77 9.819 7.839 -1.402 625 HA VAL 77 HA VAL 77 10.584 7.901 -4.103 626 HB VAL 77 HB VAL 77 8.347 7.803 -4.212 627 1HG1 VAL 77 HG11 VAL 77 7.090 9.289 -2.259 628 2HG1 VAL 77 HG12 VAL 77 8.538 8.678 -1.461 629 3HG1 VAL 77 HG13 VAL 77 7.410 7.555 -2.217 630 1HG2 VAL 77 HG21 VAL 77 7.194 9.865 -4.609 631 2HG2 VAL 77 HG22 VAL 77 8.842 10.018 -5.221 632 3HG2 VAL 77 HG23 VAL 77 8.397 10.769 -3.688 633 H GLU 78 HN GLU 78 10.613 10.338 -1.602 634 HA GLU 78 HA GLU 78 11.015 12.593 -3.260 635 1HB GLU 78 HB2 GLU 78 11.635 11.989 -0.379 636 2HB GLU 78 HB1 GLU 78 12.157 13.499 -1.112 637 1HG GLU 78 HG2 GLU 78 9.797 13.960 -1.714 638 2HG GLU 78 HG1 GLU 78 9.331 12.510 -0.826 639 H ILE 79 HN ILE 79 13.090 10.134 -1.956 640 HA ILE 79 HA ILE 79 15.586 11.357 -2.570 641 HB ILE 79 HB ILE 79 15.144 8.378 -2.504 642 1HG1 ILE 79 HG12 ILE 79 14.052 9.220 -0.528 643 2HG1 ILE 79 HG11 ILE 79 15.596 8.522 -0.051 644 1HG2 ILE 79 HG21 ILE 79 17.483 10.185 -1.970 645 2HG2 ILE 79 HG22 ILE 79 17.340 8.897 -3.166 646 3HG2 ILE 79 HG23 ILE 79 17.450 8.500 -1.452 647 1HD1 ILE 79 HD11 ILE 79 14.886 11.431 -0.284 648 2HD1 ILE 79 HD12 ILE 79 16.536 10.847 -0.071 649 3HD1 ILE 79 HD13 ILE 79 15.321 10.530 1.167 650 H LYS 80 HN LYS 80 13.185 10.468 -4.589 651 HA LYS 80 HA LYS 80 13.022 10.377 -6.832 652 1HB LYS 80 HB2 LYS 80 14.587 11.491 -7.964 653 2HB LYS 80 HB1 LYS 80 15.477 11.594 -6.456 654 1HG LYS 80 HG2 LYS 80 16.897 9.833 -7.038 655 2HG LYS 80 HG1 LYS 80 15.815 9.262 -8.309 656 1HD LYS 80 HD2 LYS 80 17.256 10.353 -9.660 657 2HD LYS 80 HD1 LYS 80 16.311 11.766 -9.186 658 1HE LYS 80 HE2 LYS 80 18.029 11.787 -7.176 659 2HE LYS 80 HE1 LYS 80 19.032 10.917 -8.336 660 1HZ LYS 80 HZ1 LYS 80 18.188 13.693 -8.329 661 2HZ LYS 80 HZ2 LYS 80 18.150 12.930 -9.840 662 3HZ LYS 80 HZ3 LYS 80 19.593 12.988 -8.958 663 H GLN 81 HN GLN 81 12.245 8.530 -7.432 664 HA GLN 81 HA GLN 81 13.711 6.411 -8.465 665 1HB GLN 81 HB2 GLN 81 13.529 6.340 -5.591 666 2HB GLN 81 HB1 GLN 81 12.665 4.970 -6.277 667 1HG GLN 81 HG2 GLN 81 14.698 4.426 -7.594 668 2HG GLN 81 HG1 GLN 81 15.541 5.714 -6.736 669 1HE2 GLN 81 HE21 GLN 81 16.931 4.715 -5.446 670 2HE2 GLN 81 HE22 GLN 81 16.541 3.457 -4.328 671 H LEU 82 HN LEU 82 10.793 7.197 -6.617 672 HA LEU 82 HA LEU 82 9.182 6.032 -8.760 673 1HB LEU 82 HB2 LEU 82 7.669 5.212 -6.740 674 2HB LEU 82 HB1 LEU 82 8.938 4.211 -7.424 675 HG LEU 82 HG LEU 82 9.982 5.877 -5.304 676 1HD1 LEU 82 HD11 LEU 82 7.749 4.001 -4.546 677 2HD1 LEU 82 HD12 LEU 82 7.667 5.761 -4.479 678 3HD1 LEU 82 HD13 LEU 82 8.797 4.891 -3.442 679 1HD2 LEU 82 HD21 LEU 82 11.269 4.079 -5.056 680 2HD2 LEU 82 HD22 LEU 82 10.427 3.386 -6.443 681 3HD2 LEU 82 HD23 LEU 82 9.873 3.029 -4.806 682 H ASN 83 HN ASN 83 9.600 8.686 -8.471 683 HA ASN 83 HA ASN 83 7.766 10.033 -6.797 684 1HB ASN 83 HB2 ASN 83 8.542 11.290 -9.374 685 2HB ASN 83 HB1 ASN 83 8.562 11.956 -7.744 686 1HD2 ASN 83 HD21 ASN 83 10.273 9.980 -10.053 687 2HD2 ASN 83 HD22 ASN 83 11.814 10.063 -9.277 688 H HIS 84 HN HIS 84 7.317 8.199 -9.594 689 HA HIS 84 HA HIS 84 5.010 9.588 -10.601 690 1HB HIS 84 HB2 HIS 84 5.363 6.757 -11.349 691 2HB HIS 84 HB1 HIS 84 5.131 8.172 -12.368 692 HD1 HIS 84 HD1 HIS 84 7.869 6.385 -10.459 693 HD2 HIS 84 HD2 HIS 84 7.408 9.111 -13.560 694 HE1 HIS 84 HE1 HIS 84 10.168 6.697 -11.427 695 HE2 HIS 84 HE2 HIS 84 9.880 8.422 -13.239 696 H PHE 85 HN PHE 85 5.612 6.811 -8.515 697 HA PHE 85 HA PHE 85 2.940 5.885 -8.413 698 1HB PHE 85 HB2 PHE 85 5.098 4.678 -7.667 699 2HB PHE 85 HB1 PHE 85 4.900 5.557 -6.152 700 HD1 PHE 85 HD1 PHE 85 3.792 4.475 -4.456 701 HD2 PHE 85 HD2 PHE 85 2.843 3.494 -8.488 702 HE1 PHE 85 HE1 PHE 85 2.220 2.750 -3.662 703 HE2 PHE 85 HE2 PHE 85 1.272 1.772 -7.703 704 HZ PHE 85 HZ PHE 85 0.960 1.399 -5.289 705 H TRP 86 HN TRP 86 4.606 8.478 -6.820 706 HA TRP 86 HA TRP 86 2.732 8.764 -4.678 707 1HB TRP 86 HB2 TRP 86 5.163 9.556 -4.722 708 2HB TRP 86 HB1 TRP 86 4.593 10.900 -5.706 709 HD1 TRP 86 HD1 TRP 86 4.365 12.963 -4.268 710 HE1 TRP 86 HE1 TRP 86 3.538 13.494 -1.883 711 HE3 TRP 86 HE3 TRP 86 3.271 8.222 -2.727 712 HZ2 TRP 86 HZ2 TRP 86 2.551 12.073 0.355 713 HZ3 TRP 86 HZ3 TRP 86 2.390 7.887 -0.455 714 HH2 TRP 86 HH2 TRP 86 2.036 9.774 1.052 715 H GLU 87 HN GLU 87 3.385 10.628 -7.650 716 HA GLU 87 HA GLU 87 1.202 12.380 -7.390 717 1HB GLU 87 HB2 GLU 87 2.779 11.456 -9.791 718 2HB GLU 87 HB1 GLU 87 1.491 12.647 -9.912 719 1HG GLU 87 HG2 GLU 87 2.671 14.167 -8.498 720 2HG GLU 87 HG1 GLU 87 3.895 12.952 -8.131 721 H ILE 88 HN ILE 88 1.390 9.097 -8.220 722 HA ILE 88 HA ILE 88 -1.125 9.029 -9.675 723 HB ILE 88 HB ILE 88 0.834 6.902 -8.843 724 1HG1 ILE 88 HG12 ILE 88 -0.291 7.512 -11.575 725 2HG1 ILE 88 HG11 ILE 88 1.108 8.366 -10.926 726 1HG2 ILE 88 HG21 ILE 88 -1.994 6.561 -9.767 727 2HG2 ILE 88 HG22 ILE 88 -1.136 5.730 -8.468 728 3HG2 ILE 88 HG23 ILE 88 -0.768 5.354 -10.151 729 1HD1 ILE 88 HD11 ILE 88 2.183 6.103 -10.625 730 2HD1 ILE 88 HD12 ILE 88 1.949 6.646 -12.288 731 3HD1 ILE 88 HD13 ILE 88 0.858 5.450 -11.588 732 H VAL 89 HN VAL 89 0.090 7.426 -6.732 733 HA VAL 89 HA VAL 89 -2.270 6.513 -5.694 734 HB VAL 89 HB VAL 89 0.148 7.578 -4.240 735 1HG1 VAL 89 HG11 VAL 89 -2.336 6.297 -3.137 736 2HG1 VAL 89 HG12 VAL 89 -1.540 7.783 -2.619 737 3HG1 VAL 89 HG13 VAL 89 -0.788 6.221 -2.294 738 1HG2 VAL 89 HG21 VAL 89 0.160 5.469 -5.742 739 2HG2 VAL 89 HG22 VAL 89 -0.727 4.722 -4.414 740 3HG2 VAL 89 HG23 VAL 89 0.884 5.382 -4.137 741 H VAL 90 HN VAL 90 -1.081 9.811 -5.686 742 HA VAL 90 HA VAL 90 -3.053 10.729 -3.791 743 HB VAL 90 HB VAL 90 -0.891 11.888 -3.978 744 1HG1 VAL 90 HG11 VAL 90 -0.223 13.136 -5.851 745 2HG1 VAL 90 HG12 VAL 90 -1.808 12.997 -6.613 746 3HG1 VAL 90 HG13 VAL 90 -0.760 11.583 -6.495 747 1HG2 VAL 90 HG21 VAL 90 -2.997 13.032 -3.210 748 2HG2 VAL 90 HG22 VAL 90 -3.110 13.739 -4.822 749 3HG2 VAL 90 HG23 VAL 90 -1.723 14.103 -3.795 750 H GLN 91 HN GLN 91 -2.532 11.145 -7.281 751 HA GLN 91 HA GLN 91 -4.808 12.553 -7.923 752 1HB GLN 91 HB2 GLN 91 -2.879 11.864 -9.445 753 2HB GLN 91 HB1 GLN 91 -3.728 10.339 -9.661 754 1HG GLN 91 HG2 GLN 91 -5.635 11.499 -10.598 755 2HG GLN 91 HG1 GLN 91 -4.855 13.054 -10.311 756 1HE2 GLN 91 HE21 GLN 91 -3.009 13.600 -11.544 757 2HE2 GLN 91 HE22 GLN 91 -2.712 12.862 -13.077 758 H ASP 92 HN ASP 92 -4.463 9.095 -7.347 759 HA ASP 92 HA ASP 92 -7.069 8.379 -8.224 760 1HB ASP 92 HB2 ASP 92 -4.933 7.028 -6.613 761 2HB ASP 92 HB1 ASP 92 -6.540 6.316 -6.703 762 H GLY 93 HN GLY 93 -6.349 10.395 -5.836 763 1HA GLY 93 HA2 GLY 93 -7.666 11.267 -4.157 764 2HA GLY 93 HA1 GLY 93 -8.871 10.039 -4.525 765 H ILE 94 HN ILE 94 -6.095 8.356 -4.098 766 HA ILE 94 HA ILE 94 -6.906 7.358 -1.556 767 HB ILE 94 HB ILE 94 -4.203 6.873 -2.785 768 1HG1 ILE 94 HG12 ILE 94 -6.703 5.312 -3.447 769 2HG1 ILE 94 HG11 ILE 94 -6.089 6.609 -4.470 770 1HG2 ILE 94 HG21 ILE 94 -4.663 6.024 -0.512 771 2HG2 ILE 94 HG22 ILE 94 -4.364 4.735 -1.678 772 3HG2 ILE 94 HG23 ILE 94 -6.012 5.092 -1.161 773 1HD1 ILE 94 HD11 ILE 94 -5.415 4.404 -5.268 774 2HD1 ILE 94 HD12 ILE 94 -4.589 4.104 -3.739 775 3HD1 ILE 94 HD13 ILE 94 -4.024 5.386 -4.811 776 H THR 95 HN THR 95 -6.110 7.750 0.458 777 HA THR 95 HA THR 95 -3.903 9.682 0.691 778 HB THR 95 HB THR 95 -5.919 10.951 1.074 779 HG1 THR 95 HG1 THR 95 -5.079 10.488 3.709 780 1HG2 THR 95 HG21 THR 95 -7.410 9.073 1.623 781 2HG2 THR 95 HG22 THR 95 -7.522 10.369 2.816 782 3HG2 THR 95 HG23 THR 95 -6.610 8.906 3.186 783 H LEU 96 HN LEU 96 -2.993 9.770 2.908 784 HA LEU 96 HA LEU 96 -2.064 7.276 3.715 785 1HB LEU 96 HB2 LEU 96 -1.996 10.028 4.837 786 2HB LEU 96 HB1 LEU 96 -1.567 8.704 5.910 787 HG LEU 96 HG LEU 96 0.222 10.028 4.423 788 1HD1 LEU 96 HD11 LEU 96 1.420 7.621 4.455 789 2HD1 LEU 96 HD12 LEU 96 0.099 7.331 5.587 790 3HD1 LEU 96 HD13 LEU 96 1.234 8.649 5.876 791 1HD2 LEU 96 HD21 LEU 96 -0.957 9.177 2.328 792 2HD2 LEU 96 HD22 LEU 96 -0.277 7.600 2.729 793 3HD2 LEU 96 HD23 LEU 96 0.791 8.966 2.412 794 H ILE 97 HN ILE 97 -2.166 6.679 6.169 795 HA ILE 97 HA ILE 97 -4.838 5.795 6.660 796 HB ILE 97 HB ILE 97 -2.166 5.308 7.801 797 1HG1 ILE 97 HG12 ILE 97 -3.200 2.977 7.947 798 2HG1 ILE 97 HG11 ILE 97 -4.611 3.668 7.150 799 1HG2 ILE 97 HG21 ILE 97 -3.114 5.994 9.853 800 2HG2 ILE 97 HG22 ILE 97 -3.166 4.231 9.850 801 3HG2 ILE 97 HG23 ILE 97 -4.630 5.156 9.517 802 1HD1 ILE 97 HD11 ILE 97 -3.335 2.677 5.450 803 2HD1 ILE 97 HD12 ILE 97 -1.830 3.357 6.069 804 3HD1 ILE 97 HD13 ILE 97 -3.028 4.409 5.315 805 H THR 98 HN THR 98 -6.379 6.806 7.783 806 HA THR 98 HA THR 98 -5.613 9.071 9.487 807 HB THR 98 HB THR 98 -8.453 8.874 9.121 808 HG1 THR 98 HG1 THR 98 -8.574 8.301 7.095 809 1HG2 THR 98 HG21 THR 98 -6.652 10.899 7.834 810 2HG2 THR 98 HG22 THR 98 -6.887 10.873 9.583 811 3HG2 THR 98 HG23 THR 98 -8.266 11.119 8.511 812 H LYS 99 HN LYS 99 -6.309 9.270 11.568 813 HA LYS 99 HA LYS 99 -6.342 7.379 13.374 814 1HB LYS 99 HB2 LYS 99 -6.650 9.729 13.934 815 2HB LYS 99 HB1 LYS 99 -8.313 9.662 13.374 816 1HG LYS 99 HG2 LYS 99 -8.702 7.905 15.152 817 2HG LYS 99 HG1 LYS 99 -7.123 8.356 15.797 818 1HD LYS 99 HD2 LYS 99 -8.326 10.789 15.474 819 2HD LYS 99 HD1 LYS 99 -9.687 9.763 15.933 820 1HE LYS 99 HE2 LYS 99 -8.509 9.040 17.923 821 2HE LYS 99 HE1 LYS 99 -7.085 9.965 17.446 822 1HZ LYS 99 HZ1 LYS 99 -8.464 11.989 17.590 823 2HZ LYS 99 HZ2 LYS 99 -8.307 11.192 19.074 824 3HZ LYS 99 HZ3 LYS 99 -9.743 11.058 18.191 825 H GLU 100 HN GLU 100 -9.640 8.502 12.864 826 HA GLU 100 HA GLU 100 -10.777 6.074 13.676 827 1HB GLU 100 HB2 GLU 100 -12.750 7.157 13.575 828 2HB GLU 100 HB1 GLU 100 -11.716 8.568 13.414 829 1HG GLU 100 HG2 GLU 100 -11.922 8.270 10.911 830 2HG GLU 100 HG1 GLU 100 -13.198 7.102 11.253 831 H GLU 101 HN GLU 101 -9.397 6.854 10.685 832 HA GLU 101 HA GLU 101 -11.065 5.300 8.992 833 1HB GLU 101 HB2 GLU 101 -9.220 7.091 8.434 834 2HB GLU 101 HB1 GLU 101 -8.161 5.686 8.393 835 1HG GLU 101 HG2 GLU 101 -10.124 4.769 6.839 836 2HG GLU 101 HG1 GLU 101 -10.319 6.499 6.544 837 H ALA 102 HN ALA 102 -9.991 4.048 11.527 838 HA ALA 102 HA ALA 102 -9.136 1.531 10.290 839 1HB ALA 102 HB1 ALA 102 -7.074 2.229 11.080 840 2HB ALA 102 HB2 ALA 102 -7.680 1.252 12.418 841 3HB ALA 102 HB3 ALA 102 -7.768 3.012 12.500 842 H SER 103 HN SER 103 -9.967 2.925 13.470 843 HA SER 103 HA SER 103 -12.363 1.523 13.805 844 1HB SER 103 HB2 SER 103 -11.498 -0.062 15.649 845 2HB SER 103 HB1 SER 103 -11.233 -0.539 13.972 846 HG SER 103 HG SER 103 -9.387 -0.645 15.525 847 H GLY 104 HN GLY 104 -9.502 2.824 15.395 848 1HA GLY 104 HA2 GLY 104 -10.674 4.914 16.712 849 2HA GLY 104 HA1 GLY 104 -10.877 3.552 17.810 850 H SER 105 HN SER 105 -8.245 4.532 15.651 851 HA SER 105 HA SER 105 -6.449 4.576 17.993 852 1HB SER 105 HB2 SER 105 -6.116 3.261 15.338 853 2HB SER 105 HB1 SER 105 -4.684 3.928 16.127 854 HG SER 105 HG SER 105 -6.029 1.660 16.678 855 H SER 106 HN SER 106 -5.364 6.343 18.358 856 HA SER 106 HA SER 106 -5.774 8.666 16.895 857 1HB SER 106 HB2 SER 106 -3.819 9.548 18.223 858 2HB SER 106 HB1 SER 106 -5.098 8.817 19.192 859 HG SER 106 HG SER 106 -3.580 7.598 19.960 860 H VAL 107 HN VAL 107 -4.707 9.658 15.337 861 HA VAL 107 HA VAL 107 -2.214 8.535 14.314 862 HB VAL 107 HB VAL 107 -4.754 8.787 12.741 863 1HG1 VAL 107 HG11 VAL 107 -2.049 9.500 11.824 864 2HG1 VAL 107 HG12 VAL 107 -3.623 9.948 11.169 865 3HG1 VAL 107 HG13 VAL 107 -2.926 8.374 10.788 866 1HG2 VAL 107 HG21 VAL 107 -4.175 6.619 11.951 867 2HG2 VAL 107 HG22 VAL 107 -3.925 6.619 13.697 868 3HG2 VAL 107 HG23 VAL 107 -2.543 6.752 12.608 869 H THR 108 HN THR 108 -0.804 9.989 13.731 870 HA THR 108 HA THR 108 -1.016 12.641 14.455 871 HB THR 108 HB THR 108 0.828 11.960 12.231 872 HG1 THR 108 HG1 THR 108 2.134 10.893 13.993 873 1HG2 THR 108 HG21 THR 108 1.131 13.301 14.916 874 2HG2 THR 108 HG22 THR 108 1.028 14.100 13.348 875 3HG2 THR 108 HG23 THR 108 2.429 13.102 13.740 876 H ALA 109 HN ALA 109 -1.194 14.562 13.340 877 HA ALA 109 HA ALA 109 -2.967 14.542 11.060 878 1HB ALA 109 HB1 ALA 109 -3.387 16.159 12.794 879 2HB ALA 109 HB2 ALA 109 -2.901 17.017 11.331 880 3HB ALA 109 HB3 ALA 109 -1.751 16.801 12.651 881 H GLU 110 HN GLU 110 0.301 14.409 11.545 882 HA GLU 110 HA GLU 110 1.118 15.999 9.252 883 1HB GLU 110 HB2 GLU 110 2.680 14.333 11.230 884 2HB GLU 110 HB1 GLU 110 3.414 15.182 9.878 885 1HG GLU 110 HG2 GLU 110 1.705 16.818 11.622 886 2HG GLU 110 HG1 GLU 110 3.178 16.194 12.361 887 H GLU 111 HN GLU 111 0.091 12.872 9.959 888 HA GLU 111 HA GLU 111 1.624 11.523 7.917 889 1HB GLU 111 HB2 GLU 111 1.162 10.079 9.672 890 2HB GLU 111 HB1 GLU 111 -0.463 10.714 9.906 891 1HG GLU 111 HG2 GLU 111 -1.341 9.468 8.176 892 2HG GLU 111 HG1 GLU 111 0.230 9.217 7.418 893 H ALA 112 HN ALA 112 -1.762 12.541 8.392 894 HA ALA 112 HA ALA 112 -2.445 11.658 5.722 895 1HB ALA 112 HB1 ALA 112 -4.714 12.682 6.448 896 2HB ALA 112 HB2 ALA 112 -3.984 12.697 8.055 897 3HB ALA 112 HB3 ALA 112 -4.159 11.175 7.179 898 H LYS 113 HN LYS 113 -2.278 14.741 7.493 899 HA LYS 113 HA LYS 113 -3.135 16.260 5.212 900 1HB LYS 113 HB2 LYS 113 -1.864 17.341 7.717 901 2HB LYS 113 HB1 LYS 113 -2.924 18.184 6.595 902 1HG LYS 113 HG2 LYS 113 -4.636 16.333 7.272 903 2HG LYS 113 HG1 LYS 113 -3.593 16.170 8.687 904 1HD LYS 113 HD2 LYS 113 -4.257 18.139 9.555 905 2HD LYS 113 HD1 LYS 113 -4.288 18.936 7.980 906 1HE LYS 113 HE2 LYS 113 -6.515 18.885 8.203 907 2HE LYS 113 HE1 LYS 113 -6.374 17.180 7.780 908 1HZ LYS 113 HZ1 LYS 113 -6.496 16.547 10.011 909 2HZ LYS 113 HZ2 LYS 113 -7.672 17.753 9.862 910 3HZ LYS 113 HZ3 LYS 113 -6.183 18.110 10.581 911 H LYS 114 HN LYS 114 0.006 15.858 6.875 912 HA LYS 114 HA LYS 114 1.359 17.729 5.234 913 1HB LYS 114 HB2 LYS 114 1.984 16.383 7.516 914 2HB LYS 114 HB1 LYS 114 2.983 15.544 6.338 915 1HG LYS 114 HG2 LYS 114 2.984 18.524 6.421 916 2HG LYS 114 HG1 LYS 114 3.917 17.607 7.607 917 1HD LYS 114 HD2 LYS 114 5.198 16.552 5.890 918 2HD LYS 114 HD1 LYS 114 4.148 17.203 4.630 919 1HE LYS 114 HE2 LYS 114 6.315 18.402 4.852 920 2HE LYS 114 HE1 LYS 114 4.902 19.436 5.069 921 1HZ LYS 114 HZ1 LYS 114 6.683 19.821 6.717 922 2HZ LYS 114 HZ2 LYS 114 6.458 18.249 7.301 923 3HZ LYS 114 HZ3 LYS 114 5.209 19.383 7.425 924 H PHE 115 HN PHE 115 0.951 14.218 4.993 925 HA PHE 115 HA PHE 115 2.756 13.796 2.884 926 1HB PHE 115 HB2 PHE 115 0.384 12.307 3.940 927 2HB PHE 115 HB1 PHE 115 1.127 11.793 2.426 928 HD1 PHE 115 HD1 PHE 115 2.486 9.984 2.688 929 HD2 PHE 115 HD2 PHE 115 2.409 12.937 5.749 930 HE1 PHE 115 HE1 PHE 115 4.169 8.713 3.948 931 HE2 PHE 115 HE2 PHE 115 4.096 11.671 7.017 932 HZ PHE 115 HZ PHE 115 4.973 9.553 6.116 933 H LEU 116 HN LEU 116 -0.747 14.423 2.825 934 HA LEU 116 HA LEU 116 -0.599 14.735 -0.087 935 1HB LEU 116 HB2 LEU 116 -2.852 14.253 1.830 936 2HB LEU 116 HB1 LEU 116 -3.174 14.898 0.232 937 HG LEU 116 HG LEU 116 -1.675 12.780 -0.460 938 1HD1 LEU 116 HD11 LEU 116 -3.027 12.015 2.120 939 2HD1 LEU 116 HD12 LEU 116 -1.301 11.964 1.760 940 3HD1 LEU 116 HD13 LEU 116 -2.406 10.861 0.940 941 1HD2 LEU 116 HD21 LEU 116 -4.078 13.493 -1.063 942 2HD2 LEU 116 HD22 LEU 116 -4.569 12.359 0.195 943 3HD2 LEU 116 HD23 LEU 116 -3.647 11.788 -1.196 944 H ALA 117 HN ALA 117 0.598 16.760 1.407 945 HA ALA 117 HA ALA 117 -1.198 18.953 1.791 946 1HB ALA 117 HB1 ALA 117 0.873 18.771 3.069 947 2HB ALA 117 HB2 ALA 117 0.827 20.276 2.152 948 3HB ALA 117 HB3 ALA 117 1.812 18.928 1.585 949 HA PRO 118 HA PRO 118 -1.472 20.575 -2.302 950 1HB PRO 118 HB2 PRO 118 -1.448 23.266 -1.815 951 2HB PRO 118 HB1 PRO 118 -2.854 22.233 -1.540 952 1HG PRO 118 HG2 PRO 118 -0.824 23.231 0.419 953 2HG PRO 118 HG1 PRO 118 -2.585 23.114 0.592 954 1HD PRO 118 HD2 PRO 118 -0.921 21.303 1.688 955 2HD PRO 118 HD1 PRO 118 -2.515 20.849 1.052 956 H LYS 119 HN LYS 119 0.722 22.695 -0.441 957 HA LYS 119 HA LYS 119 2.411 23.102 -2.732 958 1HB LYS 119 HB2 LYS 119 2.285 24.116 0.055 959 2HB LYS 119 HB1 LYS 119 3.862 24.141 -0.722 960 1HG LYS 119 HG2 LYS 119 2.911 25.441 -2.576 961 2HG LYS 119 HG1 LYS 119 1.351 25.447 -1.752 962 1HD LYS 119 HD2 LYS 119 2.608 26.489 0.222 963 2HD LYS 119 HD1 LYS 119 3.915 26.779 -0.928 964 1HE LYS 119 HE2 LYS 119 1.174 27.622 -1.700 965 2HE LYS 119 HE1 LYS 119 2.006 28.569 -0.468 966 1HZ LYS 119 HZ1 LYS 119 3.210 27.920 -3.099 967 2HZ LYS 119 HZ2 LYS 119 3.761 29.044 -1.960 968 3HZ LYS 119 HZ3 LYS 119 2.328 29.336 -2.810 969 H ASP 120 HN ASP 120 4.655 22.564 -2.852 970 HA ASP 120 HA ASP 120 5.223 19.961 -1.666 971 1HB ASP 120 HB2 ASP 120 6.316 21.500 -3.993 972 2HB ASP 120 HB1 ASP 120 7.279 20.210 -3.277 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -13.904 -16.129 -13.910 2 2H GLY 1 HT2 GLY 1 -13.816 -14.444 -14.020 3 3H GLY 1 HT3 GLY 1 -15.081 -15.169 -13.163 4 1HA GLY 1 HA1 GLY 1 -13.627 -14.418 -11.514 5 2HA GLY 1 HA2 GLY 1 -13.347 -16.148 -11.646 6 HA PRO 2 HA PRO 2 -9.673 -13.833 -13.999 7 1HB PRO 2 HB2 PRO 2 -9.829 -11.303 -12.443 8 2HB PRO 2 HB1 PRO 2 -9.411 -11.556 -14.142 9 1HG PRO 2 HG2 PRO 2 -11.783 -10.555 -13.463 10 2HG PRO 2 HG1 PRO 2 -11.629 -11.706 -14.804 11 1HD PRO 2 HD2 PRO 2 -12.630 -12.154 -12.023 12 2HD PRO 2 HD1 PRO 2 -13.206 -12.843 -13.555 13 H VAL 3 HN VAL 3 -7.561 -13.888 -13.212 14 HA VAL 3 HA VAL 3 -7.346 -14.562 -10.370 15 HB VAL 3 HB VAL 3 -5.231 -14.942 -12.486 16 1HG1 VAL 3 HG11 VAL 3 -4.481 -14.997 -10.145 17 2HG1 VAL 3 HG12 VAL 3 -4.315 -16.565 -10.934 18 3HG1 VAL 3 HG13 VAL 3 -5.646 -16.279 -9.814 19 1HG2 VAL 3 HG21 VAL 3 -6.002 -17.293 -12.596 20 2HG2 VAL 3 HG22 VAL 3 -7.193 -16.146 -13.211 21 3HG2 VAL 3 HG23 VAL 3 -7.394 -16.851 -11.607 22 H ASN 4 HN ASN 4 -6.702 -13.024 -9.026 23 HA ASN 4 HA ASN 4 -4.693 -11.085 -9.962 24 1HB ASN 4 HB2 ASN 4 -7.196 -10.317 -9.540 25 2HB ASN 4 HB1 ASN 4 -6.662 -10.292 -7.860 26 1HD2 ASN 4 HD21 ASN 4 -5.849 -9.100 -11.082 27 2HD2 ASN 4 HD22 ASN 4 -5.139 -7.618 -10.549 28 HA PRO 5 HA PRO 5 -2.153 -12.417 -6.593 29 1HB PRO 5 HB2 PRO 5 -1.444 -9.546 -6.291 30 2HB PRO 5 HB1 PRO 5 -0.393 -10.946 -6.526 31 1HG PRO 5 HG2 PRO 5 -0.848 -9.238 -8.519 32 2HG PRO 5 HG1 PRO 5 -0.733 -10.984 -8.820 33 1HD PRO 5 HD2 PRO 5 -3.157 -9.237 -8.677 34 2HD PRO 5 HD1 PRO 5 -2.812 -10.603 -9.757 35 H ALA 6 HN ALA 6 -4.199 -9.569 -6.187 36 HA ALA 6 HA ALA 6 -4.078 -9.560 -3.334 37 1HB ALA 6 HB1 ALA 6 -5.264 -7.949 -5.404 38 2HB ALA 6 HB2 ALA 6 -4.847 -7.515 -3.745 39 3HB ALA 6 HB3 ALA 6 -6.416 -8.239 -4.101 40 H GLU 7 HN GLU 7 -5.967 -11.235 -5.696 41 HA GLU 7 HA GLU 7 -8.120 -11.921 -3.920 42 1HB GLU 7 HB2 GLU 7 -7.319 -12.759 -6.689 43 2HB GLU 7 HB1 GLU 7 -8.578 -13.629 -5.824 44 1HG GLU 7 HG2 GLU 7 -9.800 -11.490 -5.557 45 2HG GLU 7 HG1 GLU 7 -8.576 -10.712 -6.561 46 H ASN 8 HN ASN 8 -5.345 -13.660 -5.307 47 HA ASN 8 HA ASN 8 -5.822 -16.127 -4.066 48 1HB ASN 8 HB2 ASN 8 -4.057 -15.304 -5.908 49 2HB ASN 8 HB1 ASN 8 -3.002 -15.286 -4.497 50 1HD2 ASN 8 HD21 ASN 8 -2.779 -17.255 -3.285 51 2HD2 ASN 8 HD22 ASN 8 -2.958 -18.777 -4.081 52 H PHE 9 HN PHE 9 -4.430 -13.181 -2.873 53 HA PHE 9 HA PHE 9 -3.250 -14.405 -0.540 54 1HB PHE 9 HB2 PHE 9 -2.021 -12.538 -0.915 55 2HB PHE 9 HB1 PHE 9 -3.333 -11.723 -1.756 56 HD1 PHE 9 HD1 PHE 9 -4.608 -10.076 -0.687 57 HD2 PHE 9 HD2 PHE 9 -2.031 -12.567 1.606 58 HE1 PHE 9 HE1 PHE 9 -4.973 -8.639 1.276 59 HE2 PHE 9 HE2 PHE 9 -2.392 -11.137 3.574 60 HZ PHE 9 HZ PHE 9 -3.865 -9.169 3.411 61 H ARG 10 HN ARG 10 -6.050 -12.334 -1.227 62 HA ARG 10 HA ARG 10 -6.986 -12.114 1.406 63 1HB ARG 10 HB2 ARG 10 -8.149 -11.721 -1.300 64 2HB ARG 10 HB1 ARG 10 -9.272 -11.872 0.043 65 1HG ARG 10 HG2 ARG 10 -8.170 -10.015 1.180 66 2HG ARG 10 HG1 ARG 10 -7.035 -9.867 -0.163 67 1HD ARG 10 HD2 ARG 10 -8.539 -8.301 -0.827 68 2HD ARG 10 HD1 ARG 10 -9.310 -9.719 -1.540 69 HE ARG 10 HE ARG 10 -10.100 -8.640 1.088 70 1HH1 ARG 10 HH11 ARG 10 -10.880 -9.868 -2.079 71 2HH1 ARG 10 HH12 ARG 10 -12.591 -9.831 -1.813 72 1HH2 ARG 10 HH21 ARG 10 -12.351 -8.588 1.447 73 2HH2 ARG 10 HH22 ARG 10 -13.427 -9.103 0.190 74 H VAL 11 HN VAL 11 -7.412 -14.627 -1.003 75 HA VAL 11 HA VAL 11 -9.506 -15.961 0.453 76 HB VAL 11 HB VAL 11 -9.206 -17.797 -1.170 77 1HG1 VAL 11 HG11 VAL 11 -10.751 -16.140 -1.810 78 2HG1 VAL 11 HG12 VAL 11 -9.737 -16.409 -3.228 79 3HG1 VAL 11 HG13 VAL 11 -9.475 -14.991 -2.212 80 1HG2 VAL 11 HG21 VAL 11 -7.656 -17.164 -3.154 81 2HG2 VAL 11 HG22 VAL 11 -6.958 -17.898 -1.710 82 3HG2 VAL 11 HG23 VAL 11 -6.834 -16.157 -1.962 83 H LEU 12 HN LEU 12 -6.026 -16.451 -0.010 84 HA LEU 12 HA LEU 12 -5.832 -18.877 1.404 85 1HB LEU 12 HB2 LEU 12 -4.113 -17.401 -0.066 86 2HB LEU 12 HB1 LEU 12 -3.543 -17.011 1.548 87 HG LEU 12 HG LEU 12 -3.951 -19.881 1.108 88 1HD1 LEU 12 HD11 LEU 12 -3.204 -19.242 -1.136 89 2HD1 LEU 12 HD12 LEU 12 -1.984 -20.187 -0.283 90 3HD1 LEU 12 HD13 LEU 12 -1.799 -18.439 -0.435 91 1HD2 LEU 12 HD21 LEU 12 -2.876 -18.955 3.094 92 2HD2 LEU 12 HD22 LEU 12 -1.623 -18.231 2.085 93 3HD2 LEU 12 HD23 LEU 12 -1.765 -19.986 2.191 94 H VAL 13 HN VAL 13 -6.082 -15.587 2.451 95 HA VAL 13 HA VAL 13 -5.313 -16.285 5.189 96 HB VAL 13 HB VAL 13 -5.431 -13.914 5.697 97 1HG1 VAL 13 HG11 VAL 13 -3.331 -14.647 4.856 98 2HG1 VAL 13 HG12 VAL 13 -3.683 -13.098 4.091 99 3HG1 VAL 13 HG13 VAL 13 -3.909 -14.597 3.190 100 1HG2 VAL 13 HG21 VAL 13 -7.239 -13.123 4.412 101 2HG2 VAL 13 HG22 VAL 13 -6.515 -13.681 2.903 102 3HG2 VAL 13 HG23 VAL 13 -5.812 -12.312 3.766 103 H LYS 14 HN LYS 14 -8.021 -16.444 3.358 104 HA LYS 14 HA LYS 14 -9.769 -16.008 5.690 105 1HB LYS 14 HB2 LYS 14 -9.908 -14.537 3.427 106 2HB LYS 14 HB1 LYS 14 -10.992 -15.854 3.003 107 1HG LYS 14 HG2 LYS 14 -12.021 -15.354 5.356 108 2HG LYS 14 HG1 LYS 14 -11.258 -13.782 5.117 109 1HD LYS 14 HD2 LYS 14 -12.554 -13.302 3.239 110 2HD LYS 14 HD1 LYS 14 -12.974 -14.997 2.981 111 1HE LYS 14 HE2 LYS 14 -14.436 -14.997 4.867 112 2HE LYS 14 HE1 LYS 14 -13.877 -13.403 5.371 113 1HZ LYS 14 HZ1 LYS 14 -15.986 -13.187 4.300 114 2HZ LYS 14 HZ2 LYS 14 -15.457 -14.045 2.942 115 3HZ LYS 14 HZ3 LYS 14 -14.813 -12.517 3.281 116 H GLN 15 HN GLN 15 -8.518 -18.448 5.246 117 HA GLN 15 HA GLN 15 -10.737 -20.131 4.277 118 1HB GLN 15 HB2 GLN 15 -7.761 -20.504 4.169 119 2HB GLN 15 HB1 GLN 15 -8.833 -21.900 4.130 120 1HG GLN 15 HG2 GLN 15 -9.109 -19.607 2.216 121 2HG GLN 15 HG1 GLN 15 -8.050 -20.981 1.904 122 1HE2 GLN 15 HE21 GLN 15 -8.940 -22.982 1.459 123 2HE2 GLN 15 HE22 GLN 15 -10.609 -23.190 1.065 124 H LYS 16 HN LYS 16 -8.117 -19.946 6.666 125 HA LYS 16 HA LYS 16 -9.687 -20.664 8.858 126 1HB LYS 16 HB2 LYS 16 -8.852 -22.958 9.292 127 2HB LYS 16 HB1 LYS 16 -9.871 -22.866 7.862 128 1HG LYS 16 HG2 LYS 16 -8.193 -23.422 6.463 129 2HG LYS 16 HG1 LYS 16 -6.976 -22.559 7.405 130 1HD LYS 16 HD2 LYS 16 -6.496 -24.364 8.686 131 2HD LYS 16 HD1 LYS 16 -8.164 -24.940 8.684 132 1HE LYS 16 HE2 LYS 16 -6.378 -25.094 6.269 133 2HE LYS 16 HE1 LYS 16 -6.474 -26.382 7.469 134 1HZ LYS 16 HZ1 LYS 16 -8.017 -27.044 5.924 135 2HZ LYS 16 HZ2 LYS 16 -8.517 -25.470 5.561 136 3HZ LYS 16 HZ3 LYS 16 -9.002 -26.198 7.009 137 H LYS 17 HN LYS 17 -6.503 -20.899 7.369 138 HA LYS 17 HA LYS 17 -5.318 -19.428 9.525 139 1HB LYS 17 HB2 LYS 17 -4.684 -22.323 9.048 140 2HB LYS 17 HB1 LYS 17 -3.457 -21.238 9.677 141 1HG LYS 17 HG2 LYS 17 -4.238 -21.732 11.693 142 2HG LYS 17 HG1 LYS 17 -5.641 -20.741 11.287 143 1HD LYS 17 HD2 LYS 17 -6.938 -22.589 10.725 144 2HD LYS 17 HD1 LYS 17 -5.529 -23.625 10.484 145 1HE LYS 17 HE2 LYS 17 -5.093 -23.555 12.905 146 2HE LYS 17 HE1 LYS 17 -6.536 -22.565 13.124 147 1HZ LYS 17 HZ1 LYS 17 -7.304 -24.672 13.571 148 2HZ LYS 17 HZ2 LYS 17 -6.334 -25.410 12.398 149 3HZ LYS 17 HZ3 LYS 17 -7.697 -24.524 11.931 150 H ALA 18 HN ALA 18 -3.244 -18.659 8.996 151 HA ALA 18 HA ALA 18 -1.779 -19.237 6.700 152 1HB ALA 18 HB1 ALA 18 -2.394 -17.045 5.450 153 2HB ALA 18 HB2 ALA 18 -3.917 -17.176 6.329 154 3HB ALA 18 HB3 ALA 18 -3.411 -18.472 5.244 155 H SER 19 HN SER 19 -2.804 -16.951 9.102 156 HA SER 19 HA SER 19 -1.691 -15.445 10.389 157 1HB SER 19 HB2 SER 19 0.929 -16.506 9.355 158 2HB SER 19 HB1 SER 19 0.548 -15.866 10.955 159 HG SER 19 HG SER 19 0.597 -18.363 10.280 160 H PHE 20 HN PHE 20 -1.357 -13.334 10.086 161 HA PHE 20 HA PHE 20 -0.932 -12.329 7.436 162 1HB PHE 20 HB2 PHE 20 -2.253 -11.381 9.612 163 2HB PHE 20 HB1 PHE 20 -0.768 -10.443 9.706 164 HD1 PHE 20 HD1 PHE 20 -3.211 -11.516 7.090 165 HD2 PHE 20 HD2 PHE 20 -0.804 -8.395 8.695 166 HE1 PHE 20 HE1 PHE 20 -4.086 -9.969 5.388 167 HE2 PHE 20 HE2 PHE 20 -1.675 -6.843 6.996 168 HZ PHE 20 HZ PHE 20 -3.319 -7.629 5.340 169 H GLU 21 HN GLU 21 1.265 -13.650 7.646 170 HA GLU 21 HA GLU 21 3.342 -11.646 8.177 171 1HB GLU 21 HB2 GLU 21 2.966 -13.998 9.677 172 2HB GLU 21 HB1 GLU 21 4.348 -14.309 8.637 173 1HG GLU 21 HG2 GLU 21 5.472 -12.345 9.479 174 2HG GLU 21 HG1 GLU 21 4.064 -11.927 10.454 175 H GLU 22 HN GLU 22 3.014 -14.954 6.869 176 HA GLU 22 HA GLU 22 5.019 -14.578 4.900 177 1HB GLU 22 HB2 GLU 22 2.837 -16.634 4.696 178 2HB GLU 22 HB1 GLU 22 4.511 -16.751 4.175 179 1HG GLU 22 HG2 GLU 22 5.142 -16.639 6.620 180 2HG GLU 22 HG1 GLU 22 3.430 -16.870 6.970 181 H ALA 23 HN ALA 23 1.481 -14.490 4.820 182 HA ALA 23 HA ALA 23 1.246 -14.068 2.031 183 1HB ALA 23 HB1 ALA 23 -0.513 -14.682 3.964 184 2HB ALA 23 HB2 ALA 23 -0.986 -14.033 2.394 185 3HB ALA 23 HB3 ALA 23 -0.854 -12.960 3.788 186 H SER 24 HN SER 24 1.757 -11.937 4.755 187 HA SER 24 HA SER 24 1.159 -9.518 3.353 188 1HB SER 24 HB2 SER 24 2.742 -9.961 5.898 189 2HB SER 24 HB1 SER 24 2.161 -8.403 5.312 190 HG SER 24 HG SER 24 0.034 -9.800 5.327 191 H ASN 25 HN ASN 25 4.217 -10.910 4.546 192 HA ASN 25 HA ASN 25 5.978 -9.150 3.364 193 1HB ASN 25 HB2 ASN 25 6.136 -11.971 4.267 194 2HB ASN 25 HB1 ASN 25 7.417 -11.422 3.191 195 1HD2 ASN 25 HD21 ASN 25 5.820 -10.856 6.256 196 2HD2 ASN 25 HD22 ASN 25 7.130 -10.008 6.998 197 H GLN 26 HN GLN 26 4.502 -12.047 1.966 198 HA GLN 26 HA GLN 26 5.888 -11.998 -0.485 199 1HB GLN 26 HB2 GLN 26 4.357 -13.834 0.572 200 2HB GLN 26 HB1 GLN 26 3.065 -12.988 -0.268 201 1HG GLN 26 HG2 GLN 26 3.801 -13.613 -2.330 202 2HG GLN 26 HG1 GLN 26 5.488 -13.713 -1.819 203 1HE2 GLN 26 HE21 GLN 26 3.139 -15.520 -2.985 204 2HE2 GLN 26 HE22 GLN 26 3.460 -17.034 -2.215 205 H LEU 27 HN LEU 27 2.766 -10.632 0.495 206 HA LEU 27 HA LEU 27 1.966 -9.582 -1.946 207 1HB LEU 27 HB2 LEU 27 0.912 -9.598 0.536 208 2HB LEU 27 HB1 LEU 27 1.446 -7.928 0.456 209 HG LEU 27 HG LEU 27 -0.908 -8.172 -0.189 210 1HD1 LEU 27 HD11 LEU 27 -0.848 -6.788 -2.094 211 2HD1 LEU 27 HD12 LEU 27 0.695 -7.455 -2.627 212 3HD1 LEU 27 HD13 LEU 27 0.625 -6.430 -1.193 213 1HD2 LEU 27 HD21 LEU 27 -0.174 -9.511 -2.732 214 2HD2 LEU 27 HD22 LEU 27 -1.685 -9.550 -1.825 215 3HD2 LEU 27 HD23 LEU 27 -0.307 -10.507 -1.283 216 H ILE 28 HN ILE 28 3.981 -8.090 0.588 217 HA ILE 28 HA ILE 28 4.349 -5.625 -0.708 218 HB ILE 28 HB ILE 28 5.956 -7.089 1.370 219 1HG1 ILE 28 HG12 ILE 28 5.105 -4.522 2.196 220 2HG1 ILE 28 HG11 ILE 28 3.743 -5.255 1.350 221 1HG2 ILE 28 HG21 ILE 28 7.133 -4.789 1.600 222 2HG2 ILE 28 HG22 ILE 28 6.656 -4.569 -0.083 223 3HG2 ILE 28 HG23 ILE 28 7.690 -5.924 0.370 224 1HD1 ILE 28 HD11 ILE 28 3.269 -6.404 3.171 225 2HD1 ILE 28 HD12 ILE 28 4.685 -5.739 3.985 226 3HD1 ILE 28 HD13 ILE 28 4.824 -7.226 3.047 227 H ASN 29 HN ASN 29 6.194 -8.644 -0.818 228 HA ASN 29 HA ASN 29 8.347 -7.743 -2.362 229 1HB ASN 29 HB2 ASN 29 7.779 -10.084 -1.176 230 2HB ASN 29 HB1 ASN 29 7.349 -10.504 -2.830 231 1HD2 ASN 29 HD21 ASN 29 9.927 -9.367 -0.750 232 2HD2 ASN 29 HD22 ASN 29 11.229 -9.861 -1.774 233 H HIS 30 HN HIS 30 5.215 -9.096 -3.300 234 HA HIS 30 HA HIS 30 5.633 -9.173 -6.067 235 1HB HIS 30 HB2 HIS 30 3.299 -9.224 -4.257 236 2HB HIS 30 HB1 HIS 30 2.964 -8.651 -5.889 237 HD1 HIS 30 HD1 HIS 30 4.710 -11.630 -4.276 238 HD2 HIS 30 HD2 HIS 30 2.411 -10.665 -7.601 239 HE1 HIS 30 HE1 HIS 30 4.328 -13.803 -5.482 240 HE2 HIS 30 HE2 HIS 30 2.862 -13.207 -7.443 241 H ILE 31 HN ILE 31 4.206 -6.653 -4.012 242 HA ILE 31 HA ILE 31 3.645 -4.769 -5.977 243 HB ILE 31 HB ILE 31 4.548 -4.291 -3.132 244 1HG1 ILE 31 HG12 ILE 31 1.768 -4.239 -4.325 245 2HG1 ILE 31 HG11 ILE 31 2.448 -5.621 -3.467 246 1HG2 ILE 31 HG21 ILE 31 3.329 -2.397 -5.134 247 2HG2 ILE 31 HG22 ILE 31 4.920 -2.279 -4.383 248 3HG2 ILE 31 HG23 ILE 31 3.466 -2.066 -3.407 249 1HD1 ILE 31 HD11 ILE 31 1.385 -3.083 -2.435 250 2HD1 ILE 31 HD12 ILE 31 2.840 -3.685 -1.639 251 3HD1 ILE 31 HD13 ILE 31 1.396 -4.694 -1.715 252 H GLU 32 HN GLU 32 6.610 -5.159 -4.049 253 HA GLU 32 HA GLU 32 8.104 -3.095 -5.133 254 1HB GLU 32 HB2 GLU 32 8.886 -5.774 -4.011 255 2HB GLU 32 HB1 GLU 32 10.098 -4.643 -4.597 256 1HG GLU 32 HG2 GLU 32 9.303 -2.969 -3.002 257 2HG GLU 32 HG1 GLU 32 8.099 -4.115 -2.409 258 H GLN 33 HN GLN 33 7.771 -6.436 -6.276 259 HA GLN 33 HA GLN 33 9.576 -6.309 -8.403 260 1HB GLN 33 HB2 GLN 33 7.172 -7.982 -7.796 261 2HB GLN 33 HB1 GLN 33 7.887 -8.075 -9.400 262 1HG GLN 33 HG2 GLN 33 10.018 -8.721 -8.435 263 2HG GLN 33 HG1 GLN 33 9.343 -8.575 -6.813 264 1HE2 GLN 33 HE21 GLN 33 8.099 -10.194 -6.000 265 2HE2 GLN 33 HE22 GLN 33 7.835 -11.699 -6.807 266 H PHE 34 HN PHE 34 6.096 -5.629 -8.303 267 HA PHE 34 HA PHE 34 5.709 -5.003 -10.978 268 1HB PHE 34 HB2 PHE 34 4.363 -4.060 -8.459 269 2HB PHE 34 HB1 PHE 34 3.872 -3.438 -10.031 270 HD1 PHE 34 HD1 PHE 34 3.023 -5.711 -7.634 271 HD2 PHE 34 HD2 PHE 34 3.663 -5.501 -11.836 272 HE1 PHE 34 HE1 PHE 34 1.576 -7.676 -7.949 273 HE2 PHE 34 HE2 PHE 34 2.218 -7.465 -12.159 274 HZ PHE 34 HZ PHE 34 1.171 -8.556 -10.213 275 H LEU 35 HN LEU 35 7.145 -3.099 -8.411 276 HA LEU 35 HA LEU 35 7.119 -0.632 -9.876 277 1HB LEU 35 HB2 LEU 35 8.349 -1.581 -7.318 278 2HB LEU 35 HB1 LEU 35 8.899 -0.074 -8.032 279 HG LEU 35 HG LEU 35 5.994 -0.593 -7.438 280 1HD1 LEU 35 HD11 LEU 35 7.029 -0.827 -5.326 281 2HD1 LEU 35 HD12 LEU 35 6.418 0.826 -5.396 282 3HD1 LEU 35 HD13 LEU 35 8.135 0.509 -5.639 283 1HD2 LEU 35 HD21 LEU 35 7.530 1.985 -7.707 284 2HD2 LEU 35 HD22 LEU 35 5.782 1.784 -7.586 285 3HD2 LEU 35 HD23 LEU 35 6.636 1.224 -9.023 286 H ASP 36 HN ASP 36 9.055 -3.420 -9.892 287 HA ASP 36 HA ASP 36 11.565 -2.297 -10.593 288 1HB ASP 36 HB2 ASP 36 11.071 -4.688 -9.801 289 2HB ASP 36 HB1 ASP 36 10.613 -5.020 -11.469 290 H THR 37 HN THR 37 8.692 -2.229 -12.210 291 HA THR 37 HA THR 37 10.035 -1.837 -14.792 292 HB THR 37 HB THR 37 7.291 -2.586 -15.191 293 HG1 THR 37 HG1 THR 37 8.886 -4.398 -13.676 294 1HG2 THR 37 HG21 THR 37 9.335 -2.687 -16.742 295 2HG2 THR 37 HG22 THR 37 8.193 -4.029 -16.809 296 3HG2 THR 37 HG23 THR 37 9.711 -4.208 -15.931 297 H ASN 38 HN ASN 38 9.873 0.211 -15.342 298 HA ASN 38 HA ASN 38 7.948 1.974 -14.154 299 1HB ASN 38 HB2 ASN 38 9.023 3.663 -15.744 300 2HB ASN 38 HB1 ASN 38 10.073 2.932 -14.530 301 1HD2 ASN 38 HD21 ASN 38 9.457 3.377 -17.855 302 2HD2 ASN 38 HD22 ASN 38 10.793 2.463 -18.460 303 H GLU 39 HN GLU 39 6.286 0.322 -15.227 304 HA GLU 39 HA GLU 39 5.394 1.559 -17.748 305 1HB GLU 39 HB2 GLU 39 5.340 -1.296 -16.831 306 2HB GLU 39 HB1 GLU 39 4.139 -0.721 -17.979 307 1HG GLU 39 HG2 GLU 39 7.063 -0.309 -18.465 308 2HG GLU 39 HG1 GLU 39 6.270 -1.829 -18.874 309 H THR 40 HN THR 40 3.336 2.298 -17.853 310 HA THR 40 HA THR 40 1.948 2.978 -15.560 311 HB THR 40 HB THR 40 0.500 2.564 -18.158 312 HG1 THR 40 HG1 THR 40 2.081 3.727 -18.999 313 1HG2 THR 40 HG21 THR 40 0.352 4.687 -16.015 314 2HG2 THR 40 HG22 THR 40 -0.793 3.365 -16.246 315 3HG2 THR 40 HG23 THR 40 -0.643 4.625 -17.470 316 HA PRO 41 HA PRO 41 -1.059 -0.809 -16.457 317 1HB PRO 41 HB2 PRO 41 0.908 -2.672 -17.668 318 2HB PRO 41 HB1 PRO 41 -0.794 -2.410 -18.071 319 1HG PRO 41 HG2 PRO 41 1.142 -1.504 -19.663 320 2HG PRO 41 HG1 PRO 41 -0.333 -0.558 -19.386 321 1HD PRO 41 HD2 PRO 41 2.399 -0.200 -18.219 322 2HD PRO 41 HD1 PRO 41 1.240 1.026 -18.773 323 H TYR 42 HN TYR 42 2.293 -0.923 -15.553 324 HA TYR 42 HA TYR 42 1.958 -3.189 -13.782 325 1HB TYR 42 HB2 TYR 42 4.234 -1.451 -14.618 326 2HB TYR 42 HB1 TYR 42 4.367 -2.314 -13.089 327 HD1 TYR 42 HD1 TYR 42 5.092 -4.527 -13.067 328 HD2 TYR 42 HD2 TYR 42 3.633 -2.864 -16.701 329 HE1 TYR 42 HE1 TYR 42 5.788 -6.557 -14.268 330 HE2 TYR 42 HE2 TYR 42 4.324 -4.889 -17.912 331 HH TYR 42 HH TYR 42 5.963 -6.733 -17.634 332 H PHE 43 HN PHE 43 2.194 0.316 -13.544 333 HA PHE 43 HA PHE 43 2.378 0.403 -10.707 334 1HB PHE 43 HB2 PHE 43 1.888 2.383 -12.878 335 2HB PHE 43 HB1 PHE 43 1.426 2.835 -11.238 336 HD1 PHE 43 HD1 PHE 43 4.274 1.672 -13.303 337 HD2 PHE 43 HD2 PHE 43 3.028 3.551 -9.694 338 HE1 PHE 43 HE1 PHE 43 6.609 2.276 -12.817 339 HE2 PHE 43 HE2 PHE 43 5.362 4.158 -9.202 340 HZ PHE 43 HZ PHE 43 7.155 3.520 -10.763 341 H MET 44 HN MET 44 -0.235 0.045 -12.937 342 HA MET 44 HA MET 44 -2.340 0.926 -11.249 343 1HB MET 44 HB2 MET 44 -2.293 -0.931 -13.630 344 2HB MET 44 HB1 MET 44 -3.774 -0.467 -12.804 345 1HG MET 44 HG2 MET 44 -3.327 1.878 -13.323 346 2HG MET 44 HG1 MET 44 -1.849 1.407 -14.158 347 1HE MET 44 HE1 MET 44 -4.438 3.136 -15.520 348 2HE MET 44 HE2 MET 44 -4.122 2.474 -17.123 349 3HE MET 44 HE3 MET 44 -2.778 2.902 -16.065 350 H LYS 45 HN LYS 45 -0.624 -2.087 -11.646 351 HA LYS 45 HA LYS 45 -2.440 -3.674 -10.113 352 1HB LYS 45 HB2 LYS 45 -0.466 -4.289 -11.837 353 2HB LYS 45 HB1 LYS 45 0.404 -4.492 -10.319 354 1HG LYS 45 HG2 LYS 45 -0.602 -6.428 -9.903 355 2HG LYS 45 HG1 LYS 45 -2.199 -5.756 -10.241 356 1HD LYS 45 HD2 LYS 45 -1.471 -5.929 -12.724 357 2HD LYS 45 HD1 LYS 45 -0.256 -7.055 -12.114 358 1HE LYS 45 HE2 LYS 45 -2.270 -8.183 -10.928 359 2HE LYS 45 HE1 LYS 45 -3.238 -7.300 -12.108 360 1HZ LYS 45 HZ1 LYS 45 -2.140 -8.401 -13.882 361 2HZ LYS 45 HZ2 LYS 45 -2.610 -9.596 -12.781 362 3HZ LYS 45 HZ3 LYS 45 -0.996 -9.095 -12.847 363 H SER 46 HN SER 46 0.332 -1.671 -9.412 364 HA SER 46 HA SER 46 0.916 -2.668 -6.836 365 1HB SER 46 HB2 SER 46 1.314 0.204 -7.663 366 2HB SER 46 HB1 SER 46 2.300 -0.771 -6.571 367 HG SER 46 HG SER 46 2.601 -2.109 -8.610 368 H ILE 47 HN ILE 47 -1.019 0.123 -7.908 369 HA ILE 47 HA ILE 47 -1.933 0.909 -5.384 370 HB ILE 47 HB ILE 47 -3.598 1.131 -7.884 371 1HG1 ILE 47 HG12 ILE 47 -1.587 3.218 -7.122 372 2HG1 ILE 47 HG11 ILE 47 -1.069 1.821 -8.061 373 1HG2 ILE 47 HG21 ILE 47 -4.347 3.219 -6.859 374 2HG2 ILE 47 HG22 ILE 47 -3.288 2.924 -5.479 375 3HG2 ILE 47 HG23 ILE 47 -4.643 1.841 -5.799 376 1HD1 ILE 47 HD11 ILE 47 -2.971 3.996 -8.813 377 2HD1 ILE 47 HD12 ILE 47 -3.011 2.434 -9.630 378 3HD1 ILE 47 HD13 ILE 47 -1.545 3.412 -9.669 379 H ASP 48 HN ASP 48 -3.202 -1.418 -7.717 380 HA ASP 48 HA ASP 48 -5.603 -2.028 -6.394 381 1HB ASP 48 HB2 ASP 48 -3.933 -3.294 -8.484 382 2HB ASP 48 HB1 ASP 48 -4.998 -4.385 -7.597 383 H CYS 49 HN CYS 49 -2.324 -2.940 -5.803 384 HA CYS 49 HA CYS 49 -2.977 -5.136 -4.048 385 1HB CYS 49 HB2 CYS 49 -0.479 -3.833 -5.011 386 2HB CYS 49 HB1 CYS 49 -0.402 -4.691 -3.475 387 HG CYS 49 HG CYS 49 -0.370 -5.893 -6.542 388 H ILE 50 HN ILE 50 -1.940 -1.761 -3.733 389 HA ILE 50 HA ILE 50 -1.728 -1.797 -0.906 390 HB ILE 50 HB ILE 50 -0.972 -0.028 -2.814 391 1HG1 ILE 50 HG12 ILE 50 -1.461 0.975 -0.021 392 2HG1 ILE 50 HG11 ILE 50 -0.326 -0.345 -0.314 393 1HG2 ILE 50 HG21 ILE 50 -2.202 1.979 -2.748 394 2HG2 ILE 50 HG22 ILE 50 -3.202 1.415 -1.409 395 3HG2 ILE 50 HG23 ILE 50 -3.388 0.701 -3.010 396 1HD1 ILE 50 HD11 ILE 50 1.243 1.061 -0.995 397 2HD1 ILE 50 HD12 ILE 50 0.204 2.370 -0.431 398 3HD1 ILE 50 HD13 ILE 50 0.140 1.857 -2.118 399 H ARG 51 HN ARG 51 -4.365 -1.405 -3.125 400 HA ARG 51 HA ARG 51 -6.177 -0.231 -1.230 401 1HB ARG 51 HB2 ARG 51 -6.519 -1.425 -3.973 402 2HB ARG 51 HB1 ARG 51 -7.895 -0.891 -3.016 403 1HG ARG 51 HG2 ARG 51 -6.242 1.278 -2.892 404 2HG ARG 51 HG1 ARG 51 -5.932 0.662 -4.517 405 1HD ARG 51 HD2 ARG 51 -8.737 0.976 -3.520 406 2HD ARG 51 HD1 ARG 51 -7.851 2.368 -4.143 407 HE ARG 51 HE ARG 51 -8.349 -0.073 -5.725 408 1HH1 ARG 51 HH11 ARG 51 -8.131 3.392 -5.418 409 2HH1 ARG 51 HH12 ARG 51 -8.491 3.691 -7.084 410 1HH2 ARG 51 HH21 ARG 51 -8.822 0.313 -7.922 411 2HH2 ARG 51 HH22 ARG 51 -8.884 1.941 -8.507 412 H ALA 52 HN ALA 52 -5.329 -3.451 -2.262 413 HA ALA 52 HA ALA 52 -7.591 -4.697 -0.961 414 1HB ALA 52 HB1 ALA 52 -6.653 -6.781 -1.680 415 2HB ALA 52 HB2 ALA 52 -5.102 -6.018 -2.033 416 3HB ALA 52 HB3 ALA 52 -6.518 -5.632 -3.011 417 H PHE 53 HN PHE 53 -4.180 -4.141 -0.335 418 HA PHE 53 HA PHE 53 -4.065 -5.713 2.041 419 1HB PHE 53 HB2 PHE 53 -2.153 -4.789 0.453 420 2HB PHE 53 HB1 PHE 53 -2.181 -3.439 1.586 421 HD1 PHE 53 HD1 PHE 53 -0.695 -6.499 0.878 422 HD2 PHE 53 HD2 PHE 53 -2.183 -4.209 4.141 423 HE1 PHE 53 HE1 PHE 53 0.735 -7.775 2.420 424 HE2 PHE 53 HE2 PHE 53 -0.756 -5.479 5.689 425 HZ PHE 53 HZ PHE 53 0.706 -7.264 4.830 426 H ARG 54 HN ARG 54 -4.280 -2.212 1.418 427 HA ARG 54 HA ARG 54 -4.310 -1.272 3.999 428 1HB ARG 54 HB2 ARG 54 -5.487 -0.327 1.441 429 2HB ARG 54 HB1 ARG 54 -6.069 0.431 2.918 430 1HG ARG 54 HG2 ARG 54 -3.666 0.883 3.505 431 2HG ARG 54 HG1 ARG 54 -3.254 0.361 1.868 432 1HD ARG 54 HD2 ARG 54 -3.524 2.536 1.363 433 2HD ARG 54 HD1 ARG 54 -5.242 2.127 1.354 434 HE ARG 54 HE ARG 54 -3.877 3.245 3.718 435 1HH1 ARG 54 HH11 ARG 54 -6.571 3.111 1.512 436 2HH1 ARG 54 HH12 ARG 54 -7.498 4.296 2.370 437 1HH2 ARG 54 HH21 ARG 54 -5.091 4.806 4.854 438 2HH2 ARG 54 HH22 ARG 54 -6.657 5.259 4.268 439 H GLU 55 HN GLU 55 -7.100 -2.415 2.113 440 HA GLU 55 HA GLU 55 -9.035 -1.905 4.087 441 1HB GLU 55 HB2 GLU 55 -9.104 -2.761 1.503 442 2HB GLU 55 HB1 GLU 55 -9.516 -4.241 2.357 443 1HG GLU 55 HG2 GLU 55 -11.389 -3.183 3.410 444 2HG GLU 55 HG1 GLU 55 -10.924 -1.613 2.758 445 H GLU 56 HN GLU 56 -7.166 -4.834 3.363 446 HA GLU 56 HA GLU 56 -8.424 -6.481 5.278 447 1HB GLU 56 HB2 GLU 56 -5.828 -6.625 3.785 448 2HB GLU 56 HB1 GLU 56 -6.206 -7.806 5.035 449 1HG GLU 56 HG2 GLU 56 -8.343 -7.379 3.078 450 2HG GLU 56 HG1 GLU 56 -6.855 -8.049 2.413 451 H ALA 57 HN ALA 57 -5.641 -4.312 5.506 452 HA ALA 57 HA ALA 57 -4.986 -5.265 8.165 453 1HB ALA 57 HB1 ALA 57 -3.072 -3.903 8.050 454 2HB ALA 57 HB2 ALA 57 -3.762 -2.906 6.769 455 3HB ALA 57 HB3 ALA 57 -3.277 -4.566 6.429 456 H ILE 58 HN ILE 58 -5.949 -2.162 6.710 457 HA ILE 58 HA ILE 58 -6.187 -0.663 9.022 458 HB ILE 58 HB ILE 58 -7.777 -0.499 6.466 459 1HG1 ILE 58 HG12 ILE 58 -5.676 1.407 7.476 460 2HG1 ILE 58 HG11 ILE 58 -5.239 -0.046 6.579 461 1HG2 ILE 58 HG21 ILE 58 -9.187 0.535 8.034 462 2HG2 ILE 58 HG22 ILE 58 -8.292 1.854 7.280 463 3HG2 ILE 58 HG23 ILE 58 -7.832 1.280 8.884 464 1HD1 ILE 58 HD11 ILE 58 -6.773 2.348 5.645 465 2HD1 ILE 58 HD12 ILE 58 -6.854 0.807 4.791 466 3HD1 ILE 58 HD13 ILE 58 -5.306 1.634 4.974 467 H LYS 59 HN LYS 59 -8.655 -2.695 7.465 468 HA LYS 59 HA LYS 59 -10.810 -2.143 9.085 469 1HB LYS 59 HB2 LYS 59 -9.949 -4.533 7.537 470 2HB LYS 59 HB1 LYS 59 -11.255 -4.745 8.692 471 1HG LYS 59 HG2 LYS 59 -12.044 -2.490 7.394 472 2HG LYS 59 HG1 LYS 59 -11.236 -3.388 6.104 473 1HD LYS 59 HD2 LYS 59 -12.649 -5.287 6.451 474 2HD LYS 59 HD1 LYS 59 -13.340 -4.573 7.910 475 1HE LYS 59 HE2 LYS 59 -14.952 -3.711 6.646 476 2HE LYS 59 HE1 LYS 59 -13.738 -2.683 5.888 477 1HZ LYS 59 HZ1 LYS 59 -14.985 -5.127 4.897 478 2HZ LYS 59 HZ2 LYS 59 -13.359 -4.884 4.498 479 3HZ LYS 59 HZ3 LYS 59 -14.520 -3.734 4.058 480 H PHE 60 HN PHE 60 -8.221 -4.534 9.656 481 HA PHE 60 HA PHE 60 -8.138 -4.151 12.405 482 1HB PHE 60 HB2 PHE 60 -9.219 -6.198 13.272 483 2HB PHE 60 HB1 PHE 60 -10.372 -5.090 12.538 484 HD1 PHE 60 HD1 PHE 60 -9.133 -8.421 12.624 485 HD2 PHE 60 HD2 PHE 60 -11.117 -5.596 10.140 486 HE1 PHE 60 HE1 PHE 60 -9.984 -10.256 11.223 487 HE2 PHE 60 HE2 PHE 60 -11.968 -7.423 8.732 488 HZ PHE 60 HZ PHE 60 -11.402 -9.758 9.273 489 H SER 61 HN SER 61 -5.972 -4.336 12.159 490 HA SER 61 HA SER 61 -4.792 -6.840 12.443 491 1HB SER 61 HB2 SER 61 -5.257 -6.085 9.686 492 2HB SER 61 HB1 SER 61 -3.536 -6.299 10.006 493 HG SER 61 HG SER 61 -4.425 -8.276 9.441 494 H GLU 62 HN GLU 62 -3.089 -4.778 10.263 495 HA GLU 62 HA GLU 62 -1.687 -3.526 12.524 496 1HB GLU 62 HB2 GLU 62 -0.395 -4.824 10.119 497 2HB GLU 62 HB1 GLU 62 0.459 -3.891 11.345 498 1HG GLU 62 HG2 GLU 62 -1.149 -6.336 12.014 499 2HG GLU 62 HG1 GLU 62 0.549 -6.413 11.542 500 H GLU 63 HN GLU 63 -3.401 -1.928 11.593 501 HA GLU 63 HA GLU 63 -3.011 -0.587 9.191 502 1HB GLU 63 HB2 GLU 63 -4.143 1.337 10.277 503 2HB GLU 63 HB1 GLU 63 -4.977 -0.190 10.535 504 1HG GLU 63 HG2 GLU 63 -4.013 -0.343 12.772 505 2HG GLU 63 HG1 GLU 63 -3.172 1.187 12.512 506 H GLN 64 HN GLN 64 -1.264 -0.320 12.209 507 HA GLN 64 HA GLN 64 0.094 2.118 11.578 508 1HB GLN 64 HB2 GLN 64 0.644 -0.064 13.596 509 2HB GLN 64 HB1 GLN 64 1.629 1.386 13.457 510 1HG GLN 64 HG2 GLN 64 -0.450 2.725 13.846 511 2HG GLN 64 HG1 GLN 64 -1.275 1.209 14.206 512 1HE2 GLN 64 HE21 GLN 64 -1.502 0.927 16.295 513 2HE2 GLN 64 HE22 GLN 64 -0.352 1.339 17.516 514 H ARG 65 HN ARG 65 0.526 -1.179 10.711 515 HA ARG 65 HA ARG 65 3.318 -1.035 10.104 516 1HB ARG 65 HB2 ARG 65 2.362 -3.204 10.515 517 2HB ARG 65 HB1 ARG 65 1.145 -2.965 9.269 518 1HG ARG 65 HG2 ARG 65 2.918 -2.965 7.567 519 2HG ARG 65 HG1 ARG 65 4.109 -3.271 8.832 520 1HD ARG 65 HD2 ARG 65 2.097 -5.194 9.182 521 2HD ARG 65 HD1 ARG 65 2.398 -5.120 7.444 522 HE ARG 65 HE ARG 65 4.819 -5.245 8.948 523 1HH1 ARG 65 HH11 ARG 65 2.195 -7.167 7.698 524 2HH1 ARG 65 HH12 ARG 65 3.127 -8.626 7.632 525 1HH2 ARG 65 HH21 ARG 65 6.052 -7.160 8.860 526 2HH2 ARG 65 HH22 ARG 65 5.318 -8.622 8.292 527 H PHE 66 HN PHE 66 0.458 0.054 8.634 528 HA PHE 66 HA PHE 66 1.559 0.120 5.947 529 1HB PHE 66 HB2 PHE 66 -1.050 0.049 6.976 530 2HB PHE 66 HB1 PHE 66 -0.874 1.650 6.258 531 HD1 PHE 66 HD1 PHE 66 -2.036 -1.469 5.574 532 HD2 PHE 66 HD2 PHE 66 0.589 1.444 3.924 533 HE1 PHE 66 HE1 PHE 66 -2.361 -2.445 3.341 534 HE2 PHE 66 HE2 PHE 66 0.265 0.476 1.688 535 HZ PHE 66 HZ PHE 66 -1.210 -1.472 1.393 536 H ASN 67 HN ASN 67 0.654 2.384 8.532 537 HA ASN 67 HA ASN 67 1.454 4.690 7.047 538 1HB ASN 67 HB2 ASN 67 1.627 5.627 9.539 539 2HB ASN 67 HB1 ASN 67 0.079 5.411 8.737 540 1HD2 ASN 67 HD21 ASN 67 -1.371 4.106 9.634 541 2HD2 ASN 67 HD22 ASN 67 -1.094 3.149 11.045 542 H ASN 68 HN ASN 68 3.029 2.215 8.713 543 HA ASN 68 HA ASN 68 5.463 3.669 9.282 544 1HB ASN 68 HB2 ASN 68 4.695 1.654 10.591 545 2HB ASN 68 HB1 ASN 68 5.071 0.668 9.182 546 1HD2 ASN 68 HD21 ASN 68 6.241 1.969 12.025 547 2HD2 ASN 68 HD22 ASN 68 7.925 1.677 11.774 548 H PHE 69 HN PHE 69 4.682 0.944 7.116 549 HA PHE 69 HA PHE 69 6.965 1.077 5.538 550 1HB PHE 69 HB2 PHE 69 4.958 -0.642 5.620 551 2HB PHE 69 HB1 PHE 69 4.360 0.327 4.275 552 HD1 PHE 69 HD1 PHE 69 5.305 0.148 2.120 553 HD2 PHE 69 HD2 PHE 69 7.152 -1.790 5.428 554 HE1 PHE 69 HE1 PHE 69 6.755 -1.101 0.574 555 HE2 PHE 69 HE2 PHE 69 8.606 -3.043 3.888 556 HZ PHE 69 HZ PHE 69 8.409 -2.698 1.458 557 H LEU 70 HN LEU 70 4.075 2.990 5.469 558 HA LEU 70 HA LEU 70 4.561 4.137 2.873 559 1HB LEU 70 HB2 LEU 70 2.604 4.639 5.076 560 2HB LEU 70 HB1 LEU 70 2.845 5.886 3.865 561 HG LEU 70 HG LEU 70 1.809 3.086 3.436 562 1HD1 LEU 70 HD11 LEU 70 0.080 4.516 4.154 563 2HD1 LEU 70 HD12 LEU 70 -0.077 4.423 2.399 564 3HD1 LEU 70 HD13 LEU 70 0.654 5.844 3.145 565 1HD2 LEU 70 HD21 LEU 70 1.584 3.927 1.017 566 2HD2 LEU 70 HD22 LEU 70 3.165 3.365 1.560 567 3HD2 LEU 70 HD23 LEU 70 2.831 5.094 1.457 568 H LYS 71 HN LYS 71 5.032 5.109 6.239 569 HA LYS 71 HA LYS 71 5.956 7.684 5.883 570 1HB LYS 71 HB2 LYS 71 6.216 5.612 7.938 571 2HB LYS 71 HB1 LYS 71 7.580 6.719 7.895 572 1HG LYS 71 HG2 LYS 71 5.939 8.605 8.021 573 2HG LYS 71 HG1 LYS 71 4.680 7.399 8.302 574 1HD LYS 71 HD2 LYS 71 6.103 6.577 10.236 575 2HD LYS 71 HD1 LYS 71 7.058 8.046 10.030 576 1HE LYS 71 HE2 LYS 71 5.016 9.386 10.347 577 2HE LYS 71 HE1 LYS 71 4.102 7.903 10.614 578 1HZ LYS 71 HZ1 LYS 71 5.390 7.450 12.566 579 2HZ LYS 71 HZ2 LYS 71 4.778 9.022 12.685 580 3HZ LYS 71 HZ3 LYS 71 6.401 8.776 12.278 581 H ALA 72 HN ALA 72 7.745 4.626 5.721 582 HA ALA 72 HA ALA 72 10.239 5.863 5.080 583 1HB ALA 72 HB1 ALA 72 9.310 3.010 4.761 584 2HB ALA 72 HB2 ALA 72 10.197 3.683 6.128 585 3HB ALA 72 HB3 ALA 72 10.972 3.563 4.548 586 H LEU 73 HN LEU 73 7.676 4.294 3.216 587 HA LEU 73 HA LEU 73 8.785 4.229 0.704 588 1HB LEU 73 HB2 LEU 73 6.653 3.265 0.979 589 2HB LEU 73 HB1 LEU 73 5.972 4.747 1.629 590 HG LEU 73 HG LEU 73 6.854 5.320 -1.006 591 1HD1 LEU 73 HD11 LEU 73 6.053 3.687 -2.373 592 2HD1 LEU 73 HD12 LEU 73 4.880 3.112 -1.189 593 3HD1 LEU 73 HD13 LEU 73 6.583 2.689 -1.020 594 1HD2 LEU 73 HD21 LEU 73 4.026 4.971 -0.835 595 2HD2 LEU 73 HD22 LEU 73 4.960 6.464 -0.882 596 3HD2 LEU 73 HD23 LEU 73 4.614 5.689 0.664 597 H GLN 74 HN GLN 74 7.241 6.941 2.338 598 HA GLN 74 HA GLN 74 7.375 8.792 0.228 599 1HB GLN 74 HB2 GLN 74 6.194 8.915 2.571 600 2HB GLN 74 HB1 GLN 74 7.699 9.673 3.071 601 1HG GLN 74 HG2 GLN 74 6.481 10.738 0.613 602 2HG GLN 74 HG1 GLN 74 5.586 11.019 2.106 603 1HE2 GLN 74 HE21 GLN 74 7.963 12.176 0.108 604 2HE2 GLN 74 HE22 GLN 74 8.737 13.268 1.202 605 H GLU 75 HN GLU 75 9.601 8.190 2.928 606 HA GLU 75 HA GLU 75 11.527 10.105 2.143 607 1HB GLU 75 HB2 GLU 75 11.530 7.737 3.972 608 2HB GLU 75 HB1 GLU 75 13.059 8.502 3.561 609 1HG GLU 75 HG2 GLU 75 12.273 10.615 4.438 610 2HG GLU 75 HG1 GLU 75 10.692 9.912 4.775 611 H LYS 76 HN LYS 76 10.802 6.940 1.010 612 HA LYS 76 HA LYS 76 13.393 6.450 -0.170 613 1HB LYS 76 HB2 LYS 76 11.879 4.632 0.681 614 2HB LYS 76 HB1 LYS 76 10.796 4.986 -0.658 615 1HG LYS 76 HG2 LYS 76 12.759 4.521 -2.190 616 2HG LYS 76 HG1 LYS 76 13.580 3.872 -0.769 617 1HD LYS 76 HD2 LYS 76 11.464 2.433 -0.471 618 2HD LYS 76 HD1 LYS 76 11.113 2.864 -2.145 619 1HE LYS 76 HE2 LYS 76 13.850 2.036 -1.896 620 2HE LYS 76 HE1 LYS 76 12.786 0.811 -1.206 621 1HZ LYS 76 HZ1 LYS 76 11.533 0.789 -3.274 622 2HZ LYS 76 HZ2 LYS 76 13.161 0.424 -3.556 623 3HZ LYS 76 HZ3 LYS 76 12.561 1.959 -3.936 624 H VAL 77 HN VAL 77 10.109 7.081 -1.350 625 HA VAL 77 HA VAL 77 10.725 7.243 -4.069 626 HB VAL 77 HB VAL 77 8.420 7.072 -3.300 627 1HG1 VAL 77 HG11 VAL 77 8.666 9.923 -2.355 628 2HG1 VAL 77 HG12 VAL 77 8.706 8.517 -1.292 629 3HG1 VAL 77 HG13 VAL 77 7.256 8.872 -2.229 630 1HG2 VAL 77 HG21 VAL 77 9.040 8.171 -5.494 631 2HG2 VAL 77 HG22 VAL 77 8.698 9.709 -4.704 632 3HG2 VAL 77 HG23 VAL 77 7.422 8.505 -4.876 633 H GLU 78 HN GLU 78 11.118 9.510 -1.455 634 HA GLU 78 HA GLU 78 11.425 11.871 -2.941 635 1HB GLU 78 HB2 GLU 78 12.173 10.940 -0.228 636 2HB GLU 78 HB1 GLU 78 13.094 12.298 -0.860 637 1HG GLU 78 HG2 GLU 78 10.981 13.502 -1.264 638 2HG GLU 78 HG1 GLU 78 10.106 12.157 -0.534 639 H ILE 79 HN ILE 79 13.754 9.459 -1.822 640 HA ILE 79 HA ILE 79 16.071 10.570 -2.908 641 HB ILE 79 HB ILE 79 15.366 7.650 -2.566 642 1HG1 ILE 79 HG12 ILE 79 17.359 8.816 -0.790 643 2HG1 ILE 79 HG11 ILE 79 15.804 9.640 -0.680 644 1HG2 ILE 79 HG21 ILE 79 17.894 7.374 -2.527 645 2HG2 ILE 79 HG22 ILE 79 17.971 8.968 -3.277 646 3HG2 ILE 79 HG23 ILE 79 17.147 7.644 -4.102 647 1HD1 ILE 79 HD11 ILE 79 16.277 6.692 -0.326 648 2HD1 ILE 79 HD12 ILE 79 14.714 7.503 -0.242 649 3HD1 ILE 79 HD13 ILE 79 15.959 7.865 0.952 650 H LYS 80 HN LYS 80 13.351 9.508 -4.524 651 HA LYS 80 HA LYS 80 12.805 9.539 -6.715 652 1HB LYS 80 HB2 LYS 80 14.072 10.866 -7.965 653 2HB LYS 80 HB1 LYS 80 15.300 10.820 -6.711 654 1HG LYS 80 HG2 LYS 80 16.421 9.000 -7.788 655 2HG LYS 80 HG1 LYS 80 15.110 8.822 -8.955 656 1HD LYS 80 HD2 LYS 80 16.477 11.458 -8.747 657 2HD LYS 80 HD1 LYS 80 17.323 10.135 -9.552 658 1HE LYS 80 HE2 LYS 80 15.810 10.033 -11.273 659 2HE LYS 80 HE1 LYS 80 14.491 10.674 -10.294 660 1HZ LYS 80 HZ1 LYS 80 16.657 12.530 -10.695 661 2HZ LYS 80 HZ2 LYS 80 14.990 12.759 -10.864 662 3HZ LYS 80 HZ3 LYS 80 15.881 12.076 -12.129 663 H GLN 81 HN GLN 81 12.080 7.725 -7.438 664 HA GLN 81 HA GLN 81 13.501 5.740 -8.736 665 1HB GLN 81 HB2 GLN 81 13.626 5.480 -5.866 666 2HB GLN 81 HB1 GLN 81 12.746 4.121 -6.553 667 1HG GLN 81 HG2 GLN 81 14.611 3.635 -8.028 668 2HG GLN 81 HG1 GLN 81 15.491 5.024 -7.392 669 1HE2 GLN 81 HE21 GLN 81 16.422 4.907 -5.370 670 2HE2 GLN 81 HE22 GLN 81 16.596 3.421 -4.505 671 H LEU 82 HN LEU 82 10.759 6.555 -6.718 672 HA LEU 82 HA LEU 82 8.996 5.190 -8.625 673 1HB LEU 82 HB2 LEU 82 7.543 4.686 -6.523 674 2HB LEU 82 HB1 LEU 82 8.871 3.619 -6.947 675 HG LEU 82 HG LEU 82 9.514 5.817 -5.072 676 1HD1 LEU 82 HD11 LEU 82 8.537 4.790 -3.171 677 2HD1 LEU 82 HD12 LEU 82 7.997 3.401 -4.115 678 3HD1 LEU 82 HD13 LEU 82 7.253 4.980 -4.365 679 1HD2 LEU 82 HD21 LEU 82 10.787 3.580 -6.000 680 2HD2 LEU 82 HD22 LEU 82 10.191 3.050 -4.428 681 3HD2 LEU 82 HD23 LEU 82 11.224 4.474 -4.544 682 H ASN 83 HN ASN 83 9.634 7.912 -8.580 683 HA ASN 83 HA ASN 83 7.823 9.499 -7.117 684 1HB ASN 83 HB2 ASN 83 9.960 10.163 -8.465 685 2HB ASN 83 HB1 ASN 83 8.841 10.323 -9.816 686 1HD2 ASN 83 HD21 ASN 83 7.912 12.217 -10.074 687 2HD2 ASN 83 HD22 ASN 83 7.757 13.446 -8.870 688 H HIS 84 HN HIS 84 7.337 7.420 -9.739 689 HA HIS 84 HA HIS 84 5.134 8.811 -10.941 690 1HB HIS 84 HB2 HIS 84 5.374 5.882 -11.322 691 2HB HIS 84 HB1 HIS 84 5.138 7.157 -12.511 692 HD1 HIS 84 HD1 HIS 84 7.890 5.570 -10.454 693 HD2 HIS 84 HD2 HIS 84 7.402 7.920 -13.846 694 HE1 HIS 84 HE1 HIS 84 10.172 5.720 -11.500 695 HE2 HIS 84 HE2 HIS 84 9.867 7.212 -13.508 696 H PHE 85 HN PHE 85 5.517 6.263 -8.537 697 HA PHE 85 HA PHE 85 2.787 5.523 -8.397 698 1HB PHE 85 HB2 PHE 85 4.759 4.201 -7.502 699 2HB PHE 85 HB1 PHE 85 4.787 5.322 -6.141 700 HD1 PHE 85 HD1 PHE 85 2.309 3.221 -7.986 701 HD2 PHE 85 HD2 PHE 85 3.711 4.652 -4.230 702 HE1 PHE 85 HE1 PHE 85 0.613 1.857 -6.837 703 HE2 PHE 85 HE2 PHE 85 2.016 3.288 -3.074 704 HZ PHE 85 HZ PHE 85 0.467 1.890 -4.379 705 H TRP 86 HN TRP 86 4.598 8.164 -7.068 706 HA TRP 86 HA TRP 86 2.727 8.800 -5.001 707 1HB TRP 86 HB2 TRP 86 5.248 9.395 -5.186 708 2HB TRP 86 HB1 TRP 86 4.690 10.745 -6.170 709 HD1 TRP 86 HD1 TRP 86 4.638 12.836 -4.766 710 HE1 TRP 86 HE1 TRP 86 3.944 13.454 -2.360 711 HE3 TRP 86 HE3 TRP 86 3.375 8.189 -3.084 712 HZ2 TRP 86 HZ2 TRP 86 2.984 12.127 -0.053 713 HZ3 TRP 86 HZ3 TRP 86 2.578 7.941 -0.770 714 HH2 TRP 86 HH2 TRP 86 2.385 9.871 0.711 715 H GLU 87 HN GLU 87 3.593 10.404 -8.074 716 HA GLU 87 HA GLU 87 1.498 12.276 -8.008 717 1HB GLU 87 HB2 GLU 87 3.015 11.139 -10.363 718 2HB GLU 87 HB1 GLU 87 1.941 12.527 -10.451 719 1HG GLU 87 HG2 GLU 87 3.360 13.812 -9.037 720 2HG GLU 87 HG1 GLU 87 4.354 12.405 -8.664 721 H ILE 88 HN ILE 88 1.505 8.947 -8.656 722 HA ILE 88 HA ILE 88 -0.917 8.973 -10.268 723 HB ILE 88 HB ILE 88 0.867 6.780 -9.255 724 1HG1 ILE 88 HG12 ILE 88 -0.176 7.314 -12.039 725 2HG1 ILE 88 HG11 ILE 88 1.277 8.085 -11.407 726 1HG2 ILE 88 HG21 ILE 88 -0.784 5.233 -10.489 727 2HG2 ILE 88 HG22 ILE 88 -1.954 6.528 -10.237 728 3HG2 ILE 88 HG23 ILE 88 -1.185 5.753 -8.852 729 1HD1 ILE 88 HD11 ILE 88 2.172 6.304 -12.519 730 2HD1 ILE 88 HD12 ILE 88 0.805 5.249 -12.158 731 3HD1 ILE 88 HD13 ILE 88 1.990 5.618 -10.905 732 H VAL 89 HN VAL 89 -0.004 7.446 -7.174 733 HA VAL 89 HA VAL 89 -2.468 6.742 -6.236 734 HB VAL 89 HB VAL 89 -0.060 7.766 -4.743 735 1HG1 VAL 89 HG11 VAL 89 -1.804 8.324 -3.259 736 2HG1 VAL 89 HG12 VAL 89 -1.189 6.769 -2.700 737 3HG1 VAL 89 HG13 VAL 89 -2.690 6.842 -3.620 738 1HG2 VAL 89 HG21 VAL 89 -1.270 5.010 -4.848 739 2HG2 VAL 89 HG22 VAL 89 0.301 5.471 -4.193 740 3HG2 VAL 89 HG23 VAL 89 0.006 5.565 -5.930 741 H VAL 90 HN VAL 90 -1.088 9.936 -6.428 742 HA VAL 90 HA VAL 90 -3.247 11.116 -4.869 743 HB VAL 90 HB VAL 90 -0.863 11.968 -4.736 744 1HG1 VAL 90 HG11 VAL 90 -0.458 11.903 -7.194 745 2HG1 VAL 90 HG12 VAL 90 -0.026 13.429 -6.421 746 3HG1 VAL 90 HG13 VAL 90 -1.520 13.302 -7.351 747 1HG2 VAL 90 HG21 VAL 90 -1.535 14.239 -4.426 748 2HG2 VAL 90 HG22 VAL 90 -2.890 13.206 -3.969 749 3HG2 VAL 90 HG23 VAL 90 -2.901 14.041 -5.522 750 H GLN 91 HN GLN 91 -2.034 11.063 -8.187 751 HA GLN 91 HA GLN 91 -3.725 12.725 -9.497 752 1HB GLN 91 HB2 GLN 91 -2.197 10.401 -10.224 753 2HB GLN 91 HB1 GLN 91 -3.732 10.380 -11.079 754 1HG GLN 91 HG2 GLN 91 -3.262 12.718 -11.819 755 2HG GLN 91 HG1 GLN 91 -1.654 12.552 -11.116 756 1HE2 GLN 91 HE21 GLN 91 -0.097 11.667 -12.305 757 2HE2 GLN 91 HE22 GLN 91 -0.325 10.882 -13.828 758 H ASP 92 HN ASP 92 -4.544 9.695 -7.989 759 HA ASP 92 HA ASP 92 -7.231 9.728 -9.152 760 1HB ASP 92 HB2 ASP 92 -5.616 7.779 -7.585 761 2HB ASP 92 HB1 ASP 92 -7.363 7.712 -7.376 762 H GLY 93 HN GLY 93 -5.673 9.915 -5.992 763 1HA GLY 93 HA2 GLY 93 -6.444 11.888 -4.617 764 2HA GLY 93 HA1 GLY 93 -8.072 11.330 -4.991 765 H ILE 94 HN ILE 94 -5.345 9.248 -4.179 766 HA ILE 94 HA ILE 94 -6.884 8.177 -1.953 767 HB ILE 94 HB ILE 94 -4.143 7.227 -2.718 768 1HG1 ILE 94 HG12 ILE 94 -6.715 6.311 -4.022 769 2HG1 ILE 94 HG11 ILE 94 -5.555 7.399 -4.783 770 1HG2 ILE 94 HG21 ILE 94 -4.929 5.115 -1.855 771 2HG2 ILE 94 HG22 ILE 94 -6.554 5.768 -1.651 772 3HG2 ILE 94 HG23 ILE 94 -5.227 6.383 -0.666 773 1HD1 ILE 94 HD11 ILE 94 -5.239 5.158 -5.595 774 2HD1 ILE 94 HD12 ILE 94 -5.061 4.550 -3.950 775 3HD1 ILE 94 HD13 ILE 94 -3.846 5.634 -4.625 776 H THR 95 HN THR 95 -5.992 7.958 0.180 777 HA THR 95 HA THR 95 -3.766 9.770 0.793 778 HB THR 95 HB THR 95 -4.899 10.851 2.573 779 HG1 THR 95 HG1 THR 95 -7.387 9.929 2.459 780 1HG2 THR 95 HG21 THR 95 -6.781 11.951 1.480 781 2HG2 THR 95 HG22 THR 95 -6.856 10.661 0.280 782 3HG2 THR 95 HG23 THR 95 -5.454 11.727 0.341 783 H LEU 96 HN LEU 96 -3.229 9.545 3.239 784 HA LEU 96 HA LEU 96 -2.604 6.780 3.660 785 1HB LEU 96 HB2 LEU 96 -1.690 9.313 4.652 786 2HB LEU 96 HB1 LEU 96 -2.060 8.258 6.006 787 HG LEU 96 HG LEU 96 -0.484 6.996 3.869 788 1HD1 LEU 96 HD11 LEU 96 0.814 9.064 5.622 789 2HD1 LEU 96 HD12 LEU 96 0.412 9.322 3.924 790 3HD1 LEU 96 HD13 LEU 96 1.574 8.075 4.376 791 1HD2 LEU 96 HD21 LEU 96 0.468 5.839 5.619 792 2HD2 LEU 96 HD22 LEU 96 -1.141 6.179 6.254 793 3HD2 LEU 96 HD23 LEU 96 0.233 7.161 6.761 794 H ILE 97 HN ILE 97 -2.712 6.386 6.301 795 HA ILE 97 HA ILE 97 -5.439 5.692 6.732 796 HB ILE 97 HB ILE 97 -2.859 5.256 8.099 797 1HG1 ILE 97 HG12 ILE 97 -3.978 2.979 8.419 798 2HG1 ILE 97 HG11 ILE 97 -5.303 3.616 7.445 799 1HG2 ILE 97 HG21 ILE 97 -5.429 5.424 9.636 800 2HG2 ILE 97 HG22 ILE 97 -3.866 6.156 10.009 801 3HG2 ILE 97 HG23 ILE 97 -4.084 4.411 10.163 802 1HD1 ILE 97 HD11 ILE 97 -3.858 3.902 5.558 803 2HD1 ILE 97 HD12 ILE 97 -3.659 2.261 6.171 804 3HD1 ILE 97 HD13 ILE 97 -2.440 3.487 6.522 805 H THR 98 HN THR 98 -6.970 7.050 7.452 806 HA THR 98 HA THR 98 -6.139 9.403 8.997 807 HB THR 98 HB THR 98 -8.935 9.318 8.129 808 HG1 THR 98 HG1 THR 98 -7.070 9.735 6.060 809 1HG2 THR 98 HG21 THR 98 -8.075 11.562 7.122 810 2HG2 THR 98 HG22 THR 98 -6.641 11.241 8.097 811 3HG2 THR 98 HG23 THR 98 -8.219 11.393 8.871 812 H LYS 99 HN LYS 99 -7.244 10.062 10.819 813 HA LYS 99 HA LYS 99 -7.602 8.744 12.966 814 1HB LYS 99 HB2 LYS 99 -9.623 10.694 11.897 815 2HB LYS 99 HB1 LYS 99 -9.714 10.061 13.535 816 1HG LYS 99 HG2 LYS 99 -7.613 11.032 14.106 817 2HG LYS 99 HG1 LYS 99 -7.307 11.485 12.427 818 1HD LYS 99 HD2 LYS 99 -9.285 12.973 12.514 819 2HD LYS 99 HD1 LYS 99 -9.476 12.573 14.222 820 1HE LYS 99 HE2 LYS 99 -6.799 13.498 13.413 821 2HE LYS 99 HE1 LYS 99 -8.084 14.700 13.310 822 1HZ LYS 99 HZ1 LYS 99 -8.584 14.399 15.602 823 2HZ LYS 99 HZ2 LYS 99 -6.914 14.637 15.480 824 3HZ LYS 99 HZ3 LYS 99 -7.530 13.083 15.734 825 H GLU 100 HN GLU 100 -10.899 9.158 11.990 826 HA GLU 100 HA GLU 100 -11.584 6.561 12.928 827 1HB GLU 100 HB2 GLU 100 -13.056 8.518 13.163 828 2HB GLU 100 HB1 GLU 100 -13.279 8.555 11.417 829 1HG GLU 100 HG2 GLU 100 -14.502 6.550 11.428 830 2HG GLU 100 HG1 GLU 100 -13.989 6.152 13.068 831 H GLU 101 HN GLU 101 -10.217 7.452 10.069 832 HA GLU 101 HA GLU 101 -11.722 5.726 8.313 833 1HB GLU 101 HB2 GLU 101 -9.169 7.296 8.024 834 2HB GLU 101 HB1 GLU 101 -9.680 6.151 6.789 835 1HG GLU 101 HG2 GLU 101 -11.926 7.494 6.917 836 2HG GLU 101 HG1 GLU 101 -10.883 8.754 7.581 837 H ALA 102 HN ALA 102 -9.867 5.095 10.833 838 HA ALA 102 HA ALA 102 -8.847 2.582 9.695 839 1HB ALA 102 HB1 ALA 102 -6.990 4.150 10.109 840 2HB ALA 102 HB2 ALA 102 -6.890 2.701 11.109 841 3HB ALA 102 HB3 ALA 102 -7.454 4.218 11.809 842 H SER 103 HN SER 103 -8.823 3.863 12.994 843 HA SER 103 HA SER 103 -10.999 2.742 14.147 844 1HB SER 103 HB2 SER 103 -10.619 0.525 13.515 845 2HB SER 103 HB1 SER 103 -8.871 0.666 13.707 846 HG SER 103 HG SER 103 -9.163 0.681 15.942 847 H GLY 104 HN GLY 104 -7.534 3.162 14.396 848 1HA GLY 104 HA2 GLY 104 -7.310 3.152 17.199 849 2HA GLY 104 HA1 GLY 104 -6.183 3.905 16.083 850 H SER 105 HN SER 105 -9.329 5.155 15.699 851 HA SER 105 HA SER 105 -10.311 7.104 16.281 852 1HB SER 105 HB2 SER 105 -8.571 7.132 18.748 853 2HB SER 105 HB1 SER 105 -10.136 7.917 18.521 854 HG SER 105 HG SER 105 -10.884 6.147 19.370 855 H SER 106 HN SER 106 -7.609 8.335 18.086 856 HA SER 106 HA SER 106 -7.372 10.497 16.284 857 1HB SER 106 HB2 SER 106 -5.404 11.098 17.769 858 2HB SER 106 HB1 SER 106 -6.959 10.935 18.585 859 HG SER 106 HG SER 106 -5.387 9.833 19.751 860 H VAL 107 HN VAL 107 -6.076 10.838 14.666 861 HA VAL 107 HA VAL 107 -3.721 9.130 14.261 862 HB VAL 107 HB VAL 107 -5.922 9.634 12.287 863 1HG1 VAL 107 HG11 VAL 107 -3.811 10.535 11.286 864 2HG1 VAL 107 HG12 VAL 107 -4.496 9.167 10.415 865 3HG1 VAL 107 HG13 VAL 107 -3.103 8.930 11.468 866 1HG2 VAL 107 HG21 VAL 107 -5.651 7.504 13.610 867 2HG2 VAL 107 HG22 VAL 107 -4.176 7.221 12.685 868 3HG2 VAL 107 HG23 VAL 107 -5.732 7.313 11.859 869 H THR 108 HN THR 108 -1.949 10.178 13.603 870 HA THR 108 HA THR 108 -1.620 12.853 14.093 871 HB THR 108 HB THR 108 0.083 11.741 11.948 872 HG1 THR 108 HG1 THR 108 -0.400 9.869 13.180 873 1HG2 THR 108 HG21 THR 108 0.546 13.030 14.633 874 2HG2 THR 108 HG22 THR 108 0.765 13.761 13.043 875 3HG2 THR 108 HG23 THR 108 1.844 12.473 13.578 876 H ALA 109 HN ALA 109 -1.492 14.707 12.887 877 HA ALA 109 HA ALA 109 -3.152 14.816 10.517 878 1HB ALA 109 HB1 ALA 109 -3.557 16.576 12.020 879 2HB ALA 109 HB2 ALA 109 -2.624 17.311 10.715 880 3HB ALA 109 HB3 ALA 109 -1.838 16.901 12.239 881 H GLU 110 HN GLU 110 0.076 14.354 11.201 882 HA GLU 110 HA GLU 110 1.138 15.741 8.878 883 1HB GLU 110 HB2 GLU 110 2.376 14.163 11.118 884 2HB GLU 110 HB1 GLU 110 3.302 14.581 9.682 885 1HG GLU 110 HG2 GLU 110 3.087 16.900 10.110 886 2HG GLU 110 HG1 GLU 110 1.882 16.622 11.366 887 H GLU 111 HN GLU 111 -0.122 12.700 9.705 888 HA GLU 111 HA GLU 111 1.347 11.199 7.727 889 1HB GLU 111 HB2 GLU 111 0.804 9.836 9.513 890 2HB GLU 111 HB1 GLU 111 -0.765 10.595 9.754 891 1HG GLU 111 HG2 GLU 111 -1.738 9.393 8.000 892 2HG GLU 111 HG1 GLU 111 -0.173 8.893 7.361 893 H ALA 112 HN ALA 112 -2.001 12.339 8.153 894 HA ALA 112 HA ALA 112 -2.693 11.402 5.508 895 1HB ALA 112 HB1 ALA 112 -4.954 12.410 6.155 896 2HB ALA 112 HB2 ALA 112 -4.248 12.616 7.759 897 3HB ALA 112 HB3 ALA 112 -4.385 11.004 7.053 898 H LYS 113 HN LYS 113 -2.309 14.533 7.142 899 HA LYS 113 HA LYS 113 -3.159 15.949 4.757 900 1HB LYS 113 HB2 LYS 113 -3.444 16.527 7.366 901 2HB LYS 113 HB1 LYS 113 -1.993 17.457 7.015 902 1HG LYS 113 HG2 LYS 113 -3.111 18.727 5.347 903 2HG LYS 113 HG1 LYS 113 -4.523 17.669 5.403 904 1HD LYS 113 HD2 LYS 113 -3.686 18.995 7.926 905 2HD LYS 113 HD1 LYS 113 -4.444 19.995 6.685 906 1HE LYS 113 HE2 LYS 113 -6.361 18.480 6.632 907 2HE LYS 113 HE1 LYS 113 -5.601 17.470 7.861 908 1HZ LYS 113 HZ1 LYS 113 -7.338 19.169 8.601 909 2HZ LYS 113 HZ2 LYS 113 -6.131 20.330 8.363 910 3HZ LYS 113 HZ3 LYS 113 -5.895 19.085 9.482 911 H LYS 114 HN LYS 114 -0.132 15.659 6.634 912 HA LYS 114 HA LYS 114 1.309 17.506 5.057 913 1HB LYS 114 HB2 LYS 114 1.784 16.146 7.380 914 2HB LYS 114 HB1 LYS 114 2.899 15.368 6.270 915 1HG LYS 114 HG2 LYS 114 2.926 18.266 6.055 916 2HG LYS 114 HG1 LYS 114 3.351 17.687 7.666 917 1HD LYS 114 HD2 LYS 114 4.762 15.991 6.039 918 2HD LYS 114 HD1 LYS 114 4.838 17.516 5.154 919 1HE LYS 114 HE2 LYS 114 6.702 17.104 6.805 920 2HE LYS 114 HE1 LYS 114 5.844 18.635 6.976 921 1HZ LYS 114 HZ1 LYS 114 6.286 16.818 8.955 922 2HZ LYS 114 HZ2 LYS 114 4.672 16.541 8.534 923 3HZ LYS 114 HZ3 LYS 114 5.167 18.087 9.007 924 H PHE 115 HN PHE 115 0.954 13.997 4.826 925 HA PHE 115 HA PHE 115 2.913 13.527 2.894 926 1HB PHE 115 HB2 PHE 115 0.475 12.110 3.829 927 2HB PHE 115 HB1 PHE 115 1.172 11.591 2.296 928 HD1 PHE 115 HD1 PHE 115 3.018 10.176 2.254 929 HD2 PHE 115 HD2 PHE 115 1.993 12.176 5.864 930 HE1 PHE 115 HE1 PHE 115 4.667 8.819 3.467 931 HE2 PHE 115 HE2 PHE 115 3.644 10.824 7.086 932 HZ PHE 115 HZ PHE 115 4.980 9.141 5.887 933 H LEU 116 HN LEU 116 -0.460 14.518 2.526 934 HA LEU 116 HA LEU 116 -0.171 14.506 -0.386 935 1HB LEU 116 HB2 LEU 116 -2.499 14.768 1.484 936 2HB LEU 116 HB1 LEU 116 -2.647 15.259 -0.193 937 HG LEU 116 HG LEU 116 -1.561 12.742 -0.413 938 1HD1 LEU 116 HD11 LEU 116 -2.025 12.589 2.108 939 2HD1 LEU 116 HD12 LEU 116 -2.579 11.270 1.075 940 3HD1 LEU 116 HD13 LEU 116 -3.724 12.484 1.645 941 1HD2 LEU 116 HD21 LEU 116 -3.672 12.121 -1.306 942 2HD2 LEU 116 HD22 LEU 116 -3.446 13.831 -1.669 943 3HD2 LEU 116 HD23 LEU 116 -4.510 13.344 -0.351 944 H ALA 117 HN ALA 117 0.966 16.523 1.700 945 HA ALA 117 HA ALA 117 0.030 18.925 0.271 946 1HB ALA 117 HB1 ALA 117 -0.704 18.866 2.636 947 2HB ALA 117 HB2 ALA 117 0.353 20.231 2.270 948 3HB ALA 117 HB3 ALA 117 0.989 18.827 3.128 949 HA PRO 118 HA PRO 118 4.307 19.440 -0.804 950 1HB PRO 118 HB2 PRO 118 4.256 21.952 -1.735 951 2HB PRO 118 HB1 PRO 118 3.437 20.636 -2.586 952 1HG PRO 118 HG2 PRO 118 2.291 22.725 -0.776 953 2HG PRO 118 HG1 PRO 118 1.654 22.099 -2.308 954 1HD PRO 118 HD2 PRO 118 0.789 21.282 0.168 955 2HD PRO 118 HD1 PRO 118 0.680 20.292 -1.300 956 H LYS 119 HN LYS 119 6.202 20.245 0.030 957 HA LYS 119 HA LYS 119 5.982 21.677 2.556 958 1HB LYS 119 HB2 LYS 119 8.167 20.124 1.204 959 2HB LYS 119 HB1 LYS 119 8.538 21.200 2.543 960 1HG LYS 119 HG2 LYS 119 7.136 19.956 4.023 961 2HG LYS 119 HG1 LYS 119 6.523 18.972 2.692 962 1HD LYS 119 HD2 LYS 119 8.870 18.175 2.322 963 2HD LYS 119 HD1 LYS 119 9.323 19.011 3.808 964 1HE LYS 119 HE2 LYS 119 7.335 17.635 4.820 965 2HE LYS 119 HE1 LYS 119 7.622 16.589 3.430 966 1HZ LYS 119 HZ1 LYS 119 9.821 17.396 5.231 967 2HZ LYS 119 HZ2 LYS 119 9.765 16.093 4.154 968 3HZ LYS 119 HZ3 LYS 119 8.846 16.055 5.574 969 H ASP 120 HN ASP 120 6.227 23.802 2.675 970 HA ASP 120 HA ASP 120 7.192 25.308 0.416 971 1HB ASP 120 HB2 ASP 120 6.702 27.283 1.890 972 2HB ASP 120 HB1 ASP 120 5.325 26.220 1.618 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -4.188 -10.386 -17.225 2 2H GLY 1 HT2 GLY 1 -4.404 -12.026 -17.580 3 3H GLY 1 HT3 GLY 1 -2.846 -11.368 -17.539 4 1HA GLY 1 HA1 GLY 1 -2.735 -12.135 -15.464 5 2HA GLY 1 HA2 GLY 1 -3.745 -10.750 -15.081 6 HA PRO 2 HA PRO 2 -6.721 -14.629 -15.606 7 1HB PRO 2 HB2 PRO 2 -4.729 -16.762 -15.071 8 2HB PRO 2 HB1 PRO 2 -6.078 -16.743 -16.210 9 1HG PRO 2 HG2 PRO 2 -3.564 -16.507 -17.065 10 2HG PRO 2 HG1 PRO 2 -4.879 -15.584 -17.818 11 1HD PRO 2 HD2 PRO 2 -2.799 -14.678 -15.867 12 2HD PRO 2 HD1 PRO 2 -3.472 -13.828 -17.275 13 H VAL 3 HN VAL 3 -4.114 -14.100 -13.425 14 HA VAL 3 HA VAL 3 -5.828 -14.946 -11.185 15 HB VAL 3 HB VAL 3 -4.014 -16.579 -11.462 16 1HG1 VAL 3 HG11 VAL 3 -1.722 -16.024 -11.301 17 2HG1 VAL 3 HG12 VAL 3 -2.081 -14.365 -10.822 18 3HG1 VAL 3 HG13 VAL 3 -2.415 -14.899 -12.469 19 1HG2 VAL 3 HG21 VAL 3 -3.311 -16.644 -9.196 20 2HG2 VAL 3 HG22 VAL 3 -4.918 -15.916 -9.208 21 3HG2 VAL 3 HG23 VAL 3 -3.490 -14.898 -9.021 22 H ASN 4 HN ASN 4 -5.808 -13.652 -9.366 23 HA ASN 4 HA ASN 4 -4.376 -11.095 -9.647 24 1HB ASN 4 HB2 ASN 4 -7.017 -11.275 -9.691 25 2HB ASN 4 HB1 ASN 4 -6.816 -11.323 -7.940 26 1HD2 ASN 4 HD21 ASN 4 -6.001 -9.462 -10.822 27 2HD2 ASN 4 HD22 ASN 4 -5.943 -7.927 -10.034 28 HA PRO 5 HA PRO 5 -2.181 -12.442 -5.982 29 1HB PRO 5 HB2 PRO 5 -1.454 -9.576 -5.805 30 2HB PRO 5 HB1 PRO 5 -0.411 -10.999 -5.885 31 1HG PRO 5 HG2 PRO 5 -0.675 -9.367 -7.982 32 2HG PRO 5 HG1 PRO 5 -0.534 -11.125 -8.195 33 1HD PRO 5 HD2 PRO 5 -2.970 -9.389 -8.320 34 2HD PRO 5 HD1 PRO 5 -2.514 -10.767 -9.343 35 H ALA 6 HN ALA 6 -4.195 -9.535 -6.056 36 HA ALA 6 HA ALA 6 -4.395 -9.257 -3.231 37 1HB ALA 6 HB1 ALA 6 -5.390 -7.893 -5.567 38 2HB ALA 6 HB2 ALA 6 -5.131 -7.280 -3.933 39 3HB ALA 6 HB3 ALA 6 -6.656 -8.064 -4.350 40 H GLU 7 HN GLU 7 -6.175 -11.064 -5.636 41 HA GLU 7 HA GLU 7 -8.360 -11.692 -3.862 42 1HB GLU 7 HB2 GLU 7 -7.582 -12.554 -6.634 43 2HB GLU 7 HB1 GLU 7 -8.870 -13.376 -5.764 44 1HG GLU 7 HG2 GLU 7 -10.036 -11.214 -5.518 45 2HG GLU 7 HG1 GLU 7 -8.774 -10.459 -6.490 46 H ASN 8 HN ASN 8 -5.546 -13.404 -5.175 47 HA ASN 8 HA ASN 8 -6.082 -15.900 -3.988 48 1HB ASN 8 HB2 ASN 8 -4.350 -15.210 -5.829 49 2HB ASN 8 HB1 ASN 8 -3.277 -14.952 -4.457 50 1HD2 ASN 8 HD21 ASN 8 -2.850 -16.747 -3.058 51 2HD2 ASN 8 HD22 ASN 8 -2.929 -18.359 -3.674 52 H PHE 9 HN PHE 9 -4.684 -12.974 -2.748 53 HA PHE 9 HA PHE 9 -3.568 -14.233 -0.402 54 1HB PHE 9 HB2 PHE 9 -2.300 -12.384 -0.797 55 2HB PHE 9 HB1 PHE 9 -3.619 -11.515 -1.570 56 HD1 PHE 9 HD1 PHE 9 -2.246 -12.512 1.720 57 HD2 PHE 9 HD2 PHE 9 -4.840 -9.893 -0.406 58 HE1 PHE 9 HE1 PHE 9 -2.537 -11.156 3.752 59 HE2 PHE 9 HE2 PHE 9 -5.136 -8.533 1.621 60 HZ PHE 9 HZ PHE 9 -3.984 -9.164 3.703 61 H ARG 10 HN ARG 10 -6.328 -12.135 -1.150 62 HA ARG 10 HA ARG 10 -7.307 -11.905 1.475 63 1HB ARG 10 HB2 ARG 10 -8.460 -11.514 -1.252 64 2HB ARG 10 HB1 ARG 10 -9.554 -11.556 0.125 65 1HG ARG 10 HG2 ARG 10 -8.380 -9.709 1.157 66 2HG ARG 10 HG1 ARG 10 -7.201 -9.697 -0.157 67 1HD ARG 10 HD2 ARG 10 -8.930 -9.108 -1.747 68 2HD ARG 10 HD1 ARG 10 -10.162 -9.223 -0.487 69 HE ARG 10 HE ARG 10 -8.011 -7.304 -0.071 70 1HH1 ARG 10 HH11 ARG 10 -11.306 -7.904 -1.029 71 2HH1 ARG 10 HH12 ARG 10 -11.802 -6.258 -0.821 72 1HH2 ARG 10 HH21 ARG 10 -8.655 -5.135 0.206 73 2HH2 ARG 10 HH22 ARG 10 -10.295 -4.683 -0.120 74 H VAL 11 HN VAL 11 -7.703 -14.391 -0.959 75 HA VAL 11 HA VAL 11 -9.862 -15.705 0.416 76 HB VAL 11 HB VAL 11 -9.615 -15.881 -2.032 77 1HG1 VAL 11 HG11 VAL 11 -7.110 -16.001 -1.992 78 2HG1 VAL 11 HG12 VAL 11 -7.897 -17.161 -3.061 79 3HG1 VAL 11 HG13 VAL 11 -7.267 -17.687 -1.500 80 1HG2 VAL 11 HG21 VAL 11 -10.189 -18.195 -2.211 81 2HG2 VAL 11 HG22 VAL 11 -10.811 -17.599 -0.672 82 3HG2 VAL 11 HG23 VAL 11 -9.342 -18.574 -0.711 83 H LEU 12 HN LEU 12 -6.367 -16.162 0.134 84 HA LEU 12 HA LEU 12 -6.268 -18.627 1.526 85 1HB LEU 12 HB2 LEU 12 -4.474 -17.301 0.079 86 2HB LEU 12 HB1 LEU 12 -3.978 -16.727 1.663 87 HG LEU 12 HG LEU 12 -4.322 -19.646 1.458 88 1HD1 LEU 12 HD11 LEU 12 -3.386 -19.205 -0.743 89 2HD1 LEU 12 HD12 LEU 12 -2.192 -19.977 0.302 90 3HD1 LEU 12 HD13 LEU 12 -2.097 -18.245 -0.016 91 1HD2 LEU 12 HD21 LEU 12 -2.220 -19.598 2.723 92 2HD2 LEU 12 HD22 LEU 12 -3.457 -18.582 3.461 93 3HD2 LEU 12 HD23 LEU 12 -2.153 -17.846 2.530 94 H VAL 13 HN VAL 13 -6.549 -15.347 2.530 95 HA VAL 13 HA VAL 13 -5.867 -16.015 5.303 96 HB VAL 13 HB VAL 13 -5.932 -13.638 5.783 97 1HG1 VAL 13 HG11 VAL 13 -4.346 -14.337 3.318 98 2HG1 VAL 13 HG12 VAL 13 -3.836 -14.503 4.998 99 3HG1 VAL 13 HG13 VAL 13 -4.078 -12.900 4.305 100 1HG2 VAL 13 HG21 VAL 13 -6.919 -13.412 2.956 101 2HG2 VAL 13 HG22 VAL 13 -6.172 -12.056 3.801 102 3HG2 VAL 13 HG23 VAL 13 -7.650 -12.782 4.433 103 H LYS 14 HN LYS 14 -8.530 -16.103 3.380 104 HA LYS 14 HA LYS 14 -10.374 -15.242 5.501 105 1HB LYS 14 HB2 LYS 14 -10.504 -15.313 2.570 106 2HB LYS 14 HB1 LYS 14 -11.964 -15.885 3.364 107 1HG LYS 14 HG2 LYS 14 -11.878 -13.743 4.728 108 2HG LYS 14 HG1 LYS 14 -10.666 -13.189 3.572 109 1HD LYS 14 HD2 LYS 14 -12.277 -13.576 1.742 110 2HD LYS 14 HD1 LYS 14 -13.488 -14.049 2.936 111 1HE LYS 14 HE2 LYS 14 -13.535 -11.868 3.875 112 2HE LYS 14 HE1 LYS 14 -12.105 -11.375 2.968 113 1HZ LYS 14 HZ1 LYS 14 -14.857 -11.789 1.990 114 2HZ LYS 14 HZ2 LYS 14 -13.546 -11.863 0.925 115 3HZ LYS 14 HZ3 LYS 14 -13.850 -10.444 1.793 116 H GLN 15 HN GLN 15 -9.769 -17.966 3.304 117 HA GLN 15 HA GLN 15 -11.693 -19.642 4.673 118 1HB GLN 15 HB2 GLN 15 -9.707 -20.817 2.802 119 2HB GLN 15 HB1 GLN 15 -11.432 -21.145 2.963 120 1HG GLN 15 HG2 GLN 15 -10.442 -18.553 1.827 121 2HG GLN 15 HG1 GLN 15 -10.616 -19.995 0.831 122 1HE2 GLN 15 HE21 GLN 15 -12.443 -18.082 3.196 123 2HE2 GLN 15 HE22 GLN 15 -13.961 -18.208 2.380 124 H LYS 16 HN LYS 16 -8.698 -18.627 5.478 125 HA LYS 16 HA LYS 16 -8.296 -20.681 7.377 126 1HB LYS 16 HB2 LYS 16 -7.510 -21.852 5.331 127 2HB LYS 16 HB1 LYS 16 -6.320 -20.578 5.091 128 1HG LYS 16 HG2 LYS 16 -5.729 -21.262 7.599 129 2HG LYS 16 HG1 LYS 16 -6.361 -22.803 7.009 130 1HD LYS 16 HD2 LYS 16 -4.698 -21.866 4.971 131 2HD LYS 16 HD1 LYS 16 -3.826 -21.528 6.467 132 1HE LYS 16 HE2 LYS 16 -5.083 -24.204 5.989 133 2HE LYS 16 HE1 LYS 16 -3.498 -23.819 5.321 134 1HZ LYS 16 HZ1 LYS 16 -2.541 -23.774 7.369 135 2HZ LYS 16 HZ2 LYS 16 -3.761 -24.904 7.679 136 3HZ LYS 16 HZ3 LYS 16 -3.957 -23.295 8.163 137 H LYS 17 HN LYS 17 -7.267 -19.765 9.044 138 HA LYS 17 HA LYS 17 -6.167 -17.143 8.639 139 1HB LYS 17 HB2 LYS 17 -6.475 -18.783 11.161 140 2HB LYS 17 HB1 LYS 17 -5.909 -17.118 11.115 141 1HG LYS 17 HG2 LYS 17 -8.520 -17.730 9.847 142 2HG LYS 17 HG1 LYS 17 -8.429 -17.730 11.609 143 1HD LYS 17 HD2 LYS 17 -7.202 -15.447 11.248 144 2HD LYS 17 HD1 LYS 17 -8.017 -15.484 9.683 145 1HE LYS 17 HE2 LYS 17 -10.165 -15.609 10.734 146 2HE LYS 17 HE1 LYS 17 -9.430 -15.817 12.324 147 1HZ LYS 17 HZ1 LYS 17 -10.240 -13.543 11.906 148 2HZ LYS 17 HZ2 LYS 17 -9.127 -13.389 10.641 149 3HZ LYS 17 HZ3 LYS 17 -8.579 -13.594 12.228 150 H ALA 18 HN ALA 18 -4.359 -17.729 7.339 151 HA ALA 18 HA ALA 18 -2.269 -19.362 8.502 152 1HB ALA 18 HB1 ALA 18 -1.070 -18.501 6.334 153 2HB ALA 18 HB2 ALA 18 -2.708 -18.041 5.866 154 3HB ALA 18 HB3 ALA 18 -2.336 -19.724 6.236 155 H SER 19 HN SER 19 -3.135 -16.715 9.665 156 HA SER 19 HA SER 19 -2.175 -14.988 10.777 157 1HB SER 19 HB2 SER 19 0.550 -16.040 10.052 158 2HB SER 19 HB1 SER 19 0.046 -15.188 11.514 159 HG SER 19 HG SER 19 -0.129 -17.127 12.305 160 H PHE 20 HN PHE 20 -1.690 -12.917 10.303 161 HA PHE 20 HA PHE 20 -1.317 -12.220 7.536 162 1HB PHE 20 HB2 PHE 20 -2.669 -11.031 9.511 163 2HB PHE 20 HB1 PHE 20 -1.149 -10.165 9.688 164 HD1 PHE 20 HD1 PHE 20 -0.233 -8.921 7.699 165 HD2 PHE 20 HD2 PHE 20 -4.189 -10.481 7.822 166 HE1 PHE 20 HE1 PHE 20 -0.884 -7.403 5.876 167 HE2 PHE 20 HE2 PHE 20 -4.848 -8.968 5.998 168 HZ PHE 20 HZ PHE 20 -3.194 -7.425 5.023 169 H GLU 21 HN GLU 21 0.874 -13.547 7.911 170 HA GLU 21 HA GLU 21 2.977 -11.527 8.307 171 1HB GLU 21 HB2 GLU 21 2.572 -13.813 9.877 172 2HB GLU 21 HB1 GLU 21 3.927 -14.207 8.828 173 1HG GLU 21 HG2 GLU 21 5.150 -12.291 9.593 174 2HG GLU 21 HG1 GLU 21 3.765 -11.733 10.531 175 H GLU 22 HN GLU 22 2.807 -14.905 7.161 176 HA GLU 22 HA GLU 22 4.770 -14.584 5.185 177 1HB GLU 22 HB2 GLU 22 2.701 -16.632 5.806 178 2HB GLU 22 HB1 GLU 22 3.440 -16.681 4.212 179 1HG GLU 22 HG2 GLU 22 4.910 -18.016 5.267 180 2HG GLU 22 HG1 GLU 22 5.650 -16.474 5.696 181 H ALA 23 HN ALA 23 1.227 -14.519 4.960 182 HA ALA 23 HA ALA 23 1.042 -14.177 2.186 183 1HB ALA 23 HB1 ALA 23 -0.755 -14.542 4.157 184 2HB ALA 23 HB2 ALA 23 -1.181 -14.012 2.530 185 3HB ALA 23 HB3 ALA 23 -1.002 -12.827 3.825 186 H SER 24 HN SER 24 1.298 -11.798 4.802 187 HA SER 24 HA SER 24 0.967 -9.509 3.183 188 1HB SER 24 HB2 SER 24 2.442 -8.543 5.222 189 2HB SER 24 HB1 SER 24 0.719 -8.891 5.364 190 HG SER 24 HG SER 24 1.175 -10.767 6.402 191 H ASN 25 HN ASN 25 3.916 -11.012 4.506 192 HA ASN 25 HA ASN 25 5.802 -9.359 3.353 193 1HB ASN 25 HB2 ASN 25 5.778 -12.145 4.347 194 2HB ASN 25 HB1 ASN 25 7.098 -11.736 3.254 195 1HD2 ASN 25 HD21 ASN 25 5.534 -10.910 6.278 196 2HD2 ASN 25 HD22 ASN 25 6.901 -10.130 6.990 197 H GLN 26 HN GLN 26 4.407 -12.337 1.994 198 HA GLN 26 HA GLN 26 5.798 -12.371 -0.413 199 1HB GLN 26 HB2 GLN 26 3.163 -13.444 0.491 200 2HB GLN 26 HB1 GLN 26 3.527 -13.470 -1.228 201 1HG GLN 26 HG2 GLN 26 5.631 -14.693 -0.689 202 2HG GLN 26 HG1 GLN 26 5.078 -14.791 0.985 203 1HE2 GLN 26 HE21 GLN 26 3.563 -16.270 1.539 204 2HE2 GLN 26 HE22 GLN 26 2.902 -17.434 0.447 205 H LEU 27 HN LEU 27 2.685 -10.852 0.365 206 HA LEU 27 HA LEU 27 2.089 -9.799 -2.130 207 1HB LEU 27 HB2 LEU 27 1.098 -9.549 0.506 208 2HB LEU 27 HB1 LEU 27 1.358 -7.918 -0.088 209 HG LEU 27 HG LEU 27 -0.354 -10.033 -1.397 210 1HD1 LEU 27 HD11 LEU 27 -1.034 -8.649 0.765 211 2HD1 LEU 27 HD12 LEU 27 -2.184 -9.019 -0.519 212 3HD1 LEU 27 HD13 LEU 27 -1.416 -7.433 -0.455 213 1HD2 LEU 27 HD21 LEU 27 -1.016 -8.229 -2.936 214 2HD2 LEU 27 HD22 LEU 27 0.692 -8.643 -3.083 215 3HD2 LEU 27 HD23 LEU 27 0.209 -7.185 -2.216 216 H ILE 28 HN ILE 28 3.907 -8.269 0.542 217 HA ILE 28 HA ILE 28 4.463 -5.858 -0.717 218 HB ILE 28 HB ILE 28 5.915 -7.407 1.406 219 1HG1 ILE 28 HG12 ILE 28 5.141 -4.761 2.141 220 2HG1 ILE 28 HG11 ILE 28 3.779 -5.522 1.320 221 1HG2 ILE 28 HG21 ILE 28 6.820 -4.924 0.003 222 2HG2 ILE 28 HG22 ILE 28 7.755 -6.337 0.490 223 3HG2 ILE 28 HG23 ILE 28 7.209 -5.181 1.705 224 1HD1 ILE 28 HD11 ILE 28 4.765 -5.928 3.977 225 2HD1 ILE 28 HD12 ILE 28 4.772 -7.447 3.081 226 3HD1 ILE 28 HD13 ILE 28 3.282 -6.518 3.226 227 H ASN 29 HN ASN 29 6.267 -8.929 -0.813 228 HA ASN 29 HA ASN 29 8.477 -7.993 -2.261 229 1HB ASN 29 HB2 ASN 29 7.388 -10.560 -1.447 230 2HB ASN 29 HB1 ASN 29 8.081 -10.641 -3.064 231 1HD2 ASN 29 HD21 ASN 29 8.700 -10.444 0.279 232 2HD2 ASN 29 HD22 ASN 29 10.425 -10.412 0.194 233 H HIS 30 HN HIS 30 5.412 -9.428 -3.324 234 HA HIS 30 HA HIS 30 5.899 -9.498 -6.062 235 1HB HIS 30 HB2 HIS 30 3.491 -9.423 -4.339 236 2HB HIS 30 HB1 HIS 30 3.250 -8.908 -6.007 237 HD1 HIS 30 HD1 HIS 30 4.163 -10.742 -7.841 238 HD2 HIS 30 HD2 HIS 30 3.373 -12.106 -3.996 239 HE1 HIS 30 HE1 HIS 30 3.932 -13.238 -8.048 240 HE2 HIS 30 HE2 HIS 30 3.363 -14.030 -5.725 241 H ILE 31 HN ILE 31 4.502 -6.918 -4.074 242 HA ILE 31 HA ILE 31 4.074 -5.024 -6.067 243 HB ILE 31 HB ILE 31 4.937 -4.506 -3.215 244 1HG1 ILE 31 HG12 ILE 31 2.138 -4.469 -4.344 245 2HG1 ILE 31 HG11 ILE 31 2.842 -5.903 -3.602 246 1HG2 ILE 31 HG21 ILE 31 3.639 -2.699 -5.250 247 2HG2 ILE 31 HG22 ILE 31 5.248 -2.526 -4.549 248 3HG2 ILE 31 HG23 ILE 31 3.819 -2.317 -3.537 249 1HD1 ILE 31 HD11 ILE 31 3.277 -4.350 -1.585 250 2HD1 ILE 31 HD12 ILE 31 1.647 -4.958 -1.873 251 3HD1 ILE 31 HD13 ILE 31 2.069 -3.311 -2.341 252 H GLU 32 HN GLU 32 6.949 -5.501 -4.027 253 HA GLU 32 HA GLU 32 8.556 -3.496 -5.051 254 1HB GLU 32 HB2 GLU 32 9.142 -6.174 -3.838 255 2HB GLU 32 HB1 GLU 32 10.459 -5.204 -4.483 256 1HG GLU 32 HG2 GLU 32 9.866 -3.378 -2.987 257 2HG GLU 32 HG1 GLU 32 8.519 -4.326 -2.355 258 H GLN 33 HN GLN 33 8.159 -6.824 -6.216 259 HA GLN 33 HA GLN 33 10.049 -6.729 -8.279 260 1HB GLN 33 HB2 GLN 33 7.662 -8.396 -7.666 261 2HB GLN 33 HB1 GLN 33 8.279 -8.452 -9.311 262 1HG GLN 33 HG2 GLN 33 10.444 -9.161 -8.521 263 2HG GLN 33 HG1 GLN 33 9.918 -8.993 -6.846 264 1HE2 GLN 33 HE21 GLN 33 10.168 -11.050 -9.501 265 2HE2 GLN 33 HE22 GLN 33 9.245 -12.373 -8.884 266 H PHE 34 HN PHE 34 6.569 -6.056 -8.312 267 HA PHE 34 HA PHE 34 6.252 -5.424 -10.980 268 1HB PHE 34 HB2 PHE 34 4.848 -4.644 -8.477 269 2HB PHE 34 HB1 PHE 34 4.491 -3.712 -9.926 270 HD1 PHE 34 HD1 PHE 34 3.856 -5.074 -12.035 271 HD2 PHE 34 HD2 PHE 34 3.721 -6.617 -8.072 272 HE1 PHE 34 HE1 PHE 34 2.290 -6.822 -12.774 273 HE2 PHE 34 HE2 PHE 34 2.156 -8.369 -8.804 274 HZ PHE 34 HZ PHE 34 1.438 -8.474 -11.158 275 H LEU 35 HN LEU 35 7.645 -3.484 -8.404 276 HA LEU 35 HA LEU 35 7.630 -1.021 -9.829 277 1HB LEU 35 HB2 LEU 35 9.156 -2.017 -7.435 278 2HB LEU 35 HB1 LEU 35 9.419 -0.414 -8.102 279 HG LEU 35 HG LEU 35 6.601 -1.046 -7.548 280 1HD1 LEU 35 HD11 LEU 35 7.158 -0.422 -5.056 281 2HD1 LEU 35 HD12 LEU 35 8.688 -1.211 -5.433 282 3HD1 LEU 35 HD13 LEU 35 7.173 -2.099 -5.601 283 1HD2 LEU 35 HD21 LEU 35 7.658 1.173 -8.231 284 2HD2 LEU 35 HD22 LEU 35 8.254 1.263 -6.574 285 3HD2 LEU 35 HD23 LEU 35 6.520 1.201 -6.885 286 H ASP 36 HN ASP 36 9.573 -3.819 -10.014 287 HA ASP 36 HA ASP 36 12.006 -2.645 -10.888 288 1HB ASP 36 HB2 ASP 36 11.706 -5.007 -10.024 289 2HB ASP 36 HB1 ASP 36 11.012 -5.408 -11.592 290 H THR 37 HN THR 37 8.994 -2.864 -12.338 291 HA THR 37 HA THR 37 10.165 -2.425 -15.003 292 HB THR 37 HB THR 37 7.408 -3.245 -15.166 293 HG1 THR 37 HG1 THR 37 7.851 -5.461 -14.469 294 1HG2 THR 37 HG21 THR 37 9.372 -3.304 -16.861 295 2HG2 THR 37 HG22 THR 37 8.187 -4.610 -16.879 296 3HG2 THR 37 HG23 THR 37 9.755 -4.851 -16.108 297 H ASN 38 HN ASN 38 10.036 -0.319 -15.381 298 HA ASN 38 HA ASN 38 8.027 1.357 -14.222 299 1HB ASN 38 HB2 ASN 38 10.490 1.920 -14.922 300 2HB ASN 38 HB1 ASN 38 9.765 2.245 -16.496 301 1HD2 ASN 38 HD21 ASN 38 9.840 3.171 -13.129 302 2HD2 ASN 38 HD22 ASN 38 9.148 4.739 -13.344 303 H GLU 39 HN GLU 39 6.378 -0.233 -15.319 304 HA GLU 39 HA GLU 39 5.558 0.987 -17.871 305 1HB GLU 39 HB2 GLU 39 5.312 -1.859 -16.912 306 2HB GLU 39 HB1 GLU 39 4.339 -1.231 -18.234 307 1HG GLU 39 HG2 GLU 39 7.278 -0.866 -18.374 308 2HG GLU 39 HG1 GLU 39 6.624 -2.480 -18.646 309 H THR 40 HN THR 40 3.195 0.966 -18.243 310 HA THR 40 HA THR 40 1.840 2.035 -15.976 311 HB THR 40 HB THR 40 0.609 1.296 -18.632 312 HG1 THR 40 HG1 THR 40 1.554 3.012 -19.440 313 1HG2 THR 40 HG21 THR 40 -0.970 3.109 -18.068 314 2HG2 THR 40 HG22 THR 40 -0.186 3.280 -16.499 315 3HG2 THR 40 HG23 THR 40 -1.027 1.784 -16.905 316 HA PRO 41 HA PRO 41 -0.886 -2.003 -16.426 317 1HB PRO 41 HB2 PRO 41 1.098 -3.893 -17.538 318 2HB PRO 41 HB1 PRO 41 -0.608 -3.678 -17.949 319 1HG PRO 41 HG2 PRO 41 1.329 -2.876 -19.610 320 2HG PRO 41 HG1 PRO 41 -0.173 -1.950 -19.424 321 1HD PRO 41 HD2 PRO 41 2.536 -1.425 -18.259 322 2HD PRO 41 HD1 PRO 41 1.364 -0.283 -18.948 323 H TYR 42 HN TYR 42 2.489 -1.862 -15.639 324 HA TYR 42 HA TYR 42 2.325 -3.991 -13.671 325 1HB TYR 42 HB2 TYR 42 4.527 -2.174 -14.620 326 2HB TYR 42 HB1 TYR 42 4.720 -3.149 -13.166 327 HD1 TYR 42 HD1 TYR 42 5.428 -5.368 -13.330 328 HD2 TYR 42 HD2 TYR 42 3.903 -3.416 -16.790 329 HE1 TYR 42 HE1 TYR 42 6.097 -7.294 -14.705 330 HE2 TYR 42 HE2 TYR 42 4.567 -5.336 -18.174 331 HH TYR 42 HH TYR 42 5.747 -7.253 -18.220 332 H PHE 43 HN PHE 43 2.938 -0.477 -13.642 333 HA PHE 43 HA PHE 43 2.956 -0.231 -10.836 334 1HB PHE 43 HB2 PHE 43 2.787 1.632 -13.134 335 2HB PHE 43 HB1 PHE 43 2.174 2.238 -11.597 336 HD1 PHE 43 HD1 PHE 43 5.051 1.737 -13.596 337 HD2 PHE 43 HD2 PHE 43 3.734 1.990 -9.558 338 HE1 PHE 43 HE1 PHE 43 7.351 2.242 -12.881 339 HE2 PHE 43 HE2 PHE 43 6.030 2.498 -8.836 340 HZ PHE 43 HZ PHE 43 7.842 2.625 -10.499 341 H MET 44 HN MET 44 0.388 -0.373 -13.173 342 HA MET 44 HA MET 44 -1.695 0.739 -11.656 343 1HB MET 44 HB2 MET 44 -1.509 -1.105 -13.983 344 2HB MET 44 HB1 MET 44 -3.038 -1.066 -13.112 345 1HG MET 44 HG2 MET 44 -2.686 1.548 -13.390 346 2HG MET 44 HG1 MET 44 -1.743 1.010 -14.777 347 1HE MET 44 HE1 MET 44 -5.457 2.337 -15.723 348 2HE MET 44 HE2 MET 44 -3.836 2.473 -16.405 349 3HE MET 44 HE3 MET 44 -4.119 2.889 -14.715 350 H LYS 45 HN LYS 45 -0.045 -2.280 -11.468 351 HA LYS 45 HA LYS 45 -2.059 -3.657 -9.954 352 1HB LYS 45 HB2 LYS 45 -0.086 -4.599 -11.417 353 2HB LYS 45 HB1 LYS 45 0.832 -4.444 -9.924 354 1HG LYS 45 HG2 LYS 45 0.085 -6.478 -9.426 355 2HG LYS 45 HG1 LYS 45 -1.477 -5.715 -9.122 356 1HD LYS 45 HD2 LYS 45 -1.751 -5.996 -11.723 357 2HD LYS 45 HD1 LYS 45 -0.545 -7.263 -11.491 358 1HE LYS 45 HE2 LYS 45 -1.944 -8.500 -10.088 359 2HE LYS 45 HE1 LYS 45 -3.001 -7.124 -9.778 360 1HZ LYS 45 HZ1 LYS 45 -3.451 -9.097 -11.591 361 2HZ LYS 45 HZ2 LYS 45 -2.873 -7.832 -12.554 362 3HZ LYS 45 HZ3 LYS 45 -4.223 -7.592 -11.563 363 H SER 46 HN SER 46 1.197 -2.450 -9.135 364 HA SER 46 HA SER 46 1.267 -2.718 -6.473 365 1HB SER 46 HB2 SER 46 2.155 -0.071 -6.796 366 2HB SER 46 HB1 SER 46 3.135 -1.538 -6.857 367 HG SER 46 HG SER 46 2.944 -1.576 -9.050 368 H ILE 47 HN ILE 47 -0.318 0.056 -8.075 369 HA ILE 47 HA ILE 47 -1.332 1.296 -5.817 370 HB ILE 47 HB ILE 47 -2.842 1.067 -8.421 371 1HG1 ILE 47 HG12 ILE 47 -0.767 3.146 -7.716 372 2HG1 ILE 47 HG11 ILE 47 -0.410 1.722 -8.687 373 1HG2 ILE 47 HG21 ILE 47 -2.777 3.237 -6.328 374 2HG2 ILE 47 HG22 ILE 47 -4.079 2.072 -6.568 375 3HG2 ILE 47 HG23 ILE 47 -3.718 3.261 -7.819 376 1HD1 ILE 47 HD11 ILE 47 -0.820 3.220 -10.339 377 2HD1 ILE 47 HD12 ILE 47 -1.962 4.149 -9.367 378 3HD1 ILE 47 HD13 ILE 47 -2.460 2.620 -10.092 379 H ASP 48 HN ASP 48 -2.852 -1.228 -7.808 380 HA ASP 48 HA ASP 48 -5.182 -1.494 -6.225 381 1HB ASP 48 HB2 ASP 48 -3.864 -3.081 -8.374 382 2HB ASP 48 HB1 ASP 48 -5.054 -3.909 -7.369 383 H CYS 49 HN CYS 49 -1.965 -2.499 -5.790 384 HA CYS 49 HA CYS 49 -2.551 -4.701 -4.016 385 1HB CYS 49 HB2 CYS 49 -0.087 -3.407 -5.077 386 2HB CYS 49 HB1 CYS 49 0.044 -4.266 -3.544 387 HG CYS 49 HG CYS 49 0.933 -5.995 -5.509 388 H ILE 50 HN ILE 50 -1.253 -1.387 -3.708 389 HA ILE 50 HA ILE 50 -1.000 -1.385 -0.917 390 HB ILE 50 HB ILE 50 -0.625 0.462 -3.031 391 1HG1 ILE 50 HG12 ILE 50 -0.078 1.209 -0.188 392 2HG1 ILE 50 HG11 ILE 50 0.730 -0.203 -0.869 393 1HG2 ILE 50 HG21 ILE 50 -1.519 2.540 -2.145 394 2HG2 ILE 50 HG22 ILE 50 -2.307 1.660 -0.836 395 3HG2 ILE 50 HG23 ILE 50 -2.821 1.405 -2.504 396 1HD1 ILE 50 HD11 ILE 50 1.406 2.532 -1.137 397 2HD1 ILE 50 HD12 ILE 50 0.974 1.912 -2.730 398 3HD1 ILE 50 HD13 ILE 50 2.237 1.120 -1.789 399 H ARG 51 HN ARG 51 -3.698 -1.178 -3.004 400 HA ARG 51 HA ARG 51 -5.499 0.083 -1.149 401 1HB ARG 51 HB2 ARG 51 -5.850 -1.322 -3.789 402 2HB ARG 51 HB1 ARG 51 -7.233 -0.811 -2.833 403 1HG ARG 51 HG2 ARG 51 -5.727 1.462 -2.902 404 2HG ARG 51 HG1 ARG 51 -5.410 0.755 -4.486 405 1HD ARG 51 HD2 ARG 51 -8.221 0.653 -3.709 406 2HD ARG 51 HD1 ARG 51 -7.585 2.293 -3.824 407 HE ARG 51 HE ARG 51 -6.754 0.971 -6.104 408 1HH1 ARG 51 HH11 ARG 51 -9.779 1.846 -4.613 409 2HH1 ARG 51 HH12 ARG 51 -10.631 1.973 -6.117 410 1HH2 ARG 51 HH21 ARG 51 -7.866 1.135 -8.087 411 2HH2 ARG 51 HH22 ARG 51 -9.544 1.569 -8.091 412 H ALA 52 HN ALA 52 -5.213 -3.201 -2.499 413 HA ALA 52 HA ALA 52 -7.133 -4.397 -0.846 414 1HB ALA 52 HB1 ALA 52 -4.699 -5.751 -1.995 415 2HB ALA 52 HB2 ALA 52 -6.164 -5.395 -2.910 416 3HB ALA 52 HB3 ALA 52 -6.227 -6.504 -1.539 417 H PHE 53 HN PHE 53 -3.742 -3.715 -0.311 418 HA PHE 53 HA PHE 53 -3.520 -5.306 2.058 419 1HB PHE 53 HB2 PHE 53 -1.672 -4.433 0.405 420 2HB PHE 53 HB1 PHE 53 -1.665 -3.034 1.475 421 HD1 PHE 53 HD1 PHE 53 -0.197 -6.122 0.854 422 HD2 PHE 53 HD2 PHE 53 -1.561 -3.681 4.062 423 HE1 PHE 53 HE1 PHE 53 1.296 -7.321 2.397 424 HE2 PHE 53 HE2 PHE 53 -0.070 -4.876 5.611 425 HZ PHE 53 HZ PHE 53 1.362 -6.699 4.779 426 H ARG 54 HN ARG 54 -3.550 -1.762 1.543 427 HA ARG 54 HA ARG 54 -3.555 -1.021 4.214 428 1HB ARG 54 HB2 ARG 54 -4.267 1.134 3.529 429 2HB ARG 54 HB1 ARG 54 -3.257 0.498 2.237 430 1HG ARG 54 HG2 ARG 54 -4.871 0.915 0.807 431 2HG ARG 54 HG1 ARG 54 -5.899 -0.255 1.638 432 1HD ARG 54 HD2 ARG 54 -6.871 1.404 2.992 433 2HD ARG 54 HD1 ARG 54 -5.611 2.577 2.599 434 HE ARG 54 HE ARG 54 -6.710 2.182 0.207 435 1HH1 ARG 54 HH11 ARG 54 -8.182 2.729 3.316 436 2HH1 ARG 54 HH12 ARG 54 -9.577 3.519 2.661 437 1HH2 ARG 54 HH21 ARG 54 -8.543 3.221 -0.665 438 2HH2 ARG 54 HH22 ARG 54 -9.783 3.798 0.398 439 H GLU 55 HN GLU 55 -6.202 -2.129 2.220 440 HA GLU 55 HA GLU 55 -8.278 -1.299 3.993 441 1HB GLU 55 HB2 GLU 55 -8.425 -1.913 1.481 442 2HB GLU 55 HB1 GLU 55 -8.539 -3.574 2.047 443 1HG GLU 55 HG2 GLU 55 -10.533 -3.053 3.300 444 2HG GLU 55 HG1 GLU 55 -10.394 -1.349 2.866 445 H GLU 56 HN GLU 56 -6.850 -4.495 3.293 446 HA GLU 56 HA GLU 56 -8.278 -5.870 5.302 447 1HB GLU 56 HB2 GLU 56 -5.707 -6.493 3.851 448 2HB GLU 56 HB1 GLU 56 -6.426 -7.593 5.023 449 1HG GLU 56 HG2 GLU 56 -8.381 -6.753 3.089 450 2HG GLU 56 HG1 GLU 56 -6.960 -7.428 2.293 451 H ALA 57 HN ALA 57 -5.557 -3.788 5.427 452 HA ALA 57 HA ALA 57 -4.529 -4.824 7.922 453 1HB ALA 57 HB1 ALA 57 -2.784 -3.975 6.719 454 2HB ALA 57 HB2 ALA 57 -3.191 -2.562 7.695 455 3HB ALA 57 HB3 ALA 57 -3.751 -2.672 6.026 456 H ILE 58 HN ILE 58 -5.839 -1.653 6.901 457 HA ILE 58 HA ILE 58 -6.137 -0.621 9.484 458 HB ILE 58 HB ILE 58 -7.672 1.016 8.556 459 1HG1 ILE 58 HG12 ILE 58 -7.762 0.420 5.815 460 2HG1 ILE 58 HG11 ILE 58 -8.179 -1.086 6.632 461 1HG2 ILE 58 HG21 ILE 58 -6.222 1.709 6.534 462 2HG2 ILE 58 HG22 ILE 58 -5.236 0.313 6.972 463 3HG2 ILE 58 HG23 ILE 58 -5.480 1.621 8.131 464 1HD1 ILE 58 HD11 ILE 58 -9.525 1.576 7.038 465 2HD1 ILE 58 HD12 ILE 58 -9.946 0.070 7.855 466 3HD1 ILE 58 HD13 ILE 58 -10.159 0.216 6.110 467 H LYS 59 HN LYS 59 -8.293 -2.574 7.509 468 HA LYS 59 HA LYS 59 -10.630 -2.434 8.934 469 1HB LYS 59 HB2 LYS 59 -9.346 -4.487 7.231 470 2HB LYS 59 HB1 LYS 59 -10.638 -5.055 8.277 471 1HG LYS 59 HG2 LYS 59 -11.895 -2.962 7.276 472 2HG LYS 59 HG1 LYS 59 -10.746 -3.213 5.958 473 1HD LYS 59 HD2 LYS 59 -11.579 -5.332 5.472 474 2HD LYS 59 HD1 LYS 59 -12.337 -5.502 7.056 475 1HE LYS 59 HE2 LYS 59 -14.126 -4.138 6.489 476 2HE LYS 59 HE1 LYS 59 -13.243 -3.361 5.175 477 1HZ LYS 59 HZ1 LYS 59 -14.786 -4.790 4.167 478 2HZ LYS 59 HZ2 LYS 59 -14.434 -6.070 5.215 479 3HZ LYS 59 HZ3 LYS 59 -13.305 -5.598 4.048 480 H PHE 60 HN PHE 60 -7.994 -4.815 9.471 481 HA PHE 60 HA PHE 60 -7.998 -4.612 12.240 482 1HB PHE 60 HB2 PHE 60 -9.173 -6.694 12.925 483 2HB PHE 60 HB1 PHE 60 -10.254 -5.462 12.286 484 HD1 PHE 60 HD1 PHE 60 -11.070 -5.716 9.894 485 HD2 PHE 60 HD2 PHE 60 -9.133 -8.846 12.028 486 HE1 PHE 60 HE1 PHE 60 -12.014 -7.361 8.330 487 HE2 PHE 60 HE2 PHE 60 -10.070 -10.497 10.464 488 HZ PHE 60 HZ PHE 60 -11.513 -9.755 8.612 489 H SER 61 HN SER 61 -5.836 -4.718 11.077 490 HA SER 61 HA SER 61 -4.695 -7.287 11.657 491 1HB SER 61 HB2 SER 61 -5.006 -6.344 8.833 492 2HB SER 61 HB1 SER 61 -3.583 -7.287 9.280 493 HG SER 61 HG SER 61 -4.908 -8.965 9.895 494 H GLU 62 HN GLU 62 -2.896 -5.690 9.300 495 HA GLU 62 HA GLU 62 -1.174 -4.563 11.394 496 1HB GLU 62 HB2 GLU 62 -0.341 -5.032 8.544 497 2HB GLU 62 HB1 GLU 62 0.672 -4.891 9.977 498 1HG GLU 62 HG2 GLU 62 -1.270 -7.136 9.832 499 2HG GLU 62 HG1 GLU 62 0.193 -7.214 8.848 500 H GLU 63 HN GLU 63 -2.509 -2.652 11.536 501 HA GLU 63 HA GLU 63 -2.682 -0.903 9.249 502 1HB GLU 63 HB2 GLU 63 -3.531 0.733 11.054 503 2HB GLU 63 HB1 GLU 63 -4.514 -0.674 10.678 504 1HG GLU 63 HG2 GLU 63 -2.552 -0.977 12.862 505 2HG GLU 63 HG1 GLU 63 -3.928 0.084 13.167 506 H GLN 64 HN GLN 64 -0.855 -0.984 12.290 507 HA GLN 64 HA GLN 64 0.522 1.467 11.857 508 1HB GLN 64 HB2 GLN 64 1.088 -0.904 13.639 509 2HB GLN 64 HB1 GLN 64 2.096 0.537 13.622 510 1HG GLN 64 HG2 GLN 64 0.133 1.886 14.243 511 2HG GLN 64 HG1 GLN 64 -0.827 0.409 14.331 512 1HE2 GLN 64 HE21 GLN 64 1.516 2.394 15.877 513 2HE2 GLN 64 HE22 GLN 64 1.615 1.507 17.355 514 H ARG 65 HN ARG 65 0.976 -1.763 10.729 515 HA ARG 65 HA ARG 65 3.739 -1.505 10.044 516 1HB ARG 65 HB2 ARG 65 2.831 -3.715 10.347 517 2HB ARG 65 HB1 ARG 65 1.586 -3.424 9.141 518 1HG ARG 65 HG2 ARG 65 3.312 -3.291 7.406 519 2HG ARG 65 HG1 ARG 65 4.545 -3.625 8.623 520 1HD ARG 65 HD2 ARG 65 2.648 -5.636 8.956 521 2HD ARG 65 HD1 ARG 65 2.804 -5.447 7.207 522 HE ARG 65 HE ARG 65 5.183 -5.817 8.899 523 1HH1 ARG 65 HH11 ARG 65 3.128 -6.831 6.274 524 2HH1 ARG 65 HH12 ARG 65 4.240 -8.026 5.696 525 1HH2 ARG 65 HH21 ARG 65 6.651 -7.388 8.145 526 2HH2 ARG 65 HH22 ARG 65 6.242 -8.343 6.759 527 H PHE 66 HN PHE 66 0.795 -0.424 8.713 528 HA PHE 66 HA PHE 66 1.840 -0.144 6.018 529 1HB PHE 66 HB2 PHE 66 -0.677 -0.593 6.857 530 2HB PHE 66 HB1 PHE 66 -0.716 1.167 6.746 531 HD1 PHE 66 HD1 PHE 66 -0.675 2.276 4.641 532 HD2 PHE 66 HD2 PHE 66 -0.203 -1.947 4.860 533 HE1 PHE 66 HE1 PHE 66 -0.982 2.120 2.206 534 HE2 PHE 66 HE2 PHE 66 -0.509 -2.111 2.426 535 HZ PHE 66 HZ PHE 66 -0.899 -0.077 1.095 536 H ASN 67 HN ASN 67 0.846 1.948 8.729 537 HA ASN 67 HA ASN 67 1.506 4.366 7.398 538 1HB ASN 67 HB2 ASN 67 1.796 5.124 9.942 539 2HB ASN 67 HB1 ASN 67 0.212 4.888 9.221 540 1HD2 ASN 67 HD21 ASN 67 -1.088 3.345 10.008 541 2HD2 ASN 67 HD22 ASN 67 -0.682 2.321 11.337 542 H ASN 68 HN ASN 68 3.303 1.863 8.775 543 HA ASN 68 HA ASN 68 5.694 3.391 9.322 544 1HB ASN 68 HB2 ASN 68 5.192 1.299 10.551 545 2HB ASN 68 HB1 ASN 68 5.328 0.395 9.046 546 1HD2 ASN 68 HD21 ASN 68 7.315 -0.084 8.233 547 2HD2 ASN 68 HD22 ASN 68 8.792 0.236 9.070 548 H PHE 69 HN PHE 69 4.882 0.836 6.977 549 HA PHE 69 HA PHE 69 7.090 1.227 5.301 550 1HB PHE 69 HB2 PHE 69 5.363 -0.705 5.367 551 2HB PHE 69 HB1 PHE 69 4.425 0.297 4.262 552 HD1 PHE 69 HD1 PHE 69 5.201 0.721 2.005 553 HD2 PHE 69 HD2 PHE 69 7.416 -1.750 4.668 554 HE1 PHE 69 HE1 PHE 69 6.507 -0.146 0.108 555 HE2 PHE 69 HE2 PHE 69 8.726 -2.621 2.777 556 HZ PHE 69 HZ PHE 69 8.272 -1.820 0.493 557 H LEU 70 HN LEU 70 3.975 2.793 5.418 558 HA LEU 70 HA LEU 70 4.096 4.120 2.922 559 1HB LEU 70 HB2 LEU 70 2.525 4.484 5.428 560 2HB LEU 70 HB1 LEU 70 2.564 5.816 4.289 561 HG LEU 70 HG LEU 70 1.427 3.058 3.881 562 1HD1 LEU 70 HD11 LEU 70 -0.617 4.194 3.505 563 2HD1 LEU 70 HD12 LEU 70 0.188 5.761 3.421 564 3HD1 LEU 70 HD13 LEU 70 0.090 4.902 4.957 565 1HD2 LEU 70 HD21 LEU 70 2.624 3.478 1.859 566 2HD2 LEU 70 HD22 LEU 70 2.057 5.146 1.802 567 3HD2 LEU 70 HD23 LEU 70 0.921 3.820 1.549 568 H LYS 71 HN LYS 71 4.997 5.119 6.202 569 HA LYS 71 HA LYS 71 5.817 7.712 5.656 570 1HB LYS 71 HB2 LYS 71 6.417 5.704 7.750 571 2HB LYS 71 HB1 LYS 71 7.564 7.026 7.594 572 1HG LYS 71 HG2 LYS 71 5.647 8.612 7.803 573 2HG LYS 71 HG1 LYS 71 4.617 7.224 8.164 574 1HD LYS 71 HD2 LYS 71 6.090 6.675 10.073 575 2HD LYS 71 HD1 LYS 71 7.032 8.128 9.732 576 1HE LYS 71 HE2 LYS 71 5.125 9.528 10.178 577 2HE LYS 71 HE1 LYS 71 4.083 8.117 10.356 578 1HZ LYS 71 HZ1 LYS 71 5.424 7.455 12.283 579 2HZ LYS 71 HZ2 LYS 71 4.694 8.964 12.507 580 3HZ LYS 71 HZ3 LYS 71 6.340 8.870 12.133 581 H ALA 72 HN ALA 72 7.690 4.690 5.534 582 HA ALA 72 HA ALA 72 10.108 5.953 4.709 583 1HB ALA 72 HB1 ALA 72 10.918 3.698 4.290 584 2HB ALA 72 HB2 ALA 72 9.278 3.067 4.428 585 3HB ALA 72 HB3 ALA 72 10.071 3.775 5.835 586 H LEU 73 HN LEU 73 7.516 4.270 2.995 587 HA LEU 73 HA LEU 73 8.597 4.198 0.445 588 1HB LEU 73 HB2 LEU 73 6.536 3.050 1.005 589 2HB LEU 73 HB1 LEU 73 5.725 4.580 1.296 590 HG LEU 73 HG LEU 73 6.189 5.103 -1.171 591 1HD1 LEU 73 HD11 LEU 73 7.840 3.212 -1.390 592 2HD1 LEU 73 HD12 LEU 73 6.605 3.298 -2.646 593 3HD1 LEU 73 HD13 LEU 73 6.461 2.112 -1.348 594 1HD2 LEU 73 HD21 LEU 73 3.968 4.768 -0.725 595 2HD2 LEU 73 HD22 LEU 73 4.227 3.150 -0.075 596 3HD2 LEU 73 HD23 LEU 73 4.280 3.419 -1.817 597 H GLN 74 HN GLN 74 6.553 6.708 1.898 598 HA GLN 74 HA GLN 74 6.409 8.503 -0.179 599 1HB GLN 74 HB2 GLN 74 5.242 8.765 1.986 600 2HB GLN 74 HB1 GLN 74 6.770 9.196 2.743 601 1HG GLN 74 HG2 GLN 74 6.352 10.864 0.467 602 2HG GLN 74 HG1 GLN 74 4.908 10.884 1.478 603 1HE2 GLN 74 HE21 GLN 74 4.937 11.962 3.369 604 2HE2 GLN 74 HE22 GLN 74 6.305 12.819 3.983 605 H GLU 75 HN GLU 75 8.962 8.251 2.276 606 HA GLU 75 HA GLU 75 10.553 10.355 1.252 607 1HB GLU 75 HB2 GLU 75 10.750 8.353 3.331 608 2HB GLU 75 HB1 GLU 75 12.282 8.519 2.484 609 1HG GLU 75 HG2 GLU 75 12.276 10.914 2.925 610 2HG GLU 75 HG1 GLU 75 10.729 10.762 3.756 611 H LYS 76 HN LYS 76 10.260 6.968 0.487 612 HA LYS 76 HA LYS 76 12.643 6.723 -1.030 613 1HB LYS 76 HB2 LYS 76 10.248 5.095 -0.507 614 2HB LYS 76 HB1 LYS 76 10.985 4.822 -2.080 615 1HG LYS 76 HG2 LYS 76 13.075 4.239 -1.072 616 2HG LYS 76 HG1 LYS 76 12.487 4.706 0.525 617 1HD LYS 76 HD2 LYS 76 10.649 2.932 0.102 618 2HD LYS 76 HD1 LYS 76 11.745 2.331 -1.144 619 1HE LYS 76 HE2 LYS 76 13.508 2.064 0.520 620 2HE LYS 76 HE1 LYS 76 12.437 2.698 1.769 621 1HZ LYS 76 HZ1 LYS 76 12.577 0.252 1.741 622 2HZ LYS 76 HZ2 LYS 76 11.896 0.242 0.193 623 3HZ LYS 76 HZ3 LYS 76 11.001 0.819 1.506 624 H VAL 77 HN VAL 77 9.278 7.464 -1.893 625 HA VAL 77 HA VAL 77 9.788 7.538 -4.698 626 HB VAL 77 HB VAL 77 7.556 7.421 -4.642 627 1HG1 VAL 77 HG11 VAL 77 6.315 8.514 -2.549 628 2HG1 VAL 77 HG12 VAL 77 7.913 8.278 -1.844 629 3HG1 VAL 77 HG13 VAL 77 7.034 6.905 -2.512 630 1HG2 VAL 77 HG21 VAL 77 7.285 10.255 -3.756 631 2HG2 VAL 77 HG22 VAL 77 6.417 9.378 -5.016 632 3HG2 VAL 77 HG23 VAL 77 8.079 9.890 -5.286 633 H GLU 78 HN GLU 78 10.116 9.801 -2.109 634 HA GLU 78 HA GLU 78 10.336 12.138 -3.748 635 1HB GLU 78 HB2 GLU 78 10.437 11.502 -0.903 636 2HB GLU 78 HB1 GLU 78 11.598 12.740 -1.364 637 1HG GLU 78 HG2 GLU 78 9.420 13.653 -2.642 638 2HG GLU 78 HG1 GLU 78 8.658 12.833 -1.279 639 H ILE 79 HN ILE 79 12.421 9.579 -2.974 640 HA ILE 79 HA ILE 79 14.746 11.177 -3.861 641 HB ILE 79 HB ILE 79 14.840 8.790 -2.024 642 1HG1 ILE 79 HG12 ILE 79 15.486 11.605 -1.222 643 2HG1 ILE 79 HG11 ILE 79 13.812 11.060 -1.220 644 1HG2 ILE 79 HG21 ILE 79 16.887 8.855 -3.135 645 2HG2 ILE 79 HG22 ILE 79 17.192 9.756 -1.649 646 3HG2 ILE 79 HG23 ILE 79 16.924 10.619 -3.165 647 1HD1 ILE 79 HD11 ILE 79 15.383 10.891 0.909 648 2HD1 ILE 79 HD12 ILE 79 15.782 9.345 0.160 649 3HD1 ILE 79 HD13 ILE 79 14.108 9.721 0.571 650 H LYS 80 HN LYS 80 13.791 7.746 -3.621 651 HA LYS 80 HA LYS 80 15.476 6.510 -5.272 652 1HB LYS 80 HB2 LYS 80 13.265 5.699 -4.116 653 2HB LYS 80 HB1 LYS 80 12.590 5.911 -5.725 654 1HG LYS 80 HG2 LYS 80 13.857 4.218 -6.628 655 2HG LYS 80 HG1 LYS 80 15.107 4.349 -5.388 656 1HD LYS 80 HD2 LYS 80 13.218 3.578 -3.776 657 2HD LYS 80 HD1 LYS 80 12.434 3.010 -5.251 658 1HE LYS 80 HE2 LYS 80 14.405 1.667 -5.784 659 2HE LYS 80 HE1 LYS 80 15.197 2.242 -4.318 660 1HZ LYS 80 HZ1 LYS 80 13.807 1.012 -2.980 661 2HZ LYS 80 HZ2 LYS 80 13.988 -0.022 -4.305 662 3HZ LYS 80 HZ3 LYS 80 12.582 0.904 -4.142 663 H GLN 81 HN GLN 81 12.380 7.653 -6.677 664 HA GLN 81 HA GLN 81 13.113 9.113 -8.779 665 1HB GLN 81 HB2 GLN 81 14.224 6.479 -9.164 666 2HB GLN 81 HB1 GLN 81 13.067 6.835 -10.437 667 1HG GLN 81 HG2 GLN 81 15.006 8.959 -9.779 668 2HG GLN 81 HG1 GLN 81 15.640 7.516 -10.567 669 1HE2 GLN 81 HE21 GLN 81 14.313 10.503 -11.063 670 2HE2 GLN 81 HE22 GLN 81 13.795 10.312 -12.700 671 H LEU 82 HN LEU 82 11.167 6.522 -7.603 672 HA LEU 82 HA LEU 82 9.153 6.645 -9.626 673 1HB LEU 82 HB2 LEU 82 7.819 5.283 -8.068 674 2HB LEU 82 HB1 LEU 82 9.425 4.629 -8.338 675 HG LEU 82 HG LEU 82 9.356 6.375 -6.017 676 1HD1 LEU 82 HD11 LEU 82 7.433 4.073 -6.161 677 2HD1 LEU 82 HD12 LEU 82 7.127 5.732 -5.648 678 3HD1 LEU 82 HD13 LEU 82 8.093 4.660 -4.635 679 1HD2 LEU 82 HD21 LEU 82 11.042 4.576 -6.797 680 2HD2 LEU 82 HD22 LEU 82 9.930 3.438 -6.038 681 3HD2 LEU 82 HD23 LEU 82 10.675 4.716 -5.078 682 H ASN 83 HN ASN 83 9.715 9.221 -8.797 683 HA ASN 83 HA ASN 83 7.999 10.249 -6.841 684 1HB ASN 83 HB2 ASN 83 9.539 11.829 -7.341 685 2HB ASN 83 HB1 ASN 83 9.678 11.306 -9.015 686 1HD2 ASN 83 HD21 ASN 83 7.598 13.070 -6.778 687 2HD2 ASN 83 HD22 ASN 83 6.944 14.153 -7.955 688 H HIS 84 HN HIS 84 7.387 9.112 -10.011 689 HA HIS 84 HA HIS 84 5.023 10.641 -10.509 690 1HB HIS 84 HB2 HIS 84 4.643 9.063 -12.355 691 2HB HIS 84 HB1 HIS 84 6.301 9.657 -12.351 692 HD1 HIS 84 HD1 HIS 84 8.160 7.952 -11.627 693 HD2 HIS 84 HD2 HIS 84 4.353 6.333 -12.019 694 HE1 HIS 84 HE1 HIS 84 8.491 5.459 -11.677 695 HE2 HIS 84 HE2 HIS 84 6.183 4.507 -12.011 696 H PHE 85 HN PHE 85 5.763 7.741 -8.765 697 HA PHE 85 HA PHE 85 3.243 6.514 -8.745 698 1HB PHE 85 HB2 PHE 85 5.488 5.602 -7.874 699 2HB PHE 85 HB1 PHE 85 5.118 6.470 -6.385 700 HD1 PHE 85 HD1 PHE 85 3.485 4.078 -8.750 701 HD2 PHE 85 HD2 PHE 85 4.053 5.309 -4.711 702 HE1 PHE 85 HE1 PHE 85 2.131 2.172 -7.979 703 HE2 PHE 85 HE2 PHE 85 2.695 3.401 -3.935 704 HZ PHE 85 HZ PHE 85 1.737 1.833 -5.574 705 H TRP 86 HN TRP 86 4.649 8.969 -6.585 706 HA TRP 86 HA TRP 86 2.635 9.109 -4.700 707 1HB TRP 86 HB2 TRP 86 4.910 10.336 -4.836 708 2HB TRP 86 HB1 TRP 86 4.022 11.571 -5.719 709 HD1 TRP 86 HD1 TRP 86 3.814 13.480 -4.070 710 HE1 TRP 86 HE1 TRP 86 2.934 13.761 -1.662 711 HE3 TRP 86 HE3 TRP 86 2.993 8.570 -2.940 712 HZ2 TRP 86 HZ2 TRP 86 2.016 12.104 0.437 713 HZ3 TRP 86 HZ3 TRP 86 2.116 7.998 -0.715 714 HH2 TRP 86 HH2 TRP 86 1.636 9.730 0.936 715 H GLU 87 HN GLU 87 2.921 10.861 -7.779 716 HA GLU 87 HA GLU 87 0.478 12.255 -7.548 717 1HB GLU 87 HB2 GLU 87 2.069 11.429 -9.986 718 2HB GLU 87 HB1 GLU 87 0.666 12.486 -10.048 719 1HG GLU 87 HG2 GLU 87 1.770 14.183 -8.835 720 2HG GLU 87 HG1 GLU 87 3.085 13.101 -8.381 721 H ILE 88 HN ILE 88 1.375 9.084 -8.723 722 HA ILE 88 HA ILE 88 -1.187 8.434 -9.809 723 HB ILE 88 HB ILE 88 1.370 7.286 -9.866 724 1HG1 ILE 88 HG12 ILE 88 -0.425 5.512 -11.118 725 2HG1 ILE 88 HG11 ILE 88 -1.157 7.112 -11.235 726 1HG2 ILE 88 HG21 ILE 88 0.824 5.990 -7.866 727 2HG2 ILE 88 HG22 ILE 88 1.010 4.952 -9.279 728 3HG2 ILE 88 HG23 ILE 88 -0.601 5.341 -8.676 729 1HD1 ILE 88 HD11 ILE 88 0.228 6.583 -13.175 730 2HD1 ILE 88 HD12 ILE 88 1.630 6.400 -12.120 731 3HD1 ILE 88 HD13 ILE 88 0.850 7.973 -12.285 732 H VAL 89 HN VAL 89 0.052 8.642 -6.692 733 HA VAL 89 HA VAL 89 -1.689 6.591 -5.542 734 HB VAL 89 HB VAL 89 0.311 8.433 -4.219 735 1HG1 VAL 89 HG11 VAL 89 -1.273 8.097 -2.549 736 2HG1 VAL 89 HG12 VAL 89 -0.113 6.799 -2.263 737 3HG1 VAL 89 HG13 VAL 89 -1.635 6.458 -3.087 738 1HG2 VAL 89 HG21 VAL 89 0.743 6.123 -5.651 739 2HG2 VAL 89 HG22 VAL 89 0.688 5.556 -3.981 740 3HG2 VAL 89 HG23 VAL 89 1.833 6.813 -4.449 741 H VAL 90 HN VAL 90 -1.317 10.065 -5.787 742 HA VAL 90 HA VAL 90 -3.545 10.606 -4.017 743 HB VAL 90 HB VAL 90 -1.647 12.183 -4.129 744 1HG1 VAL 90 HG11 VAL 90 -2.608 12.808 -6.916 745 2HG1 VAL 90 HG12 VAL 90 -1.156 11.883 -6.533 746 3HG1 VAL 90 HG13 VAL 90 -1.273 13.577 -6.056 747 1HG2 VAL 90 HG21 VAL 90 -2.927 14.175 -4.084 748 2HG2 VAL 90 HG22 VAL 90 -4.001 12.884 -3.545 749 3HG2 VAL 90 HG23 VAL 90 -4.131 13.511 -5.189 750 H GLN 91 HN GLN 91 -2.841 10.530 -7.451 751 HA GLN 91 HA GLN 91 -5.209 11.619 -8.444 752 1HB GLN 91 HB2 GLN 91 -3.202 11.080 -9.814 753 2HB GLN 91 HB1 GLN 91 -3.601 9.372 -9.675 754 1HG GLN 91 HG2 GLN 91 -5.540 9.609 -10.976 755 2HG GLN 91 HG1 GLN 91 -5.515 11.366 -10.838 756 1HE2 GLN 91 HE21 GLN 91 -3.878 12.528 -11.972 757 2HE2 GLN 91 HE22 GLN 91 -3.160 11.862 -13.395 758 H ASP 92 HN ASP 92 -4.410 8.250 -7.644 759 HA ASP 92 HA ASP 92 -6.949 7.198 -8.328 760 1HB ASP 92 HB2 ASP 92 -4.494 6.230 -7.052 761 2HB ASP 92 HB1 ASP 92 -5.954 5.464 -6.434 762 H GLY 93 HN GLY 93 -6.185 9.342 -5.976 763 1HA GLY 93 HA2 GLY 93 -7.489 10.216 -4.287 764 2HA GLY 93 HA1 GLY 93 -8.683 8.967 -4.616 765 H ILE 94 HN ILE 94 -5.629 7.608 -4.137 766 HA ILE 94 HA ILE 94 -6.419 6.321 -1.745 767 HB ILE 94 HB ILE 94 -3.558 6.555 -2.639 768 1HG1 ILE 94 HG12 ILE 94 -4.912 6.051 -4.635 769 2HG1 ILE 94 HG11 ILE 94 -3.921 4.673 -4.164 770 1HG2 ILE 94 HG21 ILE 94 -5.175 4.554 -1.103 771 2HG2 ILE 94 HG22 ILE 94 -3.690 5.380 -0.633 772 3HG2 ILE 94 HG23 ILE 94 -3.643 4.111 -1.857 773 1HD1 ILE 94 HD11 ILE 94 -6.668 4.754 -3.088 774 2HD1 ILE 94 HD12 ILE 94 -5.708 3.392 -3.664 775 3HD1 ILE 94 HD13 ILE 94 -6.493 4.468 -4.819 776 H THR 95 HN THR 95 -6.185 6.894 0.329 777 HA THR 95 HA THR 95 -4.457 9.205 0.932 778 HB THR 95 HB THR 95 -6.013 9.912 2.651 779 HG1 THR 95 HG1 THR 95 -8.190 8.619 2.340 780 1HG2 THR 95 HG21 THR 95 -6.428 10.836 0.469 781 2HG2 THR 95 HG22 THR 95 -7.981 10.480 1.226 782 3HG2 THR 95 HG23 THR 95 -7.337 9.403 -0.013 783 H LEU 96 HN LEU 96 -3.374 9.230 2.892 784 HA LEU 96 HA LEU 96 -2.282 6.854 3.789 785 1HB LEU 96 HB2 LEU 96 -2.380 9.646 4.788 786 2HB LEU 96 HB1 LEU 96 -1.889 8.413 5.938 787 HG LEU 96 HG LEU 96 -0.141 9.735 4.437 788 1HD1 LEU 96 HD11 LEU 96 -0.189 7.135 5.739 789 2HD1 LEU 96 HD12 LEU 96 1.012 8.424 5.815 790 3HD1 LEU 96 HD13 LEU 96 1.049 7.265 4.488 791 1HD2 LEU 96 HD21 LEU 96 -1.236 8.874 2.332 792 2HD2 LEU 96 HD22 LEU 96 -0.616 7.280 2.762 793 3HD2 LEU 96 HD23 LEU 96 0.503 8.607 2.457 794 H ILE 97 HN ILE 97 -2.301 6.336 6.272 795 HA ILE 97 HA ILE 97 -4.902 5.284 6.831 796 HB ILE 97 HB ILE 97 -2.196 5.071 8.028 797 1HG1 ILE 97 HG12 ILE 97 -2.922 2.639 8.078 798 2HG1 ILE 97 HG11 ILE 97 -4.401 3.156 7.271 799 1HG2 ILE 97 HG21 ILE 97 -4.715 4.705 9.610 800 2HG2 ILE 97 HG22 ILE 97 -3.243 5.572 10.051 801 3HG2 ILE 97 HG23 ILE 97 -3.244 3.809 9.989 802 1HD1 ILE 97 HD11 ILE 97 -2.808 2.285 5.670 803 2HD1 ILE 97 HD12 ILE 97 -1.600 3.452 6.206 804 3HD1 ILE 97 HD13 ILE 97 -3.065 4.009 5.401 805 H THR 98 HN THR 98 -6.496 6.317 7.855 806 HA THR 98 HA THR 98 -5.843 8.680 9.463 807 HB THR 98 HB THR 98 -8.677 8.266 9.113 808 HG1 THR 98 HG1 THR 98 -8.813 7.964 7.001 809 1HG2 THR 98 HG21 THR 98 -8.659 10.511 8.520 810 2HG2 THR 98 HG22 THR 98 -7.057 10.410 7.789 811 3HG2 THR 98 HG23 THR 98 -7.229 10.383 9.545 812 H LYS 99 HN LYS 99 -6.444 8.916 11.556 813 HA LYS 99 HA LYS 99 -6.426 6.986 13.377 814 1HB LYS 99 HB2 LYS 99 -8.408 8.683 14.409 815 2HB LYS 99 HB1 LYS 99 -6.677 8.765 14.686 816 1HG LYS 99 HG2 LYS 99 -6.374 10.361 12.984 817 2HG LYS 99 HG1 LYS 99 -7.984 10.071 12.321 818 1HD LYS 99 HD2 LYS 99 -9.028 11.289 13.965 819 2HD LYS 99 HD1 LYS 99 -7.745 11.000 15.142 820 1HE LYS 99 HE2 LYS 99 -6.739 12.907 14.601 821 2HE LYS 99 HE1 LYS 99 -6.722 12.468 12.894 822 1HZ LYS 99 HZ1 LYS 99 -9.223 13.439 14.084 823 2HZ LYS 99 HZ2 LYS 99 -8.665 13.579 12.493 824 3HZ LYS 99 HZ3 LYS 99 -8.013 14.559 13.707 825 H GLU 100 HN GLU 100 -9.660 8.350 13.050 826 HA GLU 100 HA GLU 100 -11.006 6.124 13.976 827 1HB GLU 100 HB2 GLU 100 -12.025 8.323 13.839 828 2HB GLU 100 HB1 GLU 100 -11.999 8.256 12.082 829 1HG GLU 100 HG2 GLU 100 -13.830 6.958 11.974 830 2HG GLU 100 HG1 GLU 100 -13.389 6.032 13.408 831 H GLU 101 HN GLU 101 -9.564 6.568 10.909 832 HA GLU 101 HA GLU 101 -11.241 4.676 9.520 833 1HB GLU 101 HB2 GLU 101 -9.823 6.676 8.562 834 2HB GLU 101 HB1 GLU 101 -8.530 5.481 8.536 835 1HG GLU 101 HG2 GLU 101 -10.709 4.196 7.379 836 2HG GLU 101 HG1 GLU 101 -10.749 5.839 6.734 837 H ALA 102 HN ALA 102 -9.446 4.109 12.006 838 HA ALA 102 HA ALA 102 -8.321 1.603 10.948 839 1HB ALA 102 HB1 ALA 102 -6.637 1.864 12.883 840 2HB ALA 102 HB2 ALA 102 -7.106 3.563 12.858 841 3HB ALA 102 HB3 ALA 102 -6.401 2.822 11.422 842 H SER 103 HN SER 103 -10.904 2.395 12.306 843 HA SER 103 HA SER 103 -12.368 1.525 13.803 844 1HB SER 103 HB2 SER 103 -10.381 -0.700 13.510 845 2HB SER 103 HB1 SER 103 -11.682 -0.837 14.693 846 HG SER 103 HG SER 103 -11.840 -0.646 11.889 847 H GLY 104 HN GLY 104 -11.714 3.338 15.217 848 1HA GLY 104 HA2 GLY 104 -11.340 4.119 17.339 849 2HA GLY 104 HA1 GLY 104 -11.345 2.443 17.869 850 H SER 105 HN SER 105 -9.099 3.848 15.543 851 HA SER 105 HA SER 105 -6.956 3.613 17.553 852 1HB SER 105 HB2 SER 105 -7.257 1.992 15.284 853 2HB SER 105 HB1 SER 105 -5.981 3.141 14.873 854 HG SER 105 HG SER 105 -5.841 1.002 16.457 855 H SER 106 HN SER 106 -6.167 5.522 17.981 856 HA SER 106 HA SER 106 -6.564 7.757 16.318 857 1HB SER 106 HB2 SER 106 -4.764 7.297 18.701 858 2HB SER 106 HB1 SER 106 -4.937 8.860 17.904 859 HG SER 106 HG SER 106 -6.347 8.577 19.720 860 H VAL 107 HN VAL 107 -5.180 8.882 15.080 861 HA VAL 107 HA VAL 107 -2.523 7.833 14.515 862 HB VAL 107 HB VAL 107 -4.778 7.816 12.587 863 1HG1 VAL 107 HG11 VAL 107 -2.932 7.923 10.742 864 2HG1 VAL 107 HG12 VAL 107 -2.073 8.896 11.934 865 3HG1 VAL 107 HG13 VAL 107 -3.657 9.409 11.354 866 1HG2 VAL 107 HG21 VAL 107 -3.332 5.882 13.662 867 2HG2 VAL 107 HG22 VAL 107 -2.283 6.239 12.290 868 3HG2 VAL 107 HG23 VAL 107 -3.960 5.766 12.018 869 H THR 108 HN THR 108 -1.077 9.356 13.849 870 HA THR 108 HA THR 108 -1.450 11.982 14.652 871 HB THR 108 HB THR 108 0.529 11.660 12.512 872 HG1 THR 108 HG1 THR 108 0.962 9.655 13.130 873 1HG2 THR 108 HG21 THR 108 2.020 12.498 14.305 874 2HG2 THR 108 HG22 THR 108 0.665 12.415 15.431 875 3HG2 THR 108 HG23 THR 108 0.605 13.522 14.058 876 H ALA 109 HN ALA 109 -1.683 13.926 13.568 877 HA ALA 109 HA ALA 109 -3.368 13.852 11.222 878 1HB ALA 109 HB1 ALA 109 -3.697 16.196 11.590 879 2HB ALA 109 HB2 ALA 109 -2.318 16.272 12.687 880 3HB ALA 109 HB3 ALA 109 -3.770 15.387 13.155 881 H GLU 110 HN GLU 110 -0.107 13.944 11.830 882 HA GLU 110 HA GLU 110 0.664 15.619 9.582 883 1HB GLU 110 HB2 GLU 110 1.895 14.907 11.992 884 2HB GLU 110 HB1 GLU 110 2.810 14.058 10.755 885 1HG GLU 110 HG2 GLU 110 3.320 16.091 9.626 886 2HG GLU 110 HG1 GLU 110 2.210 17.001 10.650 887 H GLU 111 HN GLU 111 -0.169 12.431 10.207 888 HA GLU 111 HA GLU 111 1.527 11.190 8.230 889 1HB GLU 111 HB2 GLU 111 1.049 9.685 9.918 890 2HB GLU 111 HB1 GLU 111 -0.601 10.267 10.116 891 1HG GLU 111 HG2 GLU 111 -1.375 9.048 8.293 892 2HG GLU 111 HG1 GLU 111 0.249 8.795 7.652 893 H ALA 112 HN ALA 112 -1.928 12.005 8.543 894 HA ALA 112 HA ALA 112 -2.430 11.154 5.824 895 1HB ALA 112 HB1 ALA 112 -4.128 12.035 8.109 896 2HB ALA 112 HB2 ALA 112 -4.185 10.540 7.173 897 3HB ALA 112 HB3 ALA 112 -4.786 12.042 6.471 898 H LYS 113 HN LYS 113 -2.611 14.193 7.672 899 HA LYS 113 HA LYS 113 -3.486 15.748 5.461 900 1HB LYS 113 HB2 LYS 113 -3.593 16.170 8.061 901 2HB LYS 113 HB1 LYS 113 -2.074 17.004 7.764 902 1HG LYS 113 HG2 LYS 113 -3.258 18.349 6.014 903 2HG LYS 113 HG1 LYS 113 -4.765 17.618 6.572 904 1HD LYS 113 HD2 LYS 113 -4.434 18.540 8.784 905 2HD LYS 113 HD1 LYS 113 -2.859 19.183 8.312 906 1HE LYS 113 HE2 LYS 113 -3.912 20.668 6.714 907 2HE LYS 113 HE1 LYS 113 -5.493 19.976 7.074 908 1HZ LYS 113 HZ1 LYS 113 -5.208 20.770 9.382 909 2HZ LYS 113 HZ2 LYS 113 -5.256 22.025 8.251 910 3HZ LYS 113 HZ3 LYS 113 -3.777 21.547 8.919 911 H LYS 114 HN LYS 114 -0.274 15.376 6.980 912 HA LYS 114 HA LYS 114 0.975 17.306 5.328 913 1HB LYS 114 HB2 LYS 114 1.708 15.921 7.558 914 2HB LYS 114 HB1 LYS 114 2.689 15.142 6.325 915 1HG LYS 114 HG2 LYS 114 2.616 18.115 6.454 916 2HG LYS 114 HG1 LYS 114 3.580 17.221 7.631 917 1HD LYS 114 HD2 LYS 114 4.407 15.979 5.432 918 2HD LYS 114 HD1 LYS 114 3.945 17.516 4.698 919 1HE LYS 114 HE2 LYS 114 5.379 18.698 6.303 920 2HE LYS 114 HE1 LYS 114 5.857 17.151 7.001 921 1HZ LYS 114 HZ1 LYS 114 7.086 16.598 5.153 922 2HZ LYS 114 HZ2 LYS 114 7.350 18.266 5.235 923 3HZ LYS 114 HZ3 LYS 114 6.238 17.641 4.124 924 H PHE 115 HN PHE 115 0.495 13.830 4.976 925 HA PHE 115 HA PHE 115 2.274 13.499 2.794 926 1HB PHE 115 HB2 PHE 115 0.076 11.889 4.014 927 2HB PHE 115 HB1 PHE 115 0.671 11.432 2.421 928 HD1 PHE 115 HD1 PHE 115 2.327 12.619 5.557 929 HD2 PHE 115 HD2 PHE 115 2.047 9.618 2.556 930 HE1 PHE 115 HE1 PHE 115 4.184 11.396 6.611 931 HE2 PHE 115 HE2 PHE 115 3.902 8.392 3.599 932 HZ PHE 115 HZ PHE 115 4.968 9.275 5.631 933 H LEU 116 HN LEU 116 -1.259 13.941 2.941 934 HA LEU 116 HA LEU 116 -1.471 13.976 0.062 935 1HB LEU 116 HB2 LEU 116 -3.381 14.201 2.342 936 2HB LEU 116 HB1 LEU 116 -3.886 14.778 0.765 937 HG LEU 116 HG LEU 116 -2.726 12.147 0.537 938 1HD1 LEU 116 HD11 LEU 116 -5.229 12.101 2.154 939 2HD1 LEU 116 HD12 LEU 116 -3.673 12.243 2.972 940 3HD1 LEU 116 HD13 LEU 116 -4.001 10.852 1.938 941 1HD2 LEU 116 HD21 LEU 116 -5.454 13.313 0.003 942 2HD2 LEU 116 HD22 LEU 116 -4.967 11.680 -0.454 943 3HD2 LEU 116 HD23 LEU 116 -4.146 13.075 -1.155 944 H ALA 117 HN ALA 117 -0.008 16.119 1.785 945 HA ALA 117 HA ALA 117 -1.441 18.529 1.110 946 1HB ALA 117 HB1 ALA 117 -0.158 18.472 3.159 947 2HB ALA 117 HB2 ALA 117 0.517 19.683 2.069 948 3HB ALA 117 HB3 ALA 117 1.318 18.122 2.258 949 HA PRO 118 HA PRO 118 0.363 19.046 -2.908 950 1HB PRO 118 HB2 PRO 118 -0.047 21.687 -3.276 951 2HB PRO 118 HB1 PRO 118 -1.371 20.515 -3.296 952 1HG PRO 118 HG2 PRO 118 -0.480 22.330 -1.087 953 2HG PRO 118 HG1 PRO 118 -2.126 21.959 -1.634 954 1HD PRO 118 HD2 PRO 118 -0.985 20.794 0.545 955 2HD PRO 118 HD1 PRO 118 -2.204 19.984 -0.460 956 H LYS 119 HN LYS 119 2.158 19.966 -3.992 957 HA LYS 119 HA LYS 119 4.351 20.548 -4.137 958 1HB LYS 119 HB2 LYS 119 3.211 22.684 -2.359 959 2HB LYS 119 HB1 LYS 119 4.911 22.689 -2.801 960 1HG LYS 119 HG2 LYS 119 3.522 22.326 -5.197 961 2HG LYS 119 HG1 LYS 119 2.630 23.562 -4.307 962 1HD LYS 119 HD2 LYS 119 4.483 24.987 -4.202 963 2HD LYS 119 HD1 LYS 119 5.616 23.687 -4.579 964 1HE LYS 119 HE2 LYS 119 5.186 23.775 -6.823 965 2HE LYS 119 HE1 LYS 119 3.537 24.357 -6.594 966 1HZ LYS 119 HZ1 LYS 119 6.058 25.883 -6.569 967 2HZ LYS 119 HZ2 LYS 119 4.701 26.478 -5.753 968 3HZ LYS 119 HZ3 LYS 119 4.629 26.197 -7.419 969 H ASP 120 HN ASP 120 4.864 18.507 -3.045 970 HA ASP 120 HA ASP 120 5.994 17.249 -1.523 971 1HB ASP 120 HB2 ASP 120 7.222 19.856 -0.618 972 2HB ASP 120 HB1 ASP 120 7.924 18.244 -0.512 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -7.614 -9.616 -15.720 2 2H GLY 1 HT2 GLY 1 -6.606 -10.537 -16.718 3 3H GLY 1 HT3 GLY 1 -6.535 -10.728 -15.039 4 1HA GLY 1 HA1 GLY 1 -8.947 -11.321 -16.659 5 2HA GLY 1 HA2 GLY 1 -7.749 -12.533 -16.228 6 HA PRO 2 HA PRO 2 -11.242 -12.317 -13.024 7 1HB PRO 2 HB2 PRO 2 -10.835 -15.250 -13.306 8 2HB PRO 2 HB1 PRO 2 -12.338 -14.329 -13.174 9 1HG PRO 2 HG2 PRO 2 -11.570 -15.349 -15.511 10 2HG PRO 2 HG1 PRO 2 -12.337 -13.752 -15.420 11 1HD PRO 2 HD2 PRO 2 -9.458 -14.455 -15.803 12 2HD PRO 2 HD1 PRO 2 -10.405 -13.139 -16.527 13 H VAL 3 HN VAL 3 -8.303 -14.253 -13.329 14 HA VAL 3 HA VAL 3 -8.061 -14.691 -10.498 15 HB VAL 3 HB VAL 3 -7.130 -16.367 -11.929 16 1HG1 VAL 3 HG11 VAL 3 -5.332 -14.237 -13.079 17 2HG1 VAL 3 HG12 VAL 3 -6.725 -14.949 -13.893 18 3HG1 VAL 3 HG13 VAL 3 -5.327 -15.949 -13.499 19 1HG2 VAL 3 HG21 VAL 3 -4.723 -14.928 -10.856 20 2HG2 VAL 3 HG22 VAL 3 -5.026 -16.664 -10.942 21 3HG2 VAL 3 HG23 VAL 3 -5.918 -15.669 -9.790 22 H ASN 4 HN ASN 4 -7.415 -13.211 -9.098 23 HA ASN 4 HA ASN 4 -5.351 -11.287 -9.919 24 1HB ASN 4 HB2 ASN 4 -7.858 -10.448 -9.737 25 2HB ASN 4 HB1 ASN 4 -7.478 -10.403 -8.016 26 1HD2 ASN 4 HD21 ASN 4 -6.135 -8.851 -7.234 27 2HD2 ASN 4 HD22 ASN 4 -5.519 -7.549 -8.188 28 HA PRO 5 HA PRO 5 -3.175 -12.640 -6.308 29 1HB PRO 5 HB2 PRO 5 -2.301 -9.812 -6.058 30 2HB PRO 5 HB1 PRO 5 -1.331 -11.284 -6.176 31 1HG PRO 5 HG2 PRO 5 -1.536 -9.617 -8.244 32 2HG PRO 5 HG1 PRO 5 -1.508 -11.376 -8.485 33 1HD PRO 5 HD2 PRO 5 -3.825 -9.485 -8.563 34 2HD PRO 5 HD1 PRO 5 -3.486 -10.898 -9.585 35 H ALA 6 HN ALA 6 -5.156 -9.739 -6.217 36 HA ALA 6 HA ALA 6 -5.192 -9.447 -3.391 37 1HB ALA 6 HB1 ALA 6 -5.931 -7.489 -4.186 38 2HB ALA 6 HB2 ALA 6 -7.511 -8.270 -4.233 39 3HB ALA 6 HB3 ALA 6 -6.513 -8.211 -5.686 40 H GLU 7 HN GLU 7 -6.994 -11.387 -5.644 41 HA GLU 7 HA GLU 7 -9.110 -12.023 -3.797 42 1HB GLU 7 HB2 GLU 7 -8.374 -12.808 -6.572 43 2HB GLU 7 HB1 GLU 7 -9.399 -13.910 -5.663 44 1HG GLU 7 HG2 GLU 7 -10.979 -12.059 -5.264 45 2HG GLU 7 HG1 GLU 7 -9.969 -11.017 -6.265 46 H ASN 8 HN ASN 8 -6.290 -13.726 -5.124 47 HA ASN 8 HA ASN 8 -6.699 -16.134 -3.704 48 1HB ASN 8 HB2 ASN 8 -5.122 -15.567 -5.729 49 2HB ASN 8 HB1 ASN 8 -3.951 -15.212 -4.462 50 1HD2 ASN 8 HD21 ASN 8 -3.025 -16.853 -3.345 51 2HD2 ASN 8 HD22 ASN 8 -3.290 -18.524 -3.693 52 H PHE 9 HN PHE 9 -5.274 -13.092 -2.840 53 HA PHE 9 HA PHE 9 -3.846 -14.053 -0.553 54 1HB PHE 9 HB2 PHE 9 -2.943 -12.072 -1.347 55 2HB PHE 9 HB1 PHE 9 -4.520 -11.364 -1.679 56 HD1 PHE 9 HD1 PHE 9 -2.317 -12.399 1.135 57 HD2 PHE 9 HD2 PHE 9 -5.421 -9.820 -0.214 58 HE1 PHE 9 HE1 PHE 9 -2.197 -11.153 3.254 59 HE2 PHE 9 HE2 PHE 9 -5.307 -8.568 1.901 60 HZ PHE 9 HZ PHE 9 -3.693 -9.234 3.638 61 H ARG 10 HN ARG 10 -6.856 -12.193 -0.974 62 HA ARG 10 HA ARG 10 -7.560 -12.064 1.732 63 1HB ARG 10 HB2 ARG 10 -9.224 -11.981 -0.781 64 2HB ARG 10 HB1 ARG 10 -9.917 -11.758 0.819 65 1HG ARG 10 HG2 ARG 10 -8.517 -9.812 1.184 66 2HG ARG 10 HG1 ARG 10 -7.747 -10.053 -0.385 67 1HD ARG 10 HD2 ARG 10 -10.677 -9.491 0.067 68 2HD ARG 10 HD1 ARG 10 -9.476 -8.311 -0.462 69 HE ARG 10 HE ARG 10 -9.628 -10.625 -2.155 70 1HH1 ARG 10 HH11 ARG 10 -10.994 -7.491 -1.479 71 2HH1 ARG 10 HH12 ARG 10 -11.592 -7.263 -3.088 72 1HH2 ARG 10 HH21 ARG 10 -10.411 -10.331 -4.275 73 2HH2 ARG 10 HH22 ARG 10 -11.261 -8.877 -4.677 74 H VAL 11 HN VAL 11 -7.896 -14.622 -0.600 75 HA VAL 11 HA VAL 11 -9.766 -16.128 1.017 76 HB VAL 11 HB VAL 11 -8.265 -16.881 -1.495 77 1HG1 VAL 11 HG11 VAL 11 -8.663 -18.935 -0.461 78 2HG1 VAL 11 HG12 VAL 11 -10.045 -18.733 -1.538 79 3HG1 VAL 11 HG13 VAL 11 -10.218 -18.414 0.188 80 1HG2 VAL 11 HG21 VAL 11 -11.220 -16.544 -1.334 81 2HG2 VAL 11 HG22 VAL 11 -10.128 -16.297 -2.697 82 3HG2 VAL 11 HG23 VAL 11 -10.203 -15.104 -1.401 83 H LEU 12 HN LEU 12 -6.354 -16.411 0.064 84 HA LEU 12 HA LEU 12 -5.753 -18.782 1.384 85 1HB LEU 12 HB2 LEU 12 -4.313 -17.435 -0.233 86 2HB LEU 12 HB1 LEU 12 -3.842 -16.469 1.155 87 HG LEU 12 HG LEU 12 -3.517 -19.346 1.584 88 1HD1 LEU 12 HD11 LEU 12 -1.711 -19.723 0.109 89 2HD1 LEU 12 HD12 LEU 12 -1.682 -18.036 -0.405 90 3HD1 LEU 12 HD13 LEU 12 -3.023 -19.078 -0.878 91 1HD2 LEU 12 HD21 LEU 12 -1.887 -16.854 1.949 92 2HD2 LEU 12 HD22 LEU 12 -1.204 -18.458 2.214 93 3HD2 LEU 12 HD23 LEU 12 -2.577 -17.914 3.178 94 H VAL 13 HN VAL 13 -6.330 -15.628 2.673 95 HA VAL 13 HA VAL 13 -5.121 -16.336 5.243 96 HB VAL 13 HB VAL 13 -5.806 -14.010 5.925 97 1HG1 VAL 13 HG11 VAL 13 -4.138 -13.070 3.977 98 2HG1 VAL 13 HG12 VAL 13 -3.773 -14.796 3.977 99 3HG1 VAL 13 HG13 VAL 13 -3.620 -13.862 5.466 100 1HG2 VAL 13 HG21 VAL 13 -6.016 -12.736 3.473 101 2HG2 VAL 13 HG22 VAL 13 -7.310 -12.978 4.647 102 3HG2 VAL 13 HG23 VAL 13 -7.087 -14.129 3.330 103 H LYS 14 HN LYS 14 -8.284 -15.359 3.942 104 HA LYS 14 HA LYS 14 -9.584 -15.970 6.459 105 1HB LYS 14 HB2 LYS 14 -10.182 -14.075 4.781 106 2HB LYS 14 HB1 LYS 14 -11.030 -15.341 3.905 107 1HG LYS 14 HG2 LYS 14 -12.189 -15.823 6.152 108 2HG LYS 14 HG1 LYS 14 -11.599 -14.228 6.622 109 1HD LYS 14 HD2 LYS 14 -12.733 -13.243 4.686 110 2HD LYS 14 HD1 LYS 14 -13.326 -14.840 4.223 111 1HE LYS 14 HE2 LYS 14 -13.914 -14.084 6.993 112 2HE LYS 14 HE1 LYS 14 -14.676 -13.053 5.782 113 1HZ LYS 14 HZ1 LYS 14 -14.960 -15.984 6.102 114 2HZ LYS 14 HZ2 LYS 14 -15.473 -15.163 4.715 115 3HZ LYS 14 HZ3 LYS 14 -16.168 -14.805 6.215 116 H GLN 15 HN GLN 15 -8.431 -18.255 5.732 117 HA GLN 15 HA GLN 15 -10.613 -19.864 4.574 118 1HB GLN 15 HB2 GLN 15 -7.730 -19.862 4.108 119 2HB GLN 15 HB1 GLN 15 -8.357 -21.462 4.492 120 1HG GLN 15 HG2 GLN 15 -9.333 -19.652 2.293 121 2HG GLN 15 HG1 GLN 15 -8.322 -21.083 2.097 122 1HE2 GLN 15 HE21 GLN 15 -11.509 -19.905 2.866 123 2HE2 GLN 15 HE22 GLN 15 -12.335 -21.407 2.650 124 H LYS 16 HN LYS 16 -7.975 -19.926 6.957 125 HA LYS 16 HA LYS 16 -9.439 -20.843 9.107 126 1HB LYS 16 HB2 LYS 16 -8.869 -23.231 9.226 127 2HB LYS 16 HB1 LYS 16 -9.879 -22.881 7.832 128 1HG LYS 16 HG2 LYS 16 -8.247 -23.390 6.345 129 2HG LYS 16 HG1 LYS 16 -6.951 -22.843 7.411 130 1HD LYS 16 HD2 LYS 16 -6.553 -24.961 7.953 131 2HD LYS 16 HD1 LYS 16 -8.159 -25.049 8.678 132 1HE LYS 16 HE2 LYS 16 -8.832 -25.368 6.111 133 2HE LYS 16 HE1 LYS 16 -7.196 -26.023 6.052 134 1HZ LYS 16 HZ1 LYS 16 -8.011 -27.900 6.861 135 2HZ LYS 16 HZ2 LYS 16 -9.546 -27.219 7.060 136 3HZ LYS 16 HZ3 LYS 16 -8.402 -27.101 8.301 137 H LYS 17 HN LYS 17 -6.393 -20.996 7.380 138 HA LYS 17 HA LYS 17 -4.938 -19.943 9.567 139 1HB LYS 17 HB2 LYS 17 -3.386 -21.891 9.830 140 2HB LYS 17 HB1 LYS 17 -5.005 -22.169 10.457 141 1HG LYS 17 HG2 LYS 17 -5.058 -24.036 9.269 142 2HG LYS 17 HG1 LYS 17 -5.099 -23.039 7.813 143 1HD LYS 17 HD2 LYS 17 -3.100 -23.814 7.229 144 2HD LYS 17 HD1 LYS 17 -2.411 -23.153 8.713 145 1HE LYS 17 HE2 LYS 17 -3.718 -25.858 8.433 146 2HE LYS 17 HE1 LYS 17 -1.981 -25.561 8.485 147 1HZ LYS 17 HZ1 LYS 17 -3.653 -24.567 10.683 148 2HZ LYS 17 HZ2 LYS 17 -2.038 -25.071 10.703 149 3HZ LYS 17 HZ3 LYS 17 -3.280 -26.217 10.629 150 H ALA 18 HN ALA 18 -2.945 -19.190 8.937 151 HA ALA 18 HA ALA 18 -1.425 -19.906 6.751 152 1HB ALA 18 HB1 ALA 18 -3.654 -18.046 6.064 153 2HB ALA 18 HB2 ALA 18 -2.971 -19.378 5.132 154 3HB ALA 18 HB3 ALA 18 -2.094 -17.854 5.265 155 H SER 19 HN SER 19 -2.579 -17.453 8.900 156 HA SER 19 HA SER 19 -1.500 -15.863 10.119 157 1HB SER 19 HB2 SER 19 0.374 -17.677 10.064 158 2HB SER 19 HB1 SER 19 1.143 -16.601 8.894 159 HG SER 19 HG SER 19 0.838 -16.325 11.612 160 H PHE 20 HN PHE 20 -1.764 -13.814 9.605 161 HA PHE 20 HA PHE 20 -1.804 -12.811 7.011 162 1HB PHE 20 HB2 PHE 20 -2.830 -11.822 9.145 163 2HB PHE 20 HB1 PHE 20 -1.251 -11.096 9.425 164 HD1 PHE 20 HD1 PHE 20 -4.274 -11.033 7.395 165 HD2 PHE 20 HD2 PHE 20 -0.411 -9.342 7.963 166 HE1 PHE 20 HE1 PHE 20 -4.888 -9.151 5.933 167 HE2 PHE 20 HE2 PHE 20 -1.017 -7.456 6.503 168 HZ PHE 20 HZ PHE 20 -3.259 -7.359 5.487 169 H GLU 21 HN GLU 21 0.804 -12.857 9.378 170 HA GLU 21 HA GLU 21 2.609 -11.111 8.307 171 1HB GLU 21 HB2 GLU 21 2.719 -12.815 10.344 172 2HB GLU 21 HB1 GLU 21 3.671 -13.745 9.194 173 1HG GLU 21 HG2 GLU 21 5.220 -11.903 8.940 174 2HG GLU 21 HG1 GLU 21 4.242 -10.907 10.019 175 H GLU 22 HN GLU 22 2.581 -14.605 7.521 176 HA GLU 22 HA GLU 22 4.494 -14.516 5.516 177 1HB GLU 22 HB2 GLU 22 2.315 -16.378 6.271 178 2HB GLU 22 HB1 GLU 22 2.979 -16.559 4.653 179 1HG GLU 22 HG2 GLU 22 4.846 -16.379 6.962 180 2HG GLU 22 HG1 GLU 22 3.970 -17.883 6.678 181 H ALA 23 HN ALA 23 0.952 -14.341 5.158 182 HA ALA 23 HA ALA 23 0.941 -14.092 2.356 183 1HB ALA 23 HB1 ALA 23 -1.343 -13.600 2.532 184 2HB ALA 23 HB2 ALA 23 -1.159 -12.905 4.143 185 3HB ALA 23 HB3 ALA 23 -1.003 -14.647 3.910 186 H SER 24 HN SER 24 1.331 -11.732 4.914 187 HA SER 24 HA SER 24 0.893 -9.428 3.308 188 1HB SER 24 HB2 SER 24 1.456 -8.186 5.190 189 2HB SER 24 HB1 SER 24 0.923 -9.697 5.922 190 HG SER 24 HG SER 24 2.821 -9.464 6.866 191 H ASN 25 HN ASN 25 3.865 -10.925 4.578 192 HA ASN 25 HA ASN 25 5.710 -9.311 3.300 193 1HB ASN 25 HB2 ASN 25 5.724 -12.004 4.487 194 2HB ASN 25 HB1 ASN 25 6.967 -11.742 3.266 195 1HD2 ASN 25 HD21 ASN 25 5.825 -10.920 6.415 196 2HD2 ASN 25 HD22 ASN 25 7.201 -9.999 6.907 197 H GLN 26 HN GLN 26 4.206 -12.312 2.126 198 HA GLN 26 HA GLN 26 5.538 -12.471 -0.321 199 1HB GLN 26 HB2 GLN 26 2.964 -13.517 0.749 200 2HB GLN 26 HB1 GLN 26 3.211 -13.586 -0.990 201 1HG GLN 26 HG2 GLN 26 5.401 -14.747 -0.504 202 2HG GLN 26 HG1 GLN 26 4.845 -14.887 1.166 203 1HE2 GLN 26 HE21 GLN 26 5.088 -16.508 -1.636 204 2HE2 GLN 26 HE22 GLN 26 3.776 -17.618 -1.467 205 H LEU 27 HN LEU 27 2.425 -10.937 0.450 206 HA LEU 27 HA LEU 27 1.788 -10.020 -2.093 207 1HB LEU 27 HB2 LEU 27 0.542 -9.931 0.264 208 2HB LEU 27 HB1 LEU 27 1.150 -8.285 0.237 209 HG LEU 27 HG LEU 27 -1.166 -8.468 -0.595 210 1HD1 LEU 27 HD11 LEU 27 0.509 -6.734 -1.393 211 2HD1 LEU 27 HD12 LEU 27 -0.915 -6.995 -2.401 212 3HD1 LEU 27 HD13 LEU 27 0.636 -7.695 -2.866 213 1HD2 LEU 27 HD21 LEU 27 -1.768 -10.115 -1.949 214 2HD2 LEU 27 HD22 LEU 27 -0.096 -10.665 -2.048 215 3HD2 LEU 27 HD23 LEU 27 -0.702 -9.475 -3.200 216 H ILE 28 HN ILE 28 3.586 -8.326 0.493 217 HA ILE 28 HA ILE 28 4.045 -5.969 -0.935 218 HB ILE 28 HB ILE 28 4.594 -6.808 1.604 219 1HG1 ILE 28 HG12 ILE 28 5.801 -4.546 1.778 220 2HG1 ILE 28 HG11 ILE 28 5.505 -4.397 0.046 221 1HG2 ILE 28 HG21 ILE 28 7.292 -6.318 0.365 222 2HG2 ILE 28 HG22 ILE 28 6.672 -7.924 0.744 223 3HG2 ILE 28 HG23 ILE 28 6.928 -6.751 2.035 224 1HD1 ILE 28 HD11 ILE 28 3.687 -4.068 2.300 225 2HD1 ILE 28 HD12 ILE 28 3.035 -5.059 0.994 226 3HD1 ILE 28 HD13 ILE 28 3.600 -3.421 0.661 227 H ASN 29 HN ASN 29 5.823 -9.020 -0.871 228 HA ASN 29 HA ASN 29 8.108 -8.128 -2.258 229 1HB ASN 29 HB2 ASN 29 7.460 -10.440 -1.028 230 2HB ASN 29 HB1 ASN 29 7.191 -10.916 -2.702 231 1HD2 ASN 29 HD21 ASN 29 9.582 -9.122 -0.786 232 2HD2 ASN 29 HD22 ASN 29 10.966 -9.837 -1.534 233 H HIS 30 HN HIS 30 5.085 -9.623 -3.347 234 HA HIS 30 HA HIS 30 5.675 -9.762 -6.075 235 1HB HIS 30 HB2 HIS 30 3.435 -10.254 -4.434 236 2HB HIS 30 HB1 HIS 30 2.895 -9.101 -5.654 237 HD1 HIS 30 HD1 HIS 30 3.589 -9.904 -8.223 238 HD2 HIS 30 HD2 HIS 30 3.305 -12.817 -5.274 239 HE1 HIS 30 HE1 HIS 30 3.326 -12.082 -9.453 240 HE2 HIS 30 HE2 HIS 30 3.244 -13.839 -7.649 241 H ILE 31 HN ILE 31 4.191 -7.192 -4.147 242 HA ILE 31 HA ILE 31 3.650 -5.378 -6.196 243 HB ILE 31 HB ILE 31 4.469 -4.802 -3.343 244 1HG1 ILE 31 HG12 ILE 31 1.711 -4.774 -4.579 245 2HG1 ILE 31 HG11 ILE 31 2.381 -6.175 -3.745 246 1HG2 ILE 31 HG21 ILE 31 3.333 -2.999 -5.469 247 2HG2 ILE 31 HG22 ILE 31 4.847 -2.812 -4.584 248 3HG2 ILE 31 HG23 ILE 31 3.307 -2.610 -3.749 249 1HD1 ILE 31 HD11 ILE 31 2.585 -4.849 -1.701 250 2HD1 ILE 31 HD12 ILE 31 0.922 -4.909 -2.285 251 3HD1 ILE 31 HD13 ILE 31 1.895 -3.460 -2.540 252 H GLU 32 HN GLU 32 6.551 -5.658 -4.148 253 HA GLU 32 HA GLU 32 8.062 -3.626 -5.262 254 1HB GLU 32 HB2 GLU 32 8.627 -6.092 -3.749 255 2HB GLU 32 HB1 GLU 32 9.975 -5.485 -4.702 256 1HG GLU 32 HG2 GLU 32 8.651 -3.378 -3.216 257 2HG GLU 32 HG1 GLU 32 9.244 -4.670 -2.169 258 H GLN 33 HN GLN 33 7.791 -7.009 -6.295 259 HA GLN 33 HA GLN 33 9.666 -6.930 -8.370 260 1HB GLN 33 HB2 GLN 33 7.233 -8.612 -7.847 261 2HB GLN 33 HB1 GLN 33 8.132 -8.791 -9.348 262 1HG GLN 33 HG2 GLN 33 10.122 -9.392 -8.149 263 2HG GLN 33 HG1 GLN 33 9.338 -9.058 -6.606 264 1HE2 GLN 33 HE21 GLN 33 8.097 -10.590 -5.675 265 2HE2 GLN 33 HE22 GLN 33 7.829 -12.162 -6.339 266 H PHE 34 HN PHE 34 6.174 -6.319 -8.392 267 HA PHE 34 HA PHE 34 5.826 -5.808 -11.089 268 1HB PHE 34 HB2 PHE 34 4.443 -4.773 -8.631 269 2HB PHE 34 HB1 PHE 34 3.981 -4.187 -10.225 270 HD1 PHE 34 HD1 PHE 34 2.930 -6.276 -7.816 271 HD2 PHE 34 HD2 PHE 34 3.929 -6.408 -11.951 272 HE1 PHE 34 HE1 PHE 34 1.470 -8.236 -8.102 273 HE2 PHE 34 HE2 PHE 34 2.469 -8.367 -12.245 274 HZ PHE 34 HZ PHE 34 1.237 -9.283 -10.319 275 H LEU 35 HN LEU 35 7.209 -3.773 -8.592 276 HA LEU 35 HA LEU 35 7.188 -1.379 -10.167 277 1HB LEU 35 HB2 LEU 35 8.588 -2.160 -7.617 278 2HB LEU 35 HB1 LEU 35 8.799 -0.587 -8.368 279 HG LEU 35 HG LEU 35 6.001 -1.406 -7.889 280 1HD1 LEU 35 HD11 LEU 35 6.298 -0.536 -5.480 281 2HD1 LEU 35 HD12 LEU 35 7.985 -1.008 -5.684 282 3HD1 LEU 35 HD13 LEU 35 6.708 -2.214 -5.832 283 1HD2 LEU 35 HD21 LEU 35 6.749 0.793 -8.815 284 2HD2 LEU 35 HD22 LEU 35 7.476 1.140 -7.246 285 3HD2 LEU 35 HD23 LEU 35 5.733 0.909 -7.378 286 H ASP 36 HN ASP 36 9.176 -4.144 -10.016 287 HA ASP 36 HA ASP 36 11.659 -3.010 -10.776 288 1HB ASP 36 HB2 ASP 36 11.196 -5.367 -9.855 289 2HB ASP 36 HB1 ASP 36 10.779 -5.796 -11.511 290 H THR 37 HN THR 37 8.789 -3.121 -12.412 291 HA THR 37 HA THR 37 10.139 -2.925 -15.019 292 HB THR 37 HB THR 37 7.293 -3.598 -15.147 293 HG1 THR 37 HG1 THR 37 8.012 -5.921 -14.663 294 1HG2 THR 37 HG21 THR 37 7.932 -4.814 -16.996 295 2HG2 THR 37 HG22 THR 37 9.501 -5.235 -16.310 296 3HG2 THR 37 HG23 THR 37 9.219 -3.610 -16.933 297 H ASN 38 HN ASN 38 10.168 -0.858 -15.558 298 HA ASN 38 HA ASN 38 8.251 1.035 -14.574 299 1HB ASN 38 HB2 ASN 38 10.737 1.450 -15.079 300 2HB ASN 38 HB1 ASN 38 10.246 1.560 -16.769 301 1HD2 ASN 38 HD21 ASN 38 10.232 3.079 -13.678 302 2HD2 ASN 38 HD22 ASN 38 9.559 4.588 -14.182 303 H GLU 39 HN GLU 39 6.538 -0.488 -15.668 304 HA GLU 39 HA GLU 39 6.041 0.441 -18.412 305 1HB GLU 39 HB2 GLU 39 4.904 -1.930 -16.921 306 2HB GLU 39 HB1 GLU 39 4.455 -1.463 -18.556 307 1HG GLU 39 HG2 GLU 39 7.217 -1.631 -18.634 308 2HG GLU 39 HG1 GLU 39 6.725 -2.986 -17.619 309 H THR 40 HN THR 40 3.622 0.617 -18.920 310 HA THR 40 HA THR 40 2.507 2.523 -17.069 311 HB THR 40 HB THR 40 1.299 1.509 -19.646 312 HG1 THR 40 HG1 THR 40 2.653 2.794 -20.641 313 1HG2 THR 40 HG21 THR 40 -0.319 2.627 -18.227 314 2HG2 THR 40 HG22 THR 40 0.091 3.668 -19.590 315 3HG2 THR 40 HG23 THR 40 0.780 3.987 -17.998 316 HA PRO 41 HA PRO 41 -0.981 -0.751 -16.733 317 1HB PRO 41 HB2 PRO 41 -0.646 -3.211 -17.746 318 2HB PRO 41 HB1 PRO 41 -1.183 -1.858 -18.752 319 1HG PRO 41 HG2 PRO 41 1.546 -3.061 -18.494 320 2HG PRO 41 HG1 PRO 41 0.687 -2.539 -19.954 321 1HD PRO 41 HD2 PRO 41 2.600 -1.038 -18.690 322 2HD PRO 41 HD1 PRO 41 1.294 -0.349 -19.674 323 H TYR 42 HN TYR 42 2.237 -1.146 -15.966 324 HA TYR 42 HA TYR 42 1.913 -3.447 -14.236 325 1HB TYR 42 HB2 TYR 42 4.145 -1.884 -15.290 326 2HB TYR 42 HB1 TYR 42 4.347 -2.309 -13.593 327 HD1 TYR 42 HD1 TYR 42 4.953 -4.499 -12.960 328 HD2 TYR 42 HD2 TYR 42 3.732 -3.731 -16.962 329 HE1 TYR 42 HE1 TYR 42 5.681 -6.756 -13.609 330 HE2 TYR 42 HE2 TYR 42 4.457 -5.986 -17.622 331 HH TYR 42 HH TYR 42 5.137 -7.995 -16.873 332 H PHE 43 HN PHE 43 1.978 0.039 -13.970 333 HA PHE 43 HA PHE 43 2.233 0.068 -11.112 334 1HB PHE 43 HB2 PHE 43 1.618 2.146 -13.192 335 2HB PHE 43 HB1 PHE 43 1.408 2.510 -11.481 336 HD1 PHE 43 HD1 PHE 43 3.529 1.692 -10.014 337 HD2 PHE 43 HD2 PHE 43 3.601 2.797 -14.124 338 HE1 PHE 43 HE1 PHE 43 5.927 2.210 -9.829 339 HE2 PHE 43 HE2 PHE 43 6.000 3.315 -13.946 340 HZ PHE 43 HZ PHE 43 7.166 3.022 -11.796 341 H MET 44 HN MET 44 -0.352 -0.273 -13.362 342 HA MET 44 HA MET 44 -2.488 0.609 -11.726 343 1HB MET 44 HB2 MET 44 -2.456 -1.388 -13.998 344 2HB MET 44 HB1 MET 44 -3.913 -0.726 -13.270 345 1HG MET 44 HG2 MET 44 -3.284 1.505 -13.985 346 2HG MET 44 HG1 MET 44 -1.785 0.878 -14.669 347 1HE MET 44 HE1 MET 44 -2.620 2.296 -16.835 348 2HE MET 44 HE2 MET 44 -4.213 2.637 -16.158 349 3HE MET 44 HE3 MET 44 -4.073 1.898 -17.753 350 H LYS 45 HN LYS 45 -0.764 -2.418 -12.039 351 HA LYS 45 HA LYS 45 -2.595 -3.941 -10.446 352 1HB LYS 45 HB2 LYS 45 -0.806 -4.722 -12.215 353 2HB LYS 45 HB1 LYS 45 0.266 -4.737 -10.818 354 1HG LYS 45 HG2 LYS 45 -0.603 -6.634 -10.049 355 2HG LYS 45 HG1 LYS 45 -2.258 -6.072 -10.292 356 1HD LYS 45 HD2 LYS 45 -1.912 -6.548 -12.757 357 2HD LYS 45 HD1 LYS 45 -0.429 -7.383 -12.290 358 1HE LYS 45 HE2 LYS 45 -1.983 -8.658 -10.641 359 2HE LYS 45 HE1 LYS 45 -3.274 -8.098 -11.704 360 1HZ LYS 45 HZ1 LYS 45 -0.901 -9.627 -12.623 361 2HZ LYS 45 HZ2 LYS 45 -2.254 -9.204 -13.545 362 3HZ LYS 45 HZ3 LYS 45 -2.408 -10.319 -12.283 363 H SER 46 HN SER 46 0.206 -1.958 -9.858 364 HA SER 46 HA SER 46 0.839 -2.919 -7.272 365 1HB SER 46 HB2 SER 46 1.325 -0.058 -7.965 366 2HB SER 46 HB1 SER 46 2.400 -1.228 -7.195 367 HG SER 46 HG SER 46 1.669 -1.177 -9.940 368 H ILE 47 HN ILE 47 -1.026 -0.088 -8.367 369 HA ILE 47 HA ILE 47 -1.850 0.785 -5.841 370 HB ILE 47 HB ILE 47 -3.483 1.030 -8.367 371 1HG1 ILE 47 HG12 ILE 47 -1.627 3.201 -7.565 372 2HG1 ILE 47 HG11 ILE 47 -0.890 1.760 -8.259 373 1HG2 ILE 47 HG21 ILE 47 -4.635 1.718 -6.345 374 2HG2 ILE 47 HG22 ILE 47 -4.249 3.124 -7.338 375 3HG2 ILE 47 HG23 ILE 47 -3.283 2.762 -5.907 376 1HD1 ILE 47 HD11 ILE 47 -1.239 3.235 -10.046 377 2HD1 ILE 47 HD12 ILE 47 -2.876 3.621 -9.515 378 3HD1 ILE 47 HD13 ILE 47 -2.516 2.026 -10.177 379 H ASP 48 HN ASP 48 -3.294 -1.527 -8.095 380 HA ASP 48 HA ASP 48 -5.677 -1.993 -6.669 381 1HB ASP 48 HB2 ASP 48 -4.175 -3.343 -8.829 382 2HB ASP 48 HB1 ASP 48 -5.233 -4.388 -7.881 383 H CYS 49 HN CYS 49 -2.432 -2.953 -6.149 384 HA CYS 49 HA CYS 49 -3.095 -5.131 -4.353 385 1HB CYS 49 HB2 CYS 49 -0.585 -3.972 -5.467 386 2HB CYS 49 HB1 CYS 49 -0.478 -4.822 -3.927 387 HG CYS 49 HG CYS 49 -0.002 -7.015 -5.187 388 H ILE 50 HN ILE 50 -1.680 -1.864 -4.140 389 HA ILE 50 HA ILE 50 -1.372 -1.840 -1.343 390 HB ILE 50 HB ILE 50 -0.704 -0.122 -3.377 391 1HG1 ILE 50 HG12 ILE 50 -0.718 0.952 -0.589 392 2HG1 ILE 50 HG11 ILE 50 0.154 -0.548 -0.905 393 1HG2 ILE 50 HG21 ILE 50 -3.024 0.804 -3.300 394 2HG2 ILE 50 HG22 ILE 50 -1.745 1.992 -3.050 395 3HG2 ILE 50 HG23 ILE 50 -2.671 1.390 -1.675 396 1HD1 ILE 50 HD11 ILE 50 1.355 1.763 -1.054 397 2HD1 ILE 50 HD12 ILE 50 0.641 1.797 -2.666 398 3HD1 ILE 50 HD13 ILE 50 1.723 0.481 -2.209 399 H ARG 51 HN ARG 51 -4.109 -1.557 -3.370 400 HA ARG 51 HA ARG 51 -5.779 -0.146 -1.500 401 1HB ARG 51 HB2 ARG 51 -6.212 -1.514 -4.130 402 2HB ARG 51 HB1 ARG 51 -7.600 -1.116 -3.126 403 1HG ARG 51 HG2 ARG 51 -5.971 1.186 -3.241 404 2HG ARG 51 HG1 ARG 51 -6.120 0.560 -4.885 405 1HD ARG 51 HD2 ARG 51 -8.621 0.397 -4.413 406 2HD ARG 51 HD1 ARG 51 -8.302 1.396 -2.995 407 HE ARG 51 HE ARG 51 -7.157 2.742 -5.090 408 1HH1 ARG 51 HH11 ARG 51 -10.350 1.570 -4.329 409 2HH1 ARG 51 HH12 ARG 51 -11.159 2.821 -5.213 410 1HH2 ARG 51 HH21 ARG 51 -8.215 4.391 -6.255 411 2HH2 ARG 51 HH22 ARG 51 -9.946 4.424 -6.308 412 H ALA 52 HN ALA 52 -5.685 -3.482 -2.741 413 HA ALA 52 HA ALA 52 -7.577 -4.523 -0.935 414 1HB ALA 52 HB1 ALA 52 -5.315 -6.032 -2.238 415 2HB ALA 52 HB2 ALA 52 -6.838 -5.633 -3.032 416 3HB ALA 52 HB3 ALA 52 -6.829 -6.699 -1.627 417 H PHE 53 HN PHE 53 -4.134 -4.001 -0.683 418 HA PHE 53 HA PHE 53 -3.753 -5.545 1.687 419 1HB PHE 53 HB2 PHE 53 -2.043 -4.646 -0.132 420 2HB PHE 53 HB1 PHE 53 -1.929 -3.287 0.982 421 HD1 PHE 53 HD1 PHE 53 0.129 -5.499 0.094 422 HD2 PHE 53 HD2 PHE 53 -2.274 -4.890 3.553 423 HE1 PHE 53 HE1 PHE 53 1.758 -6.754 1.443 424 HE2 PHE 53 HE2 PHE 53 -0.649 -6.144 4.907 425 HZ PHE 53 HZ PHE 53 1.371 -7.076 3.852 426 H ARG 54 HN ARG 54 -3.757 -2.016 1.115 427 HA ARG 54 HA ARG 54 -3.631 -1.196 3.761 428 1HB ARG 54 HB2 ARG 54 -4.709 0.037 1.261 429 2HB ARG 54 HB1 ARG 54 -5.038 0.824 2.801 430 1HG ARG 54 HG2 ARG 54 -2.632 0.951 3.243 431 2HG ARG 54 HG1 ARG 54 -2.316 0.183 1.683 432 1HD ARG 54 HD2 ARG 54 -2.069 2.631 1.594 433 2HD ARG 54 HD1 ARG 54 -3.339 2.040 0.521 434 HE ARG 54 HE ARG 54 -3.749 3.479 3.051 435 1HH1 ARG 54 HH11 ARG 54 -4.972 2.218 0.042 436 2HH1 ARG 54 HH12 ARG 54 -6.480 3.062 0.153 437 1HH2 ARG 54 HH21 ARG 54 -5.731 4.594 3.206 438 2HH2 ARG 54 HH22 ARG 54 -6.912 4.413 1.951 439 H GLU 55 HN GLU 55 -6.388 -2.253 1.870 440 HA GLU 55 HA GLU 55 -8.388 -1.394 3.684 441 1HB GLU 55 HB2 GLU 55 -8.281 -3.227 1.340 442 2HB GLU 55 HB1 GLU 55 -9.663 -3.353 2.419 443 1HG GLU 55 HG2 GLU 55 -9.971 -0.869 2.115 444 2HG GLU 55 HG1 GLU 55 -8.776 -0.970 0.823 445 H GLU 56 HN GLU 56 -7.067 -4.659 3.064 446 HA GLU 56 HA GLU 56 -8.465 -5.884 5.189 447 1HB GLU 56 HB2 GLU 56 -6.075 -6.675 3.549 448 2HB GLU 56 HB1 GLU 56 -6.638 -7.680 4.880 449 1HG GLU 56 HG2 GLU 56 -8.884 -7.026 3.290 450 2HG GLU 56 HG1 GLU 56 -7.593 -7.555 2.212 451 H ALA 57 HN ALA 57 -5.554 -4.020 5.110 452 HA ALA 57 HA ALA 57 -4.583 -5.057 7.640 453 1HB ALA 57 HB1 ALA 57 -3.507 -2.699 6.113 454 2HB ALA 57 HB2 ALA 57 -3.079 -4.369 5.741 455 3HB ALA 57 HB3 ALA 57 -2.680 -3.688 7.317 456 H ILE 58 HN ILE 58 -5.424 -1.804 6.439 457 HA ILE 58 HA ILE 58 -5.460 -0.534 8.916 458 HB ILE 58 HB ILE 58 -7.064 0.143 6.450 459 1HG1 ILE 58 HG12 ILE 58 -4.549 1.488 7.411 460 2HG1 ILE 58 HG11 ILE 58 -4.480 0.051 6.391 461 1HG2 ILE 58 HG21 ILE 58 -6.683 2.498 7.719 462 2HG2 ILE 58 HG22 ILE 58 -6.872 1.413 9.097 463 3HG2 ILE 58 HG23 ILE 58 -8.139 1.516 7.875 464 1HD1 ILE 58 HD11 ILE 58 -6.029 1.378 4.816 465 2HD1 ILE 58 HD12 ILE 58 -4.315 1.788 4.878 466 