NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6100 | 1ifw | 5053 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -23.169 1.039 -16.963 2 2H GLY 1 HT2 GLY 1 -24.629 0.227 -17.228 3 3H GLY 1 HT3 GLY 1 -23.163 -0.604 -17.371 4 1HA GLY 1 HA1 GLY 1 -23.188 -1.144 -15.240 5 2HA GLY 1 HA2 GLY 1 -23.259 0.561 -14.821 6 HA PRO 2 HA PRO 2 -27.198 -1.295 -13.311 7 1HB PRO 2 HB2 PRO 2 -27.283 0.056 -10.977 8 2HB PRO 2 HB1 PRO 2 -26.331 -1.418 -11.185 9 1HG PRO 2 HG2 PRO 2 -25.438 1.438 -11.243 10 2HG PRO 2 HG1 PRO 2 -24.668 0.039 -10.471 11 1HD PRO 2 HD2 PRO 2 -23.867 1.050 -12.872 12 2HD PRO 2 HD1 PRO 2 -23.694 -0.660 -12.429 13 H LEU 3 HN LEU 3 -26.357 1.567 -14.635 14 HA LEU 3 HA LEU 3 -28.583 3.173 -13.767 15 1HB LEU 3 HB2 LEU 3 -27.793 4.643 -15.731 16 2HB LEU 3 HB1 LEU 3 -26.775 4.500 -14.313 17 HG LEU 3 HG LEU 3 -26.038 2.471 -16.208 18 1HD1 LEU 3 HD11 LEU 3 -25.224 3.902 -18.013 19 2HD1 LEU 3 HD12 LEU 3 -26.041 5.285 -17.285 20 3HD1 LEU 3 HD13 LEU 3 -26.985 3.930 -17.906 21 1HD2 LEU 3 HD21 LEU 3 -23.853 3.544 -16.003 22 2HD2 LEU 3 HD22 LEU 3 -24.615 3.330 -14.427 23 3HD2 LEU 3 HD23 LEU 3 -24.603 4.919 -15.191 24 H GLY 4 HN GLY 4 -27.638 1.871 -16.969 25 1HA GLY 4 HA2 GLY 4 -30.488 1.960 -17.712 26 2HA GLY 4 HA1 GLY 4 -29.150 2.011 -18.848 27 H SER 5 HN SER 5 -29.284 -0.232 -16.155 28 HA SER 5 HA SER 5 -29.365 -2.429 -18.091 29 1HB SER 5 HB2 SER 5 -27.538 -2.170 -16.265 30 2HB SER 5 HB1 SER 5 -28.778 -2.761 -15.159 31 HG SER 5 HG SER 5 -27.214 -4.207 -16.649 32 HA PRO 6 HA PRO 6 -33.616 -3.148 -16.942 33 1HB PRO 6 HB2 PRO 6 -33.842 -5.639 -18.063 34 2HB PRO 6 HB1 PRO 6 -33.967 -4.131 -18.974 35 1HG PRO 6 HG2 PRO 6 -31.642 -5.985 -18.683 36 2HG PRO 6 HG1 PRO 6 -32.214 -5.119 -20.120 37 1HD PRO 6 HD2 PRO 6 -30.091 -4.280 -18.677 38 2HD PRO 6 HD1 PRO 6 -31.188 -3.149 -19.497 39 H ARG 7 HN ARG 7 -31.541 -6.052 -16.749 40 HA ARG 7 HA ARG 7 -32.918 -6.879 -14.324 41 1HB ARG 7 HB2 ARG 7 -31.551 -8.937 -14.531 42 2HB ARG 7 HB1 ARG 7 -32.490 -8.596 -15.978 43 1HG ARG 7 HG2 ARG 7 -30.546 -7.773 -17.116 44 2HG ARG 7 HG1 ARG 7 -29.581 -7.902 -15.644 45 1HD ARG 7 HD2 ARG 7 -29.111 -10.029 -16.082 46 2HD ARG 7 HD1 ARG 7 -30.824 -10.423 -16.215 47 HE ARG 7 HE ARG 7 -30.486 -10.579 -18.454 48 1HH1 ARG 7 HH11 ARG 7 -28.178 -8.289 -17.188 49 2HH1 ARG 7 HH12 ARG 7 -27.476 -7.954 -18.734 50 1HH2 ARG 7 HH21 ARG 7 -29.561 -10.145 -20.485 51 2HH2 ARG 7 HH22 ARG 7 -28.259 -9.010 -20.607 52 H ASN 8 HN ASN 8 -32.189 -6.495 -12.341 53 HA ASN 8 HA ASN 8 -29.417 -5.558 -12.034 54 1HB ASN 8 HB2 ASN 8 -31.592 -4.189 -11.329 55 2HB ASN 8 HB1 ASN 8 -31.423 -5.158 -9.868 56 1HD2 ASN 8 HD21 ASN 8 -29.318 -5.099 -8.798 57 2HD2 ASN 8 HD22 ASN 8 -28.411 -3.628 -8.833 58 H ALA 9 HN ALA 9 -28.135 -6.348 -10.356 59 HA ALA 9 HA ALA 9 -28.519 -9.089 -9.724 60 1HB ALA 9 HB1 ALA 9 -26.438 -8.930 -8.526 61 2HB ALA 9 HB2 ALA 9 -26.539 -7.169 -8.511 62 3HB ALA 9 HB3 ALA 9 -26.305 -8.025 -10.034 63 H ASN 10 HN ASN 10 -29.003 -10.081 -7.785 64 HA ASN 10 HA ASN 10 -30.700 -8.575 -6.015 65 1HB ASN 10 HB2 ASN 10 -29.982 -11.453 -6.350 66 2HB ASN 10 HB1 ASN 10 -30.635 -10.936 -4.800 67 1HD2 ASN 10 HD21 ASN 10 -32.768 -10.590 -4.605 68 2HD2 ASN 10 HD22 ASN 10 -33.905 -10.726 -5.898 69 H ASP 11 HN ASP 11 -27.766 -10.552 -5.540 70 HA ASP 11 HA ASP 11 -27.354 -9.370 -2.923 71 1HB ASP 11 HB2 ASP 11 -25.630 -11.347 -4.433 72 2HB ASP 11 HB1 ASP 11 -25.480 -10.921 -2.731 73 H ASN 12 HN ASN 12 -26.041 -7.724 -2.478 74 HA ASN 12 HA ASN 12 -24.600 -6.464 -4.664 75 1HB ASN 12 HB2 ASN 12 -25.386 -5.630 -1.891 76 2HB ASN 12 HB1 ASN 12 -24.143 -4.737 -2.764 77 1HD2 ASN 12 HD21 ASN 12 -24.745 -3.251 -4.185 78 2HD2 ASN 12 HD22 ASN 12 -26.364 -2.980 -4.724 79 H ASN 13 HN ASN 13 -22.950 -8.081 -4.880 80 HA ASN 13 HA ASN 13 -21.048 -8.309 -2.672 81 1HB ASN 13 HB2 ASN 13 -21.797 -10.348 -3.914 82 2HB ASN 13 HB1 ASN 13 -21.011 -9.708 -5.354 83 1HD2 ASN 13 HD21 ASN 13 -20.537 -12.133 -3.678 84 2HD2 ASN 13 HD22 ASN 13 -18.857 -12.071 -3.279 85 H GLN 14 HN GLN 14 -19.842 -6.481 -2.601 86 HA GLN 14 HA GLN 14 -18.931 -5.100 -4.914 87 1HB GLN 14 HB2 GLN 14 -17.616 -3.753 -3.359 88 2HB GLN 14 HB1 GLN 14 -19.260 -3.964 -2.770 89 1HG GLN 14 HG2 GLN 14 -17.284 -5.933 -1.826 90 2HG GLN 14 HG1 GLN 14 -17.074 -4.280 -1.252 91 1HE2 GLN 14 HE21 GLN 14 -19.527 -3.355 -0.873 92 2HE2 GLN 14 HE22 GLN 14 -20.395 -4.304 0.281 93 H PHE 15 HN PHE 15 -17.765 -7.832 -3.188 94 HA PHE 15 HA PHE 15 -15.036 -7.552 -4.125 95 1HB PHE 15 HB2 PHE 15 -16.502 -9.419 -2.334 96 2HB PHE 15 HB1 PHE 15 -15.077 -10.049 -3.153 97 HD1 PHE 15 HD1 PHE 15 -12.881 -9.314 -2.562 98 HD2 PHE 15 HD2 PHE 15 -16.309 -7.577 -0.736 99 HE1 PHE 15 HE1 PHE 15 -11.442 -8.281 -0.856 100 HE2 PHE 15 HE2 PHE 15 -14.876 -6.537 0.974 101 HZ PHE 15 HZ PHE 15 -12.439 -6.889 0.916 102 H TYR 16 HN TYR 16 -16.757 -7.528 -6.265 103 HA TYR 16 HA TYR 16 -16.960 -10.173 -7.403 104 1HB TYR 16 HB2 TYR 16 -18.479 -8.019 -7.758 105 2HB TYR 16 HB1 TYR 16 -17.324 -7.712 -9.051 106 HD1 TYR 16 HD1 TYR 16 -20.222 -9.575 -8.041 107 HD2 TYR 16 HD2 TYR 16 -17.008 -9.493 -10.830 108 HE1 TYR 16 HE1 TYR 16 -21.464 -11.111 -9.507 109 HE2 TYR 16 HE2 TYR 16 -18.241 -11.027 -12.304 110 HH TYR 16 HH TYR 16 -20.222 -12.027 -12.694 111 H GLN 17 HN GLN 17 -15.429 -7.179 -8.600 112 HA GLN 17 HA GLN 17 -13.624 -8.712 -10.250 113 1HB GLN 17 HB2 GLN 17 -13.873 -5.740 -9.766 114 2HB GLN 17 HB1 GLN 17 -12.749 -6.463 -10.906 115 1HG GLN 17 HG2 GLN 17 -14.313 -6.663 -12.461 116 2HG GLN 17 HG1 GLN 17 -15.447 -7.404 -11.333 117 1HE2 GLN 17 HE21 GLN 17 -17.234 -6.309 -10.975 118 2HE2 GLN 17 HE22 GLN 17 -17.444 -4.605 -11.163 119 H GLN 18 HN GLN 18 -12.700 -9.817 -8.297 120 HA GLN 18 HA GLN 18 -11.072 -8.388 -6.465 121 1HB GLN 18 HB2 GLN 18 -11.982 -10.696 -6.096 122 2HB GLN 18 HB1 GLN 18 -10.818 -11.291 -7.271 123 1HG GLN 18 HG2 GLN 18 -9.131 -11.237 -5.809 124 2HG GLN 18 HG1 GLN 18 -9.628 -9.681 -5.145 125 1HE2 GLN 18 HE21 GLN 18 -12.097 -10.172 -4.189 126 2HE2 GLN 18 HE22 GLN 18 -12.039 -11.352 -2.929 127 H LYS 19 HN LYS 19 -10.528 -9.747 -9.636 128 HA LYS 19 HA LYS 19 -7.710 -9.728 -9.586 129 1HB LYS 19 HB2 LYS 19 -9.678 -10.488 -11.398 130 2HB LYS 19 HB1 LYS 19 -8.825 -9.183 -12.214 131 1HG LYS 19 HG2 LYS 19 -7.464 -10.833 -12.881 132 2HG LYS 19 HG1 LYS 19 -6.741 -10.620 -11.285 133 1HD LYS 19 HD2 LYS 19 -7.661 -12.542 -10.460 134 2HD LYS 19 HD1 LYS 19 -9.074 -12.444 -11.514 135 1HE LYS 19 HE2 LYS 19 -6.900 -12.777 -13.233 136 2HE LYS 19 HE1 LYS 19 -6.593 -13.872 -11.885 137 1HZ LYS 19 HZ1 LYS 19 -7.868 -14.981 -13.579 138 2HZ LYS 19 HZ2 LYS 19 -9.055 -13.777 -13.541 139 3HZ LYS 19 HZ3 LYS 19 -8.830 -14.784 -12.201 140 H GLN 20 HN GLN 20 -10.066 -7.251 -10.024 141 HA GLN 20 HA GLN 20 -8.184 -5.343 -11.123 142 1HB GLN 20 HB2 GLN 20 -11.092 -5.401 -10.549 143 2HB GLN 20 HB1 GLN 20 -10.313 -3.829 -10.438 144 1HG GLN 20 HG2 GLN 20 -9.491 -4.070 -12.722 145 2HG GLN 20 HG1 GLN 20 -10.267 -5.650 -12.837 146 1HE2 GLN 20 HE21 GLN 20 -11.410 -4.784 -14.658 147 2HE2 GLN 20 HE22 GLN 20 -12.806 -3.797 -14.415 148 H ARG 21 HN ARG 21 -9.829 -5.992 -8.077 149 HA ARG 21 HA ARG 21 -9.143 -3.775 -6.592 150 1HB ARG 21 HB2 ARG 21 -9.479 -6.657 -5.814 151 2HB ARG 21 HB1 ARG 21 -9.191 -5.392 -4.624 152 1HG ARG 21 HG2 ARG 21 -11.225 -4.281 -5.976 153 2HG ARG 21 HG1 ARG 21 -11.608 -5.987 -6.213 154 1HD ARG 21 HD2 ARG 21 -11.536 -6.335 -3.793 155 2HD ARG 21 HD1 ARG 21 -11.135 -4.635 -3.559 156 HE ARG 21 HE ARG 21 -13.600 -5.178 -4.990 157 1HH1 ARG 21 HH11 ARG 21 -12.109 -4.477 -1.915 158 2HH1 ARG 21 HH12 ARG 21 -13.550 -3.815 -1.221 159 1HH2 ARG 21 HH21 ARG 21 -15.504 -4.326 -4.075 160 2HH2 ARG 21 HH22 ARG 21 -15.482 -3.735 -2.447 161 H GLN 22 HN GLN 22 -7.313 -6.847 -6.676 162 HA GLN 22 HA GLN 22 -5.084 -5.740 -5.293 163 1HB GLN 22 HB2 GLN 22 -5.906 -8.267 -5.765 164 2HB GLN 22 HB1 GLN 22 -4.660 -8.125 -6.997 165 1HG GLN 22 HG2 GLN 22 -3.129 -8.559 -5.468 166 2HG GLN 22 HG1 GLN 22 -3.572 -7.077 -4.622 167 1HE2 GLN 22 HE21 GLN 22 -4.385 -10.492 -4.943 168 2HE2 GLN 22 HE22 GLN 22 -4.952 -10.695 -3.324 169 H ALA 23 HN ALA 23 -6.104 -5.700 -8.564 170 HA ALA 23 HA ALA 23 -3.642 -5.543 -9.904 171 1HB ALA 23 HB1 ALA 23 -5.665 -3.840 -11.091 172 2HB ALA 23 HB2 ALA 23 -6.308 -5.413 -10.628 173 3HB ALA 23 HB3 ALA 23 -4.920 -5.313 -11.710 174 H LEU 24 HN LEU 24 -5.792 -2.750 -9.418 175 HA LEU 24 HA LEU 24 -3.718 -0.871 -9.740 176 1HB LEU 24 HB2 LEU 24 -6.535 -0.776 -8.805 177 2HB LEU 24 HB1 LEU 24 -5.520 0.615 -8.492 178 HG LEU 24 HG LEU 24 -6.793 0.943 -10.528 179 1HD1 LEU 24 HD11 LEU 24 -4.423 1.764 -10.345 180 2HD1 LEU 24 HD12 LEU 24 -5.046 1.589 -11.983 181 3HD1 LEU 24 HD13 LEU 24 -3.950 0.375 -11.322 182 1HD2 LEU 24 HD21 LEU 24 -5.493 -1.621 -11.434 183 2HD2 LEU 24 HD22 LEU 24 -6.381 -0.519 -12.489 184 3HD2 LEU 24 HD23 LEU 24 -7.213 -1.331 -11.163 185 H GLY 25 HN GLY 25 -4.987 -2.553 -6.943 186 1HA GLY 25 HA2 GLY 25 -3.903 -0.920 -4.926 187 2HA GLY 25 HA1 GLY 25 -4.247 -2.638 -4.761 188 H GLU 26 HN GLU 26 -2.528 -3.619 -6.751 189 HA GLU 26 HA GLU 26 -0.106 -3.809 -5.345 190 1HB GLU 26 HB2 GLU 26 -1.138 -4.728 -7.955 191 2HB GLU 26 HB1 GLU 26 0.610 -4.539 -7.872 192 1HG GLU 26 HG2 GLU 26 -0.855 -6.051 -5.750 193 2HG GLU 26 HG1 GLU 26 -0.445 -6.818 -7.284 194 H GLN 27 HN GLN 27 -1.265 -1.570 -7.744 195 HA GLN 27 HA GLN 27 1.180 -0.522 -8.636 196 1HB GLN 27 HB2 GLN 27 -1.613 0.180 -8.813 197 2HB GLN 27 HB1 GLN 27 -0.643 1.619 -8.544 198 1HG GLN 27 HG2 GLN 27 0.384 -0.218 -10.589 199 2HG GLN 27 HG1 GLN 27 -1.166 0.532 -10.959 200 1HE2 GLN 27 HE21 GLN 27 1.017 1.066 -12.502 201 2HE2 GLN 27 HE22 GLN 27 1.531 2.697 -12.252 202 H LEU 28 HN LEU 28 -0.692 -0.002 -5.737 203 HA LEU 28 HA LEU 28 0.523 2.341 -4.782 204 1HB LEU 28 HB2 LEU 28 -1.530 1.060 -3.883 205 2HB LEU 28 HB1 LEU 28 -0.376 0.059 -3.026 206 HG LEU 28 HG LEU 28 0.469 2.111 -1.873 207 1HD1 LEU 28 HD11 LEU 28 -0.238 4.164 -2.366 208 2HD1 LEU 28 HD12 LEU 28 -1.930 3.664 -2.438 209 3HD1 LEU 28 HD13 LEU 28 -0.889 3.459 -3.844 210 1HD2 LEU 28 HD21 LEU 28 -2.121 0.817 -1.530 211 2HD2 LEU 28 HD22 LEU 28 -2.067 2.431 -0.817 212 3HD2 LEU 28 HD23 LEU 28 -0.887 1.211 -0.335 213 H TYR 29 HN TYR 29 1.317 -1.073 -4.349 214 HA TYR 29 HA TYR 29 3.570 -0.648 -2.684 215 1HB TYR 29 HB2 TYR 29 2.427 -2.757 -2.628 216 2HB TYR 29 HB1 TYR 29 2.716 -3.018 -4.343 217 HD1 TYR 29 HD1 TYR 29 4.853 -2.135 -1.399 218 HD2 TYR 29 HD2 TYR 29 4.238 -4.690 -4.742 219 HE1 TYR 29 HE1 TYR 29 6.941 -3.322 -0.867 220 HE2 TYR 29 HE2 TYR 29 6.323 -5.886 -4.222 221 HH TYR 29 HH TYR 29 8.218 -5.841 -2.985 222 H LYS 30 HN LYS 30 3.391 -1.541 -6.149 223 HA LYS 30 HA LYS 30 6.161 -1.539 -6.572 224 1HB LYS 30 HB2 LYS 30 5.675 -1.519 -8.932 225 2HB LYS 30 HB1 LYS 30 4.519 -2.558 -8.112 226 1HG LYS 30 HG2 LYS 30 2.978 -0.512 -8.109 227 2HG LYS 30 HG1 LYS 30 4.086 0.147 -9.316 228 1HD LYS 30 HD2 LYS 30 2.730 -2.538 -9.551 229 2HD LYS 30 HD1 LYS 30 2.114 -1.054 -10.276 230 1HE LYS 30 HE2 LYS 30 4.876 -1.363 -10.953 231 2HE LYS 30 HE1 LYS 30 4.012 -2.852 -11.331 232 1HZ LYS 30 HZ1 LYS 30 4.055 -1.186 -13.158 233 2HZ LYS 30 HZ2 LYS 30 3.101 -0.168 -12.203 234 3HZ LYS 30 HZ3 LYS 30 2.499 -1.667 -12.700 235 H LYS 31 HN LYS 31 3.863 1.093 -6.537 236 HA LYS 31 HA LYS 31 5.412 3.029 -7.873 237 1HB LYS 31 HB2 LYS 31 2.992 3.269 -7.282 238 2HB LYS 31 HB1 LYS 31 3.470 3.523 -5.608 239 1HG LYS 31 HG2 LYS 31 3.875 5.670 -5.983 240 2HG LYS 31 HG1 LYS 31 4.934 5.287 -7.341 241 1HD LYS 31 HD2 LYS 31 2.031 5.018 -7.827 242 2HD LYS 31 HD1 LYS 31 2.636 6.661 -7.597 243 1HE LYS 31 HE2 LYS 31 4.136 6.457 -9.422 244 2HE LYS 31 HE1 LYS 31 3.896 4.713 -9.514 245 1HZ LYS 31 HZ1 LYS 31 1.393 5.810 -9.823 246 2HZ LYS 31 HZ2 LYS 31 2.357 5.132 -11.036 247 3HZ LYS 31 HZ3 LYS 31 2.404 6.799 -10.748 248 H VAL 32 HN VAL 32 5.432 1.828 -4.606 249 HA VAL 32 HA VAL 32 7.255 3.836 -3.594 250 HB VAL 32 HB VAL 32 6.610 1.163 -2.341 251 1HG1 VAL 32 HG11 VAL 32 7.104 2.507 -0.249 252 2HG1 VAL 32 HG12 VAL 32 7.754 3.749 -1.317 253 3HG1 VAL 32 HG13 VAL 32 8.481 2.142 -1.287 254 1HG2 VAL 32 HG21 VAL 32 4.731 2.056 -1.297 255 2HG2 VAL 32 HG22 VAL 32 4.609 2.684 -2.940 256 3HG2 VAL 32 HG23 VAL 32 5.207 3.718 -1.642 257 H SER 33 HN SER 33 7.452 0.388 -4.463 258 HA SER 33 HA SER 33 10.274 0.244 -4.030 259 1HB SER 33 HB2 SER 33 8.135 -1.581 -4.543 260 2HB SER 33 HB1 SER 33 9.414 -1.876 -5.721 261 HG SER 33 HG SER 33 9.358 -2.688 -3.249 262 H ALA 34 HN ALA 34 8.704 1.925 -6.310 263 HA ALA 34 HA ALA 34 9.722 1.126 -8.766 264 1HB ALA 34 HB1 ALA 34 9.612 3.744 -9.174 265 2HB ALA 34 HB2 ALA 34 8.728 3.690 -7.650 266 3HB ALA 34 HB3 ALA 34 8.155 2.759 -9.034 267 H LYS 35 HN LYS 35 11.403 2.408 -6.066 268 HA LYS 35 HA LYS 35 13.683 3.177 -7.755 269 1HB LYS 35 HB2 LYS 35 14.572 4.152 -5.586 270 2HB LYS 35 HB1 LYS 35 13.152 4.934 -6.267 271 1HG LYS 35 HG2 LYS 35 11.765 4.181 -4.610 272 2HG LYS 35 HG1 LYS 35 12.777 2.782 -4.249 273 1HD LYS 35 HD2 LYS 35 13.599 5.624 -3.677 274 2HD LYS 35 HD1 LYS 35 12.784 4.593 -2.498 275 1HE LYS 35 HE2 LYS 35 14.616 2.994 -2.613 276 2HE LYS 35 HE1 LYS 35 15.415 3.973 -3.840 277 1HZ LYS 35 HZ1 LYS 35 15.395 4.286 -0.994 278 2HZ LYS 35 HZ2 LYS 35 14.993 5.718 -1.800 279 3HZ LYS 35 HZ3 LYS 35 16.453 4.937 -2.143 280 H THR 36 HN THR 36 12.554 0.578 -5.967 281 HA THR 36 HA THR 36 14.861 -0.959 -6.304 282 HB THR 36 HB THR 36 15.933 0.319 -4.598 283 HG1 THR 36 HG1 THR 36 15.136 -1.758 -2.955 284 1HG2 THR 36 HG21 THR 36 13.619 -0.217 -2.754 285 2HG2 THR 36 HG22 THR 36 13.891 1.306 -3.598 286 3HG2 THR 36 HG23 THR 36 15.066 0.735 -2.416 287 H SER 37 HN SER 37 14.627 -3.130 -5.473 288 HA SER 37 HA SER 37 11.820 -3.837 -5.129 289 1HB SER 37 HB2 SER 37 12.996 -5.080 -6.825 290 2HB SER 37 HB1 SER 37 14.274 -5.517 -5.690 291 HG SER 37 HG SER 37 11.996 -6.797 -6.180 292 H ASN 38 HN ASN 38 12.953 -2.589 -2.900 293 HA ASN 38 HA ASN 38 13.705 -4.603 -0.975 294 1HB ASN 38 HB2 ASN 38 13.510 -1.664 -1.012 295 2HB ASN 38 HB1 ASN 38 13.100 -2.413 0.531 296 1HD2 ASN 38 HD21 ASN 38 14.665 -4.183 1.184 297 2HD2 ASN 38 HD22 ASN 38 16.342 -3.801 1.024 298 H GLU 39 HN GLU 39 12.091 -6.045 -0.626 299 HA GLU 39 HA GLU 39 9.357 -5.486 -0.571 300 1HB GLU 39 HB2 GLU 39 10.906 -7.703 0.773 301 2HB GLU 39 HB1 GLU 39 9.153 -7.661 0.642 302 1HG GLU 39 HG2 GLU 39 9.220 -7.891 -1.701 303 2HG GLU 39 HG1 GLU 39 10.947 -7.537 -1.761 304 H GLU 40 HN GLU 40 11.795 -5.110 1.872 305 HA GLU 40 HA GLU 40 9.895 -4.805 4.030 306 1HB GLU 40 HB2 GLU 40 12.875 -4.321 3.890 307 2HB GLU 40 HB1 GLU 40 11.912 -4.171 5.354 308 1HG GLU 40 HG2 GLU 40 11.859 -6.724 3.816 309 2HG GLU 40 HG1 GLU 40 13.236 -6.357 4.855 310 H ALA 41 HN ALA 41 11.512 -2.820 1.720 311 HA ALA 41 HA ALA 41 11.217 -0.337 3.107 312 1HB ALA 41 HB1 ALA 41 11.854 -1.059 0.268 313 2HB ALA 41 HB2 ALA 41 12.938 -0.430 1.508 314 3HB ALA 41 HB3 ALA 41 11.694 0.602 0.811 315 H ALA 42 HN ALA 42 9.802 -1.306 0.003 316 HA ALA 42 HA ALA 42 7.764 0.594 0.042 317 1HB ALA 42 HB1 ALA 42 8.183 -1.930 -1.512 318 2HB ALA 42 HB2 ALA 42 8.245 -0.254 -2.059 319 3HB ALA 42 HB3 ALA 42 6.693 -1.002 -1.682 320 H GLY 43 HN GLY 43 7.978 -2.595 1.442 321 1HA GLY 43 HA2 GLY 43 5.210 -3.011 1.888 322 2HA GLY 43 HA1 GLY 43 6.528 -3.777 2.770 323 H LYS 44 HN LYS 44 7.639 -1.089 3.464 324 HA LYS 44 HA LYS 44 6.226 -0.779 5.936 325 1HB LYS 44 HB2 LYS 44 8.600 0.504 4.662 326 2HB LYS 44 HB1 LYS 44 7.803 1.362 5.972 327 1HG LYS 44 HG2 LYS 44 8.964 -1.411 6.109 328 2HG LYS 44 HG1 LYS 44 9.660 0.054 6.803 329 1HD LYS 44 HD2 LYS 44 8.353 -0.076 8.614 330 2HD LYS 44 HD1 LYS 44 6.908 -0.382 7.647 331 1HE LYS 44 HE2 LYS 44 7.671 -2.742 7.391 332 2HE LYS 44 HE1 LYS 44 8.972 -2.391 8.528 333 1HZ LYS 44 HZ1 LYS 44 6.174 -1.859 9.269 334 2HZ LYS 44 HZ2 LYS 44 7.501 -2.165 10.270 335 3HZ LYS 44 HZ3 LYS 44 6.800 -3.427 9.390 336 H ILE 45 HN ILE 45 6.803 1.389 3.188 337 HA ILE 45 HA ILE 45 5.037 3.422 4.018 338 HB ILE 45 HB ILE 45 6.026 2.724 1.260 339 1HG1 ILE 45 HG12 ILE 45 7.029 4.853 3.160 340 2HG1 ILE 45 HG11 ILE 45 7.761 3.258 2.992 341 1HG2 ILE 45 HG21 ILE 45 4.059 4.621 2.059 342 2HG2 ILE 45 HG22 ILE 45 4.692 4.290 0.447 343 3HG2 ILE 45 HG23 ILE 45 5.484 5.482 1.477 344 1HD1 ILE 45 HD11 ILE 45 8.650 3.733 0.977 345 2HD1 ILE 45 HD12 ILE 45 8.633 5.354 1.677 346 3HD1 ILE 45 HD13 ILE 45 7.369 4.865 0.546 347 H THR 46 HN THR 46 4.616 0.597 1.938 348 HA THR 46 HA THR 46 2.118 1.167 0.868 349 HB THR 46 HB THR 46 3.265 -1.504 1.705 350 HG1 THR 46 HG1 THR 46 3.080 -0.353 -0.873 351 1HG2 THR 46 HG21 THR 46 1.424 -1.602 -0.506 352 2HG2 THR 46 HG22 THR 46 0.632 -1.033 0.964 353 3HG2 THR 46 HG23 THR 46 1.481 -2.579 0.960 354 H GLY 47 HN GLY 47 2.967 -0.205 4.016 355 1HA GLY 47 HA2 GLY 47 0.352 -0.821 4.860 356 2HA GLY 47 HA1 GLY 47 1.727 -0.519 5.917 357 H MET 48 HN MET 48 2.194 2.163 4.874 358 HA MET 48 HA MET 48 0.424 3.586 6.601 359 1HB MET 48 HB2 MET 48 2.349 4.712 4.562 360 2HB MET 48 HB1 MET 48 1.664 5.559 5.943 361 1HG MET 48 HG2 MET 48 3.054 3.124 6.696 362 2HG MET 48 HG1 MET 48 4.092 4.272 5.852 363 1HE MET 48 HE1 MET 48 5.536 5.156 8.898 364 2HE MET 48 HE2 MET 48 5.295 6.487 7.767 365 3HE MET 48 HE3 MET 48 5.585 4.855 7.161 366 H ILE 49 HN ILE 49 0.936 3.565 3.083 367 HA ILE 49 HA ILE 49 -1.324 5.230 2.550 368 HB ILE 49 HB ILE 49 0.073 3.417 0.587 369 1HG1 ILE 49 HG12 ILE 49 0.853 6.278 0.846 370 2HG1 ILE 49 HG11 ILE 49 1.469 5.164 2.062 371 1HG2 ILE 49 HG21 ILE 49 -1.880 4.292 -0.367 372 2HG2 ILE 49 HG22 ILE 49 -0.583 5.333 -0.954 373 3HG2 ILE 49 HG23 ILE 49 -1.626 5.880 0.357 374 1HD1 ILE 49 HD11 ILE 49 2.996 5.525 0.150 375 2HD1 ILE 49 HD12 ILE 49 1.793 4.776 -0.899 376 3HD1 ILE 49 HD13 ILE 49 2.544 3.837 0.392 377 H LEU 50 HN LEU 50 -1.155 2.167 3.662 378 HA LEU 50 HA LEU 50 -3.128 0.884 2.027 379 1HB LEU 50 HB2 LEU 50 -1.278 0.044 3.901 380 2HB LEU 50 HB1 LEU 50 -2.803 -0.165 4.734 381 HG LEU 50 HG LEU 50 -1.958 -2.189 3.510 382 1HD1 LEU 50 HD11 LEU 50 -4.274 -2.012 4.165 383 2HD1 LEU 50 HD12 LEU 50 -4.162 -2.758 2.570 384 3HD1 LEU 50 HD13 LEU 50 -4.641 -1.067 2.721 385 1HD2 LEU 50 HD21 LEU 50 -1.263 -0.680 1.502 386 2HD2 LEU 50 HD22 LEU 50 -2.935 -0.914 0.992 387 3HD2 LEU 50 HD23 LEU 50 -1.877 -2.307 1.210 388 H ASP 51 HN ASP 51 -3.476 3.478 3.882 389 HA ASP 51 HA ASP 51 -5.710 2.767 5.512 390 1HB ASP 51 HB2 ASP 51 -4.008 5.022 5.195 391 2HB ASP 51 HB1 ASP 51 -5.662 5.576 4.950 392 H LEU 52 HN LEU 52 -5.259 3.646 2.191 393 HA LEU 52 HA LEU 52 -8.046 4.409 1.837 394 1HB LEU 52 HB2 LEU 52 -5.717 4.166 -0.055 395 2HB LEU 52 HB1 LEU 52 -7.345 4.509 -0.605 396 HG LEU 52 HG LEU 52 -7.379 6.600 0.597 397 1HD1 LEU 52 HD11 LEU 52 -5.323 7.384 1.774 398 2HD1 LEU 52 HD12 LEU 52 -4.695 5.741 1.655 399 3HD1 LEU 52 HD13 LEU 52 -6.164 6.059 2.578 400 1HD2 LEU 52 HD21 LEU 52 -4.699 6.874 -0.553 401 2HD2 LEU 52 HD22 LEU 52 -6.203 7.698 -0.965 402 3HD2 LEU 52 HD23 LEU 52 -5.873 6.092 -1.612 403 HA PRO 53 HA PRO 53 -9.501 0.231 1.344 404 1HB PRO 53 HB2 PRO 53 -11.366 1.521 -0.586 405 2HB PRO 53 HB1 PRO 53 -11.712 0.435 0.760 406 1HG PRO 53 HG2 PRO 53 -12.161 3.083 0.925 407 2HG PRO 53 HG1 PRO 53 -11.652 2.120 2.322 408 1HD PRO 53 HD2 PRO 53 -10.116 4.078 0.721 409 2HD PRO 53 HD1 PRO 53 -9.904 3.581 2.410 410 HA PRO 54 HA PRO 54 -7.809 -1.648 -2.254 411 1HB PRO 54 HB2 PRO 54 -10.582 -2.523 -2.964 412 2HB PRO 54 HB1 PRO 54 -9.088 -3.469 -2.896 413 1HG PRO 54 HG2 PRO 54 -10.839 -3.658 -0.923 414 2HG PRO 54 HG1 PRO 54 -9.107 -3.564 -0.562 415 1HD PRO 54 HD2 PRO 54 -11.210 -1.459 -0.320 416 2HD PRO 54 HD1 PRO 54 -9.816 -1.786 0.728 417 H GLN 55 HN GLN 55 -11.070 -0.566 -3.249 418 HA GLN 55 HA GLN 55 -10.071 0.285 -5.805 419 1HB GLN 55 HB2 GLN 55 -12.768 1.009 -4.694 420 2HB GLN 55 HB1 GLN 55 -12.289 0.817 -6.376 421 1HG GLN 55 HG2 GLN 55 -11.806 -1.645 -5.070 422 2HG GLN 55 HG1 GLN 55 -13.419 -1.097 -4.607 423 1HE2 GLN 55 HE21 GLN 55 -11.330 -1.625 -7.413 424 2HE2 GLN 55 HE22 GLN 55 -12.605 -2.037 -8.505 425 H GLU 56 HN GLU 56 -11.047 1.902 -2.819 426 HA GLU 56 HA GLU 56 -11.009 4.537 -3.782 427 1HB GLU 56 HB2 GLU 56 -11.119 3.228 -1.183 428 2HB GLU 56 HB1 GLU 56 -10.217 4.734 -1.131 429 1HG GLU 56 HG2 GLU 56 -12.869 4.671 -2.484 430 2HG GLU 56 HG1 GLU 56 -12.792 4.703 -0.722 431 H VAL 57 HN VAL 57 -8.426 2.370 -3.178 432 HA VAL 57 HA VAL 57 -6.473 4.470 -2.778 433 HB VAL 57 HB VAL 57 -6.253 2.247 -1.660 434 1HG1 VAL 57 HG11 VAL 57 -6.491 1.306 -4.348 435 2HG1 VAL 57 HG12 VAL 57 -6.500 0.393 -2.843 436 3HG1 VAL 57 HG13 VAL 57 -4.973 0.748 -3.652 437 1HG2 VAL 57 HG21 VAL 57 -4.240 3.794 -2.969 438 2HG2 VAL 57 HG22 VAL 57 -3.755 2.100 -2.962 439 3HG2 VAL 57 HG23 VAL 57 -4.145 2.912 -1.445 440 H PHE 58 HN PHE 58 -7.775 2.582 -5.381 441 HA PHE 58 HA PHE 58 -5.816 2.577 -7.273 442 1HB PHE 58 HB2 PHE 58 -8.772 3.079 -7.676 443 2HB PHE 58 HB1 PHE 58 -7.653 2.824 -9.001 444 HD1 PHE 58 HD1 PHE 58 -9.359 1.030 -9.551 445 HD2 PHE 58 HD2 PHE 58 -6.825 0.872 -6.145 446 HE1 PHE 58 HE1 PHE 58 -9.727 -1.394 -9.401 447 HE2 PHE 58 HE2 PHE 58 -7.192 -1.556 -5.979 448 HZ PHE 58 HZ PHE 58 -8.640 -2.682 -7.621 449 HA PRO 59 HA PRO 59 -7.130 7.037 -8.843 450 1HB PRO 59 HB2 PRO 59 -8.214 8.146 -6.312 451 2HB PRO 59 HB1 PRO 59 -8.770 8.374 -7.974 452 1HG PRO 59 HG2 PRO 59 -10.124 6.820 -6.290 453 2HG PRO 59 HG1 PRO 59 -9.934 6.364 -7.992 454 1HD PRO 59 HD2 PRO 59 -8.492 5.333 -5.584 455 2HD PRO 59 HD1 PRO 59 -9.100 4.453 -6.997 456 H LEU 60 HN LEU 60 -5.955 6.370 -5.629 457 HA LEU 60 HA LEU 60 -4.310 8.745 -5.538 458 1HB LEU 60 HB2 LEU 60 -5.119 8.105 -3.440 459 2HB LEU 60 HB1 LEU 60 -4.794 6.409 -3.726 460 HG LEU 60 HG LEU 60 -2.290 7.718 -3.770 461 1HD1 LEU 60 HD11 LEU 60 -3.070 9.617 -2.657 462 2HD1 LEU 60 HD12 LEU 60 -2.326 8.611 -1.416 463 3HD1 LEU 60 HD13 LEU 60 -4.084 8.665 -1.571 464 1HD2 LEU 60 HD21 LEU 60 -3.609 5.547 -2.447 465 2HD2 LEU 60 HD22 LEU 60 -2.644 6.453 -1.285 466 3HD2 LEU 60 HD23 LEU 60 -1.887 5.794 -2.734 467 H LEU 61 HN LEU 61 -3.795 5.246 -5.714 468 HA LEU 61 HA LEU 61 -1.009 5.346 -5.937 469 1HB LEU 61 HB2 LEU 61 -1.300 3.035 -6.997 470 2HB LEU 61 HB1 LEU 61 -1.843 3.265 -5.349 471 HG LEU 61 HG LEU 61 -4.149 3.761 -6.657 472 1HD1 LEU 61 HD11 LEU 61 -4.387 2.066 -8.427 473 2HD1 LEU 61 HD12 LEU 61 -2.653 1.787 -8.356 474 3HD1 LEU 61 HD13 LEU 61 -3.271 3.360 -8.858 475 1HD2 LEU 61 HD21 LEU 61 -2.930 1.279 -5.548 476 2HD2 LEU 61 HD22 LEU 61 -4.508 1.185 -6.329 477 3HD2 LEU 61 HD23 LEU 61 -4.274 2.244 -4.938 478 H GLU 62 HN GLU 62 -3.291 6.363 -8.212 479 HA GLU 62 HA GLU 62 -1.480 5.775 -10.445 480 1HB GLU 62 HB2 GLU 62 -3.391 6.419 -11.897 481 2HB GLU 62 HB1 GLU 62 -3.714 5.029 -10.872 482 1HG GLU 62 HG2 GLU 62 -5.590 6.048 -10.290 483 2HG GLU 62 HG1 GLU 62 -4.596 7.170 -9.365 484 H SER 63 HN SER 63 -2.318 8.293 -8.355 485 HA SER 63 HA SER 63 -1.483 10.304 -10.332 486 1HB SER 63 HB2 SER 63 -3.599 10.920 -9.458 487 2HB SER 63 HB1 SER 63 -3.116 10.529 -7.810 488 HG SER 63 HG SER 63 -2.344 12.731 -9.405 489 H ASP 64 HN ASP 64 0.450 11.148 -10.185 490 HA ASP 64 HA ASP 64 2.362 10.359 -8.318 491 1HB ASP 64 HB2 ASP 64 2.288 11.918 -10.675 492 2HB ASP 64 HB1 ASP 64 3.066 12.909 -9.444 493 H GLU 65 HN GLU 65 0.561 13.419 -8.538 494 HA GLU 65 HA GLU 65 1.740 14.643 -6.298 495 1HB GLU 65 HB2 GLU 65 -0.870 15.054 -7.728 496 2HB GLU 65 HB1 GLU 65 -0.486 15.967 -6.276 497 1HG GLU 65 HG2 GLU 65 0.914 17.316 -7.353 498 2HG GLU 65 HG1 GLU 65 1.668 15.985 -8.229 499 H LEU 66 HN LEU 66 -1.205 12.712 -6.608 500 HA LEU 66 HA LEU 66 -2.075 12.915 -3.953 501 1HB LEU 66 HB2 LEU 66 -2.749 11.432 -6.311 502 2HB LEU 66 HB1 LEU 66 -2.781 10.359 -4.925 503 HG LEU 66 HG LEU 66 -4.965 11.489 -5.561 504 1HD1 LEU 66 HD11 LEU 66 -4.524 10.379 -3.405 505 2HD1 LEU 66 HD12 LEU 66 -5.642 11.736 -3.264 506 3HD1 LEU 66 HD13 LEU 66 -3.964 11.920 -2.751 507 1HD2 LEU 66 HD21 LEU 66 -4.190 13.864 -4.007 508 2HD2 LEU 66 HD22 LEU 66 -5.260 13.716 -5.401 509 3HD2 LEU 66 HD23 LEU 66 -3.513 13.770 -5.633 510 H PHE 67 HN PHE 67 0.361 10.913 -5.442 511 HA PHE 67 HA PHE 67 0.591 9.101 -3.223 512 1HB PHE 67 HB2 PHE 67 1.293 8.827 -5.784 513 2HB PHE 67 HB1 PHE 67 2.831 9.412 -5.161 514 HD1 PHE 67 HD1 PHE 67 4.257 8.000 -3.882 515 HD2 PHE 67 HD2 PHE 67 0.300 6.748 -4.850 516 HE1 PHE 67 HE1 PHE 67 4.783 5.735 -3.096 517 HE2 PHE 67 HE2 PHE 67 0.833 4.477 -4.070 518 HZ PHE 67 HZ PHE 67 3.071 3.970 -3.188 519 H GLU 68 HN GLU 68 2.613 11.730 -4.521 520 HA GLU 68 HA GLU 68 4.707 11.718 -2.799 521 1HB GLU 68 HB2 GLU 68 3.222 13.992 -4.070 522 2HB GLU 68 HB1 GLU 68 4.581 14.307 -3.001 523 1HG GLU 68 HG2 GLU 68 6.047 13.009 -4.417 524 2HG GLU 68 HG1 GLU 68 4.696 12.585 -5.466 525 H GLN 69 HN GLN 69 1.594 13.340 -2.164 526 HA GLN 69 HA GLN 69 2.245 14.362 0.359 527 1HB GLN 69 HB2 GLN 69 -0.136 14.047 -1.259 528 2HB GLN 69 HB1 GLN 69 -0.493 13.758 0.440 529 1HG GLN 69 HG2 GLN 69 1.161 16.121 -0.044 530 2HG GLN 69 HG1 GLN 69 -0.443 16.195 -0.774 531 1HE2 GLN 69 HE21 GLN 69 -1.535 17.526 0.523 532 2HE2 GLN 69 HE22 GLN 69 -1.734 17.316 2.226 533 H HIS 70 HN HIS 70 0.275 11.478 -0.342 534 HA HIS 70 HA HIS 70 0.211 10.561 2.318 535 1HB HIS 70 HB2 HIS 70 -0.584 9.528 -0.302 536 2HB HIS 70 HB1 HIS 70 -0.056 8.261 0.799 537 HD2 HIS 70 HD2 HIS 70 -3.102 10.490 0.158 538 HE1 HIS 70 HE1 HIS 70 -3.787 8.490 3.837 539 HE2 HIS 70 HE2 HIS 70 -4.761 10.013 2.083 540 H TYR 71 HN TYR 71 2.215 9.475 -0.425 541 HA TYR 71 HA TYR 71 3.790 7.703 1.101 542 1HB TYR 71 HB2 TYR 71 3.933 7.213 -1.138 543 2HB TYR 71 HB1 TYR 71 3.941 8.899 -1.622 544 HD1 TYR 71 HD1 TYR 71 5.960 10.023 -2.075 545 HD2 TYR 71 HD2 TYR 71 6.051 6.201 -0.217 546 HE1 TYR 71 HE1 TYR 71 8.391 9.919 -2.425 547 HE2 TYR 71 HE2 TYR 71 8.481 6.084 -0.560 548 HH TYR 71 HH TYR 71 10.360 7.468 -0.988 549 H LYS 72 HN LYS 72 3.708 11.097 1.058 550 HA LYS 72 HA LYS 72 6.412 11.764 1.400 551 1HB LYS 72 HB2 LYS 72 4.084 13.209 1.327 552 2HB LYS 72 HB1 LYS 72 4.510 13.325 3.025 553 1HG LYS 72 HG2 LYS 72 6.557 14.376 2.553 554 2HG LYS 72 HG1 LYS 72 6.469 13.958 0.842 555 1HD LYS 72 HD2 LYS 72 4.143 15.462 1.622 556 2HD LYS 72 HD1 LYS 72 5.609 16.329 2.076 557 1HE LYS 72 HE2 LYS 72 5.892 16.964 -0.030 558 2HE LYS 72 HE1 LYS 72 5.994 15.276 -0.530 559 1HZ LYS 72 HZ1 LYS 72 4.234 16.551 -1.675 560 2HZ LYS 72 HZ2 LYS 72 3.446 16.761 -0.194 561 3HZ LYS 72 HZ3 LYS 72 3.638 15.208 -0.836 562 H GLU 73 HN GLU 73 3.939 11.610 3.957 563 HA GLU 73 HA GLU 73 5.642 11.636 6.134 564 1HB GLU 73 HB2 GLU 73 2.861 11.096 5.661 565 2HB GLU 73 HB1 GLU 73 3.486 9.932 6.822 566 1HG GLU 73 HG2 GLU 73 3.909 11.519 8.403 567 2HG GLU 73 HG1 GLU 73 4.154 12.797 7.215 568 H ALA 74 HN ALA 74 4.521 8.890 4.224 569 HA ALA 74 HA ALA 74 5.737 6.901 5.845 570 1HB ALA 74 HB1 ALA 74 4.169 5.888 4.581 571 2HB ALA 74 HB2 ALA 74 5.516 5.680 3.465 572 3HB ALA 74 HB3 ALA 74 4.379 7.004 3.233 573 H SER 75 HN SER 75 6.832 8.869 3.163 574 HA SER 75 HA SER 75 9.075 7.384 2.408 575 1HB SER 75 HB2 SER 75 8.183 9.346 1.145 576 2HB SER 75 HB1 SER 75 8.825 10.407 2.399 577 HG SER 75 HG SER 75 10.392 8.593 0.879 578 H ALA 76 HN ALA 76 8.865 10.124 4.690 579 HA ALA 76 HA ALA 76 11.455 10.246 5.572 580 1HB ALA 76 HB1 ALA 76 10.410 10.860 7.849 581 2HB ALA 76 HB2 ALA 76 8.864 10.661 7.025 582 3HB ALA 76 HB3 ALA 76 10.020 11.861 6.451 583 H ALA 77 HN ALA 77 8.968 7.941 6.498 584 HA ALA 77 HA ALA 77 10.531 6.615 8.496 585 1HB ALA 77 HB1 ALA 77 8.224 5.389 7.022 586 2HB ALA 77 HB2 ALA 77 7.988 6.626 8.257 587 3HB ALA 77 HB3 ALA 77 8.757 5.095 8.676 588 H TYR 78 HN TYR 78 10.097 6.346 5.080 589 HA TYR 78 HA TYR 78 10.946 3.815 4.445 590 1HB TYR 78 HB2 TYR 78 10.247 5.759 2.898 591 2HB TYR 78 HB1 TYR 78 11.938 6.234 2.942 592 HD1 TYR 78 HD1 TYR 78 10.170 5.340 0.541 593 HD2 TYR 78 HD2 TYR 78 13.004 3.309 2.974 594 HE1 TYR 78 HE1 TYR 78 10.630 3.784 -1.310 595 HE2 TYR 78 HE2 TYR 78 13.482 1.755 1.151 596 HH TYR 78 HH TYR 78 13.072 1.222 -0.992 597 H GLU 79 HN GLU 79 13.048 6.670 4.715 598 HA GLU 79 HA GLU 79 15.476 5.289 4.504 599 1HB GLU 79 HB2 GLU 79 14.833 7.952 5.772 600 2HB GLU 79 HB1 GLU 79 16.470 7.356 5.527 601 1HG GLU 79 HG2 GLU 79 16.455 8.194 3.486 602 2HG GLU 79 HG1 GLU 79 15.134 7.106 3.062 603 H SER 80 HN SER 80 13.789 6.433 7.429 604 HA SER 80 HA SER 80 15.654 5.577 9.284 605 1HB SER 80 HB2 SER 80 12.657 5.820 9.556 606 2HB SER 80 HB1 SER 80 13.770 5.623 10.911 607 HG SER 80 HG SER 80 14.144 7.677 10.809 608 H PHE 81 HN PHE 81 12.812 3.849 8.031 609 HA PHE 81 HA PHE 81 13.265 1.524 9.586 610 1HB PHE 81 HB2 PHE 81 11.364 2.390 7.548 611 2HB PHE 81 HB1 PHE 81 11.753 0.676 7.438 612 HD1 PHE 81 HD1 PHE 81 11.156 -0.853 9.216 613 HD2 PHE 81 HD2 PHE 81 10.220 3.290 9.474 614 HE1 PHE 81 HE1 PHE 81 9.603 -1.323 11.065 615 HE2 PHE 81 HE2 PHE 81 8.666 2.827 11.324 616 HZ PHE 81 HZ PHE 81 8.357 0.518 12.125 617 H LYS 82 HN LYS 82 14.090 2.413 6.256 618 HA LYS 82 HA LYS 82 15.186 -0.150 5.646 619 1HB LYS 82 HB2 LYS 82 14.872 2.398 4.247 620 2HB LYS 82 HB1 LYS 82 16.305 1.488 3.793 621 1HG LYS 82 HG2 LYS 82 13.714 0.046 3.952 622 2HG LYS 82 HG1 LYS 82 14.003 1.120 2.587 623 1HD LYS 82 HD2 LYS 82 14.854 -0.831 1.736 624 2HD LYS 82 HD1 LYS 82 16.304 -0.172 2.490 625 1HE LYS 82 HE2 LYS 82 15.407 -1.525 4.576 626 2HE LYS 82 HE1 LYS 82 14.587 -2.457 3.326 627 1HZ LYS 82 HZ1 LYS 82 17.443 -2.232 3.909 628 2HZ LYS 82 HZ2 LYS 82 16.992 -2.414 2.288 629 3HZ LYS 82 HZ3 LYS 82 16.539 -3.579 3.428 630 H LYS 83 HN LYS 83 16.421 2.732 7.128 631 HA LYS 83 HA LYS 83 19.191 1.923 6.749 632 1HB LYS 83 HB2 LYS 83 17.877 4.299 8.036 633 2HB LYS 83 HB1 LYS 83 19.588 3.966 8.267 634 1HG LYS 