3HD1 ILE 58 HD13 ILE 58 -5.492 2.783 5.736 467 H LYS 59 HN LYS 59 -8.077 -2.202 7.204 468 HA LYS 59 HA LYS 59 -10.210 -1.467 8.808 469 1HB LYS 59 HB2 LYS 59 -9.613 -3.895 7.171 470 2HB LYS 59 HB1 LYS 59 -11.022 -3.903 8.221 471 1HG LYS 59 HG2 LYS 59 -11.121 -1.469 6.846 472 2HG LYS 59 HG1 LYS 59 -10.677 -2.689 5.648 473 1HD LYS 59 HD2 LYS 59 -12.600 -4.024 6.231 474 2HD LYS 59 HD1 LYS 59 -13.005 -2.928 7.553 475 1HE LYS 59 HE2 LYS 59 -14.256 -1.755 6.144 476 2HE LYS 59 HE1 LYS 59 -12.798 -1.340 5.244 477 1HZ LYS 59 HZ1 LYS 59 -13.198 -3.672 4.189 478 2HZ LYS 59 HZ2 LYS 59 -14.056 -2.326 3.630 479 3HZ LYS 59 HZ3 LYS 59 -14.794 -3.418 4.690 480 H PHE 60 HN PHE 60 -7.938 -4.183 9.264 481 HA PHE 60 HA PHE 60 -7.998 -3.986 12.062 482 1HB PHE 60 HB2 PHE 60 -9.192 -6.097 12.624 483 2HB PHE 60 HB1 PHE 60 -10.248 -4.846 11.979 484 HD1 PHE 60 HD1 PHE 60 -9.166 -8.223 11.693 485 HD2 PHE 60 HD2 PHE 60 -10.876 -5.004 9.503 486 HE1 PHE 60 HE1 PHE 60 -10.015 -9.817 10.022 487 HE2 PHE 60 HE2 PHE 60 -11.725 -6.589 7.825 488 HZ PHE 60 HZ PHE 60 -11.296 -9.000 8.084 489 H SER 61 HN SER 61 -5.788 -4.159 11.767 490 HA SER 61 HA SER 61 -4.693 -6.718 12.020 491 1HB SER 61 HB2 SER 61 -4.965 -5.758 9.270 492 2HB SER 61 HB1 SER 61 -3.313 -6.210 9.689 493 HG SER 61 HG SER 61 -3.897 -8.219 9.642 494 H GLU 62 HN GLU 62 -2.898 -4.583 9.985 495 HA GLU 62 HA GLU 62 -1.512 -3.477 12.326 496 1HB GLU 62 HB2 GLU 62 -0.134 -4.617 9.888 497 2HB GLU 62 HB1 GLU 62 0.651 -3.893 11.288 498 1HG GLU 62 HG2 GLU 62 -0.251 -5.696 12.697 499 2HG GLU 62 HG1 GLU 62 -0.963 -6.435 11.261 500 H GLU 63 HN GLU 63 -3.130 -1.801 11.479 501 HA GLU 63 HA GLU 63 -2.833 -0.387 9.133 502 1HB GLU 63 HB2 GLU 63 -3.709 1.584 10.422 503 2HB GLU 63 HB1 GLU 63 -4.662 0.114 10.576 504 1HG GLU 63 HG2 GLU 63 -2.570 0.579 12.613 505 2HG GLU 63 HG1 GLU 63 -3.986 1.631 12.654 506 H GLN 64 HN GLN 64 -0.833 -0.245 12.015 507 HA GLN 64 HA GLN 64 0.601 2.110 11.178 508 1HB GLN 64 HB2 GLN 64 1.148 0.079 13.352 509 2HB GLN 64 HB1 GLN 64 2.118 1.520 13.086 510 1HG GLN 64 HG2 GLN 64 0.322 2.947 13.660 511 2HG GLN 64 HG1 GLN 64 -0.834 1.617 13.623 512 1HE2 GLN 64 HE21 GLN 64 1.786 3.092 15.388 513 2HE2 GLN 64 HE22 GLN 64 1.488 2.291 16.890 514 H ARG 65 HN ARG 65 0.883 -1.300 10.637 515 HA ARG 65 HA ARG 65 3.646 -1.395 10.015 516 1HB ARG 65 HB2 ARG 65 2.414 -3.445 10.434 517 2HB ARG 65 HB1 ARG 65 1.348 -3.123 9.074 518 1HG ARG 65 HG2 ARG 65 3.296 -3.314 7.560 519 2HG ARG 65 HG1 ARG 65 4.286 -3.766 8.950 520 1HD ARG 65 HD2 ARG 65 2.120 -5.456 9.143 521 2HD ARG 65 HD1 ARG 65 2.392 -5.352 7.402 522 HE ARG 65 HE ARG 65 4.315 -6.339 9.394 523 1HH1 ARG 65 HH11 ARG 65 3.317 -5.929 6.080 524 2HH1 ARG 65 HH12 ARG 65 4.505 -7.023 5.453 525 1HH2 ARG 65 HH21 ARG 65 5.880 -7.780 8.577 526 2HH2 ARG 65 HH22 ARG 65 5.961 -8.076 6.872 527 H PHE 66 HN PHE 66 0.874 -0.213 8.399 528 HA PHE 66 HA PHE 66 2.158 -0.164 5.784 529 1HB PHE 66 HB2 PHE 66 -0.499 -0.390 6.568 530 2HB PHE 66 HB1 PHE 66 -0.371 1.271 5.987 531 HD1 PHE 66 HD1 PHE 66 1.153 1.393 3.729 532 HD2 PHE 66 HD2 PHE 66 -1.200 -1.910 5.017 533 HE1 PHE 66 HE1 PHE 66 1.022 0.586 1.408 534 HE2 PHE 66 HE2 PHE 66 -1.335 -2.721 2.701 535 HZ PHE 66 HZ PHE 66 -0.222 -1.475 0.892 536 H ASN 67 HN ASN 67 0.967 2.027 8.288 537 HA ASN 67 HA ASN 67 1.660 4.426 6.936 538 1HB ASN 67 HB2 ASN 67 0.882 5.521 8.801 539 2HB ASN 67 HB1 ASN 67 0.100 3.971 9.034 540 1HD2 ASN 67 HD21 ASN 67 0.659 5.924 11.005 541 2HD2 ASN 67 HD22 ASN 67 1.723 5.212 12.162 542 H ASN 68 HN ASN 68 3.387 2.046 8.526 543 HA ASN 68 HA ASN 68 5.673 3.632 9.305 544 1HB ASN 68 HB2 ASN 68 5.112 1.504 10.460 545 2HB ASN 68 HB1 ASN 68 5.456 0.627 8.972 546 1HD2 ASN 68 HD21 ASN 68 6.735 2.002 11.795 547 2HD2 ASN 68 HD22 ASN 68 8.404 1.695 11.474 548 H PHE 69 HN PHE 69 5.178 1.066 6.886 549 HA PHE 69 HA PHE 69 7.513 1.607 5.420 550 1HB PHE 69 HB2 PHE 69 5.815 -0.421 5.360 551 2HB PHE 69 HB1 PHE 69 5.100 0.505 4.041 552 HD1 PHE 69 HD1 PHE 69 6.297 0.836 1.963 553 HD2 PHE 69 HD2 PHE 69 7.994 -1.427 5.142 554 HE1 PHE 69 HE1 PHE 69 7.975 -0.077 0.412 555 HE2 PHE 69 HE2 PHE 69 9.676 -2.343 3.597 556 HZ PHE 69 HZ PHE 69 9.668 -1.668 1.229 557 H LEU 70 HN LEU 70 4.376 3.059 5.391 558 HA LEU 70 HA LEU 70 4.549 4.328 2.850 559 1HB LEU 70 HB2 LEU 70 2.680 4.243 5.024 560 2HB LEU 70 HB1 LEU 70 2.949 5.914 4.564 561 HG LEU 70 HG LEU 70 1.988 3.689 2.762 562 1HD1 LEU 70 HD11 LEU 70 -0.029 4.287 3.463 563 2HD1 LEU 70 HD12 LEU 70 0.248 5.892 2.785 564 3HD1 LEU 70 HD13 LEU 70 0.657 5.563 4.469 565 1HD2 LEU 70 HD21 LEU 70 3.348 5.073 1.407 566 2HD2 LEU 70 HD22 LEU 70 2.737 6.542 2.167 567 3HD2 LEU 70 HD23 LEU 70 1.685 5.587 1.122 568 H LYS 71 HN LYS 71 5.117 5.485 6.164 569 HA LYS 71 HA LYS 71 5.880 8.077 5.584 570 1HB LYS 71 HB2 LYS 71 6.321 6.192 7.805 571 2HB LYS 71 HB1 LYS 71 7.512 7.479 7.683 572 1HG LYS 71 HG2 LYS 71 5.630 9.117 7.659 573 2HG LYS 71 HG1 LYS 71 4.534 7.772 7.993 574 1HD LYS 71 HD2 LYS 71 5.968 7.278 10.017 575 2HD LYS 71 HD1 LYS 71 6.762 8.827 9.724 576 1HE LYS 71 HE2 LYS 71 4.707 10.013 10.030 577 2HE LYS 71 HE1 LYS 71 3.787 8.509 10.084 578 1HZ LYS 71 HZ1 LYS 71 4.234 9.555 12.287 579 2HZ LYS 71 HZ2 LYS 71 5.876 9.212 12.068 580 3HZ LYS 71 HZ3 LYS 71 4.754 7.950 12.158 581 H ALA 72 HN ALA 72 7.811 5.112 5.549 582 HA ALA 72 HA ALA 72 10.259 6.480 4.933 583 1HB ALA 72 HB1 ALA 72 11.238 4.304 4.747 584 2HB ALA 72 HB2 ALA 72 9.651 3.547 4.609 585 3HB ALA 72 HB3 ALA 72 10.141 4.298 6.128 586 H LEU 73 HN LEU 73 7.918 4.582 3.074 587 HA LEU 73 HA LEU 73 9.238 4.556 0.623 588 1HB LEU 73 HB2 LEU 73 7.346 3.155 0.922 589 2HB LEU 73 HB1 LEU 73 6.312 4.514 1.329 590 HG LEU 73 HG LEU 73 6.772 5.305 -1.096 591 1HD1 LEU 73 HD11 LEU 73 7.450 2.377 -1.338 592 2HD1 LEU 73 HD12 LEU 73 8.573 3.718 -1.561 593 3HD1 LEU 73 HD13 LEU 73 7.221 3.506 -2.673 594 1HD2 LEU 73 HD21 LEU 73 5.002 3.062 -0.216 595 2HD2 LEU 73 HD22 LEU 73 5.003 3.588 -1.900 596 3HD2 LEU 73 HD23 LEU 73 4.585 4.728 -0.621 597 H GLN 74 HN GLN 74 6.902 6.903 1.895 598 HA GLN 74 HA GLN 74 6.732 8.563 -0.330 599 1HB GLN 74 HB2 GLN 74 5.305 8.645 1.747 600 2HB GLN 74 HB1 GLN 74 6.627 9.489 2.541 601 1HG GLN 74 HG2 GLN 74 5.694 10.602 -0.031 602 2HG GLN 74 HG1 GLN 74 4.601 10.741 1.345 603 1HE2 GLN 74 HE21 GLN 74 6.093 12.787 -0.149 604 2HE2 GLN 74 HE22 GLN 74 7.034 13.631 1.029 605 H GLU 75 HN GLU 75 8.840 8.936 2.529 606 HA GLU 75 HA GLU 75 10.222 11.182 1.510 607 1HB GLU 75 HB2 GLU 75 11.800 10.835 3.314 608 2HB GLU 75 HB1 GLU 75 10.163 10.588 3.904 609 1HG GLU 75 HG2 GLU 75 10.463 8.184 3.802 610 2HG GLU 75 HG1 GLU 75 12.083 8.400 3.140 611 H LYS 76 HN LYS 76 10.738 7.737 1.183 612 HA LYS 76 HA LYS 76 13.380 7.847 0.182 613 1HB LYS 76 HB2 LYS 76 11.202 5.818 0.233 614 2HB LYS 76 HB1 LYS 76 12.515 5.573 -0.911 615 1HG LYS 76 HG2 LYS 76 14.105 5.814 1.019 616 2HG LYS 76 HG1 LYS 76 12.697 5.772 2.083 617 1HD LYS 76 HD2 LYS 76 12.115 3.571 1.328 618 2HD LYS 76 HD1 LYS 76 13.359 3.620 0.077 619 1HE LYS 76 HE2 LYS 76 15.102 3.569 1.704 620 2HE LYS 76 HE1 LYS 76 13.955 3.806 3.023 621 1HZ LYS 76 HZ1 LYS 76 14.535 1.524 2.978 622 2HZ LYS 76 HZ2 LYS 76 14.259 1.402 1.314 623 3HZ LYS 76 HZ3 LYS 76 12.959 1.631 2.371 624 H VAL 77 HN VAL 77 10.292 7.350 -1.547 625 HA VAL 77 HA VAL 77 11.454 7.603 -4.116 626 HB VAL 77 HB VAL 77 9.335 7.427 -5.022 627 1HG1 VAL 77 HG11 VAL 77 9.949 5.787 -2.888 628 2HG1 VAL 77 HG12 VAL 77 8.724 5.490 -4.121 629 3HG1 VAL 77 HG13 VAL 77 8.272 6.251 -2.598 630 1HG2 VAL 77 HG21 VAL 77 7.299 7.964 -3.396 631 2HG2 VAL 77 HG22 VAL 77 8.054 9.194 -4.409 632 3HG2 VAL 77 HG23 VAL 77 8.491 9.066 -2.705 633 H GLU 78 HN GLU 78 10.587 9.886 -1.748 634 HA GLU 78 HA GLU 78 10.063 12.100 -3.460 635 1HB GLU 78 HB2 GLU 78 10.237 11.609 -0.613 636 2HB GLU 78 HB1 GLU 78 11.051 13.106 -1.042 637 1HG GLU 78 HG2 GLU 78 8.759 13.367 -2.446 638 2HG GLU 78 HG1 GLU 78 8.196 12.432 -1.062 639 H ILE 79 HN ILE 79 12.870 11.267 -1.436 640 HA ILE 79 HA ILE 79 14.528 13.220 -2.718 641 HB ILE 79 HB ILE 79 15.457 10.954 -0.960 642 1HG1 ILE 79 HG12 ILE 79 15.098 13.592 0.273 643 2HG1 ILE 79 HG11 ILE 79 13.586 12.846 -0.244 644 1HG2 ILE 79 HG21 ILE 79 17.074 12.431 -2.330 645 2HG2 ILE 79 HG22 ILE 79 17.402 12.178 -0.616 646 3HG2 ILE 79 HG23 ILE 79 16.668 13.686 -1.159 647 1HD1 ILE 79 HD11 ILE 79 13.807 12.116 1.926 648 2HD1 ILE 79 HD12 ILE 79 15.554 11.911 1.792 649 3HD1 ILE 79 HD13 ILE 79 14.468 10.767 1.003 650 H LYS 80 HN LYS 80 13.704 11.920 -4.837 651 HA LYS 80 HA LYS 80 14.469 11.066 -6.772 652 1HB LYS 80 HB2 LYS 80 16.608 11.522 -7.158 653 2HB LYS 80 HB1 LYS 80 16.795 11.851 -5.444 654 1HG LYS 80 HG2 LYS 80 17.718 9.760 -5.018 655 2HG LYS 80 HG1 LYS 80 17.075 9.066 -6.507 656 1HD LYS 80 HD2 LYS 80 19.393 9.359 -6.869 657 2HD LYS 80 HD1 LYS 80 18.593 10.660 -7.753 658 1HE LYS 80 HE2 LYS 80 19.013 11.732 -5.240 659 2HE LYS 80 HE1 LYS 80 20.472 10.788 -5.538 660 1HZ LYS 80 HZ1 LYS 80 20.258 12.012 -7.862 661 2HZ LYS 80 HZ2 LYS 80 21.076 12.700 -6.552 662 3HZ LYS 80 HZ3 LYS 80 19.489 13.172 -6.899 663 H GLN 81 HN GLN 81 13.568 9.288 -7.327 664 HA GLN 81 HA GLN 81 14.573 6.743 -7.143 665 1HB GLN 81 HB2 GLN 81 13.315 7.528 -4.665 666 2HB GLN 81 HB1 GLN 81 12.454 6.175 -5.386 667 1HG GLN 81 HG2 GLN 81 14.868 5.196 -5.666 668 2HG GLN 81 HG1 GLN 81 15.240 6.324 -4.363 669 1HE2 GLN 81 HE21 GLN 81 15.344 3.461 -4.273 670 2HE2 GLN 81 HE22 GLN 81 14.224 2.950 -3.061 671 H LEU 82 HN LEU 82 11.234 7.350 -6.192 672 HA LEU 82 HA LEU 82 10.326 7.091 -8.948 673 1HB LEU 82 HB2 LEU 82 8.571 5.391 -7.912 674 2HB LEU 82 HB1 LEU 82 10.096 4.863 -8.599 675 HG LEU 82 HG LEU 82 10.143 5.480 -5.710 676 1HD1 LEU 82 HD11 LEU 82 9.197 3.227 -5.188 677 2HD1 LEU 82 HD12 LEU 82 8.608 3.153 -6.849 678 3HD1 LEU 82 HD13 LEU 82 8.015 4.405 -5.757 679 1HD2 LEU 82 HD21 LEU 82 11.338 3.495 -7.599 680 2HD2 LEU 82 HD22 LEU 82 11.344 3.183 -5.863 681 3HD2 LEU 82 HD23 LEU 82 12.139 4.621 -6.503 682 H ASN 83 HN ASN 83 9.883 9.363 -8.338 683 HA ASN 83 HA ASN 83 7.889 9.954 -6.388 684 1HB ASN 83 HB2 ASN 83 9.330 11.740 -6.838 685 2HB ASN 83 HB1 ASN 83 9.232 11.507 -8.580 686 1HD2 ASN 83 HD21 ASN 83 8.196 13.078 -9.551 687 2HD2 ASN 83 HD22 ASN 83 6.848 13.959 -8.925 688 H HIS 84 HN HIS 84 7.786 8.719 -9.548 689 HA HIS 84 HA HIS 84 5.343 9.807 -10.453 690 1HB HIS 84 HB2 HIS 84 5.334 7.585 -11.841 691 2HB HIS 84 HB1 HIS 84 6.542 8.822 -12.168 692 HD1 HIS 84 HD1 HIS 84 8.915 8.083 -12.105 693 HD2 HIS 84 HD2 HIS 84 6.390 5.408 -10.172 694 HE1 HIS 84 HE1 HIS 84 10.354 6.108 -11.512 695 HE2 HIS 84 HE2 HIS 84 8.788 4.470 -10.410 696 H PHE 85 HN PHE 85 6.106 6.890 -8.590 697 HA PHE 85 HA PHE 85 3.501 5.819 -8.577 698 1HB PHE 85 HB2 PHE 85 5.660 4.649 -7.882 699 2HB PHE 85 HB1 PHE 85 5.495 5.482 -6.336 700 HD1 PHE 85 HD1 PHE 85 3.472 3.378 -8.662 701 HD2 PHE 85 HD2 PHE 85 4.409 4.380 -4.632 702 HE1 PHE 85 HE1 PHE 85 1.967 1.601 -7.874 703 HE2 PHE 85 HE2 PHE 85 2.902 2.599 -3.835 704 HZ PHE 85 HZ PHE 85 1.682 1.208 -5.460 705 H TRP 86 HN TRP 86 4.957 8.416 -6.821 706 HA TRP 86 HA TRP 86 3.003 8.457 -4.717 707 1HB TRP 86 HB2 TRP 86 5.336 9.327 -4.461 708 2HB TRP 86 HB1 TRP 86 4.913 10.650 -5.545 709 HD1 TRP 86 HD1 TRP 86 4.316 12.775 -4.285 710 HE1 TRP 86 HE1 TRP 86 3.265 13.351 -2.003 711 HE3 TRP 86 HE3 TRP 86 3.474 8.040 -2.572 712 HZ2 TRP 86 HZ2 TRP 86 2.217 11.968 0.229 713 HZ3 TRP 86 HZ3 TRP 86 2.446 7.747 -0.357 714 HH2 TRP 86 HH2 TRP 86 1.830 9.671 1.013 715 H GLU 87 HN GLU 87 3.649 10.425 -7.614 716 HA GLU 87 HA GLU 87 1.435 12.148 -7.310 717 1HB GLU 87 HB2 GLU 87 3.140 11.352 -9.658 718 2HB GLU 87 HB1 GLU 87 1.744 12.400 -9.875 719 1HG GLU 87 HG2 GLU 87 2.686 14.037 -8.377 720 2HG GLU 87 HG1 GLU 87 4.042 12.969 -8.018 721 H ILE 88 HN ILE 88 1.732 8.910 -8.266 722 HA ILE 88 HA ILE 88 -0.785 8.802 -9.714 723 HB ILE 88 HB ILE 88 1.205 6.675 -8.930 724 1HG1 ILE 88 HG12 ILE 88 0.272 7.433 -11.693 725 2HG1 ILE 88 HG11 ILE 88 1.573 8.311 -10.889 726 1HG2 ILE 88 HG21 ILE 88 -0.711 5.413 -8.804 727 2HG2 ILE 88 HG22 ILE 88 -0.328 5.267 -10.519 728 3HG2 ILE 88 HG23 ILE 88 -1.570 6.401 -9.986 729 1HD1 ILE 88 HD11 ILE 88 2.675 6.748 -12.198 730 2HD1 ILE 88 HD12 ILE 88 1.516 5.472 -11.826 731 3HD1 ILE 88 HD13 ILE 88 2.664 6.006 -10.598 732 H VAL 89 HN VAL 89 0.520 7.109 -6.869 733 HA VAL 89 HA VAL 89 -1.785 6.071 -5.835 734 HB VAL 89 HB VAL 89 0.630 7.149 -4.392 735 1HG1 VAL 89 HG11 VAL 89 -0.271 5.675 -2.478 736 2HG1 VAL 89 HG12 VAL 89 -1.836 5.872 -3.267 737 3HG1 VAL 89 HG13 VAL 89 -0.954 7.287 -2.693 738 1HG2 VAL 89 HG21 VAL 89 -0.171 4.282 -4.537 739 2HG2 VAL 89 HG22 VAL 89 1.436 4.999 -4.423 740 3HG2 VAL 89 HG23 VAL 89 0.558 5.043 -5.951 741 H VAL 90 HN VAL 90 -0.746 9.415 -5.714 742 HA VAL 90 HA VAL 90 -2.705 10.158 -3.729 743 HB VAL 90 HB VAL 90 -0.590 11.413 -3.920 744 1HG1 VAL 90 HG11 VAL 90 0.009 12.719 -5.741 745 2HG1 VAL 90 HG12 VAL 90 -1.623 12.710 -6.411 746 3HG1 VAL 90 HG13 VAL 90 -0.628 11.256 -6.492 747 1HG2 VAL 90 HG21 VAL 90 -2.953 13.169 -4.557 748 2HG2 VAL 90 HG22 VAL 90 -1.518 13.595 -3.624 749 3HG2 VAL 90 HG23 VAL 90 -2.671 12.423 -2.984 750 H GLN 91 HN GLN 91 -2.284 10.703 -7.212 751 HA GLN 91 HA GLN 91 -4.637 12.054 -7.737 752 1HB GLN 91 HB2 GLN 91 -2.635 11.376 -9.289 753 2HB GLN 91 HB1 GLN 91 -3.649 9.991 -9.671 754 1HG GLN 91 HG2 GLN 91 -5.411 11.450 -10.446 755 2HG GLN 91 HG1 GLN 91 -4.475 12.869 -9.978 756 1HE2 GLN 91 HE21 GLN 91 -3.043 13.692 -11.373 757 2HE2 GLN 91 HE22 GLN 91 -2.637 12.996 -12.901 758 H ASP 92 HN ASP 92 -4.091 8.594 -7.361 759 HA ASP 92 HA ASP 92 -6.642 7.741 -8.223 760 1HB ASP 92 HB2 ASP 92 -4.279 6.518 -7.367 761 2HB ASP 92 HB1 ASP 92 -5.496 6.012 -6.200 762 H GLY 93 HN GLY 93 -6.031 9.741 -5.759 763 1HA GLY 93 HA2 GLY 93 -7.457 10.525 -4.120 764 2HA GLY 93 HA1 GLY 93 -8.562 9.211 -4.505 765 H ILE 94 HN ILE 94 -5.662 7.736 -4.017 766 HA ILE 94 HA ILE 94 -6.430 6.564 -1.582 767 HB ILE 94 HB ILE 94 -3.605 6.704 -2.627 768 1HG1 ILE 94 HG12 ILE 94 -5.285 5.974 -4.366 769 2HG1 ILE 94 HG11 ILE 94 -4.038 4.788 -3.989 770 1HG2 ILE 94 HG21 ILE 94 -3.670 4.331 -1.570 771 2HG2 ILE 94 HG22 ILE 94 -5.053 4.968 -0.679 772 3HG2 ILE 94 HG23 ILE 94 -3.477 5.747 -0.536 773 1HD1 ILE 94 HD11 ILE 94 -5.519 3.305 -3.206 774 2HD1 ILE 94 HD12 ILE 94 -6.684 4.256 -4.129 775 3HD1 ILE 94 HD13 ILE 94 -6.488 4.539 -2.400 776 H THR 95 HN THR 95 -6.144 7.145 0.484 777 HA THR 95 HA THR 95 -4.388 9.449 1.031 778 HB THR 95 HB THR 95 -5.881 10.151 2.794 779 HG1 THR 95 HG1 THR 95 -6.879 8.444 3.643 780 1HG2 THR 95 HG21 THR 95 -7.600 9.537 0.395 781 2HG2 THR 95 HG22 THR 95 -6.367 10.798 0.403 782 3HG2 THR 95 HG23 THR 95 -7.738 10.899 1.507 783 H LEU 96 HN LEU 96 -3.127 9.426 2.859 784 HA LEU 96 HA LEU 96 -1.981 7.108 3.725 785 1HB LEU 96 HB2 LEU 96 -2.143 9.869 4.755 786 2HB LEU 96 HB1 LEU 96 -1.676 8.654 5.934 787 HG LEU 96 HG LEU 96 0.117 9.966 4.511 788 1HD1 LEU 96 HD11 LEU 96 1.084 8.585 6.006 789 2HD1 LEU 96 HD12 LEU 96 1.419 7.635 4.558 790 3HD1 LEU 96 HD13 LEU 96 0.047 7.221 5.587 791 1HD2 LEU 96 HD21 LEU 96 -0.863 9.233 2.345 792 2HD2 LEU 96 HD22 LEU 96 -0.402 7.579 2.748 793 3HD2 LEU 96 HD23 LEU 96 0.839 8.814 2.540 794 H ILE 97 HN ILE 97 -1.918 6.373 6.092 795 HA ILE 97 HA ILE 97 -4.412 5.178 6.690 796 HB ILE 97 HB ILE 97 -1.712 5.218 7.941 797 1HG1 ILE 97 HG12 ILE 97 -2.135 2.732 7.885 798 2HG1 ILE 97 HG11 ILE 97 -3.677 3.079 7.107 799 1HG2 ILE 97 HG21 ILE 97 -4.229 4.562 9.426 800 2HG2 ILE 97 HG22 ILE 97 -2.848 5.529 9.946 801 3HG2 ILE 97 HG23 ILE 97 -2.700 3.776 9.822 802 1HD1 ILE 97 HD11 ILE 97 -2.370 4.254 5.305 803 2HD1 ILE 97 HD12 ILE 97 -2.159 2.506 5.394 804 3HD1 ILE 97 HD13 ILE 97 -0.916 3.578 6.038 805 H THR 98 HN THR 98 -6.097 6.311 7.426 806 HA THR 98 HA THR 98 -5.675 8.630 9.134 807 HB THR 98 HB THR 98 -8.422 7.721 8.444 808 HG1 THR 98 HG1 THR 98 -7.131 7.453 6.500 809 1HG2 THR 98 HG21 THR 98 -8.643 10.198 8.023 810 2HG2 THR 98 HG22 THR 98 -6.985 10.366 8.600 811 3HG2 THR 98 HG23 THR 98 -8.235 9.748 9.679 812 H LYS 99 HN LYS 99 -6.114 8.739 11.241 813 HA LYS 99 HA LYS 99 -6.205 6.611 12.925 814 1HB LYS 99 HB2 LYS 99 -7.456 8.296 14.503 815 2HB LYS 99 HB1 LYS 99 -5.799 8.600 14.009 816 1HG LYS 99 HG2 LYS 99 -6.370 10.357 12.677 817 2HG LYS 99 HG1 LYS 99 -7.978 9.717 12.332 818 1HD LYS 99 HD2 LYS 99 -8.731 11.215 13.809 819 2HD LYS 99 HD1 LYS 99 -8.044 10.167 15.051 820 1HE LYS 99 HE2 LYS 99 -6.657 11.798 15.634 821 2HE LYS 99 HE1 LYS 99 -5.932 11.736 14.028 822 1HZ LYS 99 HZ1 LYS 99 -7.953 13.198 13.395 823 2HZ LYS 99 HZ2 LYS 99 -6.626 13.907 14.169 824 3HZ LYS 99 HZ3 LYS 99 -8.021 13.537 15.052 825 H GLU 100 HN GLU 100 -9.067 8.437 11.831 826 HA GLU 100 HA GLU 100 -10.959 6.838 13.162 827 1HB GLU 100 HB2 GLU 100 -11.267 9.154 12.111 828 2HB GLU 100 HB1 GLU 100 -11.498 8.304 10.589 829 1HG GLU 100 HG2 GLU 100 -13.459 7.261 11.342 830 2HG GLU 100 HG1 GLU 100 -13.127 7.669 13.025 831 H GLU 101 HN GLU 101 -9.261 6.389 10.168 832 HA GLU 101 HA GLU 101 -11.071 4.438 9.101 833 1HB GLU 101 HB2 GLU 101 -8.308 5.359 8.358 834 2HB GLU 101 HB1 GLU 101 -9.046 3.970 7.568 835 1HG GLU 101 HG2 GLU 101 -11.039 5.731 7.297 836 2HG GLU 101 HG1 GLU 101 -9.670 6.844 7.335 837 H ALA 102 HN ALA 102 -8.626 4.371 11.465 838 HA ALA 102 HA ALA 102 -8.091 1.522 11.110 839 1HB ALA 102 HB1 ALA 102 -6.320 1.771 12.649 840 2HB ALA 102 HB2 ALA 102 -6.955 3.302 13.250 841 3HB ALA 102 HB3 ALA 102 -6.275 3.207 11.625 842 H SER 103 HN SER 103 -10.654 2.901 12.181 843 HA SER 103 HA SER 103 -12.227 2.591 13.801 844 1HB SER 103 HB2 SER 103 -11.557 0.178 12.728 845 2HB SER 103 HB1 SER 103 -11.312 -0.135 14.446 846 HG SER 103 HG SER 103 -13.390 -0.184 14.673 847 H GLY 104 HN GLY 104 -9.306 3.239 14.677 848 1HA GLY 104 HA2 GLY 104 -9.838 2.767 17.542 849 2HA GLY 104 HA1 GLY 104 -8.236 2.499 16.867 850 H SER 105 HN SER 105 -9.261 4.998 15.132 851 HA SER 105 HA SER 105 -8.721 7.206 15.089 852 1HB SER 105 HB2 SER 105 -10.659 7.185 16.703 853 2HB SER 105 HB1 SER 105 -9.479 7.188 18.016 854 HG SER 105 HG SER 105 -9.873 9.292 17.704 855 H SER 106 HN SER 106 -6.489 5.668 15.321 856 HA SER 106 HA SER 106 -4.821 7.220 17.190 857 1HB SER 106 HB2 SER 106 -5.190 4.682 17.647 858 2HB SER 106 HB1 SER 106 -4.064 4.451 16.309 859 HG SER 106 HG SER 106 -3.569 5.192 18.867 860 H VAL 107 HN VAL 107 -4.266 8.751 15.638 861 HA VAL 107 HA VAL 107 -1.975 8.190 14.101 862 HB VAL 107 HB VAL 107 -4.518 7.921 12.682 863 1HG1 VAL 107 HG11 VAL 107 -3.757 9.052 10.625 864 2HG1 VAL 107 HG12 VAL 107 -2.410 9.743 11.529 865 3HG1 VAL 107 HG13 VAL 107 -4.068 10.183 11.942 866 1HG2 VAL 107 HG21 VAL 107 -2.158 6.570 12.845 867 2HG2 VAL 107 HG22 VAL 107 -2.007 7.383 11.287 868 3HG2 VAL 107 HG23 VAL 107 -3.383 6.324 11.600 869 H THR 108 HN THR 108 -0.991 10.068 13.293 870 HA THR 108 HA THR 108 -1.994 12.503 14.530 871 HB THR 108 HB THR 108 0.506 12.729 13.035 872 HG1 THR 108 HG1 THR 108 0.166 10.709 14.993 873 1HG2 THR 108 HG21 THR 108 1.269 13.755 15.070 874 2HG2 THR 108 HG22 THR 108 -0.090 13.085 15.972 875 3HG2 THR 108 HG23 THR 108 -0.369 14.325 14.749 876 H ALA 109 HN ALA 109 -2.144 14.494 13.442 877 HA ALA 109 HA ALA 109 -3.397 14.390 10.907 878 1HB ALA 109 HB1 ALA 109 -2.312 16.851 12.262 879 2HB ALA 109 HB2 ALA 109 -3.836 16.084 12.706 880 3HB ALA 109 HB3 ALA 109 -3.624 16.754 11.089 881 H GLU 110 HN GLU 110 -0.179 14.341 11.781 882 HA GLU 110 HA GLU 110 0.866 15.836 9.530 883 1HB GLU 110 HB2 GLU 110 2.154 14.230 11.732 884 2HB GLU 110 HB1 GLU 110 3.081 14.882 10.388 885 1HG GLU 110 HG2 GLU 110 2.446 17.132 10.995 886 2HG GLU 110 HG1 GLU 110 1.415 16.518 12.287 887 H GLU 111 HN GLU 111 -0.226 12.704 10.162 888 HA GLU 111 HA GLU 111 1.451 11.419 8.175 889 1HB GLU 111 HB2 GLU 111 1.046 9.978 9.956 890 2HB GLU 111 HB1 GLU 111 -0.637 10.473 10.106 891 1HG GLU 111 HG2 GLU 111 -1.326 9.137 8.370 892 2HG GLU 111 HG1 GLU 111 0.282 9.045 7.656 893 H ALA 112 HN ALA 112 -2.019 12.163 8.603 894 HA ALA 112 HA ALA 112 -2.563 11.258 5.909 895 1HB ALA 112 HB1 ALA 112 -4.274 12.164 8.185 896 2HB ALA 112 HB2 ALA 112 -4.233 10.599 7.371 897 3HB ALA 112 HB3 ALA 112 -4.934 11.998 6.558 898 H LYS 113 HN LYS 113 -2.400 14.339 7.641 899 HA LYS 113 HA LYS 113 -3.453 15.765 5.342 900 1HB LYS 113 HB2 LYS 113 -3.589 16.258 8.009 901 2HB LYS 113 HB1 LYS 113 -2.278 17.331 7.538 902 1HG LYS 113 HG2 LYS 113 -3.710 18.385 5.881 903 2HG LYS 113 HG1 LYS 113 -5.023 17.282 6.299 904 1HD LYS 113 HD2 LYS 113 -5.062 18.184 8.570 905 2HD LYS 113 HD1 LYS 113 -3.734 19.273 8.167 906 1HE LYS 113 HE2 LYS 113 -5.132 20.359 6.482 907 2HE LYS 113 HE1 LYS 113 -6.457 19.261 6.867 908 1HZ LYS 113 HZ1 LYS 113 -5.229 21.107 8.839 909 2HZ LYS 113 HZ2 LYS 113 -6.640 20.194 9.031 910 3HZ LYS 113 HZ3 LYS 113 -6.610 21.483 7.936 911 H LYS 114 HN LYS 114 -0.352 15.640 7.106 912 HA LYS 114 HA LYS 114 0.951 17.547 5.498 913 1HB LYS 114 HB2 LYS 114 1.582 16.189 7.773 914 2HB LYS 114 HB1 LYS 114 2.644 15.416 6.606 915 1HG LYS 114 HG2 LYS 114 2.534 18.384 6.662 916 2HG LYS 114 HG1 LYS 114 3.392 17.545 7.956 917 1HD LYS 114 HD2 LYS 114 4.926 16.584 6.468 918 2HD LYS 114 HD1 LYS 114 3.906 16.915 5.066 919 1HE LYS 114 HE2 LYS 114 4.392 19.224 5.135 920 2HE LYS 114 HE1 LYS 114 5.093 19.105 6.748 921 1HZ LYS 114 HZ1 LYS 114 6.231 18.009 4.235 922 2HZ LYS 114 HZ2 LYS 114 6.876 17.731 5.774 923 3HZ LYS 114 HZ3 LYS 114 6.838 19.300 5.145 924 H PHE 115 HN PHE 115 0.497 14.087 5.104 925 HA PHE 115 HA PHE 115 2.418 13.769 3.031 926 1HB PHE 115 HB2 PHE 115 0.191 12.123 4.141 927 2HB PHE 115 HB1 PHE 115 0.865 11.679 2.575 928 HD1 PHE 115 HD1 PHE 115 2.476 10.068 2.616 929 HD2 PHE 115 HD2 PHE 115 2.146 12.711 5.933 930 HE1 PHE 115 HE1 PHE 115 4.305 8.874 3.742 931 HE2 PHE 115 HE2 PHE 115 3.977 11.522 7.066 932 HZ PHE 115 HZ PHE 115 5.055 9.599 5.970 933 H LEU 116 HN LEU 116 -1.118 14.173 3.007 934 HA LEU 116 HA LEU 116 -1.174 14.243 0.117 935 1HB LEU 116 HB2 LEU 116 -3.226 14.392 2.283 936 2HB LEU 116 HB1 LEU 116 -3.645 14.935 0.670 937 HG LEU 116 HG LEU 116 -2.378 12.336 0.582 938 1HD1 LEU 116 HD11 LEU 116 -4.922 11.713 1.653 939 2HD1 LEU 116 HD12 LEU 116 -4.092 12.754 2.810 940 3HD1 LEU 116 HD13 LEU 116 -3.331 11.259 2.266 941 1HD2 LEU 116 HD21 LEU 116 -4.624 11.826 -0.523 942 2HD2 LEU 116 HD22 LEU 116 -3.603 13.046 -1.285 943 3HD2 LEU 116 HD23 LEU 116 -4.983 13.539 -0.303 944 H ALA 117 HN ALA 117 0.220 16.350 1.834 945 HA ALA 117 HA ALA 117 -1.233 18.773 1.436 946 1HB ALA 117 HB1 ALA 117 0.965 19.849 2.010 947 2HB ALA 117 HB2 ALA 117 1.648 18.227 2.123 948 3HB ALA 117 HB3 ALA 117 0.349 18.714 3.212 949 HA PRO 118 HA PRO 118 -0.235 19.661 -2.775 950 1HB PRO 118 HB2 PRO 118 -0.112 22.378 -2.731 951 2HB PRO 118 HB1 PRO 118 -1.631 21.479 -2.642 952 1HG PRO 118 HG2 PRO 118 -0.028 22.714 -0.436 953 2HG PRO 118 HG1 PRO 118 -1.784 22.731 -0.689 954 1HD PRO 118 HD2 PRO 118 -0.592 21.054 1.063 955 2HD PRO 118 HD1 PRO 118 -2.054 20.603 0.161 956 H LYS 119 HN LYS 119 1.419 20.491 -4.175 957 HA LYS 119 HA LYS 119 3.883 21.407 -2.900 958 1HB LYS 119 HB2 LYS 119 3.903 18.880 -3.085 959 2HB LYS 119 HB1 LYS 119 3.897 19.088 -4.831 960 1HG LYS 119 HG2 LYS 119 5.976 20.601 -4.361 961 2HG LYS 119 HG1 LYS 119 6.048 19.678 -2.859 962 1HD LYS 119 HD2 LYS 119 6.062 17.591 -4.173 963 2HD LYS 119 HD1 LYS 119 6.061 18.547 -5.657 964 1HE LYS 119 HE2 LYS 119 8.206 19.452 -5.170 965 2HE LYS 119 HE1 LYS 119 8.178 18.801 -3.531 966 1HZ LYS 119 HZ1 LYS 119 8.191 16.557 -4.510 967 2HZ LYS 119 HZ2 LYS 119 9.575 17.445 -4.905 968 3HZ LYS 119 HZ3 LYS 119 8.348 17.239 -6.051 969 H ASP 120 HN ASP 120 5.179 22.662 -4.199 970 HA ASP 120 HA ASP 120 3.962 23.507 -6.724 971 1HB ASP 120 HB2 ASP 120 4.797 25.040 -4.700 972 2HB ASP 120 HB1 ASP 120 6.315 24.933 -5.587 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -5.083 -22.704 -11.845 2 2H GLY 1 HT2 GLY 1 -4.268 -21.221 -11.867 3 3H GLY 1 HT3 GLY 1 -5.832 -21.337 -12.503 4 1HA GLY 1 HA1 GLY 1 -6.826 -21.549 -10.425 5 2HA GLY 1 HA2 GLY 1 -5.295 -21.967 -9.670 6 HA PRO 2 HA PRO 2 -4.501 -17.841 -8.375 7 1HB PRO 2 HB2 PRO 2 -1.978 -17.792 -9.943 8 2HB PRO 2 HB1 PRO 2 -2.236 -17.520 -8.216 9 1HG PRO 2 HG2 PRO 2 -1.151 -19.792 -9.091 10 2HG PRO 2 HG1 PRO 2 -2.291 -19.787 -7.732 11 1HD PRO 2 HD2 PRO 2 -2.737 -20.576 -10.581 12 2HD PRO 2 HD1 PRO 2 -3.377 -21.307 -9.093 13 H VAL 3 HN VAL 3 -5.225 -15.919 -9.049 14 HA VAL 3 HA VAL 3 -4.974 -15.247 -11.909 15 HB VAL 3 HB VAL 3 -7.335 -14.460 -10.208 16 1HG1 VAL 3 HG11 VAL 3 -8.381 -14.042 -12.399 17 2HG1 VAL 3 HG12 VAL 3 -6.863 -14.470 -13.187 18 3HG1 VAL 3 HG13 VAL 3 -6.944 -13.054 -12.140 19 1HG2 VAL 3 HG21 VAL 3 -6.926 -16.899 -11.909 20 2HG2 VAL 3 HG22 VAL 3 -8.534 -16.241 -11.603 21 3HG2 VAL 3 HG23 VAL 3 -7.535 -16.792 -10.257 22 H ASN 4 HN ASN 4 -5.982 -13.698 -8.854 23 HA ASN 4 HA ASN 4 -4.161 -11.475 -9.497 24 1HB ASN 4 HB2 ASN 4 -6.788 -11.149 -9.590 25 2HB ASN 4 HB1 ASN 4 -6.605 -10.999 -7.843 26 1HD2 ASN 4 HD21 ASN 4 -5.867 -9.142 -7.012 27 2HD2 ASN 4 HD22 ASN 4 -5.352 -7.781 -7.943 28 HA PRO 5 HA PRO 5 -2.159 -12.304 -5.636 29 1HB PRO 5 HB2 PRO 5 -1.812 -9.365 -5.429 30 2HB PRO 5 HB1 PRO 5 -0.596 -10.646 -5.416 31 1HG PRO 5 HG2 PRO 5 -0.909 -9.078 -7.550 32 2HG PRO 5 HG1 PRO 5 -0.547 -10.806 -7.727 33 1HD PRO 5 HD2 PRO 5 -3.151 -9.370 -8.055 34 2HD PRO 5 HD1 PRO 5 -2.473 -10.706 -9.007 35 H ALA 6 HN ALA 6 -4.476 -9.634 -5.805 36 HA ALA 6 HA ALA 6 -4.885 -9.402 -3.010 37 1HB ALA 6 HB1 ALA 6 -7.180 -8.418 -4.032 38 2HB ALA 6 HB2 ALA 6 -6.136 -8.330 -5.451 39 3HB ALA 6 HB3 ALA 6 -5.668 -7.513 -3.959 40 H GLU 7 HN GLU 7 -6.470 -11.285 -5.540 41 HA GLU 7 HA GLU 7 -8.608 -12.214 -3.919 42 1HB GLU 7 HB2 GLU 7 -7.418 -13.177 -6.513 43 2HB GLU 7 HB1 GLU 7 -8.762 -14.006 -5.740 44 1HG GLU 7 HG2 GLU 7 -10.095 -11.962 -5.867 45 2HG GLU 7 HG1 GLU 7 -8.749 -11.137 -6.649 46 H ASN 8 HN ASN 8 -5.541 -13.706 -4.936 47 HA ASN 8 HA ASN 8 -5.858 -16.150 -3.627 48 1HB ASN 8 HB2 ASN 8 -3.976 -15.153 -5.263 49 2HB ASN 8 HB1 ASN 8 -3.125 -14.993 -3.729 50 1HD2 ASN 8 HD21 ASN 8 -2.587 -16.839 -2.564 51 2HD2 ASN 8 HD22 ASN 8 -2.590 -18.409 -3.283 52 H PHE 9 HN PHE 9 -4.743 -13.042 -2.442 53 HA PHE 9 HA PHE 9 -3.820 -14.029 0.078 54 1HB PHE 9 HB2 PHE 9 -2.808 -12.016 -0.451 55 2HB PHE 9 HB1 PHE 9 -4.280 -11.333 -1.132 56 HD1 PHE 9 HD1 PHE 9 -5.446 -9.757 0.075 57 HD2 PHE 9 HD2 PHE 9 -2.848 -12.427 2.129 58 HE1 PHE 9 HE1 PHE 9 -5.846 -8.529 2.169 59 HE2 PHE 9 HE2 PHE 9 -3.244 -11.205 4.228 60 HZ PHE 9 HZ PHE 9 -4.744 -9.253 4.249 61 H ARG 10 HN ARG 10 -6.748 -12.363 -1.022 62 HA ARG 10 HA ARG 10 -8.041 -12.137 1.436 63 1HB ARG 10 HB2 ARG 10 -8.924 -12.184 -1.409 64 2HB ARG 10 HB1 ARG 10 -10.154 -12.350 -0.163 65 1HG ARG 10 HG2 ARG 10 -9.289 -10.246 0.863 66 2HG ARG 10 HG1 ARG 10 -8.239 -10.062 -0.543 67 1HD ARG 10 HD2 ARG 10 -10.326 -10.212 -1.961 68 2HD ARG 10 HD1 ARG 10 -11.248 -10.063 -0.463 69 HE ARG 10 HE ARG 10 -9.281 -7.999 -1.148 70 1HH1 ARG 10 HH11 ARG 10 -12.592 -8.974 -0.670 71 2HH1 ARG 10 HH12 ARG 10 -13.200 -7.352 -0.637 72 1HH2 ARG 10 HH21 ARG 10 -10.072 -5.861 -1.105 73 2HH2 ARG 10 HH22 ARG 10 -11.767 -5.583 -0.885 74 H VAL 11 HN VAL 11 -7.996 -14.821 -0.875 75 HA VAL 11 HA VAL 11 -9.940 -16.356 0.575 76 HB VAL 11 HB VAL 11 -9.218 -18.243 -0.902 77 1HG1 VAL 11 HG11 VAL 11 -11.070 -16.939 -1.599 78 2HG1 VAL 11 HG12 VAL 11 -10.037 -17.146 -3.013 79 3HG1 VAL 11 HG13 VAL 11 -10.028 -15.619 -2.129 80 1HG2 VAL 11 HG21 VAL 11 -7.199 -16.207 -1.707 81 2HG2 VAL 11 HG22 VAL 11 -7.821 -17.320 -2.925 82 3HG2 VAL 11 HG23 VAL 11 -7.020 -17.948 -1.485 83 H LEU 12 HN LEU 12 -6.409 -16.405 0.308 84 HA LEU 12 HA LEU 12 -5.884 -18.695 1.790 85 1HB LEU 12 HB2 LEU 12 -4.285 -17.168 0.476 86 2HB LEU 12 HB1 LEU 12 -4.183 -16.222 1.951 87 HG LEU 12 HG LEU 12 -3.629 -18.683 2.928 88 1HD1 LEU 12 HD11 LEU 12 -2.362 -18.633 0.197 89 2HD1 LEU 12 HD12 LEU 12 -3.746 -19.638 0.630 90 3HD1 LEU 12 HD13 LEU 12 -2.195 -19.878 1.434 91 1HD2 LEU 12 HD21 LEU 12 -1.281 -17.995 2.875 92 2HD2 LEU 12 HD22 LEU 12 -2.340 -16.654 3.311 93 3HD2 LEU 12 HD23 LEU 12 -1.672 -16.757 1.683 94 H VAL 13 HN VAL 13 -6.684 -15.454 2.844 95 HA VAL 13 HA VAL 13 -6.262 -16.180 5.649 96 HB VAL 13 HB VAL 13 -6.719 -13.816 6.150 97 1HG1 VAL 13 HG11 VAL 13 -4.707 -12.878 5.105 98 2HG1 VAL 13 HG12 VAL 13 -4.661 -14.241 3.987 99 3HG1 VAL 13 HG13 VAL 13 -4.433 -14.511 5.715 100 1HG2 VAL 13 HG21 VAL 13 -6.624 -12.364 3.919 101 2HG2 VAL 13 HG22 VAL 13 -8.144 -12.898 4.637 102 3HG2 VAL 13 HG23 VAL 13 -7.451 -13.785 3.279 103 H LYS 14 HN LYS 14 -8.728 -16.101 3.347 104 HA LYS 14 HA LYS 14 -10.936 -15.326 4.916 105 1HB LYS 14 HB2 LYS 14 -10.496 -16.157 2.272 106 2HB LYS 14 HB1 LYS 14 -11.655 -17.298 2.939 107 1HG LYS 14 HG2 LYS 14 -12.924 -15.214 3.749 108 2HG LYS 14 HG1 LYS 14 -11.915 -14.337 2.597 109 1HD LYS 14 HD2 LYS 14 -12.688 -16.052 0.873 110 2HD LYS 14 HD1 LYS 14 -13.914 -16.517 2.055 111 1HE LYS 14 HE2 LYS 14 -13.533 -13.689 1.095 112 2HE LYS 14 HE1 LYS 14 -14.636 -14.828 0.324 113 1HZ LYS 14 HZ1 LYS 14 -15.970 -14.925 2.223 114 2HZ LYS 14 HZ2 LYS 14 -15.602 -13.282 2.061 115 3HZ LYS 14 HZ3 LYS 14 -14.794 -14.220 3.214 116 H GLN 15 HN GLN 15 -9.369 -18.459 4.438 117 HA GLN 15 HA GLN 15 -11.403 -19.744 6.097 118 1HB GLN 15 HB2 GLN 15 -9.877 -21.800 5.567 119 2HB GLN 15 HB1 GLN 15 -10.943 -21.150 4.325 120 1HG GLN 15 HG2 GLN 15 -9.042 -19.879 3.400 121 2HG GLN 15 HG1 GLN 15 -7.992 -20.620 4.609 122 1HE2 GLN 15 HE21 GLN 15 -9.070 -20.825 1.500 123 2HE2 GLN 15 HE22 GLN 15 -8.688 -22.478 1.174 124 H LYS 16 HN LYS 16 -7.872 -19.388 6.017 125 HA LYS 16 HA LYS 16 -6.934 -18.555 8.220 126 1HB LYS 16 HB2 LYS 16 -7.042 -20.037 10.105 127 2HB LYS 16 HB1 LYS 16 -8.684 -19.727 9.572 128 1HG LYS 16 HG2 LYS 16 -9.063 -21.894 9.272 129 2HG LYS 16 HG1 LYS 16 -7.620 -22.065 8.269 130 1HD LYS 16 HD2 LYS 16 -6.349 -22.810 9.992 131 2HD LYS 16 HD1 LYS 16 -7.168 -21.788 11.175 132 1HE LYS 16 HE2 LYS 16 -9.003 -23.738 10.170 133 2HE LYS 16 HE1 LYS 16 -7.529 -24.546 10.704 134 1HZ LYS 16 HZ1 LYS 16 -9.434 -22.940 12.269 135 2HZ LYS 16 HZ2 LYS 16 -7.825 -23.053 12.778 136 3HZ LYS 16 HZ3 LYS 16 -8.763 -24.453 12.624 137 H LYS 17 HN LYS 17 -6.273 -19.855 5.676 138 HA LYS 17 HA LYS 17 -4.683 -22.096 5.943 139 1HB LYS 17 HB2 LYS 17 -5.294 -20.291 3.907 140 2HB LYS 17 HB1 LYS 17 -3.543 -20.217 4.050 141 1HG LYS 17 HG2 LYS 17 -3.253 -22.305 3.256 142 2HG LYS 17 HG1 LYS 17 -4.717 -22.919 4.027 143 1HD LYS 17 HD2 LYS 17 -6.096 -21.981 2.315 144 2HD LYS 17 HD1 LYS 17 -4.730 -21.107 1.619 145 1HE LYS 17 HE2 LYS 17 -4.077 -23.880 1.763 146 2HE LYS 17 HE1 LYS 17 -5.656 -23.708 0.996 147 1HZ LYS 17 HZ1 LYS 17 -4.779 -22.468 -0.725 148 2HZ LYS 17 HZ2 LYS 17 -3.547 -23.594 -0.448 149 3HZ LYS 17 HZ3 LYS 17 -3.399 -22.016 0.143 150 H ALA 18 HN ALA 18 -3.126 -18.998 5.278 151 HA ALA 18 HA ALA 18 -0.826 -19.783 6.831 152 1HB ALA 18 HB1 ALA 18 0.115 -17.615 6.066 153 2HB ALA 18 HB2 ALA 18 -1.418 -17.281 5.260 154 3HB ALA 18 HB3 ALA 18 -0.435 -18.654 4.751 155 H SER 19 HN SER 19 -2.409 -16.617 6.817 156 HA SER 19 HA SER 19 -3.489 -16.380 9.274 157 1HB SER 19 HB2 SER 19 -1.650 -17.019 10.560 158 2HB SER 19 HB1 SER 19 -0.495 -16.250 9.468 159 HG SER 19 HG SER 19 -2.331 -14.877 11.144 160 H PHE 20 HN PHE 20 -0.714 -14.568 8.010 161 HA PHE 20 HA PHE 20 -2.056 -12.590 6.627 162 1HB PHE 20 HB2 PHE 20 -2.917 -12.205 9.076 163 2HB PHE 20 HB1 PHE 20 -1.347 -11.444 9.306 164 HD1 PHE 20 HD1 PHE 20 -0.738 -9.448 7.983 165 HD2 PHE 20 HD2 PHE 20 -4.642 -11.138 7.843 166 HE1 PHE 20 HE1 PHE 20 -1.601 -7.363 7.001 167 HE2 PHE 20 HE2 PHE 20 -5.512 -9.056 6.861 168 HZ PHE 20 HZ PHE 20 -3.990 -7.166 6.438 169 H GLU 21 HN GLU 21 0.520 -12.839 9.074 170 HA GLU 21 HA GLU 21 2.313 -11.026 8.085 171 1HB GLU 21 HB2 GLU 21 2.335 -12.925 10.066 172 2HB GLU 21 HB1 GLU 21 3.596 -13.500 8.983 173 1HG GLU 21 HG2 GLU 21 4.722 -11.351 9.127 174 2HG GLU 21 HG1 GLU 21 3.444 -10.742 10.178 175 H GLU 22 HN GLU 22 2.407 -14.527 7.319 176 HA GLU 22 HA GLU 22 4.434 -14.417 5.435 177 1HB GLU 22 HB2 GLU 22 2.437 -16.326 6.282 178 2HB GLU 22 HB1 GLU 22 2.683 -16.415 4.542 179 1HG GLU 22 HG2 GLU 22 5.109 -16.659 4.937 180 2HG GLU 22 HG1 GLU 22 4.792 -16.681 6.671 181 H ALA 23 HN ALA 23 0.920 -14.260 4.866 182 HA ALA 23 HA ALA 23 1.075 -13.979 2.069 183 1HB ALA 23 HB1 ALA 23 -0.946 -14.449 3.711 184 2HB ALA 23 HB2 ALA 23 -1.192 -13.742 2.115 185 3HB ALA 23 HB3 ALA 23 -1.168 -12.707 3.543 186 H SER 24 HN SER 24 1.292 -11.676 4.687 187 HA SER 24 HA SER 24 0.939 -9.328 3.137 188 1HB SER 24 HB2 SER 24 1.945 -9.944 5.879 189 2HB SER 24 HB1 SER 24 2.336 -8.369 5.190 190 HG SER 24 HG SER 24 -0.288 -9.437 5.327 191 H ASN 25 HN ASN 25 3.859 -10.866 4.473 192 HA ASN 25 HA ASN 25 5.758 -9.213 3.329 193 1HB ASN 25 HB2 ASN 25 5.751 -12.055 4.238 194 2HB ASN 25 HB1 ASN 25 7.130 -11.493 3.298 195 1HD2 ASN 25 HD21 ASN 25 5.370 -11.195 6.273 196 2HD2 ASN 25 HD22 ASN 25 6.572 -10.301 7.133 197 H GLN 26 HN GLN 26 4.239 -12.124 1.982 198 HA GLN 26 HA GLN 26 5.674 -12.193 -0.427 199 1HB GLN 26 HB2 GLN 26 3.078 -13.303 0.522 200 2HB GLN 26 HB1 GLN 26 3.385 -13.307 -1.209 201 1HG GLN 26 HG2 GLN 26 5.437 -14.570 -0.850 202 2HG GLN 26 HG1 GLN 26 5.147 -14.553 0.891 203 1HE2 GLN 26 HE21 GLN 26 4.808 -16.318 -1.877 204 2HE2 GLN 26 HE22 GLN 26 3.580 -17.419 -1.363 205 H LEU 27 HN LEU 27 2.556 -10.681 0.355 206 HA LEU 27 HA LEU 27 1.954 -9.680 -2.170 207 1HB LEU 27 HB2 LEU 27 0.944 -9.413 0.471 208 2HB LEU 27 HB1 LEU 27 1.116 -7.797 -0.193 209 HG LEU 27 HG LEU 27 -0.390 -10.028 -1.558 210 1HD1 LEU 27 HD11 LEU 27 -1.141 -8.563 0.717 211 2HD1 LEU 27 HD12 LEU 27 -2.154 -9.601 -0.287 212 3HD1 LEU 27 HD13 LEU 27 -2.038 -7.876 -0.638 213 1HD2 LEU 27 HD21 LEU 27 0.403 -8.384 -3.121 214 2HD2 LEU 27 HD22 LEU 27 -0.177 -7.070 -2.096 215 3HD2 LEU 27 HD23 LEU 27 -1.329 -8.151 -2.880 216 H ILE 28 HN ILE 28 3.773 -8.138 0.484 217 HA ILE 28 HA ILE 28 4.245 -5.715 -0.872 218 HB ILE 28 HB ILE 28 4.691 -6.593 1.673 219 1HG1 ILE 28 HG12 ILE 28 5.977 -4.340 1.875 220 2HG1 ILE 28 HG11 ILE 28 5.609 -4.169 0.159 221 1HG2 ILE 28 HG21 ILE 28 7.441 -6.111 0.553 222 2HG2 ILE 28 HG22 ILE 28 6.790 -7.719 0.871 223 3HG2 ILE 28 HG23 ILE 28 7.003 -6.576 2.197 224 1HD1 ILE 28 HD11 ILE 28 3.206 -4.898 1.404 225 2HD1 ILE 28 HD12 ILE 28 3.646 -3.331 0.723 226 3HD1 ILE 28 HD13 ILE 28 3.947 -3.669 2.428 227 H ASN 29 HN ASN 29 5.955 -8.787 -0.822 228 HA ASN 29 HA ASN 29 8.320 -7.912 -2.091 229 1HB ASN 29 HB2 ASN 29 7.416 -10.298 -1.016 230 2HB ASN 29 HB1 ASN 29 7.529 -10.652 -2.738 231 1HD2 ASN 29 HD21 ASN 29 9.435 -11.231 -3.493 232 2HD2 ASN 29 HD22 ASN 29 10.953 -10.994 -2.702 233 H HIS 30 HN HIS 30 5.312 -9.320 -3.323 234 HA HIS 30 HA HIS 30 6.002 -9.416 -6.031 235 1HB HIS 30 HB2 HIS 30 3.530 -9.536 -4.451 236 2HB HIS 30 HB1 HIS 30 3.303 -8.871 -6.067 237 HD1 HIS 30 HD1 HIS 30 4.009 -10.461 -8.081 238 HD2 HIS 30 HD2 HIS 30 3.848 -12.259 -4.339 239 HE1 HIS 30 HE1 HIS 30 3.976 -12.935 -8.526 240 HE2 HIS 30 HE2 HIS 30 3.965 -14.004 -6.245 241 H ILE 31 HN ILE 31 4.470 -6.859 -4.113 242 HA ILE 31 HA ILE 31 4.043 -5.011 -6.163 243 HB ILE 31 HB ILE 31 4.684 -4.518 -3.250 244 1HG1 ILE 31 HG12 ILE 31 2.033 -4.366 -4.697 245 2HG1 ILE 31 HG11 ILE 31 2.589 -5.800 -3.835 246 1HG2 ILE 31 HG21 ILE 31 3.650 -2.271 -3.659 247 2HG2 ILE 31 HG22 ILE 31 3.757 -2.609 -5.388 248 3HG2 ILE 31 HG23 ILE 31 5.226 -2.511 -4.415 249 1HD1 ILE 31 HD11 ILE 31 1.580 -3.227 -2.794 250 2HD1 ILE 31 HD12 ILE 31 2.872 -4.010 -1.884 251 3HD1 ILE 31 HD13 ILE 31 1.361 -4.868 -2.186 252 H GLU 32 HN GLU 32 6.833 -5.365 -3.980 253 HA GLU 32 HA GLU 32 8.420 -3.322 -4.947 254 1HB GLU 32 HB2 GLU 32 9.124 -6.017 -3.799 255 2HB GLU 32 HB1 GLU 32 10.361 -4.849 -4.244 256 1HG GLU 32 HG2 GLU 32 9.510 -3.260 -2.660 257 2HG GLU 32 HG1 GLU 32 8.136 -4.304 -2.295 258 H GLN 33 HN GLN 33 8.180 -6.666 -6.110 259 HA GLN 33 HA GLN 33 10.138 -6.520 -8.102 260 1HB GLN 33 HB2 GLN 33 7.685 -8.213 -7.733 261 2HB GLN 33 HB1 GLN 33 8.634 -8.340 -9.208 262 1HG GLN 33 HG2 GLN 33 10.606 -8.919 -7.903 263 2HG GLN 33 HG1 GLN 33 9.672 -8.769 -6.415 264 1HE2 GLN 33 HE21 GLN 33 8.599 -10.487 -5.690 265 2HE2 GLN 33 HE22 GLN 33 8.396 -11.973 -6.548 266 H PHE 34 HN PHE 34 6.655 -5.877 -8.238 267 HA PHE 34 HA PHE 34 6.411 -5.287 -10.934 268 1HB PHE 34 HB2 PHE 34 4.929 -4.462 -8.478 269 2HB PHE 34 HB1 PHE 34 4.595 -3.594 -9.973 270 HD1 PHE 34 HD1 PHE 34 4.071 -5.086 -12.048 271 HD2 PHE 34 HD2 PHE 34 3.771 -6.396 -8.010 272 HE1 PHE 34 HE1 PHE 34 2.541 -6.880 -12.749 273 HE2 PHE 34 HE2 PHE 34 2.241 -8.194 -8.704 274 HZ PHE 34 HZ PHE 34 1.623 -8.437 -11.075 275 H LEU 35 HN LEU 35 7.720 -3.365 -8.324 276 HA LEU 35 HA LEU 35 7.838 -0.938 -9.885 277 1HB LEU 35 HB2 LEU 35 9.067 -1.654 -7.221 278 2HB LEU 35 HB1 LEU 35 9.104 -0.055 -7.944 279 HG LEU 35 HG LEU 35 6.407 -1.190 -7.669 280 1HD1 LEU 35 HD11 LEU 35 6.433 -0.514 -5.193 281 2HD1 LEU 35 HD12 LEU 35 8.178 -0.750 -5.291 282 3HD1 LEU 35 HD13 LEU 35 7.085 -2.092 -5.631 283 1HD2 LEU 35 HD21 LEU 35 7.414 1.408 -6.576 284 2HD2 LEU 35 HD22 LEU 35 5.823 1.009 -7.225 285 3HD2 LEU 35 HD23 LEU 35 7.199 1.188 -8.314 286 H ASP 36 HN ASP 36 9.775 -3.716 -9.423 287 HA ASP 36 HA ASP 36 12.312 -2.541 -10.019 288 1HB ASP 36 HB2 ASP 36 11.850 -4.762 -8.807 289 2HB ASP 36 HB1 ASP 36 11.617 -5.446 -10.413 290 H THR 37 HN THR 37 9.653 -2.888 -11.895 291 HA THR 37 HA THR 37 11.252 -2.890 -14.343 292 HB THR 37 HB THR 37 9.001 -4.081 -15.258 293 HG1 THR 37 HG1 THR 37 9.498 -5.439 -12.817 294 1HG2 THR 37 HG21 THR 37 11.304 -5.646 -14.100 295 2HG2 THR 37 HG22 THR 37 11.405 -4.728 -15.601 296 3HG2 THR 37 HG23 THR 37 10.286 -6.084 -15.471 297 H ASN 38 HN ASN 38 10.756 -1.272 -15.637 298 HA ASN 38 HA ASN 38 8.704 0.601 -14.898 299 1HB ASN 38 HB2 ASN 38 11.093 0.960 -16.035 300 2HB ASN 38 HB1 ASN 38 10.128 0.841 -17.506 301 1HD2 ASN 38 HD21 ASN 38 9.894 2.386 -14.315 302 2HD2 ASN 38 HD22 ASN 38 9.377 3.923 -14.911 303 H GLU 39 HN GLU 39 6.647 0.445 -15.502 304 HA GLU 39 HA GLU 39 5.865 -0.122 -18.178 305 1HB GLU 39 HB2 GLU 39 5.927 -2.316 -16.232 306 2HB GLU 39 HB1 GLU 39 4.367 -2.112 -17.016 307 1HG GLU 39 HG2 GLU 39 7.014 -2.530 -18.386 308 2HG GLU 39 HG1 GLU 39 5.720 -3.712 -18.213 309 H THR 40 HN THR 40 3.609 0.213 -18.527 310 HA THR 40 HA THR 40 2.442 2.003 -16.591 311 HB THR 40 HB THR 40 1.095 1.072 -19.119 312 HG1 THR 40 HG1 THR 40 2.808 1.907 -20.074 313 1HG2 THR 40 HG21 THR 40 0.963 3.626 -17.512 314 2HG2 THR 40 HG22 THR 40 -0.282 2.380 -17.609 315 3HG2 THR 40 HG23 THR 40 0.117 3.340 -19.033 316 HA PRO 41 HA PRO 41 -0.962 -1.431 -16.479 317 1HB PRO 41 HB2 PRO 41 0.316 -3.857 -17.495 318 2HB PRO 41 HB1 PRO 41 -1.213 -3.115 -17.977 319 1HG PRO 41 HG2 PRO 41 0.957 -3.132 -19.586 320 2HG PRO 41 HG1 PRO 41 -0.222 -1.808 -19.591 321 1HD PRO 41 HD2 PRO 41 2.470 -1.945 -18.280 322 2HD PRO 41 HD1 PRO 41 1.719 -0.606 -19.173 323 H TYR 42 HN TYR 42 2.311 -1.715 -15.662 324 HA TYR 42 HA TYR 42 1.978 -3.869 -13.760 325 1HB TYR 42 HB2 TYR 42 4.256 -2.171 -14.678 326 2HB TYR 42 HB1 TYR 42 4.386 -2.983 -13.121 327 HD1 TYR 42 HD1 TYR 42 2.855 -4.139 -16.326 328 HD2 TYR 42 HD2 TYR 42 5.906 -4.712 -13.415 329 HE1 TYR 42 HE1 TYR 42 3.546 -6.205 -17.465 330 HE2 TYR 42 HE2 TYR 42 6.605 -6.780 -14.548 331 HH TYR 42 HH TYR 42 6.290 -7.602 -17.239 332 H PHE 43 HN PHE 43 2.458 -0.355 -13.664 333 HA PHE 43 HA PHE 43 2.555 -0.117 -10.858 334 1HB PHE 43 HB2 PHE 43 2.143 1.736 -13.141 335 2HB PHE 43 HB1 PHE 43 1.593 2.292 -11.563 336 HD1 PHE 43 HD1 PHE 43 3.369 1.878 -9.620 337 HD2 PHE 43 HD2 PHE 43 4.289 2.251 -13.758 338 HE1 PHE 43 HE1 PHE 43 5.670 2.534 -9.046 339 HE2 PHE 43 HE2 PHE 43 6.591 2.907 -13.191 340 HZ PHE 43 HZ PHE 43 7.284 3.049 -10.831 341 H MET 44 HN MET 44 -0.084 -0.398 -13.111 342 HA MET 44 HA MET 44 -2.155 0.535 -11.426 343 1HB MET 44 HB2 MET 44 -2.161 -1.343 -13.789 344 2HB MET 44 HB1 MET 44 -3.630 -0.837 -12.967 345 1HG MET 44 HG2 MET 44 -3.070 1.509 -13.482 346 2HG MET 44 HG1 MET 44 -1.665 0.946 -14.384 347 1HE MET 44 HE1 MET 44 -2.567 2.325 -16.555 348 2HE MET 44 HE2 MET 44 -3.903 2.863 -15.536 349 3HE MET 44 HE3 MET 44 -4.228 2.180 -17.130 350 H LYS 45 HN LYS 45 -0.536 -2.536 -11.788 351 HA LYS 45 HA LYS 45 -2.409 -4.024 -10.208 352 1HB LYS 45 HB2 LYS 45 -0.467 -4.734 -11.969 353 2HB LYS 45 HB1 LYS 45 0.358 -5.033 -10.443 354 1HG LYS 45 HG2 LYS 45 -0.773 -6.911 -10.121 355 2HG LYS 45 HG1 LYS 45 -2.317 -6.096 -10.380 356 1HD LYS 45 HD2 LYS 45 -1.765 -6.237 -12.874 357 2HD LYS 45 HD1 LYS 45 -0.517 -7.393 -12.407 358 1HE LYS 45 HE2 LYS 45 -3.446 -7.653 -11.739 359 2HE LYS 45 HE1 LYS 45 -2.645 -8.465 -13.083 360 1HZ LYS 45 HZ1 LYS 45 -2.013 -8.822 -10.203 361 2HZ LYS 45 HZ2 LYS 45 -1.198 -9.575 -11.479 362 3HZ LYS 45 HZ3 LYS 45 -2.825 -9.931 -11.190 363 H SER 46 HN SER 46 0.399 -2.073 -9.590 364 HA SER 46 HA SER 46 1.028 -3.112 -7.021 365 1HB SER 46 HB2 SER 46 1.588 -0.257 -7.713 366 2HB SER 46 HB1 SER 46 2.620 -1.438 -6.904 367 HG SER 46 HG SER 46 2.830 -2.485 -8.960 368 H ILE 47 HN ILE 47 -0.723 -0.194 -8.077 369 HA ILE 47 HA ILE 47 -1.558 0.650 -5.548 370 HB ILE 47 HB ILE 47 -3.131 0.998 -8.102 371 1HG1 ILE 47 HG12 ILE 47 -1.134 3.000 -7.113 372 2HG1 ILE 47 HG11 ILE 47 -0.577 1.625 -8.061 373 1HG2 ILE 47 HG21 ILE 47 -2.979 2.606 -5.557 374 2HG2 ILE 47 HG22 ILE 47 -4.358 1.679 -6.151 375 3HG2 ILE 47 HG23 ILE 47 -3.824 3.120 -7.018 376 1HD1 ILE 47 HD11 ILE 47 -0.885 3.304 -9.628 377 2HD1 ILE 47 HD12 ILE 47 -2.379 3.865 -8.877 378 3HD1 ILE 47 HD13 ILE 47 -2.355 2.340 -9.761 379 H ASP 48 HN ASP 48 -3.052 -1.562 -7.873 380 HA ASP 48 HA ASP 48 -5.461 -1.991 -6.492 381 1HB ASP 48 HB2 ASP 48 -3.943 -3.388 -8.619 382 2HB ASP 48 HB1 ASP 48 -5.085 -4.380 -7.714 383 H CYS 49 HN CYS 49 -2.251 -3.084 -5.950 384 HA CYS 49 HA CYS 49 -3.009 -5.244 -4.179 385 1HB CYS 49 HB2 CYS 49 -0.454 -4.154 -5.255 386 2HB CYS 49 HB1 CYS 49 -0.387 -5.019 -3.721 387 HG CYS 49 HG CYS 49 -1.764 -6.373 -6.544 388 H ILE 50 HN ILE 50 -1.428 -2.051 -3.883 389 HA ILE 50 HA ILE 50 -1.155 -2.077 -1.096 390 HB ILE 50 HB ILE 50 -0.150 -0.441 -2.826 391 1HG1 ILE 50 HG12 ILE 50 -1.216 0.845 -0.310 392 2HG1 ILE 50 HG11 ILE 50 0.043 -0.390 -0.277 393 1HG2 ILE 50 HG21 ILE 50 -2.195 1.537 -2.163 394 2HG2 ILE 50 HG22 ILE 50 -2.763 0.252 -3.227 395 3HG2 ILE 50 HG23 ILE 50 -1.366 1.224 -3.689 396 1HD1 ILE 50 HD11 ILE 50 0.902 1.924 -0.180 397 2HD1 ILE 50 HD12 ILE 50 0.246 2.197 -1.794 398 3HD1 ILE 50 HD13 ILE 50 1.518 1.000 -1.550 399 H ARG 51 HN ARG 51 -3.884 -1.590 -3.129 400 HA ARG 51 HA ARG 51 -5.494 -0.188 -1.211 401 1HB ARG 51 HB2 ARG 51 -6.033 -1.526 -3.848 402 2HB ARG 51 HB1 ARG 51 -7.365 -0.992 -2.832 403 1HG ARG 51 HG2 ARG 51 -5.570 1.163 -2.982 404 2HG ARG 51 HG1 ARG 51 -5.734 0.525 -4.619 405 1HD ARG 51 HD2 ARG 51 -8.221 0.832 -3.045 406 2HD ARG 51 HD1 ARG 51 -7.426 2.315 -3.570 407 HE ARG 51 HE ARG 51 -8.820 0.420 -5.215 408 1HH1 ARG 51 HH11 ARG 51 -6.360 2.888 -5.160 409 2HH1 ARG 51 HH12 ARG 51 -6.512 3.257 -6.846 410 1HH2 ARG 51 HH21 ARG 51 -9.025 0.899 -7.435 411 2HH2 ARG 51 HH22 ARG 51 -8.027 2.127 -8.138 412 H ALA 52 HN ALA 52 -5.549 -3.497 -2.529 413 HA ALA 52 HA ALA 52 -7.472 -4.512 -0.757 414 1HB ALA 52 HB1 ALA 52 -6.742 -6.705 -1.445 415 2HB ALA 52 HB2 ALA 52 -5.221 -6.049 -2.050 416 3HB ALA 52 HB3 ALA 52 -6.740 -5.630 -2.842 417 H PHE 53 HN PHE 53 -4.043 -4.017 -0.421 418 HA PHE 53 HA PHE 53 -3.686 -5.619 1.905 419 1HB PHE 53 HB2 PHE 53 -1.898 -4.817 0.250 420 2HB PHE 53 HB1 PHE 53 -1.949 -3.286 1.121 421 HD1 PHE 53 HD1 PHE 53 -1.407 -3.282 3.583 422 HD2 PHE 53 HD2 PHE 53 -0.668 -6.630 1.063 423 HE1 PHE 53 HE1 PHE 53 0.183 -4.171 5.237 424 HE2 PHE 53 HE2 PHE 53 0.922 -7.525 2.712 425 HZ PHE 53 HZ PHE 53 1.349 -6.296 4.803 426 H ARG 54 HN ARG 54 -3.756 -2.070 1.478 427 HA ARG 54 HA ARG 54 -3.722 -1.451 4.205 428 1HB ARG 54 HB2 ARG 54 -4.397 0.774 3.584 429 2HB ARG 54 HB1 ARG 54 -3.250 0.167 2.397 430 1HG ARG 54 HG2 ARG 54 -4.679 0.596 0.783 431 2HG ARG 54 HG1 ARG 54 -5.862 -0.494 1.512 432 1HD ARG 54 HD2 ARG 54 -6.833 1.253 2.774 433 2HD ARG 54 HD1 ARG 54 -5.486 2.343 2.437 434 HE ARG 54 HE ARG 54 -6.352 2.073 0.006 435 1HH1 ARG 54 HH11 ARG 54 -8.298 2.233 2.893 436 2HH1 ARG 54 HH12 ARG 54 -9.662 2.933 2.088 437 1HH2 ARG 54 HH21 ARG 54 -8.144 2.993 -1.060 438 2HH2 ARG 54 HH22 ARG 54 -9.576 3.364 -0.158 439 H GLU 55 HN GLU 55 -6.378 -2.264 2.074 440 HA GLU 55 HA GLU 55 -8.467 -1.405 3.779 441 1HB GLU 55 HB2 GLU 55 -8.220 -3.063 1.352 442 2HB GLU 55 HB1 GLU 55 -9.602 -3.440 2.373 443 1HG GLU 55 HG2 GLU 55 -10.237 -1.039 2.292 444 2HG GLU 55 HG1 GLU 55 -8.934 -0.781 1.134 445 H GLU 56 HN GLU 56 -7.251 -4.688 3.128 446 HA GLU 56 HA GLU 56 -8.727 -5.901 5.212 447 1HB GLU 56 HB2 GLU 56 -6.317 -6.804 3.646 448 2HB GLU 56 HB1 GLU 56 -7.102 -7.817 4.853 449 1HG GLU 56 HG2 GLU 56 -9.032 -6.747 3.006 450 2HG GLU 56 HG1 GLU 56 -7.740 -7.588 2.152 451 H ALA 57 HN ALA 57 -5.701 -4.203 5.221 452 HA ALA 57 HA ALA 57 -4.831 -5.395 7.720 453 1HB ALA 57 HB1 ALA 57 -3.595 -3.129 6.165 454 2HB ALA 57 HB2 ALA 57 -3.201 -4.836 5.955 455 3HB ALA 57 HB3 ALA 57 -2.856 -4.033 7.488 456 H ILE 58 HN ILE 58 -5.417 -2.047 6.627 457 HA ILE 58 HA ILE 58 -5.367 -0.847 9.132 458 HB ILE 58 HB ILE 58 -6.999 -0.007 6.736 459 1HG1 ILE 58 HG12 ILE 58 -4.554 -0.242 6.323 460 2HG1 ILE 58 HG11 ILE 58 -5.126 1.416 6.165 461 1HG2 ILE 58 HG21 ILE 58 -6.803 2.270 7.778 462 2HG2 ILE 58 HG22 ILE 58 -6.232 1.470 9.242 463 3HG2 ILE 58 HG23 ILE 58 -7.853 1.138 8.631 464 1HD1 ILE 58 HD11 ILE 58 -4.264 0.931 8.853 465 2HD1 ILE 58 HD12 ILE 58 -3.672 2.106 7.678 466 3HD1 ILE 58 HD13 ILE 58 -3.000 0.476 7.711 467 H LYS 59 HN LYS 59 -8.084 -2.314 7.401 468 HA LYS 59 HA LYS 59 -10.172 -1.536 9.033 469 1HB LYS 59 HB2 LYS 59 -9.666 -3.876 7.275 470 2HB LYS 59 HB1 LYS 59 -10.996 -4.008 8.416 471 1HG LYS 59 HG2 LYS 59 -10.985 -1.484 6.964 472 2HG LYS 59 HG1 LYS 59 -11.129 -2.899 5.916 473 1HD LYS 59 HD2 LYS 59 -13.076 -3.647 7.041 474 2HD LYS 59 HD1 LYS 59 -12.835 -2.505 8.365 475 1HE LYS 59 HE2 LYS 59 -13.098 -0.672 6.618 476 2HE LYS 59 HE1 LYS 59 -13.690 -1.936 5.540 477 1HZ LYS 59 HZ1 LYS 59 -14.893 -0.977 8.066 478 2HZ LYS 59 HZ2 LYS 59 -15.335 -2.455 7.373 479 3HZ LYS 59 HZ3 LYS 59 -15.584 -1.015 6.522 480 H PHE 60 HN PHE 60 -8.015 -4.350 9.420 481 HA PHE 60 HA PHE 60 -8.107 -4.228 12.236 482 1HB PHE 60 HB2 PHE 60 -9.271 -6.630 12.343 483 2HB PHE 60 HB1 PHE 60 -10.185 -5.132 12.487 484 HD1 PHE 60 HD1 PHE 60 -9.039 -7.588 9.923 485 HD2 PHE 60 HD2 PHE 60 -12.014 -4.796 11.133 486 HE1 PHE 60 HE1 PHE 60 -10.442 -8.265 8.021 487 HE2 PHE 60 HE2 PHE 60 -13.423 -5.469 9.232 488 HZ PHE 60 HZ PHE 60 -12.638 -7.206 7.673 489 H SER 61 HN SER 61 -5.857 -4.400 11.771 490 HA SER 61 HA SER 61 -4.861 -7.020 12.056 491 1HB SER 61 HB2 SER 61 -5.441 -6.981 9.585 492 2HB SER 61 HB1 SER 61 -4.149 -5.797 9.394 493 HG SER 61 HG SER 61 -3.980 -8.504 10.157 494 H GLU 62 HN GLU 62 -2.989 -4.912 10.057 495 HA GLU 62 HA GLU 62 -1.526 -3.964 12.426 496 1HB GLU 62 HB2 GLU 62 -0.464 -5.376 10.005 497 2HB GLU 62 HB1 GLU 62 0.553 -4.227 10.867 498 1HG GLU 62 HG2 GLU 62 0.190 -5.532 12.939 499 2HG GLU 62 HG1 GLU 62 -0.706 -6.720 11.989 500 H GLU 63 HN GLU 63 -3.102 -2.165 11.734 501 HA GLU 63 HA GLU 63 -2.797 -0.610 9.493 502 1HB GLU 63 HB2 GLU 63 -3.499 1.320 10.963 503 2HB GLU 63 HB1 GLU 63 -4.547 -0.092 11.006 504 1HG GLU 63 HG2 GLU 63 -3.160 -0.775 13.071 505 2HG GLU 63 HG1 GLU 63 -2.655 0.917 13.088 506 H GLN 64 HN GLN 64 -0.726 -0.700 12.338 507 HA GLN 64 HA GLN 64 0.768 1.643 11.775 508 1HB GLN 64 HB2 GLN 64 0.640 0.220 13.947 509 2HB GLN 64 HB1 GLN 64 1.920 -0.734 13.209 510 1HG GLN 64 HG2 GLN 64 3.308 1.274 13.032 511 2HG GLN 64 HG1 GLN 64 2.029 2.217 13.795 512 1HE2 GLN 64 HE21 GLN 64 1.535 1.833 15.988 513 2HE2 GLN 64 HE22 GLN 64 2.686 1.101 17.048 514 H ARG 65 HN ARG 65 0.770 -1.474 10.374 515 HA ARG 65 HA ARG 65 3.475 -1.455 9.430 516 1HB ARG 65 HB2 ARG 65 2.361 -3.581 9.697 517 2HB ARG 65 HB1 ARG 65 1.064 -3.087 8.619 518 1HG ARG 65 HG2 ARG 65 2.672 -2.988 6.763 519 2HG ARG 65 HG1 ARG 65 3.937 -3.557 7.854 520 1HD ARG 65 HD2 ARG 65 1.856 -5.370 8.187 521 2HD ARG 65 HD1 ARG 65 1.891 -5.050 6.452 522 HE ARG 65 HE ARG 65 4.421 -5.542 6.790 523 1HH1 ARG 65 HH11 ARG 65 1.758 -7.128 8.383 524 2HH1 ARG 65 HH12 ARG 65 2.603 -8.627 8.582 525 1HH2 ARG 65 HH21 ARG 65 5.539 -7.511 7.046 526 2HH2 ARG 65 HH22 ARG 65 4.752 -8.845 7.822 527 H PHE 66 HN PHE 66 0.525 -0.019 8.462 528 HA PHE 66 HA PHE 66 1.353 0.349 5.704 529 1HB PHE 66 HB2 PHE 66 -1.085 -0.009 6.514 530 2HB PHE 66 HB1 PHE 66 -1.025 1.699 6.955 531 HD1 PHE 66 HD1 PHE 66 -2.050 3.056 5.420 532 HD2 PHE 66 HD2 PHE 66 0.109 -0.338 4.037 533 HE1 PHE 66 HE1 PHE 66 -2.561 3.683 3.095 534 HE2 PHE 66 HE2 PHE 66 -0.397 0.280 1.712 535 HZ PHE 66 HZ PHE 66 -1.733 2.295 1.238 536 H ASN 67 HN ASN 67 0.699 2.375 8.567 537 HA ASN 67 HA ASN 67 1.547 4.788 7.375 538 1HB ASN 67 HB2 ASN 67 2.055 5.347 9.919 539 2HB ASN 67 HB1 ASN 67 0.405 5.246 9.325 540 1HD2 ASN 67 HD21 ASN 67 -0.924 3.767 10.171 541 2HD2 ASN 67 HD22 ASN 67 -0.468 2.625 11.383 542 H ASN 68 HN ASN 68 3.173 2.034 8.444 543 HA ASN 68 HA ASN 68 5.724 3.270 8.977 544 1HB ASN 68 HB2 ASN 68 5.111 1.121 10.024 545 2HB ASN 68 HB1 ASN 68 5.046 0.367 8.435 546 1HD2 ASN 68 HD21 ASN 68 6.903 -0.257 7.450 547 2HD2 ASN 68 HD22 ASN 68 8.463 -0.156 8.187 548 H PHE 69 HN PHE 69 4.551 1.078 6.428 549 HA PHE 69 HA PHE 69 6.716 1.433 4.689 550 1HB PHE 69 HB2 PHE 69 4.694 -0.276 4.693 551 2HB PHE 69 HB1 PHE 69 3.998 0.896 3.575 552 HD1 PHE 69 HD1 PHE 69 4.786 1.092 1.349 553 HD2 PHE 69 HD2 PHE 69 6.809 -1.420 4.125 554 HE1 PHE 69 HE1 PHE 69 6.079 0.101 -0.496 555 HE2 PHE 69 HE2 PHE 69 8.105 -2.415 2.286 556 HZ PHE 69 HZ PHE 69 7.741 -1.654 -0.028 557 H LEU 70 HN LEU 70 3.767 3.279 5.096 558 HA LEU 70 HA LEU 70 3.931 4.792 2.713 559 1HB LEU 70 HB2 LEU 70 2.563 5.236 5.350 560 2HB LEU 70 HB1 LEU 70 2.549 6.482 4.116 561 HG LEU 70 HG LEU 70 1.277 3.753 4.020 562 1HD1 LEU 70 HD11 LEU 70 -0.191 6.129 3.150 563 2HD1 LEU 70 HD12 LEU 70 0.325 6.180 4.835 564 3HD1 LEU 70 HD13 LEU 70 -0.664 4.841 4.259 565 1HD2 LEU 70 HD21 LEU 70 1.756 5.656 1.730 566 2HD2 LEU 70 HD22 LEU 70 0.618 4.308 1.688 567 3HD2 LEU 70 HD23 LEU 70 2.345 4.001 1.881 568 H LYS 71 HN LYS 71 4.924 5.556 6.047 569 HA LYS 71 HA LYS 71 6.001 8.065 5.608 570 1HB LYS 71 HB2 LYS 71 6.288 5.967 7.635 571 2HB LYS 71 HB1 LYS 71 7.703 7.000 7.487 572 1HG LYS 71 HG2 LYS 71 6.164 8.970 7.726 573 2HG LYS 71 HG1 LYS 71 4.884 7.823 8.131 574 1HD LYS 71 HD2 LYS 71 6.494 6.946 9.919 575 2HD LYS 71 HD1 LYS 71 7.412 8.426 9.640 576 1HE LYS 71 HE2 LYS 71 4.529 8.821 10.020 577 2HE LYS 71 HE1 LYS 71 5.374 8.171 11.425 578 1HZ LYS 71 HZ1 LYS 71 6.268 10.587 9.955 579 2HZ LYS 71 HZ2 LYS 71 6.832 10.023 11.447 580 3HZ LYS 71 HZ3 LYS 71 5.264 10.642 11.316 581 H ALA 72 HN ALA 72 7.569 4.894 5.309 582 HA ALA 72 HA ALA 72 10.109 5.910 4.567 583 1HB ALA 72 HB1 ALA 72 9.901 3.671 5.435 584 2HB ALA 72 HB2 ALA 72 10.555 3.596 3.798 585 3HB ALA 72 HB3 ALA 72 8.859 3.207 4.089 586 H LEU 73 HN LEU 73 7.331 4.750 2.713 587 HA LEU 73 HA LEU 73 8.335 4.801 0.153 588 1HB LEU 73 HB2 LEU 73 6.083 4.019 0.724 589 2HB LEU 73 HB1 LEU 73 5.588 5.668 1.062 590 HG LEU 73 HG LEU 73 6.515 5.849 -1.523 591 1HD1 LEU 73 HD11 LEU 73 5.366 4.008 -2.718 592 2HD1 LEU 73 HD12 LEU 73 5.118 3.202 -1.169 593 3HD1 LEU 73 HD13 LEU 73 6.753 3.470 -1.771 594 1HD2 LEU 73 HD21 LEU 73 3.885 5.521 -1.929 595 2HD2 LEU 73 HD22 LEU 73 4.580 6.974 -1.211 596 3HD2 LEU 73 HD23 LEU 73 3.890 5.723 -0.177 597 H GLN 74 HN GLN 74 7.067 7.479 2.062 598 HA GLN 74 HA GLN 74 7.292 9.463 0.065 599 1HB GLN 74 HB2 GLN 74 6.108 9.506 2.405 600 2HB GLN 74 HB1 GLN 74 7.661 10.110 2.967 601 1HG GLN 74 HG2 GLN 74 6.592 11.458 0.590 602 2HG GLN 74 HG1 GLN 74 5.642 11.660 2.062 603 1HE2 GLN 74 HE21 GLN 74 7.053 12.161 4.037 604 2HE2 GLN 74 HE22 GLN 74 8.267 13.367 3.804 605 H GLU 75 HN GLU 75 9.450 8.565 2.736 606 HA GLU 75 HA GLU 75 11.502 10.383 2.144 607 1HB GLU 75 HB2 GLU 75 11.295 7.864 3.711 608 2HB GLU 75 HB1 GLU 75 12.909 8.432 3.304 609 1HG GLU 75 HG2 GLU 75 11.171 10.523 4.357 610 2HG GLU 75 HG1 GLU 75 11.448 9.194 5.483 611 H LYS 76 HN LYS 76 10.674 7.334 0.703 612 HA LYS 76 HA LYS 76 13.234 6.965 -0.587 613 1HB LYS 76 HB2 LYS 76 10.738 5.444 -0.298 614 2HB LYS 76 HB1 LYS 76 11.493 5.283 -1.877 615 1HG LYS 76 HG2 LYS 76 13.603 4.636 -0.748 616 2HG LYS 76 HG1 LYS 76 12.742 4.674 0.792 617 1HD LYS 76 HD2 LYS 76 11.110 3.028 -0.266 618 2HD LYS 76 HD1 LYS 76 12.310 2.833 -1.547 619 1HE LYS 76 HE2 LYS 76 13.944 2.044 0.017 620 2HE LYS 76 HE1 LYS 76 12.895 2.429 1.382 621 1HZ LYS 76 HZ1 LYS 76 12.397 0.358 -0.688 622 2HZ LYS 76 HZ2 LYS 76 11.322 0.758 0.556 623 3HZ LYS 76 HZ3 LYS 76 12.828 0.082 0.926 624 H VAL 77 HN VAL 77 9.912 7.600 -1.657 625 HA VAL 77 HA VAL 77 10.401 7.999 -4.347 626 HB VAL 77 HB VAL 77 8.138 7.860 -3.338 627 1HG1 VAL 77 HG11 VAL 77 7.122 9.922 -2.437 628 2HG1 VAL 77 HG12 VAL 77 8.707 10.694 -2.479 629 3HG1 VAL 77 HG13 VAL 77 8.430 9.306 -1.428 630 1HG2 VAL 77 HG21 VAL 77 8.839 9.016 -5.610 631 2HG2 VAL 77 HG22 VAL 77 8.145 10.429 -4.816 632 3HG2 VAL 77 HG23 VAL 77 7.164 8.984 -5.057 633 H GLU 78 HN GLU 78 10.977 10.115 -1.619 634 HA GLU 78 HA GLU 78 11.292 12.529 -3.016 635 1HB GLU 78 HB2 GLU 78 12.028 11.473 -0.361 636 2HB GLU 78 HB1 GLU 78 13.047 12.779 -0.950 637 1HG GLU 78 HG2 GLU 78 10.913 14.068 -1.378 638 2HG GLU 78 HG1 GLU 78 10.089 12.817 -0.449 639 H ILE 79 HN ILE 79 13.638 10.076 -1.995 640 HA ILE 79 HA ILE 79 15.915 11.196 -3.151 641 HB ILE 79 HB ILE 79 15.278 8.254 -2.874 642 1HG1 ILE 79 HG12 ILE 79 17.140 9.461 -0.977 643 2HG1 ILE 79 HG11 ILE 79 15.527 10.168 -0.891 644 1HG2 ILE 79 HG21 ILE 79 17.117 8.375 -4.327 645 2HG2 ILE 79 HG22 ILE 79 17.818 8.100 -2.733 646 3HG2 ILE 79 HG23 ILE 79 17.839 9.716 -3.437 647 1HD1 ILE 79 HD11 ILE 79 16.160 7.235 -0.683 648 2HD1 ILE 79 HD12 ILE 79 14.567 7.978 -0.540 649 3HD1 ILE 79 HD13 ILE 79 15.808 8.314 0.667 650 H LYS 80 HN LYS 80 13.157 10.178 -4.708 651 HA LYS 80 HA LYS 80 12.572 10.228 -6.886 652 1HB LYS 80 HB2 LYS 80 13.851 11.511 -8.169 653 2HB LYS 80 HB1 LYS 80 15.095 11.441 -6.932 654 1HG LYS 80 HG2 LYS 80 16.209 9.661 -8.022 655 2HG LYS 80 HG1 LYS 80 14.845 9.378 -9.104 656 1HD LYS 80 HD2 LYS 80 15.623 10.864 -10.564 657 2HD LYS 80 HD1 LYS 80 15.737 12.104 -9.313 658 1HE LYS 80 HE2 LYS 80 17.881 10.718 -8.636 659 2HE LYS 80 HE1 LYS 80 17.807 10.221 -10.326 660 1HZ LYS 80 HZ1 LYS 80 17.852 12.543 -10.979 661 2HZ LYS 80 HZ2 LYS 80 19.200 12.176 -10.024 662 3HZ LYS 80 HZ3 LYS 80 17.900 13.029 -9.359 663 H GLN 81 HN GLN 81 11.764 8.430 -7.522 664 HA GLN 81 HA GLN 81 13.121 6.391 -8.857 665 1HB GLN 81 HB2 GLN 81 13.186 6.140 -5.980 666 2HB GLN 81 HB1 GLN 81 12.287 4.806 -6.689 667 1HG GLN 81 HG2 GLN 81 14.179 4.283 -8.129 668 2HG GLN 81 HG1 GLN 81 15.079 5.635 -7.444 669 1HE2 GLN 81 HE21 GLN 81 15.551 2.690 -7.477 670 2HE2 GLN 81 HE22 GLN 81 15.802 2.263 -5.822 671 H LEU 82 HN LEU 82 10.392 7.231 -6.803 672 HA LEU 82 HA LEU 82 8.605 5.945 -8.747 673 1HB LEU 82 HB2 LEU 82 7.115 5.368 -6.777 674 2HB LEU 82 HB1 LEU 82 8.568 4.404 -6.975 675 HG LEU 82 HG LEU 82 8.923 6.719 -5.213 676 1HD1 LEU 82 HD11 LEU 82 7.769 5.270 -3.353 677 2HD1 LEU 82 HD12 LEU 82 6.787 4.709 -4.707 678 3HD1 LEU 82 HD13 LEU 82 6.840 6.425 -4.309 679 1HD2 LEU 82 HD21 LEU 82 10.658 5.392 -4.783 680 2HD2 LEU 82 HD22 LEU 82 9.896 4.017 -5.584 681 3HD2 LEU 82 HD23 LEU 82 9.538 4.361 -3.892 682 H ASN 83 HN ASN 83 9.300 8.634 -8.749 683 HA ASN 83 HA ASN 83 7.621 10.334 -7.294 684 1HB ASN 83 HB2 ASN 83 9.634 10.990 -8.685 685 2HB ASN 83 HB1 ASN 83 8.603 10.845 -10.106 686 1HD2 ASN 83 HD21 ASN 83 9.076 12.567 -7.089 687 2HD2 ASN 83 HD22 ASN 83 8.199 13.983 -7.542 688 H HIS 84 HN HIS 84 6.907 8.168 -9.812 689 HA HIS 84 HA HIS 84 4.545 9.571 -10.730 690 1HB HIS 84 HB2 HIS 84 4.458 6.920 -11.666 691 2HB HIS 84 HB1 HIS 84 4.954 8.353 -12.559 692 HD1 HIS 84 HD1 HIS 84 6.389 5.492 -10.570 693 HD2 HIS 84 HD2 HIS 84 7.646 8.508 -13.136 694 HE1 HIS 84 HE1 HIS 84 8.793 4.971 -11.092 695 HE2 HIS 84 HE2 HIS 84 9.511 6.769 -12.704 696 H PHE 85 HN PHE 85 5.340 6.810 -8.681 697 HA PHE 85 HA PHE 85 2.722 5.834 -8.353 698 1HB PHE 85 HB2 PHE 85 4.982 4.753 -7.683 699 2HB PHE 85 HB1 PHE 85 4.787 5.653 -6.179 700 HD1 PHE 85 HD1 PHE 85 3.661 4.654 -4.431 701 HD2 PHE 85 HD2 PHE 85 2.897 3.335 -8.406 702 HE1 PHE 85 HE1 PHE 85 2.205 2.869 -3.554 703 HE2 PHE 85 HE2 PHE 85 1.444 1.551 -7.538 704 HZ PHE 85 HZ PHE 85 1.097 1.317 -5.111 705 H TRP 86 HN TRP 86 4.395 8.523 -6.904 706 HA TRP 86 HA TRP 86 2.515 8.805 -4.744 707 1HB TRP 86 HB2 TRP 86 4.934 9.526 -4.640 708 2HB TRP 86 HB1 TRP 86 4.506 10.855 -5.713 709 HD1 TRP 86 HD1 TRP 86 4.072 13.012 -4.453 710 HE1 TRP 86 HE1 TRP 86 3.167 13.661 -2.128 711 HE3 TRP 86 HE3 TRP 86 3.122 8.339 -2.630 712 HZ2 TRP 86 HZ2 TRP 86 2.176 12.349 0.177 713 HZ3 TRP 86 HZ3 TRP 86 2.197 8.117 -0.362 714 HH2 TRP 86 HH2 TRP 86 1.734 10.082 1.011 715 H GLU 87 HN GLU 87 3.239 10.610 -7.731 716 HA GLU 87 HA GLU 87 1.153 12.474 -7.472 717 1HB GLU 87 HB2 GLU 87 2.805 11.476 -9.760 718 2HB GLU 87 HB1 GLU 87 1.400 12.478 -10.098 719 1HG GLU 87 HG2 GLU 87 2.333 14.203 -8.579 720 2HG GLU 87 HG1 GLU 87 3.782 13.212 -8.412 721 H ILE 88 HN ILE 88 1.171 9.165 -8.334 722 HA ILE 88 HA ILE 88 -1.416 9.252 -9.664 723 HB ILE 88 HB ILE 88 0.462 6.986 -9.000 724 1HG1 ILE 88 HG12 ILE 88 -0.626 7.818 -11.687 725 2HG1 ILE 88 HG11 ILE 88 0.811 8.566 -10.994 726 1HG2 ILE 88 HG21 ILE 88 -1.578 5.922 -8.688 727 2HG2 ILE 88 HG22 ILE 88 -1.242 5.631 -10.394 728 3HG2 ILE 88 HG23 ILE 88 -2.385 6.888 -9.923 729 1HD1 ILE 88 HD11 ILE 88 0.443 5.668 -11.704 730 2HD1 ILE 88 HD12 ILE 88 1.852 6.323 -10.871 731 3HD1 ILE 88 HD13 ILE 88 1.478 6.845 -12.514 732 H VAL 89 HN VAL 89 -0.061 7.544 -6.858 733 HA VAL 89 HA VAL 89 -2.338 6.620 -5.688 734 HB VAL 89 HB VAL 89 0.067 6.298 -4.920 735 1HG1 VAL 89 HG11 VAL 89 1.189 7.884 -3.824 736 2HG1 VAL 89 HG12 VAL 89 -0.206 8.303 -2.829 737 3HG1 VAL 89 HG13 VAL 89 -0.029 9.001 -4.437 738 1HG2 VAL 89 HG21 VAL 89 -1.618 5.194 -3.722 739 2HG2 VAL 89 HG22 VAL 89 -2.215 6.694 -3.014 740 3HG2 VAL 89 HG23 VAL 89 -0.662 6.034 -2.502 741 H VAL 90 HN VAL 90 -1.139 9.926 -5.644 742 HA VAL 90 HA VAL 90 -3.042 10.792 -3.661 743 HB VAL 90 HB VAL 90 -0.830 11.915 -3.979 744 1HG1 VAL 90 HG11 VAL 90 -0.883 11.860 -6.472 745 2HG1 VAL 90 HG12 VAL 90 -0.447 13.423 -5.781 746 3HG1 VAL 90 HG13 VAL 90 -2.071 13.163 -6.419 747 1HG2 VAL 90 HG21 VAL 90 -1.648 14.136 -3.569 748 2HG2 VAL 90 HG22 VAL 90 -2.756 12.981 -2.829 749 3HG2 VAL 90 HG23 VAL 90 -3.183 13.760 -4.352 750 H GLN 91 HN GLN 91 -2.650 11.211 -7.157 751 HA GLN 91 HA GLN 91 -4.929 12.662 -7.714 752 1HB GLN 91 HB2 GLN 91 -3.086 10.989 -9.211 753 2HB GLN 91 HB1 GLN 91 -4.720 10.886 -9.852 754 1HG GLN 91 HG2 GLN 91 -4.694 13.445 -9.800 755 2HG GLN 91 HG1 GLN 91 -2.949 13.287 -9.606 756 1HE2 GLN 91 HE21 GLN 91 -1.840 11.955 -11.250 757 2HE2 GLN 91 HE22 GLN 91 -2.400 12.046 -12.881 758 H ASP 92 HN ASP 92 -4.585 9.181 -7.247 759 HA ASP 92 HA ASP 92 -7.240 8.499 -7.971 760 1HB ASP 92 HB2 ASP 92 -5.016 7.122 -6.517 761 2HB ASP 92 HB1 ASP 92 -6.634 6.427 -6.465 762 H GLY 93 HN GLY 93 -6.246 10.388 -5.514 763 1HA GLY 93 HA2 GLY 93 -7.441 11.278 -3.755 764 2HA GLY 93 HA1 GLY 93 -8.739 10.148 -4.118 765 H ILE 94 HN ILE 94 -5.814 8.489 -3.773 766 HA ILE 94 HA ILE 94 -6.686 7.214 -1.397 767 HB ILE 94 HB ILE 94 -3.905 7.139 -2.569 768 1HG1 ILE 94 HG12 ILE 94 -6.240 5.306 -3.158 769 2HG1 ILE 94 HG11 ILE 94 -5.694 6.591 -4.231 770 1HG2 ILE 94 HG21 ILE 94 -4.174 6.251 -0.273 771 2HG2 ILE 94 HG22 ILE 94 -3.698 5.021 -1.442 772 3HG2 ILE 94 HG23 ILE 94 -5.370 5.111 -0.889 773 1HD1 ILE 94 HD11 ILE 94 -4.915 4.291 -4.818 774 2HD1 ILE 94 HD12 ILE 94 -3.938 4.317 -3.350 775 3HD1 ILE 94 HD13 ILE 94 -3.635 5.489 -4.634 776 H THR 95 HN THR 95 -6.299 7.646 0.671 777 HA THR 95 HA THR 95 -4.737 10.024 1.311 778 HB THR 95 HB THR 95 -5.907 10.178 3.335 779 HG1 THR 95 HG1 THR 95 -6.455 8.446 4.418 780 1HG2 THR 95 HG21 THR 95 -8.275 10.007 2.717 781 2HG2 THR 95 HG22 THR 95 -7.839 9.012 1.327 782 3HG2 THR 95 HG23 THR 95 -7.317 10.694 1.405 783 H LEU 96 HN LEU 96 -4.226 9.527 3.975 784 HA LEU 96 HA LEU 96 -2.028 7.573 3.769 785 1HB LEU 96 HB2 LEU 96 -2.208 10.298 4.876 786 2HB LEU 96 HB1 LEU 96 -1.392 9.142 5.912 787 HG LEU 96 HG LEU 96 -0.055 10.595 4.186 788 1HD1 LEU 96 HD11 LEU 96 0.347 8.068 5.444 789 2HD1 LEU 96 HD12 LEU 96 1.522 9.330 5.074 790 3HD1 LEU 96 HD13 LEU 96 1.164 8.083 3.881 791 1HD2 LEU 96 HD21 LEU 96 -0.644 8.200 2.468 792 2HD2 LEU 96 HD22 LEU 96 0.262 9.653 2.048 793 3HD2 LEU 96 HD23 LEU 96 -1.483 9.740 2.277 794 H ILE 97 HN ILE 97 -4.997 7.749 4.821 795 HA ILE 97 HA ILE 97 -6.176 6.354 6.201 796 HB ILE 97 HB ILE 97 -3.482 5.388 6.663 797 1HG1 ILE 97 HG12 ILE 97 -4.988 3.286 7.165 798 2HG1 ILE 97 HG11 ILE 97 -6.263 4.313 6.512 799 1HG2 ILE 97 HG21 ILE 97 -3.888 4.375 8.875 800 2HG2 ILE 97 HG22 ILE 97 -5.352 5.347 9.027 801 3HG2 ILE 97 HG23 ILE 97 -3.773 6.135 8.940 802 1HD1 ILE 97 HD11 ILE 97 -4.034 4.458 4.762 803 2HD1 ILE 97 HD12 ILE 97 -5.633 3.780 4.461 804 3HD1 ILE 97 HD13 ILE 97 -4.352 2.759 5.115 805 H THR 98 HN THR 98 -7.409 7.107 7.794 806 HA THR 98 HA THR 98 -6.242 9.131 9.585 807 HB THR 98 HB THR 98 -9.190 8.942 9.304 808 HG1 THR 98 HG1 THR 98 -8.516 10.545 7.385 809 1HG2 THR 98 HG21 THR 98 -8.363 10.635 10.745 810 2HG2 THR 98 HG22 THR 98 -8.868 11.456 9.268 811 3HG2 THR 98 HG23 THR 98 -7.157 11.149 9.566 812 H LYS 99 HN LYS 99 -6.683 9.106 11.756 813 HA LYS 99 HA LYS 99 -6.651 6.918 13.239 814 1HB LYS 99 HB2 LYS 99 -8.115 8.315 14.940 815 2HB LYS 99 HB1 LYS 99 -6.478 8.796 14.522 816 1HG LYS 99 HG2 LYS 99 -7.255 10.479 13.043 817 2HG LYS 99 HG1 LYS 99 -8.912 9.879 13.131 818 1HD LYS 99 HD2 LYS 99 -9.055 11.628 14.596 819 2HD LYS 99 HD1 LYS 99 -8.572 10.346 15.709 820 1HE LYS 99 HE2 LYS 99 -6.226 11.050 15.466 821 2HE LYS 99 HE1 LYS 99 -6.743 12.359 14.402 822 1HZ LYS 99 HZ1 LYS 99 -7.965 13.341 16.196 823 2HZ LYS 99 HZ2 LYS 99 -6.380 13.067 16.717 824 3HZ LYS 99 HZ3 LYS 99 -7.624 12.038 17.220 825 H GLU 100 HN GLU 100 -9.803 8.532 12.831 826 HA GLU 100 HA GLU 100 -11.319 6.482 13.933 827 1HB GLU 100 HB2 GLU 100 -12.144 8.728 13.693 828 2HB GLU 100 HB1 GLU 100 -12.128 8.592 11.940 829 1HG GLU 100 HG2 GLU 100 -14.094 7.531 11.889 830 2HG GLU 100 HG1 GLU 100 -13.696 6.520 13.278 831 H GLU 101 HN GLU 101 -9.817 6.484 10.856 832 HA GLU 101 HA GLU 101 -11.662 4.968 9.379 833 1HB GLU 101 HB2 GLU 101 -8.649 5.063 9.229 834 2HB GLU 101 HB1 GLU 101 -9.645 4.173 8.085 835 1HG GLU 101 HG2 GLU 101 -10.775 6.698 8.134 836 2HG GLU 101 HG1 GLU 101 -9.037 6.997 8.211 837 H ALA 102 HN ALA 102 -10.249 4.177 12.223 838 HA ALA 102 HA ALA 102 -10.414 1.283 11.686 839 1HB ALA 102 HB1 ALA 102 -8.159 2.436 12.426 840 2HB ALA 102 HB2 ALA 102 -8.627 0.856 13.054 841 3HB ALA 102 HB3 ALA 102 -8.884 2.304 14.028 842 H SER 103 HN SER 103 -10.327 0.538 14.439 843 HA SER 103 HA SER 103 -13.094 0.946 15.111 844 1HB SER 103 HB2 SER 103 -11.632 -1.190 15.446 845 2HB SER 103 HB1 SER 103 -11.121 -0.396 16.934 846 HG SER 103 HG SER 103 -13.516 -1.578 16.304 847 H GLY 104 HN GLY 104 -10.467 2.830 15.535 848 1HA GLY 104 HA2 GLY 104 -11.070 4.938 16.784 849 2HA GLY 104 HA1 GLY 104 -11.397 3.867 18.142 850 H SER 105 HN SER 105 -8.806 4.618 15.828 851 HA SER 105 HA SER 105 -6.897 4.448 18.068 852 1HB SER 105 HB2 SER 105 -6.482 3.429 15.253 853 2HB SER 105 HB1 SER 105 -5.220 3.521 16.486 854 HG SER 105 HG SER 105 -7.627 2.028 16.694 855 H SER 106 HN SER 106 -5.743 6.151 18.422 856 HA SER 106 HA SER 106 -6.043 8.514 17.003 857 1HB SER 106 HB2 SER 106 -3.789 7.664 18.837 858 2HB SER 106 HB1 SER 106 -4.100 9.320 18.315 859 HG SER 106 HG SER 106 -5.814 9.422 19.592 860 H VAL 107 HN VAL 107 -4.956 9.488 15.450 861 HA VAL 107 HA VAL 107 -2.538 8.304 14.338 862 HB VAL 107 HB VAL 107 -5.085 8.697 12.782 863 1HG1 VAL 107 HG11 VAL 107 -3.285 8.031 10.868 864 2HG1 VAL 107 HG12 VAL 107 -2.314 9.104 11.876 865 3HG1 VAL 107 HG13 VAL 107 -3.831 9.679 11.183 866 1HG2 VAL 107 HG21 VAL 107 -3.125 6.450 13.161 867 2HG2 VAL 107 HG22 VAL 107 -4.359 6.439 11.900 868 3HG2 VAL 107 HG23 VAL 107 -4.833 6.493 13.599 869 H THR 108 HN THR 108 -1.103 9.844 14.196 870 HA THR 108 HA THR 108 -1.442 12.488 14.777 871 HB THR 108 HB THR 108 0.713 11.062 14.435 872 HG1 THR 108 HG1 THR 108 0.781 13.148 15.283 873 1HG2 THR 108 HG21 THR 108 0.803 12.590 11.849 874 2HG2 THR 108 HG22 THR 108 0.236 10.921 11.918 875 3HG2 THR 108 HG23 THR 108 1.882 11.316 12.418 876 H ALA 109 HN ALA 109 -1.488 14.408 13.633 877 HA ALA 109 HA