83 HG2 LYS 83 19.289 3.783 5.543 635 2HG LYS 83 HG1 LYS 83 18.197 5.100 5.980 636 1HD LYS 83 HD2 LYS 83 20.322 5.777 7.463 637 2HD LYS 83 HD1 LYS 83 21.146 4.931 6.153 638 1HE LYS 83 HE2 LYS 83 19.602 6.408 4.639 639 2HE LYS 83 HE1 LYS 83 19.519 7.429 6.075 640 1HZ LYS 83 HZ1 LYS 83 21.310 8.089 4.573 641 2HZ LYS 83 HZ2 LYS 83 22.025 6.564 4.736 642 3HZ LYS 83 HZ3 LYS 83 21.917 7.592 6.073 643 H GLU 84 HN GLU 84 17.031 2.570 9.509 644 HA GLU 84 HA GLU 84 18.834 1.156 11.294 645 1HB GLU 84 HB2 GLU 84 16.392 2.843 11.642 646 2HB GLU 84 HB1 GLU 84 16.847 1.734 12.927 647 1HG GLU 84 HG2 GLU 84 19.187 2.858 12.675 648 2HG GLU 84 HG1 GLU 84 18.258 4.157 11.926 649 H GLN 85 HN GLN 85 17.873 -0.547 9.370 650 HA GLN 85 HA GLN 85 15.600 -1.990 10.434 651 1HB GLN 85 HB2 GLN 85 16.118 -3.573 8.523 652 2HB GLN 85 HB1 GLN 85 15.681 -1.933 8.065 653 1HG GLN 85 HG2 GLN 85 17.610 -1.621 7.026 654 2HG GLN 85 HG1 GLN 85 18.531 -2.194 8.414 655 1HE2 GLN 85 HE21 GLN 85 19.999 -3.339 7.211 656 2HE2 GLN 85 HE22 GLN 85 19.595 -4.784 6.353 657 H GLU 86 HN GLU 86 17.340 -1.981 12.407 658 HA GLU 86 HA GLU 86 19.173 -4.183 12.338 659 1HB GLU 86 HB2 GLU 86 18.168 -2.407 14.560 660 2HB GLU 86 HB1 GLU 86 19.308 -3.718 14.833 661 1HG GLU 86 HG2 GLU 86 21.023 -2.631 13.804 662 2HG GLU 86 HG1 GLU 86 19.956 -1.734 12.725 663 H GLN 87 HN GLN 87 15.895 -4.116 12.418 664 HA GLN 87 HA GLN 87 15.524 -6.272 14.331 665 1HB GLN 87 HB2 GLN 87 13.922 -4.213 13.693 666 2HB GLN 87 HB1 GLN 87 13.316 -5.400 12.546 667 1HG GLN 87 HG2 GLN 87 13.221 -6.943 14.653 668 2HG GLN 87 HG1 GLN 87 13.211 -5.408 15.520 669 1HE2 GLN 87 HE21 GLN 87 11.340 -7.713 14.004 670 2HE2 GLN 87 HE22 GLN 87 9.875 -6.811 13.849 671 H GLN 88 HN GLN 88 15.745 -5.732 10.897 672 HA GLN 88 HA GLN 88 14.729 -8.327 10.185 673 1HB GLN 88 HB2 GLN 88 14.685 -6.143 8.785 674 2HB GLN 88 HB1 GLN 88 16.332 -6.576 8.349 675 1HG GLN 88 HG2 GLN 88 15.327 -8.850 7.688 676 2HG GLN 88 HG1 GLN 88 13.781 -8.003 7.720 677 1HE2 GLN 88 HE21 GLN 88 14.702 -9.147 5.412 678 2HE2 GLN 88 HE22 GLN 88 15.128 -7.912 4.279 679 H THR 89 HN THR 89 17.597 -7.341 11.520 680 HA THR 89 HA THR 89 19.302 -9.171 10.041 681 HB THR 89 HB THR 89 20.240 -7.032 10.740 682 HG1 THR 89 HG1 THR 89 21.446 -8.967 12.395 683 1HG2 THR 89 HG21 THR 89 18.947 -7.577 13.213 684 2HG2 THR 89 HG22 THR 89 19.781 -6.113 12.690 685 3HG2 THR 89 HG23 THR 89 20.679 -7.402 13.491 686 H GLU 90 HN GLU 90 18.423 -11.184 10.501 687 HA GLU 90 HA GLU 90 17.776 -12.096 13.091 688 1HB GLU 90 HB2 GLU 90 17.379 -13.042 10.571 689 2HB GLU 90 HB1 GLU 90 18.646 -14.124 11.133 690 1HG GLU 90 HG2 GLU 90 16.609 -15.183 11.632 691 2HG GLU 90 HG1 GLU 90 17.220 -14.554 13.162 692 H GLN 91 HN GLN 91 19.006 -12.793 14.702 693 HA GLN 91 HA GLN 91 21.880 -12.942 14.320 694 1HB GLN 91 HB2 GLN 91 21.961 -13.128 16.783 695 2HB GLN 91 HB1 GLN 91 21.065 -11.715 16.244 696 1HG GLN 91 HG2 GLN 91 19.307 -12.353 17.416 697 2HG GLN 91 HG1 GLN 91 19.242 -13.876 16.529 698 1HE2 GLN 91 HE21 GLN 91 19.276 -15.587 17.780 699 2HE2 GLN 91 HE22 GLN 91 20.079 -15.728 19.303 700 H ALA 92 HN ALA 92 23.110 -14.725 15.336 701 HA ALA 92 HA ALA 92 21.818 -17.289 14.731 702 1HB ALA 92 HB1 ALA 92 24.271 -18.091 14.832 703 2HB ALA 92 HB2 ALA 92 24.671 -16.376 14.751 704 3HB ALA 92 HB3 ALA 92 23.750 -17.130 13.449 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -38.515 -11.197 18.114 2 2H GLY 1 HT2 GLY 1 -37.685 -9.749 18.385 3 3H GLY 1 HT3 GLY 1 -37.922 -10.838 19.658 4 1HA GLY 1 HA1 GLY 1 -35.753 -11.284 19.116 5 2HA GLY 1 HA2 GLY 1 -36.628 -12.487 18.179 6 HA PRO 2 HA PRO 2 -34.056 -9.315 15.545 7 1HB PRO 2 HB2 PRO 2 -31.727 -10.734 15.289 8 2HB PRO 2 HB1 PRO 2 -31.971 -9.447 16.474 9 1HG PRO 2 HG2 PRO 2 -32.153 -12.413 16.832 10 2HG PRO 2 HG1 PRO 2 -31.420 -11.198 17.898 11 1HD PRO 2 HD2 PRO 2 -33.848 -12.240 18.397 12 2HD PRO 2 HD1 PRO 2 -33.465 -10.545 18.767 13 H LEU 3 HN LEU 3 -34.524 -9.557 13.463 14 HA LEU 3 HA LEU 3 -35.355 -12.075 12.409 15 1HB LEU 3 HB2 LEU 3 -34.837 -9.468 10.978 16 2HB LEU 3 HB1 LEU 3 -35.683 -10.850 10.310 17 HG LEU 3 HG LEU 3 -36.832 -9.863 12.824 18 1HD1 LEU 3 HD11 LEU 3 -36.406 -7.693 12.172 19 2HD1 LEU 3 HD12 LEU 3 -37.981 -7.989 11.438 20 3HD1 LEU 3 HD13 LEU 3 -36.519 -8.072 10.455 21 1HD2 LEU 3 HD21 LEU 3 -37.681 -11.549 10.986 22 2HD2 LEU 3 HD22 LEU 3 -38.292 -10.072 10.241 23 3HD2 LEU 3 HD23 LEU 3 -38.803 -10.515 11.869 24 H GLY 4 HN GLY 4 -34.250 -13.535 11.238 25 1HA GLY 4 HA2 GLY 4 -31.394 -13.174 10.950 26 2HA GLY 4 HA1 GLY 4 -32.307 -14.629 10.577 27 H SER 5 HN SER 5 -30.225 -13.426 8.990 28 HA SER 5 HA SER 5 -31.714 -12.441 6.659 29 1HB SER 5 HB2 SER 5 -29.242 -11.683 7.825 30 2HB SER 5 HB1 SER 5 -28.878 -12.381 6.248 31 HG SER 5 HG SER 5 -30.397 -10.923 5.345 32 HA PRO 6 HA PRO 6 -31.311 -16.838 5.388 33 1HB PRO 6 HB2 PRO 6 -32.700 -15.567 3.072 34 2HB PRO 6 HB1 PRO 6 -33.050 -17.090 3.894 35 1HG PRO 6 HG2 PRO 6 -34.553 -14.937 4.330 36 2HG PRO 6 HG1 PRO 6 -34.142 -16.045 5.651 37 1HD PRO 6 HD2 PRO 6 -33.070 -13.333 5.051 38 2HD PRO 6 HD1 PRO 6 -33.324 -14.132 6.613 39 H ARG 7 HN ARG 7 -29.481 -17.537 4.503 40 HA ARG 7 HA ARG 7 -27.811 -15.855 2.911 41 1HB ARG 7 HB2 ARG 7 -27.524 -18.256 4.386 42 2HB ARG 7 HB1 ARG 7 -27.030 -18.612 2.737 43 1HG ARG 7 HG2 ARG 7 -25.070 -17.938 3.785 44 2HG ARG 7 HG1 ARG 7 -25.597 -16.499 2.909 45 1HD ARG 7 HD2 ARG 7 -26.682 -15.713 5.021 46 2HD ARG 7 HD1 ARG 7 -25.929 -17.075 5.848 47 HE ARG 7 HE ARG 7 -23.902 -15.989 5.755 48 1HH1 ARG 7 HH11 ARG 7 -26.209 -14.322 3.731 49 2HH1 ARG 7 HH12 ARG 7 -25.185 -12.949 3.479 50 1HH2 ARG 7 HH21 ARG 7 -22.556 -14.180 5.424 51 2HH2 ARG 7 HH22 ARG 7 -23.112 -12.869 4.440 52 H ASN 8 HN ASN 8 -26.930 -16.555 0.785 53 HA ASN 8 HA ASN 8 -29.137 -17.292 -0.968 54 1HB ASN 8 HB2 ASN 8 -26.371 -16.231 -1.583 55 2HB ASN 8 HB1 ASN 8 -27.612 -16.556 -2.789 56 1HD2 ASN 8 HD21 ASN 8 -26.792 -14.594 0.002 57 2HD2 ASN 8 HD22 ASN 8 -27.850 -13.281 -0.375 58 H ALA 9 HN ALA 9 -29.104 -19.002 -2.402 59 HA ALA 9 HA ALA 9 -27.466 -21.242 -1.604 60 1HB ALA 9 HB1 ALA 9 -29.973 -21.252 -2.266 61 2HB ALA 9 HB2 ALA 9 -28.940 -22.587 -2.777 62 3HB ALA 9 HB3 ALA 9 -29.358 -21.309 -3.919 63 H ASN 10 HN ASN 10 -27.614 -18.960 -4.237 64 HA ASN 10 HA ASN 10 -25.553 -20.453 -5.699 65 1HB ASN 10 HB2 ASN 10 -26.046 -18.769 -7.526 66 2HB ASN 10 HB1 ASN 10 -27.369 -19.860 -7.124 67 1HD2 ASN 10 HD21 ASN 10 -29.212 -19.054 -6.191 68 2HD2 ASN 10 HD22 ASN 10 -29.532 -17.363 -6.044 69 H ASP 11 HN ASP 11 -23.519 -19.910 -5.322 70 HA ASP 11 HA ASP 11 -22.883 -17.304 -4.190 71 1HB ASP 11 HB2 ASP 11 -20.596 -18.270 -3.927 72 2HB ASP 11 HB1 ASP 11 -21.851 -19.208 -3.122 73 H ASN 12 HN ASN 12 -22.474 -15.664 -5.510 74 HA ASN 12 HA ASN 12 -21.607 -16.142 -8.239 75 1HB ASN 12 HB2 ASN 12 -21.961 -13.737 -8.556 76 2HB ASN 12 HB1 ASN 12 -23.370 -14.488 -7.815 77 1HD2 ASN 12 HD21 ASN 12 -23.766 -14.138 -5.595 78 2HD2 ASN 12 HD22 ASN 12 -23.111 -12.760 -4.783 79 H ASN 13 HN ASN 13 -19.614 -15.811 -9.027 80 HA ASN 13 HA ASN 13 -17.579 -14.783 -7.164 81 1HB ASN 13 HB2 ASN 13 -17.605 -17.028 -9.083 82 2HB ASN 13 HB1 ASN 13 -16.128 -16.069 -9.072 83 1HD2 ASN 13 HD21 ASN 13 -15.386 -18.278 -8.356 84 2HD2 ASN 13 HD22 ASN 13 -15.348 -18.564 -6.652 85 H GLN 14 HN GLN 14 -17.672 -12.617 -7.683 86 HA GLN 14 HA GLN 14 -17.466 -11.786 -10.455 87 1HB GLN 14 HB2 GLN 14 -18.659 -10.653 -8.289 88 2HB GLN 14 HB1 GLN 14 -17.142 -9.764 -8.329 89 1HG GLN 14 HG2 GLN 14 -18.767 -8.537 -9.561 90 2HG GLN 14 HG1 GLN 14 -17.598 -9.201 -10.701 91 1HE2 GLN 14 HE21 GLN 14 -18.223 -10.845 -12.094 92 2HE2 GLN 14 HE22 GLN 14 -19.883 -11.226 -12.382 93 H PHE 15 HN PHE 15 -15.368 -12.954 -10.656 94 HA PHE 15 HA PHE 15 -13.058 -12.043 -9.303 95 1HB PHE 15 HB2 PHE 15 -13.577 -14.180 -10.859 96 2HB PHE 15 HB1 PHE 15 -12.737 -13.165 -12.026 97 HD1 PHE 15 HD1 PHE 15 -12.130 -13.467 -8.371 98 HD2 PHE 15 HD2 PHE 15 -10.693 -14.234 -12.304 99 HE1 PHE 15 HE1 PHE 15 -9.968 -14.182 -7.438 100 HE2 PHE 15 HE2 PHE 15 -8.530 -14.952 -11.376 101 HZ PHE 15 HZ PHE 15 -8.166 -14.928 -8.940 102 H TYR 16 HN TYR 16 -14.911 -10.617 -11.765 103 HA TYR 16 HA TYR 16 -12.893 -9.266 -13.208 104 1HB TYR 16 HB2 TYR 16 -15.352 -9.567 -13.844 105 2HB TYR 16 HB1 TYR 16 -15.684 -8.216 -12.763 106 HD1 TYR 16 HD1 TYR 16 -13.202 -8.993 -15.457 107 HD2 TYR 16 HD2 TYR 16 -15.961 -6.194 -13.829 108 HE1 TYR 16 HE1 TYR 16 -12.669 -7.423 -17.272 109 HE2 TYR 16 HE2 TYR 16 -15.438 -4.615 -15.640 110 HH TYR 16 HH TYR 16 -14.391 -4.352 -17.619 111 H GLN 17 HN GLN 17 -15.077 -8.064 -10.655 112 HA GLN 17 HA GLN 17 -13.611 -5.632 -10.329 113 1HB GLN 17 HB2 GLN 17 -15.840 -6.951 -8.799 114 2HB GLN 17 HB1 GLN 17 -15.077 -5.478 -8.216 115 1HG GLN 17 HG2 GLN 17 -16.402 -5.783 -10.900 116 2HG GLN 17 HG1 GLN 17 -17.154 -5.070 -9.473 117 1HE2 GLN 17 HE21 GLN 17 -16.598 -3.890 -12.080 118 2HE2 GLN 17 HE22 GLN 17 -15.607 -2.508 -11.779 119 H GLN 18 HN GLN 18 -13.421 -8.807 -8.959 120 HA GLN 18 HA GLN 18 -12.041 -8.099 -6.572 121 1HB GLN 18 HB2 GLN 18 -12.626 -10.618 -8.040 122 2HB GLN 18 HB1 GLN 18 -11.308 -10.643 -6.877 123 1HG GLN 18 HG2 GLN 18 -12.769 -10.021 -5.099 124 2HG GLN 18 HG1 GLN 18 -14.091 -9.712 -6.224 125 1HE2 GLN 18 HE21 GLN 18 -12.668 -11.944 -4.181 126 2HE2 GLN 18 HE22 GLN 18 -13.526 -13.355 -4.691 127 H LYS 19 HN LYS 19 -10.890 -9.608 -9.602 128 HA LYS 19 HA LYS 19 -8.169 -9.485 -8.942 129 1HB LYS 19 HB2 LYS 19 -9.740 -10.274 -11.197 130 2HB LYS 19 HB1 LYS 19 -8.408 -9.275 -11.759 131 1HG LYS 19 HG2 LYS 19 -7.194 -10.968 -9.966 132 2HG LYS 19 HG1 LYS 19 -8.406 -11.995 -10.733 133 1HD LYS 19 HD2 LYS 19 -7.031 -10.343 -12.673 134 2HD LYS 19 HD1 LYS 19 -5.898 -11.321 -11.740 135 1HE LYS 19 HE2 LYS 19 -7.967 -13.067 -12.330 136 2HE LYS 19 HE1 LYS 19 -7.781 -12.113 -13.802 137 1HZ LYS 19 HZ1 LYS 19 -5.867 -13.923 -12.505 138 2HZ LYS 19 HZ2 LYS 19 -5.274 -12.623 -13.408 139 3HZ LYS 19 HZ3 LYS 19 -6.269 -13.777 -14.142 140 H GLN 20 HN GLN 20 -10.340 -7.099 -10.169 141 HA GLN 20 HA GLN 20 -8.394 -5.304 -11.213 142 1HB GLN 20 HB2 GLN 20 -11.288 -5.159 -10.515 143 2HB GLN 20 HB1 GLN 20 -10.408 -3.643 -10.667 144 1HG GLN 20 HG2 GLN 20 -9.615 -4.671 -12.930 145 2HG GLN 20 HG1 GLN 20 -11.048 -5.682 -12.740 146 1HE2 GLN 20 HE21 GLN 20 -13.051 -4.368 -12.095 147 2HE2 GLN 20 HE22 GLN 20 -13.318 -2.919 -12.997 148 H ARG 21 HN ARG 21 -9.844 -5.816 -8.066 149 HA ARG 21 HA ARG 21 -9.096 -3.468 -6.775 150 1HB ARG 21 HB2 ARG 21 -9.810 -6.205 -5.953 151 2HB ARG 21 HB1 ARG 21 -8.913 -5.257 -4.772 152 1HG ARG 21 HG2 ARG 21 -10.589 -3.717 -4.526 153 2HG ARG 21 HG1 ARG 21 -11.240 -4.006 -6.135 154 1HD ARG 21 HD2 ARG 21 -11.791 -6.371 -5.140 155 2HD ARG 21 HD1 ARG 21 -11.685 -5.511 -3.603 156 HE ARG 21 HE ARG 21 -13.381 -4.331 -5.651 157 1HH1 ARG 21 HH11 ARG 21 -13.193 -6.279 -2.756 158 2HH1 ARG 21 HH12 ARG 21 -14.854 -6.033 -2.339 159 1HH2 ARG 21 HH21 ARG 21 -15.560 -4.010 -5.097 160 2HH2 ARG 21 HH22 ARG 21 -16.196 -4.745 -3.664 161 H GLN 22 HN GLN 22 -7.344 -6.588 -6.682 162 HA GLN 22 HA GLN 22 -5.046 -5.502 -5.445 163 1HB GLN 22 HB2 GLN 22 -5.686 -8.058 -6.848 164 2HB GLN 22 HB1 GLN 22 -3.998 -7.666 -6.552 165 1HG GLN 22 HG2 GLN 22 -4.617 -8.961 -4.728 166 2HG GLN 22 HG1 GLN 22 -4.685 -7.307 -4.126 167 1HE2 GLN 22 HE21 GLN 22 -6.330 -7.035 -2.813 168 2HE2 GLN 22 HE22 GLN 22 -7.909 -7.714 -2.996 169 H ALA 23 HN ALA 23 -6.187 -5.388 -8.662 170 HA ALA 23 HA ALA 23 -3.780 -5.274 -10.102 171 1HB ALA 23 HB1 ALA 23 -5.158 -5.058 -11.832 172 2HB ALA 23 HB2 ALA 23 -5.777 -3.523 -11.227 173 3HB ALA 23 HB3 ALA 23 -6.497 -5.040 -10.686 174 H LEU 24 HN LEU 24 -5.855 -2.451 -9.448 175 HA LEU 24 HA LEU 24 -3.771 -0.604 -9.865 176 1HB LEU 24 HB2 LEU 24 -6.548 -0.506 -8.864 177 2HB LEU 24 HB1 LEU 24 -5.527 0.859 -8.471 178 HG LEU 24 HG LEU 24 -6.802 1.312 -10.476 179 1HD1 LEU 24 HD11 LEU 24 -3.915 1.275 -10.388 180 2HD1 LEU 24 HD12 LEU 24 -5.014 2.491 -11.037 181 3HD1 LEU 24 HD13 LEU 24 -4.512 1.136 -12.042 182 1HD2 LEU 24 HD21 LEU 24 -6.452 -0.045 -12.504 183 2HD2 LEU 24 HD22 LEU 24 -7.218 -0.949 -11.199 184 3HD2 LEU 24 HD23 LEU 24 -5.504 -1.185 -11.547 185 H GLY 25 HN GLY 25 -5.050 -2.149 -6.962 186 1HA GLY 25 HA2 GLY 25 -3.772 -0.535 -5.050 187 2HA GLY 25 HA1 GLY 25 -4.232 -2.218 -4.808 188 H GLU 26 HN GLU 26 -2.653 -3.355 -6.862 189 HA GLU 26 HA GLU 26 -0.232 -3.778 -5.542 190 1HB GLU 26 HB2 GLU 26 -1.117 -5.334 -7.223 191 2HB GLU 26 HB1 GLU 26 -0.862 -4.132 -8.482 192 1HG GLU 26 HG2 GLU 26 1.561 -4.209 -8.012 193 2HG GLU 26 HG1 GLU 26 1.262 -5.495 -6.843 194 H GLN 27 HN GLN 27 -1.237 -1.348 -7.845 195 HA GLN 27 HA GLN 27 1.262 -0.401 -8.672 196 1HB GLN 27 HB2 GLN 27 -1.203 1.275 -8.185 197 2HB GLN 27 HB1 GLN 27 0.151 1.675 -9.232 198 1HG GLN 27 HG2 GLN 27 -0.820 -0.827 -10.078 199 2HG GLN 27 HG1 GLN 27 -2.217 0.217 -9.828 200 1HE2 GLN 27 HE21 GLN 27 0.321 -0.596 -11.884 201 2HE2 GLN 27 HE22 GLN 27 0.135 0.685 -13.029 202 H LEU 28 HN LEU 28 -0.610 0.154 -5.770 203 HA LEU 28 HA LEU 28 0.732 2.343 -4.690 204 1HB LEU 28 HB2 LEU 28 -1.332 0.872 -3.863 205 2HB LEU 28 HB1 LEU 28 -0.090 0.132 -2.870 206 HG LEU 28 HG LEU 28 0.462 2.565 -2.147 207 1HD1 LEU 28 HD11 LEU 28 -0.864 3.727 -3.774 208 2HD1 LEU 28 HD12 LEU 28 -1.529 4.021 -2.171 209 3HD1 LEU 28 HD13 LEU 28 -2.315 2.880 -3.255 210 1HD2 LEU 28 HD21 LEU 28 -1.558 0.666 -1.240 211 2HD2 LEU 28 HD22 LEU 28 -1.886 2.323 -0.723 212 3HD2 LEU 28 HD23 LEU 28 -0.347 1.559 -0.320 213 H TYR 29 HN TYR 29 1.459 -1.119 -4.400 214 HA TYR 29 HA TYR 29 3.722 -0.751 -2.714 215 1HB TYR 29 HB2 TYR 29 2.526 -2.871 -2.762 216 2HB TYR 29 HB1 TYR 29 2.951 -3.101 -4.454 217 HD1 TYR 29 HD1 TYR 29 4.870 -2.208 -1.360 218 HD2 TYR 29 HD2 TYR 29 4.503 -4.774 -4.732 219 HE1 TYR 29 HE1 TYR 29 6.922 -3.384 -0.682 220 HE2 TYR 29 HE2 TYR 29 6.552 -5.956 -4.063 221 HH TYR 29 HH TYR 29 7.825 -5.925 -1.166 222 H LYS 30 HN LYS 30 3.466 -1.430 -6.215 223 HA LYS 30 HA LYS 30 6.241 -1.456 -6.685 224 1HB LYS 30 HB2 LYS 30 5.692 -1.271 -9.044 225 2HB LYS 30 HB1 LYS 30 4.599 -2.400 -8.254 226 1HG LYS 30 HG2 LYS 30 2.930 -0.559 -8.100 227 2HG LYS 30 HG1 LYS 30 4.010 0.430 -9.080 228 1HD LYS 30 HD2 LYS 30 3.037 -2.275 -9.977 229 2HD LYS 30 HD1 LYS 30 2.141 -0.791 -10.310 230 1HE LYS 30 HE2 LYS 30 4.578 -0.043 -11.151 231 2HE LYS 30 HE1 LYS 30 4.680 -1.776 -11.457 232 1HZ LYS 30 HZ1 LYS 30 2.563 0.043 -12.474 233 2HZ LYS 30 HZ2 LYS 30 2.647 -1.623 -12.763 234 3HZ LYS 30 HZ3 LYS 30 3.840 -0.595 -13.383 235 H LYS 31 HN LYS 31 3.901 1.158 -6.650 236 HA LYS 31 HA LYS 31 5.472 3.137 -7.868 237 1HB LYS 31 HB2 LYS 31 3.027 3.300 -7.414 238 2HB LYS 31 HB1 LYS 31 3.392 3.523 -5.708 239 1HG LYS 31 HG2 LYS 31 3.082 5.681 -6.439 240 2HG LYS 31 HG1 LYS 31 4.836 5.505 -6.530 241 1HD LYS 31 HD2 LYS 31 4.751 6.055 -8.684 242 2HD LYS 31 HD1 LYS 31 3.790 4.609 -8.995 243 1HE LYS 31 HE2 LYS 31 2.394 6.249 -9.796 244 2HE LYS 31 HE1 LYS 31 1.818 6.091 -8.137 245 1HZ LYS 31 HZ1 LYS 31 3.848 7.958 -8.056 246 2HZ LYS 31 HZ2 LYS 31 2.188 8.252 -7.919 247 3HZ LYS 31 HZ3 LYS 31 2.940 8.349 -9.429 248 H VAL 32 HN VAL 32 5.270 2.027 -4.544 249 HA VAL 32 HA VAL 32 7.092 4.055 -3.567 250 HB VAL 32 HB VAL 32 6.980 2.834 -1.430 251 1HG1 VAL 32 HG11 VAL 32 5.338 4.362 -1.300 252 2HG1 VAL 32 HG12 VAL 32 4.277 2.959 -1.418 253 3HG1 VAL 32 HG13 VAL 32 4.653 3.904 -2.859 254 1HG2 VAL 32 HG21 VAL 32 4.972 1.002 -2.713 255 2HG2 VAL 32 HG22 VAL 32 5.655 0.912 -1.092 256 3HG2 VAL 32 HG23 VAL 32 6.663 0.564 -2.487 257 H SER 33 HN SER 33 7.217 0.583 -4.297 258 HA SER 33 HA SER 33 9.965 0.341 -3.532 259 1HB SER 33 HB2 SER 33 7.895 -1.435 -3.934 260 2HB SER 33 HB1 SER 33 8.933 -1.719 -5.332 261 HG SER 33 HG SER 33 9.397 -2.933 -3.320 262 H ALA 34 HN ALA 34 8.848 2.153 -5.858 263 HA ALA 34 HA ALA 34 10.053 1.241 -8.229 264 1HB ALA 34 HB1 ALA 34 10.002 4.054 -8.294 265 2HB ALA 34 HB2 ALA 34 8.600 3.543 -7.354 266 3HB ALA 34 HB3 ALA 34 8.834 2.929 -8.989 267 H LYS 35 HN LYS 35 11.499 2.262 -5.368 268 HA LYS 35 HA LYS 35 13.875 3.273 -6.767 269 1HB LYS 35 HB2 LYS 35 14.613 4.126 -4.606 270 2HB LYS 35 HB1 LYS 35 12.991 4.699 -4.975 271 1HG LYS 35 HG2 LYS 35 12.013 3.178 -3.442 272 2HG LYS 35 HG1 LYS 35 13.542 2.321 -3.225 273 1HD LYS 35 HD2 LYS 35 13.691 5.187 -2.644 274 2HD LYS 35 HD1 LYS 35 12.590 4.301 -1.590 275 1HE LYS 35 HE2 LYS 35 14.513 3.987 -0.418 276 2HE LYS 35 HE1 LYS 35 14.640 2.612 -1.513 277 1HZ LYS 35 HZ1 LYS 35 16.168 5.102 -1.471 278 2HZ LYS 35 HZ2 LYS 35 15.849 4.412 -2.983 279 3HZ LYS 35 HZ3 LYS 35 16.681 3.524 -1.808 280 H THR 36 HN THR 36 12.690 0.423 -5.444 281 HA THR 36 HA THR 36 14.971 -1.065 -5.925 282 HB THR 36 HB THR 36 16.094 0.024 -4.109 283 HG1 THR 36 HG1 THR 36 16.533 -1.753 -2.813 284 1HG2 THR 36 HG21 THR 36 13.518 -0.178 -2.763 285 2HG2 THR 36 HG22 THR 36 14.854 0.948 -2.511 286 3HG2 THR 36 HG23 THR 36 14.890 -0.646 -1.758 287 H SER 37 HN SER 37 14.861 -3.300 -4.925 288 HA SER 37 HA SER 37 12.044 -4.087 -4.798 289 1HB SER 37 HB2 SER 37 14.284 -6.062 -4.999 290 2HB SER 37 HB1 SER 37 12.655 -6.150 -5.664 291 HG SER 37 HG SER 37 13.407 -4.301 -7.025 292 H ASN 38 HN ASN 38 13.201 -2.898 -2.514 293 HA ASN 38 HA ASN 38 13.866 -4.979 -0.623 294 1HB ASN 38 HB2 ASN 38 14.065 -2.134 -0.690 295 2HB ASN 38 HB1 ASN 38 13.113 -2.582 0.719 296 1HD2 ASN 38 HD21 ASN 38 15.287 -1.428 1.394 297 2HD2 ASN 38 HD22 ASN 38 16.517 -2.524 1.911 298 H GLU 39 HN GLU 39 12.230 -6.383 -0.232 299 HA GLU 39 HA GLU 39 9.506 -5.770 -0.277 300 1HB GLU 39 HB2 GLU 39 10.736 -8.070 -0.269 301 2HB GLU 39 HB1 GLU 39 10.571 -7.952 1.479 302 1HG GLU 39 HG2 GLU 39 8.045 -7.352 0.577 303 2HG GLU 39 HG1 GLU 39 8.590 -8.598 -0.548 304 H GLU 40 HN GLU 40 11.869 -5.363 2.239 305 HA GLU 40 HA GLU 40 9.877 -4.987 4.304 306 1HB GLU 40 HB2 GLU 40 12.621 -5.585 4.274 307 2HB GLU 40 HB1 GLU 40 12.496 -3.993 5.012 308 1HG GLU 40 HG2 GLU 40 10.544 -5.206 6.348 309 2HG GLU 40 HG1 GLU 40 11.534 -6.617 5.980 310 H ALA 41 HN ALA 41 11.510 -3.073 1.966 311 HA ALA 41 HA ALA 41 11.195 -0.553 3.320 312 1HB ALA 41 HB1 ALA 41 11.865 -1.198 0.460 313 2HB ALA 41 HB2 ALA 41 13.014 -0.869 1.760 314 3HB ALA 41 HB3 ALA 41 11.937 0.397 1.190 315 H ALA 42 HN ALA 42 9.946 -1.595 0.183 316 HA ALA 42 HA ALA 42 7.930 0.329 0.044 317 1HB ALA 42 HB1 ALA 42 6.976 -1.271 -1.721 318 2HB ALA 42 HB2 ALA 42 8.407 -2.248 -1.404 319 3HB ALA 42 HB3 ALA 42 8.580 -0.594 -1.988 320 H GLY 43 HN GLY 43 7.908 -2.963 1.322 321 1HA GLY 43 HA2 GLY 43 5.091 -3.148 1.628 322 2HA GLY 43 HA1 GLY 43 6.288 -4.127 2.465 323 H LYS 44 HN LYS 44 7.632 -1.707 3.533 324 HA LYS 44 HA LYS 44 6.100 -1.506 5.945 325 1HB LYS 44 HB2 LYS 44 8.768 -0.991 5.173 326 2HB LYS 44 HB1 LYS 44 8.130 0.526 5.781 327 1HG LYS 44 HG2 LYS 44 9.038 -0.489 7.661 328 2HG LYS 44 HG1 LYS 44 7.314 -0.834 7.793 329 1HD LYS 44 HD2 LYS 44 9.244 -2.756 6.521 330 2HD LYS 44 HD1 LYS 44 8.926 -2.755 8.253 331 1HE LYS 44 HE2 LYS 44 6.480 -2.984 7.682 332 2HE LYS 44 HE1 LYS 44 6.980 -3.271 6.017 333 1HZ LYS 44 HZ1 LYS 44 6.711 -5.168 7.934 334 2HZ LYS 44 HZ2 LYS 44 8.382 -4.906 7.916 335 3HZ LYS 44 HZ3 LYS 44 7.582 -5.348 6.493 336 H ILE 45 HN ILE 45 7.153 0.963 3.597 337 HA ILE 45 HA ILE 45 5.484 2.957 4.692 338 HB ILE 45 HB ILE 45 6.026 4.292 2.765 339 1HG1 ILE 45 HG12 ILE 45 7.306 1.809 1.627 340 2HG1 ILE 45 HG11 ILE 45 5.860 2.608 1.005 341 1HG2 ILE 45 HG21 ILE 45 7.661 4.085 4.565 342 2HG2 ILE 45 HG22 ILE 45 8.453 4.324 3.008 343 3HG2 ILE 45 HG23 ILE 45 8.402 2.718 3.734 344 1HD1 ILE 45 HD11 ILE 45 7.039 4.193 -0.045 345 2HD1 ILE 45 HD12 ILE 45 8.369 3.041 0.095 346 3HD1 ILE 45 HD13 ILE 45 8.199 4.344 1.272 347 H THR 46 HN THR 46 5.016 0.604 2.132 348 HA THR 46 HA THR 46 2.673 1.689 1.012 349 HB THR 46 HB THR 46 3.662 -1.159 1.222 350 HG1 THR 46 HG1 THR 46 3.432 0.577 -1.004 351 1HG2 THR 46 HG21 THR 46 1.539 -1.777 0.809 352 2HG2 THR 46 HG22 THR 46 1.959 -1.302 -0.837 353 3HG2 THR 46 HG23 THR 46 1.076 -0.186 0.206 354 H GLY 47 HN GLY 47 3.265 -0.263 3.866 355 1HA GLY 47 HA2 GLY 47 0.617 -1.008 4.434 356 2HA GLY 47 HA1 GLY 47 1.910 -0.860 5.615 357 H MET 48 HN MET 48 2.396 1.954 5.050 358 HA MET 48 HA MET 48 0.469 3.065 6.837 359 1HB MET 48 HB2 MET 48 2.663 4.337 5.192 360 2HB MET 48 HB1 MET 48 1.658 5.229 6.325 361 1HG MET 48 HG2 MET 48 2.463 3.844 8.156 362 2HG MET 48 HG1 MET 48 3.443 2.909 7.029 363 1HE MET 48 HE1 MET 48 6.533 4.051 7.632 364 2HE MET 48 HE2 MET 48 6.170 4.513 5.969 365 3HE MET 48 HE3 MET 48 5.432 3.070 6.665 366 H ILE 49 HN ILE 49 1.167 3.438 3.378 367 HA ILE 49 HA ILE 49 -1.067 5.171 2.893 368 HB ILE 49 HB ILE 49 0.405 3.520 0.841 369 1HG1 ILE 49 HG12 ILE 49 1.145 6.349 1.521 370 2HG1 ILE 49 HG11 ILE 49 1.843 5.010 2.427 371 1HG2 ILE 49 HG21 ILE 49 -0.202 5.447 -0.629 372 2HG2 ILE 49 HG22 ILE 49 -1.192 6.069 0.693 373 3HG2 ILE 49 HG23 ILE 49 -1.575 4.512 -0.039 374 1HD1 ILE 49 HD11 ILE 49 2.491 4.068 0.129 375 2HD1 ILE 49 HD12 ILE 49 3.404 5.433 0.770 376 3HD1 ILE 49 HD13 ILE 49 2.172 5.699 -0.461 377 H LEU 50 HN LEU 50 -0.841 1.972 3.639 378 HA LEU 50 HA LEU 50 -2.803 0.863 1.868 379 1HB LEU 50 HB2 LEU 50 -0.933 -0.145 3.660 380 2HB LEU 50 HB1 LEU 50 -2.474 -0.551 4.387 381 HG LEU 50 HG LEU 50 -1.783 -2.408 3.061 382 1HD1 LEU 50 HD11 LEU 50 -3.575 -1.945 1.036 383 2HD1 LEU 50 HD12 LEU 50 -4.115 -0.843 2.300 384 3HD1 LEU 50 HD13 LEU 50 -3.965 -2.564 2.639 385 1HD2 LEU 50 HD21 LEU 50 -0.522 -2.204 1.246 386 2HD2 LEU 50 HD22 LEU 50 -0.623 -0.453 1.404 387 3HD2 LEU 50 HD23 LEU 50 -1.799 -1.317 0.417 388 H ASP 51 HN ASP 51 -3.329 3.254 3.813 389 HA ASP 51 HA ASP 51 -5.509 2.263 5.411 390 1HB ASP 51 HB2 ASP 51 -4.052 4.814 5.109 391 2HB ASP 51 HB1 ASP 51 -5.757 4.968 5.522 392 H LEU 52 HN LEU 52 -5.068 3.446 2.213 393 HA LEU 52 HA LEU 52 -7.805 4.352 1.909 394 1HB LEU 52 HB2 LEU 52 -5.472 4.051 0.038 395 2HB LEU 52 HB1 LEU 52 -7.078 4.408 -0.563 396 HG LEU 52 HG LEU 52 -7.121 6.496 0.694 397 1HD1 LEU 52 HD11 LEU 52 -5.856 5.972 2.635 398 2HD1 LEU 52 HD12 LEU 52 -4.996 7.258 1.791 399 3HD1 LEU 52 HD13 LEU 52 -4.424 5.594 1.677 400 1HD2 LEU 52 HD21 LEU 52 -5.126 7.599 -0.447 401 2HD2 LEU 52 HD22 LEU 52 -6.281 6.760 -1.480 402 3HD2 LEU 52 HD23 LEU 52 -4.747 5.994 -1.071 403 HA PRO 53 HA PRO 53 -9.563 0.300 1.293 404 1HB PRO 53 HB2 PRO 53 -11.308 1.783 -0.614 405 2HB PRO 53 HB1 PRO 53 -11.748 0.682 0.693 406 1HG PRO 53 HG2 PRO 53 -12.009 3.342 0.945 407 2HG PRO 53 HG1 PRO 53 -11.567 2.305 2.313 408 1HD PRO 53 HD2 PRO 53 -9.896 4.194 0.757 409 2HD PRO 53 HD1 PRO 53 -9.723 3.649 2.436 410 HA PRO 54 HA PRO 54 -8.043 -1.537 -2.403 411 1HB PRO 54 HB2 PRO 54 -10.814 -2.276 -3.198 412 2HB PRO 54 HB1 PRO 54 -9.379 -3.295 -3.035 413 1HG PRO 54 HG2 PRO 54 -11.282 -3.360 -1.186 414 2HG PRO 54 HG1 PRO 54 -9.571 -3.416 -0.721 415 1HD PRO 54 HD2 PRO 54 -11.501 -1.134 -0.586 416 2HD PRO 54 HD1 PRO 54 -10.222 -1.598 0.554 417 H GLN 55 HN GLN 55 -11.256 -0.357 -3.427 418 HA GLN 55 HA GLN 55 -10.196 0.554 -5.932 419 1HB GLN 55 HB2 GLN 55 -12.489 1.373 -6.371 420 2HB GLN 55 HB1 GLN 55 -12.434 -0.320 -5.905 421 1HG GLN 55 HG2 GLN 55 -13.963 0.104 -4.372 422 2HG GLN 55 HG1 GLN 55 -12.789 1.106 -3.526 423 1HE2 GLN 55 HE21 GLN 55 -13.067 3.270 -3.483 424 2HE2 GLN 55 HE22 GLN 55 -14.366 4.103 -4.258 425 H GLU 56 HN GLU 56 -11.201 2.113 -2.931 426 HA GLU 56 HA GLU 56 -11.139 4.768 -3.845 427 1HB GLU 56 HB2 GLU 56 -11.554 3.431 -1.387 428 2HB GLU 56 HB1 GLU 56 -10.311 4.640 -1.106 429 1HG GLU 56 HG2 GLU 56 -11.822 6.334 -2.120 430 2HG GLU 56 HG1 GLU 56 -13.076 5.095 -2.192 431 H VAL 57 HN VAL 57 -8.579 2.574 -3.232 432 HA VAL 57 HA VAL 57 -6.610 4.643 -2.747 433 HB VAL 57 HB VAL 57 -6.478 2.404 -1.659 434 1HG1 VAL 57 HG11 VAL 57 -6.649 1.493 -4.355 435 2HG1 VAL 57 HG12 VAL 57 -6.672 0.559 -2.863 436 3HG1 VAL 57 HG13 VAL 57 -5.138 0.929 -3.647 437 1HG2 VAL 57 HG21 VAL 57 -4.438 3.276 -1.377 438 2HG2 VAL 57 HG22 VAL 57 -4.321 3.792 -3.060 439 3HG2 VAL 57 HG23 VAL 57 -3.946 2.126 -2.619 440 H PHE 58 HN PHE 58 -7.854 2.839 -5.428 441 HA PHE 58 HA PHE 58 -5.846 2.820 -7.275 442 1HB PHE 58 HB2 PHE 58 -8.767 3.437 -7.715 443 2HB PHE 58 HB1 PHE 58 -7.627 3.187 -9.026 444 HD1 PHE 58 HD1 PHE 58 -9.393 1.463 -9.625 445 HD2 PHE 58 HD2 PHE 58 -6.863 1.137 -6.224 446 HE1 PHE 58 HE1 PHE 58 -9.829 -0.951 -9.541 447 HE2 PHE 58 HE2 PHE 58 -7.301 -1.283 -6.128 448 HZ PHE 58 HZ PHE 58 -8.782 -2.322 -7.801 449 HA PRO 59 HA PRO 59 -7.028 7.431 -8.624 450 1HB PRO 59 HB2 PRO 59 -7.825 8.374 -5.916 451 2HB PRO 59 HB1 PRO 59 -8.453 8.840 -7.502 452 1HG PRO 59 HG2 PRO 59 -9.852 7.230 -5.915 453 2HG PRO 59 HG1 PRO 59 -9.801 6.956 -7.666 454 1HD PRO 59 HD2 PRO 59 -8.380 5.506 -5.475 455 2HD PRO 59 HD1 PRO 59 -9.083 4.878 -6.978 456 H LEU 60 HN LEU 60 -5.799 6.613 -5.421 457 HA LEU 60 HA LEU 60 -3.891 8.769 -5.405 458 1HB LEU 60 HB2 LEU 60 -4.691 8.163 -3.284 459 2HB LEU 60 HB1 LEU 60 -4.488 6.452 -3.599 460 HG LEU 60 HG LEU 60 -1.903 7.551 -3.744 461 1HD1 LEU 60 HD11 LEU 60 -3.584 9.072 -1.951 462 2HD1 LEU 60 HD12 LEU 60 -1.927 9.361 -2.476 463 3HD1 LEU 60 HD13 LEU 60 -2.243 8.296 -1.110 464 1HD2 LEU 60 HD21 LEU 60 -3.033 5.359 -2.734 465 2HD2 LEU 60 HD22 LEU 60 -2.795 6.269 -1.242 466 3HD2 LEU 60 HD23 LEU 60 -1.419 5.904 -2.279 467 H LEU 61 HN LEU 61 -3.683 5.229 -5.641 468 HA LEU 61 HA LEU 61 -0.903 5.112 -5.950 469 1HB LEU 61 HB2 LEU 61 -1.395 2.845 -6.998 470 2HB LEU 61 HB1 LEU 61 -1.947 3.109 -5.354 471 HG LEU 61 HG LEU 61 -4.177 3.819 -6.635 472 1HD1 LEU 61 HD11 LEU 61 -2.588 2.729 -8.706 473 2HD1 LEU 61 HD12 LEU 61 -4.262 3.282 -8.771 474 3HD1 LEU 61 HD13 LEU 61 -3.904 1.607 -8.375 475 1HD2 LEU 61 HD21 LEU 61 -4.674 1.214 -6.511 476 2HD2 LEU 61 HD22 LEU 61 -4.514 2.217 -5.068 477 3HD2 LEU 61 HD23 LEU 61 -3.156 1.238 -5.615 478 H GLU 62 HN GLU 62 -3.313 6.105 -8.182 479 HA GLU 62 HA GLU 62 -1.500 5.653 -10.449 480 1HB GLU 62 HB2 GLU 62 -4.395 5.665 -10.138 481 2HB GLU 62 HB1 GLU 62 -3.867 6.683 -11.471 482 1HG GLU 62 HG2 GLU 62 -2.475 4.163 -11.486 483 2HG GLU 62 HG1 GLU 62 -4.219 3.928 -11.480 484 H SER 63 HN SER 63 -2.723 8.089 -8.380 485 HA SER 63 HA SER 63 -2.081 10.234 -10.254 486 1HB SER 63 HB2 SER 63 -4.146 10.354 -8.844 487 2HB SER 63 HB1 SER 63 -3.116 10.442 -7.418 488 HG SER 63 HG SER 63 -2.134 12.304 -8.723 489 H ASP 64 HN ASP 64 -0.034 10.837 -10.388 490 HA ASP 64 HA ASP 64 2.022 10.141 -8.659 491 1HB ASP 64 HB2 ASP 64 1.747 12.323 -10.710 492 2HB ASP 64 HB1 ASP 64 3.223 12.144 -9.766 493 H GLU 65 HN GLU 65 0.466 13.340 -8.942 494 HA GLU 65 HA GLU 65 1.801 14.514 -6.776 495 1HB GLU 65 HB2 GLU 65 -0.255 16.073 -6.745 496 2HB GLU 65 HB1 GLU 65 0.745 16.038 -8.189 497 1HG GLU 65 HG2 GLU 65 -1.004 15.512 -9.424 498 2HG GLU 65 HG1 GLU 65 -1.291 14.070 -8.452 499 H LEU 66 HN LEU 66 -1.373 12.913 -6.901 500 HA LEU 66 HA LEU 66 -2.062 13.292 -4.209 501 1HB LEU 66 HB2 LEU 66 -3.294 12.235 -6.379 502 2HB LEU 66 HB1 LEU 66 -2.918 10.774 -5.492 503 HG LEU 66 HG LEU 66 -5.193 11.617 -5.043 504 1HD1 LEU 66 HD11 LEU 66 -5.145 11.252 -2.713 505 2HD1 LEU 66 HD12 LEU 66 -3.488 11.839 -2.580 506 3HD1 LEU 66 HD13 LEU 66 -3.818 10.310 -3.391 507 1HD2 LEU 66 HD21 LEU 66 -5.434 13.633 -3.619 508 2HD2 LEU 66 HD22 LEU 66 -4.851 13.989 -5.244 509 3HD2 LEU 66 HD23 LEU 66 -3.728 13.984 -3.884 510 H PHE 67 HN PHE 67 -0.030 10.924 -5.784 511 HA PHE 67 HA PHE 67 0.134 9.109 -3.593 512 1HB PHE 67 HB2 PHE 67 0.771 8.763 -6.110 513 2HB PHE 67 HB1 PHE 67 2.342 9.376 -5.604 514 HD1 PHE 67 HD1 PHE 67 3.848 8.013 -4.318 515 HD2 PHE 67 HD2 PHE 67 -0.117 6.692 -5.140 516 HE1 PHE 67 HE1 PHE 67 4.435 5.768 -3.527 517 HE2 PHE 67 HE2 PHE 67 0.477 4.442 -4.356 518 HZ PHE 67 HZ PHE 67 2.743 3.977 -3.542 519 H GLU 68 HN GLU 68 2.437 11.527 -4.839 520 HA GLU 68 HA GLU 68 4.485 11.306 -3.086 521 1HB GLU 68 HB2 GLU 68 3.332 13.525 -4.628 522 2HB GLU 68 HB1 GLU 68 4.325 14.024 -3.266 523 1HG GLU 68 HG2 GLU 68 6.215 13.440 -4.289 524 2HG GLU 68 HG1 GLU 68 5.543 11.906 -4.845 525 H GLN 69 HN GLN 69 1.502 13.151 -2.458 526 HA GLN 69 HA GLN 69 2.214 14.178 0.039 527 1HB GLN 69 HB2 GLN 69 0.020 14.356 -1.578 528 2HB GLN 69 HB1 GLN 69 -0.611 13.413 -0.235 529 1HG GLN 69 HG2 GLN 69 -0.433 15.126 1.238 530 2HG GLN 69 HG1 GLN 69 0.960 15.832 0.425 531 1HE2 GLN 69 HE21 GLN 69 -2.249 14.966 -0.780 532 2HE2 GLN 69 HE22 GLN 69 -2.664 16.549 -1.327 533 H HIS 70 HN HIS 70 0.133 11.366 -0.581 534 HA HIS 70 HA HIS 70 0.094 10.477 2.092 535 1HB HIS 70 HB2 HIS 70 -0.736 9.404 -0.518 536 2HB HIS 70 HB1 HIS 70 -0.316 8.174 0.669 537 HD2 HIS 70 HD2 HIS 70 -3.221 10.489 -0.214 538 HE1 HIS 70 HE1 HIS 70 -4.078 8.845 3.608 539 HE2 HIS 70 HE2 HIS 70 -4.978 10.175 1.663 540 H TYR 71 HN TYR 71 1.974 9.315 -0.692 541 HA TYR 71 HA TYR 71 3.525 7.453 0.725 542 1HB TYR 71 HB2 TYR 71 3.574 7.111 -1.556 543 2HB TYR 71 HB1 TYR 71 3.713 8.822 -1.921 544 HD1 TYR 71 HD1 TYR 71 5.719 9.602 -2.720 545 HD2 TYR 71 HD2 TYR 71 5.704 6.070 -0.349 546 HE1 TYR 71 HE1 TYR 71 8.123 9.322 -3.135 547 HE2 TYR 71 HE2 TYR 71 8.112 5.781 -0.755 548 HH TYR 71 HH TYR 71 10.051 7.156 -1.377 549 H LYS 72 HN LYS 72 3.590 10.857 0.806 550 HA LYS 72 HA LYS 72 6.353 11.306 1.244 551 1HB LYS 72 HB2 LYS 72 4.015 12.889 1.119 552 2HB LYS 72 HB1 LYS 72 4.725 13.190 2.696 553 1HG LYS 72 HG2 LYS 72 6.887 13.667 1.553 554 2HG LYS 72 HG1 LYS 72 6.029 13.552 0.015 555 1HD LYS 72 HD2 LYS 72 4.475 15.332 0.849 556 2HD LYS 72 HD1 LYS 72 5.542 15.522 2.244 557 1HE LYS 72 HE2 LYS 72 7.364 16.188 0.839 558 2HE LYS 72 HE1 LYS 72 6.451 15.793 -0.616 559 1HZ LYS 72 HZ1 LYS 72 5.302 17.708 -0.525 560 2HZ LYS 72 HZ2 LYS 72 6.621 18.246 0.389 561 3HZ LYS 