ALA 109 -3.073 14.379 11.225 878 1HB ALA 109 HB1 ALA 109 -2.846 16.905 11.469 879 2HB ALA 109 HB2 ALA 109 -2.001 16.574 12.981 880 3HB ALA 109 HB3 ALA 109 -3.673 16.052 12.772 881 H GLU 110 HN GLU 110 0.153 14.187 11.915 882 HA GLU 110 HA GLU 110 1.173 15.790 9.724 883 1HB GLU 110 HB2 GLU 110 2.404 14.080 11.859 884 2HB GLU 110 HB1 GLU 110 3.350 14.504 10.438 885 1HG GLU 110 HG2 GLU 110 3.135 16.839 10.915 886 2HG GLU 110 HG1 GLU 110 2.004 16.513 12.226 887 H GLU 111 HN GLU 111 -0.089 12.713 10.213 888 HA GLU 111 HA GLU 111 1.429 11.353 8.167 889 1HB GLU 111 HB2 GLU 111 0.773 9.863 9.821 890 2HB GLU 111 HB1 GLU 111 -0.807 10.611 10.016 891 1HG GLU 111 HG2 GLU 111 -1.666 9.564 8.122 892 2HG GLU 111 HG1 GLU 111 -0.066 9.128 7.523 893 H ALA 112 HN ALA 112 -1.947 12.443 8.568 894 HA ALA 112 HA ALA 112 -2.509 11.819 5.806 895 1HB ALA 112 HB1 ALA 112 -4.795 12.818 6.499 896 2HB ALA 112 HB2 ALA 112 -4.146 12.700 8.136 897 3HB ALA 112 HB3 ALA 112 -4.297 11.252 7.139 898 H LYS 113 HN LYS 113 -2.205 14.741 7.795 899 HA LYS 113 HA LYS 113 -3.016 16.443 5.618 900 1HB LYS 113 HB2 LYS 113 -1.725 17.319 8.192 901 2HB LYS 113 HB1 LYS 113 -2.743 18.268 7.118 902 1HG LYS 113 HG2 LYS 113 -4.413 16.225 7.740 903 2HG LYS 113 HG1 LYS 113 -3.476 16.371 9.229 904 1HD LYS 113 HD2 LYS 113 -4.155 18.577 9.581 905 2HD LYS 113 HD1 LYS 113 -4.658 18.787 7.903 906 1HE LYS 113 HE2 LYS 113 -6.722 18.456 8.736 907 2HE LYS 113 HE1 LYS 113 -6.272 16.753 8.659 908 1HZ LYS 113 HZ1 LYS 113 -7.104 18.050 10.879 909 2HZ LYS 113 HZ2 LYS 113 -5.424 18.062 11.076 910 3HZ LYS 113 HZ3 LYS 113 -6.240 16.595 10.870 911 H LYS 114 HN LYS 114 0.089 15.869 7.309 912 HA LYS 114 HA LYS 114 1.539 17.736 5.787 913 1HB LYS 114 HB2 LYS 114 2.055 16.162 7.965 914 2HB LYS 114 HB1 LYS 114 3.077 15.437 6.734 915 1HG LYS 114 HG2 LYS 114 3.249 18.329 6.734 916 2HG LYS 114 HG1 LYS 114 3.685 17.627 8.292 917 1HD LYS 114 HD2 LYS 114 4.921 15.999 6.398 918 2HD LYS 114 HD1 LYS 114 5.151 17.644 5.801 919 1HE LYS 114 HE2 LYS 114 5.893 16.583 8.525 920 2HE LYS 114 HE1 LYS 114 7.000 17.037 7.230 921 1HZ LYS 114 HZ1 LYS 114 5.568 19.284 7.549 922 2HZ LYS 114 HZ2 LYS 114 7.054 18.986 8.299 923 3HZ LYS 114 HZ3 LYS 114 5.613 18.703 9.137 924 H PHE 115 HN PHE 115 0.791 14.352 5.173 925 HA PHE 115 HA PHE 115 2.698 14.064 3.062 926 1HB PHE 115 HB2 PHE 115 0.439 12.435 4.131 927 2HB PHE 115 HB1 PHE 115 1.093 12.041 2.543 928 HD1 PHE 115 HD1 PHE 115 2.201 12.672 6.048 929 HD2 PHE 115 HD2 PHE 115 2.869 10.597 2.395 930 HE1 PHE 115 HE1 PHE 115 3.993 11.369 7.119 931 HE2 PHE 115 HE2 PHE 115 4.659 9.292 3.457 932 HZ PHE 115 HZ PHE 115 5.220 9.672 5.823 933 H LEU 116 HN LEU 116 -0.838 14.533 3.109 934 HA LEU 116 HA LEU 116 -1.029 14.581 0.252 935 1HB LEU 116 HB2 LEU 116 -2.907 15.068 2.518 936 2HB LEU 116 HB1 LEU 116 -3.360 15.613 0.914 937 HG LEU 116 HG LEU 116 -2.431 12.867 0.859 938 1HD1 LEU 116 HD11 LEU 116 -4.318 13.650 2.980 939 2HD1 LEU 116 HD12 LEU 116 -3.250 12.251 2.862 940 3HD1 LEU 116 HD13 LEU 116 -4.787 12.265 1.995 941 1HD2 LEU 116 HD21 LEU 116 -5.237 13.593 0.284 942 2HD2 LEU 116 HD22 LEU 116 -4.089 12.649 -0.665 943 3HD2 LEU 116 HD23 LEU 116 -3.998 14.410 -0.669 944 H ALA 117 HN ALA 117 -0.772 17.027 2.768 945 HA ALA 117 HA ALA 117 -1.053 19.152 0.779 946 1HB ALA 117 HB1 ALA 117 -2.143 19.112 3.149 947 2HB ALA 117 HB2 ALA 117 -1.492 20.617 2.501 948 3HB ALA 117 HB3 ALA 117 -0.560 19.687 3.674 949 HA PRO 118 HA PRO 118 3.334 19.716 0.506 950 1HB PRO 118 HB2 PRO 118 3.432 22.211 -0.504 951 2HB PRO 118 HB1 PRO 118 2.856 20.836 -1.455 952 1HG PRO 118 HG2 PRO 118 1.281 22.929 -0.004 953 2HG PRO 118 HG1 PRO 118 1.019 22.255 -1.622 954 1HD PRO 118 HD2 PRO 118 -0.378 21.451 0.575 955 2HD PRO 118 HD1 PRO 118 -0.046 20.389 -0.808 956 H LYS 119 HN LYS 119 4.716 22.091 0.783 957 HA LYS 119 HA LYS 119 4.219 22.867 3.581 958 1HB LYS 119 HB2 LYS 119 6.697 21.861 2.278 959 2HB LYS 119 HB1 LYS 119 6.876 23.141 3.470 960 1HG LYS 119 HG2 LYS 119 5.664 21.747 5.104 961 2HG LYS 119 HG1 LYS 119 5.597 20.451 3.907 962 1HD LYS 119 HD2 LYS 119 8.181 20.780 3.814 963 2HD LYS 119 HD1 LYS 119 7.953 21.552 5.385 964 1HE LYS 119 HE2 LYS 119 6.638 19.439 6.008 965 2HE LYS 119 HE1 LYS 119 7.382 18.718 4.582 966 1HZ LYS 119 HZ1 LYS 119 9.438 18.734 5.530 967 2HZ LYS 119 HZ2 LYS 119 8.503 18.552 6.928 968 3HZ LYS 119 HZ3 LYS 119 9.116 20.072 6.516 969 H ASP 120 HN ASP 120 6.357 23.811 0.883 970 HA ASP 120 HA ASP 120 5.765 26.620 1.496 971 1HB ASP 120 HB2 ASP 120 8.053 25.269 0.080 972 2HB ASP 120 HB1 ASP 120 7.770 27.001 -0.076 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 0.786 -14.064 -15.059 2 2H GLY 1 HT2 GLY 1 -0.382 -14.897 -14.163 3 3H GLY 1 HT3 GLY 1 0.157 -13.379 -13.645 4 1HA GLY 1 HA1 GLY 1 -1.020 -12.231 -15.221 5 2HA GLY 1 HA2 GLY 1 -1.057 -13.612 -16.306 6 HA PRO 2 HA PRO 2 -5.111 -14.818 -15.103 7 1HB PRO 2 HB2 PRO 2 -4.096 -17.439 -14.142 8 2HB PRO 2 HB1 PRO 2 -5.340 -17.087 -15.347 9 1HG PRO 2 HG2 PRO 2 -2.928 -17.949 -16.084 10 2HG PRO 2 HG1 PRO 2 -3.791 -16.724 -17.032 11 1HD PRO 2 HD2 PRO 2 -1.506 -16.393 -15.135 12 2HD PRO 2 HD1 PRO 2 -1.833 -15.555 -16.665 13 H VAL 3 HN VAL 3 -2.539 -15.306 -12.795 14 HA VAL 3 HA VAL 3 -4.443 -15.364 -10.570 15 HB VAL 3 HB VAL 3 -2.646 -17.040 -10.545 16 1HG1 VAL 3 HG11 VAL 3 -0.986 -15.524 -11.709 17 2HG1 VAL 3 HG12 VAL 3 -0.356 -16.497 -10.380 18 3HG1 VAL 3 HG13 VAL 3 -0.700 -14.785 -10.134 19 1HG2 VAL 3 HG21 VAL 3 -2.230 -15.024 -8.345 20 2HG2 VAL 3 HG22 VAL 3 -1.997 -16.771 -8.263 21 3HG2 VAL 3 HG23 VAL 3 -3.620 -16.104 -8.441 22 H ASN 4 HN ASN 4 -4.467 -13.827 -8.950 23 HA ASN 4 HA ASN 4 -2.919 -11.377 -9.481 24 1HB ASN 4 HB2 ASN 4 -5.548 -11.455 -9.818 25 2HB ASN 4 HB1 ASN 4 -5.548 -11.238 -8.068 26 1HD2 ASN 4 HD21 ASN 4 -4.979 -9.786 -11.127 27 2HD2 ASN 4 HD22 ASN 4 -4.664 -8.186 -10.556 28 HA PRO 5 HA PRO 5 -1.182 -11.882 -5.434 29 1HB PRO 5 HB2 PRO 5 -1.195 -8.918 -5.321 30 2HB PRO 5 HB1 PRO 5 0.153 -10.046 -5.142 31 1HG PRO 5 HG2 PRO 5 -0.130 -8.597 -7.362 32 2HG PRO 5 HG1 PRO 5 0.437 -10.278 -7.431 33 1HD PRO 5 HD2 PRO 5 -2.269 -9.160 -8.051 34 2HD PRO 5 HD1 PRO 5 -1.360 -10.440 -8.882 35 H ALA 6 HN ALA 6 -3.803 -9.570 -5.934 36 HA ALA 6 HA ALA 6 -4.499 -9.510 -3.126 37 1HB ALA 6 HB1 ALA 6 -6.561 -8.262 -4.233 38 2HB ALA 6 HB2 ALA 6 -5.433 -8.134 -5.582 39 3HB ALA 6 HB3 ALA 6 -5.001 -7.472 -4.005 40 H GLU 7 HN GLU 7 -5.236 -11.421 -5.835 41 HA GLU 7 HA GLU 7 -7.842 -12.279 -4.883 42 1HB GLU 7 HB2 GLU 7 -6.159 -12.901 -7.280 43 2HB GLU 7 HB1 GLU 7 -7.479 -13.977 -6.845 44 1HG GLU 7 HG2 GLU 7 -8.807 -11.680 -6.762 45 2HG GLU 7 HG1 GLU 7 -7.547 -11.215 -7.903 46 H ASN 8 HN ASN 8 -4.550 -13.500 -5.026 47 HA ASN 8 HA ASN 8 -5.302 -16.069 -3.919 48 1HB ASN 8 HB2 ASN 8 -2.999 -14.964 -5.267 49 2HB ASN 8 HB1 ASN 8 -2.510 -15.807 -3.800 50 1HD2 ASN 8 HD21 ASN 8 -2.116 -17.875 -4.032 51 2HD2 ASN 8 HD22 ASN 8 -2.786 -18.916 -5.237 52 H PHE 9 HN PHE 9 -4.011 -13.031 -2.793 53 HA PHE 9 HA PHE 9 -3.102 -14.034 -0.268 54 1HB PHE 9 HB2 PHE 9 -1.977 -12.098 -0.862 55 2HB PHE 9 HB1 PHE 9 -3.427 -11.326 -1.493 56 HD1 PHE 9 HD1 PHE 9 -4.672 -9.852 -0.180 57 HD2 PHE 9 HD2 PHE 9 -1.734 -12.331 1.647 58 HE1 PHE 9 HE1 PHE 9 -4.925 -8.597 1.920 59 HE2 PHE 9 HE2 PHE 9 -1.983 -11.081 3.752 60 HZ PHE 9 HZ PHE 9 -3.580 -9.210 3.890 61 H ARG 10 HN ARG 10 -5.949 -12.215 -1.354 62 HA ARG 10 HA ARG 10 -7.128 -11.924 1.186 63 1HB ARG 10 HB2 ARG 10 -8.152 -11.782 -1.624 64 2HB ARG 10 HB1 ARG 10 -9.282 -11.727 -0.279 65 1HG ARG 10 HG2 ARG 10 -8.241 -9.750 0.591 66 2HG ARG 10 HG1 ARG 10 -6.953 -9.850 -0.611 67 1HD ARG 10 HD2 ARG 10 -8.242 -8.396 -1.748 68 2HD ARG 10 HD1 ARG 10 -9.128 -9.850 -2.214 69 HE ARG 10 HE ARG 10 -10.469 -9.241 -0.059 70 1HH1 ARG 10 HH11 ARG 10 -9.196 -7.049 -2.452 71 2HH1 ARG 10 HH12 ARG 10 -10.433 -5.862 -2.208 72 1HH2 ARG 10 HH21 ARG 10 -12.101 -7.683 0.267 73 2HH2 ARG 10 HH22 ARG 10 -12.084 -6.222 -0.662 74 H VAL 11 HN VAL 11 -7.441 -14.447 -1.271 75 HA VAL 11 HA VAL 11 -9.564 -15.827 -0.001 76 HB VAL 11 HB VAL 11 -9.017 -16.110 -2.389 77 1HG1 VAL 11 HG11 VAL 11 -6.641 -17.666 -1.375 78 2HG1 VAL 11 HG12 VAL 11 -6.587 -16.124 -2.227 79 3HG1 VAL 11 HG13 VAL 11 -7.168 -17.568 -3.054 80 1HG2 VAL 11 HG21 VAL 11 -10.312 -17.801 -1.054 81 2HG2 VAL 11 HG22 VAL 11 -8.824 -18.740 -0.936 82 3HG2 VAL 11 HG23 VAL 11 -9.545 -18.425 -2.514 83 H LEU 12 HN LEU 12 -6.040 -16.128 0.231 84 HA LEU 12 HA LEU 12 -6.173 -18.525 1.795 85 1HB LEU 12 HB2 LEU 12 -3.884 -18.554 1.742 86 2HB LEU 12 HB1 LEU 12 -4.244 -17.631 0.295 87 HG LEU 12 HG LEU 12 -3.975 -15.600 2.032 88 1HD1 LEU 12 HD11 LEU 12 -3.296 -16.444 4.010 89 2HD1 LEU 12 HD12 LEU 12 -1.719 -16.474 3.221 90 3HD1 LEU 12 HD13 LEU 12 -2.698 -17.938 3.288 91 1HD2 LEU 12 HD21 LEU 12 -2.705 -16.370 -0.154 92 2HD2 LEU 12 HD22 LEU 12 -1.442 -16.768 1.011 93 3HD2 LEU 12 HD23 LEU 12 -2.055 -15.117 0.901 94 H VAL 13 HN VAL 13 -6.236 -15.128 2.523 95 HA VAL 13 HA VAL 13 -5.698 -15.652 5.348 96 HB VAL 13 HB VAL 13 -5.712 -13.234 5.663 97 1HG1 VAL 13 HG11 VAL 13 -3.654 -12.792 4.651 98 2HG1 VAL 13 HG12 VAL 13 -4.031 -13.781 3.241 99 3HG1 VAL 13 HG13 VAL 13 -3.696 -14.550 4.793 100 1HG2 VAL 13 HG21 VAL 13 -5.699 -11.905 3.404 101 2HG2 VAL 13 HG22 VAL 13 -7.217 -12.276 4.222 102 3HG2 VAL 13 HG23 VAL 13 -6.693 -13.253 2.850 103 H LYS 14 HN LYS 14 -8.349 -15.521 3.291 104 HA LYS 14 HA LYS 14 -10.165 -14.612 5.406 105 1HB LYS 14 HB2 LYS 14 -10.380 -14.852 2.440 106 2HB LYS 14 HB1 LYS 14 -11.849 -14.957 3.397 107 1HG LYS 14 HG2 LYS 14 -11.035 -12.766 4.483 108 2HG LYS 14 HG1 LYS 14 -9.972 -12.654 3.080 109 1HD LYS 14 HD2 LYS 14 -11.892 -12.766 1.591 110 2HD LYS 14 HD1 LYS 14 -12.973 -12.948 2.974 111 1HE LYS 14 HE2 LYS 14 -12.555 -10.749 3.717 112 2HE LYS 14 HE1 LYS 14 -11.156 -10.575 2.657 113 1HZ LYS 14 HZ1 LYS 14 -13.070 -9.376 1.804 114 2HZ LYS 14 HZ2 LYS 14 -13.981 -10.801 1.767 115 3HZ LYS 14 HZ3 LYS 14 -12.640 -10.629 0.751 116 H GLN 15 HN GLN 15 -9.144 -17.454 3.722 117 HA GLN 15 HA GLN 15 -11.342 -19.123 4.013 118 1HB GLN 15 HB2 GLN 15 -9.648 -20.991 4.087 119 2HB GLN 15 HB1 GLN 15 -9.500 -19.891 2.722 120 1HG GLN 15 HG2 GLN 15 -7.662 -18.747 3.810 121 2HG GLN 15 HG1 GLN 15 -7.835 -19.780 5.227 122 1HE2 GLN 15 HE21 GLN 15 -7.834 -20.450 1.745 123 2HE2 GLN 15 HE22 GLN 15 -6.550 -21.605 1.791 124 H LYS 16 HN LYS 16 -8.966 -18.106 6.373 125 HA LYS 16 HA LYS 16 -10.643 -18.809 8.549 126 1HB LYS 16 HB2 LYS 16 -8.980 -20.442 9.584 127 2HB LYS 16 HB1 LYS 16 -9.981 -21.054 8.275 128 1HG LYS 16 HG2 LYS 16 -8.143 -20.810 6.716 129 2HG LYS 16 HG1 LYS 16 -7.137 -20.108 7.985 130 1HD LYS 16 HD2 LYS 16 -7.251 -22.193 9.244 131 2HD LYS 16 HD1 LYS 16 -8.297 -22.895 8.008 132 1HE LYS 16 HE2 LYS 16 -6.350 -23.710 7.211 133 2HE LYS 16 HE1 LYS 16 -6.228 -22.110 6.479 134 1HZ LYS 16 HZ1 LYS 16 -4.980 -22.992 9.025 135 2HZ LYS 16 HZ2 LYS 16 -4.943 -21.404 8.443 136 3HZ LYS 16 HZ3 LYS 16 -4.182 -22.639 7.576 137 H LYS 17 HN LYS 17 -7.154 -18.562 7.849 138 HA LYS 17 HA LYS 17 -6.748 -16.033 8.897 139 1HB LYS 17 HB2 LYS 17 -5.680 -16.572 11.086 140 2HB LYS 17 HB1 LYS 17 -7.417 -16.842 11.059 141 1HG LYS 17 HG2 LYS 17 -7.020 -18.864 11.872 142 2HG LYS 17 HG1 LYS 17 -6.325 -19.281 10.305 143 1HD LYS 17 HD2 LYS 17 -4.276 -19.406 11.168 144 2HD LYS 17 HD1 LYS 17 -4.433 -17.816 11.919 145 1HE LYS 17 HE2 LYS 17 -5.690 -20.278 13.099 146 2HE LYS 17 HE1 LYS 17 -4.031 -19.806 13.464 147 1HZ LYS 17 HZ1 LYS 17 -6.410 -18.085 13.903 148 2HZ LYS 17 HZ2 LYS 17 -4.818 -17.730 14.346 149 3HZ LYS 17 HZ3 LYS 17 -5.644 -18.994 15.106 150 H ALA 18 HN ALA 18 -5.588 -19.166 8.095 151 HA ALA 18 HA ALA 18 -3.489 -20.015 7.645 152 1HB ALA 18 HB1 ALA 18 -3.942 -17.602 5.961 153 2HB ALA 18 HB2 ALA 18 -3.900 -19.306 5.508 154 3HB ALA 18 HB3 ALA 18 -2.397 -18.447 5.849 155 H SER 19 HN SER 19 -2.189 -16.853 7.062 156 HA SER 19 HA SER 19 -1.010 -16.390 9.584 157 1HB SER 19 HB2 SER 19 1.383 -16.878 8.821 158 2HB SER 19 HB1 SER 19 0.387 -18.278 9.233 159 HG SER 19 HG SER 19 1.618 -17.758 6.942 160 H PHE 20 HN PHE 20 -1.156 -14.242 9.462 161 HA PHE 20 HA PHE 20 -0.793 -12.774 7.040 162 1HB PHE 20 HB2 PHE 20 -2.193 -12.239 9.219 163 2HB PHE 20 HB1 PHE 20 -0.705 -11.442 9.715 164 HD1 PHE 20 HD1 PHE 20 -0.062 -9.362 8.797 165 HD2 PHE 20 HD2 PHE 20 -3.369 -11.486 7.164 166 HE1 PHE 20 HE1 PHE 20 -0.696 -7.371 7.499 167 HE2 PHE 20 HE2 PHE 20 -4.007 -9.499 5.861 168 HZ PHE 20 HZ PHE 20 -2.669 -7.438 6.027 169 H GLU 21 HN GLU 21 1.491 -14.128 7.177 170 HA GLU 21 HA GLU 21 3.476 -12.062 7.791 171 1HB GLU 21 HB2 GLU 21 3.199 -14.469 9.233 172 2HB GLU 21 HB1 GLU 21 4.612 -14.674 8.207 173 1HG GLU 21 HG2 GLU 21 5.627 -12.699 9.125 174 2HG GLU 21 HG1 GLU 21 4.173 -12.343 10.057 175 H GLU 22 HN GLU 22 3.189 -15.323 6.376 176 HA GLU 22 HA GLU 22 5.209 -14.844 4.425 177 1HB GLU 22 HB2 GLU 22 3.101 -16.987 4.245 178 2HB GLU 22 HB1 GLU 22 4.751 -17.023 3.641 179 1HG GLU 22 HG2 GLU 22 4.893 -16.625 6.431 180 2HG GLU 22 HG1 GLU 22 3.738 -17.924 6.139 181 H ALA 23 HN ALA 23 1.680 -14.813 4.422 182 HA ALA 23 HA ALA 23 1.345 -14.422 1.641 183 1HB ALA 23 HB1 ALA 23 -0.381 -15.142 3.417 184 2HB ALA 23 HB2 ALA 23 -0.915 -14.111 2.089 185 3HB ALA 23 HB3 ALA 23 -0.604 -13.412 3.679 186 H SER 24 HN SER 24 1.883 -12.236 4.335 187 HA SER 24 HA SER 24 1.306 -9.856 2.845 188 1HB SER 24 HB2 SER 24 2.739 -10.272 5.480 189 2HB SER 24 HB1 SER 24 2.310 -8.696 4.814 190 HG SER 24 HG SER 24 0.217 -9.090 5.177 191 H ASN 25 HN ASN 25 4.313 -11.230 4.179 192 HA ASN 25 HA ASN 25 6.134 -9.519 3.030 193 1HB ASN 25 HB2 ASN 25 6.216 -12.329 3.966 194 2HB ASN 25 HB1 ASN 25 7.529 -11.830 2.905 195 1HD2 ASN 25 HD21 ASN 25 5.823 -11.003 5.872 196 2HD2 ASN 25 HD22 ASN 25 7.167 -10.240 6.645 197 H GLN 26 HN GLN 26 4.706 -12.436 1.608 198 HA GLN 26 HA GLN 26 6.154 -12.378 -0.808 199 1HB GLN 26 HB2 GLN 26 3.639 -13.680 0.128 200 2HB GLN 26 HB1 GLN 26 3.949 -13.631 -1.602 201 1HG GLN 26 HG2 GLN 26 6.142 -14.709 -1.187 202 2HG GLN 26 HG1 GLN 26 5.698 -14.861 0.514 203 1HE2 GLN 26 HE21 GLN 26 5.434 -16.184 -2.606 204 2HE2 GLN 26 HE22 GLN 26 4.377 -17.494 -2.219 205 H LEU 27 HN LEU 27 3.022 -11.015 0.123 206 HA LEU 27 HA LEU 27 2.231 -10.022 -2.351 207 1HB LEU 27 HB2 LEU 27 1.251 -9.924 0.223 208 2HB LEU 27 HB1 LEU 27 1.614 -8.240 -0.115 209 HG LEU 27 HG LEU 27 -0.179 -10.012 -1.775 210 1HD1 LEU 27 HD11 LEU 27 -1.116 -7.608 -0.298 211 2HD1 LEU 27 HD12 LEU 27 -0.869 -9.109 0.595 212 3HD1 LEU 27 HD13 LEU 27 -1.995 -9.064 -0.762 213 1HD2 LEU 27 HD21 LEU 27 0.895 -8.387 -3.182 214 2HD2 LEU 27 HD22 LEU 27 0.547 -7.098 -2.030 215 3HD2 LEU 27 HD23 LEU 27 -0.771 -7.881 -2.903 216 H ILE 28 HN ILE 28 4.174 -8.441 0.194 217 HA ILE 28 HA ILE 28 4.538 -6.020 -1.190 218 HB ILE 28 HB ILE 28 5.188 -6.913 1.311 219 1HG1 ILE 28 HG12 ILE 28 6.440 -4.634 1.432 220 2HG1 ILE 28 HG11 ILE 28 5.932 -4.458 -0.247 221 1HG2 ILE 28 HG21 ILE 28 7.832 -6.359 -0.013 222 2HG2 ILE 28 HG22 ILE 28 7.243 -7.985 0.334 223 3HG2 ILE 28 HG23 ILE 28 7.533 -6.853 1.654 224 1HD1 ILE 28 HD11 ILE 28 4.042 -3.608 0.532 225 2HD1 ILE 28 HD12 ILE 28 4.429 -4.089 2.184 226 3HD1 ILE 28 HD13 ILE 28 3.632 -5.227 1.098 227 H ASN 29 HN ASN 29 6.255 -9.078 -1.274 228 HA ASN 29 HA ASN 29 8.522 -8.206 -2.713 229 1HB ASN 29 HB2 ASN 29 7.794 -10.557 -1.545 230 2HB ASN 29 HB1 ASN 29 7.564 -10.951 -3.247 231 1HD2 ASN 29 HD21 ASN 29 9.332 -10.995 -4.620 232 2HD2 ASN 29 HD22 ASN 29 10.956 -11.029 -4.033 233 H HIS 30 HN HIS 30 5.402 -9.545 -3.710 234 HA HIS 30 HA HIS 30 5.878 -9.629 -6.470 235 1HB HIS 30 HB2 HIS 30 3.497 -9.651 -4.711 236 2HB HIS 30 HB1 HIS 30 3.214 -9.120 -6.367 237 HD1 HIS 30 HD1 HIS 30 5.149 -12.010 -4.796 238 HD2 HIS 30 HD2 HIS 30 2.470 -11.222 -7.872 239 HE1 HIS 30 HE1 HIS 30 4.742 -14.224 -5.916 240 HE2 HIS 30 HE2 HIS 30 3.044 -13.739 -7.712 241 H ILE 31 HN ILE 31 4.522 -7.091 -4.402 242 HA ILE 31 HA ILE 31 3.951 -5.199 -6.367 243 HB ILE 31 HB ILE 31 4.861 -4.780 -3.516 244 1HG1 ILE 31 HG12 ILE 31 2.112 -4.565 -4.764 245 2HG1 ILE 31 HG11 ILE 31 2.697 -5.977 -3.886 246 1HG2 ILE 31 HG21 ILE 31 3.901 -2.491 -3.777 247 2HG2 ILE 31 HG22 ILE 31 3.803 -2.787 -5.513 248 3HG2 ILE 31 HG23 ILE 31 5.372 -2.769 -4.708 249 1HD1 ILE 31 HD11 ILE 31 3.149 -4.036 -2.065 250 2HD1 ILE 31 HD12 ILE 31 1.672 -4.995 -2.154 251 3HD1 ILE 31 HD13 ILE 31 1.729 -3.393 -2.889 252 H GLU 32 HN GLU 32 6.926 -5.620 -4.454 253 HA GLU 32 HA GLU 32 8.447 -3.599 -5.580 254 1HB GLU 32 HB2 GLU 32 9.162 -6.262 -4.392 255 2HB GLU 32 HB1 GLU 32 10.413 -5.228 -5.068 256 1HG GLU 32 HG2 GLU 32 9.719 -3.429 -3.537 257 2HG GLU 32 HG1 GLU 32 8.527 -4.523 -2.829 258 H GLN 33 HN GLN 33 8.014 -6.937 -6.688 259 HA GLN 33 HA GLN 33 9.804 -6.878 -8.835 260 1HB GLN 33 HB2 GLN 33 7.436 -8.515 -8.094 261 2HB GLN 33 HB1 GLN 33 7.962 -8.586 -9.770 262 1HG GLN 33 HG2 GLN 33 10.199 -9.247 -9.036 263 2HG GLN 33 HG1 GLN 33 9.658 -9.190 -7.358 264 1HE2 GLN 33 HE21 GLN 33 10.210 -11.177 -9.915 265 2HE2 GLN 33 HE22 GLN 33 9.205 -12.510 -9.469 266 H PHE 34 HN PHE 34 6.344 -6.120 -8.695 267 HA PHE 34 HA PHE 34 5.909 -5.517 -11.359 268 1HB PHE 34 HB2 PHE 34 4.670 -4.533 -8.812 269 2HB PHE 34 HB1 PHE 34 4.189 -3.822 -10.349 270 HD1 PHE 34 HD1 PHE 34 3.268 -6.147 -8.019 271 HD2 PHE 34 HD2 PHE 34 3.795 -5.777 -12.225 272 HE1 PHE 34 HE1 PHE 34 1.693 -8.005 -8.376 273 HE2 PHE 34 HE2 PHE 34 2.221 -7.634 -12.590 274 HZ PHE 34 HZ PHE 34 1.168 -8.749 -10.664 275 H LEU 35 HN LEU 35 7.470 -3.604 -8.866 276 HA LEU 35 HA LEU 35 7.480 -1.159 -10.345 277 1HB LEU 35 HB2 LEU 35 8.965 -2.139 -7.922 278 2HB LEU 35 HB1 LEU 35 9.316 -0.576 -8.643 279 HG LEU 35 HG LEU 35 6.492 -1.212 -7.914 280 1HD1 LEU 35 HD11 LEU 35 8.178 0.056 -5.840 281 2HD1 LEU 35 HD12 LEU 35 8.306 -1.693 -6.023 282 3HD1 LEU 35 HD13 LEU 35 6.742 -0.955 -5.677 283 1HD2 LEU 35 HD21 LEU 35 8.059 1.345 -7.671 284 2HD2 LEU 35 HD22 LEU 35 6.308 1.137 -7.665 285 3HD2 LEU 35 HD23 LEU 35 7.223 0.861 -9.146 286 H ASP 36 HN ASP 36 9.324 -4.016 -10.479 287 HA ASP 36 HA ASP 36 11.802 -2.963 -11.376 288 1HB ASP 36 HB2 ASP 36 11.279 -5.341 -10.520 289 2HB ASP 36 HB1 ASP 36 10.747 -5.670 -12.167 290 H THR 37 HN THR 37 8.791 -2.968 -12.789 291 HA THR 37 HA THR 37 9.949 -2.568 -15.460 292 HB THR 37 HB THR 37 7.288 -3.311 -15.880 293 HG1 THR 37 HG1 THR 37 7.077 -4.298 -13.903 294 1HG2 THR 37 HG21 THR 37 8.205 -5.092 -17.135 295 2HG2 THR 37 HG22 THR 37 9.642 -5.172 -16.117 296 3HG2 THR 37 HG23 THR 37 9.406 -3.803 -17.202 297 H ASN 38 HN ASN 38 9.758 -0.505 -15.954 298 HA ASN 38 HA ASN 38 7.862 1.222 -14.671 299 1HB ASN 38 HB2 ASN 38 10.231 1.833 -15.412 300 2HB ASN 38 HB1 ASN 38 9.577 1.938 -17.045 301 1HD2 ASN 38 HD21 ASN 38 8.705 3.789 -17.664 302 2HD2 ASN 38 HD22 ASN 38 8.295 5.106 -16.625 303 H GLU 39 HN GLU 39 6.144 -0.395 -15.659 304 HA GLU 39 HA GLU 39 5.174 0.807 -18.168 305 1HB GLU 39 HB2 GLU 39 5.147 -2.012 -17.180 306 2HB GLU 39 HB1 GLU 39 3.828 -1.467 -18.204 307 1HG GLU 39 HG2 GLU 39 6.689 -1.095 -19.008 308 2HG GLU 39 HG1 GLU 39 5.826 -2.602 -19.314 309 H THR 40 HN THR 40 3.068 1.484 -18.269 310 HA THR 40 HA THR 40 1.816 2.326 -15.926 311 HB THR 40 HB THR 40 0.286 1.870 -18.475 312 HG1 THR 40 HG1 THR 40 1.635 4.281 -18.127 313 1HG2 THR 40 HG21 THR 40 0.192 4.011 -16.346 314 2HG2 THR 40 HG22 THR 40 -0.978 2.711 -16.573 315 3HG2 THR 40 HG23 THR 40 -0.811 3.970 -17.797 316 HA PRO 41 HA PRO 41 -1.322 -1.397 -16.578 317 1HB PRO 41 HB2 PRO 41 0.521 -3.363 -17.816 318 2HB PRO 41 HB1 PRO 41 -1.182 -3.039 -18.164 319 1HG PRO 41 HG2 PRO 41 0.734 -2.258 -19.847 320 2HG PRO 41 HG1 PRO 41 -0.694 -1.249 -19.551 321 1HD PRO 41 HD2 PRO 41 2.086 -0.961 -18.482 322 2HD PRO 41 HD1 PRO 41 0.957 0.291 -19.038 323 H TYR 42 HN TYR 42 2.042 -1.545 -15.777 324 HA TYR 42 HA TYR 42 1.727 -3.772 -13.948 325 1HB TYR 42 HB2 TYR 42 4.032 -2.062 -14.817 326 2HB TYR 42 HB1 TYR 42 4.169 -3.053 -13.369 327 HD1 TYR 42 HD1 TYR 42 3.068 -3.393 -16.929 328 HD2 TYR 42 HD2 TYR 42 5.047 -5.170 -13.609 329 HE1 TYR 42 HE1 TYR 42 3.638 -5.339 -18.319 330 HE2 TYR 42 HE2 TYR 42 5.625 -7.121 -14.991 331 HH TYR 42 HH TYR 42 4.199 -7.759 -17.959 332 H PHE 43 HN PHE 43 2.119 -0.269 -13.796 333 HA PHE 43 HA PHE 43 2.392 -0.114 -10.977 334 1HB PHE 43 HB2 PHE 43 1.740 1.852 -13.143 335 2HB PHE 43 HB1 PHE 43 1.542 2.320 -11.455 336 HD1 PHE 43 HD1 PHE 43 3.801 2.073 -14.162 337 HD2 PHE 43 HD2 PHE 43 3.586 1.943 -9.914 338 HE1 PHE 43 HE1 PHE 43 6.204 2.586 -14.029 339 HE2 PHE 43 HE2 PHE 43 5.987 2.457 -9.773 340 HZ PHE 43 HZ PHE 43 7.300 2.779 -11.831 341 H MET 44 HN MET 44 -0.313 -0.500 -13.080 342 HA MET 44 HA MET 44 -2.329 0.475 -11.324 343 1HB MET 44 HB2 MET 44 -2.423 -1.407 -13.683 344 2HB MET 44 HB1 MET 44 -3.859 -0.905 -12.801 345 1HG MET 44 HG2 MET 44 -3.456 1.403 -13.388 346 2HG MET 44 HG1 MET 44 -1.951 0.960 -14.191 347 1HE MET 44 HE1 MET 44 -4.565 2.623 -15.494 348 2HE MET 44 HE2 MET 44 -4.361 1.995 -17.130 349 3HE MET 44 HE3 MET 44 -2.948 2.442 -16.174 350 H LYS 45 HN LYS 45 -0.662 -2.555 -11.712 351 HA LYS 45 HA LYS 45 -2.465 -4.093 -10.103 352 1HB LYS 45 HB2 LYS 45 -0.542 -4.750 -11.895 353 2HB LYS 45 HB1 LYS 45 0.332 -5.010 -10.389 354 1HG LYS 45 HG2 LYS 45 -0.798 -6.876 -9.928 355 2HG LYS 45 HG1 LYS 45 -2.346 -6.161 -10.381 356 1HD LYS 45 HD2 LYS 45 -1.736 -6.488 -12.767 357 2HD LYS 45 HD1 LYS 45 -0.275 -7.326 -12.241 358 1HE LYS 45 HE2 LYS 45 -1.891 -8.830 -10.905 359 2HE LYS 45 HE1 LYS 45 -3.139 -8.166 -11.958 360 1HZ LYS 45 HZ1 LYS 45 -1.864 -8.948 -13.873 361 2HZ LYS 45 HZ2 LYS 45 -2.286 -10.226 -12.848 362 3HZ LYS 45 HZ3 LYS 45 -0.706 -9.623 -12.841 363 H SER 46 HN SER 46 0.363 -2.132 -9.536 364 HA SER 46 HA SER 46 0.994 -3.134 -6.955 365 1HB SER 46 HB2 SER 46 1.568 -0.346 -7.971 366 2HB SER 46 HB1 SER 46 2.467 -1.262 -6.758 367 HG SER 46 HG SER 46 2.463 -2.753 -8.898 368 H ILE 47 HN ILE 47 -0.753 -0.221 -8.036 369 HA ILE 47 HA ILE 47 -1.528 0.691 -5.518 370 HB ILE 47 HB ILE 47 -3.149 0.951 -8.054 371 1HG1 ILE 47 HG12 ILE 47 -1.357 3.147 -7.219 372 2HG1 ILE 47 HG11 ILE 47 -0.549 1.702 -7.821 373 1HG2 ILE 47 HG21 ILE 47 -3.057 2.533 -5.496 374 2HG2 ILE 47 HG22 ILE 47 -4.426 1.662 -6.186 375 3HG2 ILE 47 HG23 ILE 47 -3.823 3.119 -6.972 376 1HD1 ILE 47 HD11 ILE 47 -2.030 1.859 -9.845 377 2HD1 ILE 47 HD12 ILE 47 -0.838 3.147 -9.661 378 3HD1 ILE 47 HD13 ILE 47 -2.528 3.445 -9.253 379 H ASP 48 HN ASP 48 -3.063 -1.607 -7.723 380 HA ASP 48 HA ASP 48 -5.422 -2.004 -6.228 381 1HB ASP 48 HB2 ASP 48 -4.451 -2.908 -8.649 382 2HB ASP 48 HB1 ASP 48 -4.466 -4.371 -7.666 383 H CYS 49 HN CYS 49 -2.191 -3.106 -5.847 384 HA CYS 49 HA CYS 49 -2.829 -5.311 -4.102 385 1HB CYS 49 HB2 CYS 49 -0.326 -4.033 -5.109 386 2HB CYS 49 HB1 CYS 49 -0.232 -4.983 -3.629 387 HG CYS 49 HG CYS 49 -1.093 -7.349 -4.774 388 H ILE 50 HN ILE 50 -1.745 -1.966 -3.788 389 HA ILE 50 HA ILE 50 -1.427 -2.060 -0.957 390 HB ILE 50 HB ILE 50 -0.695 -0.284 -2.913 391 1HG1 ILE 50 HG12 ILE 50 -0.836 0.662 -0.075 392 2HG1 ILE 50 HG11 ILE 50 0.115 -0.771 -0.462 393 1HG2 ILE 50 HG21 ILE 50 -2.729 1.176 -1.244 394 2HG2 ILE 50 HG22 ILE 50 -3.027 0.626 -2.893 395 3HG2 ILE 50 HG23 ILE 50 -1.762 1.813 -2.574 396 1HD1 ILE 50 HD11 ILE 50 0.709 1.349 -2.304 397 2HD1 ILE 50 HD12 ILE 50 1.781 0.475 -1.210 398 3HD1 ILE 50 HD13 ILE 50 0.904 1.895 -0.638 399 H ARG 51 HN ARG 51 -4.091 -1.592 -3.106 400 HA ARG 51 HA ARG 51 -5.819 -0.333 -1.181 401 1HB ARG 51 HB2 ARG 51 -6.149 -1.410 -3.955 402 2HB ARG 51 HB1 ARG 51 -7.578 -1.090 -2.983 403 1HG ARG 51 HG2 ARG 51 -5.635 1.098 -3.017 404 2HG ARG 51 HG1 ARG 51 -6.342 0.718 -4.589 405 1HD ARG 51 HD2 ARG 51 -7.931 2.160 -3.847 406 2HD ARG 51 HD1 ARG 51 -8.568 0.680 -3.132 407 HE ARG 51 HE ARG 51 -6.882 2.574 -1.626 408 1HH1 ARG 51 HH11 ARG 51 -9.675 0.508 -1.901 409 2HH1 ARG 51 HH12 ARG 51 -10.199 0.784 -0.274 410 1HH2 ARG 51 HH21 ARG 51 -7.565 2.942 0.516 411 2HH2 ARG 51 HH22 ARG 51 -9.000 2.168 1.100 412 H ALA 52 HN ALA 52 -5.082 -3.572 -2.210 413 HA ALA 52 HA ALA 52 -7.359 -4.761 -0.883 414 1HB ALA 52 HB1 ALA 52 -4.901 -6.044 -2.078 415 2HB ALA 52 HB2 ALA 52 -6.449 -5.808 -2.891 416 3HB ALA 52 HB3 ALA 52 -6.335 -6.899 -1.510 417 H PHE 53 HN PHE 53 -3.949 -4.225 -0.280 418 HA PHE 53 HA PHE 53 -3.828 -5.775 2.115 419 1HB PHE 53 HB2 PHE 53 -1.923 -4.888 0.496 420 2HB PHE 53 HB1 PHE 53 -1.928 -3.525 1.612 421 HD1 PHE 53 HD1 PHE 53 -2.199 -4.568 4.211 422 HD2 PHE 53 HD2 PHE 53 -0.176 -6.301 0.893 423 HE1 PHE 53 HE1 PHE 53 -0.758 -5.828 5.755 424 HE2 PHE 53 HE2 PHE 53 1.269 -7.567 2.431 425 HZ PHE 53 HZ PHE 53 0.979 -7.329 4.865 426 H ARG 54 HN ARG 54 -4.015 -2.280 1.447 427 HA ARG 54 HA ARG 54 -4.012 -1.328 4.038 428 1HB ARG 54 HB2 ARG 54 -5.167 -0.348 1.474 429 2HB ARG 54 HB1 ARG 54 -5.669 0.451 2.958 430 1HG ARG 54 HG2 ARG 54 -3.232 0.777 3.482 431 2HG ARG 54 HG1 ARG 54 -2.890 0.216 1.843 432 1HD ARG 54 HD2 ARG 54 -4.627 2.043 1.165 433 2HD ARG 54 HD1 ARG 54 -4.249 2.717 2.752 434 HE ARG 54 HE ARG 54 -1.937 2.117 1.144 435 1HH1 ARG 54 HH11 ARG 54 -4.352 4.501 1.934 436 2HH1 ARG 54 HH12 ARG 54 -3.380 5.840 1.423 437 1HH2 ARG 54 HH21 ARG 54 -0.652 3.876 0.470 438 2HH2 ARG 54 HH22 ARG 54 -1.278 5.486 0.591 439 H GLU 55 HN GLU 55 -6.743 -2.557 2.158 440 HA GLU 55 HA GLU 55 -8.729 -1.924 4.071 441 1HB GLU 55 HB2 GLU 55 -8.796 -2.760 1.506 442 2HB GLU 55 HB1 GLU 55 -9.165 -4.272 2.324 443 1HG GLU 55 HG2 GLU 55 -11.045 -3.229 3.451 444 2HG GLU 55 HG1 GLU 55 -10.661 -1.686 2.692 445 H GLU 56 HN GLU 56 -7.003 -4.955 3.364 446 HA GLU 56 HA GLU 56 -8.296 -6.482 5.360 447 1HB GLU 56 HB2 GLU 56 -5.756 -6.822 3.797 448 2HB GLU 56 HB1 GLU 56 -6.193 -7.960 5.066 449 1HG GLU 56 HG2 GLU 56 -8.340 -7.403 3.161 450 2HG GLU 56 HG1 GLU 56 -6.915 -8.163 2.455 451 H ALA 57 HN ALA 57 -5.515 -4.362 5.462 452 HA ALA 57 HA ALA 57 -4.663 -5.338 8.054 453 1HB ALA 57 HB1 ALA 57 -3.646 -3.075 6.345 454 2HB ALA 57 HB2 ALA 57 -2.953 -4.690 6.487 455 3HB ALA 57 HB3 ALA 57 -2.923 -3.593 7.868 456 H ILE 58 HN ILE 58 -5.726 -2.182 6.770 457 HA ILE 58 HA ILE 58 -5.907 -0.850 9.202 458 HB ILE 58 HB ILE 58 -7.530 -0.438 6.691 459 1HG1 ILE 58 HG12 ILE 58 -5.283 1.280 7.722 460 2HG1 ILE 58 HG11 ILE 58 -4.959 -0.150 6.743 461 1HG2 ILE 58 HG21 ILE 58 -7.898 1.870 7.654 462 2HG2 ILE 58 HG22 ILE 58 -7.354 1.214 9.199 463 3HG2 ILE 58 HG23 ILE 58 -8.796 0.560 8.421 464 1HD1 ILE 58 HD11 ILE 58 -6.699 0.958 5.127 465 2HD1 ILE 58 HD12 ILE 58 -5.010 1.469 5.139 466 3HD1 ILE 58 HD13 ILE 58 -6.227 2.426 5.984 467 H LYS 59 HN LYS 59 -8.370 -2.765 7.507 468 HA LYS 59 HA LYS 59 -10.559 -2.271 9.095 469 1HB LYS 59 HB2 LYS 59 -9.671 -4.577 7.457 470 2HB LYS 59 HB1 LYS 59 -10.945 -4.891 8.625 471 1HG LYS 59 HG2 LYS 59 -11.417 -2.473 7.083 472 2HG LYS 59 HG1 LYS 59 -11.282 -3.919 6.077 473 1HD LYS 59 HD2 LYS 59 -13.035 -5.008 7.267 474 2HD LYS 59 HD1 LYS 59 -13.045 -3.759 8.515 475 1HE LYS 59 HE2 LYS 59 -14.875 -3.190 7.214 476 2HE LYS 59 HE1 LYS 59 -13.606 -2.153 6.567 477 1HZ LYS 59 HZ1 LYS 59 -14.361 -2.996 4.633 478 2HZ LYS 59 HZ2 LYS 59 -14.965 -4.412 5.336 479 3HZ LYS 59 HZ3 LYS 59 -13.312 -4.269 5.009 480 H PHE 60 HN PHE 60 -8.053 -4.769 9.628 481 HA PHE 60 HA PHE 60 -8.109 -4.481 12.425 482 1HB PHE 60 HB2 PHE 60 -9.079 -6.956 12.715 483 2HB PHE 60 HB1 PHE 60 -10.102 -5.524 12.790 484 HD1 PHE 60 HD1 PHE 60 -12.082 -5.668 11.675 485 HD2 PHE 60 HD2 PHE 60 -8.726 -7.785 10.137 486 HE1 PHE 60 HE1 PHE 60 -13.479 -6.556 9.856 487 HE2 PHE 60 HE2 PHE 60 -10.117 -8.675 8.314 488 HZ PHE 60 HZ PHE 60 -12.497 -8.059 8.172 489 H SER 61 HN SER 61 -5.865 -4.512 11.935 490 HA SER 61 HA SER 61 -4.678 -7.047 12.318 491 1HB SER 61 HB2 SER 61 -5.284 -7.014 9.809 492 2HB SER 61 HB1 SER 61 -3.953 -5.869 9.650 493 HG SER 61 HG SER 61 -3.821 -8.505 9.765 494 H GLU 62 HN GLU 62 -2.986 -4.827 10.271 495 HA GLU 62 HA GLU 62 -1.630 -3.681 12.607 496 1HB GLU 62 HB2 GLU 62 -0.331 -5.058 10.262 497 2HB GLU 62 HB1 GLU 62 0.541 -3.942 11.307 498 1HG GLU 62 HG2 GLU 62 -0.866 -5.924 12.854 499 2HG GLU 62 HG1 GLU 62 0.204 -6.674 11.669 500 H GLU 63 HN GLU 63 -3.301 -2.069 11.722 501 HA GLU 63 HA GLU 63 -2.960 -0.655 9.364 502 1HB GLU 63 HB2 GLU 63 -3.990 1.278 10.620 503 2HB GLU 63 HB1 GLU 63 -4.895 -0.230 10.676 504 1HG GLU 63 HG2 GLU 63 -3.047 -0.054 12.879 505 2HG GLU 63 HG1 GLU 63 -4.113 1.351 12.825 506 H GLN 64 HN GLN 64 -1.173 -0.394 12.380 507 HA GLN 64 HA GLN 64 0.168 2.042 11.724 508 1HB GLN 64 HB2 GLN 64 0.795 -0.119 13.745 509 2HB GLN 64 HB1 GLN 64 1.692 1.387 13.611 510 1HG GLN 64 HG2 GLN 64 -0.225 2.668 14.220 511 2HG GLN 64 HG1 GLN 64 -1.266 1.248 14.128 512 1HE2 GLN 64 HE21 GLN 64 1.032 2.998 16.008 513 2HE2 GLN 64 HE22 GLN 64 0.900 2.053 17.448 514 H ARG 65 HN ARG 65 0.681 -1.273 10.891 515 HA ARG 65 HA ARG 65 3.474 -1.025 10.313 516 1HB ARG 65 HB2 ARG 65 3.409 -3.242 9.891 517 2HB ARG 65 HB1 ARG 65 1.820 -3.156 10.629 518 1HG ARG 65 HG2 ARG 65 0.772 -3.024 8.457 519 2HG ARG 65 HG1 ARG 65 2.351 -2.969 7.670 520 1HD ARG 65 HD2 ARG 65 1.785 -5.249 9.486 521 2HD ARG 65 HD1 ARG 65 0.970 -5.225 7.920 522 HE ARG 65 HE ARG 65 3.337 -4.941 7.010 523 1HH1 ARG 65 HH11 ARG 65 2.572 -6.706 9.917 524 2HH1 ARG 65 HH12 ARG 65 3.936 -7.763 9.787 525 1HH2 ARG 65 HH21 ARG 65 5.137 -6.330 6.833 526 2HH2 ARG 65 HH22 ARG 65 5.395 -7.550 8.036 527 H PHE 66 HN PHE 66 0.617 -0.034 8.806 528 HA PHE 66 HA PHE 66 1.740 -0.019 6.124 529 1HB PHE 66 HB2 PHE 66 -0.871 -0.175 7.094 530 2HB PHE 66 HB1 PHE 66 -0.748 1.449 6.414 531 HD1 PHE 66 HD1 PHE 66 -1.735 -1.730 5.654 532 HD2 PHE 66 HD2 PHE 66 0.706 1.383 4.086 533 HE1 PHE 66 HE1 PHE 66 -1.988 -2.671 3.396 534 HE2 PHE 66 HE2 PHE 66 0.452 0.451 1.826 535 HZ PHE 66 HZ PHE 66 -0.895 -1.581 1.478 536 H ASN 67 HN ASN 67 0.701 2.274 8.627 537 HA ASN 67 HA ASN 67 1.484 4.576 7.116 538 1HB ASN 67 HB2 ASN 67 1.468 5.595 9.566 539 2HB ASN 67 HB1 ASN 67 -0.033 5.239 8.724 540 1HD2 ASN 67 HD21 ASN 67 -1.438 3.953 9.687 541 2HD2 ASN 67 HD22 ASN 67 -1.132 3.035 11.115 542 H ASN 68 HN ASN 68 3.025 2.242 9.019 543 HA ASN 68 HA ASN 68 5.344 3.727 9.780 544 1HB ASN 68 HB2 ASN 68 4.819 1.667 10.953 545 2HB ASN 68 HB1 ASN 68 4.916 0.746 9.456 546 1HD2 ASN 68 HD21 ASN 68 6.808 -0.100 8.886 547 2HD2 ASN 68 HD22 ASN 68 8.318 0.219 9.662 548 H PHE 69 HN PHE 69 4.890 1.197 7.315 549 HA PHE 69 HA PHE 69 7.272 1.800 5.922 550 1HB PHE 69 HB2 PHE 69 5.662 -0.304 5.860 551 2HB PHE 69 HB1 PHE 69 4.967 0.558 4.486 552 HD1 PHE 69 HD1 PHE 69 6.179 0.805 2.432 553 HD2 PHE 69 HD2 PHE 69 7.952 -1.130 5.783 554 HE1 PHE 69 HE1 PHE 69 7.962 -0.068 0.979 555 HE2 PHE 69 HE2 PHE 69 9.739 -2.007 4.336 556 HZ PHE 69 HZ PHE 69 9.746 -1.475 1.931 557 H LEU 70 HN LEU 70 4.084 3.135 5.781 558 HA LEU 70 HA LEU 70 4.232 4.320 3.211 559 1HB LEU 70 HB2 LEU 70 2.421 4.405 5.467 560 2HB LEU 70 HB1 LEU 70 2.644 6.007 4.789 561 HG LEU 70 HG LEU 70 1.592 3.555 3.382 562 1HD1 LEU 70 HD11 LEU 70 0.007 5.891 3.071 563 2HD1 LEU 70 HD12 LEU 70 0.376 5.693 4.785 564 3HD1 LEU 70 HD13 LEU 70 -0.398 4.384 3.893 565 1HD2 LEU 70 HD21 LEU 70 2.982 4.595 1.772 566 2HD2 LEU 70 HD22 LEU 70 2.455 6.207 2.252 567 3HD2 LEU 70 HD23 LEU 70 1.337 5.125 1.421 568 H LYS 71 HN LYS 71 4.908 5.588 6.457 569 HA LYS 71 HA LYS 71 5.638 8.171 5.715 570 1HB LYS 71 HB2 LYS 71 6.386 6.418 8.039 571 2HB LYS 71 HB1 LYS 71 7.088 8.020 7.859 572 1HG LYS 71 HG2 LYS 71 4.890 9.029 7.929 573 2HG LYS 71 HG1 LYS 71 4.138 7.433 8.010 574 1HD LYS 71 HD2 LYS 71 5.083 7.020 10.164 575 2HD LYS 71 HD1 LYS 71 6.095 8.461 10.059 576 1HE LYS 71 HE2 LYS 71 4.031 9.840 10.001 577 2HE LYS 71 HE1 LYS 71 3.086 8.373 10.250 578 1HZ LYS 71 HZ1 LYS 71 4.282 8.040 12.349 579 2HZ LYS 71 HZ2 LYS 71 3.425 9.498 12.333 580 3HZ LYS 71 HZ3 LYS 71 5.102 9.502 12.116 581 H ALA 72 HN ALA 72 7.566 5.207 5.897 582 HA ALA 72 HA ALA 72 10.033 6.518 5.265 583 1HB ALA 72 HB1 ALA 72 9.350 3.588 5.059 584 2HB ALA 72 HB2 ALA 72 9.922 4.397 6.519 585 3HB ALA 72 HB3 ALA 72 10.966 4.294 5.101 586 H LEU 73 HN LEU 73 7.724 4.567 3.424 587 HA LEU 73 HA LEU 73 9.075 4.482 0.992 588 1HB LEU 73 HB2 LEU 73 7.199 3.070 1.294 589 2HB LEU 73 HB1 LEU 73 6.148 4.419 1.685 590 HG LEU 73 HG LEU 73 6.580 5.183 -0.751 591 1HD1 LEU 73 HD11 LEU 73 7.045 3.344 -2.300 592 2HD1 LEU 73 HD12 LEU 73 7.358 2.276 -0.932 593 3HD1 LEU 73 HD13 LEU 73 8.412 3.658 -1.230 594 1HD2 LEU 73 HD21 LEU 73 4.409 4.571 -0.308 595 2HD2 LEU 73 HD22 LEU 73 4.855 2.941 0.194 596 3HD2 LEU 73 HD23 LEU 73 4.863 3.370 -1.516 597 H GLN 74 HN GLN 74 6.602 6.791 2.082 598 HA GLN 74 HA GLN 74 6.445 8.393 -0.157 599 1HB GLN 74 HB2 GLN 74 4.967 8.631 1.780 600 2HB GLN 74 HB1 GLN 74 6.303 9.256 2.736 601 1HG GLN 74 HG2 GLN 74 5.785 10.700 0.236 602 2HG GLN 74 HG1 GLN 74 4.494 10.782 1.433 603 1HE2 GLN 74 HE21 GLN 74 5.917 13.012 0.636 604 2HE2 GLN 74 HE22 GLN 74 6.869 13.581 1.961 605 H GLU 75 HN GLU 75 8.647 8.796 2.613 606 HA GLU 75 HA GLU 75 9.981 11.061 1.588 607 1HB GLU 75 HB2 GLU 75 10.642 9.018 3.682 608 2HB GLU 75 HB1 GLU 75 11.839 10.216 3.208 609 1HG GLU 75 HG2 GLU 75 10.384 12.009 3.869 610 2HG GLU 75 HG1 GLU 75 9.077 10.874 4.203 611 H LYS 76 HN LYS 76 10.733 7.606 1.431 612 HA LYS 76 HA LYS 76 13.222 7.781 0.184 613 1HB LYS 76 HB2 LYS 76 11.120 5.685 0.412 614 2HB LYS 76 HB1 LYS 76 12.384 5.449 -0.786 615 1HG LYS 76 HG2 LYS 76 14.066 5.760 1.023 616 2HG LYS 76 HG1 LYS 76 12.735 5.797 2.182 617 1HD LYS 76 HD2 LYS 76 12.046 3.550 1.386 618 2HD LYS 76 HD1 LYS 76 13.473 3.518 0.347 619 1HE LYS 76 HE2 LYS 76 14.919 3.683 2.290 620 2HE LYS 76 HE1 LYS 76 13.515 3.800 3.350 621 1HZ LYS 76 HZ1 LYS 76 12.888 1.582 2.798 622 2HZ LYS 76 HZ2 LYS 76 14.519 1.556 3.245 623 3HZ LYS 76 HZ3 LYS 76 14.089 1.464 1.612 624 H VAL 77 HN VAL 77 10.025 7.248 -1.320 625 HA VAL 77 HA VAL 77 11.038 7.389 -3.971 626 HB VAL 77 HB VAL 77 8.887 7.126 -4.736 627 1HG1 VAL 77 HG11 VAL 77 8.240 5.293 -3.648 628 2HG1 VAL 77 HG12 VAL 77 7.968 6.170 -2.143 629 3HG1 VAL 77 HG13 VAL 77 9.592 5.622 -2.564 630 1HG2 VAL 77 HG21 VAL 77 6.860 7.849 -3.426 631 2HG2 VAL 77 HG22 VAL 77 7.876 9.149 -4.046 632 3HG2 VAL 77 HG23 VAL 77 7.965 8.698 -2.344 633 H GLU 78 HN GLU 78 9.968 9.761 -1.676 634 HA GLU 78 HA GLU 78 9.397 11.903 -3.364 635 1HB GLU 78 HB2 GLU 78 9.993 11.527 -0.550 636 2HB GLU 78 HB1 GLU 78 10.707 13.015 -1.156 637 1HG GLU 78 HG2 GLU 78 8.306 13.334 -2.195 638 2HG GLU 78 HG1 GLU 78 7.854 12.251 -0.880 639 H ILE 79 HN ILE 79 12.473 10.993 -1.836 640 HA ILE 79 HA ILE 79 14.025 12.982 -3.094 641 HB ILE 79 HB ILE 79 14.932 10.276 -2.097 642 1HG1 ILE 79 HG12 ILE 79 15.578 12.573 -0.443 643 2HG1 ILE 79 HG11 ILE 79 13.836 12.412 -0.666 644 1HG2 ILE 79 HG21 ILE 79 16.467 12.788 -2.745 645 2HG2 ILE 79 HG22 ILE 79 16.602 11.216 -3.536 646 3HG2 ILE 79 HG23 ILE 79 17.137 11.412 -1.866 647 1HD1 ILE 79 HD11 ILE 79 15.750 10.442 0.533 648 2HD1 ILE 79 HD12 ILE 79 14.124 9.993 0.020 649 3HD1 ILE 79 HD13 ILE 79 14.348 11.210 1.277 650 H LYS 80 HN LYS 80 14.630 9.557 -3.733 651 HA LYS 80 HA LYS 80 14.152 9.876 -6.572 652 1HB LYS 80 HB2 LYS 80 16.476 10.750 -6.168 653 2HB LYS 80 HB1 LYS 80 16.921 9.140 -5.616 654 1HG LYS 80 HG2 LYS 80 16.906 8.263 -7.708 655 2HG LYS 80 HG1 LYS 80 15.642 9.354 -8.277 656 1HD LYS 80 HD2 LYS 80 17.639 11.114 -7.805 657 2HD LYS 80 HD1 LYS 80 18.569 9.685 -8.261 658 1HE LYS 80 HE2 LYS 80 16.789 9.590 -10.211 659 2HE LYS 80 HE1 LYS 80 16.669 11.315 -9.867 660 1HZ LYS 80 HZ1 LYS 80 19.101 11.450 -10.155 661 2HZ LYS 80 HZ2 LYS 80 18.299 10.963 -11.562 662 3HZ LYS 80 HZ3 LYS 80 19.123 9.823 -10.621 663 H GLN 81 HN GLN 81 12.927 8.137 -6.917 664 HA GLN 81 HA GLN 81 13.932 5.531 -6.842 665 1HB GLN 81 HB2 GLN 81 12.809 6.445 -4.345 666 2HB GLN 81 HB1 GLN 81 11.842 5.131 -4.999 667 1HG GLN 81 HG2 GLN 81 13.840 3.739 -5.162 668 2HG GLN 81 HG1 GLN 81 14.810 5.058 -4.507 669 1HE2 GLN 81 HE21 GLN 81 14.967 5.277 -2.363 670 2HE2 GLN 81 HE22 GLN 81 14.096 4.339 -1.204 671 H LEU 82 HN LEU 82 10.680 6.477 -5.837 672 HA LEU 82 HA LEU 82 9.686 6.082 -8.556 673 1HB LEU 82 HB2 LEU 82 7.741 4.765 -7.315 674 2HB LEU 82 HB1 LEU 82 9.160 3.962 -7.960 675 HG LEU 82 HG LEU 82 9.363 4.877 -5.158 676 1HD1 LEU 82 HD11 LEU 82 7.437 2.762 -6.065 677 2HD1 LEU 82 HD12 LEU 82 7.170 4.088 -4.933 678 3HD1 LEU 82 HD13 LEU 82 8.180 2.720 -4.467 679 1HD2 LEU 82 HD21 LEU 82 9.961 2.155 -6.243 680 2HD2 LEU 82 HD22 LEU 82 10.743 3.032 -4.928 681 3HD2 LEU 82 HD23 LEU 82 11.027 3.512 -6.601 682 H ASN 83 HN ASN 83 9.599 8.459 -8.164 683 HA ASN 83 HA ASN 83 7.713 9.524 -6.313 684 1HB ASN 83 HB2 ASN 83 9.508 10.937 -7.067 685 2HB ASN 83 HB1 ASN 83 9.048 10.711 -8.752 686 1HD2 ASN 83 HD21 ASN 83 8.358 12.345 -5.785 687 2HD2 ASN 83 HD22 ASN 83 7.217 13.472 -6.427 688 H HIS 84 HN HIS 84 7.522 8.230 -9.508 689 HA HIS 84 HA HIS 84 5.143 9.450 -10.382 690 1HB HIS 84 HB2 HIS 84 4.992 7.139 -11.692 691 2HB HIS 84 HB1 HIS 84 6.164 8.376 -12.131 692 HD1 HIS 84 HD1 HIS 84 8.446 7.499 -12.438 693 HD2 HIS 84 HD2 HIS 84 6.272 5.206 -9.738 694 HE1 HIS 84 HE1 HIS 84 9.971 5.613 -11.775 695 HE2 HIS 84 HE2 HIS 84 8.603 4.190 -10.210 696 H PHE 85 HN PHE 85 5.742 6.551 -8.457 697 HA PHE 85 HA PHE 85 3.088 5.602 -8.414 698 1HB PHE 85 HB2 PHE 85 5.200 4.358 -7.694 699 2HB PHE 85 HB1 PHE 85 5.077 5.240 -6.173 700 HD1 PHE 85 HD1 PHE 85 3.931 4.263 -4.434 701 HD2 PHE 85 HD2 PHE 85 2.985 3.129 -8.427 702 HE1 PHE 85 HE1 PHE 85 2.364 2.565 -3.577 703 HE2 PHE 85 HE2 PHE 85 1.418 1.434 -7.578 704 HZ PHE 85 HZ PHE 85 1.107 1.149 -5.152 705 H TRP 86 HN TRP 86 4.678 8.175 -6.746 706 HA TRP 86 HA TRP 86 2.745 8.377 -4.631 707 1HB TRP 86 HB2 TRP 86 5.144 9.116 -4.444 708 2HB TRP 86 HB1 TRP 86 4.752 10.455 -5.518 709 HD1 TRP 86 HD1 TRP 86 4.312 12.603 -4.238 710 HE1 TRP 86 HE1 TRP 86 3.340 13.230 -1.935 711 HE3 TRP 86 HE3 TRP 86 3.241 7.918 -2.518 712 HZ2 TRP 86 HZ2 TRP 86 2.259 11.901 0.316 713 HZ3 TRP 86 HZ3 TRP 86 2.241 7.676 -0.284 714 HH2 TRP 86 HH2 TRP 86 1.760 9.628 1.101 715 H GLU 87 HN GLU 87 3.509 10.288 -7.544 716 HA GLU 87 HA GLU 87 1.371 12.107 -7.267 717 1HB GLU 87 HB2 GLU 87 3.008 11.224 -9.641 718 2HB GLU 87 HB1 GLU 87 1.729 12.422 -9.786 719 1HG GLU 87 HG2 GLU 87 2.873 13.860 -8.193 720 2HG GLU 87 HG1 GLU 87 4.144 12.653 -8.004 721 H ILE 88 HN ILE 88 1.513 8.859 -8.185 722 HA ILE 88 HA ILE 88 -0.966 8.872 -9.705 723 HB ILE 88 HB ILE 88 0.917 6.669 -8.879 724 1HG1 ILE 88 HG12 ILE 88 -0.031 7.411 -11.643 725 2HG1 ILE 88 HG11 ILE 88 1.327 8.234 -10.879 726 1HG2 ILE 88 HG21 ILE 88 -0.720 5.316 -10.452 727 2HG2 ILE 88 HG22 ILE 88 -1.893 6.478 -9.832 728 3HG2 ILE 88 HG23 ILE 88 -1.002 5.442 -8.716 729 1HD1 ILE 88 HD11 ILE 88 2.484 6.080 -10.669 730 2HD1 ILE 88 HD12 ILE 88 2.115 6.490 -12.344 731 3HD1 ILE 88 HD13 ILE 88 1.137 5.294 -11.491 732 H VAL 89 HN VAL 89 0.156 7.120 -6.813 733 HA VAL 89 HA VAL 89 -2.261 6.244 -5.863 734 HB VAL 89 HB VAL 89 0.178 7.117 -4.318 735 1HG1 VAL 89 HG11 VAL 89 -2.424 6.023 -3.349 736 2HG1 VAL 89 HG12 VAL 89 -1.379 7.246 -2.628 737 3HG1 VAL 89 HG13 VAL 89 -0.930 5.543 -2.543 738 1HG2 VAL 89 HG21 VAL 89 0.823 4.886 -4.341 739 2HG2 VAL 89 HG22 VAL 89 0.146 5.116 -5.953 740 3HG2 VAL 89 HG23 VAL 89 -0.806 4.315 -4.704 741 H VAL 90 HN VAL 90 -0.984 9.491 -5.727 742 HA VAL 90 HA VAL 90 -2.929 10.370 -3.774 743 HB VAL 90 HB VAL 90 -0.688 11.425 -3.883 744 1HG1 VAL 90 HG11 VAL 90 -0.004 12.829 -5.636 745 2HG1 VAL 90 HG12 VAL 90 -1.607 12.828 -6.373 746 3HG1 VAL 90 HG13 VAL 90 -0.612 11.372 -6.422 747 1HG2 VAL 90 HG21 VAL 90 -2.951 13.337 -4.440 748 2HG2 VAL 90 HG22 VAL 90 -1.450 13.707 -3.592 749 3HG2 VAL 90 HG23 VAL 90 -2.610 12.585 -2.882 750 H GLN 91 HN GLN 91 -2.323 10.973 -7.225 751 HA GLN 91 HA GLN 91 -4.514 12.536 -7.808 752 1HB GLN 91 HB2 GLN 91 -2.793 10.692 -9.355 753 2HB GLN 91 HB1 GLN 91 -4.341 11.092 -10.086 754 1HG GLN 91 HG2 GLN 91 -2.807 13.367 -9.028 755 2HG GLN 91 HG1 GLN 91 -2.098 12.538 -10.411 756 1HE2 GLN 91 HE21 GLN 91 -4.134 14.957 -9.491 757 2HE2 GLN 91 HE22 GLN 91 -5.040 15.140 -10.950 758 H ASP 92 HN ASP 92 -4.369 9.072 -7.303 759 HA ASP 92 HA ASP 92 -6.969 8.501 -8.318 760 1HB ASP 92 HB2 ASP 92 -4.970 7.010 -6.654 761 2HB ASP 92 HB1 ASP 92 -6.604 6.380 -6.834 762 H GLY 93 HN GLY 93 -6.347 10.500 -5.940 763 1HA GLY 93 HA2 GLY 93 -7.718 11.380 -4.306 764 2HA GLY 93 HA1 GLY 93 -8.898 10.130 -4.687 765 H ILE 94 HN ILE 94 -6.248 8.373 -4.204 766 HA ILE 94 HA ILE 94 -7.063 7.463 -1.645 767 HB ILE 94 HB ILE 94 -4.356 6.902 -2.827 768 1HG1 ILE 94 HG12 ILE 94 -6.890 5.404 -3.512 769 2HG1 ILE 94 HG11 ILE 94 -6.194 6.645 -4.552 770 1HG2 ILE 94 HG21 ILE 94 -4.488 4.856 -1.638 771 2HG2 ILE 94 HG22 ILE 94 -6.200 5.095 -1.285 772 3HG2 ILE 94 HG23 ILE 94 -4.990 6.124 -0.520 773 1HD1 ILE 94 HD11 ILE 94 -5.529 4.499 -5.355 774 2HD1 ILE 94 HD12 ILE 94 -4.941 4.030 -3.760 775 3HD1 ILE 94 HD13 ILE 94 -4.116 5.299 -4.667 776 H THR 95 HN THR 95 -6.254 7.842 0.371 777 HA THR 95 HA THR 95 -4.037 9.762 0.599 778 HB THR 95 HB THR 95 -5.914 11.131 1.013 779 HG1 THR 95 HG1 THR 95 -5.129 11.836 2.845 780 1HG2 THR 95 HG21 THR 95 -7.556 9.282 1.236 781 2HG2 THR 95 HG22 THR 95 -7.765 10.544 2.450 782 3HG2 THR 95 HG23 THR 95 -6.991 9.020 2.885 783 H LEU 96 HN LEU 96 -3.107 9.841 2.805 784 HA LEU 96 HA LEU 96 -2.213 7.337 3.622 785 1HB LEU 96 HB2 LEU 96 -2.138 10.077 4.802 786 2HB LEU 96 HB1 LEU 96 -1.665 8.719 5.809 787 HG LEU 96 HG LEU 96 0.034 10.143 4.248 788 1HD1 LEU 96 HD11 LEU 96 0.061 7.492 5.524 789 2HD1 LEU 96 HD12 LEU 96 1.127 8.879 5.748 790 3HD1 LEU 96 HD13 LEU 96 1.351 7.807 4.365 791 1HD2 LEU 96 HD21 LEU 96 0.666 8.887 2.315 792 2HD2 LEU 96 HD22 LEU 96 -1.055 9.250 2.190 793 3HD2 LEU 96 HD23 LEU 96 -0.525 7.637 2.671 794 H ILE 97 HN ILE 97 -2.333 6.717 6.061 795 HA ILE 97 HA ILE 97 -5.003 5.854 6.545 796 HB ILE 97 HB ILE 97 -2.351 5.404 7.741 797 1HG1 ILE 97 HG12 ILE 97 -3.429 3.079 7.973 798 2HG1 ILE 97 HG11 ILE 97 -4.785 3.761 7.078 799 1HG2 ILE 97 HG21 ILE 97 -3.306 6.149 9.764 800 2HG2 ILE 97 HG22 ILE 97 -3.385 4.387 9.812 801 3HG2 ILE 97 HG23 ILE 97 -4.830 5.324 9.436 802 1HD1 ILE 97 HD11 ILE 97 -1.938 3.562 6.119 803 2HD1 ILE 97 HD12 ILE 97 -3.269 4.297 5.225 804 3HD1 ILE 97 HD13 ILE 97 -3.298 2.572 5.590 805 H THR 98 HN THR 98 -6.570 6.974 7.513 806 HA THR 98 HA THR 98 -5.829 9.231 9.237 807 HB THR 98 HB THR 98 -8.658 9.046 8.598 808 HG1 THR 98 HG1 THR 98 -8.492 8.619 6.540 809 1HG2 THR 98 HG21 THR 98 -7.073 11.262 7.515 810 2HG2 THR 98 HG22 THR 98 -6.857 10.999 9.245 811 3HG2 THR 98 HG23 THR 98 -8.469 11.288 8.592 812 H LYS 99 HN LYS 99 -6.717 9.514 11.252 813 HA LYS 99 HA LYS 99 -6.980 7.497 12.998 814 1HB LYS 99 HB2 LYS 99 -8.696 9.154 14.189 815 2HB LYS 99 HB1 LYS 99 -6.973 9.490 14.093 816 1HG LYS 99 HG2 LYS 99 -7.303 10.978 12.245 817 2HG LYS 99 HG1 LYS 99 -9.007 10.532 12.133 818 1HD LYS 99 HD2 LYS 99 -9.096 12.540 13.283 819 2HD LYS 99 HD1 LYS 99 -9.117 11.358 14.594 820 1HE LYS 99 HE2 LYS 99 -6.629 11.635 14.752 821 2HE LYS 99 HE1 LYS 99 -6.770 12.970 13.610 822 1HZ LYS 99 HZ1 LYS 99 -8.127 14.164 15.152 823 2HZ LYS 99 HZ2 LYS 99 -6.729 13.669 15.966 824 3HZ LYS 99 HZ3 LYS 99 -8.188 12.850 16.216 825 H GLU 100 HN GLU 100 -10.001 9.183 12.234 826 HA GLU 100 HA GLU 100 -11.664 7.101 13.024 827 1HB GLU 100 HB2 GLU 100 -12.391 9.423 12.802 828 2HB GLU 100 HB1 GLU 100 -12.256 9.308 11.051 829 1HG GLU 100 HG2 GLU 100 -14.139 8.018 10.852 830 2HG GLU 100 HG1 GLU 100 -14.005 7.378 12.489 831 H GLU 101 HN GLU 101 -9.958 7.500 10.042 832 HA GLU 101 HA GLU 101 -11.560 5.982 8.327 833 1HB GLU 101 HB2 GLU 101 -9.367 7.358 7.898 834 2HB GLU 101 HB1 GLU 101 -8.579 5.804 8.154 835 1HG GLU 101 HG2 GLU 101 -10.308 4.956 6.401 836 2HG GLU 101 HG1 GLU 101 -10.415 6.663 5.968 837 H ALA 102 HN ALA 102 -10.479 4.949 11.173 838 HA ALA 102 HA ALA 102 -10.603 2.147 10.374 839 1HB ALA 102 HB1 ALA 102 -8.183 2.828 10.490 840 2HB ALA 102 HB2 ALA 102 -8.642 1.494 11.550 841 3HB ALA 102 HB3 ALA 102 -8.424 3.112 12.215 842 H SER 103 HN SER 103 -10.249 4.401 13.085 843 HA SER 103 HA SER 103 -12.633 3.688 14.366 844 1HB SER 103 HB2 SER 103 -11.071 1.592 14.700 845 2HB SER 103 HB1 SER 103 -10.326 2.598 15.941 846 HG SER 103 HG SER 103 -11.919 1.569 16.997 847 H GLY 104 HN GLY 104 -12.313 4.316 16.914 848 1HA GLY 104 HA2 GLY 104 -11.542 7.049 16.890 849 2HA GLY 104 HA1 GLY 104 -12.048 6.128 18.303 850 H SER 105 HN SER 105 -9.291 6.048 16.068 851 HA SER 105 HA SER 105 -7.512 6.004 18.408 852 1HB SER 105 HB2 SER 105 -7.301 4.610 15.752 853 2HB SER 105 HB1 SER 105 -5.867 4.905 16.739 854 HG SER 105 HG SER 105 -6.953 3.769 18.441 855 H SER 106 HN SER 106 -6.088 7.591 18.642 856 HA SER 106 HA SER 106 -6.183 9.854 17.030 857 1HB SER 106 HB2 SER 106 -4.014 8.974 18.948 858 2HB SER 106 HB1 SER 106 -4.210 10.605 18.306 859 HG SER 106 HG SER 106 -5.150 10.243 20.421 860 H VAL 107 HN VAL 107 -5.193 10.443 15.279 861 HA VAL 107 HA VAL 107 -2.799 9.024 14.371 862 HB VAL 107 HB VAL 107 -5.340 9.335 12.814 863 1HG1 VAL 107 HG11 VAL 107 -2.555 9.510 11.734 864 2HG1 VAL 107 HG12 VAL 107 -3.993 10.419 11.267 865 3HG1 VAL 107 HG13 VAL 107 -3.820 8.730 10.786 866 1HG2 VAL 107 HG21 VAL 107 -3.269 7.151 12.862 867 2HG2 VAL 107 HG22 VAL 107 -4.896 7.069 12.185 868 3HG2 VAL 107 HG23 VAL 107 -4.672 7.204 13.930 869 H THR 108 HN THR 108 -1.255 10.334 13.857 870 HA THR 108 HA THR 108 -1.233 13.017 14.316 871 HB THR 108 HB THR 108 0.527 12.080 12.130 872 HG1 THR 108 HG1 THR 108 0.614 10.197 13.213 873 1HG2 THR 108 HG21 THR 108 2.236 13.096 13.592 874 2HG2 THR 108 HG22 THR 108 0.991 13.407 14.802 875 3HG2 THR 108 HG23 THR 108 0.920 14.215 13.235 876 H ALA 109 HN ALA 109 -1.288 14.875 13.116 877 HA ALA 109 HA ALA 109 -3.036 14.868 10.813 878 1HB ALA 109 HB1 ALA 109 -2.884 17.329 11.003 879 2HB ALA 109 HB2 ALA 109 -1.717 17.134 12.310 880 3HB ALA 109 HB3 ALA 109 -3.372 16.560 12.513 881 H GLU 110 HN GLU 110 0.223 14.598 11.361 882 HA GLU 110 HA GLU 110 1.144 16.068 9.028 883 1HB GLU 110 HB2 GLU 110 2.499 14.536 11.226 884 2HB GLU 110 HB1 GLU 110 3.374 14.938 9.755 885 1HG GLU 110 HG2 GLU 110 3.144 17.260 10.144 886 2HG GLU 110 HG1 GLU 110 1.970 16.996 11.432 887 H GLU 111 HN GLU 111 -0.011 12.990 9.813 888 HA GLU 111 HA GLU 111 1.479 11.566 7.787 889 1HB GLU 111 HB2 GLU 111 1.023 10.166 9.576 890 2HB GLU 111 HB1 GLU 111 -0.587 10.833 9.825 891 1HG GLU 111 HG2 GLU 111 -1.512 9.574 8.122 892 2HG GLU 111 HG1 GLU 111 0.049 9.265 7.364 893 H ALA 112 HN ALA 112 -1.883 12.647 8.285 894 HA ALA 112 HA ALA 112 -2.614 11.713 5.646 895 1HB ALA 112 HB1 ALA 112 -4.297 11.290 7.175 896 2HB ALA 112 HB2 ALA 112 -4.866 12.744 6.354 897 3HB ALA 112 HB3 ALA 112 -4.125 12.864 7.951 898 H LYS 113 HN LYS 113 -2.266 14.832 7.309 899 HA LYS 113 HA LYS 113 -3.153 16.283 4.973 900 1HB LYS 113 HB2 LYS 113 -3.032 16.819 7.712 901 2HB LYS 113 HB1 LYS 113 -1.895 17.940 6.974 902 1HG LYS 113 HG2 LYS 113 -3.611 18.804 5.527 903 2HG LYS 113 HG1 LYS 113 -4.758 17.598 6.113 904 1HD LYS 113 HD2 LYS 113 -3.736 18.924 8.383 905 2HD LYS 113 HD1 LYS 113 -4.132 20.171 7.198 906 1HE LYS 113 HE2 LYS 113 -6.373 19.101 6.938 907 2HE LYS 113 HE1 LYS 113 -5.957 18.026 8.273 908 1HZ LYS 113 HZ1 LYS 113 -5.680 19.983 9.688 909 2HZ LYS 113 HZ2 LYS 113 -7.248 19.887 9.061 910 3HZ LYS 113 HZ3 LYS 113 -6.142 20.987 8.406 911 H LYS 114 HN LYS 114 -0.046 15.927 6.704 912 HA LYS 114 HA LYS 114 1.360 17.740 5.060 913 1HB LYS 114 HB2 LYS 114 1.940 16.415 7.355 914 2HB LYS 114 HB1 LYS 114 2.915 15.517 6.202 915 1HG LYS 114 HG2 LYS 114 3.014 18.505 6.296 916 2HG LYS 114 HG1 LYS 114 3.964 17.523 7.415 917 1HD LYS 114 HD2 LYS 114 4.994 16.371 5.498 918 2HD LYS 114 HD1 LYS 114 4.074 17.404 4.401 919 1HE LYS 114 HE2 LYS 114 5.950 18.493 6.485 920 2HE LYS 114 HE1 LYS 114 6.470 18.090 4.850 921 1HZ LYS 114 HZ1 LYS 114 4.142 19.836 5.172 922 2HZ LYS 114 HZ2 LYS 114 5.316 19.819 3.954 923 3HZ LYS 114 HZ3 LYS 114 5.675 20.492 5.464 924 H PHE 115 HN PHE 115 0.868 14.249 4.817 925 HA PHE 115 HA PHE 115 2.696 13.793 2.724 926 1HB PHE 115 HB2 PHE 115 0.300 12.318 3.760 927 2HB PHE 115 HB1 PHE 115 1.109 11.772 2.293 928 HD1 PHE 115 HD1 PHE 115 2.182 12.974 5.667 929 HD2 PHE 115 HD2 PHE 115 2.533 10.023 2.625 930 HE1 PHE 115 HE1 PHE 115 3.824 11.762 7.039 931 HE2 PHE 115 HE2 PHE 115 4.176 8.806 3.988 932 HZ PHE 115 HZ PHE 115 4.819 9.672 6.200 933 H LEU 116 HN LEU 116 -0.804 14.433 2.663 934 HA LEU 116 HA LEU 116 -0.710 14.616 -0.252 935 1HB LEU 116 HB2 LEU 116 -2.933 14.449 1.754 936 2HB LEU 116 HB1 LEU 116 -3.249 14.979 0.112 937 HG LEU 116 HG LEU 116 -1.906 12.698 -0.402 938 1HD1 LEU 116 HD11 LEU 116 -3.389 12.195 2.173 939 2HD1 LEU 116 HD12 LEU 116 -1.639 12.136 1.954 940 3HD1 LEU 116 HD13 LEU 116 -2.671 10.964 1.135 941 1HD2 LEU 116 HD21 LEU 116 -4.213 13.519 -1.126 942 2HD2 LEU 116 HD22 LEU 116 -4.833 12.630 0.266 943 3HD2 LEU 116 HD23 LEU 116 -3.973 11.775 -1.015 944 H ALA 117 HN ALA 117 0.616 16.648 1.276 945 HA ALA 117 HA ALA 117 -1.037 18.980 1.382 946 1HB ALA 117 HB1 ALA 117 0.924 18.695 2.833 947 2HB ALA 117 HB2 ALA 117 1.020 20.176 1.880 948 3HB ALA 117 HB3 ALA 117 1.973 18.766 1.416 949 HA PRO 118 HA PRO 118 -0.800 20.318 -2.822 950 1HB PRO 118 HB2 PRO 118 -0.812 23.024 -2.520 951 2HB PRO 118 HB1 PRO 118 -2.247 22.018 -2.291 952 1HG PRO 118 HG2 PRO 118 -0.380 23.150 -0.243 953 2HG PRO 118 HG1 PRO 118 -2.151 23.067 -0.219 954 1HD PRO 118 HD2 PRO 118 -0.605 21.322 1.146 955 2HD PRO 118 HD1 PRO 118 -2.164 20.854 0.437 956 H LYS 119 HN LYS 119 0.605 21.168 -4.385 957 HA LYS 119 HA LYS 119 3.292 21.852 -3.385 958 1HB LYS 119 HB2 LYS 119 3.053 19.644 -4.584 959 2HB LYS 119 HB1 LYS 119 2.649 20.552 -6.034 960 1HG LYS 119 HG2 LYS 119 4.889 21.759 -5.638 961 2HG LYS 119 HG1 LYS 119 5.253 20.401 -4.570 962 1HD LYS 119 HD2 LYS 119 4.507 18.960 -6.611 963 2HD LYS 119 HD1 LYS 119 4.835 20.430 -7.530 964 1HE LYS 119 HE2 LYS 119 6.948 19.762 -5.637 965 2HE LYS 119 HE1 LYS 119 6.679 18.505 -6.844 966 1HZ LYS 119 HZ1 LYS 119 7.113 21.371 -7.487 967 2HZ LYS 119 HZ2 LYS 119 7.016 20.089 -8.586 968 3HZ LYS 119 HZ3 LYS 119 8.327 20.191 -7.521 969 H ASP 120 HN ASP 120 1.521 22.131 -6.469 970 HA ASP 120 HA ASP 120 2.716 24.750 -6.900 971 1HB ASP 120 HB2 ASP 120 1.429 22.697 -8.583 972 2HB ASP 120 HB1 ASP 120 1.098 24.360 -9.054 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -2.691 -12.726 -13.819 2 2H GLY 1 HT2 GLY 1 -3.386 -12.173 -12.380 3 3H GLY 1 HT3 GLY 1 -2.680 -11.075 -13.454 4 1HA GLY 1 HA1 GLY 1 -4.969 -10.840 -13.798 5 2HA GLY 1 HA2 GLY 1 -4.372 -11.796 -15.145 6 HA PRO 2 HA PRO 2 -7.274 -15.017 -14.399 7 1HB PRO 2 HB2 PRO 2 -5.059 -16.989 -14.287 8 2HB PRO 2 HB1 PRO 2 -6.467 -16.938 -15.351 9 1HG PRO 2 HG2 PRO 2 -4.041 -16.312 -16.263 10 2HG PRO 2 HG1 PRO 2 -5.480 -15.430 -16.806 11 1HD PRO 2 HD2 PRO 2 -3.386 -14.614 -14.831 12 2HD PRO 2 HD1 PRO 2 -4.228 -13.637 -16.053 13 H VAL 3 HN VAL 3 -4.468 -14.823 -12.332 14 HA VAL 3 HA VAL 3 -5.894 -16.295 -10.221 15 HB VAL 3 HB VAL 3 -2.992 -15.509 -10.109 16 1HG1 VAL 3 HG11 VAL 3 -4.072 -16.219 -8.028 17 2HG1 VAL 3 HG12 VAL 3 -2.843 -17.370 -8.547 18 3HG1 VAL 3 HG13 VAL 3 -4.551 -17.733 -8.795 19 1HG2 VAL 3 HG21 VAL 3 -2.468 -17.786 -10.942 20 2HG2 VAL 3 HG22 VAL 3 -3.224 -16.756 -12.158 21 3HG2 VAL 3 HG23 VAL 3 -4.173 -17.996 -11.340 22 H ASN 4 HN ASN 4 -3.990 -13.355 -10.800 23 HA ASN 4 HA ASN 4 -3.969 -11.319 -9.791 24 1HB ASN 4 HB2 ASN 4 -6.550 -11.795 -10.152 25 2HB ASN 4 HB1 ASN 4 -6.552 -11.854 -8.390 26 1HD2 ASN 4 HD21 ASN 4 -5.762 -9.989 -7.245 27 2HD2 ASN 4 HD22 ASN 4 -5.917 -8.422 -7.954 28 HA PRO 5 HA PRO 5 -1.990 -12.942 -6.012 29 1HB PRO 5 HB2 PRO 5 -1.142 -10.079 -6.039 30 2HB PRO 5 HB1 PRO 5 -0.183 -11.534 -5.742 31 1HG PRO 5 HG2 PRO 5 -0.034 -10.276 -8.078 32 2HG PRO 5 HG1 PRO 5 -0.023 -12.050 -8.000 33 1HD PRO 5 HD2 PRO 5 -2.213 -10.200 -8.820 34 2HD PRO 5 HD1 PRO 5 -1.813 -11.820 -9.427 35 H ALA 6 HN ALA 6 -3.874 -9.979 -6.384 36 HA ALA 6 HA ALA 6 -4.218 -9.457 -3.621 37 1HB ALA 6 HB1 ALA 6 -4.845 -8.151 -5.971 38 2HB ALA 6 HB2 ALA 6 -5.250 -7.617 -4.340 39 3HB ALA 6 HB3 ALA 6 -6.420 -8.544 -5.279 40 H GLU 7 HN GLU 7 -6.080 -11.315 -5.977 41 HA GLU 7 HA GLU 7 -8.225 -11.870 -4.152 42 1HB GLU 7 HB2 GLU 7 -7.487 -13.010 -6.847 43 2HB GLU 7 HB1 GLU 7 -8.902 -13.526 -5.940 44 1HG GLU 7 HG2 GLU 7 -9.765 -11.237 -5.995 45 2HG GLU 7 HG1 GLU 7 -8.352 -10.735 -6.923 46 H ASN 8 HN ASN 8 -5.411 -13.644 -5.364 47 HA ASN 8 HA ASN 8 -5.978 -16.107 -4.134 48 1HB ASN 8 HB2 ASN 8 -4.190 -15.477 -5.927 49 2HB ASN 8 HB1 ASN 8 -3.165 -15.140 -4.536 50 1HD2 ASN 8 HD21 ASN 8 -2.229 -16.784 -3.481 51 2HD2 ASN 8 HD22 ASN 8 -2.462 -18.453 -3.858 52 H PHE 9 HN PHE 9 -4.450 -13.186 -2.957 53 HA PHE 9 HA PHE 9 -3.488 -14.375 -0.527 54 1HB PHE 9 HB2 PHE 9 -2.198 -12.542 -0.957 55 2HB PHE 9 HB1 PHE 9 -3.504 -11.677 -1.755 56 HD1 PHE 9 HD1 PHE 9 -2.214 -12.669 1.578 57 HD2 PHE 9 HD2 PHE 9 -4.677 -9.999 -0.640 58 HE1 PHE 9 HE1 PHE 9 -2.513 -11.279 3.587 59 HE2 PHE 9 HE2 PHE 9 -4.980 -8.605 1.365 60 HZ PHE 9 HZ PHE 9 -3.897 -9.244 3.481 61 H ARG 10 HN ARG 10 -6.224 -12.324 -1.439 62 HA ARG 10 HA ARG 10 -7.299 -11.960 1.122 63 1HB ARG 10 HB2 ARG 10 -8.321 -11.736 -1.660 64 2HB ARG 10 HB1 ARG 10 -9.511 -11.809 -0.369 65 1HG ARG 10 HG2 ARG 10 -8.346 -9.900 0.724 66 2HG ARG 10 HG1 ARG 10 -7.313 -9.782 -0.703 67 1HD ARG 10 HD2 ARG 10 -9.285 -9.411 -2.101 68 2HD ARG 10 HD1 ARG 10 -10.320 -9.537 -0.678 69 HE ARG 10 HE ARG 10 -8.256 -7.485 -0.629 70 1HH1 ARG 10 HH11 ARG 10 -11.605 -8.305 -1.133 71 2HH1 ARG 10 HH12 ARG 10 -12.168 -6.680 -0.927 72 1HH2 ARG 10 HH21 ARG 10 -8.988 -5.343 -0.356 73 2HH2 ARG 10 HH22 ARG 10 -10.680 -4.996 -0.486 74 H VAL 11 HN VAL 11 -7.666 -14.583 -1.196 75 HA VAL 11 HA VAL 11 -9.785 -15.846 0.296 76 HB VAL 11 HB VAL 11 -9.531 -17.715 -1.287 77 1HG1 VAL 11 HG11 VAL 11 -9.723 -14.931 -2.402 78 2HG1 VAL 11 HG12 VAL 11 -11.032 -16.032 -1.968 79 3HG1 VAL 11 HG13 VAL 11 -10.027 -16.368 -3.377 80 1HG2 VAL 11 HG21 VAL 11 -7.971 -17.285 -3.257 81 2HG2 VAL 11 HG22 VAL 11 -7.232 -17.817 -1.747 82 3HG2 VAL 11 HG23 VAL 11 -7.163 -16.117 -2.212 83 H LEU 12 HN LEU 12 -6.305 -16.330 -0.114 84 HA LEU 12 HA LEU 12 -6.116 -18.757 1.300 85 1HB LEU 12 HB2 LEU 12 -4.381 -17.488 -0.184 86 2HB LEU 12 HB1 LEU 12 -3.916 -16.726 1.327 87 HG LEU 12 HG LEU 12 -4.074 -19.666 1.422 88 1HD1 LEU 12 HD11 LEU 12 -2.059 -20.075 0.213 89 2HD1 LEU 12 HD12 LEU 12 -1.833 -18.355 -0.102 90 3HD1 LEU 12 HD13 LEU 12 -3.167 -19.222 -0.862 91 1HD2 LEU 12 HD21 LEU 12 -3.262 -18.451 3.316 92 2HD2 LEU 12 HD22 LEU 12 -2.095 -17.579 2.321 93 3HD2 LEU 12 HD23 LEU 12 -1.901 -19.310 2.594 94 H VAL 13 HN VAL 13 -6.422 -15.475 2.343 95 HA VAL 13 HA VAL 13 -5.692 -16.171 5.095 96 HB VAL 13 HB VAL 13 -5.807 -13.801 5.606 97 1HG1 VAL 13 HG11 VAL 13 -4.254 -14.372 3.085 98 2HG1 VAL 13 HG12 VAL 13 -3.713 -14.657 4.739 99 3HG1 VAL 13 HG13 VAL 13 -3.974 -13.010 4.169 100 1HG2 VAL 13 HG21 VAL 13 -6.108 -12.211 3.625 101 2HG2 VAL 13 HG22 VAL 13 -7.557 -12.955 4.301 102 3HG2 VAL 13 HG23 VAL 13 -6.862 -13.578 2.804 103 H LYS 14 HN LYS 14 -8.386 -16.231 3.190 104 HA LYS 14 HA LYS 14 -10.163 -15.786 5.495 105 1HB LYS 14 HB2 LYS 14 -10.256 -14.313 3.270 106 2HB LYS 14 HB1 LYS 14 -11.259 -15.655 2.735 107 1HG LYS 14 HG2 LYS 14 -12.057 -14.845 5.358 108 2HG LYS 14 HG1 LYS 14 -12.014 -13.446 4.282 109 1HD LYS 14 HD2 LYS 14 -13.349 -14.802 2.638 110 2HD LYS 14 HD1 LYS 14 -13.545 -16.013 3.906 111 1HE LYS 14 HE2 LYS 14 -14.492 -14.166 5.346 112 2HE LYS 14 HE1 LYS 14 -14.528 -13.169 3.892 113 1HZ LYS 14 HZ1 LYS 14 -16.599 -14.046 3.789 114 2HZ LYS 14 HZ2 LYS 14 -16.185 -15.460 4.617 115 3HZ LYS 14 HZ3 LYS 14 -15.785 -15.291 2.983 116 H GLN 15 HN GLN 15 -8.971 -18.249 5.196 117 HA GLN 15 HA GLN 15 -11.168 -19.921 4.160 118 1HB GLN 15 HB2 GLN 15 -8.197 -20.358 4.232 119 2HB GLN 15 HB1 GLN 15 -9.297 -21.731 4.174 120 1HG GLN 15 HG2 GLN 15 -9.440 -19.498 2.179 121 2HG GLN 15 HG1 GLN 15 -8.359 -20.875 1.972 122 1HE2 GLN 15 HE21 GLN 15 -9.229 -22.918 1.601 123 2HE2 GLN 15 HE22 GLN 15 -10.864 -23.138 1.087 124 H LYS 16 HN LYS 16 -8.673 -19.710 6.672 125 HA LYS 16 HA LYS 16 -10.324 -20.263 8.831 126 1HB LYS 16 HB2 LYS 16 -9.751 -22.584 9.376 127 2HB LYS 16 HB1 LYS 16 -10.621 -22.492 7.852 128 1HG LYS 16 HG2 LYS 16 -8.924 -23.373 6.705 129 2HG LYS 16 HG1 LYS 16 -7.728 -22.370 7.528 130 1HD LYS 16 HD2 LYS 16 -7.206 -23.991 8.984 131 2HD LYS 16 HD1 LYS 16 -8.897 -24.431 9.236 132 1HE LYS 16 HE2 LYS 16 -8.461 -25.312 6.692 133 2HE LYS 16 HE1 LYS 16 -6.889 -25.589 7.440 134 1HZ LYS 16 HZ1 LYS 16 -9.460 -26.851 7.993 135 2HZ LYS 16 HZ2 LYS 16 -8.444 -26.582 9.318 136 3HZ LYS 16 HZ3 LYS 16 -7.902 -27.513 8.014 137 H LYS 17 HN LYS 17 -7.162 -20.656 7.382 138 HA LYS 17 HA LYS 17 -5.908 -19.285 9.564 139 1HB LYS 17 HB2 LYS 17 -5.392 -22.195 9.020 140 2HB LYS 17 HB1 LYS 17 -4.134 -21.172 9.692 141 1HG LYS 17 HG2 LYS 17 -5.657 -20.610 11.564 142 2HG LYS 17 HG1 LYS 17 -6.821 -21.765 10.911 143 1HD LYS 17 HD2 LYS 17 -5.296 -23.584 11.236 144 2HD LYS 17 HD1 LYS 17 -3.994 -22.478 11.677 145 1HE LYS 17 HE2 LYS 17 -5.269 -21.786 13.657 146 2HE LYS 17 HE1 LYS 17 -6.549 -22.917 13.219 147 1HZ LYS 17 HZ1 LYS 17 -5.218 -23.974 14.835 148 2HZ LYS 17 HZ2 LYS 17 -3.778 -23.554 14.054 149 3HZ LYS 17 HZ3 LYS 17 -4.812 -24.698 13.360 150 H ALA 18 HN ALA 18 -3.814 -18.576 9.027 151 HA ALA 18 HA ALA 18 -2.375 -19.187 6.727 152 1HB ALA 18 HB1 ALA 18 -3.740 -18.332 5.151 153 2HB ALA 18 HB2 ALA 18 -3.035 -16.795 5.653 154 3HB ALA 18 HB3 ALA 18 -4.596 -17.304 6.300 155 H SER 19 HN SER 19 -3.314 -16.890 9.151 156 HA SER 19 HA SER 19 -2.150 -15.410 10.420 157 1HB SER 19 HB2 SER 19 -0.557 -17.467 10.440 158 2HB SER 19 HB1 SER 19 0.441 -16.497 9.354 159 HG SER 19 HG SER 19 0.519 -14.893 10.961 160 H PHE 20 HN PHE 20 -1.774 -13.308 10.121 161 HA PHE 20 HA PHE 20 -1.314 -12.323 7.453 162 1HB PHE 20 HB2 PHE 20 -2.789 -11.345 9.435 163 2HB PHE 20 HB1 PHE 20 -1.290 -10.508 9.823 164 HD1 PHE 20 HD1 PHE 20 -0.444 -8.760 8.420 165 HD2 PHE 20 HD2 PHE 20 -3.965 -10.895 7.347 166 HE1 PHE 20 HE1 PHE 20 -0.959 -7.052 6.726 167 HE2 PHE 20 HE2 PHE 20 -4.487 -9.190 5.650 168 HZ PHE 20 HZ PHE 20 -2.982 -7.267 5.338 169 H GLU 21 HN GLU 21 0.871 -13.638 7.747 170 HA GLU 21 HA GLU 21 2.930 -11.638 8.372 171 1HB GLU 21 HB2 GLU 21 2.493 -14.026 9.809 172 2HB GLU 21 HB1 GLU 21 3.935 -14.291 8.839 173 1HG GLU 21 HG2 GLU 21 4.963 -12.307 9.780 174 2HG GLU 21 HG1 GLU 21 3.503 -11.974 10.711 175 H GLU 22 HN GLU 22 2.734 -14.950 7.049 176 HA GLU 22 HA GLU 22 4.793 -14.508 5.152 177 1HB GLU 22 HB2 GLU 22 2.694 -16.647 4.901 178 2HB GLU 22 HB1 GLU 22 4.381 -16.702 4.412 179 1HG GLU 22 HG2 GLU 22 4.462 -16.256 7.150 180 2HG GLU 22 HG1 GLU 22 3.163 -17.427 6.921 181 H ALA 23 HN ALA 23 1.260 -14.509 4.946 182 HA ALA 23 HA ALA 23 1.116 -14.153 2.139 183 1HB ALA 23 HB1 ALA 23 -1.057 -13.098 3.860 184 2HB ALA 23 HB2 ALA 23 -0.698 -14.822 3.958 185 3HB ALA 23 HB3 ALA 23 -1.143 -14.101 2.412 186 H SER 24 HN SER 24 1.468 -11.950 4.831 187 HA SER 24 HA SER 24 0.870 -9.588 3.320 188 1HB SER 24 HB2 SER 24 2.239 -8.651 5.465 189 2HB SER 24 HB1 SER 24 0.523 -9.059 5.504 190 HG SER 24 HG SER 24 1.562 -10.083 7.206 191 H ASN 25 HN ASN 25 3.881 -10.826 4.779 192 HA ASN 25 HA ASN 25 5.654 -9.026 3.673 193 1HB ASN 25 HB2 ASN 25 5.855 -11.802 4.696 194 2HB ASN 25 HB1 ASN 25 7.192 -11.240 3.697 195 1HD2 ASN 25 HD21 ASN 25 5.670 -11.094 6.742 196 2HD2 ASN 25 HD22 ASN 25 6.758 -9.982 7.492 197 H GLN 26 HN GLN 26 4.490 -12.076 2.282 198 HA GLN 26 HA GLN 26 6.055 -12.023 -0.049 199 1HB GLN 26 HB2 GLN 26 4.592 -13.925 0.922 200 2HB GLN 26 HB1 GLN 26 3.277 -13.172 0.030 201 1HG GLN 26 HG2 GLN 26 4.299 -13.590 -2.041 202 2HG GLN 26 HG1 GLN 26 5.852 -13.964 -1.290 203 1HE2 GLN 26 HE21 GLN 26 5.983 -15.917 -0.011 204 2HE2 GLN 26 HE22 GLN 26 4.993 -17.271 -0.424 205 H LEU 27 HN LEU 27 2.815 -10.760 0.630 206 HA LEU 27 HA LEU 27 2.170 -9.873 -1.930 207 1HB LEU 27 HB2 LEU 27 0.868 -9.888 0.406 208 2HB LEU 27 HB1 LEU 27 1.354 -8.203 0.388 209 HG LEU 27 HG LEU 27 -0.926 -8.567 -0.494 210 1HD1 LEU 27 HD11 LEU 27 0.876 -6.811 -1.344 211 2HD1 LEU 27 HD12 LEU 27 -0.747 -6.908 -2.026 212 3HD1 LEU 27 HD13 LEU 27 0.607 -7.669 -2.860 213 1HD2 LEU 27 HD21 LEU 27 -0.220 -9.536 -3.094 214 2HD2 LEU 27 HD22 LEU 27 -1.395 -10.176 -1.945 215 3HD2 LEU 27 HD23 LEU 27 0.288 -10.696 -1.867 216 H ILE 28 HN ILE 28 3.858 -8.157 0.707 217 HA ILE 28 HA ILE 28 4.182 -5.725 -0.655 218 HB ILE 28 HB ILE 28 5.666 -7.007 1.618 219 1HG1 ILE 28 HG12 ILE 28 4.610 -4.401 2.138 220 2HG1 ILE 28 HG11 ILE 28 3.367 -5.361 1.338 221 1HG2 ILE 28 HG21 ILE 28 7.447 -5.826 0.741 222 2HG2 ILE 28 HG22 ILE 28 6.723 -4.641 1.829 223 3HG2 ILE 28 HG23 ILE 28 6.417 -4.549 0.095 224 1HD1 ILE 28 HD11 ILE 28 4.637 -5.727 3.991 225 2HD1 ILE 28 HD12 ILE 28 4.102 -7.158 3.110 226 3HD1 ILE 28 HD13 ILE 28 2.948 -5.884 3.507 227 H ASN 29 HN ASN 29 6.219 -8.622 -0.501 228 HA ASN 29 HA ASN 29 8.432 -7.603 -1.891 229 1HB ASN 29 HB2 ASN 29 7.817 -9.994 -0.693 230 2HB ASN 29 HB1 ASN 29 7.821 -10.435 -2.398 231 1HD2 ASN 29 HD21 ASN 29 9.703 -10.836 -3.333 232 2HD2 ASN 29 HD22 ASN 29 11.255 -10.476 -2.665 233 H HIS 30 HN HIS 30 5.523 -9.280 -3.020 234 HA HIS 30 HA HIS 30 6.171 -9.455 -5.728 235 1HB HIS 30 HB2 HIS 30 3.952 -10.055 -4.144 236 2HB HIS 30 HB1 HIS 30 3.352 -8.869 -5.302 237 HD1 HIS 30 HD1 HIS 30 3.312 -9.564 -7.797 238 HD2 HIS 30 HD2 HIS 30 4.627 -12.544 -5.218 239 HE1 HIS 30 HE1 HIS 30 3.289 -11.684 -9.150 240 HE2 HIS 30 HE2 HIS 30 3.998 -13.487 -7.542 241 H ILE 31 HN ILE 31 4.475 -6.902 -3.940 242 HA ILE 31 HA ILE 31 3.978 -5.184 -6.086 243 HB ILE 31 HB ILE 31 4.548 -4.460 -3.207 244 1HG1 ILE 31 HG12 ILE 31 1.874 -4.692 -4.592 245 2HG1 ILE 31 HG11 ILE 31 2.609 -6.028 -3.707 246 1HG2 ILE 31 HG21 ILE 31 3.360 -2.842 -5.453 247 2HG2 ILE 31 HG22 ILE 31 4.838 -2.505 -4.553 248 3HG2 ILE 31 HG23 ILE 31 3.271 -2.385 -3.752 249 1HD1 ILE 31 HD11 ILE 31 2.624 -4.632 -1.678 250 2HD1 ILE 31 HD12 ILE 31 1.002 -4.905 -2.316 251 3HD1 ILE 31 HD13 ILE 31 1.804 -3.357 -2.580 252 H GLU 32 HN GLU 32 6.741 -5.283 -3.845 253 HA GLU 32 HA GLU 32 8.208 -3.168 -4.850 254 1HB GLU 32 HB2 GLU 32 8.969 -5.734 -3.505 255 2HB GLU 32 HB1 GLU 32 10.228 -4.669 -4.117 256 1HG GLU 32 HG2 GLU 32 9.423 -2.863 -2.722 257 2HG GLU 32 HG1 GLU 32 8.090 -3.870 -2.153 258 H GLN 33 HN GLN 33 8.200 -6.553 -5.913 259 HA GLN 33 HA GLN 33 10.187 -6.342 -7.873 260 1HB GLN 33 HB2 GLN 33 7.850 -8.182 -7.478 261 2HB GLN 33 HB1 GLN 33 8.813 -8.288 -8.945 262 1HG GLN 33 HG2 GLN 33 10.810 -8.706 -7.623 263 2HG GLN 33 HG1 GLN 33 9.870 -8.558 -6.139 264 1HE2 GLN 33 HE21 GLN 33 8.646 -10.246 -5.451 265 2HE2 GLN 33 HE22 GLN 33 8.633 -11.796 -6.213 266 H PHE 34 HN PHE 34 6.675 -5.931 -8.082 267 HA PHE 34 HA PHE 34 6.455 -5.433 -10.804 268 1HB PHE 34 HB2 PHE 34 4.846 -4.722 -8.402 269 2HB PHE 34 HB1 PHE 34 4.495 -3.854 -9.892 270 HD1 PHE 34 HD1 PHE 34 2.645 -4.681 -10.949 271 HD2 PHE 34 HD2 PHE 34 5.312 -7.403 -9.055 272 HE1 PHE 34 HE1 PHE 34 1.265 -6.566 -11.723 273 HE2 PHE 34 HE2 PHE 34 3.938 -9.293 -9.826 274 HZ PHE 34 HZ PHE 34 1.911 -8.875 -11.162 275 H LEU 35 HN LEU 35 7.611 -3.387 -8.228 276 HA LEU 35 HA LEU 35 7.534 -0.968 -9.804 277 1HB LEU 35 HB2 LEU 35 8.246 -1.732 -7.049 278 2HB LEU 35 HB1 LEU 35 9.192 -0.411 -7.713 279 HG LEU 35 HG LEU 35 7.228 0.343 -6.407 280 1HD1 LEU 35 HD11 LEU 35 6.389 1.941 -8.087 281 2HD1 LEU 35 HD12 LEU 35 7.200 1.008 -9.346 282 3HD1 LEU 35 HD13 LEU 35 8.148 1.804 -8.089 283 1HD2 LEU 35 HD21 LEU 35 5.795 -1.614 -7.178 284 2HD2 LEU 35 HD22 LEU 35 5.524 -0.689 -8.655 285 3HD2 LEU 35 HD23 LEU 35 5.015 -0.033 -7.100 286 H ASP 36 HN ASP 36 9.638 -3.607 -9.394 287 HA ASP 36 HA ASP 36 12.093 -2.263 -10.017 288 1HB ASP 36 HB2 ASP 36 11.742 -4.525 -8.783 289 2HB ASP 36 HB1 ASP 36 11.654 -5.210 -10.402 290 H THR 37 HN THR 37 9.446 -2.791 -11.854 291 HA THR 37 HA THR 37 11.025 -2.811 -14.321 292 HB THR 37 HB THR 37 8.783 -4.021 -15.201 293 HG1 THR 37 HG1 THR 37 8.422 -5.738 -13.564 294 1HG2 THR 37 HG21 THR 37 11.206 -4.695 -15.460 295 2HG2 THR 37 HG22 THR 37 10.053 -6.025 -15.359 296 3HG2 THR 37 HG23 THR 37 11.031 -5.597 -13.955 297 H ASN 38 HN ASN 38 10.560 -1.175 -15.589 298 HA ASN 38 HA ASN 38 8.433 0.649 -14.914 299 1HB ASN 38 HB2 ASN 38 10.901 1.016 -15.983 300 2HB ASN 38 HB1 ASN 38 9.913 1.056 -17.442 301 1HD2 ASN 38 HD21 ASN 38 8.845 2.860 -17.923 302 2HD2 ASN 38 HD22 ASN 38 8.710 4.242 -16.895 303 H GLU 39 HN GLU 39 6.423 0.431 -15.624 304 HA GLU 39 HA GLU 39 5.811 -0.085 -18.360 305 1HB GLU 39 HB2 GLU 39 5.778 -2.311 -16.440 306 2HB GLU 39 HB1 GLU 39 4.284 -2.121 -17.346 307 1HG GLU 39 HG2 GLU 39 7.042 -2.496 -18.486 308 2HG GLU 39 HG1 GLU 39 5.735 -3.678 -18.462 309 H THR 40 HN THR 40 3.489 0.042 -18.782 310 HA THR 40 HA THR 40 2.228 1.898 -16.972 311 HB THR 40 HB THR 40 0.998 0.740 -19.470 312 HG1 THR 40 HG1 THR 40 2.893 1.629 -20.176 313 1HG2 THR 40 HG21 THR 40 -0.137 2.965 -19.500 314 2HG2 THR 40 HG22 THR 40 0.569 3.291 -17.916 315 3HG2 THR 40 HG23 THR 40 -0.569 1.958 -18.117 316 HA PRO 41 HA PRO 41 -0.991 -1.672 -16.606 317 1HB PRO 41 HB2 PRO 41 0.285 -4.111 -17.549 318 2HB PRO 41 HB1 PRO 41 -1.227 -3.370 -18.084 319 1HG PRO 41 HG2 PRO 41 1.001 -3.475 -19.636 320 2HG PRO 41 HG1 PRO 41 -0.202 -2.178 -19.755 321 1HD PRO 41 HD2 PRO 41 2.454 -2.180 -18.368 322 2HD PRO 41 HD1 PRO 41 1.700 -0.910 -19.356 323 H TYR 42 HN TYR 42 2.286 -1.781 -15.824 324 HA TYR 42 HA TYR 42 2.110 -3.922 -13.890 325 1HB TYR 42 HB2 TYR 42 4.233 -2.195 -14.984 326 2HB TYR 42 HB1 TYR 42 4.442 -2.647 -13.295 327 HD1 TYR 42 HD1 TYR 42 5.750 -4.503 -12.932 328 HD2 TYR 42 HD2 TYR 42 3.409 -4.327 -16.480 329 HE1 TYR 42 HE1 TYR 42 6.646 -6.687 -13.623 330 HE2 TYR 42 HE2 TYR 42 4.297 -6.511 -17.181 331 HH TYR 42 HH TYR 42 5.951 -8.040 -16.787 332 H PHE 43 HN PHE 43 2.284 -0.384 -13.837 333 HA PHE 43 HA PHE 43 2.323 -0.181 -10.999 334 1HB PHE 43 HB2 PHE 43 1.925 1.736 -13.258 335 2HB PHE 43 HB1 PHE 43 1.493 2.243 -11.626 336 HD1 PHE 43 HD1 PHE 43 3.120 3.032 -10.173 337 HD2 PHE 43 HD2 PHE 43 4.290 0.839 -13.624 338 HE1 PHE 43 HE1 PHE 43 5.475 3.569 -9.709 339 HE2 PHE 43 HE2 PHE 43 6.648 1.373 -13.169 340 HZ PHE 43 HZ PHE 43 7.244 2.738 -11.207 341 H MET 44 HN MET 44 -0.215 -0.286 -13.416 342 HA MET 44 HA MET 44 -2.361 0.590 -11.841 343 1HB MET 44 HB2 MET 44 -2.200 -1.291 -14.190 344 2HB MET 44 HB1 MET 44 -3.731 -0.904 -13.419 345 1HG MET 44 HG2 MET 44 -3.219 1.514 -13.850 346 2HG MET 44 HG1 MET 44 -1.857 0.974 -14.828 347 1HE MET 44 HE1 MET 44 -4.415 2.839 -15.847 348 2HE MET 44 HE2 MET 44 -4.494 2.180 -17.481 349 3HE MET 44 HE3 MET 44 -2.929 2.487 -16.729 350 H LYS 45 HN LYS 45 -0.739 -2.498 -12.092 351 HA LYS 45 HA LYS 45 -2.660 -3.917 -10.495 352 1HB LYS 45 HB2 LYS 45 -0.760 -4.711 -12.262 353 2HB LYS 45 HB1 LYS 45 0.077 -5.003 -10.740 354 1HG LYS 45 HG2 LYS 45 -0.935 -7.013 -10.968 355 2HG LYS 45 HG1 LYS 45 -2.235 -6.157 -10.134 356 1HD LYS 45 HD2 LYS 45 -3.341 -5.707 -12.233 357 2HD LYS 45 HD1 LYS 45 -2.000 -6.420 -13.130 358 1HE LYS 45 HE2 LYS 45 -2.462 -8.585 -12.048 359 2HE LYS 45 HE1 LYS 45 -3.839 -7.858 -11.220 360 1HZ LYS 45 HZ1 LYS 45 -4.440 -9.103 -13.248 361 2HZ LYS 45 HZ2 LYS 45 -3.552 -7.998 -14.171 362 3HZ LYS 45 HZ3 LYS 45 -4.910 -7.478 -13.306 363 H SER 46 HN SER 46 0.180 -2.009 -9.926 364 HA SER 46 HA SER 46 0.859 -3.026 -7.371 365 1HB SER 46 HB2 SER 46 1.323 -0.169 -8.203 366 2HB SER 46 HB1 SER 46 2.339 -1.206 -7.198 367 HG SER 46 HG SER 46 1.843 -1.701 -9.942 368 H ILE 47 HN ILE 47 -1.008 -0.178 -8.400 369 HA ILE 47 HA ILE 47 -1.821 0.658 -5.861 370 HB ILE 47 HB ILE 47 -3.478 0.904 -8.373 371 1HG1 ILE 47 HG12 ILE 47 -1.603 3.058 -7.520 372 2HG1 ILE 47 HG11 ILE 47 -0.919 1.657 -8.339 373 1HG2 ILE 47 HG21 ILE 47 -4.300 2.952 -7.325 374 2HG2 ILE 47 HG22 ILE 47 -3.290 2.638 -5.914 375 3HG2 ILE 47 HG23 ILE 47 -4.614 1.541 -6.313 376 1HD1 ILE 47 HD11 ILE 47 -2.796 2.118 -10.083 377 2HD1 ILE 47 HD12 ILE 47 -1.315 3.076 -10.091 378 3HD1 ILE 47 HD13 ILE 47 -2.786 3.732 -9.371 379 H ASP 48 HN ASP 48 -3.249 -1.648 -8.131 380 HA ASP 48 HA ASP 48 -5.614 -2.173 -6.706 381 1HB ASP 48 HB2 ASP 48 -4.689 -2.963 -9.102 382 2HB ASP 48 HB1 ASP 48 -4.329 -4.418 -8.174 383 H CYS 49 HN CYS 49 -2.347 -3.108 -6.205 384 HA CYS 49 HA CYS 49 -2.979 -5.286 -4.405 385 1HB CYS 49 HB2 CYS 49 -0.492 -4.091 -5.524 386 2HB CYS 49 HB1 CYS 49 -0.363 -4.921 -3.975 387 HG CYS 49 HG CYS 49 -1.965 -7.086 -5.522 388 H ILE 50 HN ILE 50 -1.595 -2.002 -4.176 389 HA ILE 50 HA ILE 50 -1.295 -1.975 -1.386 390 HB ILE 50 HB ILE 50 -0.548 -0.270 -3.311 391 1HG1 ILE 50 HG12 ILE 50 -1.072 0.851 -0.566 392 2HG1 ILE 50 HG11 ILE 50 0.086 -0.459 -0.805 393 1HG2 ILE 50 HG21 ILE 50 -1.777 1.701 -3.449 394 2HG2 ILE 50 HG22 ILE 50 -2.719 1.327 -2.006 395 3HG2 ILE 50 HG23 ILE 50 -3.009 0.439 -3.501 396 1HD1 ILE 50 HD11 ILE 50 0.310 1.988 -2.481 397 2HD1 ILE 50 HD12 ILE 50 1.563 0.874 -1.932 398 3HD1 ILE 50 HD13 ILE 50 0.857 2.032 -0.805 399 H ARG 51 HN ARG 51 -4.054 -1.659 -3.419 400 HA ARG 51 HA ARG 51 -5.733 -0.344 -1.498 401 1HB ARG 51 HB2 ARG 51 -6.213 -1.709 -4.133 402 2HB ARG 51 HB1 ARG 51 -7.563 -1.228 -3.115 403 1HG ARG 51 HG2 ARG 51 -5.879 1.007 -3.267 404 2HG ARG 51 HG1 ARG 51 -5.985 0.353 -4.903 405 1HD ARG 51 HD2 ARG 51 -8.582 0.276 -3.779 406 2HD ARG 51 HD1 ARG 51 -7.912 1.874 -3.454 407 HE ARG 51 HE ARG 51 -7.736 2.241 -5.783 408 1HH1 ARG 51 HH11 ARG 51 -9.236 -0.800 -4.981 409 2HH1 ARG 51 HH12 ARG 51 -9.938 -1.014 -6.549 410 1HH2 ARG 51 HH21 ARG 51 -8.657 1.968 -7.850 411 2HH2 ARG 51 HH22 ARG 51 -9.608 0.558 -8.181 412 H ALA 52 HN ALA 52 -5.619 -3.647 -2.827 413 HA ALA 52 HA ALA 52 -7.495 -4.786 -1.102 414 1HB ALA 52 HB1 ALA 52 -6.617 -5.860 -3.149 415 2HB ALA 52 HB2 ALA 52 -6.586 -6.926 -1.745 416 3HB ALA 52 HB3 ALA 52 -5.098 -6.163 -2.306 417 H PHE 53 HN PHE 53 -4.086 -4.128 -0.660 418 HA PHE 53 HA PHE 53 -3.851 -5.643 1.767 419 1HB PHE 53 HB2 PHE 53 -2.015 -4.894 0.027 420 2HB PHE 53 HB1 PHE 53 -1.933 -3.463 1.052 421 HD1 PHE 53 HD1 PHE 53 -0.076 -6.073 0.415 422 HD2 PHE 53 HD2 PHE 53 -2.285 -4.579 3.732 423 HE1 PHE 53 HE1 PHE 53 1.426 -7.269 1.952 424 HE2 PHE 53 HE2 PHE 53 -0.787 -5.772 5.273 425 HZ PHE 53 HZ PHE 53 1.073 -7.118 4.384 426 H ARG 54 HN ARG 54 -3.754 -2.137 1.075 427 HA ARG 54 HA ARG 54 -3.676 -1.203 3.671 428 1HB ARG 54 HB2 ARG 54 -4.776 -0.078 1.126 429 2HB ARG 54 HB1 ARG 54 -5.071 0.775 2.637 430 1HG ARG 54 HG2 ARG 54 -2.601 0.785 3.021 431 2HG ARG 54 HG1 ARG 54 -2.410 0.128 1.393 432 1HD ARG 54 HD2 ARG 54 -2.251 2.311 0.837 433 2HD ARG 54 HD1 ARG 54 -4.013 2.214 0.856 434 HE ARG 54 HE ARG 54 -2.310 3.431 2.903 435 1HH1 ARG 54 HH11 ARG 54 -5.490 2.674 1.697 436 2HH1 ARG 54 HH12 ARG 54 -6.296 3.787 2.753 437 1HH2 ARG 54 HH21 ARG 54 -3.362 4.895 4.299 438 2HH2 ARG 54 HH22 ARG 54 -5.086 5.048 4.232 439 H GLU 55 HN GLU 55 -6.434 -2.340 1.822 440 HA GLU 55 HA GLU 55 -8.416 -1.429 3.649 441 1HB GLU 55 HB2 GLU 55 -8.366 -3.299 1.322 442 2HB GLU 55 HB1 GLU 55 -9.756 -3.325 2.399 443 1HG GLU 55 HG2 GLU 55 -9.965 -0.853 2.025 444 2HG GLU 55 HG1 GLU 55 -8.735 -1.016 0.771 445 H GLU 56 HN GLU 56 -7.153 -4.706 2.996 446 HA GLU 56 HA GLU 56 -8.529 -5.948 5.108 447 1HB GLU 56 HB2 GLU 56 -6.112 -6.702 3.491 448 2HB GLU 56 HB1 GLU 56 -6.671 -7.719 4.814 449 1HG GLU 56 HG2 GLU 56 -8.959 -7.211 3.339 450 2HG GLU 56 HG1 GLU 56 -7.699 -7.438 2.125 451 H ALA 57 HN ALA 57 -5.626 -4.050 5.094 452 HA ALA 57 HA ALA 57 -4.706 -5.106 7.637 453 1HB ALA 57 HB1 ALA 57 -3.197 -4.367 5.713 454 2HB ALA 57 HB2 ALA 57 -2.770 -3.828 7.337 455 3HB ALA 57 HB3 ALA 57 -3.567 -2.719 6.222 456 H ILE 58 HN ILE 58 -5.565 -1.873 6.404 457 HA ILE 58 HA ILE 58 -5.628 -0.561 8.854 458 HB ILE 58 HB ILE 58 -7.175 0.001 6.327 459 1HG1 ILE 58 HG12 ILE 58 -4.836 1.522 7.463 460 2HG1 ILE 58 HG11 ILE 58 -4.607 0.118 6.423 461 1HG2 ILE 58 HG21 ILE 58 -8.345 0.983 8.235 462 2HG2 ILE 58 HG22 ILE 58 -7.617 2.225 7.217 463 3HG2 ILE 58 HG23 ILE 58 -6.854 1.776 8.743 464 1HD1 ILE 58 HD11 ILE 58 -4.505 1.801 4.893 465 2HD1 ILE 58 HD12 ILE 58 -5.648 2.820 5.767 466 3HD1 ILE 58 HD13 ILE 58 -6.229 1.438 4.839 467 H LYS 59 HN LYS 59 -8.244 -2.240 7.138 468 HA LYS 59 HA LYS 59 -10.376 -1.583 8.753 469 1HB LYS 59 HB2 LYS 59 -9.715 -4.019 7.145 470 2HB LYS 59 HB1 LYS 59 -11.145 -4.021 8.167 471 1HG LYS 59 HG2 LYS 59 -10.937 -1.631 6.524 472 2HG LYS 59 HG1 LYS 59 -11.011 -3.122 5.580 473 1HD LYS 59 HD2 LYS 59 -13.044 -3.780 6.735 474 2HD LYS 59 HD1 LYS 59 -12.951 -2.345 7.758 475 1HE LYS 59 HE2 LYS 59 -12.880 -1.808 4.873 476 2HE LYS 59 HE1 LYS 59 -14.385 -2.521 5.452 477 1HZ LYS 59 HZ1 LYS 59 -13.248 -0.273 6.946 478 2HZ LYS 59 HZ2 LYS 59 -14.867 -0.706 6.717 479 3HZ LYS 59 HZ3 LYS 59 -14.010 0.055 5.472 480 H PHE 60 HN PHE 60 -8.030 -4.226 9.219 481 HA PHE 60 HA PHE 60 -8.049 -4.038 12.004 482 1HB PHE 60 HB2 PHE 60 -9.248 -6.145 12.606 483 2HB PHE 60 HB1 PHE 60 -10.303 -4.869 12.010 484 HD1 PHE 60 HD1 PHE 60 -9.226 -8.256 11.613 485 HD2 PHE 60 HD2 PHE 60 -11.104 -5.008 9.609 486 HE1 PHE 60 HE1 PHE 60 -10.173 -9.822 9.970 487 HE2 PHE 60 HE2 PHE 60 -12.051 -6.567 7.960 488 HZ PHE 60 HZ PHE 60 -11.588 -8.979 8.139 489 H SER 61 HN SER 61 -5.853 -4.259 11.708 490 HA SER 61 HA SER 61 -4.799 -6.838 11.929 491 1HB SER 61 HB2 SER 61 -5.406 -6.792 9.447 492 2HB SER 61 HB1 SER 61 -4.100 -5.623 9.261 493 HG SER 61 HG SER 61 -3.944 -8.319 10.096 494 H GLU 62 HN GLU 62 -2.995 -4.702 9.900 495 HA GLU 62 HA GLU 62 -1.553 -3.662 12.239 496 1HB GLU 62 HB2 GLU 62 -0.208 -4.722 9.749 497 2HB GLU 62 HB1 GLU 62 0.583 -4.109 11.198 498 1HG GLU 62 HG2 GLU 62 -0.872 -6.057 12.301 499 2HG GLU 62 HG1 GLU 62 -0.676 -6.729 10.680 500 H GLU 63 HN GLU 63 -3.167 -1.949 11.455 501 HA GLU 63 HA GLU 63 -2.884 -0.485 9.136 502 1HB GLU 63 HB2 GLU 63 -3.764 1.446 10.441 503 2HB GLU 63 HB1 GLU 63 -4.687 -0.035 10.656 504 1HG GLU 63 HG2 GLU 63 -2.522 0.629 12.590 505 2HG GLU 63 HG1 GLU 63 -4.071 1.466 12.699 506 H GLN 64 HN GLN 64 -0.847 -0.433 11.995 507 HA GLN 64 HA GLN 64 0.597 1.931 11.193 508 1HB GLN 64 HB2 GLN 64 0.290 0.539 13.569 509 2HB GLN 64 HB1 GLN 64 1.951 0.188 13.109 510 1HG GLN 64 HG2 GLN 64 2.548 2.461 13.127 511 2HG GLN 64 HG1 GLN 64 0.864 2.984 13.171 512 1HE2 GLN 64 HE21 GLN 64 3.410 1.416 15.014 513 2HE2 GLN 64 HE22 GLN 64 2.771 1.794 16.574 514 H ARG 65 HN ARG 65 0.842 -1.472 10.592 515 HA ARG 65 HA ARG 65 3.599 -1.589 9.952 516 1HB ARG 65 HB2 ARG 65 2.353 -3.634 10.325 517 2HB ARG 65 HB1 ARG 65 1.271 -3.264 8.990 518 1HG ARG 65 HG2 ARG 65 3.107 -3.506 7.413 519 2HG ARG 65 HG1 ARG 65 4.217 -3.840 8.744 520 1HD ARG 65 HD2 ARG 65 2.296 -5.673 9.235 521 2HD ARG 65 HD1 ARG 65 2.193 -5.568 7.476 522 HE ARG 65 HE ARG 65 4.367 -6.416 7.314 523 1HH1 ARG 65 HH11 ARG 65 3.355 -6.066 10.630 524 2HH1 ARG 65 HH12 ARG 65 4.623 -7.063 11.257 525 1HH2 ARG 65 HH21 ARG 65 6.041 -7.732 8.133 526 2HH2 ARG 65 HH22 ARG 65 6.151 -8.009 9.839 527 H PHE 66 HN PHE 66 0.841 -0.321 8.376 528 HA PHE 66 HA PHE 66 2.122 -0.232 5.759 529 1HB PHE 66 HB2 PHE 66 -0.537 -0.444 6.534 530 2HB PHE 66 HB1 PHE 66 -0.389 1.227 5.989 531 HD1 PHE 66 HD1 PHE 66 1.135 1.388 3.742 532 HD2 PHE 66 HD2 PHE 66 -1.236 -1.932 4.949 533 HE1 PHE 66 HE1 PHE 66 1.013 0.633 1.404 534 HE2 PHE 66 HE2 PHE 66 -1.363 -2.692 2.614 535 HZ PHE 66 HZ PHE 66 -0.236 -1.412 0.838 536 H ASN 67 HN ASN 67 0.996 1.910 8.335 537 HA ASN 67 HA ASN 67 1.716 4.328 7.019 538 1HB ASN 67 HB2 ASN 67 0.960 5.403 8.906 539 2HB ASN 67 HB1 ASN 67 0.161 3.858 9.127 540 1HD2 ASN 67 HD21 ASN 67 0.872 5.859 11.073 541 2HD2 ASN 67 HD22 ASN 67 1.901 5.086 12.224 542 H ASN 68 HN ASN 68 3.396 1.884 8.577 543 HA ASN 68 HA ASN 68 5.719 3.404 9.364 544 1HB ASN 68 HB2 ASN 68 5.119 1.264 10.476 545 2HB ASN 68 HB1 ASN 68 5.434 0.413 8.967 546 1HD2 ASN 68 HD21 ASN 68 7.554 0.198 8.240 547 2HD2 ASN 68 HD22 ASN 68 8.906 0.441 9.287 548 H PHE 69 HN PHE 69 5.157 0.898 6.893 549 HA PHE 69 HA PHE 69 7.481 1.414 5.414 550 1HB PHE 69 HB2 PHE 69 5.714 -0.547 5.296 551 2HB PHE 69 HB1 PHE 69 5.007 0.457 4.031 552 HD1 PHE 69 HD1 PHE 69 6.130 0.783 1.928 553 HD2 PHE 69 HD2 PHE 69 7.901 -1.563 5.006 554 HE1 PHE 69 HE1 PHE 69 7.748 -0.115 0.307 555 HE2 PHE 69 HE2 PHE 69 9.522 -2.466 3.390 556 HZ PHE 69 HZ PHE 69 9.447 -1.741 1.037 557 H LEU 70 HN LEU 70 4.405 2.979 5.488 558 HA LEU 70 HA LEU 70 4.592 4.357 3.003 559 1HB LEU 70 HB2 LEU 70 2.774 4.292 5.248 560 2HB LEU 70 HB1 LEU 70 3.072 5.948 4.752 561 HG LEU 70 HG LEU 70 2.022 3.724 2.996 562 1HD1 LEU 70 HD11 LEU 70 0.298 5.950 3.093 563 2HD1 LEU 70 HD12 LEU 70 0.743 5.574 4.758 564 3HD1 LEU 70 HD13 LEU 70 0.023 4.330 3.736 565 1HD2 LEU 70 HD21 LEU 70 3.376 5.139 1.635 566 2HD2 LEU 70 HD22 LEU 70 2.708 6.592 2.378 567 3HD2 LEU 70 HD23 LEU 70 1.694 5.582 1.348 568 H LYS 71 HN LYS 71 5.268 5.309 6.359 569 HA LYS 71 HA LYS 71 6.136 7.892 5.938 570 1HB LYS 71 HB2 LYS 71 6.653 5.812 7.980 571 2HB LYS 71 HB1 LYS 71 7.821 7.124 7.910 572 1HG LYS 71 HG2 LYS 71 5.939 8.732 8.126 573 2HG LYS 71 HG1 LYS 71 4.856 7.356 8.364 574 1HD LYS 71 HD2 LYS 71 6.341 6.670 10.284 575 2HD LYS 71 HD1 LYS 71 7.151 8.228 10.112 576 1HE LYS 71 HE2 LYS 71 5.128 9.408 10.601 577 2HE LYS 71 HE1 LYS 71 4.185 7.919 10.542 578 1HZ LYS 71 HZ1 LYS 71 6.222 8.662 12.569 579 2HZ LYS 71 HZ2 LYS 71 5.503 7.135 12.470 580 3HZ LYS 71 HZ3 LYS 71 4.556 8.494 12.811 581 H ALA 72 HN ALA 72 7.944 4.858 5.670 582 HA ALA 72 HA ALA 72 10.413 6.129 4.986 583 1HB ALA 72 HB1 ALA 72 11.187 3.875 4.448 584 2HB ALA 72 HB2 ALA 72 9.533 3.273 4.566 585 3HB ALA 72 HB3 ALA 72 10.346 3.904 5.998 586 H LEU 73 HN LEU 73 7.818 4.580 3.160 587 HA LEU 73 HA LEU 73 8.885 4.581 0.619 588 1HB LEU 73 HB2 LEU 73 6.728 3.575 1.163 589 2HB LEU 73 HB1 LEU 73 6.038 5.164 1.442 590 HG LEU 73 HG LEU 73 6.566 5.665 -1.002 591 1HD1 LEU 73 HD11 LEU 73 7.056 2.700 -0.942 592 2HD1 LEU 73 HD12 LEU 73 8.111 3.972 -1.559 593 3HD1 LEU 73 HD13 LEU 73 6.622 3.569 -2.414 594 1HD2 LEU 73 HD21 LEU 73 4.489 3.812 0.039 595 2HD2 LEU 73 HD22 LEU 73 4.605 4.044 -1.706 596 3HD2 LEU 73 HD23 LEU 73 4.323 5.427 -0.649 597 H GLN 74 HN GLN 74 7.288 7.204 2.347 598 HA GLN 74 HA GLN 74 7.292 9.097 0.272 599 1HB GLN 74 HB2 GLN 74 6.180 9.149 2.641 600 2HB GLN 74 HB1 GLN 74 7.685 9.914 3.128 601 1HG GLN 74 HG2 GLN 74 6.538 11.090 0.728 602 2HG GLN 74 HG1 GLN 74 5.472 11.187 2.131 603 1HE2 GLN 74 HE21 GLN 74 7.530 12.955 0.496 604 2HE2 GLN 74 HE22 GLN 74 8.270 13.879 1.754 605 H GLU 75 HN GLU 75 9.608 8.555 2.906 606 HA GLU 75 HA GLU 75 11.456 10.523 2.134 607 1HB GLU 75 HB2 GLU 75 11.408 8.236 3.968 608 2HB GLU 75 HB1 GLU 75 13.008 8.604 3.338 609 1HG GLU 75 HG2 GLU 75 12.655 10.969 4.067 610 2HG GLU 75 HG1 GLU 75 11.178 10.434 4.866 611 H LYS 76 HN LYS 76 10.837 7.351 0.899 612 HA LYS 76 HA LYS 76 13.384 7.087 -0.438 613 1HB LYS 76 HB2 LYS 76 11.945 5.164 0.440 614 2HB LYS 76 HB1 LYS 76 10.908 5.447 -0.951 615 1HG LYS 76 HG2 LYS 76 12.914 5.102 -2.407 616 2HG LYS 76 HG1 LYS 76 13.795 4.603 -0.961 617 1HD LYS 76 HD2 LYS 76 12.014 2.872 -0.593 618 2HD LYS 76 HD1 LYS 76 11.369 3.294 -2.181 619 1HE LYS 76 HE2 LYS 76 13.446 2.655 -3.236 620 2HE LYS 76 HE1 LYS 76 14.188 2.354 -1.666 621 1HZ LYS 76 HZ1 LYS 76 11.807 0.884 -2.649 622 2HZ LYS 76 HZ2 LYS 76 12.765 0.512 -1.306 623 3HZ LYS 76 HZ3 LYS 76 13.393 0.335 -2.867 624 H VAL 77 HN VAL 77 10.004 7.474 -1.441 625 HA VAL 77 HA VAL 77 10.475 7.793 -4.174 626 HB VAL 77 HB VAL 77 8.233 7.381 -3.319 627 1HG1 VAL 77 HG11 VAL 77 8.078 10.218 -2.361 628 2HG1 VAL 77 HG12 VAL 77 8.617 8.920 -1.296 629 3HG1 VAL 77 HG13 VAL 77 7.004 8.865 -2.006 630 1HG2 VAL 77 HG21 VAL 77 7.993 10.083 -4.539 631 2HG2 VAL 77 HG22 VAL 77 7.120 8.596 -4.907 632 3HG2 VAL 77 HG23 VAL 77 8.784 8.799 -5.454 633 H GLU 78 HN GLU 78 10.830 9.988 -1.493 634 HA GLU 78 HA GLU 78 10.787 12.420 -2.884 635 1HB GLU 78 HB2 GLU 78 11.714 11.460 -0.267 636 2HB GLU 78 HB1 GLU 78 12.622 12.833 -0.885 637 1HG GLU 78 HG2 GLU 78 10.370 13.947 -1.268 638 2HG GLU 78 HG1 GLU 78 9.693 12.660 -0.272 639 H ILE 79 HN ILE 79 13.485 10.310 -1.961 640 HA ILE 79 HA ILE 79 15.538 11.690 -3.221 641 HB ILE 79 HB ILE 79 15.394 8.680 -3.135 642 1HG1 ILE 79 HG12 ILE 79 16.781 10.010 -0.933 643 2HG1 ILE 79 HG11 ILE 79 15.050 10.346 -0.958 644 1HG2 ILE 79 HG21 ILE 79 17.893 9.037 -2.714 645 2HG2 ILE 79 HG22 ILE 79 17.623 10.681 -3.289 646 3HG2 ILE 79 HG23 ILE 79 17.291 9.311 -4.349 647 1HD1 ILE 79 HD11 ILE 79 16.450 7.722 -0.672 648 2HD1 ILE 79 HD12 ILE 79 14.765 7.819 -1.188 649 3HD1 ILE 79 HD13 ILE 79 15.245 8.466 0.380 650 H LYS 80 HN LYS 80 12.863 10.511 -4.732 651 HA LYS 80 HA LYS 80 12.243 10.529 -6.902 652 1HB LYS 80 HB2 LYS 80 13.439 11.803 -8.280 653 2HB LYS 80 HB1 LYS 80 14.611 11.945 -6.981 654 1HG LYS 80 HG2 LYS 80 15.967 10.228 -7.898 655 2HG LYS 80 HG1 LYS 80 14.713 9.763 -9.048 656 1HD LYS 80 HD2 LYS 80 15.201 11.459 -10.468 657 2HD LYS 80 HD1 LYS 80 15.604 12.576 -9.162 658 1HE LYS 80 HE2 LYS 80 17.680 11.050 -8.847 659 2HE LYS 80 HE1 LYS 80 17.316 10.507 -10.485 660 1HZ LYS 80 HZ1 LYS 80 18.927 12.410 -10.275 661 2HZ LYS 80 HZ2 LYS 80 17.622 13.370 -9.789 662 3HZ LYS 80 HZ3 LYS 80 17.627 12.665 -11.327 663 H GLN 81 HN GLN 81 11.543 8.733 -7.660 664 HA GLN 81 HA GLN 81 13.009 6.763 -8.964 665 1HB GLN 81 HB2 GLN 81 13.030 6.480 -6.091 666 2HB GLN 81 HB1 GLN 81 12.196 5.120 -6.830 667 1HG GLN 81 HG2 GLN 81 14.142 4.721 -8.264 668 2HG GLN 81 HG1 GLN 81 14.977 6.062 -7.483 669 1HE2 GLN 81 HE21 GLN 81 15.434 3.079 -7.643 670 2HE2 GLN 81 HE22 GLN 81 15.678 2.601 -6.001 671 H LEU 82 HN LEU 82 10.203 7.488 -6.979 672 HA LEU 82 HA LEU 82 8.490 6.275 -9.014 673 1HB LEU 82 HB2 LEU 82 7.060 5.311 -7.175 674 2HB LEU 82 HB1 LEU 82 8.596 4.506 -7.450 675 HG LEU 82 HG LEU 82 8.741 6.593 -5.409 676 1HD1 LEU 82 HD11 LEU 82 7.475 5.511 -3.719 677 2HD1 LEU 82 HD12 LEU 82 7.127 4.137 -4.768 678 3HD1 LEU 82 HD13 LEU 82 6.407 5.711 -5.108 679 1HD2 LEU 82 HD21 LEU 82 9.455 4.115 -4.372 680 2HD2 LEU 82 HD22 LEU 82 10.535 5.328 -5.060 681 3HD2 LEU 82 HD23 LEU 82 9.900 4.034 -6.077 682 H ASN 83 HN ASN 83 8.965 8.955 -8.746 683 HA ASN 83 HA ASN 83 7.241 10.350 -7.022 684 1HB ASN 83 HB2 ASN 83 9.173 11.292 -8.384 685 2HB ASN 83 HB1 ASN 83 8.079 11.297 -9.763 686 1HD2 ASN 83 HD21 ASN 83 9.030 12.868 -6.889 687 2HD2 ASN 83 HD22 ASN 83 7.905 14.178 -6.960 688 H HIS 84 HN HIS 84 6.700 8.769 -10.076 689 HA HIS 84 HA HIS 84 4.222 10.033 -10.674 690 1HB HIS 84 HB2 HIS 84 3.968 7.835 -12.108 691 2HB HIS 84 HB1 HIS 84 5.114 9.087 -12.573 692 HD1 HIS 84 HD1 HIS 84 7.657 8.592 -11.534 693 HD2 HIS 84 HD2 HIS 84 5.074 5.377 -12.039 694 HE1 HIS 84 HE1 HIS 84 9.123 6.550 -11.555 695 HE2 HIS 84 HE2 HIS 84 7.528 4.610 -11.762 696 H PHE 85 HN PHE 85 5.142 7.158 -8.868 697 HA PHE 85 HA PHE 85 2.556 6.050 -8.614 698 1HB PHE 85 HB2 PHE 85 4.764 4.900 -8.096 699 2HB PHE 85 HB1 PHE 85 4.771 5.792 -6.576 700 HD1 PHE 85 HD1 PHE 85 2.647 3.481 -8.581 701 HD2 PHE 85 HD2 PHE 85 3.748 4.875 -4.712 702 HE1 PHE 85 HE1 PHE 85 1.255 1.731 -7.557 703 HE2 PHE 85 HE2 PHE 85 2.355 3.124 -3.681 704 HZ PHE 85 HZ PHE 85 1.108 1.550 -5.106 705 H TRP 86 HN TRP 86 4.168 8.674 -7.031 706 HA TRP 86 HA TRP 86 2.402 8.776 -4.772 707 1HB TRP 86 HB2 TRP 86 4.782 9.640 -4.822 708 2HB TRP 86 HB1 TRP 86 4.194 10.978 -5.803 709 HD1 TRP 86 HD1 TRP 86 3.923 13.050 -4.375 710 HE1 TRP 86 HE1 TRP 86 3.129 13.571 -1.978 711 HE3 TRP 86 HE3 TRP 86 2.971 8.288 -2.791 712 HZ2 TRP 86 HZ2 TRP 86 2.218 12.140 0.285 713 HZ3 TRP 86 HZ3 TRP 86 2.140 7.948 -0.500 714 HH2 TRP 86 HH2 TRP 86 1.773 9.835 1.003 715 H GLU 87 HN GLU 87 2.850 10.762 -7.698 716 HA GLU 87 HA GLU 87 0.650 12.457 -7.262 717 1HB GLU 87 HB2 GLU 87 2.112 11.648 -9.775 718 2HB GLU 87 HB1 GLU 87 0.798 12.817 -9.782 719 1HG GLU 87 HG2 GLU 87 2.042 14.272 -8.304 720 2HG GLU 87 HG1 GLU 87 3.339 13.085 -8.192 721 H ILE 88 HN ILE 88 0.860 9.211 -8.219 722 HA ILE 88 HA ILE 88 -1.730 9.139 -9.539 723 HB ILE 88 HB ILE 88 0.323 7.031 -8.912 724 1HG1 ILE 88 HG12 ILE 88 -0.982 7.691 -11.549 725 2HG1 ILE 88 HG11 ILE 88 0.411 8.593 -10.952 726 1HG2 ILE 88 HG21 ILE 88 -1.574 5.776 -8.475 727 2HG2 ILE 88 HG22 ILE 88 -1.330 5.503 -10.200 728 3HG2 ILE 88 HG23 ILE 88 -2.551 6.653 -9.653 729 1HD1 ILE 88 HD11 ILE 88 1.438 6.185 -10.709 730 2HD1 ILE 88 HD12 ILE 88 1.449 7.040 -12.251 731 3HD1 ILE 88 HD13 ILE 88 0.234 5.800 -11.939 732 H VAL 89 HN VAL 89 -0.312 7.455 -6.736 733 HA VAL 89 HA VAL 89 -2.604 6.459 -5.609 734 HB VAL 89 HB VAL 89 -0.112 7.480 -4.251 735 1HG1 VAL 89 HG11 VAL 89 -1.751 7.585 -2.548 736 2HG1 VAL 89 HG12 VAL 89 -0.898 6.060 -2.308 737 3HG1 VAL 89 HG13 VAL 89 -2.492 6.070 -3.064 738 1HG2 VAL 89 HG21 VAL 89 0.737 5.401 -4.510 739 2HG2 VAL 89 HG22 VAL 89 -0.400 5.344 -5.856 740 3HG2 VAL 89 HG23 VAL 89 -0.830 4.618 -4.307 741 H VAL 90 HN VAL 90 -1.419 9.764 -5.489 742 HA VAL 90 HA VAL 90 -3.302 10.570 -3.462 743 HB VAL 90 HB VAL 90 -1.131 11.733 -3.729 744 1HG1 VAL 90 HG11 VAL 90 -1.206 11.642 -6.263 745 2HG1 VAL 90 HG12 VAL 90 -0.631 13.143 -5.538 746 3HG1 VAL 90 HG13 VAL 90 -2.271 13.045 -6.177 747 1HG2 VAL 90 HG21 VAL 90 -3.090 12.802 -2.647 748 2HG2 VAL 90 HG22 VAL 90 -3.482 13.563 -4.190 749 3HG2 VAL 90 HG23 VAL 90 -1.970 13.956 -3.371 750 H GLN 91 HN GLN 91 -2.954 11.156 -6.946 751 HA GLN 91 HA GLN 91 -5.249 12.580 -7.435 752 1HB GLN 91 HB2 GLN 91 -3.490 12.034 -9.115 753 2HB GLN 91 HB1 GLN 91 -4.150 10.408 -9.227 754 1HG GLN 91 HG2 GLN 91 -6.289 11.356 -9.991 755 2HG GLN 91 HG1 GLN 91 -5.570 12.964 -9.942 756 1HE2 GLN 91 HE21 GLN 91 -6.446 10.648 -11.983 757 2HE2 GLN 91 HE22 GLN 91 -5.282 10.863 -13.242 758 H ASP 92 HN ASP 92 -4.926 9.129 -6.881 759 HA ASP 92 HA ASP 92 -7.580 8.446 -7.663 760 1HB ASP 92 HB2 ASP 92 -5.356 7.060 -6.228 761 2HB ASP 92 HB1 ASP 92 -6.975 6.377 -6.130 762 H GLY 93 HN GLY 93 -6.691 10.418 -5.296 763 1HA GLY 93 HA2 GLY 93 -7.889 11.311 -3.543 764 2HA GLY 93 HA1 GLY 93 -9.155 10.134 -3.869 765 H ILE 94 HN ILE 94 -6.224 8.539 -3.526 766 HA ILE 94 HA ILE 94 -7.027 7.428 -1.009 767 HB ILE 94 HB ILE 94 -4.348 7.009 -2.318 768 1HG1 ILE 94 HG12 ILE 94 -6.829 5.389 -2.900 769 2HG1 ILE 94 HG11 ILE 94 -6.306 6.722 -3.927 770 1HG2 ILE 94 HG21 ILE 94 -4.453 4.841 -1.236 771 2HG2 ILE 94 HG22 ILE 94 -6.065 5.204 -0.622 772 3HG2 ILE 94 HG23 ILE 94 -4.676 6.127 -0.049 773 1HD1 ILE 94 HD11 ILE 94 -4.249 5.584 -4.430 774 2HD1 ILE 94 HD12 ILE 94 -5.610 4.511 -4.756 775 3HD1 ILE 94 HD13 ILE 94 -4.645 4.293 -3.296 776 H THR 95 HN THR 95 -6.223 7.802 0.994 777 HA THR 95 HA THR 95 -4.074 9.805 1.238 778 HB THR 95 HB THR 95 -5.153 10.872 3.054 779 HG1 THR 95 HG1 THR 95 -7.384 9.169 3.023 780 1HG2 THR 95 HG21 THR 95 -7.007 11.837 2.039 781 2HG2 THR 95 HG22 THR 95 -7.519 10.318 1.302 782 3HG2 THR 95 HG23 THR 95 -6.120 11.182 0.662 783 H LEU 96 HN LEU 96 -2.887 9.735 3.262 784 HA LEU 96 HA LEU 96 -1.848 7.263 3.877 785 1HB LEU 96 HB2 LEU 96 -1.855 9.908 5.251 786 2HB LEU 96 HB1 LEU 96 -1.253 8.516 6.136 787 HG LEU 96 HG LEU 96 0.296 10.122 4.622 788 1HD1 LEU 96 HD11 LEU 96 0.493 7.359 5.608 789 2HD1 LEU 96 HD12 LEU 96 1.526 8.755 5.910 790 3HD1 LEU 96 HD13 LEU 96 1.696 7.841 4.412 791 1HD2 LEU 96 HD21 LEU 96 -0.215 7.766 2.821 792 2HD2 LEU 96 HD22 LEU 96 0.827 9.157 2.523 793 3HD2 LEU 96 HD23 LEU 96 -0.926 9.359 2.557 794 H ILE 97 HN ILE 97 -1.758 6.461 6.264 795 HA ILE 97 HA ILE 97 -4.304 5.343 6.834 796 HB ILE 97 HB ILE 97 -1.565 5.100 7.894 797 1HG1 ILE 97 HG12 ILE 97 -2.346 2.672 7.993 798 2HG1 ILE 97 HG11 ILE 97 -3.848 3.234 7.263 799 1HG2 ILE 97 HG21 ILE 97 -2.414 3.851 9.928 800 2HG2 ILE 97 HG22 ILE 97 -3.951 4.677 9.669 801 3HG2 ILE 97 HG23 ILE 97 -2.491 5.614 9.995 802 1HD1 ILE 97 HD11 ILE 97 -2.333 4.225 5.434 803 2HD1 ILE 97 HD12 ILE 97 -2.603 2.483 5.456 804 3HD1 ILE 97 HD13 ILE 97 -1.099 3.150 6.089 805 H THR 98 HN THR 98 -5.925 6.363 7.812 806 HA THR 98 HA THR 98 -5.312 8.504 9.727 807 HB THR 98 HB THR 98 -7.964 8.770 9.374 808 HG1 THR 98 HG1 THR 98 -6.947 7.553 7.013 809 1HG2 THR 98 HG21 THR 98 -6.211 10.489 9.035 810 2HG2 THR 98 HG22 THR 98 -7.473 10.547 7.806 811 3HG2 THR 98 HG23 THR 98 -5.909 9.826 7.429 812 H LYS 99 HN LYS 99 -6.199 8.544 11.764 813 HA LYS 99 HA LYS 99 -6.534 6.176 13.142 814 1HB LYS 99 HB2 LYS 99 -7.732 7.690 14.861 815 2HB LYS 99 HB1 LYS 99 -6.050 8.015 14.472 816 1HG LYS 99 HG2 LYS 99 -7.377 9.556 12.643 817 2HG LYS 99 HG1 LYS 99 -8.422 9.658 14.061 818 1HD LYS 99 HD2 LYS 99 -6.112 10.048 15.289 819 2HD LYS 99 HD1 LYS 99 -5.622 10.593 13.684 820 1HE LYS 99 HE2 LYS 99 -6.447 12.422 15.140 821 2HE LYS 99 HE1 LYS 99 -7.371 12.239 13.649 822 1HZ LYS 99 HZ1 LYS 99 -9.082 11.081 14.863 823 2HZ LYS 99 HZ2 LYS 99 -8.790 12.575 15.598 824 3HZ LYS 99 HZ3 LYS 99 -8.182 11.158 16.294 825 H GLU 100 HN GLU 100 -9.070 8.349 11.910 826 HA GLU 100 HA GLU 100 -11.292 7.040 12.905 827 1HB GLU 100 HB2 GLU 100 -10.800 8.692 10.462 828 2HB GLU 100 HB1 GLU 100 -12.350 7.883 10.645 829 1HG GLU 100 HG2 GLU 100 -12.687 9.014 12.785 830 2HG GLU 100 HG1 GLU 100 -11.136 9.832 12.591 831 H GLU 101 HN GLU 101 -9.271 6.229 10.169 832 HA GLU 101 HA GLU 101 -11.021 4.180 9.181 833 1HB GLU 101 HB2 GLU 101 -8.234 5.075 8.519 834 2HB GLU 101 HB1 GLU 101 -8.873 3.576 7.852 835 1HG GLU 101 HG2 GLU 101 -10.833 5.560 7.445 836 2HG GLU 101 HG1 GLU 101 -9.280 6.255 6.974 837 H ALA 102 HN ALA 102 -8.326 4.324 11.418 838 HA ALA 102 HA ALA 102 -8.877 1.605 12.237 839 1HB ALA 102 HB1 ALA 102 -6.530 0.860 11.978 840 2HB ALA 102 HB2 ALA 102 -6.199 2.337 11.071 841 3HB ALA 102 HB3 ALA 102 -7.349 1.156 10.444 842 H SER 103 HN SER 103 -8.310 1.167 14.288 843 HA SER 103 HA SER 103 -7.244 1.346 16.333 844 1HB SER 103 HB2 SER 103 -5.495 2.832 15.021 845 2HB SER 103 HB1 SER 103 -6.326 4.149 15.847 846 HG SER 103 HG SER 103 -5.837 2.166 17.582 847 H GLY 104 HN GLY 104 -8.220 4.686 15.478 848 1HA GLY 104 HA2 GLY 104 -10.553 5.289 16.153 849 2HA GLY 104 HA1 GLY 104 -10.183 4.499 17.680 850 H SER 105 HN SER 105 -9.474 7.263 15.632 851 HA SER 105 HA SER 105 -8.842 9.390 16.110 852 1HB SER 105 HB2 SER 105 -9.691 10.338 17.999 853 2HB SER 105 HB1 SER 105 -10.511 8.780 18.141 854 HG SER 105 HG SER 105 -9.524 8.670 19.989 855 H SER 106 HN SER 106 -7.036 6.865 16.553 856 HA SER 106 HA SER 106 -4.860 8.280 17.938 857 1HB SER 106 HB2 SER 106 -5.317 5.320 17.511 858 2HB SER 106 HB1 SER 106 -3.847 6.000 18.208 859 HG SER 106 HG SER 106 -5.206 6.937 19.842 860 H VAL 107 HN VAL 107 -3.960 9.424 16.300 861 HA VAL 107 HA VAL 107 -2.078 8.226 14.634 862 HB VAL 107 HB VAL 107 -4.733 8.519 13.377 863 1HG1 VAL 107 HG11 VAL 107 -2.255 9.511 11.974 864 2HG1 VAL 107 HG12 VAL 107 -3.721 10.429 12.320 865 3HG1 VAL 107 HG13 VAL 107 -3.765 9.101 11.159 866 1HG2 VAL 107 HG21 VAL 107 -2.738 6.592 13.583 867 2HG2 VAL 107 HG22 VAL 107 -2.710 7.094 11.892 868 3HG2 VAL 107 HG23 VAL 107 -4.207 6.498 12.611 869 H THR 108 HN THR 108 -0.748 9.744 13.648 870 HA THR 108 HA THR 108 -0.916 12.372 14.773 871 HB THR 108 HB THR 108 1.061 12.005 12.648 872 HG1 THR 108 HG1 THR 108 1.413 9.966 13.180 873 1HG2 THR 108 HG21 THR 108 1.241 12.615 15.601 874 2HG2 THR 108 HG22 THR 108 1.208 13.793 14.290 875 3HG2 THR 108 HG23 THR 108 2.585 12.704 14.461 876 H ALA 109 HN ALA 109 -1.018 14.338 13.686 877 HA ALA 109 HA ALA 109 -2.721 14.364 11.356 878 1HB ALA 109 HB1 ALA 109 -3.064 15.943 13.217 879 2HB ALA 109 HB2 ALA 109 -2.799 16.769 11.682 880 3HB ALA 109 HB3 ALA 109 -1.498 16.674 12.868 881 H GLU 110 HN GLU 110 0.554 14.246 11.922 882 HA GLU 110 HA GLU 110 1.396 15.846 9.647 883 1HB GLU 110 HB2 GLU 110 2.618 15.067 12.037 884 2HB GLU 110 HB1 GLU 110 3.451 14.145 10.793 885 1HG GLU 110 HG2 GLU 110 4.028 16.158 9.614 886 2HG GLU 110 HG1 GLU 110 3.068 17.128 10.728 887 H GLU 111 HN GLU 111 0.381 12.699 10.293 888 HA GLU 111 HA GLU 111 1.950 11.421 8.225 889 1HB GLU 111 HB2 GLU 111 1.541 9.931 9.957 890 2HB GLU 111 HB1 GLU 111 -0.106 10.503 10.202 891 1HG GLU 111 HG2 GLU 111 -0.941 9.262 8.455 892 2HG GLU 111 HG1 GLU 111 0.632 9.097 7.675 893 H ALA 112 HN ALA 112 -1.464 12.321 8.741 894 HA ALA 112 HA ALA 112 -2.136 11.466 6.060 895 1HB ALA 112 HB1 ALA 112 -3.808 10.906 7.557 896 2HB ALA 112 HB2 ALA 112 -4.436 12.368 6.794 897 3HB ALA 112 HB3 ALA 112 -3.710 12.453 8.400 898 H LYS 113 HN LYS 113 -1.961 14.527 7.858 899 HA LYS 113 HA LYS 113 -2.916 16.046 5.606 900 1HB LYS 113 HB2 LYS 113 -1.665 17.082 8.145 901 2HB LYS 113 HB1 LYS 113 -2.650 17.986 7.004 902 1HG LYS 113 HG2 LYS 113 -4.491 16.285 7.552 903 2HG LYS 113 HG1 LYS 113 -3.492 15.872 8.947 904 1HD LYS 113 HD2 LYS 113 -3.799 17.922 9.945 905 2HD LYS 113 HD1 LYS 113 -4.112 18.739 8.412 906 1HE LYS 113 HE2 LYS 113 -6.300 17.755 8.272 907 2HE LYS 113 HE1 LYS 113 -5.987 16.755 9.690 908 1HZ LYS 113 HZ1 LYS 113 -5.734 18.870 10.961 909 2HZ LYS 113 HZ2 LYS 113 -7.297 18.584 10.380 910 3HZ LYS 113 HZ3 LYS 113 -6.296 19.702 9.599 911 H LYS 114 HN LYS 114 0.247 15.726 7.241 912 HA LYS 114 HA LYS 114 1.558 17.629 5.624 913 1HB LYS 114 HB2 LYS 114 2.237 16.228 7.849 914 2HB LYS 114 HB1 LYS 114 3.206 15.409 6.632 915 1HG LYS 114 HG2 LYS 114 3.221 18.392 6.825 916 2HG LYS 114 HG1 LYS 114 4.207 17.414 7.913 917 1HD LYS 114 HD2 LYS 114 5.277 16.351 5.981 918 2HD LYS 114 HD1 LYS 114 4.293 17.337 4.897 919 1HE LYS 114 HE2 LYS 114 5.476 19.241 5.327 920 2HE LYS 114 HE1 LYS 114 5.896 18.738 6.965 921 1HZ LYS 114 HZ1 LYS 114 7.309 18.303 4.487 922 2HZ LYS 114 HZ2 LYS 114 7.201 16.929 5.467 923 3HZ LYS 114 HZ3 LYS 114 7.894 18.347 6.074 924 H PHE 115 HN PHE 115 0.982 14.187 5.195 925 HA PHE 115 HA PHE 115 2.803 13.836 3.050 926 1HB PHE 115 HB2 PHE 115 0.551 12.271 4.214 927 2HB PHE 115 HB1 PHE 115 1.114 11.838 2.601 928 HD1 PHE 115 HD1 PHE 115 2.603 10.113 2.541 929 HD2 PHE 115 HD2 PHE 115 2.672 12.756 5.873 930 HE1 PHE 115 HE1 PHE 115 4.438 8.812 3.528 931 HE2 PHE 115 HE2 PHE 115 4.509 11.459 6.869 932 HZ PHE 115 HZ PHE 115 5.393 9.483 5.696 933 H LEU 116 HN LEU 116 -0.711 14.409 3.133 934 HA LEU 116 HA LEU 116 -0.808 14.591 0.243 935 1HB LEU 116 HB2 LEU 116 -2.835 14.707 2.438 936 2HB LEU 116 HB1 LEU 116 -3.252 15.311 0.845 937 HG LEU 116 HG LEU 116 -2.171 12.836 0.290 938 1HD1 LEU 116 HD11 LEU 116 -2.940 11.249 1.804 939 2HD1 LEU 116 HD12 LEU 116 -4.023 12.392 2.601 940 3HD1 LEU 116 HD13 LEU 116 -2.280 12.516 2.839 941 1HD2 LEU 116 HD21 LEU 116 -4.213 13.938 -0.642 942 2HD2 LEU 116 HD22 LEU 116 -5.087 13.408 0.794 943 3HD2 LEU 116 HD23 LEU 116 -4.401 12.216 -0.310 944 H ALA 117 HN ALA 117 0.487 16.601 2.297 945 HA ALA 117 HA ALA 117 -0.870 19.057 1.590 946 1HB ALA 117 HB1 ALA 117 1.462 18.356 3.325 947 2HB ALA 117 HB2 ALA 117 -0.045 19.171 3.747 948 3HB ALA 117 HB3 ALA 117 1.196 20.029 2.834 949 HA PRO 118 HA PRO 118 1.502 20.100 -1.981 950 1HB PRO 118 HB2 PRO 118 1.821 22.790 -1.690 951 2HB PRO 118 HB1 PRO 118 0.295 22.041 -2.170 952 1HG PRO 118 HG2 PRO 118 1.167 23.004 0.527 953 2HG PRO 118 HG1 PRO 118 -0.400 23.204 -0.281 954 1HD PRO 118 HD2 PRO 118 0.004 21.340 1.625 955 2HD PRO 118 HD1 PRO 118 -1.090 21.065 0.254 956 H LYS 119 HN LYS 119 2.717 20.746 1.174 957 HA LYS 119 HA LYS 119 4.808 20.976 2.041 958 1HB LYS 119 HB2 LYS 119 4.918 18.933 0.196 959 2HB LYS 119 HB1 LYS 119 6.251 19.966 -0.299 960 1HG LYS 119 HG2 LYS 119 7.195 19.847 1.943 961 2HG LYS 119 HG1 LYS 119 5.844 18.837 2.464 962 1HD LYS 119 HD2 LYS 119 6.502 17.149 0.785 963 2HD LYS 119 HD1 LYS 119 7.891 18.149 0.355 964 1HE LYS 119 HE2 LYS 119 7.423 17.238 3.176 965 2HE LYS 119 HE1 LYS 119 8.253 16.214 2.005 966 1HZ LYS 119 HZ1 LYS 119 9.156 18.984 2.368 967 2HZ LYS 119 HZ2 LYS 119 10.040 17.618 1.905 968 3HZ LYS 119 HZ3 LYS 119 9.589 17.826 3.522 969 H ASP 120 HN ASP 120 7.286 21.499 0.923 970 HA ASP 120 HA ASP 120 7.089 23.747 -0.872 971 1HB ASP 120 HB2 ASP 120 6.510 24.636 1.444 972 2HB ASP 120 HB1 ASP 120 8.175 24.279 1.892 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -3.834 -11.129 -14.025 2 2H GLY 1 HT2 GLY 1 -4.498 -11.697 -12.577 3 3H GLY 1 HT3 GLY 1 -4.362 -10.032 -12.849 4 1HA GLY 1 HA1 GLY 1 -6.454 -10.080 -13.553 5 2HA GLY 1 HA2 GLY 1 -5.806 -10.858 -14.989 6 HA PRO 2 HA PRO 2 -8.071 -14.573 -14.354 7 1HB PRO 2 HB2 PRO 2 -5.542 -16.124 -14.151 8 2HB PRO 2 HB1 PRO 2 -6.911 -16.341 -15.245 9 1HG PRO 2 HG2 PRO 2 -4.624 -15.292 -16.118 10 2HG PRO 2 HG1 PRO 2 -6.187 -14.682 -16.694 11 1HD PRO 2 HD2 PRO 2 -4.305 -13.493 -14.701 12 2HD PRO 2 HD1 PRO 2 -5.301 -12.690 -15.932 13 H VAL 3 HN VAL 3 -5.166 -14.416 -12.310 14 HA VAL 3 HA VAL 3 -6.651 -15.762 -10.159 15 HB VAL 3 HB VAL 3 -3.689 -15.199 -10.207 16 1HG1 VAL 3 HG11 VAL 3 -3.559 -16.875 -8.492 17 2HG1 VAL 3 HG12 VAL 3 -5.273 -17.249 -8.667 18 3HG1 VAL 3 HG13 VAL 3 -4.773 -15.686 -8.023 19 1HG2 VAL 3 HG21 VAL 3 -5.199 -17.583 -11.253 20 2HG2 VAL 3 HG22 VAL 3 -3.482 -17.625 -10.850 21 3HG2 VAL 3 HG23 VAL 3 -4.064 -16.550 -12.121 22 H ASN 4 HN ASN 4 -4.588 -12.951 -10.803 23 HA ASN 4 HA ASN 4 -4.430 -10.909 -9.821 24 1HB ASN 4 HB2 ASN 4 -7.044 -11.262 -9.998 25 2HB ASN 4 HB1 ASN 4 -6.928 -11.337 -8.239 26 1HD2 ASN 4 HD21 ASN 4 -6.060 -9.360 -11.032 27 2HD2 ASN 4 HD22 ASN 4 -6.162 -7.843 -10.213 28 HA PRO 5 HA PRO 5 -2.226 -12.453 -6.170 29 1HB PRO 5 HB2 PRO 5 -1.505 -9.557 -6.138 30 2HB PRO 5 HB1 PRO 5 -0.467 -10.978 -5.966 31 1HG PRO 5 HG2 PRO 5 -0.521 -9.617 -8.249 32 2HG PRO 5 HG1 PRO 5 -0.426 -11.390 -8.250 33 1HD PRO 5 HD2 PRO 5 -2.749 -9.613 -8.840 34 2HD PRO 5 HD1 PRO 5 -2.309 -11.175 -9.560 35 H ALA 6 HN ALA 6 -4.171 -9.498 -6.331 36 HA ALA 6 HA ALA 6 -4.432 -9.120 -3.542 37 1HB ALA 6 HB1 ALA 6 -6.735 -8.145 -4.941 38 2HB ALA 6 HB2 ALA 6 -5.279 -7.797 -5.872 39 3HB ALA 6 HB3 ALA 6 -5.412 -7.241 -4.204 40 H GLU 7 HN GLU 7 -6.284 -10.972 -5.894 41 HA GLU 7 HA GLU 7 -8.411 -11.615 -4.093 42 1HB GLU 7 HB2 GLU 7 -7.576 -12.554 -6.813 43 2HB GLU 7 HB1 GLU 7 -8.790 -13.455 -5.916 44 1HG GLU 7 HG2 GLU 7 -9.266 -10.572 -6.012 45 2HG GLU 7 HG1 GLU 7 -9.296 -11.371 -7.584 46 H ASN 8 HN ASN 8 -5.555 -13.351 -5.290 47 HA ASN 8 HA ASN 8 -6.031 -15.777 -3.961 48 1HB ASN 8 HB2 ASN 8 -4.242 -15.063 -5.782 49 2HB ASN 8 HB1 ASN 8 -3.229 -14.825 -4.361 50 1HD2 ASN 8 HD21 ASN 8 -2.526 -16.572 -3.206 51 2HD2 ASN 8 HD22 ASN 8 -2.732 -18.203 -3.736 52 H PHE 9 HN PHE 9 -4.600 -12.773 -2.895 53 HA PHE 9 HA PHE 9 -3.542 -13.838 -0.451 54 1HB PHE 9 HB2 PHE 9 -2.379 -11.945 -1.077 55 2HB PHE 9 HB1 PHE 9 -3.818 -11.127 -1.673 56 HD1 PHE 9 HD1 PHE 9 -4.835 -9.489 -0.393 57 HD2 PHE 9 HD2 PHE 9 -2.174 -12.236 1.472 58 HE1 PHE 9 HE1 PHE 9 -4.962 -8.189 1.693 59 HE2 PHE 9 HE2 PHE 9 -2.296 -10.943 3.562 60 HZ PHE 9 HZ PHE 9 -3.692 -8.916 3.673 61 H ARG 10 HN ARG 10 -6.344 -11.830 -1.305 62 HA ARG 10 HA ARG 10 -7.406 -11.503 1.244 63 1HB ARG 10 HB2 ARG 10 -8.506 -11.413 -1.520 64 2HB ARG 10 HB1 ARG 10 -9.653 -11.484 -0.191 65 1HG ARG 10 HG2 ARG 10 -8.593 -9.487 0.793 66 2HG ARG 10 HG1 ARG 10 -7.523 -9.399 -0.607 67 1HD ARG 10 HD2 ARG 10 -9.482 -9.170 -2.072 68 2HD ARG 10 HD1 ARG 10 -10.533 -9.220 -0.655 69 HE ARG 10 HE ARG 10 -8.493 -7.130 -0.803 70 1HH1 ARG 10 HH11 ARG 10 -11.844 -8.066 -0.960 71 2HH1 ARG 10 HH12 ARG 10 -12.438 -6.448 -0.789 72 1HH2 ARG 10 HH21 ARG 10 -9.265 -4.996 -0.576 73 2HH2 ARG 10 HH22 ARG 10 -10.971 -4.703 -0.570 74 H VAL 11 HN VAL 11 -7.737 -14.182 -1.021 75 HA VAL 11 HA VAL 11 -9.729 -15.516 0.582 76 HB VAL 11 HB VAL 11 -9.701 -15.804 -1.860 77 1HG1 VAL 11 HG11 VAL 11 -7.188 -15.775 -2.037 78 2HG1 VAL 11 HG12 VAL 11 -8.007 -16.998 -3.009 79 3HG1 VAL 11 HG13 VAL 11 -7.211 -17.455 -1.502 80 1HG2 VAL 11 HG21 VAL 11 -9.153 -18.389 -0.407 81 2HG2 VAL 11 HG22 VAL 11 -10.076 -18.190 -1.897 82 3HG2 VAL 11 HG23 VAL 11 -10.688 -17.521 -0.384 83 H LEU 12 HN LEU 12 -6.259 -15.866 -0.014 84 HA LEU 12 HA LEU 12 -5.829 -18.240 1.382 85 1HB LEU 12 HB2 LEU 12 -4.184 -17.053 -0.082 86 2HB LEU 12 HB1 LEU 12 -3.932 -15.900 1.219 87 HG LEU 12 HG LEU 12 -3.505 -18.337 2.452 88 1HD1 LEU 12 HD11 LEU 12 -2.059 -19.621 1.064 89 2HD1 LEU 12 HD12 LEU 12 -2.130 -18.419 -0.224 90 3HD1 LEU 12 HD13 LEU 12 -3.560 -19.371 0.174 91 1HD2 LEU 12 HD21 LEU 12 -2.205 -16.342 2.829 92 2HD2 LEU 12 HD22 LEU 12 -1.541 -16.424 1.198 93 3HD2 LEU 12 HD23 LEU 12 -1.127 -17.665 2.382 94 H VAL 13 HN VAL 13 -6.248 -14.965 2.541 95 HA VAL 13 HA VAL 13 -5.544 -15.766 5.264 96 HB VAL 13 HB VAL 13 -5.834 -13.394 5.850 97 1HG1 VAL 13 HG11 VAL 13 -3.656 -14.226 5.095 98 2HG1 VAL 13 HG12 VAL 13 -3.904 -12.540 4.641 99 3HG1 VAL 13 HG13 VAL 13 -4.078 -13.814 3.434 100 1HG2 VAL 13 HG21 VAL 13 -5.979 -11.845 3.754 101 2HG2 VAL 13 HG22 VAL 13 -7.451 -12.492 4.478 102 3HG2 VAL 13 HG23 VAL 13 -6.784 -13.233 3.023 103 H LYS 14 HN LYS 14 -8.243 -15.812 3.341 104 HA LYS 14 HA LYS 14 -10.036 -15.528 5.661 105 1HB LYS 14 HB2 LYS 14 -10.194 -13.962 3.527 106 2HB LYS 14 HB1 LYS 14 -11.091 -15.331 2.880 107 1HG LYS 14 HG2 LYS 14 -12.360 -15.122 5.188 108 2HG LYS 14 HG1 LYS 14 -11.796 -13.456 5.061 109 1HD LYS 14 HD2 LYS 14 -12.887 -13.184 2.939 110 2HD LYS 14 HD1 LYS 14 -13.304 -14.898 2.885 111 1HE LYS 14 HE2 LYS 14 -14.824 -14.662 4.708 112 2HE LYS 14 HE1 LYS 14 -14.269 -13.020 5.032 113 1HZ LYS 14 HZ1 LYS 14 -15.707 -13.910 2.589 114 2HZ LYS 14 HZ2 LYS 14 -15.174 -12.335 2.897 115 3HZ LYS 14 HZ3 LYS 14 -16.380 -13.022 3.864 116 H GLN 15 HN GLN 15 -8.641 -17.932 5.032 117 HA GLN 15 HA GLN 15 -10.867 -19.647 4.142 118 1HB GLN 15 HB2 GLN 15 -9.061 -21.339 3.626 119 2HB GLN 15 HB1 GLN 15 -9.092 -19.918 2.588 120 1HG GLN 15 HG2 GLN 15 -7.193 -18.996 3.616 121 2HG GLN 15 HG1 GLN 15 -7.288 -20.114 4.975 122 1HE2 GLN 15 HE21 GLN 15 -7.628 -22.506 3.722 123 2HE2 GLN 15 HE22 GLN 15 -6.230 -22.883 2.779 124 H LYS 16 HN LYS 16 -8.265 -19.237 6.484 125 HA LYS 16 HA LYS 16 -9.769 -20.601 8.501 126 1HB LYS 16 HB2 LYS 16 -7.781 -22.228 8.924 127 2HB LYS 16 HB1 LYS 16 -8.983 -22.634 7.706 128 1HG LYS 16 HG2 LYS 16 -7.476 -21.745 5.967 129 2HG LYS 16 HG1 LYS 16 -6.261 -21.444 7.212 130 1HD LYS 16 HD2 LYS 16 -6.442 -23.911 7.780 131 2HD LYS 16 HD1 LYS 16 -7.363 -24.087 6.284 132 1HE LYS 16 HE2 LYS 16 -5.500 -23.277 4.988 133 2HE LYS 16 HE1 LYS 16 -4.588 -22.920 6.454 134 1HZ LYS 16 HZ1 LYS 16 -5.503 -25.654 5.780 135 2HZ LYS 16 HZ2 LYS 16 -4.341 -25.195 6.921 136 3HZ LYS 16 HZ3 LYS 16 -4.008 -25.046 5.270 137 H LYS 17 HN LYS 17 -6.269 -20.206 7.973 138 HA LYS 17 HA LYS 17 -5.987 -17.866 9.486 139 1HB LYS 17 HB2 LYS 17 -6.576 -19.881 11.173 140 2HB LYS 17 HB1 LYS 17 -4.830 -20.077 11.088 141 1HG LYS 17 HG2 LYS 17 -5.074 -18.671 12.891 142 2HG LYS 17 HG1 LYS 17 -4.774 -17.531 11.578 143 1HD LYS 17 HD2 LYS 17 -7.315 -17.399 11.347 144 2HD LYS 17 HD1 LYS 17 -7.380 -18.204 12.917 145 1HE LYS 17 HE2 LYS 17 -7.459 -15.987 13.536 146 2HE LYS 17 HE1 LYS 17 -5.729 -16.316 13.635 147 1HZ LYS 17 HZ1 LYS 17 -6.458 -14.210 12.446 148 2HZ LYS 17 HZ2 LYS 17 -6.956 -15.216 11.181 149 3HZ LYS 17 HZ3 LYS 17 -5.331 -15.189 11.648 150 H ALA 18 HN ALA 18 -4.782 -17.730 7.441 151 HA ALA 18 HA ALA 18 -2.341 -19.252 7.203 152 1HB ALA 18 HB1 ALA 18 -1.958 -17.690 5.238 153 2HB ALA 18 HB2 ALA 18 -3.560 -17.035 5.581 154 3HB ALA 18 HB3 ALA 18 -3.376 -18.736 5.153 155 H SER 19 HN SER 19 -3.166 -16.819 9.188 156 HA SER 19 HA SER 19 -2.039 -15.300 10.437 157 1HB SER 19 HB2 SER 19 0.489 -16.563 9.361 158 2HB SER 19 HB1 SER 19 0.293 -15.671 10.873 159 HG SER 19 HG SER 19 0.088 -18.239 10.560 160 H PHE 20 HN PHE 20 -1.562 -13.202 10.184 161 HA PHE 20 HA PHE 20 -1.188 -12.173 7.530 162 1HB PHE 20 HB2 PHE 20 -2.440 -11.196 9.701 163 2HB PHE 20 HB1 PHE 20 -0.892 -10.380 9.881 164 HD1 PHE 20 HD1 PHE 20 -3.500 -11.052 7.302 165 HD2 PHE 20 HD2 PHE 20 -0.582 -8.359 8.834 166 HE1 PHE 20 HE1 PHE 20 -4.210 -9.357 5.666 167 HE2 PHE 20 HE2 PHE 20 -1.287 -6.659 7.203 168 HZ PHE 20 HZ PHE 20 -3.104 -7.157 5.615 169 H GLU 21 HN GLU 21 0.934 -13.525 7.516 170 HA GLU 21 HA GLU 21 3.121 -11.650 8.015 171 1HB GLU 21 HB2 GLU 21 2.689 -14.007 9.551 172 2HB GLU 21 HB1 GLU 21 4.111 -14.270 8.551 173 1HG GLU 21 HG2 GLU 21 5.052 -12.149 9.410 174 2HG GLU 21 HG1 GLU 21 3.661 -12.009 10.485 175 H GLU 22 HN GLU 22 2.634 -14.993 6.849 176 HA GLU 22 HA GLU 22 4.610 -14.827 4.849 177 1HB GLU 22 HB2 GLU 22 2.331 -16.698 5.393 178 2HB GLU 22 HB1 GLU 22 3.255 -16.844 3.905 179 1HG GLU 22 HG2 GLU 22 5.309 -16.869 5.486 180 2HG GLU 22 HG1 GLU 22 4.126 -17.289 6.722 181 H ALA 23 HN ALA 23 1.081 -14.485 4.722 182 HA ALA 23 HA ALA 23 0.978 -14.027 1.914 183 1HB ALA 23 HB1 ALA 23 -1.170 -12.993 3.684 184 2HB ALA 23 HB2 ALA 23 -0.884 -14.732 3.657 185 3HB ALA 23 HB3 ALA 23 -1.284 -13.880 2.165 186 H SER 24 HN SER 24 1.520 -12.016 4.692 187 HA SER 24 HA SER 24 0.938 -9.530 3.393 188 1HB SER 24 HB2 SER 24 2.538 -10.078 5.906 189 2HB SER 24 HB1 SER 24 1.933 -8.504 5.391 190 HG SER 24 HG SER 24 0.341 -10.772 6.013 191 H ASN 25 HN ASN 25 3.987 -10.967 4.555 192 HA ASN 25 HA ASN 25 5.734 -9.177 3.366 193 1HB ASN 25 HB2 ASN 25 5.942 -11.996 4.301 194 2HB ASN 25 HB1 ASN 25 7.244 -11.381 3.286 195 1HD2 ASN 25 HD21 ASN 25 5.664 -11.188 6.351 196 2HD2 ASN 25 HD22 ASN 25 6.835 -10.183 7.128 197 H GLN 26 HN GLN 26 4.267 -12.097 2.017 198 HA GLN 26 HA GLN 26 5.708 -12.148 -0.400 199 1HB GLN 26 HB2 GLN 26 3.161 -13.334 0.583 200 2HB GLN 26 HB1 GLN 26 3.422 -13.304 -1.156 201 1HG GLN 26 HG2 GLN 26 5.626 -14.431 -0.743 202 2HG GLN 26 HG1 GLN 26 5.120 -14.636 0.935 203 1HE2 GLN 26 HE21 GLN 26 5.407 -16.238 -1.831 204 2HE2 GLN 26 HE22 GLN 26 4.105 -17.364 -1.693 205 H LEU 27 HN LEU 27 2.585 -10.684 0.441 206 HA LEU 27 HA LEU 27 1.906 -9.698 -2.071 207 1HB LEU 27 HB2 LEU 27 0.726 -9.658 0.350 208 2HB LEU 27 HB1 LEU 27 1.275 -7.994 0.269 209 HG LEU 27 HG LEU 27 -1.042 -8.231 -0.492 210 1HD1 LEU 27 HD11 LEU 27 0.265 -7.610 -3.042 211 2HD1 LEU 27 HD12 LEU 27 0.911 -6.748 -1.645 212 3HD1 LEU 27 HD13 LEU 27 -0.805 -6.628 -2.040 213 1HD2 LEU 27 HD21 LEU 27 -1.743 -9.611 -2.176 214 2HD2 LEU 27 HD22 LEU 27 -0.449 -10.593 -1.487 215 3HD2 LEU 27 HD23 LEU 27 -0.159 -9.653 -2.951 216 H ILE 28 HN ILE 28 3.854 -8.209 0.504 217 HA ILE 28 HA ILE 28 4.271 -5.750 -0.817 218 HB ILE 28 HB ILE 28 5.700 -7.165 1.407 219 1HG1 ILE 28 HG12 ILE 28 4.913 -4.478 1.967 220 2HG1 ILE 28 HG11 ILE 28 3.568 -5.292 1.169 221 1HG2 ILE 28 HG21 ILE 28 7.559 -6.151 0.453 222 2HG2 ILE 28 HG22 ILE 28 7.005 -4.946 1.615 223 3HG2 ILE 28 HG23 ILE 28 6.637 -4.753 -0.099 224 1HD1 ILE 28 HD11 ILE 28 4.692 -7.011 3.157 225 2HD1 ILE 28 HD12 ILE 28 3.060 -6.352 3.036 226 3HD1 ILE 28 HD13 ILE 28 4.323 -5.437 3.860 227 H ASN 29 HN ASN 29 6.118 -8.770 -0.756 228 HA ASN 29 HA ASN 29 8.347 -7.884 -2.209 229 1HB ASN 29 HB2 ASN 29 7.716 -10.200 -0.969 230 2HB ASN 29 HB1 ASN 29 7.458 -10.678 -2.644 231 1HD2 ASN 29 HD21 ASN 29 9.813 -9.099 -0.532 232 2HD2 ASN 29 HD22 ASN 29 11.211 -9.704 -1.347 233 H HIS 30 HN HIS 30 5.291 -9.331 -3.261 234 HA HIS 30 HA HIS 30 5.858 -9.524 -5.991 235 1HB HIS 30 HB2 HIS 30 3.625 -9.948 -4.324 236 2HB HIS 30 HB1 HIS 30 3.096 -8.809 -5.560 237 HD1 HIS 30 HD1 HIS 30 5.281 -11.929 -5.743 238 HD2 HIS 30 HD2 HIS 30 1.911 -10.253 -7.503 239 HE1 HIS 30 HE1 HIS 30 4.582 -13.548 -7.536 240 HE2 HIS 30 HE2 HIS 30 2.488 -12.558 -8.524 241 H ILE 31 HN ILE 31 4.316 -6.906 -4.147 242 HA ILE 31 HA ILE 31 3.823 -5.138 -6.228 243 HB ILE 31 HB ILE 31 4.660 -4.474 -3.400 244 1HG1 ILE 31 HG12 ILE 31 1.870 -4.415 -4.534 245 2HG1 ILE 31 HG11 ILE 31 2.552 -5.891 -3.853 246 1HG2 ILE 31 HG21 ILE 31 3.363 -2.330 -3.929 247 2HG2 ILE 31 HG22 ILE 31 3.581 -2.771 -5.621 248 3HG2 ILE 31 HG23 ILE 31 4.988 -2.492 -4.595 249 1HD1 ILE 31 HD11 ILE 31 1.372 -4.972 -2.089 250 2HD1 ILE 31 HD12 ILE 31 1.864 -3.326 -2.485 251 3HD1 ILE 31 HD13 ILE 31 3.027 -4.447 -1.776 252 H GLU 32 HN GLU 32 6.755 -5.527 -4.267 253 HA GLU 32 HA GLU 32 8.227 -3.505 -5.632 254 1HB GLU 32 HB2 GLU 32 9.211 -5.828 -3.964 255 2HB GLU 32 HB1 GLU 32 10.185 -4.453 -4.469 256 1HG GLU 32 HG2 GLU 32 8.602 -2.980 -3.218 257 2HG GLU 32 HG1 GLU 32 7.840 -4.441 -2.587 258 H GLN 33 HN GLN 33 7.619 -6.873 -6.169 259 HA GLN 33 HA GLN 33 9.779 -7.416 -7.918 260 1HB GLN 33 HB2 GLN 33 7.299 -8.752 -7.083 261 2HB GLN 33 HB1 GLN 33 7.798 -9.131 -8.725 262 1HG GLN 33 HG2 GLN 33 9.795 -9.280 -6.520 263 2HG GLN 33 HG1 GLN 33 8.616 -10.577 -6.718 264 1HE2 GLN 33 HE21 GLN 33 8.913 -12.054 -8.278 265 2HE2 GLN 33 HE22 GLN 33 10.215 -12.036 -9.415 266 H PHE 34 HN PHE 34 6.675 -5.901 -8.314 267 HA PHE 34 HA PHE 34 6.734 -6.037 -11.200 268 1HB PHE 34 HB2 PHE 34 4.912 -4.664 -9.223 269 2HB PHE 34 HB1 PHE 34 4.749 -4.447 -10.962 270 HD1 PHE 34 HD1 PHE 34 4.882 -6.879 -12.233 271 HD2 PHE 34 HD2 PHE 34 3.423 -6.130 -8.306 272 HE1 PHE 34 HE1 PHE 34 3.510 -8.917 -12.359 273 HE2 PHE 34 HE2 PHE 34 2.048 -8.168 -8.424 274 HZ PHE 34 HZ PHE 34 2.092 -9.564 -10.452 275 H LEU 35 HN LEU 35 7.744 -3.901 -8.674 276 HA LEU 35 HA LEU 35 7.987 -1.537 -10.249 277 1HB LEU 35 HB2 LEU 35 8.864 -2.431 -7.557 278 2HB LEU 35 HB1 LEU 35 9.753 -1.099 -8.278 279 HG LEU 35 HG LEU 35 6.795 -0.884 -8.297 280 1HD1 LEU 35 HD11 LEU 35 6.873 0.039 -5.966 281 2HD1 LEU 35 HD12 LEU 35 8.461 -0.710 -5.797 282 3HD1 LEU 35 HD13 LEU 35 7.038 -1.713 -6.084 283 1HD2 LEU 35 HD21 LEU 35 7.208 1.345 -8.400 284 2HD2 LEU 35 HD22 LEU 35 8.747 0.771 -9.043 285 3HD2 LEU 35 HD23 LEU 35 8.622 1.245 -7.349 286 H ASP 36 HN ASP 36 9.800 -4.401 -9.991 287 HA ASP 36 HA ASP 36 12.362 -3.346 -10.702 288 1HB ASP 36 HB2 ASP 36 11.850 -5.580 -9.534 289 2HB ASP 36 HB1 ASP 36 11.480 -6.193 -11.142 290 H THR 37 HN THR 37 9.566 -3.524 -12.412 291 HA THR 37 HA THR 37 11.003 -3.505 -14.960 292 HB THR 37 HB THR 37 8.678 -4.567 -15.791 293 HG1 THR 37 HG1 THR 37 9.166 -5.814 -13.273 294 1HG2 THR 37 HG21 THR 37 10.918 -6.279 -14.715 295 2HG2 THR 37 HG22 THR 37 11.021 -5.359 -16.216 296 3HG2 THR 37 HG23 THR 37 9.829 -6.648 -16.053 297 H ASN 38 HN ASN 38 10.517 -1.804 -16.145 298 HA ASN 38 HA ASN 38 8.551 0.092 -15.225 299 1HB ASN 38 HB2 ASN 38 10.767 0.078 -17.188 300 2HB ASN 38 HB1 ASN 38 9.414 1.144 -17.569 301 1HD2 ASN 38 HD21 ASN 38 11.904 0.399 -15.230 302 2HD2 ASN 38 HD22 ASN 38 11.899 1.939 -14.447 303 H GLU 39 HN GLU 39 6.496 0.130 -15.836 304 HA GLU 39 HA GLU 39 5.656 -0.325 -18.518 305 1HB GLU 39 HB2 GLU 39 5.574 -2.555 -16.609 306 2HB GLU 39 HB1 GLU 39 4.031 -2.228 -17.385 307 1HG GLU 39 HG2 GLU 39 6.639 -2.808 -18.769 308 2HG GLU 39 HG1 GLU 39 5.264 -3.899 -18.613 309 H THR 40 HN THR 40 3.506 0.314 -18.864 310 HA THR 40 HA THR 40 2.471 2.097 -16.874 311 HB THR 40 HB THR 40 1.001 1.314 -19.381 312 HG1 THR 40 HG1 THR 40 2.521 2.226 -20.525 313 1HG2 THR 40 HG21 THR 40 -0.169 2.753 -17.779 314 2HG2 THR 40 HG22 THR 40 0.205 3.625 -19.266 315 3HG2 THR 40 HG23 THR 40 1.176 3.893 -17.819 316 HA PRO 41 HA PRO 41 -1.177 -1.083 -16.757 317 1HB PRO 41 HB2 PRO 41 -0.072 -3.584 -17.801 318 2HB PRO 41 HB1 PRO 41 -1.555 -2.740 -18.261 319 1HG PRO 41 HG2 PRO 41 0.589 -2.888 -19.895 320 2HG PRO 41 HG1 PRO 41 -0.499 -1.487 -19.875 321 1HD PRO 41 HD2 PRO 41 2.194 -1.817 -18.600 322 2HD PRO 41 HD1 PRO 41 1.524 -0.422 -19.473 323 H TYR 42 HN TYR 42 2.052 -1.520 -15.924 324 HA TYR 42 HA TYR 42 1.618 -3.692 -14.054 325 1HB TYR 42 HB2 TYR 42 3.955 -2.168 -15.057 326 2HB TYR 42 HB1 TYR 42 4.082 -2.807 -13.422 327 HD1 TYR 42 HD1 TYR 42 5.425 -4.683 -13.437 328 HD2 TYR 42 HD2 TYR 42 2.580 -4.182 -16.562 329 HE1 TYR 42 HE1 TYR 42 6.038 -6.885 -14.341 330 HE2 TYR 42 HE2 TYR 42 3.185 -6.383 -17.473 331 HH TYR 42 HH TYR 42 5.792 -7.921 -16.991 332 H PHE 43 HN PHE 43 2.180 -0.200 -13.947 333 HA PHE 43 HA PHE 43 2.381 0.045 -11.154 334 1HB PHE 43 HB2 PHE 43 1.611 1.967 -13.337 335 2HB PHE 43 HB1 PHE 43 1.575 2.452 -11.643 336 HD1 PHE 43 HD1 PHE 43 3.447 2.773 -14.433 337 HD2 PHE 43 HD2 PHE 43 3.876 1.453 -10.410 338 HE1 PHE 43 HE1 PHE 43 5.856 3.265 -14.532 339 HE2 PHE 43 HE2 PHE 43 6.285 1.943 -10.502 340 HZ PHE 43 HZ PHE 43 7.278 2.850 -12.565 341 H MET 44 HN MET 44 -0.355 -0.287 -13.274 342 HA MET 44 HA MET 44 -2.349 0.629 -11.480 343 1HB MET 44 HB2 MET 44 -2.490 -1.264 -13.831 344 2HB MET 44 HB1 MET 44 -3.903 -0.694 -12.953 345 1HG MET 44 HG2 MET 44 -3.399 1.593 -13.575 346 2HG MET 44 HG1 MET 44 -1.935 1.063 -14.401 347 1HE MET 44 HE1 MET 44 -4.574 2.803 -15.570 348 2HE MET 44 HE2 MET 44 -4.507 2.193 -17.223 349 3HE MET 44 HE3 MET 44 -3.017 2.611 -16.378 350 H LYS 45 HN LYS 45 -0.727 -2.425 -11.965 351 HA LYS 45 HA LYS 45 -2.489 -3.971 -10.333 352 1HB LYS 45 HB2 LYS 45 -0.725 -4.696 -12.164 353 2HB LYS 45 HB1 LYS 45 0.357 -4.765 -10.778 354 1HG LYS 45 HG2 LYS 45 -0.520 -6.682 -10.067 355 2HG LYS 45 HG1 LYS 45 -2.172 -6.099 -10.275 356 1HD LYS 45 HD2 LYS 45 -1.800 -6.477 -12.776 357 2HD LYS 45 HD1 LYS 45 -0.374 -7.402 -12.301 358 1HE LYS 45 HE2 LYS 45 -2.091 -8.591 -10.699 359 2HE LYS 45 HE1 LYS 45 -3.262 -8.002 -11.878 360 1HZ LYS 45 HZ1 LYS 45 -2.384 -10.278 -12.311 361 2HZ LYS 45 HZ2 LYS 45 -0.869 -9.590 -12.613 362 3HZ LYS 45 HZ3 LYS 45 -2.185 -9.199 -13.599 363 H SER 46 HN SER 46 0.327 -1.993 -9.768 364 HA SER 46 HA SER 46 0.969 -3.024 -7.196 365 1HB SER 46 HB2 SER 46 1.585 -0.193 -7.948 366 2HB SER 46 HB1 SER 46 2.591 -1.372 -7.104 367 HG SER 46 HG SER 46 2.906 -2.435 -9.078 368 H ILE 47 HN ILE 47 -0.728 -0.080 -8.267 369 HA ILE 47 HA ILE 47 -1.495 0.831 -5.744 370 HB ILE 47 HB ILE 47 -3.087 1.152 -8.292 371 1HG1 ILE 47 HG12 ILE 47 -1.132 3.196 -7.329 372 2HG1 ILE 47 HG11 ILE 47 -0.517 1.790 -8.190 373 1HG2 ILE 47 HG21 ILE 47 -3.823 3.259 -7.244 374 2HG2 ILE 47 HG22 ILE 47 -2.938 2.820 -5.783 375 3HG2 ILE 47 HG23 ILE 47 -4.303 1.838 -6.316 376 1HD1 ILE 47 HD11 ILE 47 -1.933 2.328 -10.094 377 2HD1 ILE 47 HD12 ILE 47 -0.869 3.673 -9.684 378 3HD1 ILE 47 HD13 ILE 47 -2.572 3.725 -9.229 379 H ASP 48 HN ASP 48 -3.124 -1.366 -7.998 380 HA ASP 48 HA ASP 48 -5.491 -1.723 -6.533 381 1HB ASP 48 HB2 ASP 48 -4.826 -2.515 -8.942 382 2HB ASP 48 HB1 ASP 48 -4.276 -3.970 -8.112 383 H CYS 49 HN CYS 49 -2.296 -2.926 -6.092 384 HA CYS 49 HA CYS 49 -3.064 -5.056 -4.297 385 1HB CYS 49 HB2 CYS 49 -0.509 -4.022 -5.421 386 2HB CYS 49 HB1 CYS 49 -0.428 -4.874 -3.880 387 HG CYS 49 HG CYS 49 -0.509 -6.128 -6.869 388 H ILE 50 HN ILE 50 -1.448 -1.885 -4.034 389 HA ILE 50 HA ILE 50 -1.116 -1.901 -1.254 390 HB ILE 50 HB ILE 50 -0.275 -0.234 -3.147 391 1HG1 ILE 50 HG12 ILE 50 -0.806 0.911 -0.411 392 2HG1 ILE 50 HG11 ILE 50 0.324 -0.423 -0.647 393 1HG2 ILE 50 HG21 ILE 50 -1.429 1.733 -3.419 394 2HG2 ILE 50 HG22 ILE 50 -2.312 1.552 -1.904 395 3HG2 ILE 50 HG23 ILE 50 -2.753 0.574 -3.303 396 1HD1 ILE 50 HD11 ILE 50 1.742 0.906 -1.994 397 2HD1 ILE 50 HD12 ILE 50 1.336 1.865 -0.572 398 3HD1 ILE 50 HD13 ILE 50 0.539 2.189 -2.112 399 H ARG 51 HN ARG 51 -3.879 -1.331 -3.249 400 HA ARG 51 HA ARG 51 -5.446 0.013 -1.257 401 1HB ARG 51 HB2 ARG 51 -5.909 -1.071 -3.990 402 2HB ARG 51 HB1 ARG 51 -7.316 -0.882 -2.951 403 1HG ARG 51 HG2 ARG 51 -5.516 1.437 -3.048 404 2HG ARG 51 HG1 ARG 51 -6.336 1.048 -4.562 405 1HD ARG 51 HD2 ARG 51 -8.474 0.932 -3.172 406 2HD ARG 51 HD1 ARG 51 -7.548 1.717 -1.894 407 HE ARG 51 HE ARG 51 -7.452 3.667 -3.185 408 1HH1 ARG 51 HH11 ARG 51 -9.154 1.104 -4.822 409 2HH1 ARG 51 HH12 ARG 51 -9.873 2.157 -5.995 410 1HH2 ARG 51 HH21 ARG 51 -8.395 5.059 -4.724 411 2HH2 ARG 51 HH22 ARG 51 -9.441 4.404 -5.940 412 H ALA 52 HN ALA 52 -5.580 -3.239 -2.708 413 HA ALA 52 HA ALA 52 -7.515 -4.327 -1.038 414 1HB ALA 52 HB1 ALA 52 -6.715 -5.433 -3.063 415 2HB ALA 52 HB2 ALA 52 -6.631 -6.512 -1.671 416 3HB ALA 52 HB3 ALA 52 -5.165 -5.748 -2.285 417 H PHE 53 HN PHE 53 -4.062 -3.930 -0.528 418 HA PHE 53 HA PHE 53 -3.991 -5.480 1.884 419 1HB PHE 53 HB2 PHE 53 -2.061 -4.814 0.201 420 2HB PHE 53 HB1 PHE 53 -1.914 -3.420 1.270 421 HD1 PHE 53 HD1 PHE 53 -2.191 -4.324 3.905 422 HD2 PHE 53 HD2 PHE 53 -0.459 -6.388 0.610 423 HE1 PHE 53 HE1 PHE 53 -0.831 -5.657 5.460 424 HE2 PHE 53 HE2 PHE 53 0.903 -7.727 2.163 425 HZ PHE 53 HZ PHE 53 0.717 -7.361 4.590 426 H ARG 54 HN ARG 54 -3.790 -1.992 1.183 427 HA ARG 54 HA ARG 54 -3.612 -0.943 3.688 428 1HB ARG 54 HB2 ARG 54 -4.816 -0.034 1.152 429 2HB ARG 54 HB1 ARG 54 -5.398 0.793 2.592 430 1HG ARG 54 HG2 ARG 54 -2.921 1.125 3.164 431 2HG ARG 54 HG1 ARG 54 -2.620 0.687 1.480 432 1HD ARG 54 HD2 ARG 54 -2.823 2.933 1.211 433 2HD ARG 54 HD1 ARG 54 -4.530 2.499 1.086 434 HE ARG 54 HE ARG 54 -3.217 3.697 3.427 435 1HH1 ARG 54 HH11 ARG 54 -6.104 2.760 1.715 436 2HH1 ARG 54 HH12 ARG 54 -7.167 3.635 2.767 437 1HH2 ARG 54 HH21 ARG 54 -4.608 4.851 4.817 438 2HH2 ARG 54 HH22 ARG 54 -6.317 4.824 4.530 439 H GLU 55 HN GLU 55 -6.565 -2.061 2.086 440 HA GLU 55 HA GLU 55 -8.309 -1.307 4.203 441 1HB GLU 55 HB2 GLU 55 -8.586 -3.091 1.803 442 2HB GLU 55 HB1 GLU 55 -9.870 -2.980 2.998 443 1HG GLU 55 HG2 GLU 55 -10.081 -0.606 2.606 444 2HG GLU 55 HG1 GLU 55 -8.723 -0.646 1.485 445 H GLU 56 HN GLU 56 -6.815 -4.397 3.278 446 HA GLU 56 HA GLU 56 -8.093 -5.966 5.237 447 1HB GLU 56 HB2 GLU 56 -5.586 -6.296 3.619 448 2HB GLU 56 HB1 GLU 56 -6.015 -7.470 4.859 449 1HG GLU 56 HG2 GLU 56 -8.272 -6.926 3.167 450 2HG GLU 56 HG1 GLU 56 -6.872 -7.397 2.204 451 H ALA 57 HN ALA 57 -5.349 -3.830 5.382 452 HA ALA 57 HA ALA 57 -4.416 -4.903 7.905 453 1HB ALA 57 HB1 ALA 57 -3.468 -2.360 6.624 454 2HB ALA 57 HB2 ALA 57 -2.933 -3.944 6.062 455 3HB ALA 57 HB3 ALA 57 -2.599 -3.437 7.718 456 H ILE 58 HN ILE 58 -5.651 -1.750 6.762 457 HA ILE 58 HA ILE 58 -5.858 -0.536 9.258 458 HB ILE 58 HB ILE 58 -7.505 0.986 8.285 459 1HG1 ILE 58 HG12 ILE 58 -7.661 0.244 5.602 460 2HG1 ILE 58 HG11 ILE 58 -7.942 -1.256 6.486 461 1HG2 ILE 58 HG21 ILE 58 -6.104 1.488 6.114 462 2HG2 ILE 58 HG22 ILE 58 -5.030 0.272 6.803 463 3HG2 ILE 58 HG23 ILE 58 -5.420 1.726 7.722 464 1HD1 ILE 58 HD11 ILE 58 -9.751 -0.204 7.716 465 2HD1 ILE 58 HD12 ILE 58 -10.020 -0.090 5.977 466 3HD1 ILE 58 HD13 ILE 58 -9.454 1.317 6.876 467 H LYS 59 HN LYS 59 -8.191 -2.547 7.518 468 HA LYS 59 HA LYS 59 -10.386 -2.329 9.142 469 1HB LYS 59 HB2 LYS 59 -9.295 -4.483 7.418 470 2HB LYS 59 HB1 LYS 59 -10.545 -4.946 8.564 471 1HG LYS 59 HG2 LYS 59 -11.848 -2.934 7.597 472 2HG LYS 59 HG1 LYS 59 -10.710 -3.062 6.250 473 1HD LYS 59 HD2 LYS 59 -11.403 -5.291 5.776 474 2HD LYS 59 HD1 LYS 59 -12.341 -5.382 7.268 475 1HE LYS 59 HE2 LYS 59 -13.863 -5.044 5.455 476 2HE LYS 59 HE1 LYS 59 -13.786 -3.552 6.389 477 1HZ LYS 59 HZ1 LYS 59 -13.709 -3.030 4.070 478 2HZ LYS 59 HZ2 LYS 59 -12.426 -4.100 3.808 479 3HZ LYS 59 HZ3 LYS 59 -12.186 -2.705 4.732 480 H PHE 60 HN PHE 60 -7.788 -4.789 9.511 481 HA PHE 60 HA PHE 60 -7.644 -4.530 12.303 482 1HB PHE 60 HB2 PHE 60 -8.674 -6.974 12.649 483 2HB PHE 60 HB1 PHE 60 -9.641 -5.511 12.810 484 HD1 PHE 60 HD1 PHE 60 -8.534 -7.774 10.035 485 HD2 PHE 60 HD2 PHE 60 -11.709 -5.603 11.858 486 HE1 PHE 60 HE1 PHE 60 -10.083 -8.605 8.316 487 HE2 PHE 60 HE2 PHE 60 -13.264 -6.432 10.142 488 HZ PHE 60 HZ PHE 60 -12.452 -7.935 8.369 489 H SER 61 HN SER 61 -5.448 -4.626 11.568 490 HA SER 61 HA SER 61 -4.359 -7.258 11.795 491 1HB SER 61 HB2 SER 61 -4.777 -6.144 9.147 492 2HB SER 61 HB1 SER 61 -3.073 -6.489 9.444 493 HG SER 61 HG SER 61 -5.108 -8.201 8.981 494 H GLU 62 HN GLU 62 -2.670 -4.891 9.895 495 HA GLU 62 HA GLU 62 -1.188 -4.010 12.274 496 1HB GLU 62 HB2 GLU 62 0.051 -4.976 9.690 497 2HB GLU 62 HB1 GLU 62 0.934 -4.241 11.025 498 1HG GLU 62 HG2 GLU 62 -0.284 -6.217 12.350 499 2HG GLU 62 HG1 GLU 62 -0.184 -6.958 10.752 500 H GLU 63 HN GLU 63 -2.985 -2.355 11.475 501 HA GLU 63 HA GLU 63 -2.619 -0.708 9.299 502 1HB GLU 63 HB2 GLU 63 -3.701 1.074 10.747 503 2HB GLU 63 HB1 GLU 63 -4.585 -0.435 10.573 504 1HG GLU 63 HG2 GLU 63 -3.964 -1.150 12.748 505 2HG GLU 63 HG1 GLU 63 -2.803 0.169 12.916 506 H GLN 64 HN GLN 64 -1.044 -0.484 12.472 507 HA GLN 64 HA GLN 64 0.303 1.978 11.938 508 1HB GLN 64 HB2 GLN 64 0.903 -0.210 13.943 509 2HB GLN 64 HB1 GLN 64 1.666 1.373 13.931 510 1HG GLN 64 HG2 GLN 64 -0.571 2.396 14.238 511 2HG GLN 64 HG1 GLN 64 -1.245 0.774 14.394 512 1HE2 GLN 64 HE21 GLN 64 1.494 2.625 15.701 513 2HE2 GLN 64 HE22 GLN 64 1.249 2.150 17.344 514 H ARG 65 HN ARG 65 0.878 -1.211 10.878 515 HA ARG 65 HA ARG 65 3.714 -0.870 10.503 516 1HB ARG 65 HB2 ARG 65 2.511 -3.093 10.825 517 2HB ARG 65 HB1 ARG 65 1.955 -2.924 9.165 518 1HG ARG 65 HG2 ARG 65 4.408 -2.706 8.532 519 2HG ARG 65 HG1 ARG 65 4.760 -3.278 10.165 520 1HD ARG 65 HD2 ARG 65 3.267 -5.250 9.663 521 2HD ARG 65 HD1 ARG 65 3.260 -4.712 7.983 522 HE ARG 65 HE ARG 65 5.661 -5.092 7.948 523 1HH1 ARG 65 HH11 ARG 65 3.880 -6.483 10.601 524 2HH1 ARG 65 HH12 ARG 65 5.070 -7.698 10.930 525 1HH2 ARG 65 HH21 ARG 65 7.232 -6.687 8.375 526 2HH2 ARG 65 HH22 ARG 65 6.974 -7.814 9.666 527 H PHE 66 HN PHE 66 1.005 -1.290 8.238 528 HA PHE 66 HA PHE 66 2.228 -0.665 5.890 529 1HB PHE 66 HB2 PHE 66 -0.347 -1.134 6.584 530 2HB PHE 66 HB1 PHE 66 -0.437 0.571 6.140 531 HD1 PHE 66 HD1 PHE 66 -0.484 1.219 3.899 532 HD2 PHE 66 HD2 PHE 66 0.659 -2.751 4.915 533 HE1 PHE 66 HE1 PHE 66 -0.520 0.604 1.518 534 HE2 PHE 66 HE2 PHE 66 0.622 -3.375 2.536 535 HZ PHE 66 HZ PHE 66 0.034 -1.696 0.833 536 H ASN 67 HN ASN 67 0.839 1.728 8.143 537 HA ASN 67 HA ASN 67 1.465 3.976 6.521 538 1HB ASN 67 HB2 ASN 67 1.445 5.103 8.959 539 2HB ASN 67 HB1 ASN 67 -0.035 4.662 8.117 540 1HD2 ASN 67 HD21 ASN 67 -0.993 4.603 10.204 541 2HD2 ASN 67 HD22 ASN 67 -0.784 3.222 11.216 542 H ASN 68 HN ASN 68 3.041 2.681 9.411 543 HA ASN 68 HA ASN 68 5.286 4.155 9.616 544 1HB ASN 68 HB2 ASN 68 4.813 2.174 11.028 545 2HB ASN 68 HB1 ASN 68 5.296 1.127 9.697 546 1HD2 ASN 68 HD21 ASN 68 7.466 0.992 9.127 547 2HD2 ASN 68 HD22 ASN 68 8.725 1.531 10.179 548 H PHE 69 HN PHE 69 4.979 1.395 7.382 549 HA PHE 69 HA PHE 69 7.460 1.885 6.080 550 1HB PHE 69 HB2 PHE 69 6.023 -0.292 6.175 551 2HB PHE 69 HB1 PHE 69 5.190 0.402 4.785 552 HD1 PHE 69 HD1 PHE 69 8.231 -1.171 5.990 553 HD2 PHE 69 HD2 PHE 69 6.388 0.762 2.676 554 HE1 PHE 69 HE1 PHE 69 9.991 -2.043 4.508 555 HE2 PHE 69 HE2 PHE 69 8.144 -0.108 1.188 556 HZ PHE 69 HZ PHE 69 9.948 -1.512 2.103 557 H LEU 70 HN LEU 70 4.172 2.914 5.572 558 HA LEU 70 HA LEU 70 4.369 3.899 2.954 559 1HB LEU 70 HB2 LEU 70 2.410 3.852 4.925 560 2HB LEU 70 HB1 LEU 70 2.700 5.564 4.665 561 HG LEU 70 HG LEU 70 1.836 3.539 2.597 562 1HD1 LEU 70 HD11 LEU 70 0.160 5.809 2.725 563 2HD1 LEU 70 HD12 LEU 70 0.417 5.254 4.379 564 3HD1 LEU 70 HD13 LEU 70 -0.219 4.144 3.166 565 1HD2 LEU 70 HD21 LEU 70 2.701 6.404 2.305 566 2HD2 LEU 70 HD22 LEU 70 1.680 5.590 1.120 567 3HD2 LEU 70 HD23 LEU 70 3.304 4.985 1.448 568 H LYS 71 HN LYS 71 5.214 5.349 6.053 569 HA LYS 71 HA LYS 71 5.762 7.947 5.054 570 1HB LYS 71 HB2 LYS 71 6.967 6.635 7.497 571 2HB LYS 71 HB1 LYS 71 6.830 8.359 7.183 572 1HG LYS 71 HG2 LYS 71 4.544 8.380 7.583 573 2HG LYS 71 HG1 LYS 71 4.388 6.637 7.344 574 1HD LYS 71 HD2 LYS 71 5.005 6.162 9.469 575 2HD LYS 71 HD1 LYS 71 6.171 7.486 9.537 576 1HE LYS 71 HE2 LYS 71 4.046 8.990 9.540 577 2HE LYS 71 HE1 LYS 71 3.229 7.519 10.065 578 1HZ LYS 71 HZ1 LYS 71 4.854 7.379 11.897 579 2HZ LYS 71 HZ2 LYS 71 3.895 8.768 11.974 580 3HZ LYS 71 HZ3 LYS 71 5.491 8.874 11.426 581 H ALA 72 HN ALA 72 7.622 5.022 5.444 582 HA ALA 72 HA ALA 72 10.160 6.190 4.807 583 1HB ALA 72 HB1 ALA 72 9.272 3.305 4.703 584 2HB ALA 72 HB2 ALA 72 10.023 4.113 6.080 585 3HB ALA 72 HB3 ALA 72 10.939 3.871 4.593 586 H LEU 73 HN LEU 73 7.684 4.429 3.038 587 HA LEU 73 HA LEU 73 8.991 4.288 0.555 588 1HB LEU 73 HB2 LEU 73 7.132 2.883 0.850 589 2HB LEU 73 HB1 LEU 73 6.109 4.202 1.391 590 HG LEU 73 HG LEU 73 6.401 5.102 -1.035 591 1HD1 LEU 73 HD11 LEU 73 8.140 3.557 -1.723 592 2HD1 LEU 73 HD12 LEU 73 6.687 3.319 -2.694 593 3HD1 LEU 73 HD13 LEU 73 7.078 2.187 -1.399 594 1HD2 LEU 73 HD21 LEU 73 4.248 4.537 -0.475 595 2HD2 LEU 73 HD22 LEU 73 4.675 2.878 -0.056 596 3HD2 LEU 73 HD23 LEU 73 4.579 3.363 -1.748 597 H GLN 74 HN GLN 74 6.636 6.642 1.794 598 HA GLN 74 HA GLN 74 6.441 8.265 -0.449 599 1HB GLN 74 HB2 GLN 74 5.105 8.341 1.741 600 2HB GLN 74 HB1 GLN 74 6.409 9.346 2.361 601 1HG GLN 74 HG2 GLN 74 5.367 10.221 -0.224 602 2HG GLN 74 HG1 GLN 74 4.181 10.251 1.081 603 1HE2 GLN 74 HE21 GLN 74 5.764 10.887 3.227 604 2HE2 GLN 74 HE22 GLN 74 6.401 12.481 3.025 605 H GLU 75 HN GLU 75 8.632 8.620 2.337 606 HA GLU 75 HA GLU 75 9.979 10.896 1.378 607 1HB GLU 75 HB2 GLU 75 10.475 8.848 3.468 608 2HB GLU 75 HB1 GLU 75 11.865 9.783 2.931 609 1HG GLU 75 HG2 GLU 75 10.666 11.852 3.467 610 2HG GLU 75 HG1 GLU 75 9.297 10.899 4.036 611 H LYS 76 HN LYS 76 10.785 7.449 1.145 612 HA LYS 76 HA LYS 76 13.242 7.677 -0.132 613 1HB LYS 76 HB2 LYS 76 12.075 5.594 0.820 614 2HB LYS 76 HB1 LYS 76 11.284 5.478 -0.746 615 1HG LYS 76 HG2 LYS 76 13.051 4.163 -1.206 616 2HG LYS 76 HG1 LYS 76 13.823 5.710 -1.558 617 1HD LYS 76 HD2 LYS 76 14.563 5.735 0.865 618 2HD LYS 76 HD1 LYS 76 14.037 4.052 0.945 619 1HE LYS 76 HE2 LYS 76 15.599 3.429 -0.776 620 2HE LYS 76 HE1 LYS 76 16.040 5.115 -1.041 621 1HZ LYS 76 HZ1 LYS 76 17.163 5.216 0.977 622 2HZ LYS 76 HZ2 LYS 76 17.582 3.691 0.377 623 3HZ LYS 76 HZ3 LYS 76 16.413 3.830 1.592 624 H VAL 77 HN VAL 77 10.071 7.066 -1.674 625 HA VAL 77 HA VAL 77 11.062 7.347 -4.308 626 HB VAL 77 HB VAL 77 8.889 7.137 -5.081 627 1HG1 VAL 77 HG11 VAL 77 9.356 5.766 -2.516 628 2HG1 VAL 77 HG12 VAL 77 8.996 5.107 -4.110 629 3HG1 VAL 77 HG13 VAL 77 7.696 5.754 -3.109 630 1HG2 VAL 77 HG21 VAL 77 7.798 9.032 -4.253 631 2HG2 VAL 77 HG22 VAL 77 8.042 8.552 -2.573 632 3HG2 VAL 77 HG23 VAL 77 6.892 7.676 -3.583 633 H GLU 78 HN GLU 78 9.977 9.631 -1.934 634 HA GLU 78 HA GLU 78 9.368 11.817 -3.557 635 1HB GLU 78 HB2 GLU 78 9.966 11.366 -0.750 636 2HB GLU 78 HB1 GLU 78 10.616 12.901 -1.311 637 1HG GLU 78 HG2 GLU 78 8.163 13.056 -2.365 638 2HG GLU 78 HG1 GLU 78 7.818 12.034 -0.971 639 H ILE 79 HN ILE 79 12.460 10.943 -2.027 640 HA ILE 79 HA ILE 79 13.984 13.021 -3.101 641 HB ILE 79 HB ILE 79 14.939 10.223 -2.473 642 1HG1 ILE 79 HG12 ILE 79 15.538 12.282 -0.515 643 2HG1 ILE 79 HG11 ILE 79 13.801 12.112 -0.757 644 1HG2 ILE 79 HG21 ILE 79 17.104 11.465 -2.026 645 2HG2 ILE 79 HG22 ILE 79 16.380 12.830 -2.875 646 3HG2 ILE 79 HG23 ILE 79 16.629 11.300 -3.716 647 1HD1 ILE 79 HD11 ILE 79 14.462 10.686 1.032 648 2HD1 ILE 79 HD12 ILE 79 15.744 9.968 0.057 649 3HD1 ILE 79 HD13 ILE 79 14.053 9.674 -0.354 650 H LYS 80 HN LYS 80 14.756 9.751 -4.169 651 HA LYS 80 HA LYS 80 14.179 10.410 -6.939 652 1HB LYS 80 HB2 LYS 80 16.459 11.302 -6.530 653 2HB LYS 80 HB1 LYS 80 16.981 9.689 -6.061 654 1HG LYS 80 HG2 LYS 80 16.714 8.854 -8.245 655 2HG LYS 80 HG1 LYS 80 15.794 10.272 -8.757 656 1HD LYS 80 HD2 LYS 80 17.823 10.811 -9.649 657 2HD LYS 80 HD1 LYS 80 18.030 11.509 -8.041 658 1HE LYS 80 HE2 LYS 80 19.102 9.371 -7.331 659 2HE LYS 80 HE1 LYS 80 19.021 8.830 -9.007 660 1HZ LYS 80 HZ1 LYS 80 20.713 10.159 -9.606 661 2HZ LYS 80 HZ2 LYS 80 21.109 10.112 -7.963 662 3HZ LYS 80 HZ3 LYS 80 20.246 11.426 -8.587 663 H GLN 81 HN GLN 81 12.825 8.707 -7.189 664 HA GLN 81 HA GLN 81 13.962 6.127 -7.575 665 1HB GLN 81 HB2 GLN 81 12.800 6.724 -4.982 666 2HB GLN 81 HB1 GLN 81 11.950 5.406 -5.777 667 1HG GLN 81 HG2 GLN 81 14.912 5.319 -5.753 668 2HG GLN 81 HG1 GLN 81 14.063 5.008 -4.240 669 1HE2 GLN 81 HE21 GLN 81 13.244 3.048 -3.900 670 2HE2 GLN 81 HE22 GLN 81 13.149 1.788 -5.079 671 H LEU 82 HN LEU 82 10.695 6.794 -6.414 672 HA LEU 82 HA LEU 82 9.684 6.642 -9.159 673 1HB LEU 82 HB2 LEU 82 7.766 5.218 -7.993 674 2HB LEU 82 HB1 LEU 82 9.188 4.477 -8.706 675 HG LEU 82 HG LEU 82 9.425 5.203 -5.854 676 1HD1 LEU 82 HD11 LEU 82 7.518 3.102 -6.848 677 2HD1 LEU 82 HD12 LEU 82 7.211 4.404 -5.700 678 3HD1 LEU 82 HD13 LEU 82 8.243 3.050 -5.242 679 1HD2 LEU 82 HD21 LEU 82 10.522 2.993 -5.796 680 2HD2 LEU 82 HD22 LEU 82 11.224 4.071 -7.003 681 3HD2 LEU 82 HD23 LEU 82 10.131 2.780 -7.503 682 H ASN 83 HN ASN 83 9.544 8.970 -8.658 683 HA ASN 83 HA ASN 83 7.691 9.899 -6.697 684 1HB ASN 83 HB2 ASN 83 9.492 11.348 -7.415 685 2HB ASN 83 HB1 ASN 83 8.943 11.268 -9.086 686 1HD2 ASN 83 HD21 ASN 83 7.887 12.984 -9.738 687 2HD2 ASN 83 HD22 ASN 83 6.929 14.033 -8.755 688 H HIS 84 HN HIS 84 7.362 8.529 -9.773 689 HA HIS 84 HA HIS 84 4.999 9.868 -10.631 690 1HB HIS 84 HB2 HIS 84 5.530 7.072 -11.507 691 2HB HIS 84 HB1 HIS 84 5.044 8.473 -12.455 692 HD1 HIS 84 HD1 HIS 84 8.100 6.889 -10.915 693 HD2 HIS 84 HD2 HIS 84 7.109 9.853 -13.653 694 HE1 HIS 84 HE1 HIS 84 10.269 7.555 -11.998 695 HE2 HIS 84 HE2 HIS 84 9.644 9.336 -13.667 696 H PHE 85 HN PHE 85 5.627 6.824 -8.926 697 HA PHE 85 HA PHE 85 3.038 5.841 -8.797 698 1HB PHE 85 HB2 PHE 85 5.176 4.699 -8.027 699 2HB PHE 85 HB1 PHE 85 5.023 5.619 -6.532 700 HD1 PHE 85 HD1 PHE 85 3.057 3.329 -8.718 701 HD2 PHE 85 HD2 PHE 85 3.862 4.693 -4.766 702 HE1 PHE 85 HE1 PHE 85 1.550 1.606 -7.819 703 HE2 PHE 85 HE2 PHE 85 2.355 2.968 -3.859 704 HZ PHE 85 HZ PHE 85 1.199 1.423 -5.389 705 H TRP 86 HN TRP 86 4.606 8.311 -6.837 706 HA TRP 86 HA TRP 86 2.429 8.499 -4.976 707 1HB TRP 86 HB2 TRP 86 4.800 9.064 -4.401 708 2HB TRP 86 HB1 TRP 86 4.657 10.488 -5.428 709 HD1 TRP 86 HD1 TRP 86 3.758 12.616 -4.301 710 HE1 TRP 86 HE1 TRP 86 2.645 13.163 -2.043 711 HE3 TRP 86 HE3 TRP 86 3.124 7.863 -2.543 712 HZ2 TRP 86 HZ2 TRP 86 1.629 11.755 0.191 713 HZ3 TRP 86 HZ3 TRP 86 2.078 7.544 -0.342 714 HH2 TRP 86 HH2 TRP 86 1.344 9.453 0.997 715 H GLU 87 HN GLU 87 3.547 10.366 -7.776 716 HA GLU 87 HA GLU 87 1.640 12.444 -7.553 717 1HB GLU 87 HB2 GLU 87 3.491 11.449 -9.651 718 2HB GLU 87 HB1 GLU 87 2.121 12.401 -10.207 719 1HG GLU 87 HG2 GLU 87 2.802 14.172 -8.578 720 2HG GLU 87 HG1 GLU 87 4.267 13.238 -8.277 721 H ILE 88 HN ILE 88 1.495 9.210 -8.620 722 HA ILE 88 HA ILE 88 -0.966 9.532 -10.128 723 HB ILE 88 HB ILE 88 0.645 7.086 -9.395 724 1HG1 ILE 88 HG12 ILE 88 0.029 8.103 -12.157 725 2HG1 ILE 88 