72 HZ3 LYS 72 5.214 17.721 1.166 562 H GLU 73 HN GLU 73 3.642 11.244 3.560 563 HA GLU 73 HA GLU 73 5.109 11.346 5.902 564 1HB GLU 73 HB2 GLU 73 2.430 10.939 5.219 565 2HB GLU 73 HB1 GLU 73 2.865 9.506 6.141 566 1HG GLU 73 HG2 GLU 73 2.747 10.627 8.041 567 2HG GLU 73 HG1 GLU 73 3.887 11.835 7.451 568 H ALA 74 HN ALA 74 4.412 8.631 3.800 569 HA ALA 74 HA ALA 74 5.513 6.649 5.547 570 1HB ALA 74 HB1 ALA 74 3.903 6.652 3.291 571 2HB ALA 74 HB2 ALA 74 4.539 5.235 4.128 572 3HB ALA 74 HB3 ALA 74 5.408 5.912 2.748 573 H SER 75 HN SER 75 6.681 8.692 2.964 574 HA SER 75 HA SER 75 9.067 7.332 2.373 575 1HB SER 75 HB2 SER 75 8.603 8.963 0.806 576 2HB SER 75 HB1 SER 75 8.106 10.140 2.024 577 HG SER 75 HG SER 75 10.409 10.034 0.833 578 H ALA 76 HN ALA 76 8.491 10.082 4.578 579 HA ALA 76 HA ALA 76 11.025 10.343 5.636 580 1HB ALA 76 HB1 ALA 76 8.568 10.543 7.356 581 2HB ALA 76 HB2 ALA 76 8.941 11.735 6.112 582 3HB ALA 76 HB3 ALA 76 10.059 11.479 7.451 583 H ALA 77 HN ALA 77 8.522 8.019 6.438 584 HA ALA 77 HA ALA 77 9.998 6.800 8.597 585 1HB ALA 77 HB1 ALA 77 8.223 5.133 8.609 586 2HB ALA 77 HB2 ALA 77 7.591 5.780 7.097 587 3HB ALA 77 HB3 ALA 77 7.546 6.761 8.560 588 H TYR 78 HN TYR 78 9.844 6.534 5.207 589 HA TYR 78 HA TYR 78 10.649 3.902 4.717 590 1HB TYR 78 HB2 TYR 78 9.938 5.777 3.069 591 2HB TYR 78 HB1 TYR 78 11.628 6.252 3.101 592 HD1 TYR 78 HD1 TYR 78 9.788 5.191 0.798 593 HD2 TYR 78 HD2 TYR 78 12.773 3.404 3.242 594 HE1 TYR 78 HE1 TYR 78 10.247 3.559 -0.982 595 HE2 TYR 78 HE2 TYR 78 13.250 1.774 1.488 596 HH TYR 78 HH TYR 78 12.835 1.143 -0.623 597 H GLU 79 HN GLU 79 12.600 6.848 4.981 598 HA GLU 79 HA GLU 79 15.121 5.666 4.825 599 1HB GLU 79 HB2 GLU 79 14.367 8.154 6.359 600 2HB GLU 79 HB1 GLU 79 15.972 7.736 5.773 601 1HG GLU 79 HG2 GLU 79 14.032 7.717 3.634 602 2HG GLU 79 HG1 GLU 79 14.057 9.268 4.474 603 H SER 80 HN SER 80 13.051 6.279 7.603 604 HA SER 80 HA SER 80 14.841 5.668 9.629 605 1HB SER 80 HB2 SER 80 12.135 6.329 9.462 606 2HB SER 80 HB1 SER 80 12.161 4.756 10.261 607 HG SER 80 HG SER 80 13.189 7.210 11.104 608 H PHE 81 HN PHE 81 12.699 3.556 7.770 609 HA PHE 81 HA PHE 81 13.347 1.204 9.219 610 1HB PHE 81 HB2 PHE 81 11.897 1.791 6.672 611 2HB PHE 81 HB1 PHE 81 12.373 0.132 7.024 612 HD1 PHE 81 HD1 PHE 81 9.878 2.569 7.457 613 HD2 PHE 81 HD2 PHE 81 11.722 -0.740 9.398 614 HE1 PHE 81 HE1 PHE 81 7.897 2.313 8.894 615 HE2 PHE 81 HE2 PHE 81 9.744 -1.005 10.836 616 HZ PHE 81 HZ PHE 81 7.828 0.523 10.587 617 H LYS 82 HN LYS 82 14.246 2.259 5.923 618 HA LYS 82 HA LYS 82 16.006 0.171 5.390 619 1HB LYS 82 HB2 LYS 82 16.996 1.666 3.676 620 2HB LYS 82 HB1 LYS 82 15.241 1.596 3.612 621 1HG LYS 82 HG2 LYS 82 15.146 3.728 4.843 622 2HG LYS 82 HG1 LYS 82 16.908 3.807 4.788 623 1HD LYS 82 HD2 LYS 82 15.213 3.562 2.314 624 2HD LYS 82 HD1 LYS 82 15.655 5.119 3.012 625 1HE LYS 82 HE2 LYS 82 17.596 5.033 1.940 626 2HE LYS 82 HE1 LYS 82 18.020 3.583 2.848 627 1HZ LYS 82 HZ1 LYS 82 17.662 3.744 0.150 628 2HZ LYS 82 HZ2 LYS 82 16.229 3.025 0.689 629 3HZ LYS 82 HZ3 LYS 82 17.722 2.320 1.060 630 H LYS 83 HN LYS 83 16.658 3.346 6.831 631 HA LYS 83 HA LYS 83 19.466 2.843 7.123 632 1HB LYS 83 HB2 LYS 83 17.717 4.967 8.375 633 2HB LYS 83 HB1 LYS 83 19.473 4.937 8.433 634 1HG LYS 83 HG2 LYS 83 18.953 4.740 5.745 635 2HG LYS 83 HG1 LYS 83 17.685 5.825 6.318 636 1HD LYS 83 HD2 LYS 83 19.142 7.480 6.815 637 2HD LYS 83 HD1 LYS 83 20.392 6.359 7.358 638 1HE LYS 83 HE2 LYS 83 21.104 5.930 5.148 639 2HE LYS 83 HE1 LYS 83 19.667 6.684 4.460 640 1HZ LYS 83 HZ1 LYS 83 22.134 7.885 5.312 641 2HZ LYS 83 HZ2 LYS 83 20.771 8.681 5.915 642 3HZ LYS 83 HZ3 LYS 83 20.959 8.473 4.247 643 H GLU 84 HN GLU 84 16.792 1.713 8.794 644 HA GLU 84 HA GLU 84 17.820 1.784 11.453 645 1HB GLU 84 HB2 GLU 84 15.396 1.040 10.205 646 2HB GLU 84 HB1 GLU 84 15.972 -0.385 11.059 647 1HG GLU 84 HG2 GLU 84 16.349 1.567 12.920 648 2HG GLU 84 HG1 GLU 84 14.893 2.125 12.096 649 H GLN 85 HN GLN 85 17.573 -0.796 9.008 650 HA GLN 85 HA GLN 85 19.178 -2.577 10.625 651 1HB GLN 85 HB2 GLN 85 17.876 -2.832 7.922 652 2HB GLN 85 HB1 GLN 85 18.935 -4.078 8.572 653 1HG GLN 85 HG2 GLN 85 17.047 -4.936 9.396 654 2HG GLN 85 HG1 GLN 85 17.237 -3.712 10.648 655 1HE2 GLN 85 HE21 GLN 85 15.606 -2.369 10.963 656 2HE2 GLN 85 HE22 GLN 85 14.299 -2.090 9.869 657 H GLU 86 HN GLU 86 20.906 -0.758 10.481 658 HA GLU 86 HA GLU 86 22.475 -0.815 8.044 659 1HB GLU 86 HB2 GLU 86 22.679 0.653 10.653 660 2HB GLU 86 HB1 GLU 86 24.059 0.594 9.566 661 1HG GLU 86 HG2 GLU 86 23.023 1.866 7.958 662 2HG GLU 86 HG1 GLU 86 21.405 1.441 8.512 663 H GLN 87 HN GLN 87 22.306 -2.531 10.988 664 HA GLN 87 HA GLN 87 25.038 -3.557 10.693 665 1HB GLN 87 HB2 GLN 87 24.037 -2.675 12.928 666 2HB GLN 87 HB1 GLN 87 23.207 -4.224 12.975 667 1HG GLN 87 HG2 GLN 87 25.221 -5.422 13.111 668 2HG GLN 87 HG1 GLN 87 26.179 -4.018 12.642 669 1HE2 GLN 87 HE21 GLN 87 24.689 -5.721 15.209 670 2HE2 GLN 87 HE22 GLN 87 25.204 -4.689 16.495 671 H GLN 88 HN GLN 88 21.725 -4.391 10.265 672 HA GLN 88 HA GLN 88 22.206 -7.248 10.251 673 1HB GLN 88 HB2 GLN 88 19.886 -5.490 10.311 674 2HB GLN 88 HB1 GLN 88 19.684 -6.807 9.165 675 1HG GLN 88 HG2 GLN 88 19.034 -8.046 10.881 676 2HG GLN 88 HG1 GLN 88 20.717 -8.046 11.405 677 1HE2 GLN 88 HE21 GLN 88 19.533 -8.381 13.492 678 2HE2 GLN 88 HE22 GLN 88 19.104 -6.969 14.390 679 H THR 89 HN THR 89 23.624 -7.629 8.569 680 HA THR 89 HA THR 89 22.778 -6.810 5.880 681 HB THR 89 HB THR 89 25.388 -8.167 6.419 682 HG1 THR 89 HG1 THR 89 24.944 -5.400 6.837 683 1HG2 THR 89 HG21 THR 89 24.942 -5.783 4.683 684 2HG2 THR 89 HG22 THR 89 24.518 -7.398 4.119 685 3HG2 THR 89 HG23 THR 89 26.181 -7.034 4.577 686 H GLU 90 HN GLU 90 21.484 -8.958 7.372 687 HA GLU 90 HA GLU 90 22.383 -11.447 6.258 688 1HB GLU 90 HB2 GLU 90 20.504 -10.600 8.256 689 2HB GLU 90 HB1 GLU 90 19.703 -11.696 7.140 690 1HG GLU 90 HG2 GLU 90 22.177 -12.868 7.679 691 2HG GLU 90 HG1 GLU 90 21.590 -12.266 9.229 692 H GLN 91 HN GLN 91 20.054 -8.995 5.415 693 HA GLN 91 HA GLN 91 18.796 -10.620 3.380 694 1HB GLN 91 HB2 GLN 91 17.562 -8.509 2.836 695 2HB GLN 91 HB1 GLN 91 17.366 -9.059 4.491 696 1HG GLN 91 HG2 GLN 91 19.384 -7.401 4.903 697 2HG GLN 91 HG1 GLN 91 18.755 -6.661 3.433 698 1HE2 GLN 91 HE21 GLN 91 17.205 -8.199 6.232 699 2HE2 GLN 91 HE22 GLN 91 16.190 -6.857 6.622 700 H ALA 92 HN ALA 92 18.502 -9.401 1.166 701 HA ALA 92 HA ALA 92 21.185 -9.102 0.096 702 1HB ALA 92 HB1 ALA 92 19.769 -10.546 -1.149 703 2HB ALA 92 HB2 ALA 92 19.977 -9.082 -2.110 704 3HB ALA 92 HB3 ALA 92 18.483 -9.340 -1.210 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -22.182 -5.025 20.022 2 2H GLY 1 HT2 GLY 1 -22.400 -3.590 19.155 3 3H GLY 1 HT3 GLY 1 -21.100 -4.607 18.790 4 1HA GLY 1 HA1 GLY 1 -22.529 -6.294 17.943 5 2HA GLY 1 HA2 GLY 1 -23.940 -5.407 18.498 6 HA PRO 2 HA PRO 2 -23.178 -4.336 14.027 7 1HB PRO 2 HB2 PRO 2 -25.681 -4.847 13.149 8 2HB PRO 2 HB1 PRO 2 -24.451 -6.109 13.289 9 1HG PRO 2 HG2 PRO 2 -26.689 -5.429 15.158 10 2HG PRO 2 HG1 PRO 2 -26.132 -7.022 14.614 11 1HD PRO 2 HD2 PRO 2 -25.454 -5.963 17.023 12 2HD PRO 2 HD1 PRO 2 -24.394 -7.067 16.123 13 H LEU 3 HN LEU 3 -24.027 -2.564 12.824 14 HA LEU 3 HA LEU 3 -25.242 -0.528 14.517 15 1HB LEU 3 HB2 LEU 3 -23.174 -0.348 12.841 16 2HB LEU 3 HB1 LEU 3 -24.452 0.028 11.703 17 HG LEU 3 HG LEU 3 -23.419 2.044 12.653 18 1HD1 LEU 3 HD11 LEU 3 -25.915 2.543 13.886 19 2HD1 LEU 3 HD12 LEU 3 -26.197 1.451 12.532 20 3HD1 LEU 3 HD13 LEU 3 -25.380 2.988 12.266 21 1HD2 LEU 3 HD21 LEU 3 -24.536 1.071 15.279 22 2HD2 LEU 3 HD22 LEU 3 -23.768 2.630 14.987 23 3HD2 LEU 3 HD23 LEU 3 -22.828 1.145 14.845 24 H GLY 4 HN GLY 4 -25.651 -1.341 11.065 25 1HA GLY 4 HA2 GLY 4 -28.356 -0.371 11.089 26 2HA GLY 4 HA1 GLY 4 -27.525 -1.112 9.730 27 H SER 5 HN SER 5 -28.433 -2.925 9.060 28 HA SER 5 HA SER 5 -30.101 -4.451 10.912 29 1HB SER 5 HB2 SER 5 -30.873 -5.616 8.816 30 2HB SER 5 HB1 SER 5 -31.199 -3.884 8.850 31 HG SER 5 HG SER 5 -29.951 -3.644 7.180 32 HA PRO 6 HA PRO 6 -27.151 -7.684 11.531 33 1HB PRO 6 HB2 PRO 6 -29.454 -9.546 11.300 34 2HB PRO 6 HB1 PRO 6 -28.291 -9.351 12.615 35 1HG PRO 6 HG2 PRO 6 -30.788 -8.451 12.857 36 2HG PRO 6 HG1 PRO 6 -29.418 -7.544 13.525 37 1HD PRO 6 HD2 PRO 6 -30.998 -7.035 11.037 38 2HD PRO 6 HD1 PRO 6 -30.332 -5.878 12.209 39 H ARG 7 HN ARG 7 -29.342 -7.650 8.843 40 HA ARG 7 HA ARG 7 -27.957 -9.819 7.482 41 1HB ARG 7 HB2 ARG 7 -30.294 -8.099 6.638 42 2HB ARG 7 HB1 ARG 7 -29.636 -9.427 5.692 43 1HG ARG 7 HG2 ARG 7 -30.088 -10.774 7.915 44 2HG ARG 7 HG1 ARG 7 -31.265 -9.485 8.172 45 1HD ARG 7 HD2 ARG 7 -32.484 -11.121 7.057 46 2HD ARG 7 HD1 ARG 7 -32.039 -9.997 5.776 47 HE ARG 7 HE ARG 7 -30.953 -12.680 6.205 48 1HH1 ARG 7 HH11 ARG 7 -31.008 -9.749 4.297 49 2HH1 ARG 7 HH12 ARG 7 -30.230 -10.479 2.935 50 1HH2 ARG 7 HH21 ARG 7 -29.932 -13.632 4.411 51 2HH2 ARG 7 HH22 ARG 7 -29.616 -12.678 3.000 52 H ASN 8 HN ASN 8 -26.232 -9.463 6.260 53 HA ASN 8 HA ASN 8 -25.534 -6.762 5.469 54 1HB ASN 8 HB2 ASN 8 -24.114 -9.412 5.376 55 2HB ASN 8 HB1 ASN 8 -23.487 -8.020 4.499 56 1HD2 ASN 8 HD21 ASN 8 -21.865 -7.167 5.574 57 2HD2 ASN 8 HD22 ASN 8 -21.795 -6.910 7.281 58 H ALA 9 HN ALA 9 -26.511 -5.988 3.706 59 HA ALA 9 HA ALA 9 -27.623 -7.537 1.644 60 1HB ALA 9 HB1 ALA 9 -27.101 -5.040 0.531 61 2HB ALA 9 HB2 ALA 9 -27.313 -4.731 2.255 62 3HB ALA 9 HB3 ALA 9 -28.580 -5.552 1.344 63 H ASN 10 HN ASN 10 -25.915 -9.016 1.110 64 HA ASN 10 HA ASN 10 -23.739 -7.849 -0.487 65 1HB ASN 10 HB2 ASN 10 -23.975 -10.601 0.750 66 2HB ASN 10 HB1 ASN 10 -22.605 -10.027 -0.197 67 1HD2 ASN 10 HD21 ASN 10 -23.068 -10.869 2.691 68 2HD2 ASN 10 HD22 ASN 10 -22.311 -9.616 3.608 69 H ASP 11 HN ASP 11 -25.022 -7.535 -2.351 70 HA ASP 11 HA ASP 11 -26.132 -9.920 -3.622 71 1HB ASP 11 HB2 ASP 11 -26.271 -7.030 -4.503 72 2HB ASP 11 HB1 ASP 11 -27.162 -8.376 -5.206 73 H ASN 12 HN ASN 12 -23.310 -8.021 -3.672 74 HA ASN 12 HA ASN 12 -22.628 -8.835 -6.400 75 1HB ASN 12 HB2 ASN 12 -21.302 -6.910 -4.484 76 2HB ASN 12 HB1 ASN 12 -20.644 -7.330 -6.063 77 1HD2 ASN 12 HD21 ASN 12 -23.414 -5.917 -4.427 78 2HD2 ASN 12 HD22 ASN 12 -23.912 -4.913 -5.742 79 H ASN 13 HN ASN 13 -20.055 -9.218 -6.489 80 HA ASN 13 HA ASN 13 -19.347 -11.144 -4.387 81 1HB ASN 13 HB2 ASN 13 -19.059 -11.623 -7.361 82 2HB ASN 13 HB1 ASN 13 -18.508 -12.707 -6.087 83 1HD2 ASN 13 HD21 ASN 13 -20.108 -13.662 -4.707 84 2HD2 ASN 13 HD22 ASN 13 -21.703 -13.946 -5.309 85 H GLN 14 HN GLN 14 -17.405 -10.749 -3.566 86 HA GLN 14 HA GLN 14 -15.673 -8.807 -4.804 87 1HB GLN 14 HB2 GLN 14 -14.260 -9.157 -2.787 88 2HB GLN 14 HB1 GLN 14 -15.921 -8.719 -2.413 89 1HG GLN 14 HG2 GLN 14 -16.406 -10.756 -1.518 90 2HG GLN 14 HG1 GLN 14 -15.234 -11.603 -2.526 91 1HE2 GLN 14 HE21 GLN 14 -15.642 -9.580 0.305 92 2HE2 GLN 14 HE22 GLN 14 -14.148 -10.007 1.062 93 H PHE 15 HN PHE 15 -15.926 -12.234 -4.727 94 HA PHE 15 HA PHE 15 -13.183 -12.831 -5.237 95 1HB PHE 15 HB2 PHE 15 -15.726 -14.425 -5.553 96 2HB PHE 15 HB1 PHE 15 -14.144 -15.078 -5.963 97 HD1 PHE 15 HD1 PHE 15 -16.047 -13.548 -3.159 98 HD2 PHE 15 HD2 PHE 15 -12.840 -16.087 -4.335 99 HE1 PHE 15 HE1 PHE 15 -15.714 -14.209 -0.813 100 HE2 PHE 15 HE2 PHE 15 -12.501 -16.752 -1.991 101 HZ PHE 15 HZ PHE 15 -13.939 -15.812 -0.226 102 H TYR 16 HN TYR 16 -15.640 -11.513 -7.169 103 HA TYR 16 HA TYR 16 -14.715 -12.637 -9.662 104 1HB TYR 16 HB2 TYR 16 -17.099 -12.009 -9.277 105 2HB TYR 16 HB1 TYR 16 -16.606 -10.319 -9.229 106 HD1 TYR 16 HD1 TYR 16 -17.497 -9.321 -11.130 107 HD2 TYR 16 HD2 TYR 16 -15.548 -13.085 -11.495 108 HE1 TYR 16 HE1 TYR 16 -17.712 -9.189 -13.576 109 HE2 TYR 16 HE2 TYR 16 -15.756 -12.964 -13.940 110 HH TYR 16 HH TYR 16 -16.297 -11.653 -15.687 111 H GLN 17 HN GLN 17 -14.878 -9.304 -8.390 112 HA GLN 17 HA GLN 17 -12.854 -8.479 -10.306 113 1HB GLN 17 HB2 GLN 17 -14.665 -7.043 -8.398 114 2HB GLN 17 HB1 GLN 17 -13.254 -6.219 -9.048 115 1HG GLN 17 HG2 GLN 17 -14.086 -6.179 -11.184 116 2HG GLN 17 HG1 GLN 17 -15.113 -7.588 -10.926 117 1HE2 GLN 17 HE21 GLN 17 -14.813 -4.605 -9.049 118 2HE2 GLN 17 HE22 GLN 17 -16.461 -4.119 -9.229 119 H GLN 18 HN GLN 18 -11.948 -10.331 -8.365 120 HA GLN 18 HA GLN 18 -10.617 -9.041 -6.218 121 1HB GLN 18 HB2 GLN 18 -11.004 -11.697 -7.107 122 2HB GLN 18 HB1 GLN 18 -9.266 -11.450 -7.021 123 1HG GLN 18 HG2 GLN 18 -9.410 -10.819 -4.715 124 2HG GLN 18 HG1 GLN 18 -11.172 -10.850 -4.773 125 1HE2 GLN 18 HE21 GLN 18 -11.097 -12.339 -3.019 126 2HE2 GLN 18 HE22 GLN 18 -10.756 -14.010 -3.300 127 H LYS 19 HN LYS 19 -9.634 -10.019 -9.472 128 HA LYS 19 HA LYS 19 -6.918 -9.311 -9.200 129 1HB LYS 19 HB2 LYS 19 -8.425 -10.546 -11.133 130 2HB LYS 19 HB1 LYS 19 -8.038 -9.009 -11.893 131 1HG LYS 19 HG2 LYS 19 -5.616 -9.728 -10.902 132 2HG LYS 19 HG1 LYS 19 -6.319 -11.301 -11.282 133 1HD LYS 19 HD2 LYS 19 -6.759 -9.333 -13.383 134 2HD LYS 19 HD1 LYS 19 -5.047 -9.612 -13.058 135 1HE LYS 19 HE2 LYS 19 -5.818 -12.139 -13.100 136 2HE LYS 19 HE1 LYS 19 -7.123 -11.481 -14.086 137 1HZ LYS 19 HZ1 LYS 19 -4.223 -11.493 -14.638 138 2HZ LYS 19 HZ2 LYS 19 -5.247 -10.388 -15.408 139 3HZ LYS 19 HZ3 LYS 19 -5.489 -12.050 -15.612 140 H GLN 20 HN GLN 20 -9.776 -7.470 -9.790 141 HA GLN 20 HA GLN 20 -8.531 -5.164 -10.907 142 1HB GLN 20 HB2 GLN 20 -11.190 -5.998 -10.182 143 2HB GLN 20 HB1 GLN 20 -10.892 -4.375 -9.577 144 1HG GLN 20 HG2 GLN 20 -9.993 -3.963 -11.997 145 2HG GLN 20 HG1 GLN 20 -10.989 -5.366 -12.380 146 1HE2 GLN 20 HE21 GLN 20 -12.580 -4.395 -13.512 147 2HE2 GLN 20 HE22 GLN 20 -13.644 -3.196 -12.869 148 H ARG 21 HN ARG 21 -9.769 -5.897 -7.652 149 HA ARG 21 HA ARG 21 -9.012 -3.540 -6.385 150 1HB ARG 21 HB2 ARG 21 -9.377 -6.357 -5.433 151 2HB ARG 21 HB1 ARG 21 -8.813 -5.112 -4.328 152 1HG ARG 21 HG2 ARG 21 -10.812 -3.906 -4.478 153 2HG ARG 21 HG1 ARG 21 -11.318 -4.759 -5.939 154 1HD ARG 21 HD2 ARG 21 -12.580 -5.515 -3.992 155 2HD ARG 21 HD1 ARG 21 -11.586 -6.814 -4.652 156 HE ARG 21 HE ARG 21 -9.991 -5.817 -2.747 157 1HH1 ARG 21 HH11 ARG 21 -13.357 -6.739 -2.693 158 2HH1 ARG 21 HH12 ARG 21 -13.339 -7.177 -1.018 159 1HH2 ARG 21 HH21 ARG 21 -9.963 -6.394 -0.547 160 2HH2 ARG 21 HH22 ARG 21 -11.409 -6.986 0.200 161 H GLN 22 HN GLN 22 -7.247 -6.620 -6.541 162 HA GLN 22 HA GLN 22 -4.896 -5.555 -5.344 163 1HB GLN 22 HB2 GLN 22 -5.774 -8.044 -5.608 164 2HB GLN 22 HB1 GLN 22 -4.782 -7.990 -7.060 165 1HG GLN 22 HG2 GLN 22 -2.817 -7.705 -5.863 166 2HG GLN 22 HG1 GLN 22 -3.664 -7.143 -4.422 167 1HE2 GLN 22 HE21 GLN 22 -2.551 -9.864 -6.207 168 2HE2 GLN 22 HE22 GLN 22 -2.965 -11.072 -5.044 169 H ALA 23 HN ALA 23 -6.203 -5.309 -8.461 170 HA ALA 23 HA ALA 23 -3.828 -5.276 -10.012 171 1HB ALA 23 HB1 ALA 23 -5.344 -5.189 -11.633 172 2HB ALA 23 HB2 ALA 23 -5.704 -3.520 -11.189 173 3HB ALA 23 HB3 ALA 23 -6.613 -4.841 -10.460 174 H LEU 24 HN LEU 24 -5.889 -2.476 -9.320 175 HA LEU 24 HA LEU 24 -3.825 -0.607 -9.748 176 1HB LEU 24 HB2 LEU 24 -6.605 -0.554 -8.738 177 2HB LEU 24 HB1 LEU 24 -5.601 0.816 -8.315 178 HG LEU 24 HG LEU 24 -6.879 1.302 -10.315 179 1HD1 LEU 24 HD11 LEU 24 -3.976 1.253 -10.272 180 2HD1 LEU 24 HD12 LEU 24 -5.080 2.516 -10.815 181 3HD1 LEU 24 HD13 LEU 24 -4.624 1.213 -11.912 182 1HD2 LEU 24 HD21 LEU 24 -5.522 -1.108 -11.513 183 2HD2 LEU 24 HD22 LEU 24 -6.607 0.003 -12.354 184 3HD2 LEU 24 HD23 LEU 24 -7.220 -1.007 -11.044 185 H GLY 25 HN GLY 25 -5.055 -2.202 -6.853 186 1HA GLY 25 HA2 GLY 25 -3.775 -0.601 -4.934 187 2HA GLY 25 HA1 GLY 25 -4.212 -2.292 -4.713 188 H GLU 26 HN GLU 26 -2.622 -3.398 -6.776 189 HA GLU 26 HA GLU 26 -0.186 -3.772 -5.461 190 1HB GLU 26 HB2 GLU 26 -1.367 -4.586 -7.993 191 2HB GLU 26 HB1 GLU 26 0.356 -4.285 -8.149 192 1HG GLU 26 HG2 GLU 26 -0.761 -6.025 -5.977 193 2HG GLU 26 HG1 GLU 26 -0.377 -6.649 -7.581 194 H GLN 27 HN GLN 27 -1.243 -1.371 -7.772 195 HA GLN 27 HA GLN 27 1.254 -0.406 -8.587 196 1HB GLN 27 HB2 GLN 27 -1.373 1.035 -8.275 197 2HB GLN 27 HB1 GLN 27 0.047 1.745 -9.025 198 1HG GLN 27 HG2 GLN 27 -0.043 -0.413 -10.506 199 2HG GLN 27 HG1 GLN 27 -1.736 -0.417 -10.014 200 1HE2 GLN 27 HE21 GLN 27 -2.434 -0.012 -12.105 201 2HE2 GLN 27 HE22 GLN 27 -2.258 1.535 -12.853 202 H LEU 28 HN LEU 28 -0.652 0.161 -5.703 203 HA LEU 28 HA LEU 28 0.668 2.388 -4.654 204 1HB LEU 28 HB2 LEU 28 -1.405 0.957 -3.810 205 2HB LEU 28 HB1 LEU 28 -0.180 0.190 -2.818 206 HG LEU 28 HG LEU 28 0.406 2.686 -2.178 207 1HD1 LEU 28 HD11 LEU 28 -2.188 2.870 -3.544 208 2HD1 LEU 28 HD12 LEU 28 -0.953 4.098 -3.266 209 3HD1 LEU 28 HD13 LEU 28 -2.092 3.686 -1.986 210 1HD2 LEU 28 HD21 LEU 28 -1.037 0.614 -0.983 211 2HD2 LEU 28 HD22 LEU 28 -2.021 2.058 -0.741 212 3HD2 LEU 28 HD23 LEU 28 -0.345 2.027 -0.191 213 H TYR 29 HN TYR 29 1.488 -1.031 -4.571 214 HA TYR 29 HA TYR 29 3.737 -0.678 -2.817 215 1HB TYR 29 HB2 TYR 29 2.556 -2.789 -2.816 216 2HB TYR 29 HB1 TYR 29 2.892 -3.020 -4.529 217 HD1 TYR 29 HD1 TYR 29 4.921 -2.199 -1.489 218 HD2 TYR 29 HD2 TYR 29 4.463 -4.647 -4.937 219 HE1 TYR 29 HE1 TYR 29 7.005 -3.380 -0.920 220 HE2 TYR 29 HE2 TYR 29 6.541 -5.836 -4.378 221 HH TYR 29 HH TYR 29 8.805 -4.900 -2.733 222 H LYS 30 HN LYS 30 3.461 -1.425 -6.321 223 HA LYS 30 HA LYS 30 6.218 -1.448 -6.828 224 1HB LYS 30 HB2 LYS 30 5.609 -1.036 -9.196 225 2HB LYS 30 HB1 LYS 30 4.665 -2.324 -8.460 226 1HG LYS 30 HG2 LYS 30 2.804 -0.806 -8.149 227 2HG LYS 30 HG1 LYS 30 3.744 0.514 -8.841 228 1HD LYS 30 HD2 LYS 30 3.220 -2.022 -10.366 229 2HD LYS 30 HD1 LYS 30 2.065 -0.687 -10.365 230 1HE LYS 30 HE2 LYS 30 3.320 0.546 -11.750 231 2HE LYS 30 HE1 LYS 30 4.811 0.152 -10.894 232 1HZ LYS 30 HZ1 LYS 30 3.985 -2.156 -12.206 233 2HZ LYS 30 HZ2 LYS 30 5.327 -1.190 -12.559 234 3HZ LYS 30 HZ3 LYS 30 3.849 -0.894 -13.325 235 H LYS 31 HN LYS 31 3.911 1.203 -6.735 236 HA LYS 31 HA LYS 31 5.519 3.197 -7.875 237 1HB LYS 31 HB2 LYS 31 3.002 3.217 -7.267 238 2HB LYS 31 HB1 LYS 31 3.545 3.754 -5.686 239 1HG LYS 31 HG2 LYS 31 3.312 5.796 -6.567 240 2HG LYS 31 HG1 LYS 31 4.893 5.466 -7.277 241 1HD LYS 31 HD2 LYS 31 4.059 5.429 -9.349 242 2HD LYS 31 HD1 LYS 31 2.725 4.376 -8.873 243 1HE LYS 31 HE2 LYS 31 1.948 6.545 -9.745 244 2HE LYS 31 HE1 LYS 31 1.463 6.280 -8.071 245 1HZ LYS 31 HZ1 LYS 31 2.937 8.409 -9.134 246 2HZ LYS 31 HZ2 LYS 31 3.943 7.570 -8.067 247 3HZ LYS 31 HZ3 LYS 31 2.454 8.166 -7.531 248 H VAL 32 HN VAL 32 5.308 1.976 -4.581 249 HA VAL 32 HA VAL 32 7.094 4.009 -3.551 250 HB VAL 32 HB VAL 32 7.064 2.646 -1.461 251 1HG1 VAL 32 HG11 VAL 32 4.427 2.930 -1.248 252 2HG1 VAL 32 HG12 VAL 32 4.678 3.837 -2.738 253 3HG1 VAL 32 HG13 VAL 32 5.529 4.306 -1.267 254 1HG2 VAL 32 HG21 VAL 32 4.952 1.008 -2.832 255 2HG2 VAL 32 HG22 VAL 32 5.592 0.806 -1.203 256 3HG2 VAL 32 HG23 VAL 32 6.612 0.471 -2.592 257 H SER 33 HN SER 33 7.292 0.548 -4.367 258 HA SER 33 HA SER 33 10.067 0.360 -3.668 259 1HB SER 33 HB2 SER 33 9.890 -1.884 -4.161 260 2HB SER 33 HB1 SER 33 8.196 -1.513 -3.850 261 HG SER 33 HG SER 33 7.788 -2.039 -5.830 262 H ALA 34 HN ALA 34 8.704 2.083 -6.025 263 HA ALA 34 HA ALA 34 9.920 1.325 -8.413 264 1HB ALA 34 HB1 ALA 34 9.049 4.019 -7.402 265 2HB ALA 34 HB2 ALA 34 8.183 2.928 -8.484 266 3HB ALA 34 HB3 ALA 34 9.643 3.745 -9.040 267 H LYS 35 HN LYS 35 11.405 2.409 -5.579 268 HA LYS 35 HA LYS 35 13.731 3.444 -7.038 269 1HB LYS 35 HB2 LYS 35 12.684 4.778 -5.156 270 2HB LYS 35 HB1 LYS 35 13.251 3.527 -4.060 271 1HG LYS 35 HG2 LYS 35 14.882 5.181 -3.931 272 2HG LYS 35 HG1 LYS 35 15.573 3.983 -5.026 273 1HD LYS 35 HD2 LYS 35 15.208 5.314 -6.908 274 2HD LYS 35 HD1 LYS 35 14.009 6.313 -6.081 275 1HE LYS 35 HE2 LYS 35 15.615 7.533 -4.950 276 2HE LYS 35 HE1 LYS 35 16.829 6.263 -5.097 277 1HZ LYS 35 HZ1 LYS 35 16.794 6.761 -7.554 278 2HZ LYS 35 HZ2 LYS 35 17.478 7.953 -6.567 279 3HZ LYS 35 HZ3 LYS 35 15.914 8.157 -7.179 280 H THR 36 HN THR 36 12.597 0.741 -5.240 281 HA THR 36 HA THR 36 14.900 -0.795 -5.818 282 HB THR 36 HB THR 36 15.839 0.532 -3.958 283 HG1 THR 36 HG1 THR 36 15.471 -2.007 -2.849 284 1HG2 THR 36 HG21 THR 36 14.074 1.100 -2.551 285 2HG2 THR 36 HG22 THR 36 14.998 -0.090 -1.634 286 3HG2 THR 36 HG23 THR 36 13.504 -0.565 -2.440 287 H SER 37 HN SER 37 14.658 -3.024 -5.206 288 HA SER 37 HA SER 37 11.865 -3.768 -4.921 289 1HB SER 37 HB2 SER 37 13.451 -4.822 -6.608 290 2HB SER 37 HB1 SER 37 14.210 -5.643 -5.244 291 HG SER 37 HG SER 37 12.651 -7.035 -5.334 292 H ASN 38 HN ASN 38 12.938 -2.612 -2.626 293 HA ASN 38 HA ASN 38 13.664 -4.665 -0.744 294 1HB ASN 38 HB2 ASN 38 13.145 -1.717 -0.570 295 2HB ASN 38 HB1 ASN 38 13.254 -2.683 0.899 296 1HD2 ASN 38 HD21 ASN 38 15.094 -1.393 1.428 297 2HD2 ASN 38 HD22 ASN 38 16.634 -1.749 0.731 298 H GLU 39 HN GLU 39 12.017 -6.141 -0.569 299 HA GLU 39 HA GLU 39 9.290 -5.610 -0.520 300 1HB GLU 39 HB2 GLU 39 10.718 -7.845 0.928 301 2HB GLU 39 HB1 GLU 39 9.019 -7.817 0.473 302 1HG GLU 39 HG2 GLU 39 9.841 -7.577 -1.926 303 2HG GLU 39 HG1 GLU 39 11.423 -8.038 -1.302 304 H GLU 40 HN GLU 40 11.673 -5.328 2.002 305 HA GLU 40 HA GLU 40 9.700 -5.037 4.100 306 1HB GLU 40 HB2 GLU 40 12.686 -4.549 4.159 307 2HB GLU 40 HB1 GLU 40 11.625 -4.614 5.560 308 1HG GLU 40 HG2 GLU 40 12.097 -6.770 5.707 309 2HG GLU 40 HG1 GLU 40 11.168 -7.008 4.228 310 H ALA 41 HN ALA 41 11.464 -3.027 1.913 311 HA ALA 41 HA ALA 41 11.154 -0.563 3.351 312 1HB ALA 41 HB1 ALA 41 12.961 -0.871 1.754 313 2HB ALA 41 HB2 ALA 41 11.917 0.462 1.278 314 3HB ALA 41 HB3 ALA 41 11.782 -1.082 0.460 315 H ALA 42 HN ALA 42 9.888 -1.487 0.180 316 HA ALA 42 HA ALA 42 7.921 0.475 0.057 317 1HB ALA 42 HB1 ALA 42 6.899 -1.223 -1.649 318 2HB ALA 42 HB2 ALA 42 8.421 -2.077 -1.396 319 3HB ALA 42 HB3 ALA 42 8.428 -0.418 -1.992 320 H GLY 43 HN GLY 43 7.781 -2.842 1.286 321 1HA GLY 43 HA2 GLY 43 4.977 -2.940 1.637 322 2HA GLY 43 HA1 GLY 43 6.155 -3.942 2.472 323 H LYS 44 HN LYS 44 7.548 -1.514 3.505 324 HA LYS 44 HA LYS 44 6.052 -1.289 5.935 325 1HB LYS 44 HB2 LYS 44 8.713 -0.745 5.099 326 2HB LYS 44 HB1 LYS 44 8.063 0.743 5.770 327 1HG LYS 44 HG2 LYS 44 8.238 -0.022 7.844 328 2HG LYS 44 HG1 LYS 44 7.385 -1.510 7.433 329 1HD LYS 44 HD2 LYS 44 9.540 -2.356 6.465 330 2HD LYS 44 HD1 LYS 44 10.327 -0.938 7.153 331 1HE LYS 44 HE2 LYS 44 10.122 -1.696 9.293 332 2HE LYS 44 HE1 LYS 44 8.639 -2.586 8.948 333 1HZ LYS 44 HZ1 LYS 44 11.311 -3.420 7.966 334 2HZ LYS 44 HZ2 LYS 44 9.875 -4.313 7.921 335 3HZ LYS 44 HZ3 LYS 44 10.627 -3.993 9.403 336 H ILE 45 HN ILE 45 7.075 1.150 3.537 337 HA ILE 45 HA ILE 45 5.387 3.145 4.619 338 HB ILE 45 HB ILE 45 5.877 4.441 2.608 339 1HG1 ILE 45 HG12 ILE 45 7.279 1.931 1.681 340 2HG1 ILE 45 HG11 ILE 45 5.878 2.689 0.928 341 1HG2 ILE 45 HG21 ILE 45 7.488 4.791 4.190 342 2HG2 ILE 45 HG22 ILE 45 8.483 4.182 2.870 343 3HG2 ILE 45 HG23 ILE 45 8.011 3.109 4.188 344 1HD1 ILE 45 HD11 ILE 45 8.501 3.086 0.235 345 2HD1 ILE 45 HD12 ILE 45 8.121 4.511 1.203 346 3HD1 ILE 45 HD13 ILE 45 7.144 4.121 -0.208 347 H THR 46 HN THR 46 4.972 0.798 2.002 348 HA THR 46 HA THR 46 2.630 1.825 0.875 349 HB THR 46 HB THR 46 3.480 -1.060 1.252 350 HG1 THR 46 HG1 THR 46 3.529 0.546 -1.076 351 1HG2 THR 46 HG21 THR 46 1.329 0.011 -0.561 352 2HG2 THR 46 HG22 THR 46 1.081 -1.012 0.853 353 3HG2 THR 46 HG23 THR 46 1.948 -1.640 -0.547 354 H GLY 47 HN GLY 47 3.206 0.082 3.848 355 1HA GLY 47 HA2 GLY 47 0.553 -0.610 4.490 356 2HA GLY 47 HA1 GLY 47 1.859 -0.383 5.645 357 H MET 48 HN MET 48 2.430 2.339 5.078 358 HA MET 48 HA MET 48 0.505 3.606 6.716 359 1HB MET 48 HB2 MET 48 2.833 4.559 5.081 360 2HB MET 48 HB1 MET 48 1.714 5.734 5.760 361 1HG MET 48 HG2 MET 48 3.148 5.663 7.488 362 2HG MET 48 HG1 MET 48 2.175 4.265 7.944 363 1HE MET 48 HE1 MET 48 5.178 5.823 7.375 364 2HE MET 48 HE2 MET 48 6.249 4.807 6.412 365 3HE MET 48 HE3 MET 48 6.204 4.626 8.165 366 H ILE 49 HN ILE 49 1.193 3.808 3.229 367 HA ILE 49 HA ILE 49 -1.058 5.480 2.664 368 HB ILE 49 HB ILE 49 0.487 3.758 0.723 369 1HG1 ILE 49 HG12 ILE 49 1.235 6.531 0.656 370 2HG1 ILE 49 HG11 ILE 49 1.442 5.910 2.291 371 1HG2 ILE 49 HG21 ILE 49 -1.239 4.482 -0.548 372 2HG2 ILE 49 HG22 ILE 49 -0.218 5.912 -0.685 373 3HG2 ILE 49 HG23 ILE 49 -1.550 5.887 0.471 374 1HD1 ILE 49 HD11 ILE 49 2.604 4.679 -0.194 375 2HD1 ILE 49 HD12 ILE 49 2.853 4.130 1.460 376 3HD1 ILE 49 HD13 ILE 49 3.474 5.697 0.952 377 H LEU 50 HN LEU 50 -0.938 2.382 3.671 378 HA LEU 50 HA LEU 50 -2.828 1.168 1.885 379 1HB LEU 50 HB2 LEU 50 -1.008 0.227 3.714 380 2HB LEU 50 HB1 LEU 50 -2.534 -0.040 4.535 381 HG LEU 50 HG LEU 50 -1.879 -2.025 3.305 382 1HD1 LEU 50 HD11 LEU 50 -3.904 -2.383 2.042 383 2HD1 LEU 50 HD12 LEU 50 -4.182 -0.645 1.937 384 3HD1 LEU 50 HD13 LEU 50 -4.271 -1.459 3.498 385 1HD2 LEU 50 HD21 LEU 50 -0.524 -0.860 1.599 386 2HD2 LEU 50 HD22 LEU 50 -2.010 -0.318 0.824 387 3HD2 LEU 50 HD23 LEU 50 -1.636 -2.041 0.908 388 H ASP 51 HN ASP 51 -3.320 3.644 3.806 389 HA ASP 51 HA ASP 51 -5.530 2.810 5.406 390 1HB ASP 51 HB2 ASP 51 -3.939 5.145 5.132 391 2HB ASP 51 HB1 ASP 51 -5.611 5.623 4.856 392 H LEU 52 HN LEU 52 -5.107 3.616 2.095 393 HA LEU 52 HA LEU 52 -7.876 4.377 1.685 394 1HB LEU 52 HB2 LEU 52 -5.431 4.162 -0.020 395 2HB LEU 52 HB1 LEU 52 -7.009 4.262 -0.775 396 HG LEU 52 HG LEU 52 -7.396 6.425 0.322 397 1HD1 LEU 52 HD11 LEU 52 -5.843 7.513 1.670 398 2HD1 LEU 52 HD12 LEU 52 -4.531 6.438 1.192 399 3HD1 LEU 52 HD13 LEU 52 -5.803 5.855 2.263 400 1HD2 LEU 52 HD21 LEU 52 -5.759 7.708 -0.969 401 2HD2 LEU 52 HD22 LEU 52 -6.420 6.363 -1.898 402 3HD2 LEU 52 HD23 LEU 52 -4.806 6.241 -1.196 403 HA PRO 53 HA PRO 53 -9.300 0.136 1.368 404 1HB PRO 53 HB2 PRO 53 -11.213 1.501 -0.482 405 2HB PRO 53 HB1 PRO 53 -11.535 0.327 0.801 406 1HG PRO 53 HG2 PRO 53 -12.003 2.916 1.193 407 2HG PRO 53 HG1 PRO 53 -11.317 1.912 2.484 408 1HD PRO 53 HD2 PRO 53 -9.999 3.956 0.772 409 2HD PRO 53 HD1 PRO 53 -9.648 3.484 2.446 410 HA PRO 54 HA PRO 54 -7.919 -1.770 -2.357 411 1HB PRO 54 HB2 PRO 54 -10.719 -2.497 -3.076 412 2HB PRO 54 HB1 PRO 54 -9.283 -3.521 -2.961 413 1HG PRO 54 HG2 PRO 54 -11.135 -3.572 -1.055 414 2HG PRO 54 HG1 PRO 54 -9.411 -3.665 -0.649 415 1HD PRO 54 HD2 PRO 54 -11.299 -1.367 -0.391 416 2HD PRO 54 HD1 PRO 54 -9.951 -1.846 0.660 417 H GLN 55 HN GLN 55 -11.159 -0.658 -3.336 418 HA GLN 55 HA GLN 55 -10.158 0.291 -5.854 419 1HB GLN 55 HB2 GLN 55 -12.880 0.852 -4.686 420 2HB GLN 55 HB1 GLN 55 -12.413 0.847 -6.383 421 1HG GLN 55 HG2 GLN 55 -11.799 -1.700 -5.315 422 2HG GLN 55 HG1 GLN 55 -13.434 -1.280 -4.806 423 1HE2 GLN 55 HE21 GLN 55 -12.350 -3.247 -6.778 424 2HE2 GLN 55 HE22 GLN 55 -13.211 -2.920 -8.239 425 H GLU 56 HN GLU 56 -11.289 1.802 -2.869 426 HA GLU 56 HA GLU 56 -11.298 4.458 -3.717 427 1HB GLU 56 HB2 GLU 56 -10.666 3.396 -0.963 428 2HB GLU 56 HB1 GLU 56 -11.148 5.044 -1.344 429 1HG GLU 56 HG2 GLU 56 -13.146 3.491 -2.458 430 2HG GLU 56 HG1 GLU 56 -12.765 2.678 -0.941 431 H VAL 57 HN VAL 57 -8.612 2.385 -3.229 432 HA VAL 57 HA VAL 57 -6.778 4.581 -2.726 433 HB VAL 57 HB VAL 57 -6.455 2.356 -1.644 434 1HG1 VAL 57 HG11 VAL 57 -6.493 0.496 -2.846 435 2HG1 VAL 57 HG12 VAL 57 -5.027 1.014 -3.674 436 3HG1 VAL 57 HG13 VAL 57 -6.606 1.432 -4.334 437 1HG2 VAL 57 HG21 VAL 57 -4.278 3.556 -3.326 438 2HG2 VAL 57 HG22 VAL 57 -3.972 2.261 -2.168 439 3HG2 VAL 57 HG23 VAL 57 -4.609 3.808 -1.615 440 H PHE 58 HN PHE 58 -7.909 2.673 -5.388 441 HA PHE 58 HA PHE 58 -5.962 2.766 -7.276 442 1HB PHE 58 HB2 PHE 58 -8.893 3.377 -7.690 443 2HB PHE 58 HB1 PHE 58 -7.758 3.089 -8.994 444 HD1 PHE 58 HD1 PHE 58 -9.536 1.396 -9.594 445 HD2 PHE 58 HD2 PHE 58 -7.067 1.042 -6.150 446 HE1 PHE 58 HE1 PHE 58 -10.027 -1.008 -9.497 447 HE2 PHE 58 HE2 PHE 58 -7.557 -1.368 -6.044 448 HZ PHE 58 HZ PHE 58 -9.037 -2.391 -7.728 449 HA PRO 59 HA PRO 59 -7.299 7.361 -8.499 450 1HB PRO 59 HB2 PRO 59 -8.097 8.280 -5.786 451 2HB PRO 59 HB1 PRO 59 -8.795 8.675 -7.360 452 1HG PRO 59 HG2 PRO 59 -10.053 7.013 -5.711 453 2HG PRO 59 HG1 PRO 59 -10.023 6.706 -7.458 454 1HD PRO 59 HD2 PRO 59 -8.422 5.423 -5.279 455 2HD PRO 59 HD1 PRO 59 -9.175 4.688 -6.706 456 H LEU 60 HN LEU 60 -5.955 6.557 -5.351 457 HA LEU 60 HA LEU 60 -4.167 8.810 -5.318 458 1HB LEU 60 HB2 LEU 60 -4.877 8.071 -3.207 459 2HB LEU 60 HB1 LEU 60 -4.573 6.390 -3.593 460 HG LEU 60 HG LEU 60 -2.068 7.657 -3.759 461 1HD1 LEU 60 HD11 LEU 60 -2.499 8.286 -1.064 462 2HD1 LEU 60 HD12 LEU 60 -3.775 9.092 -1.975 463 3HD1 LEU 60 HD13 LEU 60 -2.085 9.376 -2.384 464 1HD2 LEU 60 HD21 LEU 60 -1.451 5.956 -2.419 465 2HD2 LEU 60 HD22 LEU 60 -3.085 5.372 -2.735 466 3HD2 LEU 60 HD23 LEU 60 -2.739 6.266 -1.255 467 H LEU 61 HN LEU 61 -3.743 5.300 -5.580 468 HA LEU 61 HA LEU 61 -0.986 5.374 -6.057 469 1HB LEU 61 HB2 LEU 61 -1.379 3.035 -6.995 470 2HB LEU 61 HB1 LEU 61 -1.802 3.331 -5.321 471 HG LEU 61 HG LEU 61 -4.185 3.823 -6.466 472 1HD1 LEU 61 HD11 LEU 61 -4.103 1.590 -8.051 473 2HD1 LEU 61 HD12 LEU 61 -2.622 2.441 -8.475 474 3HD1 LEU 61 HD13 LEU 61 -4.177 3.257 -8.607 475 1HD2 LEU 61 HD21 LEU 61 -4.805 1.537 -5.833 476 2HD2 LEU 61 HD22 LEU 61 -3.789 2.307 -4.617 477 3HD2 LEU 61 HD23 LEU 61 -3.097 1.117 -5.711 478 H GLU 62 HN GLU 62 -3.444 6.374 -8.147 479 HA GLU 62 HA GLU 62 -1.854 5.701 -10.521 480 1HB GLU 62 HB2 GLU 62 -3.852 6.318 -11.815 481 2HB GLU 62 HB1 GLU 62 -4.196 5.054 -10.642 482 1HG GLU 62 HG2 GLU 62 -5.912 6.279 -9.976 483 2HG GLU 62 HG1 GLU 62 -4.742 7.400 -9.280 484 H SER 63 HN SER 63 -2.653 8.305 -8.447 485 HA SER 63 HA SER 63 -1.828 10.278 -10.458 486 1HB SER 63 HB2 SER 63 -3.958 10.483 -8.924 487 2HB SER 63 HB1 SER 63 -2.788 11.039 -7.731 488 HG SER 63 HG SER 63 -3.341 12.160 -10.272 489 H ASP 64 HN ASP 64 0.184 11.023 -10.429 490 HA ASP 64 HA ASP 64 2.122 10.163 -8.606 491 1HB ASP 64 HB2 ASP 64 2.088 12.418 -10.604 492 2HB ASP 64 HB1 ASP 64 3.503 12.071 -9.615 493 