HG11 ILE 88 1.359 8.787 -11.224 726 1HG2 ILE 88 HG21 ILE 88 -2.071 7.332 -10.590 727 2HG2 ILE 88 HG22 ILE 88 -1.432 6.123 -9.476 728 3HG2 ILE 88 HG23 ILE 88 -0.994 6.068 -11.185 729 1HD1 ILE 88 HD11 ILE 88 2.269 7.121 -12.630 730 2HD1 ILE 88 HD12 ILE 88 1.033 5.954 -12.162 731 3HD1 ILE 88 HD13 ILE 88 2.256 6.456 -10.997 732 H VAL 89 HN VAL 89 -0.030 7.485 -7.358 733 HA VAL 89 HA VAL 89 -2.539 6.807 -6.484 734 HB VAL 89 HB VAL 89 -1.620 6.453 -4.251 735 1HG1 VAL 89 HG11 VAL 89 0.561 5.208 -5.119 736 2HG1 VAL 89 HG12 VAL 89 -0.178 5.563 -6.681 737 3HG1 VAL 89 HG13 VAL 89 -1.064 4.626 -5.479 738 1HG2 VAL 89 HG21 VAL 89 -0.257 8.190 -3.667 739 2HG2 VAL 89 HG22 VAL 89 0.503 8.275 -5.257 740 3HG2 VAL 89 HG23 VAL 89 0.957 6.997 -4.129 741 H VAL 90 HN VAL 90 -0.958 9.891 -6.124 742 HA VAL 90 HA VAL 90 -2.634 10.826 -3.995 743 HB VAL 90 HB VAL 90 -0.331 11.796 -5.252 744 1HG1 VAL 90 HG11 VAL 90 -0.881 14.125 -5.796 745 2HG1 VAL 90 HG12 VAL 90 -2.596 13.744 -5.644 746 3HG1 VAL 90 HG13 VAL 90 -1.632 12.984 -6.911 747 1HG2 VAL 90 HG21 VAL 90 -1.881 13.475 -3.338 748 2HG2 VAL 90 HG22 VAL 90 -0.153 13.127 -3.388 749 3HG2 VAL 90 HG23 VAL 90 -1.285 11.894 -2.833 750 H GLN 91 HN GLN 91 -2.519 11.464 -7.484 751 HA GLN 91 HA GLN 91 -4.877 12.924 -7.685 752 1HB GLN 91 HB2 GLN 91 -3.313 11.240 -9.597 753 2HB GLN 91 HB1 GLN 91 -4.901 11.817 -10.083 754 1HG GLN 91 HG2 GLN 91 -3.017 13.800 -8.950 755 2HG GLN 91 HG1 GLN 91 -2.675 13.174 -10.563 756 1HE2 GLN 91 HE21 GLN 91 -3.931 13.786 -12.258 757 2HE2 GLN 91 HE22 GLN 91 -5.188 14.965 -12.145 758 H ASP 92 HN ASP 92 -4.350 9.429 -7.773 759 HA ASP 92 HA ASP 92 -6.985 8.675 -8.399 760 1HB ASP 92 HB2 ASP 92 -4.651 7.339 -8.159 761 2HB ASP 92 HB1 ASP 92 -5.423 6.870 -6.648 762 H GLY 93 HN GLY 93 -5.904 10.245 -5.681 763 1HA GLY 93 HA2 GLY 93 -7.153 10.886 -3.832 764 2HA GLY 93 HA1 GLY 93 -8.387 9.721 -4.298 765 H ILE 94 HN ILE 94 -5.005 8.863 -3.846 766 HA ILE 94 HA ILE 94 -5.778 6.946 -1.819 767 HB ILE 94 HB ILE 94 -3.085 7.555 -3.044 768 1HG1 ILE 94 HG12 ILE 94 -4.808 6.472 -4.506 769 2HG1 ILE 94 HG11 ILE 94 -3.368 5.489 -4.249 770 1HG2 ILE 94 HG21 ILE 94 -2.515 6.742 -0.943 771 2HG2 ILE 94 HG22 ILE 94 -2.508 5.296 -1.951 772 3HG2 ILE 94 HG23 ILE 94 -3.881 5.628 -0.896 773 1HD1 ILE 94 HD11 ILE 94 -5.551 5.007 -2.350 774 2HD1 ILE 94 HD12 ILE 94 -4.513 3.869 -3.210 775 3HD1 ILE 94 HD13 ILE 94 -5.901 4.588 -4.028 776 H THR 95 HN THR 95 -5.861 7.416 0.254 777 HA THR 95 HA THR 95 -4.376 9.733 1.258 778 HB THR 95 HB THR 95 -6.845 9.680 1.589 779 HG1 THR 95 HG1 THR 95 -6.325 10.884 3.234 780 1HG2 THR 95 HG21 THR 95 -6.294 7.486 3.583 781 2HG2 THR 95 HG22 THR 95 -6.960 7.200 1.976 782 3HG2 THR 95 HG23 THR 95 -7.857 8.173 3.142 783 H LEU 96 HN LEU 96 -4.397 9.139 3.958 784 HA LEU 96 HA LEU 96 -2.429 6.953 4.069 785 1HB LEU 96 HB2 LEU 96 -2.522 9.646 5.328 786 2HB LEU 96 HB1 LEU 96 -1.851 8.336 6.285 787 HG LEU 96 HG LEU 96 -0.291 9.841 4.823 788 1HD1 LEU 96 HD11 LEU 96 1.025 7.603 4.300 789 2HD1 LEU 96 HD12 LEU 96 -0.207 6.932 5.369 790 3HD1 LEU 96 HD13 LEU 96 0.845 8.230 5.939 791 1HD2 LEU 96 HD21 LEU 96 0.050 9.209 2.599 792 2HD2 LEU 96 HD22 LEU 96 -1.703 9.317 2.757 793 3HD2 LEU 96 HD23 LEU 96 -0.912 7.741 2.773 794 H ILE 97 HN ILE 97 -2.239 6.041 6.358 795 HA ILE 97 HA ILE 97 -4.718 4.910 7.078 796 HB ILE 97 HB ILE 97 -1.961 4.847 8.208 797 1HG1 ILE 97 HG12 ILE 97 -2.506 2.347 8.056 798 2HG1 ILE 97 HG11 ILE 97 -3.975 2.836 7.216 799 1HG2 ILE 97 HG21 ILE 97 -2.994 5.030 10.272 800 2HG2 ILE 97 HG22 ILE 97 -2.938 3.282 10.018 801 3HG2 ILE 97 HG23 ILE 97 -4.439 4.165 9.737 802 1HD1 ILE 97 HD11 ILE 97 -1.129 3.115 6.339 803 2HD1 ILE 97 HD12 ILE 97 -2.407 4.100 5.630 804 3HD1 ILE 97 HD13 ILE 97 -2.478 2.342 5.509 805 H THR 98 HN THR 98 -6.307 6.235 7.797 806 HA THR 98 HA THR 98 -5.665 8.207 9.865 807 HB THR 98 HB THR 98 -8.374 7.959 8.610 808 HG1 THR 98 HG1 THR 98 -7.539 9.454 6.980 809 1HG2 THR 98 HG21 THR 98 -8.127 9.532 10.433 810 2HG2 THR 98 HG22 THR 98 -8.329 10.420 8.922 811 3HG2 THR 98 HG23 THR 98 -6.730 10.269 9.649 812 H LYS 99 HN LYS 99 -6.658 8.250 11.839 813 HA LYS 99 HA LYS 99 -7.172 6.004 13.245 814 1HB LYS 99 HB2 LYS 99 -8.800 7.606 14.601 815 2HB LYS 99 HB1 LYS 99 -7.056 7.816 14.627 816 1HG LYS 99 HG2 LYS 99 -7.311 9.486 12.786 817 2HG LYS 99 HG1 LYS 99 -9.059 9.359 12.995 818 1HD LYS 99 HD2 LYS 99 -9.034 10.648 14.824 819 2HD LYS 99 HD1 LYS 99 -7.641 9.803 15.501 820 1HE LYS 99 HE2 LYS 99 -6.238 11.402 14.839 821 2HE LYS 99 HE1 LYS 99 -6.912 11.417 13.210 822 1HZ LYS 99 HZ1 LYS 99 -7.983 12.865 15.572 823 2HZ LYS 99 HZ2 LYS 99 -8.723 12.823 14.051 824 3HZ LYS 99 HZ3 LYS 99 -7.209 13.554 14.234 825 H GLU 100 HN GLU 100 -9.856 8.080 12.139 826 HA GLU 100 HA GLU 100 -11.932 6.367 12.726 827 1HB GLU 100 HB2 GLU 100 -11.714 8.836 11.564 828 2HB GLU 100 HB1 GLU 100 -12.309 7.862 10.226 829 1HG GLU 100 HG2 GLU 100 -13.759 7.307 12.659 830 2HG GLU 100 HG1 GLU 100 -13.805 9.021 12.253 831 H GLU 101 HN GLU 101 -9.698 6.217 10.066 832 HA GLU 101 HA GLU 101 -11.292 4.420 8.490 833 1HB GLU 101 HB2 GLU 101 -8.488 5.465 8.309 834 2HB GLU 101 HB1 GLU 101 -8.998 4.120 7.294 835 1HG GLU 101 HG2 GLU 101 -10.923 5.613 6.564 836 2HG GLU 101 HG1 GLU 101 -10.035 6.934 7.326 837 H ALA 102 HN ALA 102 -8.711 4.092 10.866 838 HA ALA 102 HA ALA 102 -9.042 1.169 10.686 839 1HB ALA 102 HB1 ALA 102 -6.762 0.791 10.947 840 2HB ALA 102 HB2 ALA 102 -6.459 2.426 11.533 841 3HB ALA 102 HB3 ALA 102 -6.829 2.153 9.830 842 H SER 103 HN SER 103 -7.279 3.284 12.938 843 HA SER 103 HA SER 103 -8.775 2.018 15.137 844 1HB SER 103 HB2 SER 103 -6.341 1.590 15.163 845 2HB SER 103 HB1 SER 103 -6.046 3.328 15.221 846 HG SER 103 HG SER 103 -7.236 1.676 17.181 847 H GLY 104 HN GLY 104 -10.510 3.435 15.172 848 1HA GLY 104 HA2 GLY 104 -10.815 6.043 14.940 849 2HA GLY 104 HA1 GLY 104 -11.581 5.177 16.260 850 H SER 105 HN SER 105 -10.229 7.888 15.718 851 HA SER 105 HA SER 105 -9.194 9.513 16.917 852 1HB SER 105 HB2 SER 105 -9.537 7.645 19.266 853 2HB SER 105 HB1 SER 105 -9.287 9.392 19.332 854 HG SER 105 HG SER 105 -11.545 8.442 19.455 855 H SER 106 HN SER 106 -7.765 6.373 16.872 856 HA SER 106 HA SER 106 -5.280 7.386 18.022 857 1HB SER 106 HB2 SER 106 -6.488 4.725 17.672 858 2HB SER 106 HB1 SER 106 -4.748 4.789 17.397 859 HG SER 106 HG SER 106 -5.415 6.201 19.594 860 H VAL 107 HN VAL 107 -4.592 8.734 16.365 861 HA VAL 107 HA VAL 107 -2.772 7.675 14.553 862 HB VAL 107 HB VAL 107 -5.490 7.980 13.423 863 1HG1 VAL 107 HG11 VAL 107 -4.685 9.882 12.315 864 2HG1 VAL 107 HG12 VAL 107 -4.433 8.569 11.163 865 3HG1 VAL 107 HG13 VAL 107 -3.078 9.186 12.106 866 1HG2 VAL 107 HG21 VAL 107 -4.872 5.873 12.982 867 2HG2 VAL 107 HG22 VAL 107 -3.161 6.235 13.198 868 3HG2 VAL 107 HG23 VAL 107 -3.945 6.572 11.656 869 H THR 108 HN THR 108 -1.404 9.270 13.910 870 HA THR 108 HA THR 108 -1.803 11.865 15.040 871 HB THR 108 HB THR 108 0.418 10.816 14.970 872 HG1 THR 108 HG1 THR 108 0.307 13.092 15.076 873 1HG2 THR 108 HG21 THR 108 1.606 10.385 13.026 874 2HG2 THR 108 HG22 THR 108 0.609 11.468 12.055 875 3HG2 THR 108 HG23 THR 108 -0.031 9.909 12.575 876 H ALA 109 HN ALA 109 -1.857 13.852 13.995 877 HA ALA 109 HA ALA 109 -3.404 13.919 11.579 878 1HB ALA 109 HB1 ALA 109 -2.206 16.212 13.131 879 2HB ALA 109 HB2 ALA 109 -3.784 15.491 13.445 880 3HB ALA 109 HB3 ALA 109 -3.479 16.313 11.915 881 H GLU 110 HN GLU 110 -0.154 13.723 12.238 882 HA GLU 110 HA GLU 110 0.781 15.371 10.033 883 1HB GLU 110 HB2 GLU 110 1.923 14.609 12.424 884 2HB GLU 110 HB1 GLU 110 2.725 13.558 11.264 885 1HG GLU 110 HG2 GLU 110 3.415 15.496 9.966 886 2HG GLU 110 HG1 GLU 110 2.587 16.561 11.101 887 H GLU 111 HN GLU 111 -0.264 12.208 10.582 888 HA GLU 111 HA GLU 111 1.298 11.008 8.459 889 1HB GLU 111 HB2 GLU 111 0.935 9.486 10.185 890 2HB GLU 111 HB1 GLU 111 -0.734 9.994 10.420 891 1HG GLU 111 HG2 GLU 111 -1.501 8.760 8.641 892 2HG GLU 111 HG1 GLU 111 0.084 8.673 7.875 893 H ALA 112 HN ALA 112 -2.129 11.778 9.071 894 HA ALA 112 HA ALA 112 -2.817 11.010 6.369 895 1HB ALA 112 HB1 ALA 112 -5.141 11.752 7.153 896 2HB ALA 112 HB2 ALA 112 -4.407 11.858 8.753 897 3HB ALA 112 HB3 ALA 112 -4.423 10.319 7.892 898 H LYS 113 HN LYS 113 -2.593 14.015 8.238 899 HA LYS 113 HA LYS 113 -3.680 15.539 6.020 900 1HB LYS 113 HB2 LYS 113 -2.512 16.683 8.543 901 2HB LYS 113 HB1 LYS 113 -3.686 17.412 7.457 902 1HG LYS 113 HG2 LYS 113 -5.123 15.315 8.149 903 2HG LYS 113 HG1 LYS 113 -4.068 15.355 9.564 904 1HD LYS 113 HD2 LYS 113 -5.070 17.180 10.394 905 2HD LYS 113 HD1 LYS 113 -5.113 17.978 8.820 906 1HE LYS 113 HE2 LYS 113 -6.953 15.935 8.563 907 2HE LYS 113 HE1 LYS 113 -7.187 16.493 10.219 908 1HZ LYS 113 HZ1 LYS 113 -7.057 18.814 8.930 909 2HZ LYS 113 HZ2 LYS 113 -8.506 17.988 9.208 910 3HZ LYS 113 HZ3 LYS 113 -7.730 17.852 7.712 911 H LYS 114 HN LYS 114 -0.547 15.325 7.713 912 HA LYS 114 HA LYS 114 0.701 17.342 6.181 913 1HB LYS 114 HB2 LYS 114 1.378 15.932 8.404 914 2HB LYS 114 HB1 LYS 114 2.441 15.205 7.208 915 1HG LYS 114 HG2 LYS 114 2.278 18.172 7.388 916 2HG LYS 114 HG1 LYS 114 3.207 17.280 8.595 917 1HD LYS 114 HD2 LYS 114 4.572 16.285 6.866 918 2HD LYS 114 HD1 LYS 114 3.584 17.037 5.611 919 1HE LYS 114 HE2 LYS 114 4.388 19.173 6.090 920 2HE LYS 114 HE1 LYS 114 4.970 18.698 7.685 921 1HZ LYS 114 HZ1 LYS 114 6.774 19.000 6.081 922 2HZ LYS 114 HZ2 LYS 114 6.126 17.778 5.108 923 3HZ LYS 114 HZ3 LYS 114 6.708 17.408 6.652 924 H PHE 115 HN PHE 115 0.160 13.955 5.559 925 HA PHE 115 HA PHE 115 2.166 13.693 3.551 926 1HB PHE 115 HB2 PHE 115 -0.065 12.039 4.581 927 2HB PHE 115 HB1 PHE 115 0.479 11.696 2.940 928 HD1 PHE 115 HD1 PHE 115 1.972 12.376 6.293 929 HD2 PHE 115 HD2 PHE 115 2.092 10.092 2.706 930 HE1 PHE 115 HE1 PHE 115 3.850 11.068 7.194 931 HE2 PHE 115 HE2 PHE 115 3.969 8.779 3.600 932 HZ PHE 115 HZ PHE 115 4.848 9.267 5.848 933 H LEU 116 HN LEU 116 -1.357 14.196 3.405 934 HA LEU 116 HA LEU 116 -1.317 14.366 0.531 935 1HB LEU 116 HB2 LEU 116 -3.413 14.638 2.643 936 2HB LEU 116 HB1 LEU 116 -3.745 15.221 1.023 937 HG LEU 116 HG LEU 116 -2.665 12.493 1.096 938 1HD1 LEU 116 HD11 LEU 116 -3.928 11.713 2.747 939 2HD1 LEU 116 HD12 LEU 116 -5.314 12.012 1.699 940 3HD1 LEU 116 HD13 LEU 116 -4.825 13.224 2.882 941 1HD2 LEU 116 HD21 LEU 116 -5.203 12.684 -0.131 942 2HD2 LEU 116 HD22 LEU 116 -3.621 12.565 -0.903 943 3HD2 LEU 116 HD23 LEU 116 -4.309 14.149 -0.540 944 H ALA 117 HN ALA 117 -0.909 16.556 3.142 945 HA ALA 117 HA ALA 117 -1.573 18.897 1.551 946 1HB ALA 117 HB1 ALA 117 -2.135 18.804 3.958 947 2HB ALA 117 HB2 ALA 117 -1.117 20.181 3.540 948 3HB ALA 117 HB3 ALA 117 -0.411 18.772 4.331 949 HA PRO 118 HA PRO 118 2.546 19.613 0.111 950 1HB PRO 118 HB2 PRO 118 2.508 22.285 -0.271 951 2HB PRO 118 HB1 PRO 118 1.595 21.172 -1.298 952 1HG PRO 118 HG2 PRO 118 0.644 22.838 1.001 953 2HG PRO 118 HG1 PRO 118 -0.122 22.566 -0.575 954 1HD PRO 118 HD2 PRO 118 -0.868 21.249 1.685 955 2HD PRO 118 HD1 PRO 118 -1.001 20.540 0.062 956 H LYS 119 HN LYS 119 4.299 21.544 0.461 957 HA LYS 119 HA LYS 119 4.700 21.677 3.376 958 1HB LYS 119 HB2 LYS 119 6.323 20.495 1.519 959 2HB LYS 119 HB1 LYS 119 7.047 22.092 1.653 960 1HG LYS 119 HG2 LYS 119 7.446 21.816 3.971 961 2HG LYS 119 HG1 LYS 119 6.449 20.361 4.035 962 1HD LYS 119 HD2 LYS 119 8.051 19.204 2.586 963 2HD LYS 119 HD1 LYS 119 9.046 20.660 2.525 964 1HE LYS 119 HE2 LYS 119 9.335 20.535 4.968 965 2HE LYS 119 HE1 LYS 119 8.388 19.048 4.988 966 1HZ LYS 119 HZ1 LYS 119 11.012 19.473 3.668 967 2HZ LYS 119 HZ2 LYS 119 10.076 18.076 3.482 968 3HZ LYS 119 HZ3 LYS 119 10.690 18.486 5.004 969 H ASP 120 HN ASP 120 5.584 23.419 0.389 970 HA ASP 120 HA ASP 120 5.715 25.908 1.924 971 1HB ASP 120 HB2 ASP 120 6.682 25.132 -0.824 972 2HB ASP 120 HB1 ASP 120 6.639 26.808 -0.289 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -8.839 -16.883 -19.060 2 2H GLY 1 HT2 GLY 1 -7.378 -17.665 -18.722 3 3H GLY 1 HT3 GLY 1 -7.429 -15.978 -18.822 4 1HA GLY 1 HA1 GLY 1 -9.178 -16.217 -16.920 5 2HA GLY 1 HA2 GLY 1 -8.355 -17.749 -16.673 6 HA PRO 2 HA PRO 2 -5.051 -14.131 -16.063 7 1HB PRO 2 HB2 PRO 2 -6.998 -12.036 -15.249 8 2HB PRO 2 HB1 PRO 2 -5.504 -11.884 -16.180 9 1HG PRO 2 HG2 PRO 2 -7.876 -11.726 -17.380 10 2HG PRO 2 HG1 PRO 2 -6.513 -12.553 -18.158 11 1HD PRO 2 HD2 PRO 2 -8.896 -13.712 -16.776 12 2HD PRO 2 HD1 PRO 2 -8.048 -14.278 -18.230 13 H VAL 3 HN VAL 3 -4.223 -13.433 -14.008 14 HA VAL 3 HA VAL 3 -5.862 -14.301 -11.716 15 HB VAL 3 HB VAL 3 -2.858 -14.516 -11.820 16 1HG1 VAL 3 HG11 VAL 3 -3.858 -14.465 -9.599 17 2HG1 VAL 3 HG12 VAL 3 -3.189 -16.059 -9.949 18 3HG1 VAL 3 HG13 VAL 3 -4.931 -15.794 -10.040 19 1HG2 VAL 3 HG21 VAL 3 -4.921 -16.589 -12.549 20 2HG2 VAL 3 HG22 VAL 3 -3.233 -16.958 -12.196 21 3HG2 VAL 3 HG23 VAL 3 -3.641 -15.939 -13.575 22 H ASN 4 HN ASN 4 -5.891 -13.017 -9.929 23 HA ASN 4 HA ASN 4 -4.363 -10.505 -10.094 24 1HB ASN 4 HB2 ASN 4 -7.005 -10.592 -10.207 25 2HB ASN 4 HB1 ASN 4 -6.853 -10.706 -8.455 26 1HD2 ASN 4 HD21 ASN 4 -5.657 -9.015 -7.369 27 2HD2 ASN 4 HD22 ASN 4 -5.665 -7.417 -8.026 28 HA PRO 5 HA PRO 5 -2.227 -11.986 -6.452 29 1HB PRO 5 HB2 PRO 5 -1.712 -9.080 -6.077 30 2HB PRO 5 HB1 PRO 5 -0.571 -10.429 -6.120 31 1HG PRO 5 HG2 PRO 5 -0.778 -8.761 -8.185 32 2HG PRO 5 HG1 PRO 5 -0.540 -10.502 -8.439 33 1HD PRO 5 HD2 PRO 5 -3.030 -8.866 -8.707 34 2HD PRO 5 HD1 PRO 5 -2.457 -10.221 -9.701 35 H ALA 6 HN ALA 6 -4.559 -9.365 -6.457 36 HA ALA 6 HA ALA 6 -4.843 -9.174 -3.637 37 1HB ALA 6 HB1 ALA 6 -7.220 -8.423 -5.119 38 2HB ALA 6 HB2 ALA 6 -5.752 -7.737 -5.818 39 3HB ALA 6 HB3 ALA 6 -6.147 -7.435 -4.126 40 H GLU 7 HN GLU 7 -6.371 -11.139 -6.119 41 HA GLU 7 HA GLU 7 -8.473 -12.111 -4.456 42 1HB GLU 7 HB2 GLU 7 -7.338 -12.953 -7.108 43 2HB GLU 7 HB1 GLU 7 -8.564 -13.919 -6.300 44 1HG GLU 7 HG2 GLU 7 -10.066 -11.982 -6.288 45 2HG GLU 7 HG1 GLU 7 -8.839 -11.041 -7.136 46 H ASN 8 HN ASN 8 -5.455 -13.599 -5.649 47 HA ASN 8 HA ASN 8 -5.734 -15.996 -4.210 48 1HB ASN 8 HB2 ASN 8 -3.208 -16.158 -4.539 49 2HB ASN 8 HB1 ASN 8 -4.186 -16.012 -5.995 50 1HD2 ASN 8 HD21 ASN 8 -2.433 -14.022 -3.649 51 2HD2 ASN 8 HD22 ASN 8 -1.845 -12.880 -4.805 52 H PHE 9 HN PHE 9 -4.651 -12.847 -3.265 53 HA PHE 9 HA PHE 9 -3.275 -13.664 -0.894 54 1HB PHE 9 HB2 PHE 9 -2.657 -11.551 -1.782 55 2HB PHE 9 HB1 PHE 9 -4.330 -11.015 -1.878 56 HD1 PHE 9 HD1 PHE 9 -5.135 -9.610 -0.247 57 HD2 PHE 9 HD2 PHE 9 -1.804 -12.106 0.640 58 HE1 PHE 9 HE1 PHE 9 -4.914 -8.527 1.952 59 HE2 PHE 9 HE2 PHE 9 -1.578 -11.029 2.841 60 HZ PHE 9 HZ PHE 9 -3.134 -9.237 3.499 61 H ARG 10 HN ARG 10 -6.451 -12.177 -1.502 62 HA ARG 10 HA ARG 10 -7.379 -12.171 1.125 63 1HB ARG 10 HB2 ARG 10 -8.698 -12.181 -1.557 64 2HB ARG 10 HB1 ARG 10 -9.691 -12.425 -0.126 65 1HG ARG 10 HG2 ARG 10 -9.070 -10.304 0.759 66 2HG ARG 10 HG1 ARG 10 -7.839 -10.081 -0.486 67 1HD ARG 10 HD2 ARG 10 -9.694 -10.174 -2.183 68 2HD ARG 10 HD1 ARG 10 -10.831 -10.118 -0.834 69 HE ARG 10 HE ARG 10 -8.920 -7.988 -0.763 70 1HH1 ARG 10 HH11 ARG 10 -11.933 -9.040 -2.159 71 2HH1 ARG 10 HH12 ARG 10 -12.507 -7.433 -2.453 72 1HH2 ARG 10 HH21 ARG 10 -9.666 -5.868 -1.146 73 2HH2 ARG 10 HH22 ARG 10 -11.218 -5.630 -1.877 74 H VAL 11 HN VAL 11 -7.403 -14.707 -1.315 75 HA VAL 11 HA VAL 11 -9.030 -16.512 0.183 76 HB VAL 11 HB VAL 11 -7.113 -17.089 -2.082 77 1HG1 VAL 11 HG11 VAL 11 -8.738 -19.085 -2.336 78 2HG1 VAL 11 HG12 VAL 11 -9.134 -18.767 -0.647 79 3HG1 VAL 11 HG13 VAL 11 -7.477 -19.161 -1.105 80 1HG2 VAL 11 HG21 VAL 11 -8.768 -16.632 -3.575 81 2HG2 VAL 11 HG22 VAL 11 -9.242 -15.510 -2.300 82 3HG2 VAL 11 HG23 VAL 11 -10.055 -17.067 -2.451 83 H LEU 12 HN LEU 12 -5.538 -16.238 -0.388 84 HA LEU 12 HA LEU 12 -4.658 -18.429 1.039 85 1HB LEU 12 HB2 LEU 12 -3.313 -16.819 -0.388 86 2HB LEU 12 HB1 LEU 12 -3.245 -15.770 1.019 87 HG LEU 12 HG LEU 12 -2.164 -17.691 2.262 88 1HD1 LEU 12 HD11 LEU 12 -2.927 -19.433 0.647 89 2HD1 LEU 12 HD12 LEU 12 -1.203 -19.489 1.019 90 3HD1 LEU 12 HD13 LEU 12 -1.755 -18.799 -0.508 91 1HD2 LEU 12 HD21 LEU 12 0.012 -17.403 0.780 92 2HD2 LEU 12 HD22 LEU 12 -0.626 -16.086 1.764 93 3HD2 LEU 12 HD23 LEU 12 -0.965 -16.138 0.034 94 H VAL 13 HN VAL 13 -5.750 -15.323 2.241 95 HA VAL 13 HA VAL 13 -4.956 -16.021 4.963 96 HB VAL 13 HB VAL 13 -5.858 -13.764 5.561 97 1HG1 VAL 13 HG11 VAL 13 -3.756 -13.105 5.324 98 2HG1 VAL 13 HG12 VAL 13 -3.981 -12.907 3.586 99 3HG1 VAL 13 HG13 VAL 13 -3.476 -14.466 4.238 100 1HG2 VAL 13 HG21 VAL 13 -6.457 -13.750 2.641 101 2HG2 VAL 13 HG22 VAL 13 -6.000 -12.243 3.434 102 3HG2 VAL 13 HG23 VAL 13 -7.413 -13.140 3.991 103 H LYS 14 HN LYS 14 -7.469 -16.734 3.019 104 HA LYS 14 HA LYS 14 -9.356 -16.854 5.280 105 1HB LYS 14 HB2 LYS 14 -9.800 -16.025 2.448 106 2HB LYS 14 HB1 LYS 14 -11.096 -16.863 3.287 107 1HG LYS 14 HG2 LYS 14 -10.381 -14.976 5.118 108 2HG LYS 14 HG1 LYS 14 -10.119 -14.129 3.592 109 1HD LYS 14 HD2 LYS 14 -12.500 -15.252 3.075 110 2HD LYS 14 HD1 LYS 14 -12.627 -15.095 4.828 111 1HE LYS 14 HE2 LYS 14 -12.865 -12.874 4.718 112 2HE LYS 14 HE1 LYS 14 -11.559 -12.708 3.546 113 1HZ LYS 14 HZ1 LYS 14 -13.797 -12.022 2.734 114 2HZ LYS 14 HZ2 LYS 14 -14.282 -13.639 2.829 115 3HZ LYS 14 HZ3 LYS 14 -13.037 -13.190 1.776 116 H GLN 15 HN GLN 15 -7.516 -18.903 4.699 117 HA GLN 15 HA GLN 15 -9.279 -20.998 3.597 118 1HB GLN 15 HB2 GLN 15 -6.698 -22.057 3.737 119 2HB GLN 15 HB1 GLN 15 -7.566 -21.571 2.281 120 1HG GLN 15 HG2 GLN 15 -6.400 -19.631 2.068 121 2HG GLN 15 HG1 GLN 15 -6.123 -19.473 3.802 122 1HE2 GLN 15 HE21 GLN 15 -5.178 -21.293 0.939 123 2HE2 GLN 15 HE22 GLN 15 -3.582 -21.672 1.482 124 H LYS 16 HN LYS 16 -6.801 -20.336 6.043 125 HA LYS 16 HA LYS 16 -8.157 -22.155 7.867 126 1HB LYS 16 HB2 LYS 16 -6.568 -23.632 6.842 127 2HB LYS 16 HB1 LYS 16 -5.280 -22.445 6.998 128 1HG LYS 16 HG2 LYS 16 -5.871 -22.693 9.564 129 2HG LYS 16 HG1 LYS 16 -6.437 -24.272 9.015 130 1HD LYS 16 HD2 LYS 16 -3.725 -23.242 8.251 131 2HD LYS 16 HD1 LYS 16 -3.991 -24.051 9.797 132 1HE LYS 16 HE2 LYS 16 -4.089 -26.067 8.839 133 2HE LYS 16 HE1 LYS 16 -5.156 -25.495 7.557 134 1HZ LYS 16 HZ1 LYS 16 -3.434 -25.670 6.195 135 2HZ LYS 16 HZ2 LYS 16 -2.369 -26.005 7.465 136 3HZ LYS 16 HZ3 LYS 16 -2.681 -24.402 7.025 137 H LYS 17 HN LYS 17 -4.924 -20.685 7.877 138 HA LYS 17 HA LYS 17 -5.711 -18.549 9.596 139 1HB LYS 17 HB2 LYS 17 -4.859 -21.057 10.774 140 2HB LYS 17 HB1 LYS 17 -3.787 -19.741 11.233 141 1HG LYS 17 HG2 LYS 17 -5.249 -19.132 12.773 142 2HG LYS 17 HG1 LYS 17 -6.409 -18.760 11.496 143 1HD LYS 17 HD2 LYS 17 -6.654 -21.454 11.637 144 2HD LYS 17 HD1 LYS 17 -6.266 -21.070 13.315 145 1HE LYS 17 HE2 LYS 17 -8.196 -19.889 13.636 146 2HE LYS 17 HE1 LYS 17 -8.313 -19.412 11.943 147 1HZ LYS 17 HZ1 LYS 17 -9.995 -21.081 12.779 148 2HZ LYS 17 HZ2 LYS 17 -8.734 -22.208 12.814 149 3HZ LYS 17 HZ3 LYS 17 -9.182 -21.488 11.351 150 H ALA 18 HN ALA 18 -4.656 -17.283 8.064 151 HA ALA 18 HA ALA 18 -1.755 -17.668 7.797 152 1HB ALA 18 HB1 ALA 18 -3.304 -17.466 5.763 153 2HB ALA 18 HB2 ALA 18 -1.834 -16.492 5.781 154 3HB ALA 18 HB3 ALA 18 -3.387 -15.751 6.166 155 H SER 19 HN SER 19 -4.006 -15.870 9.489 156 HA SER 19 HA SER 19 -3.935 -14.000 10.774 157 1HB SER 19 HB2 SER 19 -1.047 -14.842 10.724 158 2HB SER 19 HB1 SER 19 -1.560 -13.407 11.616 159 HG SER 19 HG SER 19 -2.916 -14.703 12.850 160 H PHE 20 HN PHE 20 -0.775 -13.210 9.510 161 HA PHE 20 HA PHE 20 -1.401 -11.593 7.359 162 1HB PHE 20 HB2 PHE 20 -2.487 -10.451 9.631 163 2HB PHE 20 HB1 PHE 20 -0.957 -9.600 9.461 164 HD1 PHE 20 HD1 PHE 20 -1.138 -7.587 8.404 165 HD2 PHE 20 HD2 PHE 20 -3.638 -10.792 7.143 166 HE1 PHE 20 HE1 PHE 20 -2.140 -6.127 6.696 167 HE2 PHE 20 HE2 PHE 20 -4.642 -9.337 5.430 168 HZ PHE 20 HZ PHE 20 -3.894 -7.003 5.206 169 H GLU 21 HN GLU 21 0.680 -13.202 7.816 170 HA GLU 21 HA GLU 21 2.936 -11.338 8.144 171 1HB GLU 21 HB2 GLU 21 2.358 -13.545 9.781 172 2HB GLU 21 HB1 GLU 21 3.692 -14.056 8.755 173 1HG GLU 21 HG2 GLU 21 5.053 -12.245 9.491 174 2HG GLU 21 HG1 GLU 21 3.699 -11.503 10.343 175 H GLU 22 HN GLU 22 2.579 -14.743 7.144 176 HA GLU 22 HA GLU 22 4.532 -14.617 5.145 177 1HB GLU 22 HB2 GLU 22 3.295 -16.702 4.267 178 2HB GLU 22 HB1 GLU 22 4.006 -16.770 5.872 179 1HG GLU 22 HG2 GLU 22 1.893 -16.503 6.913 180 2HG GLU 22 HG1 GLU 22 1.119 -16.103 5.381 181 H ALA 23 HN ALA 23 0.999 -14.353 4.926 182 HA ALA 23 HA ALA 23 0.947 -14.005 2.106 183 1HB ALA 23 HB1 ALA 23 -0.971 -14.804 3.478 184 2HB ALA 23 HB2 ALA 23 -1.376 -13.493 2.369 185 3HB ALA 23 HB3 ALA 23 -1.158 -13.159 4.087 186 H SER 24 HN SER 24 1.445 -11.845 4.784 187 HA SER 24 HA SER 24 0.805 -9.441 3.372 188 1HB SER 24 HB2 SER 24 0.668 -8.993 5.607 189 2HB SER 24 HB1 SER 24 1.931 -10.150 6.024 190 HG SER 24 HG SER 24 3.365 -8.615 5.904 191 H ASN 25 HN ASN 25 3.905 -10.772 4.532 192 HA ASN 25 HA ASN 25 5.588 -8.994 3.234 193 1HB ASN 25 HB2 ASN 25 5.892 -11.788 4.246 194 2HB ASN 25 HB1 ASN 25 7.173 -11.120 3.239 195 1HD2 ASN 25 HD21 ASN 25 5.763 -11.209 6.326 196 2HD2 ASN 25 HD22 ASN 25 6.790 -10.051 7.090 197 H GLN 26 HN GLN 26 4.193 -12.030 2.062 198 HA GLN 26 HA GLN 26 5.564 -12.174 -0.376 199 1HB GLN 26 HB2 GLN 26 3.045 -13.311 0.714 200 2HB GLN 26 HB1 GLN 26 3.236 -13.335 -1.034 201 1HG GLN 26 HG2 GLN 26 5.393 -14.505 -0.740 202 2HG GLN 26 HG1 GLN 26 5.089 -14.560 0.997 203 1HE2 GLN 26 HE21 GLN 26 5.157 -16.490 -1.483 204 2HE2 GLN 26 HE22 GLN 26 3.827 -17.543 -1.157 205 H LEU 27 HN LEU 27 2.419 -10.717 0.409 206 HA LEU 27 HA LEU 27 1.756 -9.798 -2.129 207 1HB LEU 27 HB2 LEU 27 0.542 -9.722 0.267 208 2HB LEU 27 HB1 LEU 27 1.085 -8.055 0.174 209 HG LEU 27 HG LEU 27 -1.234 -8.354 -0.615 210 1HD1 LEU 27 HD11 LEU 27 -0.993 -6.690 -2.090 211 2HD1 LEU 27 HD12 LEU 27 0.079 -7.632 -3.127 212 3HD1 LEU 27 HD13 LEU 27 0.725 -6.808 -1.707 213 1HD2 LEU 27 HD21 LEU 27 -0.573 -10.673 -1.641 214 2HD2 LEU 27 HD22 LEU 27 -0.231 -9.705 -3.075 215 3HD2 LEU 27 HD23 LEU 27 -1.848 -9.697 -2.371 216 H ILE 28 HN ILE 28 3.573 -8.139 0.456 217 HA ILE 28 HA ILE 28 3.994 -5.750 -0.960 218 HB ILE 28 HB ILE 28 4.555 -6.600 1.580 219 1HG1 ILE 28 HG12 ILE 28 5.802 -4.311 1.697 220 2HG1 ILE 28 HG11 ILE 28 5.330 -4.167 0.004 221 1HG2 ILE 28 HG21 ILE 28 6.653 -7.670 0.670 222 2HG2 ILE 28 HG22 ILE 28 6.878 -6.544 2.009 223 3HG2 ILE 28 HG23 ILE 28 7.246 -6.038 0.361 224 1HD1 ILE 28 HD11 ILE 28 2.985 -4.891 1.202 225 2HD1 ILE 28 HD12 ILE 28 3.471 -3.242 0.804 226 3HD1 ILE 28 HD13 ILE 28 3.744 -3.874 2.428 227 H ASN 29 HN ASN 29 5.697 -8.812 -0.946 228 HA ASN 29 HA ASN 29 8.023 -7.962 -2.308 229 1HB ASN 29 HB2 ASN 29 7.241 -10.298 -1.133 230 2HB ASN 29 HB1 ASN 29 7.102 -10.715 -2.838 231 1HD2 ASN 29 HD21 ASN 29 9.341 -9.037 -0.655 232 2HD2 ASN 29 HD22 ASN 29 10.777 -9.725 -1.325 233 H HIS 30 HN HIS 30 4.951 -9.339 -3.408 234 HA HIS 30 HA HIS 30 5.551 -9.445 -6.146 235 1HB HIS 30 HB2 HIS 30 3.260 -9.861 -4.485 236 2HB HIS 30 HB1 HIS 30 2.789 -8.819 -5.827 237 HD1 HIS 30 HD1 HIS 30 3.174 -9.822 -8.261 238 HD2 HIS 30 HD2 HIS 30 3.594 -12.511 -5.120 239 HE1 HIS 30 HE1 HIS 30 3.072 -12.104 -9.312 240 HE2 HIS 30 HE2 HIS 30 3.412 -13.713 -7.402 241 H ILE 31 HN ILE 31 4.102 -6.916 -4.141 242 HA ILE 31 HA ILE 31 3.540 -5.049 -6.133 243 HB ILE 31 HB ILE 31 4.420 -4.551 -3.283 244 1HG1 ILE 31 HG12 ILE 31 1.638 -4.430 -4.455 245 2HG1 ILE 31 HG11 ILE 31 2.298 -5.885 -3.710 246 1HG2 ILE 31 HG21 ILE 31 4.780 -2.490 -4.253 247 2HG2 ILE 31 HG22 ILE 31 3.095 -2.357 -3.751 248 3HG2 ILE 31 HG23 ILE 31 3.489 -2.703 -5.435 249 1HD1 ILE 31 HD11 ILE 31 1.371 -3.369 -2.476 250 2HD1 ILE 31 HD12 ILE 31 2.766 -4.155 -1.736 251 3HD1 ILE 31 HD13 ILE 31 1.246 -5.033 -1.905 252 H GLU 32 HN GLU 32 6.482 -5.409 -4.156 253 HA GLU 32 HA GLU 32 7.999 -3.380 -5.264 254 1HB GLU 32 HB2 GLU 32 8.726 -6.037 -4.067 255 2HB GLU 32 HB1 GLU 32 9.974 -4.986 -4.723 256 1HG GLU 32 HG2 GLU 32 9.313 -3.217 -3.192 257 2HG GLU 32 HG1 GLU 32 8.029 -4.243 -2.549 258 H GLN 33 HN GLN 33 7.613 -6.723 -6.373 259 HA GLN 33 HA GLN 33 9.426 -6.641 -8.502 260 1HB GLN 33 HB2 GLN 33 7.007 -8.285 -7.869 261 2HB GLN 33 HB1 GLN 33 7.713 -8.402 -9.474 262 1HG GLN 33 HG2 GLN 33 9.842 -9.063 -8.516 263 2HG GLN 33 HG1 GLN 33 9.181 -8.886 -6.892 264 1HE2 GLN 33 HE21 GLN 33 10.098 -11.129 -8.944 265 2HE2 GLN 33 HE22 GLN 33 8.967 -12.389 -8.605 266 H PHE 34 HN PHE 34 5.957 -5.915 -8.385 267 HA PHE 34 HA PHE 34 5.519 -5.327 -11.049 268 1HB PHE 34 HB2 PHE 34 4.289 -4.325 -8.505 269 2HB PHE 34 HB1 PHE 34 3.812 -3.608 -10.041 270 HD1 PHE 34 HD1 PHE 34 2.984 -6.024 -7.711 271 HD2 PHE 34 HD2 PHE 34 3.289 -5.461 -11.918 272 HE1 PHE 34 HE1 PHE 34 1.398 -7.871 -8.070 273 HE2 PHE 34 HE2 PHE 34 1.703 -7.306 -12.285 274 HZ PHE 34 HZ PHE 34 0.755 -8.513 -10.359 275 H LEU 35 HN LEU 35 7.093 -3.417 -8.570 276 HA LEU 35 HA LEU 35 7.178 -1.013 -10.151 277 1HB LEU 35 HB2 LEU 35 8.596 -1.829 -7.614 278 2HB LEU 35 HB1 LEU 35 8.767 -0.249 -8.361 279 HG LEU 35 HG LEU 35 5.987 -1.057 -7.841 280 1HD1 LEU 35 HD11 LEU 35 6.623 -1.959 -5.827 281 2HD1 LEU 35 HD12 LEU 35 6.392 -0.268 -5.385 282 3HD1 LEU 35 HD13 LEU 35 8.018 -0.891 -5.664 283 1HD2 LEU 35 HD21 LEU 35 7.531 1.423 -7.101 284 2HD2 LEU 35 HD22 LEU 35 5.779 1.235 -7.182 285 3HD2 LEU 35 HD23 LEU 35 6.742 1.173 -8.658 286 H ASP 36 HN ASP 36 9.125 -3.831 -9.729 287 HA ASP 36 HA ASP 36 11.633 -2.900 -10.542 288 1HB ASP 36 HB2 ASP 36 11.137 -5.182 -9.613 289 2HB ASP 36 HB1 ASP 36 10.470 -5.618 -11.182 290 H THR 37 HN THR 37 8.944 -4.183 -12.462 291 HA THR 37 HA THR 37 10.124 -4.063 -14.980 292 HB THR 37 HB THR 37 7.473 -3.392 -15.455 293 HG1 THR 37 HG1 THR 37 6.459 -3.770 -13.642 294 1HG2 THR 37 HG21 THR 37 7.569 -6.184 -15.185 295 2HG2 THR 37 HG22 THR 37 9.198 -5.688 -15.638 296 3HG2 THR 37 HG23 THR 37 7.826 -5.241 -16.652 297 H ASN 38 HN ASN 38 7.644 -1.749 -13.908 298 HA ASN 38 HA ASN 38 7.719 0.560 -13.812 299 1HB ASN 38 HB2 ASN 38 10.178 0.416 -15.570 300 2HB ASN 38 HB1 ASN 38 9.485 1.880 -14.880 301 1HD2 ASN 38 HD21 ASN 38 9.231 1.788 -12.449 302 2HD2 ASN 38 HD22 ASN 38 10.562 1.134 -11.569 303 H GLU 39 HN GLU 39 5.870 -0.514 -15.114 304 HA GLU 39 HA GLU 39 5.812 0.784 -17.757 305 1HB GLU 39 HB2 GLU 39 4.977 -1.973 -16.959 306 2HB GLU 39 HB1 GLU 39 4.075 -1.149 -18.224 307 1HG GLU 39 HG2 GLU 39 6.967 -1.024 -18.579 308 2HG GLU 39 HG1 GLU 39 6.316 -2.662 -18.592 309 H THR 40 HN THR 40 3.319 0.756 -18.487 310 HA THR 40 HA THR 40 2.004 2.408 -16.524 311 HB THR 40 HB THR 40 1.084 1.587 -19.283 312 HG1 THR 40 HG1 THR 40 2.692 3.646 -18.288 313 1HG2 THR 40 HG21 THR 40 -0.841 2.217 -18.023 314 2HG2 THR 40 HG22 THR 40 -0.410 3.600 -19.029 315 3HG2 THR 40 HG23 THR 40 -0.002 3.596 -17.313 316 HA PRO 41 HA PRO 41 -1.284 -1.126 -16.731 317 1HB PRO 41 HB2 PRO 41 0.095 -3.475 -17.783 318 2HB PRO 41 HB1 PRO 41 -1.411 -2.731 -18.326 319 1HG PRO 41 HG2 PRO 41 0.864 -2.650 -19.789 320 2HG PRO 41 HG1 PRO 41 -0.344 -1.351 -19.823 321 1HD PRO 41 HD2 PRO 41 2.258 -1.483 -18.340 322 2HD PRO 41 HD1 PRO 41 1.538 -0.126 -19.233 323 H TYR 42 HN TYR 42 1.967 -1.407 -15.798 324 HA TYR 42 HA TYR 42 1.537 -3.613 -13.960 325 1HB TYR 42 HB2 TYR 42 3.899 -1.987 -14.804 326 2HB TYR 42 HB1 TYR 42 3.968 -2.855 -13.272 327 HD1 TYR 42 HD1 TYR 42 4.534 -5.122 -13.235 328 HD2 TYR 42 HD2 TYR 42 3.302 -3.352 -16.902 329 HE1 TYR 42 HE1 TYR 42 5.138 -7.186 -14.428 330 HE2 TYR 42 HE2 TYR 42 3.902 -5.411 -18.104 331 HH TYR 42 HH TYR 42 4.166 -7.843 -17.575 332 H PHE 43 HN PHE 43 1.923 -0.111 -13.851 333 HA PHE 43 HA PHE 43 2.086 0.092 -11.025 334 1HB PHE 43 HB2 PHE 43 1.682 1.974 -13.284 335 2HB PHE 43 HB1 PHE 43 1.115 2.510 -11.704 336 HD1 PHE 43 HD1 PHE 43 2.954 1.835 -9.772 337 HD2 PHE 43 HD2 PHE 43 3.754 2.747 -13.851 338 HE1 PHE 43 HE1 PHE 43 5.247 2.491 -9.171 339 HE2 PHE 43 HE2 PHE 43 6.050 3.404 -13.258 340 HZ PHE 43 HZ PHE 43 6.799 3.276 -10.915 341 H MET 44 HN MET 44 -0.530 -0.312 -13.243 342 HA MET 44 HA MET 44 -2.625 0.655 -11.587 343 1HB MET 44 HB2 MET 44 -2.616 -1.302 -13.889 344 2HB MET 44 HB1 MET 44 -4.084 -0.748 -13.095 345 1HG MET 44 HG2 MET 44 -3.504 1.567 -13.708 346 2HG MET 44 HG1 MET 44 -2.096 0.958 -14.575 347 1HE MET 44 HE1 MET 44 -4.499 2.811 -15.891 348 2HE MET 44 HE2 MET 44 -4.488 2.037 -17.476 349 3HE MET 44 HE3 MET 44 -2.969 2.342 -16.633 350 H LYS 45 HN LYS 45 -0.927 -2.374 -11.871 351 HA LYS 45 HA LYS 45 -2.763 -3.873 -10.255 352 1HB LYS 45 HB2 LYS 45 -0.770 -4.546 -12.007 353 2HB LYS 45 HB1 LYS 45 -0.001 -4.864 -10.457 354 1HG LYS 45 HG2 LYS 45 -1.031 -6.821 -10.412 355 2HG LYS 45 HG1 LYS 45 -2.569 -5.966 -10.276 356 1HD LYS 45 HD2 LYS 45 -2.122 -5.763 -12.935 357 2HD LYS 45 HD1 LYS 45 -1.344 -7.310 -12.594 358 1HE LYS 45 HE2 LYS 45 -3.317 -8.297 -11.899 359 2HE LYS 45 HE1 LYS 45 -4.074 -6.752 -11.518 360 1HZ LYS 45 HZ1 LYS 45 -4.893 -7.936 -13.572 361 2HZ LYS 45 HZ2 LYS 45 -3.415 -7.545 -14.293 362 3HZ LYS 45 HZ3 LYS 45 -4.455 -6.315 -13.777 363 H SER 46 HN SER 46 0.023 -1.870 -9.709 364 HA SER 46 HA SER 46 0.730 -2.820 -7.141 365 1HB SER 46 HB2 SER 46 1.087 0.051 -7.955 366 2HB SER 46 HB1 SER 46 2.167 -0.980 -7.014 367 HG SER 46 HG SER 46 3.139 -1.362 -8.825 368 H ILE 47 HN ILE 47 -1.207 -0.010 -8.166 369 HA ILE 47 HA ILE 47 -2.036 0.780 -5.611 370 HB ILE 47 HB ILE 47 -3.698 1.078 -8.111 371 1HG1 ILE 47 HG12 ILE 47 -1.662 3.099 -7.221 372 2HG1 ILE 47 HG11 ILE 47 -1.182 1.755 -8.252 373 1HG2 ILE 47 HG21 ILE 47 -3.449 2.732 -5.603 374 2HG2 ILE 47 HG22 ILE 47 -4.825 1.739 -6.085 375 3HG2 ILE 47 HG23 ILE 47 -4.406 3.175 -7.016 376 1HD1 ILE 47 HD11 ILE 47 -1.618 3.495 -9.727 377 2HD1 ILE 47 HD12 ILE 47 -3.065 3.999 -8.853 378 3HD1 ILE 47 HD13 ILE 47 -3.076 2.506 -9.792 379 H ASP 48 HN ASP 48 -3.395 -1.524 -7.914 380 HA ASP 48 HA ASP 48 -5.805 -2.050 -6.564 381 1HB ASP 48 HB2 ASP 48 -4.547 -2.973 -8.882 382 2HB ASP 48 HB1 ASP 48 -4.710 -4.406 -7.869 383 H CYS 49 HN CYS 49 -2.546 -3.043 -6.007 384 HA CYS 49 HA CYS 49 -3.248 -5.187 -4.198 385 1HB CYS 49 HB2 CYS 49 -0.719 -4.026 -5.266 386 2HB CYS 49 HB1 CYS 49 -0.642 -4.887 -3.730 387 HG CYS 49 HG CYS 49 0.000 -6.355 -6.257 388 H ILE 50 HN ILE 50 -1.816 -1.929 -3.959 389 HA ILE 50 HA ILE 50 -1.557 -1.916 -1.156 390 HB ILE 50 HB ILE 50 -0.675 -0.254 -3.044 391 1HG1 ILE 50 HG12 ILE 50 -1.305 0.855 -0.311 392 2HG1 ILE 50 HG11 ILE 50 -0.121 -0.430 -0.545 393 1HG2 ILE 50 HG21 ILE 50 -2.822 1.460 -1.864 394 2HG2 ILE 50 HG22 ILE 50 -3.120 0.530 -3.333 395 3HG2 ILE 50 HG23 ILE 50 -1.832 1.734 -3.297 396 1HD1 ILE 50 HD11 ILE 50 1.389 0.955 -1.516 397 2HD1 ILE 50 HD12 ILE 50 0.554 2.123 -0.490 398 3HD1 ILE 50 HD13 ILE 50 0.153 2.009 -2.205 399 H ARG 51 HN ARG 51 -4.261 -1.576 -3.221 400 HA ARG 51 HA ARG 51 -5.930 -0.134 -1.379 401 1HB ARG 51 HB2 ARG 51 -6.339 -1.504 -4.007 402 2HB ARG 51 HB1 ARG 51 -7.745 -1.143 -3.015 403 1HG ARG 51 HG2 ARG 51 -6.076 1.171 -3.156 404 2HG ARG 51 HG1 ARG 51 -6.381 0.564 -4.784 405 1HD ARG 51 HD2 ARG 51 -8.779 0.578 -4.355 406 2HD ARG 51 HD1 ARG 51 -8.492 1.142 -2.709 407 HE ARG 51 HE ARG 51 -7.417 3.139 -3.899 408 1HH1 ARG 51 HH11 ARG 51 -10.121 1.322 -5.137 409 2HH1 ARG 51 HH12 ARG 51 -10.774 2.656 -6.028 410 1HH2 ARG 51 HH21 ARG 51 -8.272 4.900 -5.067 411 2HH2 ARG 51 HH22 ARG 51 -9.723 4.690 -5.988 412 H ALA 52 HN ALA 52 -5.850 -3.485 -2.572 413 HA ALA 52 HA ALA 52 -7.765 -4.494 -0.778 414 1HB ALA 52 HB1 ALA 52 -6.956 -5.621 -2.860 415 2HB ALA 52 HB2 ALA 52 -7.045 -6.672 -1.446 416 3HB ALA 52 HB3 ALA 52 -5.486 -6.052 -1.986 417 H PHE 53 HN PHE 53 -4.321 -3.965 -0.466 418 HA PHE 53 HA PHE 53 -4.005 -5.483 1.937 419 1HB PHE 53 HB2 PHE 53 -2.238 -4.637 0.148 420 2HB PHE 53 HB1 PHE 53 -2.138 -3.258 1.241 421 HD1 PHE 53 HD1 PHE 53 -0.380 -5.947 0.408 422 HD2 PHE 53 HD2 PHE 53 -2.289 -4.376 3.874 423 HE1 PHE 53 HE1 PHE 53 1.181 -7.204 1.835 424 HE2 PHE 53 HE2 PHE 53 -0.731 -5.631 5.305 425 HZ PHE 53 HZ PHE 53 1.007 -7.046 4.286 426 H ARG 54 HN ARG 54 -3.967 -1.967 1.304 427 HA ARG 54 HA ARG 54 -3.836 -1.027 3.868 428 1HB ARG 54 HB2 ARG 54 -5.091 0.014 1.371 429 2HB ARG 54 HB1 ARG 54 -5.440 0.845 2.883 430 1HG ARG 54 HG2 ARG 54 -2.964 1.035 3.238 431 2HG ARG 54 HG1 ARG 54 -2.757 0.429 1.591 432 1HD ARG 54 HD2 ARG 54 -4.161 2.307 0.779 433 2HD ARG 54 HD1 ARG 54 -4.213 2.935 2.428 434 HE ARG 54 HE ARG 54 -1.738 3.132 2.244 435 1HH1 ARG 54 HH11 ARG 54 -3.717 3.080 -0.625 436 2HH1 ARG 54 HH12 ARG 54 -2.571 3.953 -1.586 437 1HH2 ARG 54 HH21 ARG 54 -0.225 4.282 0.985 438 2HH2 ARG 54 HH22 ARG 54 -0.587 4.635 -0.672 439 H GLU 55 HN GLU 55 -6.738 -2.064 2.125 440 HA GLU 55 HA GLU 55 -8.579 -1.339 4.145 441 1HB GLU 55 HB2 GLU 55 -8.662 -3.059 1.712 442 2HB GLU 55 HB1 GLU 55 -9.963 -3.214 2.885 443 1HG GLU 55 HG2 GLU 55 -10.377 -0.790 2.695 444 2HG GLU 55 HG1 GLU 55 -9.132 -0.702 1.450 445 H GLU 56 HN GLU 56 -7.010 -4.442 3.370 446 HA GLU 56 HA GLU 56 -8.349 -5.939 5.358 447 1HB GLU 56 HB2 GLU 56 -5.841 -6.350 3.762 448 2HB GLU 56 HB1 GLU 56 -6.268 -7.468 5.053 449 1HG GLU 56 HG2 GLU 56 -8.544 -7.020 3.378 450 2HG GLU 56 HG1 GLU 56 -7.154 -7.474 2.391 451 H ALA 57 HN ALA 57 -5.593 -3.826 5.440 452 HA ALA 57 HA ALA 57 -4.649 -4.799 7.991 453 1HB ALA 57 HB1 ALA 57 -3.213 -3.810 6.112 454 2HB ALA 57 HB2 ALA 57 -2.873 -3.297 7.765 455 3HB ALA 57 HB3 ALA 57 -3.783 -2.243 6.684 456 H ILE 58 HN ILE 58 -5.930 -1.685 6.800 457 HA ILE 58 HA ILE 58 -6.221 -0.471 9.288 458 HB ILE 58 HB ILE 58 -7.811 1.058 8.270 459 1HG1 ILE 58 HG12 ILE 58 -7.855 0.074 5.575 460 2HG1 ILE 58 HG11 ILE 58 -8.476 -1.174 6.653 461 1HG2 ILE 58 HG21 ILE 58 -6.159 0.936 5.936 462 2HG2 ILE 58 HG22 ILE 58 -5.205 0.550 7.368 463 3HG2 ILE 58 HG23 ILE 58 -6.102 2.066 7.289 464 1HD1 ILE 58 HD11 ILE 58 -10.162 0.426 5.674 465 2HD1 ILE 58 HD12 ILE 58 -9.462 1.658 6.725 466 3HD1 ILE 58 HD13 ILE 58 -10.205 0.219 7.425 467 H LYS 59 HN LYS 59 -8.417 -2.589 7.520 468 HA LYS 59 HA LYS 59 -10.701 -2.373 9.020 469 1HB LYS 59 HB2 LYS 59 -9.471 -4.508 7.394 470 2HB LYS 59 HB1 LYS 59 -10.666 -5.052 8.563 471 1HG LYS 59 HG2 LYS 59 -12.162 -3.207 7.571 472 2HG LYS 59 HG1 LYS 59 -11.017 -3.216 6.226 473 1HD LYS 59 HD2 LYS 59 -11.421 -5.608 5.902 474 2HD LYS 59 HD1 LYS 59 -12.558 -5.601 7.251 475 1HE LYS 59 HE2 LYS 59 -14.112 -4.297 6.080 476 2HE LYS 59 HE1 LYS 59 -12.916 -3.784 4.889 477 1HZ LYS 59 HZ1 LYS 59 -12.828 -6.158 4.164 478 2HZ LYS 59 HZ2 LYS 59 -14.299 -5.382 3.859 479 3HZ LYS 59 HZ3 LYS 59 -14.164 -6.460 5.156 480 H PHE 60 HN PHE 60 -8.025 -4.696 9.620 481 HA PHE 60 HA PHE 60 -8.009 -4.318 12.394 482 1HB PHE 60 HB2 PHE 60 -8.991 -6.740 12.863 483 2HB PHE 60 HB1 PHE 60 -10.025 -5.316 12.840 484 HD1 PHE 60 HD1 PHE 60 -8.710 -7.914 10.495 485 HD2 PHE 60 HD2 PHE 60 -11.964 -5.414 11.625 486 HE1 PHE 60 HE1 PHE 60 -10.110 -8.961 8.765 487 HE2 PHE 60 HE2 PHE 60 -13.370 -6.457 9.896 488 HZ PHE 60 HZ PHE 60 -12.443 -8.233 8.463 489 H SER 61 HN SER 61 -5.810 -4.385 11.316 490 HA SER 61 HA SER 61 -4.667 -6.984 11.859 491 1HB SER 61 HB2 SER 61 -5.105 -6.066 9.158 492 2HB SER 61 HB1 SER 61 -3.384 -6.294 9.467 493 HG SER 61 HG SER 61 -3.733 -8.403 9.922 494 H GLU 62 HN GLU 62 -2.868 -4.837 9.847 495 HA GLU 62 HA GLU 62 -1.479 -3.781 12.213 496 1HB GLU 62 HB2 GLU 62 -0.152 -4.932 9.753 497 2HB GLU 62 HB1 GLU 62 0.682 -4.151 11.092 498 1HG GLU 62 HG2 GLU 62 -1.078 -6.490 11.641 499 2HG GLU 62 HG1 GLU 62 0.524 -6.752 10.948 500 H GLU 63 HN GLU 63 -3.093 -2.061 11.389 501 HA GLU 63 HA GLU 63 -2.665 -0.579 9.082 502 1HB GLU 63 HB2 GLU 63 -3.691 1.318 10.313 503 2HB GLU 63 HB1 GLU 63 -4.593 -0.182 10.478 504 1HG GLU 63 HG2 GLU 63 -3.389 -0.515 12.673 505 2HG GLU 63 HG1 GLU 63 -2.826 1.149 12.508 506 H GLN 64 HN GLN 64 -0.942 -0.476 12.149 507 HA GLN 64 HA GLN 64 0.535 1.899 11.594 508 1HB GLN 64 HB2 GLN 64 0.917 -0.360 13.557 509 2HB GLN 64 HB1 GLN 64 2.048 0.980 13.445 510 1HG GLN 64 HG2 GLN 64 0.181 2.536 13.906 511 2HG GLN 64 HG1 GLN 64 -0.876 1.143 14.135 512 1HE2 GLN 64 HE21 GLN 64 -0.762 -0.023 16.002 513 2HE2 GLN 64 HE22 GLN 64 0.200 0.442 17.361 514 H ARG 65 HN ARG 65 0.891 -1.422 10.697 515 HA ARG 65 HA ARG 65 3.681 -1.331 10.091 516 1HB ARG 65 HB2 ARG 65 2.661 -3.478 10.465 517 2HB ARG 65 HB1 ARG 65 1.465 -3.190 9.209 518 1HG ARG 65 HG2 ARG 65 3.236 -3.230 7.521 519 2HG ARG 65 HG1 ARG 65 4.426 -3.546 8.787 520 1HD ARG 65 HD2 ARG 65 2.611 -5.500 9.281 521 2HD ARG 65 HD1 ARG 65 2.470 -5.348 7.529 522 HE ARG 65 HE ARG 65 5.028 -5.596 7.622 523 1HH1 ARG 65 HH11 ARG 65 2.784 -7.149 9.789 524 2HH1 ARG 65 HH12 ARG 65 3.816 -8.507 10.090 525 1HH2 ARG 65 HH21 ARG 65 6.392 -7.381 8.012 526 2HH2 ARG 65 HH22 ARG 65 5.867 -8.639 9.080 527 H PHE 66 HN PHE 66 0.860 -0.146 8.623 528 HA PHE 66 HA PHE 66 1.985 -0.065 5.945 529 1HB PHE 66 HB2 PHE 66 -0.626 -0.172 6.908 530 2HB PHE 66 HB1 PHE 66 -0.452 1.477 6.307 531 HD1 PHE 66 HD1 PHE 66 1.017 1.453 3.973 532 HD2 PHE 66 HD2 PHE 66 -1.578 -1.604 5.397 533 HE1 PHE 66 HE1 PHE 66 0.711 0.644 1.668 534 HE2 PHE 66 HE2 PHE 66 -1.888 -2.418 3.097 535 HZ PHE 66 HZ PHE 66 -0.742 -1.294 1.229 536 H ASN 67 HN ASN 67 1.019 2.195 8.526 537 HA ASN 67 HA ASN 67 1.869 4.505 7.083 538 1HB ASN 67 HB2 ASN 67 1.969 5.460 9.552 539 2HB ASN 67 HB1 ASN 67 0.432 5.178 8.753 540 1HD2 ASN 67 HD21 ASN 67 -1.001 4.040 9.809 541 2HD2 ASN 67 HD22 ASN 67 -0.687 3.045 11.184 542 H ASN 68 HN ASN 68 3.419 2.033 8.777 543 HA ASN 68 HA ASN 68 5.807 3.477 9.478 544 1HB ASN 68 HB2 ASN 68 5.218 1.456 10.713 545 2HB ASN 68 HB1 ASN 68 5.287 0.502 9.234 546 1HD2 ASN 68 HD21 ASN 68 7.049 1.873 11.814 547 2HD2 ASN 68 HD22 ASN 68 8.612 1.305 11.350 548 H PHE 69 HN PHE 69 5.151 0.910 7.096 549 HA PHE 69 HA PHE 69 7.497 1.278 5.609 550 1HB PHE 69 HB2 PHE 69 5.662 -0.619 5.570 551 2HB PHE 69 HB1 PHE 69 4.992 0.352 4.260 552 HD1 PHE 69 HD1 PHE 69 7.861 -1.664 5.344 553 HD2 PHE 69 HD2 PHE 69 6.074 0.481 2.133 554 HE1 PHE 69 HE1 PHE 69 9.448 -2.699 3.774 555 HE2 PHE 69 HE2 PHE 69 7.657 -0.551 0.557 556 HZ PHE 69 HZ PHE 69 9.346 -2.144 1.377 557 H LEU 70 HN LEU 70 4.448 2.928 5.527 558 HA LEU 70 HA LEU 70 4.800 4.176 2.983 559 1HB LEU 70 HB2 LEU 70 2.852 4.304 5.155 560 2HB LEU 70 HB1 LEU 70 3.132 5.864 4.399 561 HG LEU 70 HG LEU 70 2.422 3.383 2.837 562 1HD1 LEU 70 HD11 LEU 70 0.748 4.665 4.612 563 2HD1 LEU 70 HD12 LEU 70 0.252 3.658 3.252 564 3HD1 LEU 70 HD13 LEU 70 0.353 5.408 3.061 565 1HD2 LEU 70 HD21 LEU 70 3.344 4.856 1.327 566 2HD2 LEU 70 HD22 LEU 70 2.774 6.277 2.201 567 3HD2 LEU 70 HD23 LEU 70 1.640 5.306 1.262 568 H LYS 71 HN LYS 71 5.299 5.276 6.329 569 HA LYS 71 HA LYS 71 6.165 7.849 5.834 570 1HB LYS 71 HB2 LYS 71 6.435 5.912 8.004 571 2HB LYS 71 HB1 LYS 71 7.795 7.021 7.910 572 1HG LYS 71 HG2 LYS 71 6.087 8.892 7.856 573 2HG LYS 71 HG1 LYS 71 4.892 7.672 8.311 574 1HD LYS 71 HD2 LYS 71 6.482 7.105 10.238 575 2HD LYS 71 HD1 LYS 71 7.279 8.635 9.863 576 1HE LYS 71 HE2 LYS 71 5.336 9.882 10.358 577 2HE LYS 71 HE1 LYS 71 4.321 8.440 10.364 578 1HZ LYS 71 HZ1 LYS 71 5.345 7.706 12.374 579 2HZ LYS 71 HZ2 LYS 71 4.855 9.308 12.603 580 3HZ LYS 71 HZ3 LYS 71 6.486 8.955 12.328 581 H ALA 72 HN ALA 72 7.995 4.825 5.719 582 HA ALA 72 HA ALA 72 10.494 6.107 5.132 583 1HB ALA 72 HB1 ALA 72 11.361 3.880 4.815 584 2HB ALA 72 HB2 ALA 72 9.729 3.217 4.730 585 3HB ALA 72 HB3 ALA 72 10.326 3.898 6.243 586 H LEU 73 HN LEU 73 8.022 4.421 3.246 587 HA LEU 73 HA LEU 73 9.280 4.396 0.767 588 1HB LEU 73 HB2 LEU 73 7.181 3.209 1.268 589 2HB LEU 73 HB1 LEU 73 6.336 4.746 1.355 590 HG LEU 73 HG LEU 73 7.191 5.044 -1.100 591 1HD1 LEU 73 HD11 LEU 73 7.287 2.872 -2.288 592 2HD1 LEU 73 HD12 LEU 73 7.330 2.058 -0.724 593 3HD1 LEU 73 HD13 LEU 73 8.646 3.134 -1.195 594 1HD2 LEU 73 HD21 LEU 73 5.168 3.717 -1.878 595 2HD2 LEU 73 HD22 LEU 73 4.880 4.977 -0.679 596 3HD2 LEU 73 HD23 LEU 73 4.934 3.286 -0.184 597 H GLN 74 HN GLN 74 7.404 6.913 2.353 598 HA GLN 74 HA GLN 74 7.280 8.726 0.213 599 1HB GLN 74 HB2 GLN 74 5.956 8.857 2.342 600 2HB GLN 74 HB1 GLN 74 7.410 9.432 3.146 601 1HG GLN 74 HG2 GLN 74 6.988 11.013 0.824 602 2HG GLN 74 HG1 GLN 74 5.473 10.917 1.722 603 1HE2 GLN 74 HE21 GLN 74 8.907 11.650 2.051 604 2HE2 GLN 74 HE22 GLN 74 8.726 12.785 3.340 605 H GLU 75 HN GLU 75 9.531 8.581 2.966 606 HA GLU 75 HA GLU 75 11.195 10.673 2.203 607 1HB GLU 75 HB2 GLU 75 11.358 8.386 4.025 608 2HB GLU 75 HB1 GLU 75 12.922 8.898 3.406 609 1HG GLU 75 HG2 GLU 75 12.446 11.188 4.170 610 2HG GLU 75 HG1 GLU 75 10.921 10.622 4.848 611 H LYS 76 HN LYS 76 10.990 7.422 0.980 612 HA LYS 76 HA LYS 76 13.553 7.530 -0.360 613 1HB LYS 76 HB2 LYS 76 11.361 5.533 -0.088 614 2HB LYS 76 HB1 LYS 76 12.412 5.403 -1.491 615 1HG LYS 76 HG2 LYS 76 14.049 5.779 0.795 616 2HG LYS 76 HG1 LYS 76 12.875 4.512 1.156 617 1HD LYS 76 HD2 LYS 76 13.522 3.547 -1.140 618 2HD LYS 76 HD1 LYS 76 14.924 4.613 -1.035 619 1HE LYS 76 HE2 LYS 76 15.870 2.847 -0.005 620 2HE LYS 76 HE1 LYS 76 15.002 3.458 1.404 621 1HZ LYS 76 HZ1 LYS 76 14.066 1.329 -0.444 622 2HZ LYS 76 HZ2 LYS 76 13.176 1.943 0.857 623 3HZ LYS 76 HZ3 LYS 76 14.618 1.108 1.140 624 H VAL 77 HN VAL 77 10.159 7.351 -1.391 625 HA VAL 77 HA VAL 77 10.586 7.712 -4.122 626 HB VAL 77 HB VAL 77 8.423 6.992 -3.231 627 1HG1 VAL 77 HG11 VAL 77 6.961 8.375 -2.028 628 2HG1 VAL 77 HG12 VAL 77 7.893 9.826 -2.395 629 3HG1 VAL 77 HG13 VAL 77 8.535 8.625 -1.275 630 1HG2 VAL 77 HG21 VAL 77 7.184 7.929 -4.896 631 2HG2 VAL 77 HG22 VAL 77 8.797 8.409 -5.422 632 3HG2 VAL 77 HG23 VAL 77 7.770 9.559 -4.566 633 H GLU 78 HN GLU 78 10.509 9.989 -1.484 634 HA GLU 78 HA GLU 78 10.130 12.366 -2.907 635 1HB GLU 78 HB2 GLU 78 11.061 11.589 -0.261 636 2HB GLU 78 HB1 GLU 78 11.936 12.984 -0.874 637 1HG GLU 78 HG2 GLU 78 9.106 13.253 -1.340 638 2HG GLU 78 HG1 GLU 78 9.451 12.966 0.366 639 H ILE 79 HN ILE 79 13.150 10.785 -1.880 640 HA ILE 79 HA ILE 79 14.825 12.501 -3.398 641 HB ILE 79 HB ILE 79 15.349 9.741 -2.287 642 1HG1 ILE 79 HG12 ILE 79 16.836 11.938 -1.131 643 2HG1 ILE 79 HG11 ILE 79 15.102 12.246 -1.048 644 1HG2 ILE 79 HG21 ILE 79 16.909 9.957 -4.027 645 2HG2 ILE 79 HG22 ILE 79 17.782 10.452 -2.576 646 3HG2 ILE 79 HG23 ILE 79 17.169 11.669 -3.696 647 1HD1 ILE 79 HD11 ILE 79 15.266 11.093 0.864 648 2HD1 ILE 79 HD12 ILE 79 16.746 10.270 0.368 649 3HD1 ILE 79 HD13 ILE 79 15.180 9.693 -0.205 650 H LYS 80 HN LYS 80 14.623 8.999 -3.943 651 HA LYS 80 HA LYS 80 13.778 9.281 -6.670 652 1HB LYS 80 HB2 LYS 80 16.175 9.937 -6.799 653 2HB LYS 80 HB1 LYS 80 16.610 8.360 -6.156 654 1HG LYS 80 HG2 LYS 80 15.205 7.490 -8.193 655 2HG LYS 80 HG1 LYS 80 15.564 9.092 -8.843 656 1HD LYS 80 HD2 LYS 80 17.898 8.713 -8.744 657 2HD LYS 80 HD1 LYS 80 17.694 7.269 -7.749 658 1HE LYS 80 HE2 LYS 80 18.099 6.361 -9.833 659 2HE LYS 80 HE1 LYS 80 16.336 6.383 -9.780 660 1HZ LYS 80 HZ1 LYS 80 17.169 8.835 -10.801 661 2HZ LYS 80 HZ2 LYS 80 16.362 7.592 -11.618 662 3HZ LYS 80 HZ3 LYS 80 18.052 7.644 -11.617 663 H GLN 81 HN GLN 81 12.525 7.568 -7.012 664 HA GLN 81 HA GLN 81 13.328 4.907 -6.719 665 1HB GLN 81 HB2 GLN 81 12.294 6.115 -4.302 666 2HB GLN 81 HB1 GLN 81 11.253 4.800 -4.831 667 1HG GLN 81 HG2 GLN 81 14.187 4.346 -4.757 668 2HG GLN 81 HG1 GLN 81 13.295 4.380 -3.237 669 1HE2 GLN 81 HE21 GLN 81 13.008 2.371 -2.591 670 2HE2 GLN 81 HE22 GLN 81 12.473 1.054 -3.572 671 H LEU 82 HN LEU 82 10.169 6.198 -5.783 672 HA LEU 82 HA LEU 82 9.091 5.287 -8.370 673 1HB LEU 82 HB2 LEU 82 6.952 4.879 -6.918 674 2HB LEU 82 HB1 LEU 82 8.220 3.667 -7.001 675 HG LEU 82 HG LEU 82 8.710 5.503 -4.823 676 1HD1 LEU 82 HD11 LEU 82 6.041 4.108 -4.886 677 2HD1 LEU 82 HD12 LEU 82 6.346 5.837 -4.710 678 3HD1 LEU 82 HD13 LEU 82 6.803 4.724 -3.420 679 1HD2 LEU 82 HD21 LEU 82 9.193 3.562 -3.666 680 2HD2 LEU 82 HD22 LEU 82 9.514 3.088 -5.334 681 3HD2 LEU 82 HD23 LEU 82 8.004 2.611 -4.557 682 H ASN 83 HN ASN 83 9.792 7.794 -8.385 683 HA ASN 83 HA ASN 83 8.123 9.721 -7.245 684 1HB ASN 83 HB2 ASN 83 10.354 10.003 -8.522 685 2HB ASN 83 HB1 ASN 83 9.351 10.065 -9.968 686 1HD2 ASN 83 HD21 ASN 83 8.767 12.006 -10.587 687 2HD2 ASN 83 HD22 ASN 83 8.617 13.400 -9.577 688 H HIS 84 HN HIS 84 7.478 7.480 -9.729 689 HA HIS 84 HA HIS 84 5.380 9.049 -10.968 690 1HB HIS 84 HB2 HIS 84 5.177 6.315 -11.726 691 2HB HIS 84 HB1 HIS 84 5.754 7.672 -12.686 692 HD1 HIS 84 HD1 HIS 84 7.189 5.317 -10.055 693 HD2 HIS 84 HD2 HIS 84 8.295 7.322 -13.522 694 HE1 HIS 84 HE1 HIS 84 9.555 4.601 -10.520 695 HE2 HIS 84 HE2 HIS 84 10.168 5.751 -12.675 696 H PHE 85 HN PHE 85 5.689 6.434 -8.647 697 HA PHE 85 HA PHE 85 2.915 5.777 -8.572 698 1HB PHE 85 HB2 PHE 85 4.895 4.334 -7.800 699 2HB PHE 85 HB1 PHE 85 4.861 5.295 -6.323 700 HD1 PHE 85 HD1 PHE 85 2.492 3.404 -8.507 701 HD2 PHE 85 HD2 PHE 85 3.668 4.459 -4.554 702 HE1 PHE 85 HE1 PHE 85 0.739 1.938 -7.596 703 HE2 PHE 85 HE2 PHE 85 1.916 2.992 -3.637 704 HZ PHE 85 HZ PHE 85 0.450 1.730 -5.160 705 H TRP 86 HN TRP 86 4.858 8.235 -7.115 706 HA TRP 86 HA TRP 86 3.130 8.805 -4.922 707 1HB TRP 86 HB2 TRP 86 5.594 9.427 -5.159 708 2HB TRP 86 HB1 TRP 86 5.057 10.731 -6.214 709 HD1 TRP 86 HD1 TRP 86 4.858 12.930 -4.985 710 HE1 TRP 86 HE1 TRP 86 4.286 13.683 -2.586 711 HE3 TRP 86 HE3 TRP 86 4.009 8.353 -2.892 712 HZ2 TRP 86 HZ2 TRP 86 3.568 12.478 -0.129 713 HZ3 TRP 86 HZ3 TRP 86 3.384 8.235 -0.516 714 HH2 TRP 86 HH2 TRP 86 3.167 10.259 0.832 715 H GLU 87 HN GLU 87 3.783 10.579 -7.951 716 HA GLU 87 HA GLU 87 1.654 12.388 -7.693 717 1HB GLU 87 HB2 GLU 87 3.211 11.395 -10.074 718 2HB GLU 87 HB1 GLU 87 1.914 12.570 -10.246 719 1HG GLU 87 HG2 GLU 87 3.073 14.205 -9.066 720 2HG GLU 87 HG1 GLU 87 4.172 13.034 -8.338 721 H ILE 88 HN ILE 88 1.720 9.097 -8.438 722 HA ILE 88 HA ILE 88 -0.759 9.035 -9.946 723 HB ILE 88 HB ILE 88 1.153 6.953 -8.972 724 1HG1 ILE 88 HG12 ILE 88 -0.241 7.250 -11.635 725 2HG1 ILE 88 HG11 ILE 88 1.252 8.100 -11.237 726 1HG2 ILE 88 HG21 ILE 88 -1.739 6.478 -9.625 727 2HG2 ILE 88 HG22 ILE 88 -0.809 5.900 -8.242 728 3HG2 ILE 88 HG23 ILE 88 -0.518 5.226 -9.846 729 1HD1 ILE 88 HD11 ILE 88 2.133 5.717 -10.686 730 2HD1 ILE 88 HD12 ILE 88 2.032 6.259 -12.361 731 3HD1 ILE 88 HD13 ILE 88 0.790 5.194 -11.703 732 H VAL 89 HN VAL 89 0.262 7.642 -6.829 733 HA VAL 89 HA VAL 89 -2.155 6.933 -5.782 734 HB VAL 89 HB VAL 89 0.230 8.118 -4.359 735 1HG1 VAL 89 HG11 VAL 89 -1.754 8.475 -2.980 736 2HG1 VAL 89 HG12 VAL 89 -0.702 7.248 -2.276 737 3HG1 VAL 89 HG13 VAL 89 -2.169 6.767 -3.128 738 1HG2 VAL 89 HG21 VAL 89 -0.619 5.278 -4.139 739 2HG2 VAL 89 HG22 VAL 89 0.997 5.983 -4.094 740 3HG2 VAL 89 HG23 VAL 89 0.154 5.806 -5.633 741 H VAL 90 HN VAL 90 -0.826 10.154 -6.096 742 HA VAL 90 HA VAL 90 -2.987 11.325 -4.531 743 HB VAL 90 HB VAL 90 -0.684 12.267 -4.375 744 1HG1 VAL 90 HG11 VAL 90 0.303 13.502 -6.113 745 2HG1 VAL 90 HG12 VAL 90 -1.159 13.434 -7.099 746 3HG1 VAL 90 HG13 VAL 90 -0.206 11.974 -6.834 747 1HG2 VAL 90 HG21 VAL 90 -2.696 14.231 -5.458 748 2HG2 VAL 90 HG22 VAL 90 -1.371 14.567 -4.344 749 3HG2 VAL 90 HG23 VAL 90 -2.727 13.567 -3.824 750 H GLN 91 HN GLN 91 -1.844 11.212 -7.870 751 HA GLN 91 HA GLN 91 -3.578 12.827 -9.183 752 1HB GLN 91 HB2 GLN 91 -2.080 10.463 -9.886 753 2HB GLN 91 HB1 GLN 91 -3.625 10.470 -10.724 754 1HG GLN 91 HG2 GLN 91 -3.080 12.831 -11.437 755 2HG GLN 91 HG1 GLN 91 -1.450 12.534 -10.836 756 1HE2 GLN 91 HE21 GLN 91 -0.091 12.022 -12.378 757 2HE2 GLN 91 HE22 GLN 91 -0.447 11.105 -13.799 758 H ASP 92 HN ASP 92 -4.335 9.826 -7.588 759 HA ASP 92 HA ASP 92 -7.069 9.855 -8.645 760 1HB ASP 92 HB2 ASP 92 -5.400 7.888 -7.143 761 2HB ASP 92 HB1 ASP 92 -7.145 7.808 -6.934 762 H GLY 93 HN GLY 93 -5.341 10.037 -5.577 763 1HA GLY 93 HA2 GLY 93 -6.096 11.984 -4.149 764 2HA GLY 93 HA1 GLY 93 -7.718 11.351 -4.406 765 H ILE 94 HN ILE 94 -5.388 8.902 -4.097 766 HA ILE 94 HA ILE 94 -6.541 7.932 -1.693 767 HB ILE 94 HB ILE 94 -3.849 7.069 -2.715 768 1HG1 ILE 94 HG12 ILE 94 -6.522 6.091 -3.741 769 2HG1 ILE 94 HG11 ILE 94 -5.473 7.204 -4.617 770 1HG2 ILE 94 HG21 ILE 94 -4.689 6.183 -0.562 771 2HG2 ILE 94 HG22 ILE 94 -4.459 4.934 -1.786 772 3HG2 ILE 94 HG23 ILE 94 -6.082 5.517 -1.416 773 1HD1 ILE 94 HD11 ILE 94 -3.727 5.490 -4.682 774 2HD1 ILE 94 HD12 ILE 94 -5.220 4.948 -5.448 775 3HD1 ILE 94 HD13 ILE 94 -4.799 4.377 -3.833 776 H THR 95 HN THR 95 -5.585 7.725 0.380 777 HA THR 95 HA THR 95 -3.391 9.614 0.927 778 HB THR 95 HB THR 95 -4.429 10.367 2.936 779 HG1 THR 95 HG1 THR 95 -6.819 9.022 2.683 780 1HG2 THR 95 HG21 THR 95 -6.051 10.423 0.461 781 2HG2 THR 95 HG22 THR 95 -5.392 11.752 1.414 782 3HG2 THR 95 HG23 THR 95 -6.859 10.929 1.944 783 H LEU 96 HN LEU 96 -2.503 9.188 3.241 784 HA LEU 96 HA LEU 96 -1.346 6.694 3.330 785 1HB LEU 96 HB2 LEU 96 -0.889 8.971 4.588 786 2HB LEU 96 HB1 LEU 96 -1.790 8.198 5.874 787 HG LEU 96 HG LEU 96 0.522 6.774 4.614 788 1HD1 LEU 96 HD11 LEU 96 0.833 9.287 5.681 789 2HD1 LEU 96 HD12 LEU 96 2.088 8.057 5.540 790 3HD1 LEU 96 HD13 LEU 96 1.183 8.224 7.044 791 1HD2 LEU 96 HD21 LEU 96 0.618 6.163 7.188 792 2HD2 LEU 96 HD22 LEU 96 -0.448 5.321 6.063 793 3HD2 LEU 96 HD23 LEU 96 -1.087 6.601 7.095 794 H ILE 97 HN ILE 97 -2.609 6.986 6.453 795 HA ILE 97 HA ILE 97 -4.451 4.766 5.923 796 HB ILE 97 HB ILE 97 -2.326 5.007 7.769 797 1HG1 ILE 97 HG12 ILE 97 -3.009 2.690 8.365 798 2HG1 ILE 97 HG11 ILE 97 -4.500 2.930 7.457 799 1HG2 ILE 97 HG21 ILE 97 -3.412 4.533 9.906 800 2HG2 ILE 97 HG22 ILE 97 -4.988 4.816 9.167 801 3HG2 ILE 97 HG23 ILE 97 -3.829 6.140 9.307 802 1HD1 ILE 97 HD11 ILE 97 -1.759 3.157 6.242 803 2HD1 ILE 97 HD12 ILE 97 -3.310 3.101 5.404 804 3HD1 ILE 97 HD13 ILE 97 -2.713 1.674 6.251 805 H THR 98 HN THR 98 -4.067 7.810 7.643 806 HA THR 98 HA THR 98 -5.559 9.292 8.498 807 HB THR 98 HB THR 98 -8.005 8.165 7.376 808 HG1 THR 98 HG1 THR 98 -7.365 7.874 5.364 809 1HG2 THR 98 HG21 THR 98 -6.848 10.675 7.918 810 2HG2 THR 98 HG22 THR 98 -8.459 10.343 7.279 811 3HG2 THR 98 HG23 THR 98 -7.110 10.610 6.175 812 H LYS 99 HN LYS 99 -6.285 9.376 10.499 813 HA LYS 99 HA LYS 99 -6.746 7.278 12.177 814 1HB LYS 99 HB2 LYS 99 -8.218 9.023 13.462 815 2HB LYS 99 HB1 LYS 99 -6.491 9.287 13.278 816 1HG LYS 99 HG2 LYS 99 -6.788 11.128 12.052 817 2HG LYS 99 HG1 LYS 99 -8.081 10.399 11.098 818 1HD LYS 99 HD2 LYS 99 -9.316 11.960 12.193 819 2HD LYS 99 HD1 LYS 99 -9.388 10.680 13.406 820 1HE LYS 99 HE2 LYS 99 -7.144 11.839 14.213 821 2HE LYS 99 HE1 LYS 99 -7.869 13.234 13.415 822 1HZ LYS 99 HZ1 LYS 99 -9.933 12.580 14.796 823 2HZ LYS 99 HZ2 LYS 99 -8.665 13.405 15.554 824 3HZ LYS 99 HZ3 LYS 99 -8.829 11.734 15.760 825 H GLU 100 HN GLU 100 -9.316 9.206 10.621 826 HA GLU 100 HA GLU 100 -11.499 7.780 11.541 827 1HB GLU 100 HB2 GLU 100 -11.689 9.905 10.348 828 2HB GLU 100 HB1 GLU 100 -11.163 9.134 8.859 829 1HG GLU 100 HG2 GLU 100 -13.160 8.044 8.555 830 2HG GLU 100 HG1 GLU 100 -13.564 8.081 10.270 831 H GLU 101 HN GLU 101 -9.268 6.990 8.973 832 HA GLU 101 HA GLU 101 -10.855 4.595 8.340 833 1HB GLU 101 HB2 GLU 101 -10.161 6.289 6.516 834 2HB GLU 101 HB1 GLU 101 -8.549 5.607 6.695 835 1HG GLU 101 HG2 GLU 101 -9.130 4.067 5.219 836 2HG GLU 101 HG1 GLU 101 -10.221 3.403 6.438 837 H ALA 102 HN ALA 102 -9.364 4.655 10.707 838 HA ALA 102 HA ALA 102 -7.157 2.806 10.080 839 1HB ALA 102 HB1 ALA 102 -6.190 4.725 11.060 840 2HB ALA 102 HB2 ALA 102 -6.237 3.503 12.330 841 3HB ALA 102 HB3 ALA 102 -7.429 4.802 12.312 842 H SER 103 HN SER 103 -8.092 3.237 13.366 843 HA SER 103 HA SER 103 -9.691 0.775 13.313 844 1HB SER 103 HB2 SER 103 -8.483 -0.052 15.311 845 2HB SER 103 HB1 SER 103 -7.421 0.102 13.912 846 HG SER 103 HG SER 103 -7.673 1.982 16.025 847 H GLY 104 HN GLY 104 -9.309 3.938 14.339 848 1HA GLY 104 HA2 GLY 104 -11.733 4.314 15.483 849 2HA GLY 104 HA1 GLY 104 -10.764 3.717 16.824 850 H SER 105 HN SER 105 -10.441 6.087 14.176 851 HA SER 105 HA SER 105 -9.541 8.175 14.119 852 1HB SER 105 HB2 SER 105 -11.606 8.267 15.806 853 2HB SER 105 HB1 SER 105 -10.327 8.685 16.948 854 HG SER 105 HG SER 105 -11.430 10.432 15.651 855 H SER 106 HN SER 106 -7.610 6.310 14.656 856 HA SER 106 HA SER 106 -5.926 7.673 16.652 857 1HB SER 106 HB2 SER 106 -5.866 4.748 15.875 858 2HB SER 106 HB1 SER 106 -4.794 5.525 17.040 859 HG SER 106 HG SER 106 -6.529 4.507 18.091 860 H VAL 107 HN VAL 107 -4.961 9.061 15.238 861 HA VAL 107 HA VAL 107 -2.660 8.238 13.871 862 HB VAL 107 HB VAL 107 -5.046 8.672 12.100 863 1HG1 VAL 107 HG11 VAL 107 -3.490 9.054 10.200 864 2HG1 VAL 107 HG12 VAL 107 -2.181 9.252 11.364 865 3HG1 VAL 107 HG13 VAL 107 -3.532 10.388 11.354 866 1HG2 VAL 107 HG21 VAL 107 -3.049 6.595 12.567 867 2HG2 VAL 107 HG22 VAL 107 -3.331 6.946 10.862 868 3HG2 VAL 107 HG23 VAL 107 -4.676 6.473 11.900 869 H THR 108 HN THR 108 -1.379 10.004 13.251 870 HA THR 108 HA THR 108 -2.161 12.496 14.473 871 HB THR 108 HB THR 108 0.160 11.480 14.607 872 HG1 THR 108 HG1 THR 108 -0.208 13.644 15.205 873 1HG2 THR 108 HG21 THR 108 0.495 12.730 11.883 874 2HG2 THR 108 HG22 THR 108 0.305 10.996 12.147 875 3HG2 THR 108 HG23 THR 108 1.700 11.843 12.817 876 H ALA 109 HN ALA 109 -2.225 14.525 13.454 877 HA ALA 109 HA ALA 109 -3.501 14.577 10.928 878 1HB ALA 109 HB1 ALA 109 -3.285 17.053 11.145 879 2HB ALA 109 HB2 ALA 109 -2.334 16.793 12.608 880 3HB ALA 109 HB3 ALA 109 -4.016 16.269 12.545 881 H GLU 110 HN GLU 110 -0.276 14.334 11.779 882 HA GLU 110 HA GLU 110 0.803 15.761 9.489 883 1HB GLU 110 HB2 GLU 110 1.977 14.345 11.850 884 2HB GLU 110 HB1 GLU 110 2.975 14.606 10.426 885 1HG GLU 110 HG2 GLU 110 2.664 16.988 10.589 886 2HG GLU 110 HG1 GLU 110 1.537 16.780 11.929 887 H GLU 111 HN GLU 111 -0.348 12.680 10.265 888 HA GLU 111 HA GLU 111 1.267 11.255 8.325 889 1HB GLU 111 HB2 GLU 111 0.830 9.840 10.084 890 2HB GLU 111 HB1 GLU 111 -0.768 10.518 10.374 891 1HG GLU 111 HG2 GLU 111 -1.772 9.188 8.811 892 2HG GLU 111 HG1 GLU 111 -0.294 8.975 7.877 893 H ALA 112 HN ALA 112 -2.112 12.272 8.704 894 HA ALA 112 HA ALA 112 -2.788 11.223 6.091 895 1HB ALA 112 HB1 ALA 112 -5.069 12.158 6.664 896 2HB ALA 112 HB2 ALA 112 -4.396 12.545 8.247 897 3HB ALA 112 HB3 ALA 112 -4.454 10.869 7.699 898 H LYS 113 HN LYS 113 -2.488 14.427 7.600 899 HA LYS 113 HA LYS 113 -3.312 15.721 5.139 900 1HB LYS 113 HB2 LYS 113 -2.326 17.003 7.682 901 2HB LYS 113 HB1 LYS 113 -3.188 17.788 6.367 902 1HG LYS 113 HG2 LYS 113 -5.069 16.111 6.883 903 2HG LYS 113 HG1 LYS 113 -4.222 15.866 8.411 904 1HD LYS 113 HD2 LYS 113 -4.682 17.981 9.162 905 2HD LYS 113 HD1 LYS 113 -4.775 18.655 7.534 906 1HE LYS 113 HE2 LYS 113 -6.931 17.661 7.184 907 2HE LYS 113 HE1 LYS 113 -6.823 16.780 8.707 908 1HZ LYS 113 HZ1 LYS 113 -8.223 18.718 8.939 909 2HZ LYS 113 HZ2 LYS 113 -6.978 19.731 8.407 910 3HZ LYS 113 HZ3 LYS 113 -6.827 18.908 9.877 911 H LYS 114 HN LYS 114 -0.315 15.518 7.063 912 HA LYS 114 HA LYS 114 1.135 17.309 5.417 913 1HB LYS 114 HB2 LYS 114 1.582 16.133 7.832 914 2HB LYS 114 HB1 LYS 114 2.703 15.250 6.805 915 1HG LYS 114 HG2 LYS 114 2.637 18.221 6.644 916 2HG LYS 114 HG1 LYS 114 3.431 17.449 8.018 917 1HD LYS 114 HD2 LYS 114 4.791 16.123 6.420 918 2HD LYS 114 HD1 LYS 114 4.058 17.032 5.097 919 1HE LYS 114 HE2 LYS 114 6.264 17.917 5.724 920 2HE LYS 114 HE1 LYS 114 4.978 19.097 5.966 921 1HZ LYS 114 HZ1 LYS 114 5.001 18.654 8.306 922 2HZ LYS 114 HZ2 LYS 114 6.581 18.999 7.816 923 3HZ LYS 114 HZ3 LYS 114 6.122 17.400 8.117 924 H PHE 115 HN PHE 115 0.806 13.786 5.376 925 HA PHE 115 HA PHE 115 2.812 13.172 3.567 926 1HB PHE 115 HB2 PHE 115 0.637 11.833 4.782 927 2HB PHE 115 HB1 PHE 115 0.552 11.490 3.056 928 HD1 PHE 115 HD1 PHE 115 1.699 9.672 2.289 929 HD2 PHE 115 HD2 PHE 115 3.103 11.661 5.777 930 HE1 PHE 115 HE1 PHE 115 3.472 7.986 2.530 931 HE2 PHE 115 HE2 PHE 115 4.879 9.977 6.028 932 HZ PHE 115 HZ PHE 115 5.064 8.136 4.403 933 H LEU 116 HN LEU 116 -0.502 14.240 2.917 934 HA LEU 116 HA LEU 116 0.038 14.155 0.035 935 1HB LEU 116 HB2 LEU 116 -2.486 14.529 1.635 936 2HB LEU 116 HB1 LEU 116 -2.423 14.762 -0.102 937 HG LEU 116 HG LEU 116 -1.359 12.298 0.040 938 1HD1 LEU 116 HD11 LEU 116 -2.319 10.968 1.718 939 2HD1 LEU 116 HD12 LEU 116 -3.425 12.247 2.218 940 3HD1 LEU 116 HD13 LEU 116 -1.701 12.389 2.559 941 1HD2 LEU 116 HD21 LEU 116 -4.114 13.340 -0.287 942 2HD2 LEU 116 HD22 LEU 116 -3.919 11.595 -0.127 943 3HD2 LEU 116 HD23 LEU 116 -3.092 12.460 -1.422 944 H ALA 117 HN ALA 117 1.056 16.203 2.075 945 HA ALA 117 HA ALA 117 0.096 18.585 0.629 946 1HB ALA 117 HB1 ALA 117 -0.679 18.658 2.920 947 2HB ALA 117 HB2 ALA 117 0.561 19.887 2.672 948 3HB ALA 117 HB3 ALA 117 0.960 18.390 3.513 949 HA PRO 118 HA PRO 118 4.329 19.168 -0.540 950 1HB PRO 118 HB2 PRO 118 4.304 21.793 -1.165 951 2HB PRO 118 HB1 PRO 118 3.495 20.580 -2.163 952 1HG PRO 118 HG2 PRO 118 2.332 22.430 -0.116 953 2HG PRO 118 HG1 PRO 118 1.712 22.007 -1.723 954 1HD PRO 118 HD2 PRO 118 0.776 20.885 0.572 955 2HD PRO 118 HD1 PRO 118 0.794 20.033 -0.985 956 H LYS 119 HN LYS 119 6.059 21.093 -0.199 957 HA LYS 119 HA LYS 119 5.975 22.129 2.516 958 1HB LYS 119 HB2 LYS 119 7.014 19.712 2.365 959 2HB LYS 119 HB1 LYS 119 8.422 20.582 1.769 960 1HG LYS 119 HG2 LYS 119 8.439 21.935 3.813 961 2HG LYS 119 HG1 LYS 119 7.050 21.027 4.412 962 1HD LYS 119 HD2 LYS 119 8.426 18.948 4.210 963 2HD LYS 119 HD1 LYS 119 9.812 19.971 3.828 964 1HE LYS 119 HE2 LYS 119 9.580 21.099 5.981 965 2HE LYS 119 HE1 LYS 119 8.179 20.098 6.362 966 1HZ LYS 119 HZ1 LYS 119 10.990 19.212 6.040 967 2HZ LYS 119 HZ2 LYS 119 9.687 18.139 6.132 968 3HZ LYS 119 HZ3 LYS 119 10.043 19.150 7.440 969 H ASP 120 HN ASP 120 6.867 24.086 2.607 970 HA ASP 120 HA ASP 120 8.315 25.060 0.268 971 1HB ASP 120 HB2 ASP 120 8.030 27.300 1.431 972 2HB ASP 120 HB1 ASP 120 6.544 26.501 0.928 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -8.760 -17.995 -15.148 2 2H GLY 1 HT2 GLY 1 -8.081 -19.263 -14.258 3 3H GLY 1 HT3 GLY 1 -8.585 -19.524 -15.851 4 1HA GLY 1 HA1 GLY 1 -6.223 -19.353 -15.866 5 2HA GLY 1 HA2 GLY 1 -6.902 -17.924 -16.630 6 HA PRO 2 HA PRO 2 -4.739 -15.317 -13.818 7 1HB PRO 2 HB2 PRO 2 -6.540 -13.416 -13.113 8 2HB PRO 2 HB1 PRO 2 -5.820 -13.502 -14.725 9 1HG PRO 2 HG2 PRO 2 -8.494 -14.471 -13.791 10 2HG PRO 2 HG1 PRO 2 -8.077 -13.601 -15.279 11 1HD PRO 2 HD2 PRO 2 -8.469 -16.279 -15.219 12 2HD PRO 2 HD1 PRO 2 -7.320 -15.508 -16.332 13 H VAL 3 HN VAL 3 -4.379 -14.801 -11.634 14 HA VAL 3 HA VAL 3 -6.206 -16.124 -9.735 15 HB VAL 3 HB VAL 3 -4.121 -16.341 -8.275 16 1HG1 VAL 3 HG11 VAL 3 -4.371 -17.920 -10.830 17 2HG1 VAL 3 HG12 VAL 3 -5.149 -18.267 -9.286 18 3HG1 VAL 3 HG13 VAL 3 -3.398 -18.407 -9.443 19 1HG2 VAL 3 HG21 VAL 3 -1.980 -16.416 -9.456 20 2HG2 VAL 3 HG22 VAL 3 -2.695 -14.806 -9.529 21 3HG2 VAL 3 HG23 VAL 3 -2.773 -15.870 -10.933 22 H ASN 4 HN ASN 4 -4.086 -13.388 -10.335 23 HA ASN 4 HA ASN 4 -4.013 -11.288 -9.477 24 1HB ASN 4 HB2 ASN 4 -6.614 -11.720 -9.642 25 2HB ASN 4 HB1 ASN 4 -6.506 -11.704 -7.881 26 1HD2 ASN 4 HD21 ASN 4 -5.662 -9.808 -6.860 27 2HD2 ASN 4 HD22 ASN 4 -5.817 -8.269 -7.630 28 HA PRO 5 HA PRO 5 -1.834 -12.265 -5.688 29 1HB PRO 5 HB2 PRO 5 -1.510 -9.317 -5.588 30 2HB PRO 5 HB1 PRO 5 -0.284 -10.587 -5.524 31 1HG PRO 5 HG2 PRO 5 -0.606 -9.109 -7.720 32 2HG PRO 5 HG1 PRO 5 -0.237 -10.842 -7.828 33 1HD PRO 5 HD2 PRO 5 -2.846 -9.430 -8.215 34 2HD PRO 5 HD1 PRO 5 -2.164 -10.805 -9.108 35 H ALA 6 HN ALA 6 -4.138 -9.577 -5.903 36 HA ALA 6 HA ALA 6 -4.530 -9.300 -3.109 37 1HB ALA 6 HB1 ALA 6 -5.536 -7.460 -3.832 38 2HB ALA 6 HB2 ALA 6 -6.864 -8.447 -4.445 39 3HB ALA 6 HB3 ALA 6 -5.498 -8.060 -5.490 40 H GLU 7 HN GLU 7 -6.198 -11.166 -5.611 41 HA GLU 7 HA GLU 7 -8.321 -12.052 -3.956 42 1HB GLU 7 HB2 GLU 7 -7.848 -12.141 -6.616 43 2HB GLU 7 HB1 GLU 7 -7.459 -13.800 -6.181 44 1HG GLU 7 HG2 GLU 7 -9.655 -14.094 -5.212 45 2HG GLU 7 HG1 GLU 7 -10.049 -12.407 -5.538 46 H ASN 8 HN ASN 8 -5.323 -13.655 -5.025 47 HA ASN 8 HA ASN 8 -5.653 -16.062 -3.680 48 1HB ASN 8 HB2 ASN 8 -3.683 -14.929 -5.247 49 2HB ASN 8 HB1 ASN 8 -2.885 -15.114 -3.688 50 1HD2 ASN 8 HD21 ASN 8 -2.274 -17.091 -3.026 51 2HD2 ASN 8 HD22 ASN 8 -2.529 -18.544 -3.924 52 H PHE 9 HN PHE 9 -4.397 -12.984 -2.522 53 HA PHE 9 HA PHE 9 -3.519 -13.973 0.002 54 1HB PHE 9 HB2 PHE 9 -2.458 -11.995 -0.376 55 2HB PHE 9 HB1 PHE 9 -3.793 -11.335 -1.310 56 HD1 PHE 9 HD1 PHE 9 -2.788 -12.136 2.180 57 HD2 PHE 9 HD2 PHE 9 -5.147 -9.701 -0.391 58 HE1 PHE 9 HE1 PHE 9 -3.430 -10.739 4.100 59 HE2 PHE 9 HE2 PHE 9 -5.793 -8.298 1.525 60 HZ PHE 9 HZ PHE 9 -4.934 -8.817 3.774 61 H ARG 10 HN ARG 10 -6.428 -12.288 -1.108 62 HA ARG 10 HA ARG 10 -7.703 -12.014 1.359 63 1HB ARG 10 HB2 ARG 10 -8.600 -12.060 -1.482 64 2HB ARG 10 HB1 ARG 10 -9.826 -12.188 -0.228 65 1HG ARG 10 HG2 ARG 10 -9.094 -10.090 0.740 66 2HG ARG 10 HG1 ARG 10 -7.799 -9.971 -0.452 67 1HD ARG 10 HD2 ARG 10 -10.714 -10.132 -1.190 68 2HD ARG 10 HD1 ARG 10 -9.866 -8.606 -0.932 69 HE ARG 10 HE ARG 10 -8.297 -9.612 -2.750 70 1HH1 ARG 10 HH11 ARG 10 -11.768 -9.874 -2.598 71 2HH1 ARG 10 HH12 ARG 10 -11.964 -9.981 -4.315 72 1HH2 ARG 10 HH21 ARG 10 -8.547 -9.749 -5.013 73 2HH2 ARG 10 HH22 ARG 10 -10.134 -9.909 -5.688 74 H VAL 11 HN VAL 11 -7.745 -14.706 -0.949 75 HA VAL 11 HA VAL 11 -9.703 -16.190 0.523 76 HB VAL 11 HB VAL 11 -9.046 -18.095 -0.956 77 1HG1 VAL 11 HG11 VAL 11 -9.660 -15.493 -2.350 78 2HG1 VAL 11 HG12 VAL 11 -10.834 -16.555 -1.573 79 3HG1 VAL 11 HG13 VAL 11 -9.953 -17.107 -2.996 80 1HG2 VAL 11 HG21 VAL 11 -7.609 -17.344 -2.959 81 2HG2 VAL 11 HG22 VAL 11 -6.795 -17.790 -1.458 82 3HG2 VAL 11 HG23 VAL 11 -7.017 -16.089 -1.869 83 H LEU 12 HN LEU 12 -6.169 -16.380 0.208 84 HA LEU 12 HA LEU 12 -5.711 -18.656 1.715 85 1HB LEU 12 HB2 LEU 12 -4.166 -16.420 0.752 86 2HB LEU 12 HB1 LEU 12 -3.637 -16.876 2.363 87 HG LEU 12 HG LEU 12 -3.910 -19.269 0.864 88 1HD1 LEU 12 HD11 LEU 12 -2.384 -17.106 -0.576 89 2HD1 LEU 12 HD12 LEU 12 -3.787 -17.994 -1.171 90 3HD1 LEU 12 HD13 LEU 12 -2.255 -18.830 -0.923 91 1HD2 LEU 12 HD21 LEU 12 -1.335 -17.883 1.538 92 2HD2 LEU 12 HD22 LEU 12 -1.683 -19.612 1.498 93 3HD2 LEU 12 HD23 LEU 12 -2.358 -18.606 2.779 94 H VAL 13 HN VAL 13 -6.456 -15.405 2.764 95 HA VAL 13 HA VAL 13 -6.012 -16.132 5.567 96 HB VAL 13 HB VAL 13 -6.444 -13.777 6.085 97 1HG1 VAL 13 HG11 VAL 13 -4.214 -13.861 5.798 98 2HG1 VAL 13 HG12 VAL 13 -4.558 -12.910 4.352 99 3HG1 VAL 13 HG13 VAL 13 -4.341 -14.656 4.229 100 1HG2 VAL 13 HG21 VAL 13 -7.073 -13.622 3.155 101 2HG2 VAL 13 HG22 VAL 13 -6.555 -12.200 4.061 102 3HG2 VAL 13 HG23 VAL 13 -8.026 -13.054 4.526 103 H LYS 14 HN LYS 14 -8.471 -16.138 3.289 104 HA LYS 14 HA LYS 14 -10.677 -15.392 4.914 105 1HB LYS 14 HB2 LYS 14 -10.284 -15.902 2.233 106 2HB LYS 14 HB1 LYS 14 -11.286 -17.251 2.748 107 1HG LYS 14 HG2 LYS 14 -12.902 -15.637 3.695 108 2HG LYS 14 HG1 LYS 14 -11.918 -14.324 3.047 109 1HD LYS 14 HD2 LYS 14 -12.186 -15.626 0.796 110 2HD LYS 14 HD1 LYS 14 -13.581 -16.344 1.605 111 1HE LYS 14 HE2 LYS 14 -14.524 -14.144 1.991 112 2HE LYS 14 HE1 LYS 14 -13.102 -13.384 1.280 113 1HZ LYS 14 HZ1 LYS 14 -14.995 -13.515 -0.259 114 2HZ LYS 14 HZ2 LYS 14 -14.945 -15.203 -0.175 115 3HZ LYS 14 HZ3 LYS 14 -13.642 -14.350 -0.836 116 H GLN 15 HN GLN 15 -8.987 -18.435 4.407 117 HA GLN 15 HA GLN 15 -11.067 -19.790 5.991 118 1HB GLN 15 HB2 GLN 15 -9.569 -21.846 5.185 119 2HB GLN 15 HB1 GLN 15 -10.865 -21.175 4.198 120 1HG GLN 15 HG2 GLN 15 -9.064 -19.699 3.151 121 2HG GLN 15 HG1 GLN 15 -7.905 -20.781 3.923 122 1HE2 GLN 15 HE21 GLN 15 -10.315 -20.445 1.456 123 2HE2 GLN 15 HE22 GLN 15 -9.969 -21.920 0.625 124 H LYS 16 HN LYS 16 -7.510 -19.665 5.672 125 HA LYS 16 HA LYS 16 -6.709 -19.153 8.176 126 1HB LYS 16 HB2 LYS 16 -7.954 -20.839 9.255 127 2HB LYS 16 HB1 LYS 16 -7.610 -22.022 8.003 128 1HG LYS 16 HG2 LYS 16 -6.393 -22.632 9.947 129 2HG LYS 16 HG1 LYS 16 -5.236 -22.026 8.760 130 1HD LYS 16 HD2 LYS 16 -4.507 -20.539 10.244 131 2HD LYS 16 HD1 LYS 16 -6.117 -19.819 10.303 132 1HE LYS 16 HE2 LYS 16 -6.660 -21.759 11.928 133 2HE LYS 16 HE1 LYS 16 -4.910 -21.900 12.085 134 1HZ LYS 16 HZ1 LYS 16 -5.841 -20.478 13.800 135 2HZ LYS 16 HZ2 LYS 16 -6.501 -19.451 12.629 136 3HZ LYS 16 HZ3 LYS 16 -4.822 -19.589 12.782 137 H LYS 17 HN LYS 17 -6.381 -20.945 5.300 138 HA LYS 17 HA LYS 17 -4.244 -22.295 4.988 139 1HB LYS 17 HB2 LYS 17 -5.248 -20.044 3.442 140 2HB LYS 17 HB1 LYS 17 -3.534 -20.333 3.181 141 1HG LYS 17 HG2 LYS 17 -4.986 -22.812 3.132 142 2HG LYS 17 HG1 LYS 17 -5.685 -21.657 1.996 143 1HD LYS 17 HD2 LYS 17 -3.983 -21.923 0.587 144 2HD LYS 17 HD1 LYS 17 -2.811 -21.586 1.863 145 1HE LYS 17 HE2 LYS 17 -2.608 -23.841 0.751 146 2HE LYS 17 HE1 LYS 17 -2.720 -23.859 2.510 147 1HZ LYS 17 HZ1 LYS 17 -4.819 -24.735 2.459 148 2HZ LYS 17 HZ2 LYS 17 -4.159 -25.467 1.084 149 3HZ LYS 17 HZ3 LYS 17 -5.177 -24.125 0.922 150 H ALA 18 HN ALA 18 -3.672 -18.783 5.145 151 HA ALA 18 HA ALA 18 -1.259 -19.300 6.735 152 1HB ALA 18 HB1 ALA 18 -1.347 -17.522 4.298 153 2HB ALA 18 HB2 ALA 18 -0.521 -19.076 4.419 154 3HB ALA 18 HB3 ALA 18 0.025 -17.709 5.390 155 H SER 19 HN SER 19 -0.434 -17.292 7.799 156 HA SER 19 HA SER 19 -2.688 -15.757 8.787 157 1HB SER 19 HB2 SER 19 0.215 -15.890 9.628 158 2HB SER 19 HB1 SER 19 -0.981 -14.843 10.396 159 HG SER 19 HG SER 19 -0.545 -17.073 11.289 160 H PHE 20 HN PHE 20 -2.200 -13.356 9.236 161 HA PHE 20 HA PHE 20 -2.038 -12.001 6.813 162 1HB PHE 20 HB2 PHE 20 -2.809 -11.307 9.300 163 2HB PHE 20 HB1 PHE 20 -1.248 -10.495 9.239 164 HD1 PHE 20 HD1 PHE 20 -4.522 -10.785 7.545 165 HD2 PHE 20 HD2 PHE 20 -0.967 -8.499 8.038 166 HE1 PHE 20 HE1 PHE 20 -5.542 -8.935 6.284 167 HE2 PHE 20 HE2 PHE 20 -1.980 -6.644 6.779 168 HZ PHE 20 HZ PHE 20 -4.270 -6.860 5.900 169 H GLU 21 HN GLU 21 0.445 -12.395 9.327 170 HA GLU 21 HA GLU 21 2.459 -10.840 8.355 171 1HB GLU 21 HB2 GLU 21 2.273 -12.594 10.375 172 2HB GLU 21 HB1 GLU 21 3.281 -13.532 9.282 173 1HG GLU 21 HG2 GLU 21 4.901 -11.712 9.202 174 2HG GLU 21 HG1 GLU 21 3.885 -10.757 10.282 175 H GLU 22 HN GLU 22 2.286 -14.343 7.631 176 HA GLU 22 HA GLU 22 4.277 -14.405 5.718 177 1HB GLU 22 HB2 GLU 22 2.121 -16.146 6.580 178 2HB GLU 22 HB1 GLU 22 2.426 -16.298 4.855 179 1HG GLU 22 HG2 GLU 22 4.824 -16.677 5.369 180 2HG GLU 22 HG1 GLU 22 4.412 -16.671 7.085 181 H ALA 23 HN ALA 23 0.778 -14.023 5.167 182 HA ALA 23 HA ALA 23 0.927 -13.803 2.367 183 1HB ALA 23 HB1 ALA 23 -1.203 -12.366 3.873 184 2HB ALA 23 HB2 ALA 23 -1.109 -14.123 3.997 185 3HB ALA 23 HB3 ALA 23 -1.320 -13.360 2.421 186 H SER 24 HN SER 24 1.364 -11.476 4.929 187 HA SER 24 HA SER 24 1.135 -9.130 3.357 188 1HB SER 24 HB2 SER 24 2.454 -9.700 6.012 189 2HB SER 24 HB1 SER 24 2.469 -8.097 5.278 190 HG SER 24 HG SER 24 0.010 -8.722 5.141 191 H ASN 25 HN ASN 25 3.973 -10.875 4.608 192 HA ASN 25 HA ASN 25 5.948 -9.394 3.358 193 1HB ASN 25 HB2 ASN 25 5.740 -12.133 4.451 194 2HB ASN 25 HB1 ASN 25 7.037 -11.882 3.286 195 1HD2 ASN 25 HD21 ASN 25 5.854 -11.193 6.443 196 2HD2 ASN 25 HD22 ASN 25 7.255 -10.363 7.022 197 H GLN 26 HN GLN 26 4.149 -12.200 2.137 198 HA GLN 26 HA GLN 26 5.468 -12.440 -0.322 199 1HB GLN 26 HB2 GLN 26 2.764 -13.239 0.686 200 2HB GLN 26 HB1 GLN 26 3.129 -13.406 -1.026 201 1HG GLN 26 HG2 GLN 26 4.963 -14.547 1.041 202 2HG GLN 26 HG1 GLN 26 3.506 -15.412 0.543 203 1HE2 GLN 26 HE21 GLN 26 6.724 -14.641 -0.207 204 2HE2 GLN 26 HE22 GLN 26 6.805 -15.419 -1.747 205 H LEU 27 HN LEU 27 2.499 -10.664 0.507 206 HA LEU 27 HA LEU 27 1.922 -9.659 -2.020 207 1HB LEU 27 HB2 LEU 27 0.990 -9.277 0.630 208 2HB LEU 27 HB1 LEU 27 1.287 -7.686 -0.050 209 HG LEU 27 HG LEU 27 -0.437 -9.793 -1.353 210 1HD1 LEU 27 HD11 LEU 27 -2.229 -9.055 -0.238 211 2HD1 LEU 27 HD12 LEU 27 -1.709 -7.372 -0.321 212 3HD1 LEU 27 HD13 LEU 27 -1.060 -8.436 0.928 213 1HD2 LEU 27 HD21 LEU 27 0.458 -8.282 -2.979 214 2HD2 LEU 27 HD22 LEU 27 0.073 -6.888 -1.969 215 3HD2 LEU 27 HD23 LEU 27 -1.225 -7.842 -2.689 216 H ILE 28 HN ILE 28 3.889 -8.191 0.572 217 HA ILE 28 HA ILE 28 4.520 -5.843 -0.831 218 HB ILE 28 HB ILE 28 4.985 -6.752 1.708 219 1HG1 ILE 28 HG12 ILE 28 6.384 -4.571 1.872 220 2HG1 ILE 28 HG11 ILE 28 5.986 -4.379 0.164 221 1HG2 ILE 28 HG21 ILE 28 7.324 -6.831 2.147 222 2HG2 ILE 28 HG22 ILE 28 7.711 -6.432 0.474 223 3HG2 ILE 28 HG23 ILE 28 6.988 -7.993 0.863 224 1HD1 ILE 28 HD11 ILE 28 4.491 -3.462 2.239 225 2HD1 ILE 28 HD12 ILE 28 3.687 -4.986 1.862 226 3HD1 ILE 28 HD13 ILE 28 3.889 -3.761 0.608 227 H ASN 29 HN ASN 29 5.998 -9.033 -0.798 228 HA ASN 29 HA ASN 29 8.383 -8.342 -2.143 229 1HB ASN 29 HB2 ASN 29 7.053 -10.765 -1.269 230 2HB ASN 29 HB1 ASN 29 7.772 -10.980 -2.862 231 1HD2 ASN 29 HD21 ASN 29 8.500 -9.764 0.378 232 2HD2 ASN 29 HD22 ASN 29 10.157 -10.252 0.379 233 H HIS 30 HN HIS 30 5.253 -9.555 -3.277 234 HA HIS 30 HA HIS 30 5.876 -9.727 -6.001 235 1HB HIS 30 HB2 HIS 30 3.413 -9.621 -4.374 236 2HB HIS 30 HB1 HIS 30 3.229 -9.080 -6.043 237 HD1 HIS 30 HD1 HIS 30 4.872 -12.066 -4.323 238 HD2 HIS 30 HD2 HIS 30 2.544 -11.138 -7.639 239 HE1 HIS 30 HE1 HIS 30 4.435 -14.258 -5.473 240 HE2 HIS 30 HE2 HIS 30 2.950 -13.683 -7.426 241 H ILE 31 HN ILE 31 4.552 -7.072 -4.072 242 HA ILE 31 HA ILE 31 4.175 -5.223 -6.136 243 HB ILE 31 HB ILE 31 4.905 -4.714 -3.247 244 1HG1 ILE 31 HG12 ILE 31 2.203 -4.472 -4.573 245 2HG1 ILE 31 HG11 ILE 31 2.749 -5.962 -3.804 246 1HG2 ILE 31 HG21 ILE 31 5.449 -2.736 -4.434 247 2HG2 ILE 31 HG22 ILE 31 3.875 -2.456 -3.689 248 3HG2 ILE 31 HG23 ILE 31 3.982 -2.835 -5.408 249 1HD1 ILE 31 HD11 ILE 31 1.881 -3.410 -2.604 250 2HD1 ILE 31 HD12 ILE 31 3.197 -4.264 -1.798 251 3HD1 ILE 31 HD13 ILE 31 1.648 -5.070 -2.051 252 H GLU 32 HN GLU 32 6.975 -5.655 -3.974 253 HA GLU 32 HA GLU 32 8.626 -3.698 -5.022 254 1HB GLU 32 HB2 GLU 32 9.221 -6.357 -3.745 255 2HB GLU 32 HB1 GLU 32 10.514 -5.289 -4.275 256 1HG GLU 32 HG2 GLU 32 9.444 -3.503 -2.840 257 2HG GLU 32 HG1 GLU 32 8.444 -4.789 -2.159 258 H GLN 33 HN GLN 33 8.044 -6.979 -6.168 259 HA GLN 33 HA GLN 33 10.078 -7.004 -8.139 260 1HB GLN 33 HB2 GLN 33 7.590 -8.607 -7.657 261 2HB GLN 33 HB1 GLN 33 8.469 -8.797 -9.168 262 1HG GLN 33 HG2 GLN 33 10.433 -9.513 -8.021 263 2HG GLN 33 HG1 GLN 33 9.727 -9.114 -6.456 264 1HE2 GLN 33 HE21 GLN 33 8.444 -10.563 -5.453 265 2HE2 GLN 33 HE22 GLN 33 8.066 -12.128 -6.080 266 H PHE 34 HN PHE 34 6.607 -6.281 -8.274 267 HA PHE 34 HA PHE 34 6.382 -5.767 -10.995 268 1HB PHE 34 HB2 PHE 34 4.884 -4.847 -8.576 269 2HB PHE 34 HB1 PHE 34 4.540 -4.086 -10.125 270 HD1 PHE 34 HD1 PHE 34 4.211 -5.850 -12.107 271 HD2 PHE 34 HD2 PHE 34 3.593 -6.634 -7.971 272 HE1 PHE 34 HE1 PHE 34 2.711 -7.712 -12.689 273 HE2 PHE 34 HE2 PHE 34 2.093 -8.499 -8.545 274 HZ PHE 34 HZ PHE 34 1.650 -9.040 -10.906 275 H LEU 35 HN LEU 35 7.738 -3.832 -8.442 276 HA LEU 35 HA LEU 35 7.685 -1.313 -9.678 277 1HB LEU 35 HB2 LEU 35 9.102 -2.566 -7.442 278 2HB LEU 35 HB1 LEU 35 10.020 -1.293 -8.228 279 HG LEU 35 HG LEU 35 7.186 -0.797 -7.391 280 1HD1 LEU 35 HD11 LEU 35 8.584 -1.764 -5.485 281 2HD1 LEU 35 HD12 LEU 35 7.793 -0.212 -5.212 282 3HD1 LEU 35 HD13 LEU 35 9.516 -0.271 -5.578 283 1HD2 LEU 35 HD21 LEU 35 8.518 0.774 -8.858 284 2HD2 LEU 35 HD22 LEU 35 9.548 1.062 -7.456 285 3HD2 LEU 35 HD23 LEU 35 7.835 1.473 -7.391 286 H ASP 36 HN ASP 36 10.193 -3.830 -9.693 287 HA ASP 36 HA ASP 36 12.139 -2.635 -11.199 288 1HB ASP 36 HB2 ASP 36 12.174 -4.955 -10.182 289 2HB ASP 36 HB1 ASP 36 11.297 -5.507 -11.605 290 H THR 37 HN THR 37 8.994 -3.551 -12.227 291 HA THR 37 HA THR 37 9.706 -3.306 -15.054 292 HB THR 37 HB THR 37 6.914 -3.757 -14.734 293 HG1 THR 37 HG1 THR 37 6.794 -5.329 -13.272 294 1HG2 THR 37 HG21 THR 37 7.292 -5.524 -16.174 295 2HG2 THR 37 HG22 THR 37 8.849 -5.923 -15.446 296 3HG2 THR 37 HG23 THR 37 8.700 -4.511 -16.493 297 H ASN 38 HN ASN 38 9.872 -1.203 -15.526 298 HA ASN 38 HA ASN 38 8.136 0.792 -14.408 299 1HB ASN 38 HB2 ASN 38 10.609 1.026 -15.199 300 2HB ASN 38 HB1 ASN 38 9.895 1.271 -16.791 301 1HD2 ASN 38 HD21 ASN 38 9.904 2.458 -13.477 302 2HD2 ASN 38 HD22 ASN 38 9.471 4.085 -13.866 303 H GLU 39 HN GLU 39 6.386 -0.871 -15.455 304 HA GLU 39 HA GLU 39 5.560 0.339 -18.009 305 1HB GLU 39 HB2 GLU 39 5.059 -2.414 -16.883 306 2HB GLU 39 HB1 GLU 39 4.160 -1.768 -18.250 307 1HG GLU 39 HG2 GLU 39 7.152 -1.886 -18.262 308 2HG GLU 39 HG1 GLU 39 6.169 -3.273 -18.725 309 H THR 40 HN THR 40 3.556 1.225 -18.176 310 HA THR 40 HA THR 40 2.264 2.166 -15.897 311 HB THR 40 HB THR 40 0.797 1.820 -18.496 312 HG1 THR 40 HG1 THR 40 2.561 2.745 -19.311 313 1HG2 THR 40 HG21 THR 40 -0.156 3.987 -17.886 314 2HG2 THR 40 HG22 THR 40 0.853 4.032 -16.440 315 3HG2 THR 40 HG23 THR 40 -0.405 2.807 -16.599 316 HA PRO 41 HA PRO 41 -1.109 -1.297 -16.634 317 1HB PRO 41 HB2 PRO 41 0.516 -3.406 -17.916 318 2HB PRO 41 HB1 PRO 41 -1.123 -2.863 -18.293 319 1HG PRO 41 HG2 PRO 41 0.934 -2.281 -19.900 320 2HG PRO 41 HG1 PRO 41 -0.383 -1.125 -19.628 321 1HD PRO 41 HD2 PRO 41 2.369 -1.178 -18.448 322 2HD PRO 41 HD1 PRO 41 1.421 0.204 -19.033 323 H TYR 42 HN TYR 42 2.243 -1.821 -15.892 324 HA TYR 42 HA TYR 42 1.737 -4.051 -14.124 325 1HB TYR 42 HB2 TYR 42 4.158 -2.526 -14.991 326 2HB TYR 42 HB1 TYR 42 4.241 -3.484 -13.517 327 HD1 TYR 42 HD1 TYR 42 3.025 -3.866 -17.036 328 HD2 TYR 42 HD2 TYR 42 5.029 -5.637 -13.728 329 HE1 TYR 42 HE1 TYR 42 3.449 -5.882 -18.381 330 HE2 TYR 42 HE2 TYR 42 5.459 -7.658 -15.062 331 HH TYR 42 HH TYR 42 5.457 -7.863 -18.144 332 H PHE 43 HN PHE 43 2.307 -0.588 -13.855 333 HA PHE 43 HA PHE 43 2.617 -0.579 -11.021 334 1HB PHE 43 HB2 PHE 43 2.284 1.483 -13.141 335 2HB PHE 43 HB1 PHE 43 1.882 1.951 -11.489 336 HD1 PHE 43 HD1 PHE 43 3.722 1.170 -9.708 337 HD2 PHE 43 HD2 PHE 43 4.425 1.868 -13.848 338 HE1 PHE 43 HE1 PHE 43 6.108 1.544 -9.236 339 HE2 PHE 43 HE2 PHE 43 6.812 2.242 -13.383 340 HZ PHE 43 HZ PHE 43 7.656 2.080 -11.074 341 H MET 44 HN MET 44 -0.082 -0.710 -13.142 342 HA MET 44 HA MET 44 -2.049 0.387 -11.418 343 1HB MET 44 HB2 MET 44 -2.216 -1.526 -13.746 344 2HB MET 44 HB1 MET 44 -3.638 -0.967 -12.876 345 1HG MET 44 HG2 MET 44 -3.130 1.328 -13.474 346 2HG MET 44 HG1 MET 44 -1.661 0.804 -14.295 347 1HE MET 44 HE1 MET 44 -3.797 2.648 -15.564 348 2HE MET 44 HE2 MET 44 -4.166 1.957 -17.143 349 3HE MET 44 HE3 MET 44 -2.491 2.090 -16.609 350 H LYS 45 HN LYS 45 -0.560 -2.742 -11.742 351 HA LYS 45 HA LYS 45 -2.436 -4.156 -10.113 352 1HB LYS 45 HB2 LYS 45 -0.697 -5.047 -11.866 353 2HB LYS 45 HB1 LYS 45 0.398 -5.055 -10.487 354 1HG LYS 45 HG2 LYS 45 -0.448 -6.969 -9.771 355 2HG LYS 45 HG1 LYS 45 -2.076 -6.290 -9.752 356 1HD LYS 45 HD2 LYS 45 -2.053 -6.695 -12.290 357 2HD LYS 45 HD1 LYS 45 -0.665 -7.737 -11.970 358 1HE LYS 45 HE2 LYS 45 -1.918 -9.319 -10.929 359 2HE LYS 45 HE1 LYS 45 -3.057 -8.142 -10.277 360 1HZ LYS 45 HZ1 LYS 45 -2.959 -8.921 -13.138 361 2HZ LYS 45 HZ2 LYS 45 -4.144 -7.992 -12.369 362 3HZ LYS 45 HZ3 LYS 45 -3.993 -9.636 -12.006 363 H SER 46 HN SER 46 0.432 -2.258 -9.541 364 HA SER 46 HA SER 46 1.008 -3.216 -6.935 365 1HB SER 46 HB2 SER 46 1.653 -0.393 -7.570 366 2HB SER 46 HB1 SER 46 2.691 -1.674 -6.937 367 HG SER 46 HG SER 46 2.751 -2.544 -9.064 368 H ILE 47 HN ILE 47 -0.687 -0.311 -8.106 369 HA ILE 47 HA ILE 47 -1.520 0.648 -5.619 370 HB ILE 47 HB ILE 47 -2.983 0.889 -8.254 371 1HG1 ILE 47 HG12 ILE 47 -0.599 1.662 -8.287 372 2HG1 ILE 47 HG11 ILE 47 -1.769 2.938 -8.605 373 1HG2 ILE 47 HG21 ILE 47 -3.241 2.344 -5.643 374 2HG2 ILE 47 HG22 ILE 47 -4.495 1.550 -6.595 375 3HG2 ILE 47 HG23 ILE 47 -3.777 3.057 -7.163 376 1HD1 ILE 47 HD11 ILE 47 0.116 3.579 -7.109 377 2HD1 ILE 47 HD12 ILE 47 -0.526 2.452 -5.913 378 3HD1 ILE 47 HD13 ILE 47 -1.488 3.840 -6.423 379 H ASP 48 HN ASP 48 -3.033 -1.636 -7.858 380 HA ASP 48 HA ASP 48 -5.449 -1.996 -6.477 381 1HB ASP 48 HB2 ASP 48 -3.950 -3.427 -8.572 382 2HB ASP 48 HB1 ASP 48 -5.014 -4.451 -7.608 383 H CYS 49 HN CYS 49 -2.253 -3.170 -5.901 384 HA CYS 49 HA CYS 49 -3.069 -5.228 -4.044 385 1HB CYS 49 HB2 CYS 49 -0.452 -4.182 -5.055 386 2HB CYS 49 HB1 CYS 49 -0.479 -5.116 -3.561 387 HG CYS 49 HG CYS 49 -2.000 -6.418 -6.298 388 H ILE 50 HN ILE 50 -1.433 -2.063 -3.855 389 HA ILE 50 HA ILE 50 -1.172 -1.960 -1.077 390 HB ILE 50 HB ILE 50 -0.353 -0.358 -3.077 391 1HG1 ILE 50 HG12 ILE 50 -0.716 0.827 -0.334 392 2HG1 ILE 50 HG11 ILE 50 0.353 -0.551 -0.598 393 1HG2 ILE 50 HG21 ILE 50 -2.415 1.364 -1.738 394 2HG2 ILE 50 HG22 ILE 50 -2.730 0.529 -3.258 395 3HG2 ILE 50 HG23 ILE 50 -1.435 1.720 -3.160 396 1HD1 ILE 50 HD11 ILE 50 1.469 1.679 -0.604 397 2HD1 ILE 50 HD12 ILE 50 0.594 2.043 -2.092 398 3HD1 ILE 50 HD13 ILE 50 1.745 0.707 -2.049 399 H ARG 51 HN ARG 51 -3.901 -1.480 -3.142 400 HA ARG 51 HA ARG 51 -5.504 -0.046 -1.250 401 1HB ARG 51 HB2 ARG 51 -6.009 -1.386 -3.883 402 2HB ARG 51 HB1 ARG 51 -7.371 -0.914 -2.876 403 1HG ARG 51 HG2 ARG 51 -5.506 1.255 -3.084 404 2HG ARG 51 HG1 ARG 51 -5.950 0.671 -4.690 405 1HD ARG 51 HD2 ARG 51 -8.330 0.857 -4.059 406 2HD ARG 51 HD1 ARG 51 -7.844 1.519 -2.500 407 HE ARG 51 HE ARG 51 -6.658 3.231 -4.131 408 1HH1 ARG 51 HH11 ARG 51 -9.867 1.880 -4.281 409 2HH1 ARG 51 HH12 ARG 51 -10.554 3.265 -5.060 410 1HH2 ARG 51 HH21 ARG 51 -7.554 5.060 -5.156 411 2HH2 ARG 51 HH22 ARG 51 -9.239 5.072 -5.558 412 H ALA 52 HN ALA 52 -5.600 -3.379 -2.514 413 HA ALA 52 HA ALA 52 -7.552 -4.367 -0.791 414 1HB ALA 52 HB1 ALA 52 -6.791 -6.560 -1.375 415 2HB ALA 52 HB2 ALA 52 -5.208 -5.942 -1.844 416 3HB ALA 52 HB3 ALA 52 -6.631 -5.532 -2.799 417 H PHE 53 HN PHE 53 -4.125 -3.880 -0.297 418 HA PHE 53 HA PHE 53 -3.979 -5.334 2.165 419 1HB PHE 53 HB2 PHE 53 -2.090 -4.665 0.469 420 2HB PHE 53 HB1 PHE 53 -2.024 -3.187 1.424 421 HD1 PHE 53 HD1 PHE 53 -0.299 -5.995 0.961 422 HD2 PHE 53 HD2 PHE 53 -2.311 -4.008 4.140 423 HE1 PHE 53 HE1 PHE 53 1.163 -7.121 2.588 424 HE2 PHE 53 HE2 PHE 53 -0.853 -5.130 5.771 425 HZ PHE 53 HZ PHE 53 0.887 -6.687 4.995 426 H ARG 54 HN ARG 54 -3.836 -1.849 1.410 427 HA ARG 54 HA ARG 54 -3.776 -0.854 3.979 428 1HB ARG 54 HB2 ARG 54 -3.613 0.405 1.754 429 2HB ARG 54 HB1 ARG 54 -5.370 0.459 1.790 430 1HG ARG 54 HG2 ARG 54 -5.176 1.554 4.051 431 2HG ARG 54 HG1 ARG 54 -3.446 1.705 3.729 432 1HD ARG 54 HD2 ARG 54 -5.654 2.819 1.999 433 2HD ARG 54 HD1 ARG 54 -4.690 3.749 3.150 434 HE ARG 54 HE ARG 54 -3.755 2.614 0.614 435 1HH1 ARG 54 HH11 ARG 54 -3.169 4.557 3.448 436 2HH1 ARG 54 HH12 ARG 54 -1.737 5.290 2.807 437 1HH2 ARG 54 HH21 ARG 54 -1.869 3.573 -0.236 438 2HH2 ARG 54 HH22 ARG 54 -0.998 4.731 0.713 439 H GLU 55 HN GLU 55 -6.617 -1.741 2.057 440 HA GLU 55 HA GLU 55 -8.549 -0.853 3.905 441 1HB GLU 55 HB2 GLU 55 -8.542 -2.687 1.559 442 2HB GLU 55 HB1 GLU 55 -9.924 -2.744 2.645 443 1HG GLU 55 HG2 GLU 55 -10.264 -0.338 2.315 444 2HG GLU 55 HG1 GLU 55 -8.904 -0.312 1.192 445 H GLU 56 HN GLU 56 -7.373 -4.167 3.271 446 HA GLU 56 HA GLU 56 -8.814 -5.356 5.380 447 1HB GLU 56 HB2 GLU 56 -6.438 -6.207 3.753 448 2HB GLU 56 HB1 GLU 56 -7.003 -7.190 5.099 449 1HG GLU 56 HG2 GLU 56 -9.295 -6.625 3.639 450 2HG GLU 56 HG1 GLU 56 -8.055 -6.937 2.426 451 H ALA 57 HN ALA 57 -5.911 -3.499 5.380 452 HA ALA 57 HA ALA 57 -4.949 -4.600 7.883 453 1HB ALA 57 HB1 ALA 57 -3.945 -2.478 6.018 454 2HB ALA 57 HB2 ALA 57 -3.204 -4.020 6.443 455 3HB ALA 57 HB3 ALA 57 -3.246 -2.707 7.620 456 H ILE 58 HN ILE 58 -5.873 -1.335 6.760 457 HA ILE 58 HA ILE 58 -5.958 -0.143 9.277 458 HB ILE 58 HB ILE 58 -7.328 1.609 8.311 459 1HG1 ILE 58 HG12 ILE 58 -7.694 0.969 5.645 460 2HG1 ILE 58 HG11 ILE 58 -8.106 -0.531 6.474 461 1HG2 ILE 58 HG21 ILE 58 -5.357 2.256 7.513 462 2HG2 ILE 58 HG22 ILE 58 -5.859 1.573 5.967 463 3HG2 ILE 58 HG23 ILE 58 -4.903 0.605 7.090 464 1HD1 ILE 58 HD11 ILE 58 -10.131 0.551 6.367 465 2HD1 ILE 58 HD12 ILE 58 -9.417 2.141 6.632 466 3HD1 ILE 58 HD13 ILE 58 -9.561 1.005 7.973 467 H LYS 59 HN LYS 59 -8.453 -1.878 7.482 468 HA LYS 59 HA LYS 59 -10.662 -1.396 9.031 469 1HB LYS 59 HB2 LYS 59 -9.768 -3.650 7.332 470 2HB LYS 59 HB1 LYS 59 -11.063 -4.005 8.467 471 1HG LYS 59 HG2 LYS 59 -11.487 -1.525 7.004 472 2HG LYS 59 HG1 LYS 59 -11.364 -2.943 5.956 473 1HD LYS 59 HD2 LYS 59 -13.074 -4.069 7.347 474 2HD LYS 59 HD1 LYS 59 -13.234 -2.592 8.301 475 1HE LYS 59 HE2 LYS 59 -13.868 -1.383 6.232 476 2HE LYS 59 HE1 LYS 59 -13.812 -2.913 5.358 477 1HZ LYS 59 HZ1 LYS 59 -16.066 -2.349 6.015 478 2HZ LYS 59 HZ2 LYS 59 -15.607 -2.295 7.643 479 3HZ LYS 59 HZ3 LYS 59 -15.557 -3.760 6.797 480 H PHE 60 HN PHE 60 -8.322 -4.077 9.501 481 HA PHE 60 HA PHE 60 -8.293 -3.825 12.303 482 1HB PHE 60 HB2 PHE 60 -9.492 -6.195 12.585 483 2HB PHE 60 HB1 PHE 60 -10.375 -4.675 12.694 484 HD1 PHE 60 HD1 PHE 60 -12.411 -4.707 11.670 485 HD2 PHE 60 HD2 PHE 60 -9.228 -6.937 9.936 486 HE1 PHE 60 HE1 PHE 60 -13.913 -5.442 9.866 487 HE2 PHE 60 HE2 PHE 60 -10.723 -7.674 8.129 488 HZ PHE 60 HZ PHE 60 -13.070 -6.928 8.092 489 H SER 61 HN SER 61 -6.071 -4.036 11.490 490 HA SER 61 HA SER 61 -5.142 -6.710 11.877 491 1HB SER 61 HB2 SER 61 -5.815 -6.498 9.381 492 2HB SER 61 HB1 SER 61 -4.347 -5.535 9.233 493 HG SER 61 HG SER 61 -3.462 -7.531 10.467 494 H GLU 62 HN GLU 62 -3.244 -4.658 9.844 495 HA GLU 62 HA GLU 62 -1.729 -3.731 12.186 496 1HB GLU 62 HB2 GLU 62 -0.680 -5.149 9.746 497 2HB GLU 62 HB1 GLU 62 0.355 -4.119 10.730 498 1HG GLU 62 HG2 GLU 62 -0.406 -5.558 12.703 499 2HG GLU 62 HG1 GLU 62 -0.995 -6.687 11.481 500 H GLU 63 HN GLU 63 -3.271 -1.906 11.421 501 HA GLU 63 HA GLU 63 -2.835 -0.414 9.138 502 1HB GLU 63 HB2 GLU 63 -3.614 1.549 10.492 503 2HB GLU 63 HB1 GLU 63 -4.659 0.138 10.577 504 1HG GLU 63 HG2 GLU 63 -3.183 -0.377 12.709 505 2HG GLU 63 HG1 GLU 63 -2.958 1.373 12.667 506 H GLN 64 HN GLN 64 -0.969 -0.451 12.126 507 HA GLN 64 HA GLN 64 0.629 1.825 11.595 508 1HB GLN 64 HB2 GLN 64 1.166 -0.612 13.303 509 2HB GLN 64 HB1 GLN 64 2.177 0.827 13.287 510 1HG GLN 64 HG2 GLN 64 0.152 2.138 13.967 511 2HG GLN 64 HG1 GLN 64 -0.679 0.599 14.193 512 1HE2 GLN 64 HE21 GLN 64 -0.492 -0.385 16.088 513 2HE2 GLN 64 HE22 GLN 64 0.632 0.034 17.331 514 H ARG 65 HN ARG 65 0.671 -1.371 10.342 515 HA ARG 65 HA ARG 65 3.428 -1.415 9.567 516 1HB ARG 65 HB2 ARG 65 2.297 -3.519 9.849 517 2HB ARG 65 HB1 ARG 65 1.042 -3.059 8.708 518 1HG ARG 65 HG2 ARG 65 2.730 -3.038 6.910 519 2HG ARG 65 HG1 ARG 65 3.933 -3.603 8.072 520 1HD ARG 65 HD2 ARG 65 1.876 -5.386 8.419 521 2HD ARG 65 HD1 ARG 65 1.821 -5.071 6.684 522 HE ARG 65 HE ARG 65 3.990 -5.967 6.478 523 1HH1 ARG 65 HH11 ARG 65 2.779 -6.108 9.742 524 2HH1 ARG 65 HH12 ARG 65 3.943 -7.280 10.260 525 1HH2 ARG 65 HH21 ARG 65 5.527 -7.511 7.152 526 2HH2 ARG 65 HH22 ARG 65 5.506 -8.078 8.788 527 H PHE 66 HN PHE 66 0.600 0.066 8.391 528 HA PHE 66 HA PHE 66 1.581 0.279 5.660 529 1HB PHE 66 HB2 PHE 66 -0.989 0.267 6.770 530 2HB PHE 66 HB1 PHE 66 -0.734 1.919 6.207 531 HD1 PHE 66 HD1 PHE 66 -0.636 -1.624 5.153 532 HD2 PHE 66 HD2 PHE 66 -0.819 2.444 3.923 533 HE1 PHE 66 HE1 PHE 66 -1.060 -2.345 2.841 534 HE2 PHE 66 HE2 PHE 66 -1.248 1.730 1.609 535 HZ PHE 66 HZ PHE 66 -1.369 -0.669 1.067 536 H ASN 67 HN ASN 67 0.776 2.423 8.397 537 HA ASN 67 HA ASN 67 1.717 4.785 7.163 538 1HB ASN 67 HB2 ASN 67 2.090 5.436 9.708 539 2HB ASN 67 HB1 ASN 67 0.473 5.321 9.032 540 1HD2 ASN 67 HD21 ASN 67 -0.889 3.799 9.780 541 2HD2 ASN 67 HD22 ASN 67 -0.518 2.732 11.085 542 H ASN 68 HN ASN 68 3.208 2.056 8.414 543 HA ASN 68 HA ASN 68 5.761 3.208 9.082 544 1HB ASN 68 HB2 ASN 68 5.062 1.072 10.077 545 2HB ASN 68 HB1 ASN 68 5.005 0.334 8.479 546 1HD2 ASN 68 HD21 ASN 68 6.945 1.167 11.144 547 2HD2 ASN 68 HD22 ASN 68 8.453 0.602 10.520 548 H PHE 69 HN PHE 69 4.661 1.081 6.450 549 HA PHE 69 HA PHE 69 6.924 1.499 4.816 550 1HB PHE 69 HB2 PHE 69 5.008 -0.323 4.747 551 2HB PHE 69 HB1 PHE 69 4.281 0.804 3.603 552 HD1 PHE 69 HD1 PHE 69 5.201 1.122 1.421 553 HD2 PHE 69 HD2 PHE 69 7.133 -1.418 4.237 554 HE1 PHE 69 HE1 PHE 69 6.612 0.209 -0.377 555 HE2 PHE 69 HE2 PHE 69 8.547 -2.335 2.445 556 HZ PHE 69 HZ PHE 69 8.289 -1.522 0.135 557 H LEU 70 HN LEU 70 4.058 3.355 5.333 558 HA LEU 70 HA LEU 70 4.079 4.811 2.883 559 1HB LEU 70 HB2 LEU 70 2.744 5.116 5.538 560 2HB LEU 70 HB1 LEU 70 2.800 6.509 4.478 561 HG LEU 70 HG LEU 70 0.817 4.631 4.513 562 1HD1 LEU 70 HD11 LEU 70 -0.072 6.230 3.271 563 2HD1 LEU 70 HD12 LEU 70 0.913 5.730 1.896 564 3HD1 LEU 70 HD13 LEU 70 1.529 6.931 3.030 565 1HD2 LEU 70 HD21 LEU 70 2.421 2.988 3.484 566 2HD2 LEU 70 HD22 LEU 70 2.428 4.010 2.047 567 3HD2 LEU 70 HD23 LEU 70 0.927 3.256 2.586 568 H LYS 71 HN LYS 71 5.096 5.661 6.191 569 HA LYS 71 HA LYS 71 6.224 8.127 5.668 570 1HB LYS 71 HB2 LYS 71 6.625 6.034 7.732 571 2HB LYS 71 HB1 LYS 71 7.892 7.245 7.589 572 1HG LYS 71 HG2 LYS 71 6.165 9.007 7.855 573 2HG LYS 71 HG1 LYS 71 4.975 7.734 8.146 574 1HD LYS 71 HD2 LYS 71 6.536 6.938 10.003 575 2HD LYS 71 HD1 LYS 71 7.358 8.489 9.817 576 1HE LYS 71 HE2 LYS 71 5.353 9.686 10.363 577 2HE LYS 71 HE1 LYS 71 4.407 8.197 10.352 578 1HZ LYS 71 HZ1 LYS 71 5.022 9.022 12.600 579 2HZ LYS 71 HZ2 LYS 71 6.643 8.705 12.234 580 3HZ LYS 71 HZ3 LYS 71 5.526 7.437 12.289 581 H ALA 72 HN ALA 72 7.647 4.908 5.344 582 HA ALA 72 HA ALA 72 10.240 5.821 4.617 583 1HB ALA 72 HB1 ALA 72 9.961 3.601 5.504 584 2HB ALA 72 HB2 ALA 72 10.586 3.482 3.859 585 3HB ALA 72 HB3 ALA 72 8.881 3.164 4.181 586 H LEU 73 HN LEU 73 7.404 4.767 2.784 587 HA LEU 73 HA LEU 73 8.430 4.768 0.220 588 1HB LEU 73 HB2 LEU 73 6.089 4.130 1.017 589 2HB LEU 73 HB1 LEU 73 5.698 5.837 0.899 590 HG LEU 73 HG LEU 73 6.592 5.564 -1.558 591 1HD1 LEU 73 HD11 LEU 73 6.089 3.355 -2.482 592 2HD1 LEU 73 HD12 LEU 73 5.761 2.752 -0.857 593 3HD1 LEU 73 HD13 LEU 73 7.387 3.281 -1.290 594 1HD2 LEU 73 HD21 LEU 73 4.374 6.254 -1.191 595 2HD2 LEU 73 HD22 LEU 73 3.920 4.702 -0.488 596 3HD2 LEU 73 HD23 LEU 73 4.251 4.823 -2.216 597 H GLN 74 HN GLN 74 7.279 7.466 2.165 598 HA GLN 74 HA GLN 74 7.516 9.443 0.147 599 1HB GLN 74 HB2 GLN 74 6.291 9.541 2.441 600 2HB GLN 74 HB1 GLN 74 7.855 10.036 3.073 601 1HG GLN 74 HG2 GLN 74 7.558 11.688 0.919 602 2HG GLN 74 HG1 GLN 74 5.902 11.528 1.503 603 1HE2 GLN 74 HE21 GLN 74 9.173 12.417 2.422 604 2HE2 GLN 74 HE22 GLN 74 8.725 13.453 3.730 605 H GLU 75 HN GLU 75 9.623 8.555 2.863 606 HA GLU 75 HA GLU 75 11.725 10.291 2.312 607 1HB GLU 75 HB2 GLU 75 11.491 7.688 3.746 608 2HB GLU 75 HB1 GLU 75 13.102 8.305 3.406 609 1HG GLU 75 HG2 GLU 75 12.557 10.375 4.581 610 2HG GLU 75 HG1 GLU 75 10.942 9.755 4.922 611 H LYS 76 HN LYS 76 10.893 7.249 0.810 612 HA LYS 76 HA LYS 76 13.440 6.960 -0.519 613 1HB LYS 76 HB2 LYS 76 10.974 5.375 -0.242 614 2HB LYS 76 HB1 LYS 76 11.778 5.222 -1.798 615 1HG LYS 76 HG2 LYS 76 13.867 4.633 -0.618 616 2HG LYS 76 HG1 LYS 76 12.982 4.685 0.908 617 1HD LYS 76 HD2 LYS 76 11.400 2.982 -0.156 618 2HD LYS 76 HD1 LYS 76 12.644 2.780 -1.391 619 1HE LYS 76 HE2 LYS 76 14.240 2.062 0.241 620 2HE LYS 76 HE1 LYS 76 13.149 2.473 1.563 621 1HZ LYS 76 HZ1 LYS 76 13.235 0.072 1.051 622 2HZ LYS 76 HZ2 LYS 76 12.583 0.392 -0.477 623 3HZ LYS 76 HZ3 LYS 76 11.678 0.722 0.913 624 H VAL 77 HN VAL 77 10.088 7.536 -1.545 625 HA VAL 77 HA VAL 77 10.502 7.926 -4.235 626 HB VAL 77 HB VAL 77 8.272 7.870 -3.094 627 1HG1 VAL 77 HG11 VAL 77 7.349 10.072 -2.366 628 2HG1 VAL 77 HG12 VAL 77 8.987 10.722 -2.436 629 3HG1 VAL 77 HG13 VAL 77 8.601 9.422 -1.310 630 1HG2 VAL 77 HG21 VAL 77 7.286 8.820 -4.886 631 2HG2 VAL 77 HG22 VAL 77 8.949 8.892 -5.468 632 3HG2 VAL 77 HG23 VAL 77 8.206 10.317 -4.740 633 H GLU 78 HN GLU 78 11.217 10.061 -1.559 634 HA GLU 78 HA GLU 78 11.568 12.436 -3.026 635 1HB GLU 78 HB2 GLU 78 12.532 11.432 -0.376 636 2HB GLU 78 HB1 GLU 78 13.224 12.906 -1.038 637 1HG GLU 78 HG2 GLU 78 10.865 13.769 -1.259 638 2HG GLU 78 HG1 GLU 78 10.363 12.377 -0.301 639 H ILE 79 HN ILE 79 13.851 9.957 -1.934 640 HA ILE 79 HA ILE 79 16.137 10.992 -3.169 641 HB ILE 79 HB ILE 79 15.502 8.071 -2.726 642 1HG1 ILE 79 HG12 ILE 79 17.291 9.412 -0.842 643 2HG1 ILE 79 HG11 ILE 79 15.658 10.079 -0.834 644 1HG2 ILE 79 HG21 ILE 79 17.385 8.023 -4.059 645 2HG2 ILE 79 HG22 ILE 79 18.093 8.078 -2.443 646 3HG2 ILE 79 HG23 ILE 79 18.005 9.545 -3.418 647 1HD1 ILE 79 HD11 ILE 79 16.619 7.396 -0.033 648 2HD1 ILE 79 HD12 ILE 79 15.003 7.533 -0.724 649 3HD1 ILE 79 HD13 ILE 79 15.423 8.450 0.721 650 H LYS 80 HN LYS 80 13.355 9.982 -4.646 651 HA LYS 80 HA LYS 80 12.777 9.968 -6.833 652 1HB LYS 80 HB2 LYS 80 14.163 10.984 -8.240 653 2HB LYS 80 HB1 LYS 80 15.365 10.974 -6.961 654 1HG LYS 80 HG2 LYS 80 16.411 9.047 -7.820 655 2HG LYS 80 HG1 LYS 80 15.048 8.686 -8.881 656 1HD LYS 80 HD2 LYS 80 16.355 9.661 -10.441 657 2HD LYS 80 HD1 LYS 80 15.692 11.149 -9.762 658 1HE LYS 80 HE2 LYS 80 17.776 10.723 -8.094 659 2HE LYS 80 HE1 LYS 80 18.409 10.026 -9.585 660 1HZ LYS 80 HZ1 LYS 80 17.494 12.802 -9.116 661 2HZ LYS 80 HZ2 LYS 80 17.705 12.176 -10.672 662 3HZ LYS 80 HZ3 LYS 80 19.023 12.275 -9.616 663 H GLN 81 HN GLN 81 11.847 8.248 -7.528 664 HA GLN 81 HA GLN 81 13.008 6.004 -8.653 665 1HB GLN 81 HB2 GLN 81 13.072 5.916 -5.783 666 2HB GLN 81 HB1 GLN 81 11.996 4.659 -6.381 667 1HG GLN 81 HG2 GLN 81 13.935 4.101 -7.993 668 2HG GLN 81 HG1 GLN 81 14.919 5.027 -6.861 669 1HE2 GLN 81 HE21 GLN 81 15.613 2.498 -7.180 670 2HE2 GLN 81 HE22 GLN 81 15.149 1.530 -5.827 671 H LEU 82 HN LEU 82 10.331 7.129 -6.643 672 HA LEU 82 HA LEU 82 8.472 5.879 -8.549 673 1HB LEU 82 HB2 LEU 82 6.957 5.777 -6.376 674 2HB LEU 82 HB1 LEU 82 8.039 4.469 -6.819 675 HG LEU 82 HG LEU 82 9.195 6.548 -5.068 676 1HD1 LEU 82 HD11 LEU 82 7.115 6.479 -3.973 677 2HD1 LEU 82 HD12 LEU 82 8.153 5.373 -3.076 678 3HD1 LEU 82 HD13 LEU 82 6.958 4.737 -4.206 679 1HD2 LEU 82 HD21 LEU 82 9.652 3.823 -5.821 680 2HD2 LEU 82 HD22 LEU 82 9.506 3.941 -4.067 681 3HD2 LEU 82 HD23 LEU 82 10.698 4.921 -4.921 682 H ASN 83 HN ASN 83 9.364 8.496 -8.744 683 HA ASN 83 HA ASN 83 7.828 10.431 -7.446 684 1HB ASN 83 HB2 ASN 83 8.575 10.856 -10.303 685 2HB ASN 83 HB1 ASN 83 8.740 11.942 -8.926 686 1HD2 ASN 83 HD21 ASN 83 10.482 11.632 -7.483 687 2HD2 ASN 83 HD22 ASN 83 11.911 10.801 -7.982 688 H HIS 84 HN HIS 84 7.029 8.255 -10.014 689 HA HIS 84 HA HIS 84 4.655 9.712 -10.806 690 1HB HIS 84 HB2 HIS 84 4.310 7.390 -12.059 691 2HB HIS 84 HB1 HIS 84 5.428 8.609 -12.660 692 HD1 HIS 84 HD1 HIS 84 5.775 5.812 -10.090 693 HD2 HIS 84 HD2 HIS 84 7.684 7.361 -13.439 694 HE1 HIS 84 HE1 HIS 84 7.831 4.399 -10.406 695 HE2 HIS 84 HE2 HIS 84 8.927 5.302 -12.487 696 H PHE 85 HN PHE 85 5.483 6.859 -8.909 697 HA PHE 85 HA PHE 85 2.950 5.786 -8.524 698 1HB PHE 85 HB2 PHE 85 5.332 4.981 -7.739 699 2HB PHE 85 HB1 PHE 85 4.901 5.825 -6.253 700 HD1 PHE 85 HD1 PHE 85 3.649 3.239 -8.613 701 HD2 PHE 85 HD2 PHE 85 3.641 4.747 -4.633 702 HE1 PHE 85 HE1 PHE 85 2.379 1.266 -7.871 703 HE2 PHE 85 HE2 PHE 85 2.370 2.775 -3.883 704 HZ PHE 85 HZ PHE 85 1.738 1.033 -5.506 705 H TRP 86 HN TRP 86 4.615 8.330 -6.681 706 HA TRP 86 HA TRP 86 2.684 8.666 -4.691 707 1HB TRP 86 HB2 TRP 86 5.036 9.634 -4.783 708 2HB TRP 86 HB1 TRP 86 4.378 10.883 -5.835 709 HD1 TRP 86 HD1 TRP 86 4.003 13.000 -4.517 710 HE1 TRP 86 HE1 TRP 86 3.148 13.608 -2.159 711 HE3 TRP 86 HE3 TRP 86 3.252 8.290 -2.700 712 HZ2 TRP 86 HZ2 TRP 86 2.273 12.252 0.163 713 HZ3 TRP 86 HZ3 TRP 86 2.405 8.026 -0.406 714 HH2 TRP 86 HH2 TRP 86 1.926 9.967 0.994 715 H GLU 87 HN GLU 87 3.033 10.199 -7.869 716 HA GLU 87 HA GLU 87 0.830 11.943 -7.633 717 1HB GLU 87 HB2 GLU 87 2.146 10.711 -10.063 718 2HB GLU 87 HB1 GLU 87 0.884 11.932 -10.159 719 1HG GLU 87 HG2 GLU 87 2.265 13.556 -9.106 720 2HG GLU 87 HG1 GLU 87 3.481 12.344 -8.703 721 H ILE 88 HN ILE 88 1.173 8.615 -8.699 722 HA ILE 88 HA ILE 88 -1.543 8.300 -9.541 723 HB ILE 88 HB ILE 88 0.476 6.179 -8.780 724 1HG1 ILE 88 HG12 ILE 88 -0.262 6.915 -11.593 725 2HG1 ILE 88 HG11 ILE 88 0.944 7.868 -10.729 726 1HG2 ILE 88 HG21 ILE 88 -1.011 4.824 -10.393 727 2HG2 ILE 88 HG22 ILE 88 -2.223 6.064 -10.073 728 3HG2 ILE 88 HG23 ILE 88 -1.580 5.095 -8.746 729 1HD1 ILE 88 HD11 ILE 88 2.038 6.201 -12.061 730 2HD1 ILE 88 HD12 ILE 88 1.067 4.923 -11.329 731 3HD1 ILE 88 HD13 ILE 88 2.244 5.804 -10.355 732 H VAL 89 HN VAL 89 0.036 8.396 -6.559 733 HA VAL 89 HA VAL 89 -1.850 6.706 -5.129 734 HB VAL 89 HB VAL 89 0.571 8.280 -4.295 735 1HG1 VAL 89 HG11 VAL 89 0.019 7.289 -1.959 736 2HG1 VAL 89 HG12 VAL 89 -1.641 7.273 -2.553 737 3HG1 VAL 89 HG13 VAL 89 -0.751 8.793 -2.466 738 1HG2 VAL 89 HG21 VAL 89 0.064 5.468 -3.509 739 2HG2 VAL 89 HG22 VAL 89 1.567 6.262 -3.977 740 3HG2 VAL 89 HG23 VAL 89 0.398 5.789 -5.210 741 H VAL 90 HN VAL 90 -1.105 10.125 -5.562 742 HA VAL 90 HA VAL 90 -3.190 10.937 -3.720 743 HB VAL 90 HB VAL 90 -1.009 12.203 -4.043 744 1HG1 VAL 90 HG11 VAL 90 -0.827 13.761 -5.852 745 2HG1 VAL 90 HG12 VAL 90 -2.405 13.286 -6.480 746 3HG1 VAL 90 HG13 VAL 90 -1.060 12.146 -6.523 747 1HG2 VAL 90 HG21 VAL 90 -3.459 13.901 -4.431 748 2HG2 VAL 90 HG22 VAL 90 -2.001 14.280 -3.515 749 3HG2 VAL 90 HG23 VAL 90 -3.118 13.048 -2.926 750 H GLN 91 HN GLN 91 -2.660 10.727 -7.181 751 HA GLN 91 HA GLN 91 -4.947 12.143 -8.016 752 1HB GLN 91 HB2 GLN 91 -3.023 11.479 -9.485 753 2HB GLN 91 HB1 GLN 91 -3.637 9.831 -9.457 754 1HG GLN 91 HG2 GLN 91 -5.434 10.328 -10.783 755 2HG GLN 91 HG1 GLN 91 -5.459 12.023 -10.302 756 1HE2 GLN 91 HE21 GLN 91 -3.483 13.277 -11.005 757 2HE2 GLN 91 HE22 GLN 91 -2.912 12.985 -12.609 758 H ASP 92 HN ASP 92 -4.410 8.646 -7.569 759 HA ASP 92 HA ASP 92 -7.021 7.831 -8.161 760 1HB ASP 92 HB2 ASP 92 -4.714 6.639 -6.697 761 2HB ASP 92 HB1 ASP 92 -6.293 5.886 -6.494 762 H GLY 93 HN GLY 93 -6.030 9.789 -5.690 763 1HA GLY 93 HA2 GLY 93 -7.334 10.736 -4.025 764 2HA GLY 93 HA1 GLY 93 -8.563 9.514 -4.332 765 H ILE 94 HN ILE 94 -5.659 7.916 -3.961 766 HA ILE 94 HA ILE 94 -6.401 6.715 -1.545 767 HB ILE 94 HB ILE 94 -3.578 6.874 -2.596 768 1HG1 ILE 94 HG12 ILE 94 -5.551 4.711 -3.300 769 2HG1 ILE 94 HG11 ILE 94 -5.412 6.169 -4.282 770 1HG2 ILE 94 HG21 ILE 94 -3.829 5.940 -0.353 771 2HG2 ILE 94 HG22 ILE 94 -3.325 4.707 -1.509 772 3HG2 ILE 94 HG23 ILE 94 -5.003 4.774 -0.968 773 1HD1 ILE 94 HD11 ILE 94 -2.806 5.353 -4.031 774 2HD1 ILE 94 HD12 ILE 94 -3.860 5.052 -5.413 775 3HD1 ILE 94 HD13 ILE 94 -3.692 3.833 -4.150 776 H THR 95 HN THR 95 -6.332 7.443 0.450 777 HA THR 95 HA THR 95 -4.767 9.832 1.060 778 HB THR 95 HB THR 95 -6.121 10.078 3.033 779 HG1 THR 95 HG1 THR 95 -7.772 8.455 3.453 780 1HG2 THR 95 HG21 THR 95 -7.872 9.245 0.716 781 2HG2 THR 95 HG22 THR 95 -7.119 10.827 0.913 782 3HG2 THR 95 HG23 THR 95 -8.348 10.287 2.057 783 H LEU 96 HN LEU 96 -4.547 9.553 3.792 784 HA LEU 96 HA LEU 96 -2.421 7.523 3.950 785 1HB LEU 96 HB2 LEU 96 -2.807 10.189 5.261 786 2HB LEU 96 HB1 LEU 96 -1.859 8.959 6.077 787 HG LEU 96 HG LEU 96 -0.702 10.755 4.552 788 1HD1 LEU 96 HD11 LEU 96 -0.107 7.927 5.097 789 2HD1 LEU 96 HD12 LEU 96 0.832 9.378 5.447 790 3HD1 LEU 96 HD13 LEU 96 0.854 8.682 3.826 791 1HD2 LEU 96 HD21 LEU 96 -1.118 8.620 2.489 792 2HD2 LEU 96 HD22 LEU 96 -0.467 10.246 2.290 793 3HD2 LEU 96 HD23 LEU 96 -2.189 10.017 2.592 794 H ILE 97 HN ILE 97 -2.090 6.709 6.249 795 HA ILE 97 HA ILE 97 -4.513 5.484 7.106 796 HB ILE 97 HB ILE 97 -1.667 5.412 8.001 797 1HG1 ILE 97 HG12 ILE 97 -2.047 2.971 7.752 798 2HG1 ILE 97 HG11 ILE 97 -3.727 3.297 7.332 799 1HG2 ILE 97 HG21 ILE 97 -2.460 5.516 10.146 800 2HG2 ILE 97 HG22 ILE 97 -2.573 3.782 9.840 801 3HG2 ILE 97 HG23 ILE 97 -4.014 4.793 9.727 802 1HD1 ILE 97 HD11 ILE 97 -1.309 4.189 5.774 803 2HD1 ILE 97 HD12 ILE 97 -2.988 4.526 5.352 804 3HD1 ILE 97 HD13 ILE 97 -2.395 2.865 5.350 805 H THR 98 HN THR 98 -6.034 6.704 8.056 806 HA THR 98 HA THR 98 -5.198 8.724 10.019 807 HB THR 98 HB THR 98 -8.017 8.609 9.082 808 HG1 THR 98 HG1 THR 98 -7.401 9.780 7.180 809 1HG2 THR 98 HG21 THR 98 -6.063 10.861 9.576 810 2HG2 THR 98 HG22 THR 98 -7.296 10.291 10.702 811 3HG2 THR 98 HG23 THR 98 -7.772 11.049 9.182 812 H LYS 99 HN LYS 99 -6.066 8.809 12.051 813 HA LYS 99 HA LYS 99 -6.546 6.544 13.471 814 1HB LYS 99 HB2 LYS 99 -7.940 8.206 15.000 815 2HB LYS 99 HB1 LYS 99 -6.193 8.322 14.859 816 1HG LYS 99 HG2 LYS 99 -6.285 10.227 13.577 817 2HG LYS 99 HG1 LYS 99 -7.917 9.886 12.997 818 1HD LYS 99 HD2 LYS 99 -8.649 11.323 14.535 819 2HD LYS 99 HD1 LYS 99 -8.195 10.128 15.751 820 1HE LYS 99 HE2 LYS 99 -6.136 11.164 16.163 821 2HE LYS 99 HE1 LYS 99 -6.202 12.090 14.665 822 1HZ LYS 99 HZ1 LYS 99 -6.672 13.548 16.468 823 2HZ LYS 99 HZ2 LYS 99 -7.849 12.509 17.098 824 3HZ LYS 99 HZ3 LYS 99 -8.122 13.304 15.631 825 H GLU 100 HN GLU 100 -9.186 8.792 12.612 826 HA GLU 100 HA GLU 100 -11.250 7.016 13.286 827 1HB GLU 100 HB2 GLU 100 -11.612 9.416 13.084 828 2HB GLU 100 HB1 GLU 100 -11.272 9.346 11.361 829 1HG GLU 100 HG2 GLU 100 -13.424 9.028 10.986 830 2HG GLU 100 HG1 GLU 100 -13.322 7.487 11.837 831 H GLU 101 HN GLU 101 -9.376 7.390 10.371 832 HA GLU 101 HA GLU 101 -11.143 5.749 8.779 833 1HB GLU 101 HB2 GLU 101 -8.411 6.925 8.266 834 2HB GLU 101 HB1 GLU 101 -9.243 5.897 7.105 835 1HG GLU 101 HG2 GLU 101 -11.149 7.765 7.698 836 2HG GLU 101 HG1 GLU 101 -9.659 8.707 7.767 837 H ALA 102 HN ALA 102 -9.511 4.882 11.298 838 HA ALA 102 HA ALA 102 -8.355 2.449 10.105 839 1HB ALA 102 HB1 ALA 102 -6.619 3.585 11.218 840 2HB ALA 102 HB2 ALA 102 -7.104 2.286 12.307 841 3HB ALA 102 HB3 ALA 102 -7.637 3.939 12.613 842 H SER 103 HN SER 103 -9.419 3.214 13.411 843 HA SER 103 HA SER 103 -11.745 1.600 13.322 844 1HB SER 103 HB2 SER 103 -10.304 -0.298 13.232 845 2HB SER 103 HB1 SER 103 -9.247 0.361 14.479 846 HG SER 103 HG SER 103 -10.454 -0.652 15.849 847 H GLY 104 HN GLY 104 -9.332 1.783 15.920 848 1HA GLY 104 HA2 GLY 104 -11.353 3.035 17.623 849 2HA GLY 104 HA1 GLY 104 -9.845 2.309 18.164 850 H SER 105 HN SER 105 -10.135 4.669 15.563 851 HA SER 105 HA SER 105 -9.067 6.662 15.257 852 1HB SER 105 HB2 SER 105 -11.029 6.966 17.101 853 2HB SER 105 HB1 SER 105 -9.640 7.560 18.015 854 HG SER 105 HG SER 105 -9.885 9.328 16.924 855 H SER 106 HN SER 106 -7.074 5.084 15.551 856 HA SER 106 HA SER 106 -5.341 6.312 17.595 857 1HB SER 106 HB2 SER 106 -5.565 3.440 16.738 858 2HB SER 106 HB1 SER 106 -4.065 4.056 17.430 859 HG SER 106 HG SER 106 -5.619 4.887 19.147 860 H VAL 107 HN VAL 107 -4.568 7.867 16.133 861 HA VAL 107 HA VAL 107 -2.227 7.236 14.765 862 HB VAL 107 HB VAL 107 -4.617 6.861 13.158 863 1HG1 VAL 107 HG11 VAL 107 -4.226 9.190 12.484 864 2HG1 VAL 107 HG12 VAL 107 -3.913 8.066 11.163 865 3HG1 VAL 107 HG13 VAL 107 -2.567 8.780 12.049 866 1HG2 VAL 107 HG21 VAL 107 -2.094 6.467 11.813 867 2HG2 VAL 107 HG22 VAL 107 -3.314 5.285 12.290 868 3HG2 VAL 107 HG23 VAL 107 -2.071 5.782 13.438 869 H THR 108 HN THR 108 -1.223 9.120 13.823 870 HA THR 108 HA THR 108 -2.160 11.553 15.075 871 HB THR 108 HB THR 108 0.129 11.926 13.344 872 HG1 THR 108 HG1 THR 108 1.336 10.264 13.901 873 1HG2 THR 108 HG21 THR 108 1.132 12.779 15.345 874 2HG2 THR 108 HG22 THR 108 -0.055 11.953 16.355 875 3HG2 THR 108 HG23 THR 108 -0.554 13.296 15.327 876 H ALA 109 HN ALA 109 -2.576 13.498 14.038 877 HA ALA 109 HA ALA 109 -3.845 13.266 11.457 878 1HB ALA 109 HB1 ALA 109 -4.819 14.574 13.344 879 2HB ALA 109 HB2 ALA 109 -4.658 15.487 11.844 880 3HB ALA 109 HB3 ALA 109 -3.504 15.734 13.154 881 H GLU 110 HN GLU 110 -0.775 13.903 12.539 882 HA GLU 110 HA GLU 110 -0.013 15.957 10.665 883 1HB GLU 110 HB2 GLU 110 1.366 14.334 12.741 884 2HB GLU 110 HB1 GLU 110 2.354 15.000 11.449 885 1HG GLU 110 HG2 GLU 110 1.553 17.241 11.984 886 2HG GLU 110 HG1 GLU 110 0.553 16.576 13.275 887 H GLU 111 HN GLU 111 -0.329 12.535 10.585 888 HA GLU 111 HA GLU 111 1.587 12.089 8.495 889 1HB GLU 111 HB2 GLU 111 1.322 10.171 9.753 890 2HB GLU 111 HB1 GLU 111 -0.398 10.443 9.993 891 1HG GLU 111 HG2 GLU 111 -0.962 9.522 7.953 892 2HG GLU 111 HG1 GLU 111 0.652 9.755 7.285 893 H ALA 112 HN ALA 112 -1.961 12.151 8.705 894 HA ALA 112 HA ALA 112 -2.291 11.739 5.898 895 1HB ALA 112 HB1 ALA 112 -4.013 10.905 7.261 896 2HB ALA 112 HB2 ALA 112 -4.704 12.291 6.415 897 3HB ALA 112 HB3 ALA 112 -4.202 12.446 8.099 898 H LYS 113 HN LYS 113 -1.842 14.527 7.879 899 HA LYS 113 HA LYS 113 -3.016 16.332 5.934 900 1HB LYS 113 HB2 LYS 113 -1.760 16.684 8.633 901 2HB LYS 113 HB1 LYS 113 -2.025 18.072 7.586 902 1HG LYS 113 HG2 LYS 113 -4.443 17.343 7.453 903 2HG LYS 113 HG1 LYS 113 -4.074 16.220 8.763 904 1HD LYS 113 HD2 LYS 113 -3.300 18.131 10.132 905 2HD LYS 113 HD1 LYS 113 -3.784 19.223 8.832 906 1HE LYS 113 HE2 LYS 113 -6.079 18.616 9.079 907 2HE LYS 113 HE1 LYS 113 -5.671 17.304 10.185 908 1HZ LYS 113 HZ1 LYS 113 -4.752 19.092 11.683 909 2HZ LYS 113 HZ2 LYS 113 -6.435 19.058 11.517 910 3HZ LYS 113 HZ3 LYS 113 -5.528 20.218 10.685 911 H LYS 114 HN LYS 114 0.238 15.748 7.279 912 HA LYS 114 HA LYS 114 1.502 17.652 5.598 913 1HB LYS 114 HB2 LYS 114 2.219 16.240 7.832 914 2HB LYS 114 HB1 LYS 114 3.195 15.480 6.585 915 1HG LYS 114 HG2 LYS 114 3.161 18.427 6.593 916 2HG LYS 114 HG1 LYS 114 3.959 17.648 7.960 917 1HD LYS 114 HD2 LYS 114 5.230 16.267 6.260 918 2HD LYS 114 HD1 LYS 114 4.593 17.362 5.031 919 1HE LYS 114 HE2 LYS 114 6.859 17.982 5.806 920 2HE LYS 114 HE1 LYS 114 5.661 19.245 6.082 921 1HZ LYS 114 HZ1 LYS 114 5.494 18.497 8.392 922 2HZ LYS 114 HZ2 LYS 114 7.067 18.985 8.008 923 3HZ LYS 114 HZ3 LYS 114 6.696 17.338 8.113 924 H PHE 115 HN PHE 115 0.733 14.262 5.174 925 HA PHE 115 HA PHE 115 2.586 13.884 3.013 926 1HB PHE 115 HB2 PHE 115 0.463 12.243 4.306 927 2HB PHE 115 HB1 PHE 115 0.992 11.793 2.685 928 HD1 PHE 115 HD1 PHE 115 2.684 10.264 2.532 929 HD2 PHE 115 HD2 PHE 115 2.504 12.777 5.958 930 HE1 PHE 115 HE1 PHE 115 4.634 9.104 3.477 931 HE2 PHE 115 HE2 PHE 115 4.453 11.621 6.914 932 HZ PHE 115 HZ PHE 115 5.521 9.782 5.673 933 H LEU 116 HN LEU 116 -0.949 14.303 3.207 934 HA LEU 116 HA LEU 116 -1.163 14.373 0.318 935 1HB LEU 116 HB2 LEU 116 -3.085 14.494 2.601 936 2HB LEU 116 HB1 LEU 116 -3.600 15.094 1.037 937 HG LEU 116 HG LEU 116 -2.378 12.496 0.755 938 1HD1 LEU 116 HD11 LEU 116 -4.872 12.424 2.405 939 2HD1 LEU 116 HD12 LEU 116 -3.284 12.455 3.171 940 3HD1 LEU 116 HD13 LEU 116 -3.712 11.138 2.078 941 1HD2 LEU 116 HD21 LEU 116 -5.181 13.504 0.272 942 2HD2 LEU 116 HD22 LEU 116 -4.502 11.998 -0.347 943 3HD2 LEU 116 HD23 LEU 116 -3.850 13.546 -0.884 944 H ALA 117 HN ALA 117 0.536 16.366 1.383 945 HA ALA 117 HA ALA 117 -1.007 18.844 1.105 946 1HB ALA 117 HB1 ALA 117 1.834 18.426 2.029 947 2HB ALA 117 HB2 ALA 117 0.433 18.683 3.068 948 3HB ALA 117 HB3 ALA 117 0.978 19.968 1.989 949 HA PRO 118 HA PRO 118 0.503 19.643 -2.965 950 1HB PRO 118 HB2 PRO 118 0.778 22.346 -2.946 951 2HB PRO 118 HB1 PRO 118 -0.793 21.539 -2.993 952 1HG PRO 118 HG2 PRO 118 0.661 22.721 -0.657 953 2HG PRO 118 HG1 PRO 118 -1.058 22.840 -1.083 954 1HD PRO 118 HD2 PRO 118 -0.149 21.127 0.800 955 2HD PRO 118 HD1 PRO 118 -1.542 20.750 -0.234 956 H LYS 119 HN LYS 119 2.357 20.178 -4.177 957 HA LYS 119 HA LYS 119 4.771 20.656 -2.557 958 1HB LYS 119 HB2 LYS 119 4.550 18.376 -3.606 959 2HB LYS 119 HB1 LYS 119 4.638 19.160 -5.176 960 1HG LYS 119 HG2 LYS 119 6.855 20.118 -4.427 961 2HG LYS 119 HG1 LYS 119 6.763 19.004 -3.062 962 1HD LYS 119 HD2 LYS 119 6.501 17.139 -4.714 963 2HD LYS 119 HD1 LYS 119 6.832 18.308 -5.994 964 1HE LYS 119 HE2 LYS 119 9.020 18.741 -5.118 965 2HE LYS 119 HE1 LYS 119 8.691 17.769 -3.684 966 1HZ LYS 119 HZ1 LYS 119 8.478 15.822 -5.152 967 2HZ LYS 119 HZ2 LYS 119 10.020 16.515 -5.216 968 3HZ LYS 119 HZ3 LYS 119 8.921 16.780 -6.475 969 H ASP 120 HN ASP 120 3.668 20.920 -5.942 970 HA ASP 120 HA ASP 120 5.513 23.028 -6.520 971 1HB ASP 120 HB2 ASP 120 3.437 21.518 -7.994 972 2HB ASP 120 HB1 ASP 120 3.754 23.150 -8.575 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -6.408 -13.348 -16.104 2 2H GLY 1 HT2 GLY 1 -5.675 -12.430 -14.887 3 3H GLY 1 HT3 GLY 1 -5.828 -11.796 -16.448 4 1HA GLY 1 HA1 GLY 1 -7.501 -10.749 -15.208 5 2HA GLY 1 HA2 GLY 1 -8.300 -11.975 -16.180 6 HA PRO 2 HA PRO 2 -10.179 -13.888 -12.696 7 1HB PRO 2 HB2 PRO 2 -8.826 -16.458 -13.327 8 2HB PRO 2 HB1 PRO 2 -10.549 -16.103 -13.161 9 1HG PRO 2 HG2 PRO 2 -9.464 -16.501 -15.562 10 2HG PRO 2 HG1 PRO 2 -10.723 -15.276 -15.320 11 1HD PRO 2 HD2 PRO 2 -7.769 -14.927 -15.624 12 2HD PRO 2 HD1 PRO 2 -9.094 -13.924 -16.251 13 H VAL 3 HN VAL 3 -6.747 -14.385 -13.133 14 HA VAL 3 HA VAL 3 -6.420 -14.966 -10.277 15 HB VAL 3 HB VAL 3 -5.231 -16.541 -11.585 16 1HG1 VAL 3 HG11 VAL 3 -3.942 -14.258 -13.074 17 2HG1 VAL 3 HG12 VAL 3 -5.250 -15.265 -13.693 18 3HG1 VAL 3 HG13 VAL 3 -3.675 -15.980 -13.348 19 1HG2 VAL 3 HG21 VAL 3 -3.067 -14.588 -10.874 20 2HG2 VAL 3 HG22 VAL 3 -3.057 -16.348 -10.751 21 3HG2 VAL 3 HG23 VAL 3 -4.030 -15.392 -9.634 22 H ASN 4 HN ASN 4 -6.413 -13.114 -9.153 23 HA ASN 4 HA ASN 4 -4.572 -10.989 -10.033 24 1HB ASN 4 HB2 ASN 4 -7.195 -10.611 -9.924 25 2HB ASN 4 HB1 ASN 4 -6.857 -10.372 -8.210 26 1HD2 ASN 4 HD21 ASN 4 -5.990 -8.498 -7.548 27 2HD2 ASN 4 HD22 ASN 4 -5.544 -7.199 -8.595 28 HA PRO 5 HA PRO 5 -2.213 -11.617 -6.345 29 1HB PRO 5 HB2 PRO 5 -2.094 -8.646 -6.201 30 2HB PRO 5 HB1 PRO 5 -0.780 -9.828 -6.194 31 1HG PRO 5 HG2 PRO 5 -1.287 -8.381 -8.368 32 2HG PRO 5 HG1 PRO 5 -0.823 -10.090 -8.499 33 1HD PRO 5 HD2 PRO 5 -3.516 -8.826 -8.788 34 2HD PRO 5 HD1 PRO 5 -2.804 -10.184 -9.683 35 H ALA 6 HN ALA 6 -4.620 -9.001 -6.265 36 HA ALA 6 HA ALA 6 -4.857 -8.922 -3.443 37 1HB ALA 6 HB1 ALA 6 -5.755 -7.007 -4.192 38 2HB ALA 6 HB2 ALA 6 -7.242 -7.949 -4.312 39 3HB ALA 6 HB3 ALA 6 -6.228 -7.717 -5.736 40 H GLU 7 HN GLU 7 -6.472 -10.778 -5.950 41 HA GLU 7 HA GLU 7 -8.546 -11.796 -4.287 42 1HB GLU 7 HB2 GLU 7 -8.159 -11.754 -6.955 43 2HB GLU 7 HB1 GLU 7 -7.650 -13.401 -6.611 44 1HG GLU 7 HG2 GLU 7 -9.875 -13.696 -7.053 45 2HG GLU 7 HG1 GLU 7 -9.891 -13.528 -5.297 46 H ASN 8 HN ASN 8 -5.522 -13.227 -5.510 47 HA ASN 8 HA ASN 8 -5.704 -15.684 -4.225 48 1HB ASN 8 HB2 ASN 8 -4.004 -14.880 -5.984 49 2HB ASN 8 HB1 ASN 8 -3.085 -14.251 -4.620 50 1HD2 ASN 8 HD21 ASN 8 -4.946 -17.227 -5.128 51 2HD2 ASN 8 HD22 ASN 8 -3.655 -18.304 -4.731 52 H PHE 9 HN PHE 9 -4.633 -12.572 -3.026 53 HA PHE 9 HA PHE 9 -3.535 -13.568 -0.585 54 1HB PHE 9 HB2 PHE 9 -2.649 -11.499 -1.097 55 2HB PHE 9 HB1 PHE 9 -4.176 -10.878 -1.713 56 HD1 PHE 9 HD1 PHE 9 -5.444 -9.445 -0.413 57 HD2 PHE 9 HD2 PHE 9 -2.496 -11.882 1.451 58 HE1 PHE 9 HE1 PHE 9 -5.823 -8.269 1.714 59 HE2 PHE 9 HE2 PHE 9 -2.871 -10.712 3.583 60 HZ PHE 9 HZ PHE 9 -4.536 -8.903 3.716 61 H ARG 10 HN ARG 10 -6.579 -11.959 -1.450 62 HA ARG 10 HA ARG 10 -7.743 -11.882 1.070 63 1HB ARG 10 HB2 ARG 10 -8.785 -11.891 -1.719 64 2HB ARG 10 HB1 ARG 10 -9.933 -12.150 -0.413 65 1HG ARG 10 HG2 ARG 10 -9.255 -10.043 0.611 66 2HG ARG 10 HG1 ARG 10 -8.090 -9.784 -0.689 67 1HD ARG 10 HD2 ARG 10 -9.813 -8.576 -1.540 68 2HD ARG 10 HD1 ARG 10 -10.269 -10.159 -2.171 69 HE ARG 10 HE ARG 10 -11.367 -9.355 0.411 70 1HH1 ARG 10 HH11 ARG 10 -11.831 -9.846 -3.006 71 2HH1 ARG 10 HH12 ARG 10 -13.560 -9.855 -2.901 72 1HH2 ARG 10 HH21 ARG 10 -13.641 -9.366 0.560 73 2HH2 ARG 10 HH22 ARG 10 -14.589 -9.581 -0.874 74 H VAL 11 HN VAL 11 -7.689 -14.494 -1.314 75 HA VAL 11 HA VAL 11 -9.446 -16.169 0.233 76 HB VAL 11 HB VAL 11 -8.790 -17.962 -1.377 77 1HG1 VAL 11 HG11 VAL 11 -9.668 -15.376 -2.653 78 2HG1 VAL 11 HG12 VAL 11 -10.715 -16.483 -1.764 79 3HG1 VAL 11 HG13 VAL 11 -9.958 -17.002 -3.270 80 1HG2 VAL 11 HG21 VAL 11 -6.651 -17.551 -2.111 81 2HG2 VAL 11 HG22 VAL 11 -6.927 -15.818 -2.285 82 3HG2 VAL 11 HG23 VAL 11 -7.594 -16.941 -3.469 83 H LEU 12 HN LEU 12 -5.958 -16.028 -0.372 84 HA LEU 12 HA LEU 12 -5.149 -18.297 0.976 85 1HB LEU 12 HB2 LEU 12 -3.909 -15.725 0.256 86 2HB LEU 12 HB1 LEU 12 -3.137 -16.573 1.584 87 HG LEU 12 HG LEU 12 -3.707 -17.974 -1.010 88 1HD1 LEU 12 HD11 LEU 12 -1.581 -17.347 -1.868 89 2HD1 LEU 12 HD12 LEU 12 -1.160 -16.503 -0.378 90 3HD1 LEU 12 HD13 LEU 12 -2.424 -15.863 -1.427 91 1HD2 LEU 12 HD21 LEU 12 -1.538 -18.390 1.038 92 2HD2 LEU 12 HD22 LEU 12 -1.966 -19.447 -0.307 93 3HD2 LEU 12 HD23 LEU 12 -3.080 -19.247 1.046 94 H VAL 13 HN VAL 13 -6.098 -15.178 2.292 95 HA VAL 13 HA VAL 13 -5.363 -16.018 4.991 96 HB VAL 13 HB VAL 13 -6.180 -13.753 5.665 97 1HG1 VAL 13 HG11 VAL 13 -3.916 -14.298 3.857 98 2HG1 VAL 13 HG12 VAL 13 -3.935 -13.619 5.486 99 3HG1 VAL 13 HG13 VAL 13 -4.325 -12.600 4.101 100 1HG2 VAL 13 HG21 VAL 13 -6.167 -12.286 3.363 101 2HG2 VAL 13 HG22 VAL 13 -7.613 -12.793 4.237 102 3HG2 VAL 13 HG23 VAL 13 -7.032 -13.741 2.868 103 H LYS 14 HN LYS 14 -7.916 -16.527 3.004 104 HA LYS 14 HA LYS 14 -9.771 -16.753 5.277 105 1HB LYS 14 HB2 LYS 14 -10.094 -15.030 3.122 106 2HB LYS 14 HB1 LYS 14 -11.120 -16.402 2.724 107 1HG LYS 14 HG2 LYS 14 -11.964 -16.122 5.174 108 2HG LYS 14 HG1 LYS 14 -11.310 -14.492 5.002 109 1HD LYS 14 HD2 LYS 14 -12.888 -15.291 2.700 110 2HD LYS 14 HD1 LYS 14 -13.817 -15.357 4.200 111 1HE LYS 14 HE2 LYS 14 -13.562 -13.094 4.609 112 2HE LYS 14 HE1 LYS 14 -12.123 -12.969 3.598 113 1HZ LYS 14 HZ1 LYS 14 -14.278 -11.989 2.709 114 2HZ LYS 14 HZ2 LYS 14 -14.773 -13.584 2.441 115 3HZ LYS 14 HZ3 LYS 14 -13.397 -12.984 1.663 116 H GLN 15 HN GLN 15 -8.095 -18.825 4.431 117 HA GLN 15 HA GLN 15 -9.997 -20.661 3.119 118 1HB GLN 15 HB2 GLN 15 -7.607 -21.971 2.987 119 2HB GLN 15 HB1 GLN 15 -8.295 -21.003 1.682 120 1HG GLN 15 HG2 GLN 15 -6.643 -19.527 1.804 121 2HG GLN 15 HG1 GLN 15 -6.810 -19.373 3.551 122 1HE2 GLN 15 HE21 GLN 15 -5.463 -21.443 1.029 123 2HE2 GLN 15 HE22 GLN 15 -4.118 -22.003 1.956 124 H LYS 16 HN LYS 16 -7.452 -20.442 5.578 125 HA LYS 16 HA LYS 16 -8.915 -22.293 7.257 126 1HB LYS 16 HB2 LYS 16 -7.599 -23.832 5.944 127 2HB LYS 16 HB1 LYS 16 -6.142 -22.885 6.212 128 1HG LYS 16 HG2 LYS 16 -6.766 -23.389 8.744 129 2HG LYS 16 HG1 LYS 16 -7.524 -24.792 7.988 130 1HD LYS 16 HD2 LYS 16 -4.707 -24.014 7.323 131 2HD LYS 16 HD1 LYS 16 -5.065 -24.973 8.760 132 1HE LYS 16 HE2 LYS 16 -5.688 -26.805 7.553 133 2HE LYS 16 HE1 LYS 16 -6.258 -25.846 6.188 134 1HZ LYS 16 HZ1 LYS 16 -4.367 -26.409 5.198 135 2HZ LYS 16 HZ2 LYS 16 -3.698 -27.031 6.623 136 3HZ LYS 16 HZ3 LYS 16 -3.567 -25.381 6.277 137 H LYS 17 HN LYS 17 -5.487 -21.372 7.241 138 HA LYS 17 HA LYS 17 -5.885 -19.346 9.230 139 1HB LYS 17 HB2 LYS 17 -5.274 -22.069 10.027 140 2HB LYS 17 HB1 LYS 17 -4.039 -20.942 10.570 141 1HG LYS 17 HG2 LYS 17 -5.341 -20.402 12.272 142 2HG LYS 17 HG1 LYS 17 -6.503 -19.725 11.129 143 1HD LYS 17 HD2 LYS 17 -7.086 -22.356 10.923 144 2HD LYS 17 HD1 LYS 17 -6.555 -22.277 12.605 145 1HE LYS 17 HE2 LYS 17 -8.353 -21.080 13.250 146 2HE LYS 17 HE1 LYS 17 -8.380 -20.130 11.766 147 1HZ LYS 17 HZ1 LYS 17 -9.334 -22.933 11.998 148 2HZ LYS 17 HZ2 LYS 17 -9.435 -21.949 10.626 149 3HZ LYS 17 HZ3 LYS 17 -10.333 -21.567 12.007 150 H ALA 18 HN ALA 18 -4.807 -18.146 7.582 151 HA ALA 18 HA ALA 18 -1.964 -18.770 7.209 152 1HB ALA 18 HB1 ALA 18 -3.696 -16.791 5.730 153 2HB ALA 18 HB2 ALA 18 -3.291 -18.416 5.179 154 3HB ALA 18 HB3 ALA 18 -2.024 -17.202 5.349 155 H SER 19 HN SER 19 -3.952 -16.900 9.113 156 HA SER 19 HA SER 19 -3.574 -15.259 10.634 157 1HB SER 19 HB2 SER 19 -1.471 -16.571 11.059 158 2HB SER 19 HB1 SER 19 -0.641 -15.495 9.933 159 HG SER 19 HG SER 19 -1.431 -15.059 12.523 160 H PHE 20 HN PHE 20 -0.766 -14.266 8.778 161 HA PHE 20 HA PHE 20 -1.929 -12.458 7.022 162 1HB PHE 20 HB2 PHE 20 -2.454 -11.551 9.522 163 2HB PHE 20 HB1 PHE 20 -0.905 -10.770 9.226 164 HD1 PHE 20 HD1 PHE 20 -0.854 -8.751 8.122 165 HD2 PHE 20 HD2 PHE 20 -4.230 -11.295 7.626 166 HE1 PHE 20 HE1 PHE 20 -1.984 -6.993 6.824 167 HE2 PHE 20 HE2 PHE 20 -5.365 -9.542 6.327 168 HZ PHE 20 HZ PHE 20 -4.242 -7.388 5.923 169 H GLU 21 HN GLU 21 0.738 -13.044 9.241 170 HA GLU 21 HA GLU 21 2.742 -11.506 8.210 171 1HB GLU 21 HB2 GLU 21 2.726 -13.262 10.142 172 2HB GLU 21 HB1 GLU 21 3.325 -14.359 8.905 173 1HG GLU 21 HG2 GLU 21 4.787 -11.877 8.876 174 2HG GLU 21 HG1 GLU 21 4.812 -12.616 10.477 175 H GLU 22 HN GLU 22 2.197 -14.893 7.192 176 HA GLU 22 HA GLU 22 4.014 -14.927 5.102 177 1HB GLU 22 HB2 GLU 22 1.621 -16.509 5.836 178 2HB GLU 22 HB1 GLU 22 2.165 -16.648 4.170 179 1HG GLU 22 HG2 GLU 22 4.186 -16.920 6.326 180 2HG GLU 22 HG1 GLU 22 3.052 -18.245 6.069 181 H ALA 23 HN ALA 23 0.534 -14.195 4.947 182 HA ALA 23 HA ALA 23 0.387 -13.759 2.187 183 1HB ALA 23 HB1 ALA 23 -1.398 -12.071 3.760 184 2HB ALA 23 HB2 ALA 23 -1.396 -13.762 4.264 185 3HB ALA 23 HB3 ALA 23 -1.768 -13.341 2.592 186 H SER 24 HN SER 24 1.178 -11.545 4.827 187 HA SER 24 HA SER 24 1.163 -9.178 3.279 188 1HB SER 24 HB2 SER 24 2.647 -9.798 5.847 189 2HB SER 24 HB1 SER 24 2.408 -8.188 5.169 190 HG SER 24 HG SER 24 0.664 -8.239 6.349 191 H ASN 25 HN ASN 25 3.847 -11.206 4.452 192 HA ASN 25 HA ASN 25 5.951 -9.885 3.261 193 1HB ASN 25 HB2 ASN 25 5.468 -12.715 4.062 194 2HB ASN 25 HB1 ASN 25 6.875 -12.377 3.059 195 1HD2 ASN 25 HD21 ASN 25 5.234 -11.153 5.954 196 2HD2 ASN 25 HD22 ASN 25 6.679 -10.822 6.841 197 H GLN 26 HN GLN 26 3.988 -12.516 1.886 198 HA GLN 26 HA GLN 26 5.255 -12.655 -0.600 199 1HB GLN 26 HB2 GLN 26 3.054 -13.867 0.627 200 2HB GLN 26 HB1 GLN 26 2.399 -13.105 -0.815 201 1HG GLN 26 HG2 GLN 26 3.739 -14.370 -2.239 202 2HG GLN 26 HG1 GLN 26 4.850 -14.819 -0.944 203 1HE2 GLN 26 HE21 GLN 26 4.673 -16.839 -0.323 204 2HE2 GLN 26 HE22 GLN 26 3.235 -17.797 -0.344 205 H LEU 27 HN LEU 27 2.430 -10.754 0.403 206 HA LEU 27 HA LEU 27 1.840 -9.550 -2.024 207 1HB LEU 27 HB2 LEU 27 1.115 -9.203 0.718 208 2HB LEU 27 HB1 LEU 27 1.425 -7.624 0.015 209 HG LEU 27 HG LEU 27 -0.425 -9.624 -1.269 210 1HD1 LEU 27 HD11 LEU 27 -1.163 -9.077 1.042 211 2HD1 LEU 27 HD12 LEU 27 -2.277 -8.536 -0.213 212 3HD1 LEU 27 HD13 LEU 27 -1.208 -7.376 0.577 213 1HD2 LEU 27 HD21 LEU 27 -1.301 -7.658 -2.404 214 2HD2 LEU 27 HD22 LEU 27 0.430 -7.827 -2.696 215 3HD2 LEU 27 HD23 LEU 27 -0.156 -6.632 -1.538 216 H ILE 28 HN ILE 28 3.973 -8.330 0.572 217 HA ILE 28 HA ILE 28 4.757 -5.977 -0.692 218 HB ILE 28 HB ILE 28 6.057 -7.698 1.393 219 1HG1 ILE 28 HG12 ILE 28 5.693 -4.976 2.142 220 2HG1 ILE 28 HG11 ILE 28 4.217 -5.511 1.337 221 1HG2 ILE 28 HG21 ILE 28 8.000 -6.902 0.402 222 2HG2 ILE 28 HG22 ILE 28 7.667 -5.690 1.641 223 3HG2 ILE 28 HG23 ILE 28 7.261 -5.364 -0.045 224 1HD1 ILE 28 HD11 ILE 28 5.107 -7.517 3.174 225 2HD1 ILE 28 HD12 ILE 28 3.589 -6.620 3.139 226 3HD1 ILE 28 HD13 ILE 28 4.986 -5.956 3.986 227 H ASN 29 HN ASN 29 6.151 -9.243 -0.884 228 HA ASN 29 HA ASN 29 8.422 -8.576 -2.386 229 1HB ASN 29 HB2 ASN 29 7.523 -10.858 -1.251 230 2HB ASN 29 HB1 ASN 29 7.129 -11.188 -2.936 231 1HD2 ASN 29 HD21 ASN 29 9.726 -10.361 -0.725 232 2HD2 ASN 29 HD22 ASN 29 11.006 -10.995 -1.696 233 H HIS 30 HN HIS 30 5.171 -9.588 -3.381 234 HA HIS 30 HA HIS 30 5.604 -9.649 -6.140 235 1HB HIS 30 HB2 HIS 30 3.389 -9.886 -4.394 236 2HB HIS 30 HB1 HIS 30 2.969 -8.642 -5.571 237 HD1 HIS 30 HD1 HIS 30 4.672 -12.047 -5.854 238 HD2 HIS 30 HD2 HIS 30 1.643 -9.806 -7.605 239 HE1 HIS 30 HE1 HIS 30 3.752 -13.486 -7.701 240 HE2 HIS 30 HE2 HIS 30 1.864 -12.144 -8.690 241 H ILE 31 HN ILE 31 4.498 -7.007 -4.050 242 HA ILE 31 HA ILE 31 4.168 -5.046 -6.002 243 HB ILE 31 HB ILE 31 5.095 -4.690 -3.145 244 1HG1 ILE 31 HG12 ILE 31 2.324 -4.308 -4.284 245 2HG1 ILE 31 HG11 ILE 31 2.861 -5.832 -3.580 246 1HG2 ILE 31 HG21 ILE 31 5.641 -2.691 -4.277 247 2HG2 ILE 31 HG22 ILE 31 4.111 -2.380 -3.457 248 3HG2 ILE 31 HG23 ILE 31 4.133 -2.706 -5.189 249 1HD1 ILE 31 HD11 ILE 31 2.009 -3.367 -2.291 250 2HD1 ILE 31 HD12 ILE 31 3.509 -4.022 -1.635 251 3HD1 ILE 31 HD13 ILE 31 2.054 -5.017 -1.673 252 H GLU 32 HN GLU 32 7.043 -5.774 -4.029 253 HA GLU 32 HA GLU 32 8.765 -3.880 -5.090 254 1HB GLU 32 HB2 GLU 32 9.254 -6.620 -3.945 255 2HB GLU 32 HB1 GLU 32 10.580 -5.603 -4.491 256 1HG GLU 32 HG2 GLU 32 9.774 -3.838 -2.926 257 2HG GLU 32 HG1 GLU 32 8.607 -5.005 -2.302 258 H GLN 33 HN GLN 33 8.049 -7.152 -6.242 259 HA GLN 33 HA GLN 33 9.923 -7.252 -8.320 260 1HB GLN 33 HB2 GLN 33 7.310 -8.625 -7.799 261 2HB GLN 33 HB1 GLN 33 8.104 -8.834 -9.354 262 1HG GLN 33 HG2 GLN 33 9.751 -9.246 -6.933 263 2HG GLN 33 HG1 GLN 33 8.520 -10.455 -7.291 264 1HE2 GLN 33 HE21 GLN 33 11.651 -9.492 -7.864 265 2HE2 GLN 33 HE22 GLN 33 11.983 -10.460 -9.255 266 H PHE 34 HN PHE 34 6.537 -6.203 -8.310 267 HA PHE 34 HA PHE 34 6.270 -5.535 -10.981 268 1HB PHE 34 HB2 PHE 34 4.978 -4.580 -8.466 269 2HB PHE 34 HB1 PHE 34 4.681 -3.676 -9.948 270 HD1 PHE 34 HD1 PHE 34 4.035 -5.199 -12.022 271 HD2 PHE 34 HD2 PHE 34 3.545 -6.289 -7.938 272 HE1 PHE 34 HE1 PHE 34 2.308 -6.827 -12.668 273 HE2 PHE 34 HE2 PHE 34 1.818 -7.920 -8.577 274 HZ PHE 34 HZ PHE 34 1.197 -8.191 -10.945 275 H LEU 35 HN LEU 35 7.868 -3.778 -8.398 276 HA LEU 35 HA LEU 35 8.109 -1.304 -9.773 277 1HB LEU 35 HB2 LEU 35 9.446 -2.540 -7.396 278 2HB LEU 35 HB1 LEU 35 10.086 -1.056 -8.082 279 HG LEU 35 HG LEU 35 7.183 -1.090 -7.488 280 1HD1 LEU 35 HD11 LEU 35 9.312 -1.125 -5.362 281 2HD1 LEU 35 HD12 LEU 35 7.908 -2.182 -5.512 282 3HD1 LEU 35 HD13 LEU 35 7.690 -0.481 -5.104 283 1HD2 LEU 35 HD21 LEU 35 7.455 1.168 -7.267 284 2HD2 LEU 35 HD22 LEU 35 8.784 0.812 -8.370 285 3HD2 LEU 35 HD23 LEU 35 9.101 1.022 -6.648 286 H ASP 36 HN ASP 36 9.683 -4.295 -10.101 287 HA ASP 36 HA ASP 36 12.226 -3.389 -11.015 288 1HB ASP 36 HB2 ASP 36 11.577 -5.744 -10.189 289 2HB ASP 36 HB1 ASP 36 10.967 -6.004 -11.821 290 H THR 37 HN THR 37 9.172 -3.201 -12.346 291 HA THR 37 HA THR 37 10.285 -2.806 -15.039 292 HB THR 37 HB THR 37 7.733 -3.387 -15.646 293 HG1 THR 37 HG1 THR 37 7.258 -5.319 -14.323 294 1HG2 THR 37 HG21 THR 37 9.785 -5.552 -15.198 295 2HG2 THR 37 HG22 THR 37 9.852 -4.406 -16.536 296 3HG2 THR 37 HG23 THR 37 8.494 -5.525 -16.399 297 H ASN 38 HN ASN 38 10.215 -0.720 -15.472 298 HA ASN 38 HA ASN 38 8.422 1.076 -14.130 299 1HB ASN 38 HB2 ASN 38 9.510 2.788 -15.664 300 2HB ASN 38 HB1 ASN 38 10.591 1.933 -14.566 301 1HD2 ASN 38 HD21 ASN 38 9.848 2.668 -17.796 302 2HD2 ASN 38 HD22 ASN 38 11.079 1.713 -18.546 303 H GLU 39 HN GLU 39 6.651 -0.461 -15.194 304 HA GLU 39 HA GLU 39 5.728 0.893 -17.643 305 1HB GLU 39 HB2 GLU 39 5.534 -1.977 -16.786 306 2HB GLU 39 HB1 GLU 39 4.352 -1.303 -17.899 307 1HG GLU 39 HG2 GLU 39 7.269 -1.006 -18.454 308 2HG GLU 39 HG1 GLU 39 6.441 -2.520 -18.818 309 H THR 40 HN THR 40 3.644 1.628 -17.715 310 HA THR 40 HA THR 40 2.386 2.313 -15.310 311 HB THR 40 HB THR 40 0.892 2.178 -17.915 312 HG1 THR 40 HG1 THR 40 2.456 3.375 -18.704 313 1HG2 THR 40 HG21 THR 40 -0.160 4.212 -17.063 314 2HG2 THR 40 HG22 THR 40 0.869 4.155 -15.631 315 3HG2 THR 40 HG23 THR 40 -0.328 2.890 -15.908 316 HA PRO 41 HA PRO 41 -0.868 -1.207 -16.428 317 1HB PRO 41 HB2 PRO 41 0.988 -3.105 -17.759 318 2HB PRO 41 HB1 PRO 41 -0.698 -2.726 -18.135 319 1HG PRO 41 HG2 PRO 41 1.278 -1.833 -19.683 320 2HG PRO 41 HG1 PRO 41 -0.141 -0.826 -19.340 321 1HD PRO 41 HD2 PRO 41 2.612 -0.686 -18.177 322 2HD PRO 41 HD1 PRO 41 1.515 0.631 -18.641 323 H TYR 42 HN TYR 42 2.496 -1.655 -15.620 324 HA TYR 42 HA TYR 42 1.970 -3.939 -13.912 325 1HB TYR 42 HB2 TYR 42 4.432 -2.402 -14.683 326 2HB TYR 42 HB1 TYR 42 4.466 -3.504 -13.311 327 HD1 TYR 42 HD1 TYR 42 4.910 -5.760 -13.659 328 HD2 TYR 42 HD2 TYR 42 3.579 -3.388 -16.931 329 HE1 TYR 42 HE1 TYR 42 5.300 -7.652 -15.182 330 HE2 TYR 42 HE2 TYR 42 3.964 -5.273 -18.462 331 HH TYR 42 HH TYR 42 4.079 -7.799 -18.281 332 H PHE 43 HN PHE 43 2.641 -0.498 -13.592 333 HA PHE 43 HA PHE 43 2.908 -0.543 -10.753 334 1HB PHE 43 HB2 PHE 43 2.801 1.520 -12.867 335 2HB PHE 43 HB1 PHE 43 2.253 2.034 -11.273 336 HD1 PHE 43 HD1 PHE 43 3.815 1.623 -9.301 337 HD2 PHE 43 HD2 PHE 43 5.071 1.413 -13.360 338 HE1 PHE 43 HE1 PHE 43 6.153 1.915 -8.588 339 HE2 PHE 43 HE2 PHE 43 7.411 1.704 -12.656 340 HZ PHE 43 HZ PHE 43 7.954 1.955 -10.267 341 H MET 44 HN MET 44 0.244 -0.461 -12.935 342 HA MET 44 HA MET 44 -1.690 0.680 -11.203 343 1HB MET 44 HB2 MET 44 -1.823 -1.019 -13.675 344 2HB MET 44 HB1 MET 44 -3.285 -0.690 -12.754 345 1HG MET 44 HG2 MET 44 -2.899 1.716 -13.028 346 2HG MET 44 HG1 MET 44 -1.464 1.364 -13.988 347 1HE MET 44 HE1 MET 44 -4.063 2.702 -16.625 348 2HE MET 44 HE2 MET 44 -2.441 2.904 -15.964 349 3HE MET 44 HE3 MET 44 -3.851 3.236 -14.958 350 H LYS 45 HN LYS 45 -0.337 -2.491 -11.593 351 HA LYS 45 HA LYS 45 -2.319 -3.858 -10.036 352 1HB LYS 45 HB2 LYS 45 -0.524 -4.723 -11.825 353 2HB LYS 45 HB1 LYS 45 0.411 -4.997 -10.359 354 1HG LYS 45 HG2 LYS 45 -0.717 -6.851 -9.932 355 2HG LYS 45 HG1 LYS 45 -2.253 -5.983 -10.000 356 1HD LYS 45 HD2 LYS 45 -1.916 -6.139 -12.577 357 2HD LYS 45 HD1 LYS 45 -0.800 -7.443 -12.170 358 1HE LYS 45 HE2 LYS 45 -2.455 -8.832 -11.485 359 2HE LYS 45 HE1 LYS 45 -3.445 -7.515 -10.855 360 1HZ LYS 45 HZ1 LYS 45 -4.500 -7.258 -12.808 361 2HZ LYS 45 HZ2 LYS 45 -4.021 -8.857 -13.077 362 3HZ LYS 45 HZ3 LYS 45 -3.125 -7.585 -13.739 363 H SER 46 HN SER 46 0.641 -2.142 -9.403 364 HA SER 46 HA SER 46 1.216 -3.239 -6.857 365 1HB SER 46 HB2 SER 46 1.875 -0.441 -7.806 366 2HB SER 46 HB1 SER 46 2.722 -1.384 -6.577 367 HG SER 46 HG SER 46 2.826 -2.905 -8.628 368 H ILE 47 HN ILE 47 -0.443 -0.250 -7.850 369 HA ILE 47 HA ILE 47 -1.228 0.569 -5.291 370 HB ILE 47 HB ILE 47 -2.748 1.040 -7.860 371 1HG1 ILE 47 HG12 ILE 47 -0.933 3.121 -6.818 372 2HG1 ILE 47 HG11 ILE 47 -0.137 1.687 -7.462 373 1HG2 ILE 47 HG21 ILE 47 -4.044 1.641 -5.926 374 2HG2 ILE 47 HG22 ILE 47 -3.472 3.114 -6.708 375 3HG2 ILE 47 HG23 ILE 47 -2.685 2.531 -5.242 376 1HD1 ILE 47 HD11 ILE 47 -1.383 1.983 -9.563 377 2HD1 ILE 47 HD12 ILE 47 -0.336 3.350 -9.178 378 3HD1 ILE 47 HD13 ILE 47 -2.076 3.468 -8.911 379 H ASP 48 HN ASP 48 -2.756 -1.568 -7.654 380 HA ASP 48 HA ASP 48 -5.193 -1.955 -6.317 381 1HB ASP 48 HB2 ASP 48 -3.977 -2.947 -8.635 382 2HB ASP 48 HB1 ASP 48 -4.262 -4.371 -7.635 383 H CYS 49 HN CYS 49 -2.015 -3.128 -5.732 384 HA CYS 49 HA CYS 49 -2.839 -5.266 -3.966 385 1HB CYS 49 HB2 CYS 49 -0.239 -4.190 -4.959 386 2HB CYS 49 HB1 CYS 49 -0.232 -5.073 -3.434 387 HG CYS 49 HG CYS 49 0.309 -6.446 -6.116 388 H ILE 50 HN ILE 50 -1.383 -2.032 -3.692 389 HA ILE 50 HA ILE 50 -1.163 -2.023 -0.887 390 HB ILE 50 HB ILE 50 -0.255 -0.383 -2.803 391 1HG1 ILE 50 HG12 ILE 50 -0.801 0.720 -0.051 392 2HG1 ILE 50 HG11 ILE 50 0.357 -0.583 -0.325 393 1HG2 ILE 50 HG21 ILE 50 -2.306 1.401 -1.568 394 2HG2 ILE 50 HG22 ILE 50 -2.700 0.466 -3.010 395 3HG2 ILE 50 HG23 ILE 50 -1.368 1.620 -3.046 396 1HD1 ILE 50 HD11 ILE 50 1.697 0.829 -1.717 397 2HD1 ILE 50 HD12 ILE 50 1.381 1.660 -0.195 398 3HD1 ILE 50 HD13 ILE 50 0.491 2.114 -1.648 399 H ARG 51 HN ARG 51 -3.814 -1.421 -3.055 400 HA ARG 51 HA ARG 51 -5.470 -0.091 -1.119 401 1HB ARG 51 HB2 ARG 51 -5.956 -1.227 -3.864 402 2HB ARG 51 HB1 ARG 51 -7.279 -0.621 -2.878 403 1HG ARG 51 HG2 ARG 51 -5.264 1.353 -2.858 404 2HG ARG 51 HG1 ARG 51 -5.468 0.824 -4.529 405 1HD ARG 51 HD2 ARG 51 -7.684 1.722 -2.691 406 2HD ARG 51 HD1 ARG 51 -6.949 2.700 -3.961 407 HE ARG 51 HE ARG 51 -7.771 0.767 -5.460 408 1HH1 ARG 51 HH11 ARG 51 -9.410 1.992 -2.640 409 2HH1 ARG 51 HH12 ARG 51 -10.988 1.568 -3.214 410 1HH2 ARG 51 HH21 ARG 51 -9.844 0.204 -6.222 411 2HH2 ARG 51 HH22 ARG 51 -11.234 0.551 -5.250 412 H ALA 52 HN ALA 52 -4.913 -3.363 -2.162 413 HA ALA 52 HA ALA 52 -7.258 -4.455 -0.903 414 1HB ALA 52 HB1 ALA 52 -4.772 -5.876 -1.862 415 2HB ALA 52 HB2 ALA 52 -6.194 -5.538 -2.851 416 3HB ALA 52 HB3 ALA 52 -6.321 -6.621 -1.463 417 H PHE 53 HN PHE 53 -3.893 -3.944 -0.103 418 HA PHE 53 HA PHE 53 -4.021 -5.421 2.367 419 1HB PHE 53 HB2 PHE 53 -1.938 -5.092 0.955 420 2HB PHE 53 HB1 PHE 53 -1.904 -3.431 1.543 421 HD1 PHE 53 HD1 PHE 53 -1.553 -6.961 2.489 422 HD2 PHE 53 HD2 PHE 53 -1.206 -2.918 3.765 423 HE1 PHE 53 HE1 PHE 53 -0.324 -7.701 4.487 424 HE2 PHE 53 HE2 PHE 53 0.024 -3.650 5.766 425 HZ PHE 53 HZ PHE 53 0.468 -6.045 6.129 426 H ARG 54 HN ARG 54 -3.790 -1.981 1.489 427 HA ARG 54 HA ARG 54 -3.795 -0.855 4.005 428 1HB ARG 54 HB2 ARG 54 -3.591 0.296 1.733 429 2HB ARG 54 HB1 ARG 54 -5.349 0.315 1.706 430 1HG ARG 54 HG2 ARG 54 -4.104 1.388 4.148 431 2HG ARG 54 HG1 ARG 54 -3.831 2.314 2.669 432 1HD ARG 54 HD2 ARG 54 -6.195 2.507 2.287 433 2HD ARG 54 HD1 ARG 54 -6.546 1.425 3.638 434 HE ARG 54 HE ARG 54 -5.065 3.622 4.574 435 1HH1 ARG 54 HH11 ARG 54 -8.226 2.853 3.327 436 2HH1 ARG 54 HH12 ARG 54 -9.017 4.132 4.186 437 1HH2 ARG 54 HH21 ARG 54 -6.096 5.307 5.708 438 2HH2 ARG 54 HH22 ARG 54 -7.805 5.528 5.539 439 H GLU 55 HN GLU 55 -6.448 -2.313 2.282 440 HA GLU 55 HA GLU 55 -8.448 -1.235 4.070 441 1HB GLU 55 HB2 GLU 55 -8.679 -1.909 1.545 442 2HB GLU 55 HB1 GLU 55 -8.969 -3.513 2.201 443 1HG GLU 55 HG2 GLU 55 -10.811 -2.586 3.557 444 2HG GLU 55 HG1 GLU 55 -10.550 -1.021 2.789 445 H GLU 56 HN GLU 56 -7.184 -4.489 3.338 446 HA GLU 56 HA GLU 56 -8.623 -5.801 5.377 447 1HB GLU 56 HB2 GLU 56 -6.183 -6.509 3.775 448 2HB GLU 56 HB1 GLU 56 -6.761 -7.568 5.059 449 1HG GLU 56 HG2 GLU 56 -8.980 -6.885 3.439 450 2HG GLU 56 HG1 GLU 56 -7.658 -7.362 2.375 451 H ALA 57 HN ALA 57 -5.702 -3.934 5.467 452 HA ALA 57 HA ALA 57 -4.832 -5.070 7.990 453 1HB ALA 57 HB1 ALA 57 -2.893 -3.744 7.773 454 2HB ALA 57 HB2 ALA 57 -3.663 -2.676 6.600 455 3HB ALA 57 HB3 ALA 57 -3.260 -4.333 6.152 456 H ILE 58 HN ILE 58 -5.638 -1.783 6.847 457 HA ILE 58 HA ILE 58 -5.714 -0.565 9.347 458 HB ILE 58 HB ILE 58 -6.947 0.091 6.709 459 1HG1 ILE 58 HG12 ILE 58 -5.585 2.170 7.072 460 2HG1 ILE 58 HG11 ILE 58 -5.004 1.462 8.578 461 1HG2 ILE 58 HG21 ILE 58 -7.758 2.253 7.793 462 2HG2 ILE 58 HG22 ILE 58 -7.654 1.383 9.324 463 3HG2 ILE 58 HG23 ILE 58 -8.731 0.804 8.052 464 1HD1 ILE 58 HD11 ILE 58 -4.158 -0.467 7.183 465 2HD1 ILE 58 HD12 ILE 58 -3.329 1.076 6.980 466 3HD1 ILE 58 HD13 ILE 58 -4.495 0.536 5.771 467 H LYS 59 HN LYS 59 -8.302 -2.186 7.547 468 HA LYS 59 HA LYS 59 -10.466 -1.588 9.131 469 1HB LYS 59 HB2 LYS 59 -9.731 -3.955 7.473 470 2HB LYS 59 HB1 LYS 59 -11.122 -4.091 8.538 471 1HG LYS 59 HG2 LYS 59 -11.501 -1.666 7.267 472 2HG LYS 59 HG1 LYS 59 -10.856 -2.720 6.005 473 1HD LYS 59 HD2 LYS 59 -12.609 -4.266 6.249 474 2HD LYS 59 HD1 LYS 59 -13.096 -3.593 7.806 475 1HE LYS 59 HE2 LYS 59 -14.510 -2.205 6.804 476 2HE LYS 59 HE1 LYS 59 -13.206 -1.542 5.819 477 1HZ LYS 59 HZ1 LYS 59 -14.796 -2.388 4.330 478 2HZ LYS 59 HZ2 LYS 59 -14.975 -3.833 5.190 479 3HZ LYS 59 HZ3 LYS 59 -13.547 -3.530 4.337 480 H PHE 60 HN PHE 60 -8.134 -4.261 9.598 481 HA PHE 60 HA PHE 60 -8.142 -4.034 12.390 482 1HB PHE 60 HB2 PHE 60 -9.329 -6.155 12.988 483 2HB PHE 60 HB1 PHE 60 -10.387 -4.874 12.408 484 HD1 PHE 60 HD1 PHE 60 -9.297 -8.257 11.966 485 HD2 PHE 60 HD2 PHE 60 -11.217 -4.996 10.023 486 HE1 PHE 60 HE1 PHE 60 -10.253 -9.809 10.316 487 HE2 PHE 60 HE2 PHE 60 -12.175 -6.542 8.366 488 HZ PHE 60 HZ PHE 60 -11.694 -8.953 8.512 489 H SER 61 HN SER 61 -5.929 -4.220 11.988 490 HA SER 61 HA SER 61 -4.875 -6.809 12.250 491 1HB SER 61 HB2 SER 61 -5.512 -6.769 9.774 492 2HB SER 61 HB1 SER 61 -4.198 -5.611 9.571 493 HG SER 61 HG SER 61 -3.734 -7.959 9.277 494 H GLU 62 HN GLU 62 -3.068 -4.709 10.192 495 HA GLU 62 HA GLU 62 -1.611 -3.656 12.515 496 1HB GLU 62 HB2 GLU 62 -0.476 -5.115 10.141 497 2HB GLU 62 HB1 GLU 62 0.504 -4.010 11.098 498 1HG GLU 62 HG2 GLU 62 -1.006 -6.194 12.454 499 2HG GLU 62 HG1 GLU 62 0.504 -6.557 11.617 500 H GLU 63 HN GLU 63 -3.211 -1.923 11.676 501 HA GLU 63 HA GLU 63 -2.817 -0.492 9.347 502 1HB GLU 63 HB2 GLU 63 -3.712 1.471 10.599 503 2HB GLU 63 HB1 GLU 63 -4.671 0.009 10.790 504 1HG GLU 63 HG2 GLU 63 -3.391 -0.369 12.949 505 2HG GLU 63 HG1 GLU 63 -2.817 1.291 12.769 506 H GLN 64 HN GLN 64 -0.924 -0.428 12.304 507 HA GLN 64 HA GLN 64 0.570 1.922 11.689 508 1HB GLN 64 HB2 GLN 64 1.122 -0.387 13.560 509 2HB GLN 64 HB1 GLN 64 2.141 1.040 13.449 510 1HG GLN 64 HG2 GLN 64 0.134 2.414 14.028 511 2HG GLN 64 HG1 GLN 64 -0.726 0.906 14.338 512 1HE2 GLN 64 HE21 GLN 64 -0.612 0.080 16.308 513 2HE2 GLN 64 HE22 GLN 64 0.516 0.541 17.533 514 H ARG 65 HN ARG 65 0.721 -1.322 10.607 515 HA ARG 65 HA ARG 65 3.496 -1.339 9.884 516 1HB ARG 65 HB2 ARG 65 2.411 -3.457 10.252 517 2HB ARG 65 HB1 ARG 65 1.163 -3.083 9.073 518 1HG ARG 65 HG2 ARG 65 2.882 -3.105 7.302 519 2HG ARG 65 HG1 ARG 65 4.075 -3.595 8.507 520 1HD ARG 65 HD2 ARG 65 2.131 -5.428 8.942 521 2HD ARG 65 HD1 ARG 65 1.933 -5.147 7.211 522 HE ARG 65 HE ARG 65 4.337 -5.720 7.006 523 1HH1 ARG 65 HH11 ARG 65 2.531 -6.802 9.783 524 2HH1 ARG 65 HH12 ARG 65 3.569 -8.154 10.091 525 1HH2 ARG 65 HH21 ARG 65 5.707 -7.498 7.404 526 2HH2 ARG 65 HH22 ARG 65 5.374 -8.549 8.740 527 H PHE 66 HN PHE 66 0.648 0.001 8.628 528 HA PHE 66 HA PHE 66 1.590 0.134 5.886 529 1HB PHE 66 HB2 PHE 66 -0.874 -0.161 6.633 530 2HB PHE 66 HB1 PHE 66 -0.828 1.575 6.943 531 HD1 PHE 66 HD1 PHE 66 -1.002 -1.014 4.420 532 HD2 PHE 66 HD2 PHE 66 -0.412 3.144 5.089 533 HE1 PHE 66 HE1 PHE 66 -1.440 -0.572 2.042 534 HE2 PHE 66 HE2 PHE 66 -0.856 3.595 2.715 535 HZ PHE 66 HZ PHE 66 -1.370 1.737 1.188 536 H ASN 67 HN ASN 67 0.887 2.361 8.579 537 HA ASN 67 HA ASN 67 1.815 4.673 7.195 538 1HB ASN 67 HB2 ASN 67 2.098 5.472 9.720 539 2HB ASN 67 HB1 ASN 67 0.513 5.351 8.970 540 1HD2 ASN 67 HD21 ASN 67 -0.937 3.978 9.801 541 2HD2 ASN 67 HD22 ASN 67 -0.641 2.954 11.159 542 H ASN 68 HN ASN 68 3.268 2.043 8.707 543 HA ASN 68 HA ASN 68 5.781 3.250 9.397 544 1HB ASN 68 HB2 ASN 68 5.219 1.201 10.513 545 2HB ASN 68 HB1 ASN 68 4.946 0.371 8.983 546 1HD2 ASN 68 HD21 ASN 68 6.625 -0.546 7.941 547 2HD2 ASN 68 HD22 ASN 68 8.250 -0.548 8.528 548 H PHE 69 HN PHE 69 4.838 0.976 6.831 549 HA PHE 69 HA PHE 69 7.144 1.344 5.264 550 1HB PHE 69 HB2 PHE 69 5.282 -0.491 5.168 551 2HB PHE 69 HB1 PHE 69 4.503 0.615 4.039 552 HD1 PHE 69 HD1 PHE 69 7.371 -1.589 4.599 553 HD2 PHE 69 HD2 PHE 69 5.420 1.009 1.850 554 HE1 PHE 69 HE1 PHE 69 8.767 -2.475 2.777 555 HE2 PHE 69 HE2 PHE 69 6.811 0.126 0.023 556 HZ PHE 69 HZ PHE 69 8.487 -1.618 0.486 557 H LEU 70 HN LEU 70 4.171 3.128 5.496 558 HA LEU 70 HA LEU 70 4.318 4.537 3.052 559 1HB LEU 70 HB2 LEU 70 2.872 4.897 5.627 560 2HB LEU 70 HB1 LEU 70 3.000 6.296 4.577 561 HG LEU 70 HG LEU 70 1.599 3.688 4.038 562 1HD1 LEU 70 HD11 LEU 70 -0.273 4.844 4.379 563 2HD1 LEU 70 HD12 LEU 70 0.279 6.188 3.381 564 3HD1 LEU 70 HD13 LEU 70 0.752 6.097 5.077 565 1HD2 LEU 70 HD21 LEU 70 1.114 4.619 1.771 566 2HD2 LEU 70 HD22 LEU 70 2.790 4.126 2.010 567 3HD2 LEU 70 HD23 LEU 70 2.359 5.836 2.063 568 H LYS 71 HN LYS 71 5.318 5.446 6.345 569 HA LYS 71 HA LYS 71 6.357 7.952 5.792 570 1HB LYS 71 HB2 LYS 71 6.754 5.917 7.894 571 2HB LYS 71 HB1 LYS 71 8.062 7.080 7.719 572 1HG LYS 71 HG2 LYS 71 6.447 8.912 7.986 573 2HG LYS 71 HG1 LYS 71 5.162 7.722 8.219 574 1HD LYS 71 HD2 LYS 71 6.592 6.807 10.126 575 2HD LYS 71 HD1 LYS 71 7.524 8.299 9.988 576 1HE LYS 71 HE2 LYS 71 5.584 9.624 10.471 577 2HE LYS 71 HE1 LYS 71 4.541 8.203 10.409 578 1HZ LYS 71 HZ1 LYS 71 5.041 8.872 12.685 579 2HZ LYS 71 HZ2 LYS 71 6.695 8.660 12.402 580 3HZ LYS 71 HZ3 LYS 71 5.653 7.329 12.354 581 H ALA 72 HN ALA 72 7.866 4.768 5.483 582 HA ALA 72 HA ALA 72 10.429 5.804 4.732 583 1HB ALA 72 HB1 ALA 72 11.030 3.522 4.278 584 2HB ALA 72 HB2 ALA 72 9.335 3.035 4.257 585 3HB ALA 72 HB3 ALA 72 10.080 3.571 5.763 586 H LEU 73 HN LEU 73 7.664 4.488 2.965 587 HA LEU 73 HA LEU 73 8.772 4.462 0.403 588 1HB LEU 73 HB2 LEU 73 6.639 3.390 0.991 589 2HB LEU 73 HB1 LEU 73 5.906 4.970 1.212 590 HG LEU 73 HG LEU 73 6.572 5.359 -1.273 591 1HD1 LEU 73 HD11 LEU 73 6.773 2.373 -1.006 592 2HD1 LEU 73 HD12 LEU 73 7.941 3.492 -1.707 593 3HD1 LEU 73 HD13 LEU 73 6.419 3.170 -2.539 594 1HD2 LEU 73 HD21 LEU 73 4.463 3.940 -1.914 595 2HD2 LEU 73 HD22 LEU 73 4.310 5.364 -0.884 596 3HD2 LEU 73 HD23 LEU 73 4.318 3.753 -0.166 597 H GLN 74 HN GLN 74 7.078 7.008 2.161 598 HA GLN 74 HA GLN 74 6.933 8.914 0.135 599 1HB GLN 74 HB2 GLN 74 5.821 9.011 2.397 600 2HB GLN 74 HB1 GLN 74 7.368 9.520 3.058 601 1HG GLN 74 HG2 GLN 74 6.503 11.090 0.755 602 2HG GLN 74 HG1 GLN 74 5.407 11.178 2.133 603 1HE2 GLN 74 HE21 GLN 74 7.276 13.146 0.910 604 2HE2 GLN 74 HE22 GLN 74 8.260 13.701 2.218 605 H GLU 75 HN GLU 75 9.418 8.521 2.658 606 HA GLU 75 HA GLU 75 11.103 10.574 1.794 607 1HB GLU 75 HB2 GLU 75 11.309 8.254 3.575 608 2HB GLU 75 HB1 GLU 75 12.839 8.728 2.851 609 1HG GLU 75 HG2 GLU 75 12.454 11.035 3.668 610 2HG GLU 75 HG1 GLU 75 11.005 10.459 4.490 611 H LYS 76 HN LYS 76 10.594 7.400 0.517 612 HA LYS 76 HA LYS 76 13.065 7.338 -0.982 613 1HB LYS 76 HB2 LYS 76 10.761 5.518 -0.565 614 2HB LYS 76 HB1 LYS 76 11.615 5.363 -2.094 615 1HG LYS 76 HG2 LYS 76 13.710 5.007 -0.891 616 2HG LYS 76 HG1 LYS 76 12.853 5.163 0.645 617 1HD LYS 76 HD2 LYS 76 11.430 3.231 -0.035 618 2HD LYS 76 HD1 LYS 76 12.457 3.034 -1.456 619 1HE LYS 76 HE2 LYS 76 13.823 3.176 1.163 620 2HE LYS 76 HE1 LYS 76 12.868 1.728 0.848 621 1HZ LYS 76 HZ1 LYS 76 14.124 1.373 -1.177 622 2HZ LYS 76 HZ2 LYS 76 15.169 1.459 0.149 623 3HZ LYS 76 HZ3 LYS 76 15.027 2.777 -0.902 624 H VAL 77 HN VAL 77 9.608 7.576 -1.752 625 HA VAL 77 HA VAL 77 9.922 7.948 -4.522 626 HB VAL 77 HB VAL 77 7.763 7.329 -3.706 627 1HG1 VAL 77 HG11 VAL 77 6.566 8.370 -2.059 628 2HG1 VAL 77 HG12 VAL 77 7.277 9.950 -2.390 629 3HG1 VAL 77 HG13 VAL 77 8.206 8.729 -1.521 630 1HG2 VAL 77 HG21 VAL 77 7.253 10.152 -4.505 631 2HG2 VAL 77 HG22 VAL 77 6.457 8.669 -5.033 632 3HG2 VAL 77 HG23 VAL 77 8.066 9.070 -5.635 633 H GLU 78 HN GLU 78 9.886 10.205 -1.824 634 HA GLU 78 HA GLU 78 9.663 12.603 -3.214 635 1HB GLU 78 HB2 GLU 78 10.515 11.760 -0.569 636 2HB GLU 78 HB1 GLU 78 11.476 13.112 -1.149 637 1HG GLU 78 HG2 GLU 78 9.097 14.075 -1.769 638 2HG GLU 78 HG1 GLU 78 8.589 12.977 -0.486 639 H ILE 79 HN ILE 79 12.618 10.880 -2.212 640 HA ILE 79 HA ILE 79 14.421 12.571 -3.535 641 HB ILE 79 HB ILE 79 14.757 9.625 -2.952 642 1HG1 ILE 79 HG12 ILE 79 14.203 10.945 -0.947 643 2HG1 ILE 79 HG11 ILE 79 15.862 10.352 -0.894 644 1HG2 ILE 79 HG21 ILE 79 16.713 11.780 -3.701 645 2HG2 ILE 79 HG22 ILE 79 16.444 10.221 -4.481 646 3HG2 ILE 79 HG23 ILE 79 17.207 10.292 -2.893 647 1HD1 ILE 79 HD11 ILE 79 15.686 12.646 -0.093 648 2HD1 ILE 79 HD12 ILE 79 15.021 13.142 -1.649 649 3HD1 ILE 79 HD13 ILE 79 16.678 12.546 -1.548 650 H LYS 80 HN LYS 80 14.406 9.247 -4.636 651 HA LYS 80 HA LYS 80 13.312 9.848 -7.224 652 1HB LYS 80 HB2 LYS 80 15.580 10.809 -7.421 653 2HB LYS 80 HB1 LYS 80 16.266 9.244 -7.003 654 1HG LYS 80 HG2 LYS 80 15.973 8.423 -9.067 655 2HG LYS 80 HG1 LYS 80 14.396 9.192 -9.260 656 1HD LYS 80 HD2 LYS 80 16.094 11.339 -9.265 657 2HD LYS 80 HD1 LYS 80 17.051 10.105 -10.088 658 1HE LYS 80 HE2 LYS 80 14.801 9.704 -11.393 659 2HE LYS 80 HE1 LYS 80 14.468 11.359 -10.887 660 1HZ LYS 80 HZ1 LYS 80 16.713 10.392 -12.559 661 2HZ LYS 80 HZ2 LYS 80 16.691 11.935 -11.868 662 3HZ LYS 80 HZ3 LYS 80 15.499 11.493 -12.982 663 H GLN 81 HN GLN 81 12.050 8.099 -7.365 664 HA GLN 81 HA GLN 81 13.184 5.533 -7.776 665 1HB GLN 81 HB2 GLN 81 12.453 6.213 -5.067 666 2HB GLN 81 HB1 GLN 81 11.456 4.889 -5.656 667 1HG GLN 81 HG2 GLN 81 13.429 3.603 -6.204 668 2HG GLN 81 HG1 GLN 81 14.464 4.946 -5.720 669 1HE2 GLN 81 HE21 GLN 81 14.893 5.281 -3.592 670 2HE2 GLN 81 HE22 GLN 81 14.375 4.220 -2.330 671 H LEU 82 HN LEU 82 10.112 6.645 -6.343 672 HA LEU 82 HA LEU 82 8.741 5.774 -8.795 673 1HB LEU 82 HB2 LEU 82 6.846 5.110 -7.130 674 2HB LEU 82 HB1 LEU 82 8.170 4.004 -7.448 675 HG LEU 82 HG LEU 82 8.804 5.731 -5.221 676 1HD1 LEU 82 HD11 LEU 82 6.304 5.739 -5.041 677 2HD1 LEU 82 HD12 LEU 82 7.150 5.053 -3.654 678 3HD1 LEU 82 HD13 LEU 82 6.382 3.990 -4.830 679 1HD2 LEU 82 HD21 LEU 82 9.690 3.824 -4.380 680 2HD2 LEU 82 HD22 LEU 82 9.549 3.307 -6.060 681 3HD2 LEU 82 HD23 LEU 82 8.321 2.834 -4.885 682 H ASN 83 HN ASN 83 9.276 8.314 -8.724 683 HA ASN 83 HA ASN 83 7.677 10.041 -7.223 684 1HB ASN 83 HB2 ASN 83 8.672 11.670 -8.432 685 2HB ASN 83 HB1 ASN 83 9.648 10.359 -9.085 686 1HD2 ASN 83 HD21 ASN 83 7.595 12.886 -9.813 687 2HD2 ASN 83 HD22 ASN 83 7.268 12.494 -11.464 688 H HIS 84 HN HIS 84 6.971 8.187 -10.088 689 HA HIS 84 HA HIS 84 4.586 9.571 -10.799 690 1HB HIS 84 HB2 HIS 84 4.168 7.234 -11.983 691 2HB HIS 84 HB1 HIS 84 5.351 8.378 -12.605 692 HD1 HIS 84 HD1 HIS 84 7.901 7.887 -11.651 693 HD2 HIS 84 HD2 HIS 84 5.172 4.754 -11.595 694 HE1 HIS 84 HE1 HIS 84 9.283 5.794 -11.460 695 HE2 HIS 84 HE2 HIS 84 7.616 3.909 -11.548 696 H PHE 85 HN PHE 85 5.313 6.796 -8.761 697 HA PHE 85 HA PHE 85 2.761 5.767 -8.387 698 1HB PHE 85 HB2 PHE 85 5.110 4.988 -7.497 699 2HB PHE 85 HB1 PHE 85 4.657 5.924 -6.073 700 HD1 PHE 85 HD1 PHE 85 3.338 3.264 -8.323 701 HD2 PHE 85 HD2 PHE 85 3.452 4.895 -4.392 702 HE1 PHE 85 HE1 PHE 85 2.043 1.345 -7.493 703 HE2 PHE 85 HE2 PHE 85 2.153 2.973 -3.554 704 HZ PHE 85 HZ PHE 85 1.449 1.198 -5.108 705 H TRP 86 HN TRP 86 4.418 8.324 -6.549 706 HA TRP 86 HA TRP 86 2.465 8.797 -4.642 707 1HB TRP 86 HB2 TRP 86 4.859 9.729 -4.865 708 2HB TRP 86 HB1 TRP 86 4.124 10.996 -5.841 709 HD1 TRP 86 HD1 TRP 86 3.879 13.066 -4.434 710 HE1 TRP 86 HE1 TRP 86 3.151 13.613 -2.020 711 HE3 TRP 86 HE3 TRP 86 3.135 8.315 -2.729 712 HZ2 TRP 86 HZ2 TRP 86 2.365 12.199 0.299 713 HZ3 TRP 86 HZ3 TRP 86 2.397 7.992 -0.406 714 HH2 TRP 86 HH2 TRP 86 2.018 9.896 1.075 715 H GLU 87 HN GLU 87 2.873 10.309 -7.840 716 HA GLU 87 HA GLU 87 0.658 12.043 -7.633 717 1HB GLU 87 HB2 GLU 87 2.171 10.907 -9.976 718 2HB GLU 87 HB1 GLU 87 0.778 11.955 -10.208 719 1HG GLU 87 HG2 GLU 87 1.867 13.753 -9.051 720 2HG GLU 87 HG1 GLU 87 3.220 12.707 -8.620 721 H ILE 88 HN ILE 88 1.002 8.722 -8.720 722 HA ILE 88 HA ILE 88 -1.718 8.505 -9.638 723 HB ILE 88 HB ILE 88 0.213 6.261 -9.031 724 1HG1 ILE 88 HG12 ILE 88 -0.326 7.319 -11.785 725 2HG1 ILE 88 HG11 ILE 88 0.864 8.125 -10.765 726 1HG2 ILE 88 HG21 ILE 88 -1.200 5.061 -10.718 727 2HG2 ILE 88 HG22 ILE 88 -2.331 6.411 -10.636 728 3HG2 ILE 88 HG23 ILE 88 -2.015 5.436 -9.200 729 1HD1 ILE 88 HD11 ILE 88 2.086 6.618 -12.065 730 2HD1 ILE 88 HD12 ILE 88 0.906 5.327 -11.835 731 3HD1 ILE 88 HD13 ILE 88 1.933 5.833 -10.493 732 H VAL 89 HN VAL 89 -0.175 8.421 -6.653 733 HA VAL 89 HA VAL 89 -2.074 6.620 -5.362 734 HB VAL 89 HB VAL 89 0.347 8.108 -4.370 735 1HG1 VAL 89 HG11 VAL 89 -1.861 6.887 -2.752 736 2HG1 VAL 89 HG12 VAL 89 -1.068 8.449 -2.547 737 3HG1 VAL 89 HG13 VAL 89 -0.211 6.962 -2.136 738 1HG2 VAL 89 HG21 VAL 89 1.345 6.072 -4.236 739 2HG2 VAL 89 HG22 VAL 89 0.176 5.698 -5.503 740 3HG2 VAL 89 HG23 VAL 89 -0.156 5.239 -3.833 741 H VAL 90 HN VAL 90 -1.301 10.035 -5.604 742 HA VAL 90 HA VAL 90 -3.324 10.826 -3.704 743 HB VAL 90 HB VAL 90 -1.229 12.143 -4.046 744 1HG1 VAL 90 HG11 VAL 90 -2.506 12.975 -6.646 745 2HG1 VAL 90 HG12 VAL 90 -1.112 11.905 -6.495 746 3HG1 VAL 90 HG13 VAL 90 -0.995 13.584 -5.968 747 1HG2 VAL 90 HG21 VAL 90 -3.863 13.059 -3.672 748 2HG2 VAL 90 HG22 VAL 90 -3.065 14.233 -4.717 749 3HG2 VAL 90 HG23 VAL 90 -2.363 13.828 -3.150 750 H GLN 91 HN GLN 91 -2.910 10.733 -7.196 751 HA GLN 91 HA GLN 91 -5.233 12.079 -7.959 752 1HB GLN 91 HB2 GLN 91 -3.412 10.117 -9.239 753 2HB GLN 91 HB1 GLN 91 -5.001 10.304 -9.968 754 1HG GLN 91 HG2 GLN 91 -4.601 12.721 -10.167 755 2HG GLN 91 HG1 GLN 91 -2.987 12.492 -9.496 756 1HE2 GLN 91 HE21 GLN 91 -5.014 12.151 -12.263 757 2HE2 GLN 91 HE22 GLN 91 -3.779 11.684 -13.378 758 H ASP 92 HN ASP 92 -4.705 8.614 -7.345 759 HA ASP 92 HA ASP 92 -7.288 7.737 -7.930 760 1HB ASP 92 HB2 ASP 92 -4.953 6.681 -6.485 761 2HB ASP 92 HB1 ASP 92 -6.496 6.010 -5.967 762 H GLY 93 HN GLY 93 -6.441 9.907 -5.589 763 1HA GLY 93 HA2 GLY 93 -7.876 10.939 -4.072 764 2HA GLY 93 HA1 GLY 93 -9.008 9.609 -4.275 765 H ILE 94 HN ILE 94 -6.862 7.605 -3.713 766 HA ILE 94 HA ILE 94 -7.329 7.226 -1.001 767 HB ILE 94 HB ILE 94 -4.975 5.924 -1.264 768 1HG1 ILE 94 HG12 ILE 94 -6.010 5.486 -4.001 769 2HG1 ILE 94 HG11 ILE 94 -5.161 7.009 -3.743 770 1HG2 ILE 94 HG21 ILE 94 -7.712 5.106 -2.203 771 2HG2 ILE 94 HG22 ILE 94 -6.969 4.817 -0.630 772 3HG2 ILE 94 HG23 ILE 94 -6.361 3.982 -2.058 773 1HD1 ILE 94 HD11 ILE 94 -3.517 5.535 -4.472 774 2HD1 ILE 94 HD12 ILE 94 -4.125 4.215 -3.474 775 3HD1 ILE 94 HD13 ILE 94 -3.304 5.583 -2.723 776 H THR 95 HN THR 95 -6.389 7.901 0.841 777 HA THR 95 HA THR 95 -3.972 9.570 0.612 778 HB THR 95 HB THR 95 -4.805 11.234 1.969 779 HG1 THR 95 HG1 THR 95 -7.047 9.866 2.922 780 1HG2 THR 95 HG21 THR 95 -6.806 11.974 1.053 781 2HG2 THR 95 HG22 THR 95 -7.486 10.348 0.969 782 3HG2 THR 95 HG23 THR 95 -6.230 10.839 -0.168 783 H LEU 96 HN LEU 96 -2.884 9.872 2.762 784 HA LEU 96 HA LEU 96 -2.007 7.485 3.806 785 1HB LEU 96 HB2 LEU 96 -1.989 10.299 4.819 786 2HB LEU 96 HB1 LEU 96 -1.436 9.009 5.873 787 HG LEU 96 HG LEU 96 0.133 10.425 4.140 788 1HD1 LEU 96 HD11 LEU 96 1.556 8.135 4.451 789 2HD1 LEU 96 HD12 LEU 96 0.355 7.985 5.734 790 3HD1 LEU 96 HD13 LEU 96 1.401 9.403 5.666 791 1HD2 LEU 96 HD21 LEU 96 -0.906 9.302 2.199 792 2HD2 LEU 96 HD22 LEU 96 -0.355 7.752 2.835 793 3HD2 LEU 96 HD23 LEU 96 0.820 8.971 2.344 794 H ILE 97 HN ILE 97 -2.138 6.864 6.179 795 HA ILE 97 HA ILE 97 -4.842 6.165 6.764 796 HB ILE 97 HB ILE 97 -2.174 5.577 7.903 797 1HG1 ILE 97 HG12 ILE 97 -3.147 3.278 7.941 798 2HG1 ILE 97 HG11 ILE 97 -4.662 3.951 7.341 799 1HG2 ILE 97 HG21 ILE 97 -3.111 6.265 9.947 800 2HG2 ILE 97 HG22 ILE 97 -3.279 4.508 9.921 801 3HG2 ILE 97 HG23 ILE 97 -4.672 5.533 9.571 802 1HD1 ILE 97 HD11 ILE 97 -2.071 4.270 5.860 803 2HD1 ILE 97 HD12 ILE 97 -3.714 4.491 5.260 804 3HD1 ILE 97 HD13 ILE 97 -3.124 2.873 5.640 805 H THR 98 HN THR 98 -6.285 7.425 7.766 806 HA THR 98 HA THR 98 -5.299 9.600 9.473 807 HB THR 98 HB THR 98 -8.163 9.561 8.787 808 HG1 THR 98 HG1 THR 98 -7.804 10.150 6.636 809 1HG2 THR 98 HG21 THR 98 -7.503 11.962 8.164 810 2HG2 THR 98 HG22 THR 98 -5.934 11.573 8.868 811 3HG2 THR 98 HG23 THR 98 -7.389 11.496 9.861 812 H LYS 99 HN LYS 99 -6.115 9.990 11.483 813 HA LYS 99 HA LYS 99 -6.401 8.290 13.405 814 1HB LYS 99 HB2 LYS 99 -7.031 10.897 13.217 815 2HB LYS 99 HB1 LYS 99 -8.629 10.230 13.512 816 1HG LYS 99 HG2 LYS 99 -7.868 9.206 15.559 817 2HG LYS 99 HG1 LYS 99 -6.218 9.752 15.247 818 1HD LYS 99 HD2 LYS 99 -6.751 11.984 15.646 819 2HD LYS 99 HD1 LYS 99 -8.478 11.714 15.400 820 1HE LYS 99 HE2 LYS 99 -8.554 10.404 17.476 821 2HE LYS 99 HE1 LYS 99 -6.835 10.709 17.724 822 1HZ LYS 99 HZ1 LYS 99 -7.499 13.158 17.615 823 2HZ LYS 99 HZ2 LYS 99 -7.891 12.300 19.019 824 3HZ LYS 99 HZ3 LYS 99 -9.084 12.618 17.864 825 H GLU 100 HN GLU 100 -9.636 9.417 12.619 826 HA GLU 100 HA GLU 100 -10.807 6.985 13.459 827 1HB GLU 100 HB2 GLU 100 -12.810 8.051 13.289 828 2HB GLU 100 HB1 GLU 100 -11.743 9.446 13.350 829 1HG GLU 100 HG2 GLU 100 -11.781 9.387 10.807 830 2HG GLU 100 HG1 GLU 100 -13.134 8.269 10.969 831 H GLU 101 HN GLU 101 -9.326 7.708 10.544 832 HA GLU 101 HA GLU 101 -11.037 6.349 8.741 833 1HB GLU 101 HB2 GLU 101 -8.885 7.910 8.399 834 2HB GLU 101 HB1 GLU 101 -8.115 6.337 8.221 835 1HG GLU 101 HG2 GLU 101 -8.710 7.071 6.056 836 2HG GLU 101 HG1 GLU 101 -9.842 5.789 6.494 837 H ALA 102 HN ALA 102 -10.017 5.017 11.351 838 HA ALA 102 HA ALA 102 -9.424 2.419 10.105 839 1HB ALA 102 HB1 ALA 102 -8.066 1.902 12.157 840 2HB ALA 102 HB2 ALA 102 -8.173 3.613 12.569 841 3HB ALA 102 HB3 ALA 102 -7.371 3.113 11.081 842 H SER 103 HN SER 103 -10.340 3.832 13.253 843 HA SER 103 HA SER 103 -12.876 2.682 13.409 844 1HB SER 103 HB2 SER 103 -10.794 0.792 13.901 845 2HB SER 103 HB1 SER 103 -11.618 1.106 15.427 846 HG SER 103 HG SER 103 -13.370 0.179 14.682 847 H GLY 104 HN GLY 104 -9.991 3.407 15.334 848 1HA GLY 104 HA2 GLY 104 -11.083 5.606 16.668 849 2HA GLY 104 HA1 GLY 104 -11.337 4.193 17.689 850 H SER 105 HN SER 105 -8.655 5.062 15.558 851 HA SER 105 HA SER 105 -6.862 4.967 17.899 852 1HB SER 105 HB2 SER 105 -6.740 3.070 16.107 853 2HB SER 105 HB1 SER 105 -5.895 4.286 15.147 854 HG SER 105 HG SER 105 -4.840 4.348 17.558 855 H SER 106 HN SER 106 -5.484 6.551 18.251 856 HA SER 106 HA SER 106 -5.827 8.988 16.901 857 1HB SER 106 HB2 SER 106 -3.723 8.043 18.855 858 2HB SER 106 HB1 SER 106 -3.836 9.702 18.270 859 HG SER 106 HG SER 106 -4.930 9.296 20.295 860 H VAL 107 HN VAL 107 -4.628 9.995 15.426 861 HA VAL 107 HA VAL 107 -2.205 8.765 14.393 862 HB VAL 107 HB VAL 107 -4.702 9.111 12.771 863 1HG1 VAL 107 HG11 VAL 107 -1.968 9.749 11.921 864 2HG1 VAL 107 HG12 VAL 107 -3.513 10.192 11.196 865 3HG1 VAL 107 HG13 VAL 107 -2.810 8.604 10.879 866 1HG2 VAL 107 HG21 VAL 107 -3.964 6.912 13.755 867 2HG2 VAL 107 HG22 VAL 107 -2.576 6.988 12.669 868 3HG2 VAL 107 HG23 VAL 107 -4.211 6.918 12.008 869 H THR 108 HN THR 108 -0.748 10.168 13.761 870 HA THR 108 HA THR 108 -0.878 12.828 14.512 871 HB THR 108 HB THR 108 0.974 12.117 12.313 872 HG1 THR 108 HG1 THR 108 1.207 10.203 13.289 873 1HG2 THR 108 HG21 THR 108 1.286 14.203 13.467 874 2HG2 THR 108 HG22 THR 108 2.596 13.117 13.932 875 3HG2 THR 108 HG23 THR 108 1.244 13.392 15.032 876 H ALA 109 HN ALA 109 -0.967 14.754 13.389 877 HA ALA 109 HA ALA 109 -2.721 14.797 11.096 878 1HB ALA 109 HB1 ALA 109 -1.476 16.953 12.789 879 2HB ALA 109 HB2 ALA 109 -3.167 16.456 12.723 880 3HB ALA 109 HB3 ALA 109 -2.443 17.306 11.358 881 H GLU 110 HN GLU 110 0.526 14.510 11.587 882 HA GLU 110 HA GLU 110 1.424 16.089 9.307 883 1HB GLU 110 HB2 GLU 110 2.635 15.248 11.700 884 2HB GLU 110 HB1 GLU 110 3.439 14.341 10.425 885 1HG GLU 110 HG2 GLU 110 4.058 16.360 9.296 886 2HG GLU 110 HG1 GLU 110 3.102 17.330 10.417 887 H GLU 111 HN GLU 111 0.280 13.008 10.009 888 HA GLU 111 HA GLU 111 1.763 11.623 7.943 889 1HB GLU 111 HB2 GLU 111 1.340 10.188 9.714 890 2HB GLU 111 HB1 GLU 111 -0.270 10.839 9.994 891 1HG GLU 111 HG2 GLU 111 -1.203 9.613 8.263 892 2HG GLU 111 HG1 GLU 111 0.357 9.311 7.504 893 H ALA 112 HN ALA 112 -1.601 12.660 8.516 894 HA ALA 112 HA ALA 112 -2.373 11.759 5.876 895 1HB ALA 112 HB1 ALA 112 -4.629 12.696 6.628 896 2HB ALA 112 HB2 ALA 112 -3.871 12.877 8.211 897 3HB ALA 112 HB3 ALA 112 -3.994 11.281 7.469 898 H LYS 113 HN LYS 113 -2.033 14.867 7.578 899 HA LYS 113 HA LYS 113 -3.003 16.316 5.266 900 1HB LYS 113 HB2 LYS 113 -2.500 16.909 8.073 901 2HB LYS 113 HB1 LYS 113 -1.995 18.205 6.998 902 1HG LYS 113 HG2 LYS 113 -4.217 18.311 6.039 903 2HG LYS 113 HG1 LYS 113 -4.734 16.952 7.038 904 1HD LYS 113 HD2 LYS 113 -3.786 18.596 8.945 905 2HD LYS 113 HD1 LYS 113 -4.308 19.787 7.753 906 1HE LYS 113 HE2 LYS 113 -6.525 18.638 7.691 907 2HE LYS 113 HE1 LYS 113 -5.978 17.625 9.026 908 1HZ LYS 113 HZ1 LYS 113 -5.678 19.627 10.360 909 2HZ LYS 113 HZ2 LYS 113 -7.277 19.482 9.830 910 3HZ LYS 113 HZ3 LYS 113 -6.236 20.584 9.081 911 H LYS 114 HN LYS 114 0.123 15.934 6.925 912 HA LYS 114 HA LYS 114 1.475 17.836 5.314 913 1HB LYS 114 HB2 LYS 114 2.086 16.451 7.589 914 2HB LYS 114 HB1 LYS 114 3.117 15.665 6.402 915 1HG LYS 114 HG2 LYS 114 3.090 18.620 6.401 916 2HG LYS 114 HG1 LYS 114 3.862 17.822 7.773 917 1HD LYS 114 HD2 LYS 114 5.326 16.599 6.288 918 2HD LYS 114 HD1 LYS 114 4.498 17.262 4.876 919 1HE LYS 114 HE2 LYS 114 6.709 18.340 5.542 920 2HE LYS 114 HE1 LYS 114 5.342 19.416 5.255 921 1HZ LYS 114 HZ1 LYS 114 5.854 18.462 7.985 922 2HZ LYS 114 HZ2 LYS 114 5.148 19.910 7.467 923 3HZ LYS 114 HZ3 LYS 114 6.822 19.700 7.357 924 H PHE 115 HN PHE 115 0.828 14.409 4.931 925 HA PHE 115 HA PHE 115 2.712 14.031 2.811 926 1HB PHE 115 HB2 PHE 115 0.483 12.410 3.982 927 2HB PHE 115 HB1 PHE 115 1.206 11.924 2.450 928 HD1 PHE 115 HD1 PHE 115 2.795 10.300 2.608 929 HD2 PHE 115 HD2 PHE 115 2.413 13.097 5.791 930 HE1 PHE 115 HE1 PHE 115 4.597 9.155 3.823 931 HE2 PHE 115 HE2 PHE 115 4.219 11.956 7.014 932 HZ PHE 115 HZ PHE 115 5.311 9.980 6.030 933 H LEU 116 HN LEU 116 -0.828 14.422 2.922 934 HA LEU 116 HA LEU 116 -0.813 14.787 0.005 935 1HB LEU 116 HB2 LEU 116 -2.863 13.861 1.962 936 2HB LEU 116 HB1 LEU 116 -3.412 14.669 0.505 937 HG LEU 116 HG LEU 116 -1.697 12.845 -0.552 938 1HD1 LEU 116 HD11 LEU 116 -2.919 11.598 1.903 939 2HD1 LEU 116 HD12 LEU 116 -1.203 11.767 1.532 940 3HD1 LEU 116 HD13 LEU 116 -2.213 10.691 0.565 941 1HD2 LEU 116 HD21 LEU 116 -3.582 12.462 -1.660 942 2HD2 LEU 116 HD22 LEU 116 -4.506 13.280 -0.401 943 3HD2 LEU 116 HD23 LEU 116 -4.202 11.546 -0.286 944 H ALA 117 HN ALA 117 0.185 16.953 0.675 945 HA ALA 117 HA ALA 117 -1.636 18.921 1.728 946 1HB ALA 117 HB1 ALA 117 0.761 19.066 2.182 947 2HB ALA 117 HB2 ALA 117 0.181 20.505 1.343 948 3HB ALA 117 HB3 ALA 117 1.080 19.270 0.460 949 HA PRO 118 HA PRO 118 -3.542 20.252 -2.020 950 1HB PRO 118 HB2 PRO 118 -3.704 22.953 -1.616 951 2HB PRO 118 HB1 PRO 118 -4.776 21.779 -0.846 952 1HG PRO 118 HG2 PRO 118 -2.344 23.132 0.252 953 2HG PRO 118 HG1 PRO 118 -3.899 22.810 1.041 954 1HD PRO 118 HD2 PRO 118 -1.723 21.287 1.496 955 2HD PRO 118 HD1 PRO 118 -3.362 20.606 1.484 956 H LYS 119 HN LYS 119 -1.365 22.953 -1.220 957 HA LYS 119 HA LYS 119 -0.027 22.542 -3.812 958 1HB LYS 119 HB2 LYS 119 -1.343 24.944 -2.710 959 2HB LYS 119 HB1 LYS 119 0.232 25.219 -3.440 960 1HG LYS 119 HG2 LYS 119 -0.543 24.184 -5.512 961 2HG LYS 119 HG1 LYS 119 -2.124 23.906 -4.779 962 1HD LYS 119 HD2 LYS 119 -2.309 26.373 -4.430 963 2HD LYS 119 HD1 LYS 119 -0.820 26.562 -5.358 964 1HE LYS 119 HE2 LYS 119 -1.862 25.561 -7.299 965 2HE LYS 119 HE1 LYS 119 -3.332 25.243 -6.378 966 1HZ LYS 119 HZ1 LYS 119 -3.628 27.631 -6.108 967 2HZ LYS 119 HZ2 LYS 119 -3.572 27.210 -7.745 968 3HZ LYS 119 HZ3 LYS 119 -2.228 27.926 -7.011 969 H ASP 120 HN ASP 120 0.212 23.342 -0.451 970 HA ASP 120 HA ASP 120 3.067 23.915 -0.659 971 1HB ASP 120 HB2 ASP 120 1.134 24.035 1.661 972 2HB ASP 120 HB1 ASP 120 2.862 24.336 1.820 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -7.071 -17.260 -18.452 2 2H GLY 1 HT2 GLY 1 -5.611 -16.746 -17.769 3 3H GLY 1 HT3 GLY 1 -6.852 -15.632 -18.047 4 1HA GLY 1 HA1 GLY 1 -8.233 -16.612 -16.388 5 2HA GLY 1 HA2 GLY 1 -7.087 -17.929 -16.187 6 HA PRO 2 HA PRO 2 -5.004 -13.805 -14.431 7 1HB PRO 2 HB2 PRO 2 -7.552 -12.424 -13.759 8 2HB PRO 2 HB1 PRO 2 -6.020 -11.748 -14.323 9 1HG PRO 2 HG2 PRO 2 -8.104 -11.936 -15.967 10 2HG PRO 2 HG1 PRO 2 -6.458 -12.264 -16.543 11 1HD PRO 2 HD2 PRO 2 -8.648 -14.183 -15.860 12 2HD PRO 2 HD1 PRO 2 -7.447 -14.258 -17.166 13 H VAL 3 HN VAL 3 -4.636 -13.461 -12.207 14 HA VAL 3 HA VAL 3 -6.417 -14.969 -10.407 15 HB VAL 3 HB VAL 3 -4.286 -15.355 -9.034 16 1HG1 VAL 3 HG11 VAL 3 -3.716 -17.361 -10.326 17 2HG1 VAL 3 HG12 VAL 3 -4.619 -16.725 -11.700 18 3HG1 VAL 3 HG13 VAL 3 -5.460 -17.133 -10.205 19 1HG2 VAL 3 HG21 VAL 3 -2.198 -15.407 -10.312 20 2HG2 VAL 3 HG22 VAL 3 -2.854 -13.773 -10.217 21 3HG2 VAL 3 HG23 VAL 3 -3.031 -14.709 -11.702 22 H ASN 4 HN ASN 4 -4.174 -12.268 -10.742 23 HA ASN 4 HA ASN 4 -3.988 -10.284 -9.649 24 1HB ASN 4 HB2 ASN 4 -6.601 -10.525 -9.987 25 2HB ASN 4 HB1 ASN 4 -6.588 -10.683 -8.231 26 1HD2 ASN 4 HD21 ASN 4 -4.635 -8.967 -7.486 27 2HD2 ASN 4 HD22 ASN 4 -5.062 -7.349 -7.917 28 HA PRO 5 HA PRO 5 -2.067 -12.108 -5.964 29 1HB PRO 5 HB2 PRO 5 -1.188 -9.263 -5.767 30 2HB PRO 5 HB1 PRO 5 -0.242 -10.747 -5.605 31 1HG PRO 5 HG2 PRO 5 -0.098 -9.291 -7.825 32 2HG PRO 5 HG1 PRO 5 -0.098 -11.064 -7.899 33 1HD PRO 5 HD2 PRO 5 -2.286 -9.138 -8.530 34 2HD PRO 5 HD1 PRO 5 -1.892 -10.691 -9.293 35 H ALA 6 HN ALA 6 -3.957 -9.142 -6.151 36 HA ALA 6 HA ALA 6 -4.299 -8.759 -3.369 37 1HB ALA 6 HB1 ALA 6 -6.563 -7.731 -4.694 38 2HB ALA 6 HB2 ALA 6 -5.192 -7.515 -5.783 39 3HB ALA 6 HB3 ALA 6 -5.133 -6.855 -4.149 40 H GLU 7 HN GLU 7 -6.103 -10.572 -5.790 41 HA GLU 7 HA GLU 7 -8.255 -11.250 -4.024 42 1HB GLU 7 HB2 GLU 7 -7.417 -12.098 -6.772 43 2HB GLU 7 HB1 GLU 7 -8.645 -13.018 -5.913 44 1HG GLU 7 HG2 GLU 7 -10.025 -11.032 -5.713 45 2HG GLU 7 HG1 GLU 7 -8.785 -10.073 -6.519 46 H ASN 8 HN ASN 8 -5.421 -12.974 -5.295 47 HA ASN 8 HA ASN 8 -5.905 -15.435 -4.047 48 1HB ASN 8 HB2 ASN 8 -4.133 -14.709 -5.852 49 2HB ASN 8 HB1 ASN 8 -3.106 -14.450 -4.444 50 1HD2 ASN 8 HD21 ASN 8 -2.401 -16.192 -3.258 51 2HD2 ASN 8 HD22 ASN 8 -2.567 -17.824 -3.801 52 H PHE 9 HN PHE 9 -4.518 -12.468 -2.855 53 HA PHE 9 HA PHE 9 -3.416 -13.618 -0.469 54 1HB PHE 9 HB2 PHE 9 -2.287 -11.681 -0.895 55 2HB PHE 9 HB1 PHE 9 -3.680 -10.908 -1.639 56 HD1 PHE 9 HD1 PHE 9 -2.240 -11.869 1.642 57 HD2 PHE 9 HD2 PHE 9 -4.938 -9.341 -0.464 58 HE1 PHE 9 HE1 PHE 9 -2.594 -10.548 3.688 59 HE2 PHE 9 HE2 PHE 9 -5.297 -8.014 1.577 60 HZ PHE 9 HZ PHE 9 -4.124 -8.617 3.656 61 H ARG 10 HN ARG 10 -6.283 -11.659 -1.218 62 HA ARG 10 HA ARG 10 -7.312 -11.504 1.378 63 1HB ARG 10 HB2 ARG 10 -8.436 -11.197 -1.363 64 2HB ARG 10 HB1 ARG 10 -9.566 -11.356 -0.026 65 1HG ARG 10 HG2 ARG 10 -8.444 -9.450 1.088 66 2HG ARG 10 HG1 ARG 10 -7.434 -9.256 -0.346 67 1HD ARG 10 HD2 ARG 10 -9.536 -9.001 -1.683 68 2HD ARG 10 HD1 ARG 10 -10.430 -8.981 -0.161 69 HE ARG 10 HE ARG 10 -8.293 -7.027 -0.455 70 1HH1 ARG 10 HH11 ARG 10 -11.704 -7.726 -0.590 71 2HH1 ARG 10 HH12 ARG 10 -12.181 -6.066 -0.457 72 1HH2 ARG 10 HH21 ARG 10 -8.911 -4.839 -0.279 73 2HH2 ARG 10 HH22 ARG 10 -10.593 -4.425 -0.279 74 H VAL 11 HN VAL 11 -7.610 -14.006 -1.080 75 HA VAL 11 HA VAL 11 -9.618 -15.460 0.388 76 HB VAL 11 HB VAL 11 -9.297 -17.237 -1.284 77 1HG1 VAL 11 HG11 VAL 11 -9.578 -14.448 -2.391 78 2HG1 VAL 11 HG12 VAL 11 -10.868 -15.486 -1.786 79 3HG1 VAL 11 HG13 VAL 11 -10.007 -15.920 -3.263 80 1HG2 VAL 11 HG21 VAL 11 -7.019 -17.218 -1.808 81 2HG2 VAL 11 HG22 VAL 11 -7.020 -15.488 -2.151 82 3HG2 VAL 11 HG23 VAL 11 -7.800 -16.608 -3.267 83 H LEU 12 HN LEU 12 -6.134 -15.821 -0.199 84 HA LEU 12 HA LEU 12 -5.738 -18.240 1.115 85 1HB LEU 12 HB2 LEU 12 -4.068 -17.023 -0.285 86 2HB LEU 12 HB1 LEU 12 -3.822 -15.912 1.051 87 HG LEU 12 HG LEU 12 -3.454 -18.469 2.141 88 1HD1 LEU 12 HD11 LEU 12 -1.938 -18.197 -0.449 89 2HD1 LEU 12 HD12 LEU 12 -3.284 -19.304 -0.181 90 3HD1 LEU 12 HD13 LEU 12 -1.791 -19.495 0.737 91 1HD2 LEU 12 HD21 LEU 12 -1.106 -17.714 2.332 92 2HD2 LEU 12 HD22 LEU 12 -2.270 -16.492 2.842 93 3HD2 LEU 12 HD23 LEU 12 -1.486 -16.359 1.268 94 H VAL 13 HN VAL 13 -6.244 -15.052 2.407 95 HA VAL 13 HA VAL 13 -5.486 -15.923 5.098 96 HB VAL 13 HB VAL 13 -5.937 -13.569 5.766 97 1HG1 VAL 13 HG11 VAL 13 -3.707 -13.730 5.449 98 2HG1 VAL 13 HG12 VAL 13 -4.047 -12.675 4.078 99 3HG1 VAL 13 HG13 VAL 13 -3.879 -14.413 3.831 100 1HG2 VAL 13 HG21 VAL 13 -6.808 -13.418 2.940 101 2HG2 VAL 13 HG22 VAL 13 -5.928 -12.034 3.587 102 3HG2 VAL 13 HG23 VAL 13 -7.417 -12.573 4.362 103 H LYS 14 HN LYS 14 -8.137 -16.085 3.177 104 HA LYS 14 HA LYS 14 -9.980 -15.877 5.470 105 1HB LYS 14 HB2 LYS 14 -10.322 -15.163 2.586 106 2HB LYS 14 HB1 LYS 14 -11.725 -15.670 3.517 107 1HG LYS 14 HG2 LYS 14 -10.607 -13.827 5.178 108 2HG LYS 14 HG1 LYS 14 -10.221 -13.164 3.589 109 1HD LYS 14 HD2 LYS 14 -12.779 -13.802 3.164 110 2HD LYS 14 HD1 LYS 14 -12.847 -13.544 4.908 111 1HE LYS 14 HE2 LYS 14 -12.754 -11.336 4.655 112 2HE LYS 14 HE1 LYS 14 -11.333 -11.458 3.619 113 1HZ LYS 14 HZ1 LYS 14 -12.570 -11.338 1.754 114 2HZ LYS 14 HZ2 LYS 14 -13.666 -10.545 2.770 115 3HZ LYS 14 HZ3 LYS 14 -13.880 -12.184 2.413 116 H GLN 15 HN GLN 15 -8.569 -18.239 5.113 117 HA GLN 15 HA GLN 15 -10.634 -20.049 4.031 118 1HB GLN 15 HB2 GLN 15 -7.807 -20.937 4.473 119 2HB GLN 15 HB1 GLN 15 -9.009 -21.567 3.352 120 1HG GLN 15 HG2 GLN 15 -8.790 -19.346 2.128 121 2HG GLN 15 HG1 GLN 15 -7.344 -19.088 3.104 122 1HE2 GLN 15 HE21 GLN 15 -8.857 -21.410 0.910 123 2HE2 GLN 15 HE22 GLN 15 -7.383 -21.979 0.211 124 H LYS 16 HN LYS 16 -8.151 -19.727 6.542 125 HA LYS 16 HA LYS 16 -9.690 -20.410 8.717 126 1HB LYS 16 HB2 LYS 16 -10.128 -22.595 8.006 127 2HB LYS 16 HB1 LYS 16 -8.530 -22.792 7.302 128 1HG LYS 16 HG2 LYS 16 -7.570 -23.360 9.286 129 2HG LYS 16 HG1 LYS 16 -8.715 -22.414 10.240 130 1HD LYS 16 HD2 LYS 16 -10.137 -24.479 8.880 131 2HD LYS 16 HD1 LYS 16 -8.750 -25.193 9.705 132 1HE LYS 16 HE2 LYS 16 -9.465 -23.954 11.766 133 2HE LYS 16 HE1 LYS 16 -10.939 -23.509 10.909 134 1HZ LYS 16 HZ1 LYS 16 -11.547 -25.793 10.724 135 2HZ LYS 16 HZ2 LYS 16 -11.164 -25.497 12.344 136 3HZ LYS 16 HZ3 LYS 16 -10.062 -26.310 11.353 137 H LYS 17 HN LYS 17 -6.545 -21.095 7.241 138 HA LYS 17 HA LYS 17 -5.206 -19.618 9.316 139 1HB LYS 17 HB2 LYS 17 -4.942 -22.579 8.991 140 2HB LYS 17 HB1 LYS 17 -3.529 -21.644 9.451 141 1HG LYS 17 HG2 LYS 17 -4.255 -21.345 11.541 142 2HG LYS 17 HG1 LYS 17 -5.913 -21.032 11.024 143 1HD LYS 17 HD2 LYS 17 -6.257 -23.444 10.711 144 2HD LYS 17 HD1 LYS 17 -4.608 -23.743 11.263 145 1HE LYS 17 HE2 LYS 17 -5.571 -22.228 13.296 146 2HE LYS 17 HE1 LYS 17 -7.030 -23.082 12.793 147 1HZ LYS 17 HZ1 LYS 17 -6.034 -24.436 14.400 148 2HZ LYS 17 HZ2 LYS 17 -4.481 -24.232 13.760 149 3HZ LYS 17 HZ3 LYS 17 -5.622 -25.163 12.929 150 H ALA 18 HN ALA 18 -3.038 -19.145 8.773 151 HA ALA 18 HA ALA 18 -1.558 -19.873 6.597 152 1HB ALA 18 HB1 ALA 18 -2.095 -17.820 5.082 153 2HB ALA 18 HB2 ALA 18 -3.671 -17.883 5.874 154 3HB ALA 18 HB3 ALA 18 -3.085 -19.276 4.965 155 H SER 19 HN SER 19 -2.625 -17.464 8.793 156 HA SER 19 HA SER 19 -1.497 -15.952 10.069 157 1HB SER 19 HB2 SER 19 1.087 -16.745 8.732 158 2HB SER 19 HB1 SER 19 0.842 -16.103 10.359 159 HG SER 19 HG SER 19 0.193 -18.038 11.046 160 H PHE 20 HN PHE 20 -1.797 -13.892 9.629 161 HA PHE 20 HA PHE 20 -1.856 -12.764 7.095 162 1HB PHE 20 HB2 PHE 20 -2.831 -11.866 9.291 163 2HB PHE 20 HB1 PHE 20 -1.238 -11.174 9.578 164 HD1 PHE 20 HD1 PHE 20 -0.455 -9.292 8.317 165 HD2 PHE 20 HD2 PHE 20 -4.243 -11.042 7.483 166 HE1 PHE 20 HE1 PHE 20 -1.062 -7.325 6.969 167 HE2 PHE 20 HE2 PHE 20 -4.857 -9.080 6.132 168 HZ PHE 20 HZ PHE 20 -3.265 -7.218 5.874 169 H GLU 21 HN GLU 21 0.792 -12.983 9.398 170 HA GLU 21 HA GLU 21 2.609 -11.217 8.360 171 1HB GLU 21 HB2 GLU 21 2.686 -13.083 10.312 172 2HB GLU 21 HB1 GLU 21 3.725 -13.846 9.117 173 1HG GLU 21 HG2 GLU 21 5.386 -12.614 9.897 174 2HG GLU 21 HG1 GLU 21 4.579 -11.203 9.214 175 H GLU 22 HN GLU 22 2.421 -14.677 7.450 176 HA GLU 22 HA GLU 22 4.327 -14.626 5.442 177 1HB GLU 22 HB2 GLU 22 2.419 -16.461 6.437 178 2HB GLU 22 HB1 GLU 22 2.199 -16.400 4.694 179 1HG GLU 22 HG2 GLU 22 4.222 -17.324 4.263 180 2HG GLU 22 HG1 GLU 22 4.972 -16.629 5.698 181 H ALA 23 HN ALA 23 0.810 -14.171 5.131 182 HA ALA 23 HA ALA 23 0.759 -13.801 2.354 183 1HB ALA 23 HB1 ALA 23 -1.452 -13.445 2.616 184 2HB ALA 23 HB2 ALA 23 -1.220 -12.290 3.929 185 3HB ALA 23 HB3 ALA 23 -1.136 -14.022 4.252 186 H SER 24 HN SER 24 1.286 -11.528 4.993 187 HA SER 24 HA SER 24 1.120 -9.168 3.444 188 1HB SER 24 HB2 SER 24 1.795 -8.032 5.358 189 2HB SER 24 HB1 SER 24 1.098 -9.499 6.045 190 HG SER 24 HG SER 24 3.853 -9.015 5.555 191 H ASN 25 HN ASN 25 3.921 -11.001 4.654 192 HA ASN 25 HA ASN 25 5.934 -9.519 3.475 193 1HB ASN 25 HB2 ASN 25 5.659 -12.253 4.518 194 2HB ASN 25 HB1 ASN 25 6.920 -12.073 3.301 195 1HD2 ASN 25 HD21 ASN 25 5.939 -11.398 6.513 196 2HD2 ASN 25 HD22 ASN 25 7.390 -10.616 7.030 197 H GLN 26 HN GLN 26 4.188 -12.312 2.127 198 HA GLN 26 HA GLN 26 5.514 -12.424 -0.327 199 1HB GLN 26 HB2 GLN 26 3.472 -13.824 0.876 200 2HB GLN 26 HB1 GLN 26 2.658 -13.054 -0.479 201 1HG GLN 26 HG2 GLN 26 4.074 -14.096 -2.051 202 2HG GLN 26 HG1 GLN 26 5.197 -14.624 -0.794 203 1HE2 GLN 26 HE21 GLN 26 2.366 -15.343 -2.557 204 2HE2 GLN 26 HE22 GLN 26 1.998 -16.852 -1.800 205 H LEU 27 HN LEU 27 2.527 -10.710 0.546 206 HA LEU 27 HA LEU 27 1.944 -9.617 -1.940 207 1HB LEU 27 HB2 LEU 27 0.767 -9.539 0.483 208 2HB LEU 27 HB1 LEU 27 1.430 -7.915 0.427 209 HG LEU 27 HG LEU 27 -0.908 -8.009 -0.336 210 1HD1 LEU 27 HD11 LEU 27 -0.542 -6.330 -1.755 211 2HD1 LEU 27 HD12 LEU 27 0.381 -7.344 -2.864 212 3HD1 LEU 27 HD13 LEU 27 1.170 -6.630 -1.458 213 1HD2 LEU 27 HD21 LEU 27 0.003 -10.284 -1.762 214 2HD2 LEU 27 HD22 LEU 27 -0.552 -9.091 -2.936 215 3HD2 LEU 27 HD23 LEU 27 -1.633 -9.635 -1.655 216 H ILE 28 HN ILE 28 3.880 -8.203 0.709 217 HA ILE 28 HA ILE 28 4.495 -5.810 -0.604 218 HB ILE 28 HB ILE 28 4.968 -6.799 1.894 219 1HG1 ILE 28 HG12 ILE 28 6.371 -4.634 2.141 220 2HG1 ILE 28 HG11 ILE 28 6.003 -4.386 0.434 221 1HG2 ILE 28 HG21 ILE 28 7.293 -6.933 2.339 222 2HG2 ILE 28 HG22 ILE 28 7.705 -6.439 0.697 223 3HG2 ILE 28 HG23 ILE 28 6.972 -8.017 0.986 224 1HD1 ILE 28 HD11 ILE 28 4.035 -3.541 0.966 225 2HD1 ILE 28 HD12 ILE 28 4.427 -3.741 2.675 226 3HD1 ILE 28 HD13 ILE 28 3.594 -5.030 1.804 227 H ASN 29 HN ASN 29 6.063 -8.976 -0.684 228 HA ASN 29 HA ASN 29 8.407 -8.158 -2.028 229 1HB ASN 29 HB2 ASN 29 7.563 -10.494 -0.905 230 2HB ASN 29 HB1 ASN 29 7.405 -10.870 -2.618 231 1HD2 ASN 29 HD21 ASN 29 9.705 -9.279 -0.431 232 2HD2 ASN 29 HD22 ASN 29 11.116 -10.003 -1.115 233 H HIS 30 HN HIS 30 5.313 -9.452 -3.176 234 HA HIS 30 HA HIS 30 5.913 -9.526 -5.905 235 1HB HIS 30 HB2 HIS 30 3.479 -9.571 -4.253 236 2HB HIS 30 HB1 HIS 30 3.238 -8.915 -5.870 237 HD1 HIS 30 HD1 HIS 30 3.684 -10.540 -7.878 238 HD2 HIS 30 HD2 HIS 30 3.886 -12.308 -4.124 239 HE1 HIS 30 HE1 HIS 30 3.610 -13.018 -8.298 240 HE2 HIS 30 HE2 HIS 30 3.825 -14.068 -6.019 241 H ILE 31 HN ILE 31 4.509 -6.954 -3.912 242 HA ILE 31 HA ILE 31 4.083 -5.063 -5.920 243 HB ILE 31 HB ILE 31 4.840 -4.606 -3.029 244 1HG1 ILE 31 HG12 ILE 31 2.119 -4.410 -4.326 245 2HG1 ILE 31 HG11 ILE 31 2.710 -5.887 -3.564 246 1HG2 ILE 31 HG21 ILE 31 3.837 -2.695 -5.126 247 2HG2 ILE 31 HG22 ILE 31 5.329 -2.594 -4.190 248 3HG2 ILE 31 HG23 ILE 31 3.771 -2.360 -3.396 249 1HD1 ILE 31 HD11 ILE 31 2.441 -3.241 -2.159 250 2HD1 ILE 31 HD12 ILE 31 2.841 -4.798 -1.434 251 3HD1 ILE 31 HD13 ILE 31 1.237 -4.528 -2.118 252 H GLU 32 HN GLU 32 6.924 -5.509 -3.817 253 HA GLU 32 HA GLU 32 8.524 -3.481 -4.803 254 1HB GLU 32 HB2 GLU 32 9.157 -6.173 -3.630 255 2HB GLU 32 HB1 GLU 32 10.445 -5.111 -4.180 256 1HG GLU 32 HG2 GLU 32 9.626 -3.364 -2.654 257 2HG GLU 32 HG1 GLU 32 8.390 -4.481 -2.073 258 H GLN 33 HN GLN 33 8.202 -6.814 -5.980 259 HA GLN 33 HA GLN 33 10.123 -6.699 -8.007 260 1HB GLN 33 HB2 GLN 33 7.602 -8.315 -7.685 261 2HB GLN 33 HB1 GLN 33 8.635 -8.495 -9.096 262 1HG GLN 33 HG2 GLN 33 9.999 -8.649 -6.495 263 2HG GLN 33 HG1 GLN 33 8.870 -9.956 -6.851 264 1HE2 GLN 33 HE21 GLN 33 9.455 -11.515 -8.237 265 2HE2 GLN 33 HE22 GLN 33 10.947 -11.549 -9.109 266 H PHE 34 HN PHE 34 6.650 -5.995 -8.093 267 HA PHE 34 HA PHE 34 6.391 -5.370 -10.781 268 1HB PHE 34 HB2 PHE 34 4.928 -4.611 -8.304 269 2HB PHE 34 HB1 PHE 34 4.603 -3.668 -9.754 270 HD1 PHE 34 HD1 PHE 34 4.058 -5.051 -11.897 271 HD2 PHE 34 HD2 PHE 34 3.743 -6.548 -7.927 272 HE1 PHE 34 HE1 PHE 34 2.503 -6.788 -12.681 273 HE2 PHE 34 HE2 PHE 34 2.187 -8.290 -8.702 274 HZ PHE 34 HZ PHE 34 1.566 -8.411 -11.083 275 H LEU 35 HN LEU 35 7.708 -3.475 -8.149 276 HA LEU 35 HA LEU 35 7.837 -1.039 -9.694 277 1HB LEU 35 HB2 LEU 35 9.078 -1.761 -7.036 278 2HB LEU 35 HB1 LEU 35 9.073 -0.156 -7.746 279 HG LEU 35 HG LEU 35 6.408 -1.368 -7.446 280 1HD1 LEU 35 HD11 LEU 35 6.414 -0.697 -4.988 281 2HD1 LEU 35 HD12 LEU 35 8.172 -0.806 -5.084 282 3HD1 LEU 35 HD13 LEU 35 7.182 -2.228 -5.409 283 1HD2 LEU 35 HD21 LEU 35 7.100 1.020 -8.134 284 2HD2 LEU 35 HD22 LEU 35 7.360 1.275 -6.408 285 3HD2 LEU 35 HD23 LEU 35 5.762 0.818 -7.002 286 H ASP 36 HN ASP 36 9.752 -3.829 -9.265 287 HA ASP 36 HA ASP 36 12.298 -2.651 -9.842 288 1HB ASP 36 HB2 ASP 36 11.840 -4.863 -8.620 289 2HB ASP 36 HB1 ASP 36 11.596 -5.557 -10.219 290 H THR 37 HN THR 37 9.653 -2.965 -11.730 291 HA THR 37 HA THR 37 11.253 -2.924 -14.164 292 HB THR 37 HB THR 37 9.128 -4.266 -15.126 293 HG1 THR 37 HG1 THR 37 8.275 -5.609 -13.679 294 1HG2 THR 37 HG21 THR 37 11.577 -4.779 -15.366 295 2HG2 THR 37 HG22 THR 37 10.532 -6.196 -15.262 296 3HG2 THR 37 HG23 THR 37 11.468 -5.686 -13.857 297 H ASN 38 HN ASN 38 10.583 -1.449 -15.576 298 HA ASN 38 HA ASN 38 8.404 0.299 -14.821 299 1HB ASN 38 HB2 ASN 38 10.513 0.403 -16.972 300 2HB ASN 38 HB1 ASN 38 9.181 1.556 -16.925 301 1HD2 ASN 38 HD21 ASN 38 9.321 3.263 -15.617 302 2HD2 ASN 38 HD22 ASN 38 10.586 3.534 -14.473 303 H GLU 39 HN GLU 39 6.390 -0.121 -15.424 304 HA GLU 39 HA GLU 39 5.700 -0.653 -18.139 305 1HB GLU 39 HB2 GLU 39 5.936 -2.894 -16.249 306 2HB GLU 39 HB1 GLU 39 4.396 -2.822 -17.094 307 1HG GLU 39 HG2 GLU 39 7.128 -2.948 -18.346 308 2HG GLU 39 HG1 GLU 39 5.931 -4.239 -18.285 309 H THR 40 HN THR 40 3.591 -0.123 -18.549 310 HA THR 40 HA THR 40 2.194 1.330 -16.551 311 HB THR 40 HB THR 40 0.900 0.404 -19.100 312 HG1 THR 40 HG1 THR 40 2.269 1.550 -20.233 313 1HG2 THR 40 HG21 THR 40 -0.465 1.674 -17.521 314 2HG2 THR 40 HG22 THR 40 -0.157 2.617 -18.980 315 3HG2 THR 40 HG23 THR 40 0.740 2.962 -17.501 316 HA PRO 41 HA PRO 41 -0.943 -2.385 -16.686 317 1HB PRO 41 HB2 PRO 41 0.703 -4.638 -17.616 318 2HB PRO 41 HB1 PRO 41 -0.910 -4.137 -18.135 319 1HG PRO 41 HG2 PRO 41 1.243 -3.833 -19.713 320 2HG PRO 41 HG1 PRO 41 -0.091 -2.664 -19.709 321 1HD PRO 41 HD2 PRO 41 2.589 -2.487 -18.381 322 2HD PRO 41 HD1 PRO 41 1.680 -1.236 -19.256 323 H TYR 42 HN TYR 42 2.350 -2.457 -15.762 324 HA TYR 42 HA TYR 42 2.015 -4.527 -13.757 325 1HB TYR 42 HB2 TYR 42 4.301 -2.850 -14.720 326 2HB TYR 42 HB1 TYR 42 4.414 -3.633 -13.148 327 HD1 TYR 42 HD1 TYR 42 5.821 -5.457 -13.303 328 HD2 TYR 42 HD2 TYR 42 3.036 -4.755 -16.442 329 HE1 TYR 42 HE1 TYR 42 6.531 -7.543 -14.392 330 HE2 TYR 42 HE2 TYR 42 3.739 -6.840 -17.540 331 HH TYR 42 HH TYR 42 4.910 -8.751 -17.285 332 H PHE 43 HN PHE 43 2.637 -1.023 -13.814 333 HA PHE 43 HA PHE 43 2.599 -0.672 -11.019 334 1HB PHE 43 HB2 PHE 43 2.385 1.121 -13.387 335 2HB PHE 43 HB1 PHE 43 1.857 1.762 -11.833 336 HD1 PHE 43 HD1 PHE 43 3.535 1.462 -9.862 337 HD2 PHE 43 HD2 PHE 43 4.607 1.270 -13.977 338 HE1 PHE 43 HE1 PHE 43 5.870 1.963 -9.274 339 HE2 PHE 43 HE2 PHE 43 6.945 1.768 -13.395 340 HZ PHE 43 HZ PHE 43 7.579 2.115 -11.041 341 H MET 44 HN MET 44 0.056 -0.604 -13.458 342 HA MET 44 HA MET 44 -2.034 0.457 -11.997 343 1HB MET 44 HB2 MET 44 -1.769 -0.681 -14.475 344 2HB MET 44 HB1 MET 44 -2.785 -1.854 -13.648 345 1HG MET 44 HG2 MET 44 -4.479 -0.277 -13.261 346 2HG MET 44 HG1 MET 44 -3.419 1.076 -13.654 347 1HE MET 44 HE1 MET 44 -6.305 0.921 -14.868 348 2HE MET 44 HE2 MET 44 -5.987 1.311 -16.559 349 3HE MET 44 HE3 MET 44 -5.139 2.180 -15.280 350 H LYS 45 HN LYS 45 -0.585 -2.713 -11.820 351 HA LYS 45 HA LYS 45 -2.666 -3.891 -10.243 352 1HB LYS 45 HB2 LYS 45 -0.766 -4.993 -11.713 353 2HB LYS 45 HB1 LYS 45 0.142 -4.920 -10.207 354 1HG LYS 45 HG2 LYS 45 -0.844 -6.780 -9.532 355 2HG LYS 45 HG1 LYS 45 -2.416 -5.981 -9.614 356 1HD LYS 45 HD2 LYS 45 -2.232 -6.494 -12.163 357 2HD LYS 45 HD1 LYS 45 -1.047 -7.695 -11.648 358 1HE LYS 45 HE2 LYS 45 -3.114 -8.124 -9.905 359 2HE LYS 45 HE1 LYS 45 -3.959 -7.691 -11.391 360 1HZ LYS 45 HZ1 LYS 45 -2.725 -9.415 -12.551 361 2HZ LYS 45 HZ2 LYS 45 -3.584 -10.071 -11.250 362 3HZ LYS 45 HZ3 LYS 45 -1.914 -9.830 -11.124 363 H SER 46 HN SER 46 0.685 -2.965 -9.476 364 HA SER 46 HA SER 46 0.758 -3.218 -6.801 365 1HB SER 46 HB2 SER 46 1.782 -0.601 -7.794 366 2HB SER 46 HB1 SER 46 2.579 -1.817 -6.793 367 HG SER 46 HG SER 46 2.325 -1.682 -9.580 368 H ILE 47 HN ILE 47 -0.551 -0.338 -8.448 369 HA ILE 47 HA ILE 47 -1.359 1.072 -6.199 370 HB ILE 47 HB ILE 47 -2.793 0.968 -8.857 371 1HG1 ILE 47 HG12 ILE 47 -0.679 2.915 -7.921 372 2HG1 ILE 47 HG11 ILE 47 -0.337 1.522 -8.941 373 1HG2 ILE 47 HG21 ILE 47 -3.571 3.229 -8.245 374 2HG2 ILE 47 HG22 ILE 47 -2.832 3.030 -6.657 375 3HG2 ILE 47 HG23 ILE 47 -4.166 1.985 -7.146 376 1HD1 ILE 47 HD11 ILE 47 -0.521 3.561 -10.244 377 2HD1 ILE 47 HD12 ILE 47 -2.158 3.809 -9.639 378 3HD1 ILE 47 HD13 ILE 47 -1.798 2.421 -10.666 379 H ASP 48 HN ASP 48 -3.277 -1.213 -8.153 380 HA ASP 48 HA ASP 48 -5.545 -1.188 -6.473 381 1HB ASP 48 HB2 ASP 48 -5.033 -2.212 -8.928 382 2HB ASP 48 HB1 ASP 48 -4.967 -3.684 -7.960 383 H CYS 49 HN CYS 49 -2.487 -2.601 -6.152 384 HA CYS 49 HA CYS 49 -3.269 -4.774 -4.421 385 1HB CYS 49 HB2 CYS 49 -0.692 -3.695 -5.454 386 2HB CYS 49 HB1 CYS 49 -0.642 -4.604 -3.946 387 HG CYS 49 HG CYS 49 -0.511 -5.783 -6.914 388 H ILE 50 HN ILE 50 -1.827 -1.554 -4.065 389 HA ILE 50 HA ILE 50 -1.545 -1.652 -1.258 390 HB ILE 50 HB ILE 50 -0.797 0.097 -3.256 391 1HG1 ILE 50 HG12 ILE 50 -0.754 0.940 -0.373 392 2HG1 ILE 50 HG11 ILE 50 0.172 -0.461 -0.915 393 1HG2 ILE 50 HG21 ILE 50 -1.721 2.251 -2.808 394 2HG2 ILE 50 HG22 ILE 50 -2.683 1.620 -1.471 395 3HG2 ILE 50 HG23 ILE 50 -3.055 1.142 -3.127 396 1HD1 ILE 50 HD11 ILE 50 1.767 0.829 -1.747 397 2HD1 ILE 50 HD12 ILE 50 0.971 2.192 -0.961 398 3HD1 ILE 50 HD13 ILE 50 0.604 1.806 -2.643 399 H ARG 51 HN ARG 51 -4.188 -0.956 -3.399 400 HA ARG 51 HA ARG 51 -5.835 0.339 -1.428 401 1HB ARG 51 HB2 ARG 51 -6.442 -0.802 -4.158 402 2HB ARG 51 HB1 ARG 51 -7.637 0.014 -3.159 403 1HG ARG 51 HG2 ARG 51 -5.784 1.907 -3.143 404 2HG ARG 51 HG1 ARG 51 -5.336 1.124 -4.659 405 1HD ARG 51 HD2 ARG 51 -6.956 3.009 -4.906 406 2HD ARG 51 HD1 ARG 51 -7.512 1.473 -5.570 407 HE ARG 51 HE ARG 51 -8.361 2.330 -2.891 408 1HH1 ARG 51 HH11 ARG 51 -9.109 1.427 -6.171 409 2HH1 ARG 51 HH12 ARG 51 -10.815 1.312 -5.888 410 1HH2 ARG 51 HH21 ARG 51 -10.604 2.182 -2.508 411 2HH2 ARG 51 HH22 ARG 51 -11.664 1.742 -3.806 412 H ALA 52 HN ALA 52 -5.299 -2.911 -2.539 413 HA ALA 52 HA ALA 52 -7.664 -3.997 -1.290 414 1HB ALA 52 HB1 ALA 52 -5.251 -5.336 -2.508 415 2HB ALA 52 HB2 ALA 52 -6.823 -5.084 -3.268 416 3HB ALA 52 HB3 ALA 52 -6.672 -6.187 -1.901 417 H PHE 53 HN PHE 53 -4.246 -3.674 -0.569 418 HA PHE 53 HA PHE 53 -4.370 -5.273 1.818 419 1HB PHE 53 HB2 PHE 53 -2.320 -4.665 0.248 420 2HB PHE 53 HB1 PHE 53 -2.172 -3.304 1.359 421 HD1 PHE 53 HD1 PHE 53 -0.897 -6.386 0.708 422 HD2 PHE 53 HD2 PHE 53 -2.566 -4.190 3.948 423 HE1 PHE 53 HE1 PHE 53 0.302 -7.829 2.300 424 HE2 PHE 53 HE2 PHE 53 -1.371 -5.628 5.545 425 HZ PHE 53 HZ PHE 53 0.066 -7.450 4.721 426 H ARG 54 HN ARG 54 -4.115 -1.796 1.106 427 HA ARG 54 HA ARG 54 -4.001 -0.722 3.605 428 1HB ARG 54 HB2 ARG 54 -5.151 0.158 1.037 429 2HB ARG 54 HB1 ARG 54 -5.802 0.972 2.454 430 1HG ARG 54 HG2 ARG 54 -3.347 1.357 3.107 431 2HG ARG 54 HG1 ARG 54 -2.992 0.947 1.426 432 1HD ARG 54 HD2 ARG 54 -5.081 2.740 1.230 433 2HD ARG 54 HD1 ARG 54 -4.116 3.380 2.562 434 HE ARG 54 HE ARG 54 -3.121 2.901 -0.172 435 1HH1 ARG 54 HH11 ARG 54 -2.943 4.516 2.910 436 2HH1 ARG 54 HH12 ARG 54 -1.692 5.606 2.411 437 1HH2 ARG 54 HH21 ARG 54 -1.475 4.332 -0.837 438 2HH2 ARG 54 HH22 ARG 54 -0.859 5.501 0.281 439 H GLU 55 HN GLU 55 -6.923 -1.820 1.924 440 HA GLU 55 HA GLU 55 -8.714 -1.104 4.005 441 1HB GLU 55 HB2 GLU 55 -8.931 -2.949 1.638 442 2HB GLU 55 HB1 GLU 55 -10.249 -2.761 2.786 443 1HG GLU 55 HG2 GLU 55 -10.371 -0.390 2.298 444 2HG GLU 55 HG1 GLU 55 -9.001 -0.530 1.198 445 H GLU 56 HN GLU 56 -7.137 -4.166 3.137 446 HA GLU 56 HA GLU 56 -8.430 -5.752 5.076 447 1HB GLU 56 HB2 GLU 56 -5.852 -6.049 3.556 448 2HB GLU 56 HB1 GLU 56 -6.356 -7.241 4.750 449 1HG GLU 56 HG2 GLU 56 -8.464 -6.596 2.862 450 2HG GLU 56 HG1 GLU 56 -7.013 -7.218 2.078 451 H ALA 57 HN ALA 57 -5.712 -3.571 5.271 452 HA ALA 57 HA ALA 57 -4.837 -4.623 7.824 453 1HB ALA 57 HB1 ALA 57 -3.882 -2.378 6.071 454 2HB ALA 57 HB2 ALA 57 -3.067 -3.894 6.459 455 3HB ALA 57 HB3 ALA 57 -3.244 -2.648 7.694 456 H ILE 58 HN ILE 58 -6.052 -1.487 6.618 457 HA ILE 58 HA ILE 58 -6.321 -0.240 9.087 458 HB ILE 58 HB ILE 58 -7.960 1.254 8.067 459 1HG1 ILE 58 HG12 ILE 58 -7.950 0.283 5.374 460 2HG1 ILE 58 HG11 ILE 58 -8.533 -0.999 6.433 461 1HG2 ILE 58 HG21 ILE 58 -6.203 2.274 7.194 462 2HG2 ILE 58 HG22 ILE 58 -6.324 1.258 5.758 463 3HG2 ILE 58 HG23 ILE 58 -5.334 0.741 7.123 464 1HD1 ILE 58 HD11 ILE 58 -10.298 0.486 5.485 465 2HD1 ILE 58 HD12 ILE 58 -9.627 1.799 6.452 466 3HD1 ILE 58 HD13 ILE 58 -10.294 0.372 7.245 467 H LYS 59 HN LYS 59 -8.606 -2.307 7.349 468 HA LYS 59 HA LYS 59 -10.824 -2.088 8.938 469 1HB LYS 59 HB2 LYS 59 -9.687 -4.228 7.242 470 2HB LYS 59 HB1 LYS 59 -10.893 -4.740 8.414 471 1HG LYS 59 HG2 LYS 59 -12.386 -2.929 7.489 472 2HG LYS 59 HG1 LYS 59 -11.209 -2.754 6.183 473 1HD LYS 59 HD2 LYS 59 -11.513 -5.103 5.587 474 2HD LYS 59 HD1 LYS 59 -12.669 -5.296 6.907 475 1HE LYS 59 HE2 LYS 59 -14.247 -3.887 5.865 476 2HE LYS 59 HE1 LYS 59 -13.057 -3.275 4.716 477 1HZ LYS 59 HZ1 LYS 59 -12.937 -5.606 3.837 478 2HZ LYS 59 HZ2 LYS 59 -14.402 -4.807 3.558 479 3HZ LYS 59 HZ3 LYS 59 -14.293 -5.968 4.783 480 H PHE 60 HN PHE 60 -8.182 -4.481 9.389 481 HA PHE 60 HA PHE 60 -8.052 -4.189 12.165 482 1HB PHE 60 HB2 PHE 60 -9.107 -6.608 12.584 483 2HB PHE 60 HB1 PHE 60 -10.061 -5.132 12.702 484 HD1 PHE 60 HD1 PHE 60 -8.964 -7.422 9.946 485 HD2 PHE 60 HD2 PHE 60 -12.149 -5.302 11.810 486 HE1 PHE 60 HE1 PHE 60 -10.525 -8.293 8.259 487 HE2 PHE 60 HE2 PHE 60 -13.717 -6.171 10.124 488 HZ PHE 60 HZ PHE 60 -12.906 -7.669 8.347 489 H SER 61 HN SER 61 -5.868 -4.316 11.305 490 HA SER 61 HA SER 61 -4.807 -6.955 11.642 491 1HB SER 61 HB2 SER 61 -5.232 -5.913 8.960 492 2HB SER 61 HB1 SER 61 -3.540 -6.313 9.254 493 HG SER 61 HG SER 61 -4.098 -8.394 9.671 494 H GLU 62 HN GLU 62 -3.028 -4.785 9.629 495 HA GLU 62 HA GLU 62 -1.556 -3.796 11.973 496 1HB GLU 62 HB2 GLU 62 -0.274 -4.894 9.465 497 2HB GLU 62 HB1 GLU 62 0.571 -4.222 10.855 498 1HG GLU 62 HG2 GLU 62 -1.259 -6.566 11.171 499 2HG GLU 62 HG1 GLU 62 0.397 -6.780 10.599 500 H GLU 63 HN GLU 63 -3.185 -2.063 11.175 501 HA GLU 63 HA GLU 63 -2.798 -0.564 8.881 502 1HB GLU 63 HB2 GLU 63 -3.700 1.367 10.256 503 2HB GLU 63 HB1 GLU 63 -4.693 -0.083 10.209 504 1HG GLU 63 HG2 GLU 63 -2.759 0.141 12.433 505 2HG GLU 63 HG1 GLU 63 -4.145 1.234 12.457 506 H GLN 64 HN GLN 64 -0.971 -0.495 11.887 507 HA GLN 64 HA GLN 64 0.496 1.890 11.252 508 1HB GLN 64 HB2 GLN 64 0.736 -0.254 13.343 509 2HB GLN 64 HB1 GLN 64 2.029 0.916 13.127 510 1HG GLN 64 HG2 GLN 64 0.375 2.730 13.479 511 2HG GLN 64 HG1 GLN 64 -0.834 1.498 13.838 512 1HE2 GLN 64 HE21 GLN 64 -0.719 0.365 15.759 513 2HE2 GLN 64 HE22 GLN 64 0.295 0.854 17.069 514 H ARG 65 HN ARG 65 0.803 -1.448 10.437 515 HA ARG 65 HA ARG 65 3.608 -1.429 9.888 516 1HB ARG 65 HB2 ARG 65 2.547 -3.544 10.298 517 2HB ARG 65 HB1 ARG 65 1.374 -3.267 9.018 518 1HG ARG 65 HG2 ARG 65 3.156 -3.395 7.353 519 2HG ARG 65 HG1 ARG 65 4.333 -3.679 8.639 520 1HD ARG 65 HD2 ARG 65 2.104 -5.504 8.841 521 2HD ARG 65 HD1 ARG 65 2.857 -5.594 7.247 522 HE ARG 65 HE ARG 65 4.262 -6.033 9.801 523 1HH1 ARG 65 HH11 ARG 65 3.928 -6.524 6.367 524 2HH1 ARG 65 HH12 ARG 65 5.237 -7.654 6.272 525 1HH2 ARG 65 HH21 ARG 65 5.987 -7.518 9.685 526 2HH2 ARG 65 HH22 ARG 65 6.407 -8.219 8.158 527 H PHE 66 HN PHE 66 0.845 -0.226 8.324 528 HA PHE 66 HA PHE 66 2.044 -0.248 5.673 529 1HB PHE 66 HB2 PHE 66 -0.611 -0.247 6.598 530 2HB PHE 66 HB1 PHE 66 -0.368 1.327 5.837 531 HD1 PHE 66 HD1 PHE 66 -0.863 1.468 3.604 532 HD2 PHE 66 HD2 PHE 66 0.488 -2.248 5.177 533 HE1 PHE 66 HE1 PHE 66 -1.111 0.441 1.382 534 HE2 PHE 66 HE2 PHE 66 0.239 -3.281 2.959 535 HZ PHE 66 HZ PHE 66 -0.559 -1.937 1.058 536 H ASN 67 HN ASN 67 1.094 2.057 8.194 537 HA ASN 67 HA ASN 67 1.996 4.336 6.701 538 1HB ASN 67 HB2 ASN 67 1.954 5.398 9.099 539 2HB ASN 67 HB1 ASN 67 0.444 5.006 8.294 540 1HD2 ASN 67 HD21 ASN 67 -0.967 3.949 9.449 541 2HD2 ASN 67 HD22 ASN 67 -0.632 3.016 10.862 542 H ASN 68 HN ASN 68 3.368 1.941 8.648 543 HA ASN 68 HA ASN 68 5.757 3.266 9.454 544 1HB ASN 68 HB2 ASN 68 5.033 1.158 10.505 545 2HB ASN 68 HB1 ASN 68 5.277 0.310 8.981 546 1HD2 ASN 68 HD21 ASN 68 7.258 -0.408 8.466 547 2HD2 ASN 68 HD22 ASN 68 8.670 -0.168 9.432 548 H PHE 69 HN PHE 69 5.203 0.844 6.903 549 HA PHE 69 HA PHE 69 7.628 1.349 5.550 550 1HB PHE 69 HB2 PHE 69 5.894 -0.644 5.391 551 2HB PHE 69 HB1 PHE 69 5.247 0.320 4.064 552 HD1 PHE 69 HD1 PHE 69 6.402 0.505 1.993 553 HD2 PHE 69 HD2 PHE 69 8.184 -1.529 5.279 554 HE1 PHE 69 HE1 PHE 69 8.119 -0.414 0.488 555 HE2 PHE 69 HE2 PHE 69 9.905 -2.451 3.781 556 HZ PHE 69 HZ PHE 69 9.874 -1.893 1.383 557 H LEU 70 HN LEU 70 4.499 2.828 5.397 558 HA LEU 70 HA LEU 70 4.741 4.124 2.898 559 1HB LEU 70 HB2 LEU 70 2.938 4.243 5.177 560 2HB LEU 70 HB1 LEU 70 3.204 5.826 4.466 561 HG LEU 70 HG LEU 70 2.249 3.391 2.953 562 1HD1 LEU 70 HD11 LEU 70 0.835 5.105 4.682 563 2HD1 LEU 70 HD12 LEU 70 0.184 3.887 3.585 564 3HD1 LEU 70 HD13 LEU 70 0.382 5.552 3.036 565 1HD2 LEU 70 HD21 LEU 70 2.711 6.253 2.151 566 2HD2 LEU 70 HD22 LEU 70 1.698 5.146 1.224 567 3HD2 LEU 70 HD23 LEU 70 3.412 4.796 1.447 568 H LYS 71 HN LYS 71 5.470 5.226 6.198 569 HA LYS 71 HA LYS 71 6.322 7.797 5.591 570 1HB LYS 71 HB2 LYS 71 6.740 5.893 7.808 571 2HB LYS 71 HB1 LYS 71 7.964 7.146 7.657 572 1HG LYS 71 HG2 LYS 71 6.069 8.817 7.625 573 2HG LYS 71 HG1 LYS 71 5.012 7.483 8.101 574 1HD LYS 71 HD2 LYS 71 6.753 7.114 9.990 575 2HD LYS 71 HD1 LYS 71 7.247 8.769 9.625 576 1HE LYS 71 HE2 LYS 71 5.084 9.613 10.140 577 2HE LYS 71 HE1 LYS 71 4.400 7.990 10.219 578 1HZ LYS 71 HZ1 LYS 71 6.377 9.157 12.102 579 2HZ LYS 71 HZ2 LYS 71 5.819 7.562 12.157 580 3HZ LYS 71 HZ3 LYS 71 4.747 8.842 12.426 581 H ALA 72 HN ALA 72 8.044 4.731 5.447 582 HA ALA 72 HA ALA 72 10.586 5.917 4.836 583 1HB ALA 72 HB1 ALA 72 11.195 3.543 4.222 584 2HB ALA 72 HB2 ALA 72 9.550 3.096 4.673 585 3HB ALA 72 HB3 ALA 72 10.637 3.790 5.877 586 H LEU 73 HN LEU 73 8.028 4.357 2.966 587 HA LEU 73 HA LEU 73 9.275 4.383 0.464 588 1HB LEU 73 HB2 LEU 73 7.315 3.068 0.756 589 2HB LEU 73 HB1 LEU 73 6.378 4.455 1.281 590 HG LEU 73 HG LEU 73 6.702 5.383 -1.074 591 1HD1 LEU 73 HD11 LEU 73 7.796 2.617 -1.402 592 2HD1 LEU 73 HD12 LEU 73 8.431 4.148 -2.005 593 3HD1 LEU 73 HD13 LEU 73 6.995 3.437 -2.743 594 1HD2 LEU 73 HD21 LEU 73 5.039 3.473 -1.941 595 2HD2 LEU 73 HD22 LEU 73 4.552 4.733 -0.807 596 3HD2 LEU 73 HD23 LEU 73 4.994 3.133 -0.210 597 H GLN 74 HN GLN 74 7.283 6.795 2.091 598 HA GLN 74 HA GLN 74 7.050 8.631 -0.002 599 1HB GLN 74 HB2 GLN 74 5.912 8.573 2.337 600 2HB GLN 74 HB1 GLN 74 7.306 9.514 2.854 601 1HG GLN 74 HG2 GLN 74 6.104 10.564 0.433 602 2HG GLN 74 HG1 GLN 74 4.968 10.497 1.779 603 1HE2 GLN 74 HE21 GLN 74 6.462 11.042 3.928 604 2HE2 GLN 74 HE22 GLN 74 7.163 12.616 3.814 605 H GLU 75 HN GLU 75 9.407 8.553 2.671 606 HA GLU 75 HA GLU 75 10.925 10.749 1.855 607 1HB GLU 75 HB2 GLU 75 11.341 8.424 3.636 608 2HB GLU 75 HB1 GLU 75 12.800 9.218 3.061 609 1HG GLU 75 HG2 GLU 75 11.968 11.353 3.930 610 2HG GLU 75 HG1 GLU 75 10.527 10.535 4.530 611 H LYS 76 HN LYS 76 10.843 7.498 0.650 612 HA LYS 76 HA LYS 76 13.383 7.677 -0.717 613 1HB LYS 76 HB2 LYS 76 11.299 5.623 -0.304 614 2HB LYS 76 HB1 LYS 76 12.151 5.533 -1.840 615 1HG LYS 76 HG2 LYS 76 14.291 5.481 -0.614 616 2HG LYS 76 HG1 LYS 76 13.389 5.473 0.904 617 1HD LYS 76 HD2 LYS 76 12.199 3.404 -0.070 618 2HD LYS 76 HD1 LYS 76 13.546 3.350 -1.208 619 1HE LYS 76 HE2 LYS 76 14.410 2.023 0.425 620 2HE LYS 76 HE1 LYS 76 14.950 3.588 1.030 621 1HZ LYS 76 HZ1 LYS 76 13.440 3.564 2.716 622 2HZ LYS 76 HZ2 LYS 76 13.703 1.900 2.570 623 3HZ LYS 76 HZ3 LYS 76 12.326 2.600 1.880 624 H VAL 77 HN VAL 77 9.979 7.416 -1.710 625 HA VAL 77 HA VAL 77 10.406 7.834 -4.449 626 HB VAL 77 HB VAL 77 8.283 6.963 -3.697 627 1HG1 VAL 77 HG11 VAL 77 8.415 8.550 -1.590 628 2HG1 VAL 77 HG12 VAL 77 6.873 7.942 -2.191 629 3HG1 VAL 77 HG13 VAL 77 7.395 9.577 -2.596 630 1HG2 VAL 77 HG21 VAL 77 8.518 8.604 -5.714 631 2HG2 VAL 77 HG22 VAL 77 7.521 9.657 -4.711 632 3HG2 VAL 77 HG23 VAL 77 6.926 8.065 -5.183 633 H GLU 78 HN GLU 78 10.154 10.001 -1.747 634 HA GLU 78 HA GLU 78 9.633 12.414 -3.004 635 1HB GLU 78 HB2 GLU 78 10.786 11.556 -0.471 636 2HB GLU 78 HB1 GLU 78 11.523 13.040 -1.057 637 1HG GLU 78 HG2 GLU 78 9.073 13.815 -1.408 638 2HG GLU 78 HG1 GLU 78 8.691 12.513 -0.281 639 H ILE 79 HN ILE 79 12.786 10.916 -2.304 640 HA ILE 79 HA ILE 79 14.328 12.816 -3.687 641 HB ILE 79 HB ILE 79 14.964 9.894 -3.245 642 1HG1 ILE 79 HG12 ILE 79 16.350 11.833 -1.581 643 2HG1 ILE 79 HG11 ILE 79 14.601 11.928 -1.373 644 1HG2 ILE 79 HG21 ILE 79 16.671 12.230 -4.071 645 2HG2 ILE 79 HG22 ILE 79 16.433 10.700 -4.916 646 3HG2 ILE 79 HG23 ILE 79 17.340 10.740 -3.405 647 1HD1 ILE 79 HD11 ILE 79 16.362 9.528 -0.979 648 2HD1 ILE 79 HD12 ILE 79 14.599 9.469 -0.973 649 3HD1 ILE 79 HD13 ILE 79 15.455 10.417 0.245 650 H LYS 80 HN LYS 80 14.400 9.512 -4.897 651 HA LYS 80 HA LYS 80 13.134 10.168 -7.396 652 1HB LYS 80 HB2 LYS 80 15.381 11.187 -7.663 653 2HB LYS 80 HB1 LYS 80 16.104 9.608 -7.389 654 1HG LYS 80 HG2 LYS 80 15.641 8.888 -9.468 655 2HG LYS 80 HG1 LYS 80 14.085 9.718 -9.524 656 1HD LYS 80 HD2 LYS 80 15.844 11.808 -9.505 657 2HD LYS 80 HD1 LYS 80 16.726 10.597 -10.438 658 1HE LYS 80 HE2 LYS 80 14.480 10.315 -11.708 659 2HE LYS 80 HE1 LYS 80 14.090 11.892 -11.023 660 1HZ LYS 80 HZ1 LYS 80 15.113 11.970 -13.268 661 2HZ LYS 80 HZ2 LYS 80 16.539 11.346 -12.606 662 3HZ LYS 80 HZ3 LYS 80 15.963 12.853 -12.101 663 H GLN 81 HN GLN 81 11.956 8.396 -7.687 664 HA GLN 81 HA GLN 81 13.137 5.872 -8.170 665 1HB GLN 81 HB2 GLN 81 12.408 6.433 -5.437 666 2HB GLN 81 HB1 GLN 81 11.425 5.119 -6.069 667 1HG GLN 81 HG2 GLN 81 13.351 3.830 -6.603 668 2HG GLN 81 HG1 GLN 81 14.423 5.187 -6.262 669 1HE2 GLN 81 HE21 GLN 81 14.117 2.408 -5.134 670 2HE2 GLN 81 HE22 GLN 81 14.048 2.646 -3.425 671 H LEU 82 HN LEU 82 10.039 6.888 -6.712 672 HA LEU 82 HA LEU 82 8.691 6.081 -9.196 673 1HB LEU 82 HB2 LEU 82 6.811 5.280 -7.588 674 2HB LEU 82 HB1 LEU 82 8.177 4.231 -7.924 675 HG LEU 82 HG LEU 82 8.638 5.929 -5.603 676 1HD1 LEU 82 HD11 LEU 82 7.056 4.906 -4.117 677 2HD1 LEU 82 HD12 LEU 82 6.400 3.920 -5.424 678 3HD1 LEU 82 HD13 LEU 82 6.177 5.670 -5.440 679 1HD2 LEU 82 HD21 LEU 82 8.539 3.076 -5.162 680 2HD2 LEU 82 HD22 LEU 82 9.907 4.186 -5.062 681 3HD2 LEU 82 HD23 LEU 82 9.461 3.471 -6.612 682 H ASN 83 HN ASN 83 9.164 8.616 -9.015 683 HA ASN 83 HA ASN 83 7.562 10.248 -7.417 684 1HB ASN 83 HB2 ASN 83 9.502 10.985 -8.832 685 2HB ASN 83 HB1 ASN 83 8.449 10.867 -10.239 686 1HD2 ASN 83 HD21 ASN 83 7.697 12.743 -10.859 687 2HD2 ASN 83 HD22 ASN 83 7.286 14.073 -9.837 688 H HIS 84 HN HIS 84 6.806 8.473 -10.315 689 HA HIS 84 HA HIS 84 4.384 9.884 -10.900 690 1HB HIS 84 HB2 HIS 84 3.975 7.721 -12.307 691 2HB HIS 84 HB1 HIS 84 5.239 8.846 -12.788 692 HD1 HIS 84 HD1 HIS 84 7.730 8.125 -12.096 693 HD2 HIS 84 HD2 HIS 84 4.824 5.169 -11.819 694 HE1 HIS 84 HE1 HIS 84 8.991 5.953 -11.981 695 HE2 HIS 84 HE2 HIS 84 7.209 4.173 -11.927 696 H PHE 85 HN PHE 85 5.226 6.997 -9.079 697 HA PHE 85 HA PHE 85 2.615 5.990 -8.746 698 1HB PHE 85 HB2 PHE 85 4.855 4.829 -8.267 699 2HB PHE 85 HB1 PHE 85 4.818 5.666 -6.717 700 HD1 PHE 85 HD1 PHE 85 3.403 4.941 -4.960 701 HD2 PHE 85 HD2 PHE 85 3.107 3.167 -8.818 702 HE1 PHE 85 HE1 PHE 85 1.994 3.153 -4.024 703 HE2 PHE 85 HE2 PHE 85 1.698 1.377 -7.890 704 HZ PHE 85 HZ PHE 85 1.140 1.369 -5.491 705 H TRP 86 HN TRP 86 4.376 8.531 -7.136 706 HA TRP 86 HA TRP 86 2.618 8.683 -4.874 707 1HB TRP 86 HB2 TRP 86 5.030 9.411 -4.879 708 2HB TRP 86 HB1 TRP 86 4.545 10.788 -5.864 709 HD1 TRP 86 HD1 TRP 86 4.308 12.880 -4.458 710 HE1 TRP 86 HE1 TRP 86 3.538 13.439 -2.064 711 HE3 TRP 86 HE3 TRP 86 3.206 8.160 -2.843 712 HZ2 TRP 86 HZ2 TRP 86 2.586 12.053 0.209 713 HZ3 TRP 86 HZ3 TRP 86 2.372 7.861 -0.549 714 HH2 TRP 86 HH2 TRP 86 2.068 9.769 0.945 715 H GLU 87 HN GLU 87 3.160 10.712 -7.755 716 HA GLU 87 HA GLU 87 1.072 12.524 -7.267 717 1HB GLU 87 HB2 GLU 87 2.513 11.671 -9.768 718 2HB GLU 87 HB1 GLU 87 1.189 12.826 -9.832 719 1HG GLU 87 HG2 GLU 87 2.378 14.361 -8.433 720 2HG GLU 87 HG1 GLU 87 3.653 13.179 -8.144 721 H ILE 88 HN ILE 88 1.073 9.282 -8.271 722 HA ILE 88 HA ILE 88 -1.532 9.380 -9.544 723 HB ILE 88 HB ILE 88 0.417 7.163 -8.986 724 1HG1 ILE 88 HG12 ILE 88 -0.948 7.919 -11.567 725 2HG1 ILE 88 HG11 ILE 88 0.526 8.715 -11.019 726 1HG2 ILE 88 HG21 ILE 88 -1.413 5.779 -10.281 727 2HG2 ILE 88 HG22 ILE 88 -2.502 6.938 -9.519 728 3HG2 ILE 88 HG23 ILE 88 -1.453 5.927 -8.524 729 1HD1 ILE 88 HD11 ILE 88 1.422 6.269 -10.846 730 2HD1 ILE 88 HD12 ILE 88 1.369 7.102 -12.400 731 3HD1 ILE 88 HD13 ILE 88 0.117 5.932 -11.983 732 H VAL 89 HN VAL 89 -0.202 7.566 -6.758 733 HA VAL 89 HA VAL 89 -2.569 6.716 -5.667 734 HB VAL 89 HB VAL 89 -1.438 6.856 -3.403 735 1HG1 VAL 89 HG11 VAL 89 -0.006 5.465 -5.660 736 2HG1 VAL 89 HG12 VAL 89 -1.394 4.853 -4.759 737 3HG1 VAL 89 HG13 VAL 89 0.157 5.074 -3.947 738 1HG2 VAL 89 HG21 VAL 89 0.117 8.524 -3.415 739 2HG2 VAL 89 HG22 VAL 89 0.573 8.240 -5.094 740 3HG2 VAL 89 HG23 VAL 89 1.155 7.159 -3.827 741 H VAL 90 HN VAL 90 -1.209 9.954 -5.518 742 HA VAL 90 HA VAL 90 -2.992 10.827 -3.448 743 HB VAL 90 HB VAL 90 -0.887 12.011 -3.805 744 1HG1 VAL 90 HG11 VAL 90 -0.421 13.344 -5.708 745 2HG1 VAL 90 HG12 VAL 90 -2.036 13.081 -6.369 746 3HG1 VAL 90 HG13 VAL 90 -0.885 11.748 -6.296 747 1HG2 VAL 90 HG21 VAL 90 -3.220 13.820 -4.411 748 2HG2 VAL 90 HG22 VAL 90 -1.714 14.254 -3.602 749 3HG2 VAL 90 HG23 VAL 90 -2.854 13.161 -2.816 750 H GLN 91 HN GLN 91 -2.876 11.432 -6.956 751 HA GLN 91 HA GLN 91 -5.306 12.753 -7.178 752 1HB GLN 91 HB2 GLN 91 -5.184 12.428 -9.494 753 2HB GLN 91 HB1 GLN 91 -3.507 12.391 -8.971 754 1HG GLN 91 HG2 GLN 91 -3.361 10.066 -9.245 755 2HG GLN 91 HG1 GLN 91 -5.111 9.884 -9.347 756 1HE2 GLN 91 HE21 GLN 91 -6.170 10.453 -11.258 757 2HE2 GLN 91 HE22 GLN 91 -5.322 10.628 -12.753 758 H ASP 92 HN ASP 92 -4.662 9.279 -7.118 759 HA ASP 92 HA ASP 92 -7.195 8.355 -7.801 760 1HB ASP 92 HB2 ASP 92 -5.116 6.973 -7.596 761 2HB ASP 92 HB1 ASP 92 -5.297 7.045 -5.847 762 H GLY 93 HN GLY 93 -6.435 10.258 -5.196 763 1HA GLY 93 HA2 GLY 93 -7.895 11.035 -3.570 764 2HA GLY 93 HA1 GLY 93 -9.001 9.732 -3.979 765 H ILE 94 HN ILE 94 -6.606 7.792 -3.571 766 HA ILE 94 HA ILE 94 -7.284 7.126 -0.908 767 HB ILE 94 HB ILE 94 -5.373 5.528 -1.009 768 1HG1 ILE 94 HG12 ILE 94 -5.047 6.386 -3.878 769 2HG1 ILE 94 HG11 ILE 94 -4.044 7.049 -2.590 770 1HG2 ILE 94 HG21 ILE 94 -6.334 4.184 -2.910 771 2HG2 ILE 94 HG22 ILE 94 -7.378 5.564 -3.248 772 3HG2 ILE 94 HG23 ILE 94 -7.491 4.733 -1.698 773 1HD1 ILE 94 HD11 ILE 94 -4.117 4.171 -2.478 774 2HD1 ILE 94 HD12 ILE 94 -2.737 5.264 -2.596 775 3HD1 ILE 94 HD13 ILE 94 -3.580 4.745 -4.057 776 H THR 95 HN THR 95 -6.306 7.526 1.015 777 HA THR 95 HA THR 95 -3.911 9.240 0.974 778 HB THR 95 HB THR 95 -4.755 10.651 2.670 779 HG1 THR 95 HG1 THR 95 -7.196 9.858 3.197 780 1HG2 THR 95 HG21 THR 95 -7.327 10.368 1.234 781 2HG2 THR 95 HG22 THR 95 -5.894 10.619 0.238 782 3HG2 THR 95 HG23 THR 95 -6.317 11.793 1.483 783 H LEU 96 HN LEU 96 -2.830 9.337 3.138 784 HA LEU 96 HA LEU 96 -1.926 6.886 3.965 785 1HB LEU 96 HB2 LEU 96 -1.959 9.594 5.219 786 2HB LEU 96 HB1 LEU 96 -1.430 8.229 6.187 787 HG LEU 96 HG LEU 96 0.267 9.720 4.792 788 1HD1 LEU 96 HD11 LEU 96 1.576 7.417 4.524 789 2HD1 LEU 96 HD12 LEU 96 0.266 6.872 5.573 790 3HD1 LEU 96 HD13 LEU 96 1.314 8.193 6.086 791 1HD2 LEU 96 HD21 LEU 96 0.800 8.909 2.656 792 2HD2 LEU 96 HD22 LEU 96 -0.954 9.086 2.649 793 3HD2 LEU 96 HD23 LEU 96 -0.231 7.490 2.843 794 H ILE 97 HN ILE 97 -2.054 6.039 6.266 795 HA ILE 97 HA ILE 97 -4.686 5.119 6.738 796 HB ILE 97 HB ILE 97 -2.023 4.704 7.926 797 1HG1 ILE 97 HG12 ILE 97 -3.034 2.336 8.040 798 2HG1 ILE 97 HG11 ILE 97 -4.397 3.023 7.158 799 1HG2 ILE 97 HG21 ILE 97 -3.050 3.535 9.931 800 2HG2 ILE 97 HG22 ILE 97 -4.505 4.476 9.603 801 3HG2 ILE 97 HG23 ILE 97 -2.990 5.299 9.984 802 1HD1 ILE 97 HD11 ILE 97 -2.748 3.771 5.415 803 2HD1 ILE 97 HD12 ILE 97 -2.970 2.028 5.562 804 3HD1 ILE 97 HD13 ILE 97 -1.542 2.796 6.256 805 H THR 98 HN THR 98 -6.281 6.309 7.574 806 HA THR 98 HA THR 98 -5.642 8.393 9.529 807 HB THR 98 HB THR 98 -8.415 8.393 8.930 808 HG1 THR 98 HG1 THR 98 -8.335 7.507 6.987 809 1HG2 THR 98 HG21 THR 98 -8.022 10.605 8.272 810 2HG2 THR 98 HG22 THR 98 -6.390 10.245 7.709 811 3HG2 THR 98 HG23 THR 98 -6.738 10.280 9.438 812 H LYS 99 HN LYS 99 -6.485 8.436 11.564 813 HA LYS 99 HA LYS 99 -6.903 6.171 13.007 814 1HB LYS 99 HB2 LYS 99 -8.164 7.665 14.636 815 2HB LYS 99 HB1 LYS 99 -6.538 8.165 14.198 816 1HG LYS 99 HG2 LYS 99 -8.365 9.339 12.362 817 2HG LYS 99 HG1 LYS 99 -8.942 9.633 14.003 818 1HD LYS 99 HD2 LYS 99 -6.242 10.108 14.209 819 2HD LYS 99 HD1 LYS 99 -6.629 10.732 12.604 820 1HE LYS 99 HE2 LYS 99 -8.569 11.945 13.721 821 2HE LYS 99 HE1 LYS 99 -7.798 11.538 15.254 822 1HZ LYS 99 HZ1 LYS 99 -7.253 13.782 14.248 823 2HZ LYS 99 HZ2 LYS 99 -6.337 12.943 13.100 824 3HZ LYS 99 HZ3 LYS 99 -5.940 12.835 14.740 825 H GLU 100 HN GLU 100 -9.410 8.100 11.409 826 HA GLU 100 HA GLU 100 -11.712 7.034 12.380 827 1HB GLU 100 HB2 GLU 100 -10.908 8.330 9.926 828 2HB GLU 100 HB1 GLU 100 -12.161 7.136 9.618 829 1HG GLU 100 HG2 GLU 100 -13.308 9.128 10.012 830 2HG GLU 100 HG1 GLU 100 -13.450 8.220 11.516 831 H GLU 101 HN GLU 101 -9.421 5.449 10.287 832 HA GLU 101 HA GLU 101 -11.209 3.194 9.837 833 1HB GLU 101 HB2 GLU 101 -8.354 3.559 8.920 834 2HB GLU 101 HB1 GLU 101 -9.503 2.356 8.344 835 1HG GLU 101 HG2 GLU 101 -10.836 4.022 7.288 836 2HG GLU 101 HG1 GLU 101 -9.908 5.321 8.044 837 H ALA 102 HN ALA 102 -7.961 3.735 11.210 838 HA ALA 102 HA ALA 102 -7.407 1.199 12.108 839 1HB ALA 102 HB1 ALA 102 -5.979 2.311 13.830 840 2HB ALA 102 HB2 ALA 102 -6.672 3.851 13.325 841 3HB ALA 102 HB3 ALA 102 -5.734 2.891 12.182 842 H SER 103 HN SER 103 -7.818 3.373 14.789 843 HA SER 103 HA SER 103 -9.897 1.589 15.879 844 1HB SER 103 HB2 SER 103 -7.573 1.387 16.913 845 2HB SER 103 HB1 SER 103 -7.825 3.012 17.551 846 HG SER 103 HG SER 103 -8.437 1.265 18.988 847 H GLY 104 HN GLY 104 -9.336 4.607 14.768 848 1HA GLY 104 HA2 GLY 104 -10.913 6.348 14.772 849 2HA GLY 104 HA1 GLY 104 -11.635 5.660 16.221 850 H SER 105 HN SER 105 -10.052 8.249 15.098 851 HA SER 105 HA SER 105 -9.084 10.057 16.064 852 1HB SER 105 HB2 SER 105 -9.510 8.779 18.758 853 2HB SER 105 HB1 SER 105 -9.438 10.497 18.361 854 HG SER 105 HG SER 105 -11.543 10.255 18.357 855 H SER 106 HN SER 106 -7.840 6.906 16.639 856 HA SER 106 HA SER 106 -5.388 7.909 17.834 857 1HB SER 106 HB2 SER 106 -6.566 5.204 17.373 858 2HB SER 106 HB1 SER 106 -4.823 5.346 17.598 859 HG SER 106 HG SER 106 -6.238 6.792 19.423 860 H VAL 107 HN VAL 107 -4.435 9.085 16.211 861 HA VAL 107 HA VAL 107 -2.549 7.906 14.611 862 HB VAL 107 HB VAL 107 -5.151 8.057 13.217 863 1HG1 VAL 107 HG11 VAL 107 -3.954 8.485 11.015 864 2HG1 VAL 107 HG12 VAL 107 -2.644 9.160 11.982 865 3HG1 VAL 107 HG13 VAL 107 -4.249 9.890 12.042 866 1HG2 VAL 107 HG21 VAL 107 -3.246 6.578 11.782 867 2HG2 VAL 107 HG22 VAL 107 -4.521 5.962 12.833 868 3HG2 VAL 107 HG23 VAL 107 -2.916 6.286 13.490 869 H THR 108 HN THR 108 -1.104 9.436 14.112 870 HA THR 108 HA THR 108 -1.518 12.092 14.951 871 HB THR 108 HB THR 108 0.692 11.013 14.961 872 HG1 THR 108 HG1 THR 108 0.577 13.303 14.939 873 1HG2 THR 108 HG21 THR 108 1.891 10.464 13.055 874 2HG2 THR 108 HG22 THR 108 0.929 11.519 12.020 875 3HG2 THR 108 HG23 THR 108 0.252 9.997 12.603 876 H ALA 109 HN ALA 109 -1.538 14.017 13.810 877 HA ALA 109 HA ALA 109 -3.027 13.982 11.352 878 1HB ALA 109 HB1 ALA 109 -3.615 15.655 12.945 879 2HB ALA 109 HB2 ALA 109 -2.876 16.480 11.573 880 3HB ALA 109 HB3 ALA 109 -1.950 16.225 13.052 881 H GLU 110 HN GLU 110 0.189 13.784 12.115 882 HA GLU 110 HA GLU 110 1.228 15.369 9.912 883 1HB GLU 110 HB2 GLU 110 2.468 13.746 12.111 884 2HB GLU 110 HB1 GLU 110 3.426 14.205 10.710 885 1HG GLU 110 HG2 GLU 110 3.073 16.534 11.162 886 2HG GLU 110 HG1 GLU 110 1.949 16.152 12.465 887 H GLU 111 HN GLU 111 0.075 12.254 10.478 888 HA GLU 111 HA GLU 111 1.660 10.961 8.422 889 1HB GLU 111 HB2 GLU 111 1.215 9.445 10.112 890 2HB GLU 111 HB1 GLU 111 -0.410 10.065 10.388 891 1HG GLU 111 HG2 GLU 111 -1.273 8.937 8.529 892 2HG GLU 111 HG1 GLU 111 0.330 8.595 7.884 893 H ALA 112 HN ALA 112 -1.777 11.783 8.934 894 HA ALA 112 HA ALA 112 -2.388 11.038 6.207 895 1HB ALA 112 HB1 ALA 112 -4.019 10.348 7.730 896 2HB ALA 112 HB2 ALA 112 -4.728 11.736 6.905 897 3HB ALA 112 HB3 ALA 112 -4.062 11.920 8.529 898 H LYS 113 HN LYS 113 -2.156 14.025 8.098 899 HA LYS 113 HA LYS 113 -3.214 15.581 5.889 900 1HB LYS 113 HB2 LYS 113 -3.164 15.922 8.646 901 2HB LYS 113 HB1 LYS 113 -2.056 17.143 8.036 902 1HG LYS 113 HG2 LYS 113 -3.747 18.112 6.672 903 2HG LYS 113 HG1 LYS 113 -4.852 16.774 6.994 904 1HD LYS 113 HD2 LYS 113 -3.970 17.935 9.467 905 2HD LYS 113 HD1 LYS 113 -4.617 19.192 8.409 906 1HE LYS 113 HE2 LYS 113 -6.680 18.544 8.905 907 2HE LYS 113 HE1 LYS 113 -6.339 16.949 8.235 908 1HZ LYS 113 HZ1 LYS 113 -6.992 17.394 10.786 909 2HZ LYS 113 HZ2 LYS 113 -5.305 17.414 10.900 910 3HZ LYS 113 HZ3 LYS 113 -6.093 16.058 10.264 911 H LYS 114 HN LYS 114 -0.086 15.307 7.586 912 HA LYS 114 HA LYS 114 1.188 17.314 6.061 913 1HB LYS 114 HB2 LYS 114 1.830 15.880 8.286 914 2HB LYS 114 HB1 LYS 114 2.911 15.175 7.093 915 1HG LYS 114 HG2 LYS 114 2.765 18.125 7.186 916 2HG LYS 114 HG1 LYS 114 3.546 17.314 8.545 917 1HD LYS 114 HD2 LYS 114 4.795 16.003 6.654 918 2HD LYS 114 HD1 LYS 114 4.339 17.393 5.667 919 1HE LYS 114 HE2 LYS 114 6.581 17.625 6.673 920 2HE LYS 114 HE1 LYS 114 5.467 18.893 7.182 921 1HZ LYS 114 HZ1 LYS 114 5.331 16.710 8.970 922 2HZ LYS 114 HZ2 LYS 114 5.765 18.314 9.283 923 3HZ LYS 114 HZ3 LYS 114 6.942 17.199 8.800 924 H PHE 115 HN PHE 115 0.660 13.912 5.460 925 HA PHE 115 HA PHE 115 2.674 13.625 3.477 926 1HB PHE 115 HB2 PHE 115 0.400 12.011 4.472 927 2HB PHE 115 HB1 PHE 115 0.973 11.646 2.845 928 HD1 PHE 115 HD1 PHE 115 2.551 10.005 2.665 929 HD2 PHE 115 HD2 PHE 115 2.421 12.341 6.219 930 HE1 PHE 115 HE1 PHE 115 4.385 8.665 3.608 931 HE2 PHE 115 HE2 PHE 115 4.254 11.006 7.170 932 HZ PHE 115 HZ PHE 115 5.238 9.165 5.865 933 H LEU 116 HN LEU 116 -0.843 14.181 3.238 934 HA LEU 116 HA LEU 116 -0.593 14.457 0.344 935 1HB LEU 116 HB2 LEU 116 -2.849 14.123 2.252 936 2HB LEU 116 HB1 LEU 116 -3.178 14.927 0.727 937 HG LEU 116 HG LEU 116 -1.840 12.733 -0.148 938 1HD1 LEU 116 HD11 LEU 116 -2.816 10.803 1.073 939 2HD1 LEU 116 HD12 LEU 116 -3.349 11.920 2.328 940 3HD1 LEU 116 HD13 LEU 116 -1.627 11.711 2.007 941 1HD2 LEU 116 HD21 LEU 116 -3.853 13.386 -1.166 942 2HD2 LEU 116 HD22 LEU 116 -4.768 13.204 0.331 943 3HD2 LEU 116 HD23 LEU 116 -4.174 11.777 -0.518 944 H ALA 117 HN ALA 117 -0.680 16.458 3.115 945 HA ALA 117 HA ALA 117 -1.145 18.806 1.396 946 1HB ALA 117 HB1 ALA 117 -1.668 19.044 4.301 947 2HB ALA 117 HB2 ALA 117 -2.830 18.133 3.337 948 3HB ALA 117 HB3 ALA 117 -2.474 19.813 2.935 949 HA PRO 118 HA PRO 118 3.092 19.481 2.868 950 1HB PRO 118 HB2 PRO 118 3.778 21.285 0.986 951 2HB PRO 118 HB1 PRO 118 3.715 19.551 0.646 952 1HG PRO 118 HG2 PRO 118 1.695 21.676 0.032 953 2HG PRO 118 HG1 PRO 118 2.265 20.345 -0.992 954 1HD PRO 118 HD2 PRO 118 -0.079 20.261 0.390 955 2HD PRO 118 HD1 PRO 118 0.874 18.814 0.011 956 H LYS 119 HN LYS 119 0.463 21.683 2.455 957 HA LYS 119 HA LYS 119 1.549 23.388 4.550 958 1HB LYS 119 HB2 LYS 119 1.259 24.195 1.739 959 2HB LYS 119 HB1 LYS 119 0.504 25.295 2.885 960 1HG LYS 119 HG2 LYS 119 2.830 25.045 4.112 961 2HG LYS 119 HG1 LYS 119 3.369 24.645 2.479 962 1HD LYS 119 HD2 LYS 119 2.247 26.762 1.708 963 2HD LYS 119 HD1 LYS 119 2.014 27.171 3.408 964 1HE LYS 119 HE2 LYS 119 3.987 28.277 2.813 965 2HE LYS 119 HE1 LYS 119 4.537 26.825 3.648 966 1HZ LYS 119 HZ1 LYS 119 5.859 26.958 1.753 967 2HZ LYS 119 HZ2 LYS 119 4.572 27.402 0.749 968 3HZ LYS 119 HZ3 LYS 119 4.683 25.817 1.331 969 H ASP 120 HN ASP 120 -1.153 23.242 2.223 970 HA ASP 120 HA ASP 120 -3.001 23.455 4.509 971 1HB ASP 120 HB2 ASP 120 -2.856 25.027 2.014 972 2HB ASP 120 HB1 ASP 120 -4.468 24.477 2.458
Contact the webmaster for help, if required. Friday, July 5, 2024 12:28:25 AM GMT (wattos1)