H GLU 65 HN GLU 65 0.530 13.339 -8.872 494 HA GLU 65 HA GLU 65 1.835 14.527 -6.692 495 1HB GLU 65 HB2 GLU 65 0.086 15.396 -8.585 496 2HB GLU 65 HB1 GLU 65 -0.946 15.380 -7.163 497 1HG GLU 65 HG2 GLU 65 -0.150 17.441 -6.841 498 2HG GLU 65 HG1 GLU 65 1.255 16.607 -6.179 499 H LEU 66 HN LEU 66 -1.348 12.924 -6.845 500 HA LEU 66 HA LEU 66 -2.034 13.239 -4.149 501 1HB LEU 66 HB2 LEU 66 -3.218 12.136 -6.360 502 2HB LEU 66 HB1 LEU 66 -2.895 10.715 -5.385 503 HG LEU 66 HG LEU 66 -5.153 11.560 -5.001 504 1HD1 LEU 66 HD11 LEU 66 -5.097 11.044 -2.821 505 2HD1 LEU 66 HD12 LEU 66 -3.935 12.315 -2.446 506 3HD1 LEU 66 HD13 LEU 66 -3.377 10.776 -3.102 507 1HD2 LEU 66 HD21 LEU 66 -4.271 13.966 -3.565 508 2HD2 LEU 66 HD22 LEU 66 -5.679 13.709 -4.595 509 3HD2 LEU 66 HD23 LEU 66 -4.105 14.037 -5.318 510 H PHE 67 HN PHE 67 0.042 10.923 -5.744 511 HA PHE 67 HA PHE 67 0.241 9.110 -3.548 512 1HB PHE 67 HB2 PHE 67 0.888 8.819 -6.106 513 2HB PHE 67 HB1 PHE 67 2.459 9.368 -5.533 514 HD1 PHE 67 HD1 PHE 67 3.870 7.937 -4.220 515 HD2 PHE 67 HD2 PHE 67 -0.087 6.752 -5.240 516 HE1 PHE 67 HE1 PHE 67 4.362 5.654 -3.457 517 HE2 PHE 67 HE2 PHE 67 0.401 4.464 -4.486 518 HZ PHE 67 HZ PHE 67 2.619 3.912 -3.586 519 H GLU 68 HN GLU 68 2.402 11.613 -4.841 520 HA GLU 68 HA GLU 68 4.519 11.494 -3.163 521 1HB GLU 68 HB2 GLU 68 3.085 13.884 -4.295 522 2HB GLU 68 HB1 GLU 68 4.547 14.062 -3.334 523 1HG GLU 68 HG2 GLU 68 5.763 12.659 -4.916 524 2HG GLU 68 HG1 GLU 68 4.295 12.474 -5.876 525 H GLN 69 HN GLN 69 1.493 13.239 -2.442 526 HA GLN 69 HA GLN 69 2.176 14.243 0.057 527 1HB GLN 69 HB2 GLN 69 -0.257 13.838 -1.470 528 2HB GLN 69 HB1 GLN 69 -0.537 13.610 0.251 529 1HG GLN 69 HG2 GLN 69 -0.954 15.861 -0.067 530 2HG GLN 69 HG1 GLN 69 0.702 15.841 0.536 531 1HE2 GLN 69 HE21 GLN 69 2.420 16.091 -0.991 532 2HE2 GLN 69 HE22 GLN 69 2.155 16.954 -2.463 533 H HIS 70 HN HIS 70 0.176 11.362 -0.504 534 HA HIS 70 HA HIS 70 0.275 10.460 2.164 535 1HB HIS 70 HB2 HIS 70 -0.597 9.331 -0.425 536 2HB HIS 70 HB1 HIS 70 -0.155 8.145 0.799 537 HD2 HIS 70 HD2 HIS 70 -3.079 10.421 -0.124 538 HE1 HIS 70 HE1 HIS 70 -3.886 8.886 3.754 539 HE2 HIS 70 HE2 HIS 70 -4.774 10.244 1.826 540 H TYR 71 HN TYR 71 2.119 9.414 -0.685 541 HA TYR 71 HA TYR 71 3.744 7.569 0.681 542 1HB TYR 71 HB2 TYR 71 3.729 7.230 -1.604 543 2HB TYR 71 HB1 TYR 71 3.832 8.945 -1.966 544 HD1 TYR 71 HD1 TYR 71 5.815 9.815 -2.720 545 HD2 TYR 71 HD2 TYR 71 5.882 6.169 -0.536 546 HE1 TYR 71 HE1 TYR 71 8.212 9.592 -3.190 547 HE2 TYR 71 HE2 TYR 71 8.292 5.932 -0.997 548 HH TYR 71 HH TYR 71 10.211 7.416 -1.575 549 H LYS 72 HN LYS 72 3.729 10.972 0.792 550 HA LYS 72 HA LYS 72 6.516 11.418 1.161 551 1HB LYS 72 HB2 LYS 72 4.563 13.116 0.665 552 2HB LYS 72 HB1 LYS 72 4.469 13.202 2.413 553 1HG LYS 72 HG2 LYS 72 7.181 13.455 1.368 554 2HG LYS 72 HG1 LYS 72 6.081 14.726 0.830 555 1HD LYS 72 HD2 LYS 72 6.267 13.926 3.717 556 2HD LYS 72 HD1 LYS 72 7.376 15.103 3.011 557 1HE LYS 72 HE2 LYS 72 4.468 15.480 2.547 558 2HE LYS 72 HE1 LYS 72 5.095 15.824 4.159 559 1HZ LYS 72 HZ1 LYS 72 5.106 17.549 2.081 560 2HZ LYS 72 HZ2 LYS 72 6.685 16.946 2.041 561 3HZ LYS 72 HZ3 LYS 72 6.092 17.671 3.450 562 H GLU 73 HN GLU 73 3.830 11.461 3.518 563 HA GLU 73 HA GLU 73 5.336 11.612 5.828 564 1HB GLU 73 HB2 GLU 73 2.723 10.157 5.366 565 2HB GLU 73 HB1 GLU 73 3.402 10.488 6.955 566 1HG GLU 73 HG2 GLU 73 2.511 12.510 6.965 567 2HG GLU 73 HG1 GLU 73 3.314 12.913 5.449 568 H ALA 74 HN ALA 74 4.631 8.840 3.803 569 HA ALA 74 HA ALA 74 5.668 6.886 5.614 570 1HB ALA 74 HB1 ALA 74 4.952 5.373 4.094 571 2HB ALA 74 HB2 ALA 74 5.614 6.277 2.732 572 3HB ALA 74 HB3 ALA 74 4.074 6.756 3.441 573 H SER 75 HN SER 75 6.872 8.574 2.748 574 HA SER 75 HA SER 75 9.283 7.339 2.329 575 1HB SER 75 HB2 SER 75 8.756 9.015 0.790 576 2HB SER 75 HB1 SER 75 8.441 10.209 2.049 577 HG SER 75 HG SER 75 10.629 9.977 0.713 578 H ALA 76 HN ALA 76 8.729 10.094 4.536 579 HA ALA 76 HA ALA 76 11.250 10.328 5.618 580 1HB ALA 76 HB1 ALA 76 10.223 11.836 6.892 581 2HB ALA 76 HB2 ALA 76 9.329 10.573 7.735 582 3HB ALA 76 HB3 ALA 76 8.678 11.273 6.255 583 H ALA 77 HN ALA 77 8.678 8.092 6.534 584 HA ALA 77 HA ALA 77 10.200 6.804 8.610 585 1HB ALA 77 HB1 ALA 77 7.523 6.857 7.846 586 2HB ALA 77 HB2 ALA 77 8.233 5.933 9.170 587 3HB ALA 77 HB3 ALA 77 8.042 5.193 7.580 588 H TYR 78 HN TYR 78 9.940 6.536 5.231 589 HA TYR 78 HA TYR 78 10.551 3.857 4.725 590 1HB TYR 78 HB2 TYR 78 9.910 5.707 3.075 591 2HB TYR 78 HB1 TYR 78 11.593 6.202 3.125 592 HD1 TYR 78 HD1 TYR 78 9.823 5.214 0.760 593 HD2 TYR 78 HD2 TYR 78 12.730 3.318 3.222 594 HE1 TYR 78 HE1 TYR 78 10.326 3.644 -1.064 595 HE2 TYR 78 HE2 TYR 78 13.244 1.747 1.427 596 HH TYR 78 HH TYR 78 11.441 1.033 -0.980 597 H GLU 79 HN GLU 79 12.716 6.657 4.972 598 HA GLU 79 HA GLU 79 15.131 5.238 4.790 599 1HB GLU 79 HB2 GLU 79 14.419 7.930 5.916 600 2HB GLU 79 HB1 GLU 79 16.069 7.323 5.955 601 1HG GLU 79 HG2 GLU 79 16.314 7.441 3.674 602 2HG GLU 79 HG1 GLU 79 14.579 7.337 3.376 603 H SER 80 HN SER 80 13.202 6.181 7.597 604 HA SER 80 HA SER 80 15.003 5.497 9.589 605 1HB SER 80 HB2 SER 80 12.666 6.663 9.722 606 2HB SER 80 HB1 SER 80 12.065 5.023 9.961 607 HG SER 80 HG SER 80 13.071 4.908 11.857 608 H PHE 81 HN PHE 81 12.569 3.517 7.956 609 HA PHE 81 HA PHE 81 13.101 1.176 9.470 610 1HB PHE 81 HB2 PHE 81 11.640 1.661 6.886 611 2HB PHE 81 HB1 PHE 81 11.823 0.053 7.578 612 HD1 PHE 81 HD1 PHE 81 9.633 2.662 7.286 613 HD2 PHE 81 HD2 PHE 81 11.272 0.083 10.243 614 HE1 PHE 81 HE1 PHE 81 7.662 3.053 8.716 615 HE2 PHE 81 HE2 PHE 81 9.309 0.465 11.677 616 HZ PHE 81 HZ PHE 81 7.500 1.951 10.914 617 H LYS 82 HN LYS 82 13.832 1.973 6.069 618 HA LYS 82 HA LYS 82 15.344 -0.311 5.554 619 1HB LYS 82 HB2 LYS 82 16.091 0.774 3.560 620 2HB LYS 82 HB1 LYS 82 14.410 1.206 3.836 621 1HG LYS 82 HG2 LYS 82 14.922 3.386 4.378 622 2HG LYS 82 HG1 LYS 82 16.594 3.002 4.791 623 1HD LYS 82 HD2 LYS 82 17.179 2.726 2.498 624 2HD LYS 82 HD1 LYS 82 15.488 2.793 1.997 625 1HE LYS 82 HE2 LYS 82 16.520 4.901 1.495 626 2HE LYS 82 HE1 LYS 82 15.393 5.129 2.831 627 1HZ LYS 82 HZ1 LYS 82 17.802 6.107 2.918 628 2HZ LYS 82 HZ2 LYS 82 18.194 4.553 3.461 629 3HZ LYS 82 HZ3 LYS 82 17.069 5.486 4.311 630 H LYS 83 HN LYS 83 16.255 2.642 7.167 631 HA LYS 83 HA LYS 83 19.089 2.144 6.894 632 1HB LYS 83 HB2 LYS 83 17.476 4.212 8.364 633 2HB LYS 83 HB1 LYS 83 19.207 4.059 8.615 634 1HG LYS 83 HG2 LYS 83 19.331 4.233 6.025 635 2HG LYS 83 HG1 LYS 83 17.722 4.938 6.181 636 1HD LYS 83 HD2 LYS 83 20.004 5.930 7.850 637 2HD LYS 83 HD1 LYS 83 19.774 6.505 6.198 638 1HE LYS 83 HE2 LYS 83 17.255 6.635 7.450 639 2HE LYS 83 HE1 LYS 83 18.418 7.292 8.600 640 1HZ LYS 83 HZ1 LYS 83 17.312 8.755 6.715 641 2HZ LYS 83 HZ2 LYS 83 18.639 8.188 5.833 642 3HZ LYS 83 HZ3 LYS 83 18.883 9.045 7.271 643 H GLU 84 HN GLU 84 16.604 1.678 9.342 644 HA GLU 84 HA GLU 84 18.484 0.895 11.374 645 1HB GLU 84 HB2 GLU 84 15.714 1.558 11.270 646 2HB GLU 84 HB1 GLU 84 15.866 -0.030 12.006 647 1HG GLU 84 HG2 GLU 84 17.801 1.889 13.023 648 2HG GLU 84 HG1 GLU 84 16.128 2.377 13.287 649 H GLN 85 HN GLN 85 17.556 -0.639 8.628 650 HA GLN 85 HA GLN 85 16.972 -3.251 9.556 651 1HB GLN 85 HB2 GLN 85 17.911 -2.119 6.937 652 2HB GLN 85 HB1 GLN 85 17.832 -3.859 7.177 653 1HG GLN 85 HG2 GLN 85 15.382 -2.689 8.048 654 2HG GLN 85 HG1 GLN 85 15.765 -2.099 6.431 655 1HE2 GLN 85 HE21 GLN 85 15.490 -5.049 8.354 656 2HE2 GLN 85 HE22 GLN 85 14.983 -6.064 7.051 657 H GLU 86 HN GLU 86 18.386 -4.088 11.000 658 HA GLU 86 HA GLU 86 21.241 -3.874 10.580 659 1HB GLU 86 HB2 GLU 86 19.462 -4.752 12.774 660 2HB GLU 86 HB1 GLU 86 21.022 -5.558 12.682 661 1HG GLU 86 HG2 GLU 86 21.674 -2.904 12.377 662 2HG GLU 86 HG1 GLU 86 20.357 -2.867 13.548 663 H GLN 87 HN GLN 87 19.407 -5.499 8.768 664 HA GLN 87 HA GLN 87 20.601 -8.152 9.104 665 1HB GLN 87 HB2 GLN 87 18.288 -7.149 7.443 666 2HB GLN 87 HB1 GLN 87 18.953 -8.768 7.273 667 1HG GLN 87 HG2 GLN 87 17.954 -7.709 9.896 668 2HG GLN 87 HG1 GLN 87 16.902 -8.513 8.731 669 1HE2 GLN 87 HE21 GLN 87 16.603 -9.987 10.565 670 2HE2 GLN 87 HE22 GLN 87 17.719 -11.291 10.761 671 H GLN 88 HN GLN 88 20.194 -5.554 6.734 672 HA GLN 88 HA GLN 88 21.993 -6.842 4.857 673 1HB GLN 88 HB2 GLN 88 20.528 -4.200 4.786 674 2HB GLN 88 HB1 GLN 88 21.583 -4.764 3.499 675 1HG GLN 88 HG2 GLN 88 19.412 -6.576 4.373 676 2HG GLN 88 HG1 GLN 88 18.958 -5.133 3.467 677 1HE2 GLN 88 HE21 GLN 88 20.077 -4.796 1.397 678 2HE2 GLN 88 HE22 GLN 88 20.490 -6.181 0.450 679 H THR 89 HN THR 89 23.777 -5.482 3.894 680 HA THR 89 HA THR 89 25.308 -4.291 6.089 681 HB THR 89 HB THR 89 26.511 -4.933 3.427 682 HG1 THR 89 HG1 THR 89 26.896 -7.086 4.529 683 1HG2 THR 89 HG21 THR 89 27.838 -3.892 5.279 684 2HG2 THR 89 HG22 THR 89 28.473 -5.416 4.660 685 3HG2 THR 89 HG23 THR 89 27.598 -5.382 6.191 686 H GLU 90 HN GLU 90 24.099 -2.295 5.939 687 HA GLU 90 HA GLU 90 24.188 -0.696 3.576 688 1HB GLU 90 HB2 GLU 90 23.208 -0.400 6.348 689 2HB GLU 90 HB1 GLU 90 23.666 1.095 5.544 690 1HG GLU 90 HG2 GLU 90 22.066 -0.552 3.807 691 2HG GLU 90 HG1 GLU 90 21.248 -0.270 5.343 692 H GLN 91 HN GLN 91 25.797 0.519 2.847 693 HA GLN 91 HA GLN 91 28.153 0.916 4.520 694 1HB GLN 91 HB2 GLN 91 27.629 0.669 1.671 695 2HB GLN 91 HB1 GLN 91 28.651 2.056 2.024 696 1HG GLN 91 HG2 GLN 91 29.673 -0.036 3.565 697 2HG GLN 91 HG1 GLN 91 29.303 -0.741 1.993 698 1HE2 GLN 91 HE21 GLN 91 31.174 1.662 3.692 699 2HE2 GLN 91 HE22 GLN 91 32.322 1.945 2.433 700 H ALA 92 HN ALA 92 25.576 2.717 3.000 701 HA ALA 92 HA ALA 92 26.779 5.288 3.590 702 1HB ALA 92 HB1 ALA 92 23.947 4.892 2.695 703 2HB ALA 92 HB2 ALA 92 25.291 4.715 1.567 704 3HB ALA 92 HB3 ALA 92 25.030 6.251 2.392 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -13.128 -19.444 -28.946 2 2H GLY 1 HT2 GLY 1 -14.484 -18.520 -28.538 3 3H GLY 1 HT3 GLY 1 -14.601 -20.206 -28.610 4 1HA GLY 1 HA1 GLY 1 -13.688 -18.516 -26.472 5 2HA GLY 1 HA2 GLY 1 -14.297 -20.163 -26.414 6 HA PRO 2 HA PRO 2 -9.422 -20.098 -27.444 7 1HB PRO 2 HB2 PRO 2 -8.929 -17.864 -25.531 8 2HB PRO 2 HB1 PRO 2 -8.080 -18.273 -27.027 9 1HG PRO 2 HG2 PRO 2 -9.778 -16.228 -26.953 10 2HG PRO 2 HG1 PRO 2 -9.696 -17.293 -28.369 11 1HD PRO 2 HD2 PRO 2 -11.743 -17.176 -26.200 12 2HD PRO 2 HD1 PRO 2 -11.947 -17.519 -27.930 13 H LEU 3 HN LEU 3 -10.568 -18.905 -24.284 14 HA LEU 3 HA LEU 3 -9.120 -21.089 -22.978 15 1HB LEU 3 HB2 LEU 3 -8.967 -18.599 -22.288 16 2HB LEU 3 HB1 LEU 3 -10.539 -18.857 -21.559 17 HG LEU 3 HG LEU 3 -8.703 -19.042 -19.934 18 1HD1 LEU 3 HD11 LEU 3 -10.898 -20.625 -20.144 19 2HD1 LEU 3 HD12 LEU 3 -9.806 -20.593 -18.761 20 3HD1 LEU 3 HD13 LEU 3 -9.613 -21.824 -20.009 21 1HD2 LEU 3 HD21 LEU 3 -6.962 -19.900 -21.384 22 2HD2 LEU 3 HD22 LEU 3 -7.854 -21.406 -21.603 23 3HD2 LEU 3 HD23 LEU 3 -7.206 -20.988 -20.018 24 H GLY 4 HN GLY 4 -12.353 -19.692 -23.294 25 1HA GLY 4 HA2 GLY 4 -13.475 -21.893 -21.717 26 2HA GLY 4 HA1 GLY 4 -14.335 -20.450 -22.229 27 H SER 5 HN SER 5 -15.391 -23.019 -22.496 28 HA SER 5 HA SER 5 -15.027 -23.823 -25.259 29 1HB SER 5 HB2 SER 5 -15.669 -25.204 -22.954 30 2HB SER 5 HB1 SER 5 -17.207 -25.121 -23.810 31 HG SER 5 HG SER 5 -16.169 -26.911 -24.564 32 HA PRO 6 HA PRO 6 -19.640 -22.530 -25.522 33 1HB PRO 6 HB2 PRO 6 -20.766 -21.209 -23.446 34 2HB PRO 6 HB1 PRO 6 -20.752 -22.972 -23.562 35 1HG PRO 6 HG2 PRO 6 -18.978 -21.164 -21.973 36 2HG PRO 6 HG1 PRO 6 -19.715 -22.707 -21.504 37 1HD PRO 6 HD2 PRO 6 -17.123 -22.473 -22.294 38 2HD PRO 6 HD1 PRO 6 -18.081 -23.946 -22.539 39 H ARG 7 HN ARG 7 -20.006 -20.804 -26.771 40 HA ARG 7 HA ARG 7 -18.324 -18.485 -26.508 41 1HB ARG 7 HB2 ARG 7 -19.353 -17.747 -28.596 42 2HB ARG 7 HB1 ARG 7 -18.814 -19.417 -28.713 43 1HG ARG 7 HG2 ARG 7 -20.900 -20.213 -28.986 44 2HG ARG 7 HG1 ARG 7 -21.608 -19.040 -27.875 45 1HD ARG 7 HD2 ARG 7 -22.465 -18.492 -29.999 46 2HD ARG 7 HD1 ARG 7 -21.205 -17.302 -29.676 47 HE ARG 7 HE ARG 7 -20.247 -19.575 -31.131 48 1HH1 ARG 7 HH11 ARG 7 -21.854 -16.491 -31.433 49 2HH1 ARG 7 HH12 ARG 7 -21.371 -16.261 -33.079 50 1HH2 ARG 7 HH21 ARG 7 -19.614 -19.273 -33.297 51 2HH2 ARG 7 HH22 ARG 7 -20.101 -17.839 -34.138 52 H ASN 8 HN ASN 8 -21.071 -19.298 -24.932 53 HA ASN 8 HA ASN 8 -22.241 -16.615 -25.008 54 1HB ASN 8 HB2 ASN 8 -23.226 -19.312 -24.243 55 2HB ASN 8 HB1 ASN 8 -23.872 -17.950 -23.334 56 1HD2 ASN 8 HD21 ASN 8 -23.128 -18.764 -26.709 57 2HD2 ASN 8 HD22 ASN 8 -24.605 -18.151 -27.359 58 H ALA 9 HN ALA 9 -21.243 -15.234 -23.673 59 HA ALA 9 HA ALA 9 -19.902 -16.062 -21.291 60 1HB ALA 9 HB1 ALA 9 -19.924 -13.773 -22.917 61 2HB ALA 9 HB2 ALA 9 -18.901 -14.093 -21.517 62 3HB ALA 9 HB3 ALA 9 -20.431 -13.241 -21.314 63 H ASN 10 HN ASN 10 -21.946 -17.198 -20.534 64 HA ASN 10 HA ASN 10 -23.914 -15.449 -19.301 65 1HB ASN 10 HB2 ASN 10 -23.828 -18.206 -20.160 66 2HB ASN 10 HB1 ASN 10 -24.391 -18.102 -18.494 67 1HD2 ASN 10 HD21 ASN 10 -25.739 -15.721 -18.518 68 2HD2 ASN 10 HD22 ASN 10 -27.112 -15.842 -19.561 69 H ASP 11 HN ASP 11 -21.270 -17.567 -18.375 70 HA ASP 11 HA ASP 11 -21.787 -17.071 -15.542 71 1HB ASP 11 HB2 ASP 11 -20.635 -19.223 -17.029 72 2HB ASP 11 HB1 ASP 11 -19.419 -18.609 -15.913 73 H ASN 12 HN ASN 12 -20.491 -15.871 -14.245 74 HA ASN 12 HA ASN 12 -18.561 -14.145 -15.577 75 1HB ASN 12 HB2 ASN 12 -18.583 -12.888 -13.427 76 2HB ASN 12 HB1 ASN 12 -20.182 -13.053 -14.149 77 1HD2 ASN 12 HD21 ASN 12 -19.414 -12.557 -11.379 78 2HD2 ASN 12 HD22 ASN 12 -20.125 -13.830 -10.452 79 H ASN 13 HN ASN 13 -16.577 -13.559 -14.170 80 HA ASN 13 HA ASN 13 -15.228 -16.073 -13.547 81 1HB ASN 13 HB2 ASN 13 -14.340 -13.339 -14.332 82 2HB ASN 13 HB1 ASN 13 -13.237 -14.315 -13.365 83 1HD2 ASN 13 HD21 ASN 13 -13.357 -16.751 -14.241 84 2HD2 ASN 13 HD22 ASN 13 -13.018 -16.872 -15.930 85 H GLN 14 HN GLN 14 -14.178 -16.474 -11.604 86 HA GLN 14 HA GLN 14 -15.388 -15.310 -9.295 87 1HB GLN 14 HB2 GLN 14 -13.201 -17.341 -9.684 88 2HB GLN 14 HB1 GLN 14 -13.680 -16.781 -8.088 89 1HG GLN 14 HG2 GLN 14 -15.592 -17.999 -10.061 90 2HG GLN 14 HG1 GLN 14 -14.728 -18.924 -8.836 91 1HE2 GLN 14 HE21 GLN 14 -17.151 -16.473 -9.401 92 2HE2 GLN 14 HE22 GLN 14 -17.892 -16.566 -7.843 93 H PHE 15 HN PHE 15 -11.939 -15.540 -10.214 94 HA PHE 15 HA PHE 15 -11.267 -13.374 -8.429 95 1HB PHE 15 HB2 PHE 15 -9.854 -15.471 -9.810 96 2HB PHE 15 HB1 PHE 15 -9.070 -13.925 -10.120 97 HD1 PHE 15 HD1 PHE 15 -10.187 -16.224 -7.449 98 HD2 PHE 15 HD2 PHE 15 -7.789 -12.856 -8.461 99 HE1 PHE 15 HE1 PHE 15 -9.097 -16.343 -5.246 100 HE2 PHE 15 HE2 PHE 15 -6.694 -12.970 -6.260 101 HZ PHE 15 HZ PHE 15 -7.347 -14.715 -4.650 102 H TYR 16 HN TYR 16 -13.106 -12.440 -10.181 103 HA TYR 16 HA TYR 16 -11.693 -10.978 -12.275 104 1HB TYR 16 HB2 TYR 16 -13.901 -12.202 -12.658 105 2HB TYR 16 HB1 TYR 16 -14.655 -10.926 -11.708 106 HD1 TYR 16 HD1 TYR 16 -15.728 -9.343 -12.982 107 HD2 TYR 16 HD2 TYR 16 -12.150 -11.088 -14.486 108 HE1 TYR 16 HE1 TYR 16 -15.904 -7.952 -15.001 109 HE2 TYR 16 HE2 TYR 16 -12.318 -9.701 -16.511 110 HH TYR 16 HH TYR 16 -13.699 -7.166 -16.890 111 H GLN 17 HN GLN 17 -14.108 -10.247 -9.754 112 HA GLN 17 HA GLN 17 -13.508 -7.446 -9.803 113 1HB GLN 17 HB2 GLN 17 -15.129 -9.080 -7.841 114 2HB GLN 17 HB1 GLN 17 -15.064 -7.322 -7.880 115 1HG GLN 17 HG2 GLN 17 -16.556 -7.201 -9.521 116 2HG GLN 17 HG1 GLN 17 -15.754 -8.460 -10.457 117 1HE2 GLN 17 HE21 GLN 17 -15.935 -10.638 -8.905 118 2HE2 GLN 17 HE22 GLN 17 -17.587 -11.063 -8.627 119 H GLN 18 HN GLN 18 -12.409 -10.200 -8.002 120 HA GLN 18 HA GLN 18 -11.273 -8.736 -5.829 121 1HB GLN 18 HB2 GLN 18 -10.652 -11.527 -6.810 122 2HB GLN 18 HB1 GLN 18 -10.161 -10.850 -5.264 123 1HG GLN 18 HG2 GLN 18 -12.573 -10.573 -4.700 124 2HG GLN 18 HG1 GLN 18 -12.961 -11.447 -6.182 125 1HE2 GLN 18 HE21 GLN 18 -12.671 -11.793 -2.968 126 2HE2 GLN 18 HE22 GLN 18 -12.267 -13.470 -2.872 127 H LYS 19 HN LYS 19 -9.912 -10.280 -8.741 128 HA LYS 19 HA LYS 19 -7.250 -9.587 -8.314 129 1HB LYS 19 HB2 LYS 19 -8.433 -11.046 -10.180 130 2HB LYS 19 HB1 LYS 19 -8.317 -9.551 -11.098 131 1HG LYS 19 HG2 LYS 19 -5.796 -9.837 -10.018 132 2HG LYS 19 HG1 LYS 19 -6.266 -11.488 -10.422 133 1HD LYS 19 HD2 LYS 19 -6.824 -10.743 -12.705 134 2HD LYS 19 HD1 LYS 19 -6.279 -9.117 -12.290 135 1HE LYS 19 HE2 LYS 19 -4.585 -10.464 -13.514 136 2HE LYS 19 HE1 LYS 19 -4.038 -9.889 -11.939 137 1HZ LYS 19 HZ1 LYS 19 -4.112 -11.988 -11.049 138 2HZ LYS 19 HZ2 LYS 19 -3.636 -12.338 -12.634 139 3HZ LYS 19 HZ3 LYS 19 -5.246 -12.560 -12.166 140 H GLN 20 HN GLN 20 -9.924 -7.690 -9.410 141 HA GLN 20 HA GLN 20 -8.570 -5.560 -10.639 142 1HB GLN 20 HB2 GLN 20 -11.209 -5.800 -9.220 143 2HB GLN 20 HB1 GLN 20 -10.636 -4.233 -9.771 144 1HG GLN 20 HG2 GLN 20 -10.458 -5.172 -12.063 145 2HG GLN 20 HG1 GLN 20 -11.200 -6.653 -11.461 146 1HE2 GLN 20 HE21 GLN 20 -11.823 -3.186 -11.022 147 2HE2 GLN 20 HE22 GLN 20 -13.498 -3.261 -11.436 148 H ARG 21 HN ARG 21 -9.819 -5.828 -7.329 149 HA ARG 21 HA ARG 21 -8.856 -3.511 -6.225 150 1HB ARG 21 HB2 ARG 21 -9.505 -6.211 -5.198 151 2HB ARG 21 HB1 ARG 21 -8.576 -5.167 -4.134 152 1HG ARG 21 HG2 ARG 21 -10.512 -4.312 -3.476 153 2HG ARG 21 HG1 ARG 21 -10.601 -3.524 -5.050 154 1HD ARG 21 HD2 ARG 21 -11.878 -5.363 -5.943 155 2HD ARG 21 HD1 ARG 21 -11.675 -6.276 -4.446 156 HE ARG 21 HE ARG 21 -12.880 -4.032 -3.590 157 1HH1 ARG 21 HH11 ARG 21 -13.644 -6.265 -6.161 158 2HH1 ARG 21 HH12 ARG 21 -15.346 -5.953 -6.093 159 1HH2 ARG 21 HH21 ARG 21 -15.113 -3.624 -3.497 160 2HH2 ARG 21 HH22 ARG 21 -16.182 -4.455 -4.579 161 H GLN 22 HN GLN 22 -7.208 -6.665 -6.049 162 HA GLN 22 HA GLN 22 -4.801 -5.651 -5.003 163 1HB GLN 22 HB2 GLN 22 -5.687 -8.217 -6.209 164 2HB GLN 22 HB1 GLN 22 -3.954 -7.919 -6.151 165 1HG GLN 22 HG2 GLN 22 -3.954 -7.780 -3.804 166 2HG GLN 22 HG1 GLN 22 -5.710 -7.649 -3.735 167 1HE2 GLN 22 HE21 GLN 22 -5.798 -9.389 -2.292 168 2HE2 GLN 22 HE22 GLN 22 -5.594 -11.020 -2.824 169 H ALA 23 HN ALA 23 -6.078 -5.514 -8.169 170 HA ALA 23 HA ALA 23 -3.640 -5.545 -9.628 171 1HB ALA 23 HB1 ALA 23 -5.993 -5.857 -10.547 172 2HB ALA 23 HB2 ALA 23 -4.882 -4.881 -11.501 173 3HB ALA 23 HB3 ALA 23 -6.119 -4.102 -10.518 174 H LEU 24 HN LEU 24 -5.773 -2.702 -9.318 175 HA LEU 24 HA LEU 24 -3.693 -0.865 -9.778 176 1HB LEU 24 HB2 LEU 24 -6.505 -0.726 -8.885 177 2HB LEU 24 HB1 LEU 24 -5.505 0.651 -8.478 178 HG LEU 24 HG LEU 24 -6.705 1.052 -10.546 179 1HD1 LEU 24 HD11 LEU 24 -4.460 2.002 -10.314 180 2HD1 LEU 24 HD12 LEU 24 -4.852 1.638 -11.993 181 3HD1 LEU 24 HD13 LEU 24 -3.780 0.569 -11.086 182 1HD2 LEU 24 HD21 LEU 24 -5.721 -0.479 -12.512 183 2HD2 LEU 24 HD22 LEU 24 -7.206 -0.856 -11.638 184 3HD2 LEU 24 HD23 LEU 24 -5.693 -1.642 -11.186 185 H GLY 25 HN GLY 25 -4.981 -2.305 -6.830 186 1HA GLY 25 HA2 GLY 25 -3.768 -0.576 -4.973 187 2HA GLY 25 HA1 GLY 25 -4.186 -2.260 -4.666 188 H GLU 26 HN GLU 26 -2.564 -3.340 -6.768 189 HA GLU 26 HA GLU 26 -0.138 -3.697 -5.415 190 1HB GLU 26 HB2 GLU 26 -1.340 -4.573 -7.915 191 2HB GLU 26 HB1 GLU 26 0.387 -4.291 -8.090 192 1HG GLU 26 HG2 GLU 26 -0.502 -5.837 -5.734 193 2HG GLU 26 HG1 GLU 26 -0.621 -6.618 -7.311 194 H GLN 27 HN GLN 27 -1.224 -1.301 -7.690 195 HA GLN 27 HA GLN 27 1.305 -0.383 -8.550 196 1HB GLN 27 HB2 GLN 27 -1.435 0.806 -8.496 197 2HB GLN 27 HB1 GLN 27 -0.062 1.838 -8.851 198 1HG GLN 27 HG2 GLN 27 0.216 -0.474 -10.436 199 2HG GLN 27 HG1 GLN 27 -1.462 0.050 -10.571 200 1HE2 GLN 27 HE21 GLN 27 -0.020 0.151 -12.795 201 2HE2 GLN 27 HE22 GLN 27 0.403 1.775 -13.204 202 H LEU 28 HN LEU 28 -0.651 0.227 -5.721 203 HA LEU 28 HA LEU 28 0.610 2.520 -4.723 204 1HB LEU 28 HB2 LEU 28 -1.479 1.243 -3.867 205 2HB LEU 28 HB1 LEU 28 -0.338 0.272 -2.961 206 HG LEU 28 HG LEU 28 0.466 2.708 -2.162 207 1HD1 LEU 28 HD11 LEU 28 -2.059 3.163 -3.461 208 2HD1 LEU 28 HD12 LEU 28 -0.944 4.322 -2.742 209 3HD1 LEU 28 HD13 LEU 28 -2.169 3.543 -1.745 210 1HD2 LEU 28 HD21 LEU 28 -1.603 2.242 -0.409 211 2HD2 LEU 28 HD22 LEU 28 -0.004 1.498 -0.340 212 3HD2 LEU 28 HD23 LEU 28 -1.333 0.653 -1.131 213 H TYR 29 HN TYR 29 1.430 -0.886 -4.525 214 HA TYR 29 HA TYR 29 3.653 -0.554 -2.756 215 1HB TYR 29 HB2 TYR 29 2.481 -2.665 -2.824 216 2HB TYR 29 HB1 TYR 29 2.812 -2.840 -4.543 217 HD1 TYR 29 HD1 TYR 29 4.331 -4.506 -4.985 218 HD2 TYR 29 HD2 TYR 29 4.883 -2.122 -1.505 219 HE1 TYR 29 HE1 TYR 29 6.383 -5.756 -4.462 220 HE2 TYR 29 HE2 TYR 29 6.940 -3.364 -0.976 221 HH TYR 29 HH TYR 29 7.719 -6.259 -2.251 222 H LYS 30 HN LYS 30 3.389 -1.115 -6.273 223 HA LYS 30 HA LYS 30 6.161 -1.169 -6.758 224 1HB LYS 30 HB2 LYS 30 5.627 -1.037 -9.069 225 2HB LYS 30 HB1 LYS 30 4.348 -1.972 -8.305 226 1HG LYS 30 HG2 LYS 30 2.897 -0.030 -8.313 227 2HG LYS 30 HG1 LYS 30 4.181 0.946 -9.019 228 1HD LYS 30 HD2 LYS 30 3.342 -1.550 -10.413 229 2HD LYS 30 HD1 LYS 30 2.312 -0.121 -10.529 230 1HE LYS 30 HE2 LYS 30 3.640 0.404 -12.269 231 2HE LYS 30 HE1 LYS 30 4.746 0.965 -11.015 232 1HZ LYS 30 HZ1 LYS 30 5.997 -0.414 -12.424 233 2HZ LYS 30 HZ2 LYS 30 4.806 -1.612 -12.472 234 3HZ LYS 30 HZ3 LYS 30 5.688 -1.356 -11.053 235 H LYS 31 HN LYS 31 3.853 1.498 -6.737 236 HA LYS 31 HA LYS 31 5.498 3.454 -7.885 237 1HB LYS 31 HB2 LYS 31 3.001 3.571 -7.415 238 2HB LYS 31 HB1 LYS 31 3.425 3.977 -5.760 239 1HG LYS 31 HG2 LYS 31 4.043 6.081 -6.293 240 2HG LYS 31 HG1 LYS 31 4.704 5.607 -7.858 241 1HD LYS 31 HD2 LYS 31 1.826 5.250 -7.736 242 2HD LYS 31 HD1 LYS 31 2.297 6.916 -7.399 243 1HE LYS 31 HE2 LYS 31 2.577 7.256 -9.575 244 2HE LYS 31 HE1 LYS 31 3.853 6.039 -9.588 245 1HZ LYS 31 HZ1 LYS 31 2.167 4.341 -9.971 246 2HZ LYS 31 HZ2 LYS 31 2.137 5.511 -11.191 247 3HZ LYS 31 HZ3 LYS 31 0.956 5.521 -9.981 248 H VAL 32 HN VAL 32 5.312 2.215 -4.612 249 HA VAL 32 HA VAL 32 7.077 4.259 -3.568 250 HB VAL 32 HB VAL 32 7.050 2.923 -1.486 251 1HG1 VAL 32 HG11 VAL 32 4.850 4.260 -2.726 252 2HG1 VAL 32 HG12 VAL 32 5.322 4.235 -1.028 253 3HG1 VAL 32 HG13 VAL 32 4.249 2.988 -1.666 254 1HG2 VAL 32 HG21 VAL 32 4.993 1.162 -2.765 255 2HG2 VAL 32 HG22 VAL 32 5.805 0.972 -1.215 256 3HG2 VAL 32 HG23 VAL 32 6.697 0.720 -2.703 257 H SER 33 HN SER 33 7.291 0.845 -4.500 258 HA SER 33 HA SER 33 10.074 0.651 -3.831 259 1HB SER 33 HB2 SER 33 8.067 -1.184 -4.255 260 2HB SER 33 HB1 SER 33 9.039 -1.338 -5.720 261 HG SER 33 HG SER 33 9.604 -2.596 -3.677 262 H ALA 34 HN ALA 34 8.739 2.481 -6.097 263 HA ALA 34 HA ALA 34 9.917 1.755 -8.525 264 1HB ALA 34 HB1 ALA 34 8.480 4.001 -7.481 265 2HB ALA 34 HB2 ALA 34 8.643 3.457 -9.151 266 3HB ALA 34 HB3 ALA 34 9.833 4.562 -8.463 267 H LYS 35 HN LYS 35 11.424 2.760 -5.670 268 HA LYS 35 HA LYS 35 13.757 3.806 -7.114 269 1HB LYS 35 HB2 LYS 35 13.267 3.836 -4.137 270 2HB LYS 35 HB1 LYS 35 14.490 4.735 -5.024 271 1HG LYS 35 HG2 LYS 35 11.511 5.144 -5.204 272 2HG LYS 35 HG1 LYS 35 12.656 6.179 -4.349 273 1HD LYS 35 HD2 LYS 35 12.971 5.609 -7.278 274 2HD LYS 35 HD1 LYS 35 11.883 6.876 -6.709 275 1HE LYS 35 HE2 LYS 35 14.095 7.469 -5.288 276 2HE LYS 35 HE1 LYS 35 14.829 6.770 -6.731 277 1HZ LYS 35 HZ1 LYS 35 13.331 8.332 -8.013 278 2HZ LYS 35 HZ2 LYS 35 14.618 9.042 -7.176 279 3HZ LYS 35 HZ3 LYS 35 13.051 9.127 -6.545 280 H THR 36 HN THR 36 12.634 0.942 -5.738 281 HA THR 36 HA THR 36 14.980 -0.481 -6.226 282 HB THR 36 HB THR 36 15.994 0.642 -4.362 283 HG1 THR 36 HG1 THR 36 16.464 -1.553 -4.442 284 1HG2 THR 36 HG21 THR 36 14.398 -0.336 -2.187 285 2HG2 THR 36 HG22 THR 36 13.452 0.719 -3.236 286 3HG2 THR 36 HG23 THR 36 14.958 1.300 -2.528 287 H SER 37 HN SER 37 14.868 -2.740 -5.453 288 HA SER 37 HA SER 37 12.070 -3.584 -5.269 289 1HB SER 37 HB2 SER 37 14.603 -5.014 -6.072 290 2HB SER 37 HB1 SER 37 13.087 -5.870 -5.796 291 HG SER 37 HG SER 37 12.296 -4.085 -7.356 292 H ASN 38 HN ASN 38 13.215 -2.518 -2.965 293 HA ASN 38 HA ASN 38 14.023 -4.673 -1.222 294 1HB ASN 38 HB2 ASN 38 13.736 -1.736 -0.972 295 2HB ASN 38 HB1 ASN 38 13.518 -2.677 0.502 296 1HD2 ASN 38 HD21 ASN 38 15.646 -0.830 -0.143 297 2HD2 ASN 38 HD22 ASN 38 17.117 -1.732 -0.065 298 H GLU 39 HN GLU 39 12.452 -6.163 -0.884 299 HA GLU 39 HA GLU 39 9.711 -5.719 -0.810 300 1HB GLU 39 HB2 GLU 39 11.508 -7.893 -0.186 301 2HB GLU 39 HB1 GLU 39 10.182 -7.840 0.968 302 1HG GLU 39 HG2 GLU 39 9.423 -9.247 -0.725 303 2HG GLU 39 HG1 GLU 39 8.645 -7.701 -1.064 304 H GLU 40 HN GLU 40 12.112 -5.296 1.676 305 HA GLU 40 HA GLU 40 10.137 -4.943 3.764 306 1HB GLU 40 HB2 GLU 40 13.095 -5.042 3.619 307 2HB GLU 40 HB1 GLU 40 12.400 -4.086 4.921 308 1HG GLU 40 HG2 GLU 40 12.397 -6.025 6.033 309 2HG GLU 40 HG1 GLU 40 10.927 -6.343 5.113 310 H ALA 41 HN ALA 41 11.667 -3.035 1.399 311 HA ALA 41 HA ALA 41 11.513 -0.515 2.771 312 1HB ALA 41 HB1 ALA 41 12.090 0.418 0.570 313 2HB ALA 41 HB2 ALA 41 11.929 -1.183 -0.135 314 3HB ALA 41 HB3 ALA 41 13.186 -0.868 1.058 315 H ALA 42 HN ALA 42 9.957 -1.630 -0.213 316 HA ALA 42 HA ALA 42 7.956 0.364 -0.136 317 1HB ALA 42 HB1 ALA 42 6.900 -1.120 -1.940 318 2HB ALA 42 HB2 ALA 42 8.359 -2.101 -1.792 319 3HB ALA 42 HB3 ALA 42 8.479 -0.404 -2.266 320 H GLY 43 HN GLY 43 8.052 -2.996 0.956 321 1HA GLY 43 HA2 GLY 43 5.271 -3.271 1.383 322 2HA GLY 43 HA1 GLY 43 6.531 -4.211 2.172 323 H LYS 44 HN LYS 44 7.838 -1.801 3.235 324 HA LYS 44 HA LYS 44 6.379 -1.637 5.687 325 1HB LYS 44 HB2 LYS 44 9.010 -1.056 4.806 326 2HB LYS 44 HB1 LYS 44 8.368 0.417 5.508 327 1HG LYS 44 HG2 LYS 44 8.312 -2.250 6.895 328 2HG LYS 44 HG1 LYS 44 9.596 -1.058 7.100 329 1HD LYS 44 HD2 LYS 44 8.349 0.200 8.472 330 2HD LYS 44 HD1 LYS 44 6.928 0.071 7.438 331 1HE LYS 44 HE2 LYS 44 7.746 -2.315 9.009 332 2HE LYS 44 HE1 LYS 44 7.001 -0.972 9.874 333 1HZ LYS 44 HZ1 LYS 44 5.803 -2.277 7.493 334 2HZ LYS 44 HZ2 LYS 44 5.076 -1.128 8.499 335 3HZ LYS 44 HZ3 LYS 44 5.409 -2.678 9.089 336 H ILE 45 HN ILE 45 7.529 1.045 3.643 337 HA ILE 45 HA ILE 45 5.845 2.955 4.715 338 HB ILE 45 HB ILE 45 6.323 4.350 2.834 339 1HG1 ILE 45 HG12 ILE 45 7.437 1.893 1.478 340 2HG1 ILE 45 HG11 ILE 45 5.978 2.765 1.007 341 1HG2 ILE 45 HG21 ILE 45 8.887 2.898 3.055 342 2HG2 ILE 45 HG22 ILE 45 8.135 3.438 4.557 343 3HG2 ILE 45 HG23 ILE 45 8.527 4.607 3.296 344 1HD1 ILE 45 HD11 ILE 45 8.337 4.465 1.191 345 2HD1 ILE 45 HD12 ILE 45 7.134 4.328 -0.088 346 3HD1 ILE 45 HD13 ILE 45 8.476 3.183 -0.013 347 H THR 46 HN THR 46 5.203 0.688 2.118 348 HA THR 46 HA THR 46 2.811 1.862 1.178 349 HB THR 46 HB THR 46 3.601 -1.062 1.216 350 HG1 THR 46 HG1 THR 46 5.031 0.054 -0.016 351 1HG2 THR 46 HG21 THR 46 1.651 -1.561 0.307 352 2HG2 THR 46 HG22 THR 46 1.991 -0.440 -1.013 353 3HG2 THR 46 HG23 THR 46 1.143 0.124 0.428 354 H GLY 47 HN GLY 47 3.567 -0.152 3.938 355 1HA GLY 47 HA2 GLY 47 0.968 -0.978 4.608 356 2HA GLY 47 HA1 GLY 47 2.308 -0.807 5.734 357 H MET 48 HN MET 48 2.662 2.036 5.088 358 HA MET 48 HA MET 48 0.786 3.090 6.980 359 1HB MET 48 HB2 MET 48 3.019 4.274 5.350 360 2HB MET 48 HB1 MET 48 1.931 5.300 6.275 361 1HG MET 48 HG2 MET 48 3.572 5.016 7.811 362 2HG MET 48 HG1 MET 48 2.558 3.632 8.210 363 1HE MET 48 HE1 MET 48 6.711 3.675 6.365 364 2HE MET 48 HE2 MET 48 6.231 4.547 7.822 365 3HE MET 48 HE3 MET 48 5.510 4.963 6.269 366 H ILE 49 HN ILE 49 1.303 3.342 3.487 367 HA ILE 49 HA ILE 49 -0.947 5.101 3.106 368 HB ILE 49 HB ILE 49 0.538 3.516 1.005 369 1HG1 ILE 49 HG12 ILE 49 1.175 6.372 1.358 370 2HG1 ILE 49 HG11 ILE 49 1.716 5.329 2.668 371 1HG2 ILE 49 HG21 ILE 49 -1.098 6.042 0.812 372 2HG2 ILE 49 HG22 ILE 49 -1.590 4.443 0.256 373 3HG2 ILE 49 HG23 ILE 49 -0.237 5.267 -0.516 374 1HD1 ILE 49 HD11 ILE 49 2.524 3.923 0.491 375 2HD1 ILE 49 HD12 ILE 49 3.529 5.053 1.399 376 3HD1 ILE 49 HD13 ILE 49 2.704 5.587 -0.065 377 H LEU 50 HN LEU 50 -0.840 2.035 4.055 378 HA LEU 50 HA LEU 50 -2.711 0.770 2.286 379 1HB LEU 50 HB2 LEU 50 -0.981 -0.047 4.322 380 2HB LEU 50 HB1 LEU 50 -2.585 -0.376 4.947 381 HG LEU 50 HG LEU 50 -1.587 -2.318 3.808 382 1HD1 LEU 50 HD11 LEU 50 -3.573 -2.338 1.965 383 2HD1 LEU 50 HD12 LEU 50 -4.138 -1.081 3.062 384 3HD1 LEU 50 HD13 LEU 50 -3.795 -2.696 3.677 385 1HD2 LEU 50 HD21 LEU 50 -1.982 -1.252 1.117 386 2HD2 LEU 50 HD22 LEU 50 -0.682 -2.251 1.765 387 3HD2 LEU 50 HD23 LEU 50 -0.649 -0.503 1.996 388 H ASP 51 HN ASP 51 -3.245 3.360 4.011 389 HA ASP 51 HA ASP 51 -5.573 2.562 5.512 390 1HB ASP 51 HB2 ASP 51 -5.749 4.913 6.116 391 2HB ASP 51 HB1 ASP 51 -4.086 4.371 6.319 392 H LEU 52 HN LEU 52 -4.858 3.593 2.301 393 HA LEU 52 HA LEU 52 -7.467 4.681 1.755 394 1HB LEU 52 HB2 LEU 52 -5.219 3.815 -0.061 395 2HB LEU 52 HB1 LEU 52 -6.707 4.536 -0.636 396 HG LEU 52 HG LEU 52 -5.171 6.293 -0.634 397 1HD1 LEU 52 HD11 LEU 52 -5.814 7.705 1.418 398 2HD1 LEU 52 HD12 LEU 52 -6.881 6.363 1.821 399 3HD1 LEU 52 HD13 LEU 52 -7.082 7.218 0.294 400 1HD2 LEU 52 HD21 LEU 52 -3.486 5.022 0.740 401 2HD2 LEU 52 HD22 LEU 52 -4.305 5.650 2.170 402 3HD2 LEU 52 HD23 LEU 52 -3.560 6.761 1.022 403 HA PRO 53 HA PRO 53 -9.664 0.845 1.323 404 1HB PRO 53 HB2 PRO 53 -11.165 2.308 -0.790 405 2HB PRO 53 HB1 PRO 53 -11.770 1.434 0.621 406 1HG PRO 53 HG2 PRO 53 -11.741 4.102 0.570 407 2HG PRO 53 HG1 PRO 53 -11.384 3.206 2.056 408 1HD PRO 53 HD2 PRO 53 -9.524 4.619 0.202 409 2HD PRO 53 HD1 PRO 53 -9.447 4.443 1.967 410 HA PRO 54 HA PRO 54 -8.108 -1.294 -2.199 411 1HB PRO 54 HB2 PRO 54 -10.815 -2.152 -3.033 412 2HB PRO 54 HB1 PRO 54 -9.409 -3.122 -2.580 413 1HG PRO 54 HG2 PRO 54 -11.506 -2.890 -0.940 414 2HG PRO 54 HG1 PRO 54 -9.846 -2.945 -0.314 415 1HD PRO 54 HD2 PRO 54 -11.658 -0.589 -0.681 416 2HD PRO 54 HD1 PRO 54 -10.546 -0.959 0.654 417 H GLN 55 HN GLN 55 -11.303 -0.215 -3.367 418 HA GLN 55 HA GLN 55 -10.207 0.451 -5.941 419 1HB GLN 55 HB2 GLN 55 -12.931 1.283 -4.984 420 2HB GLN 55 HB1 GLN 55 -12.400 0.951 -6.626 421 1HG GLN 55 HG2 GLN 55 -12.021 -1.456 -5.755 422 2HG GLN 55 HG1 GLN 55 -13.089 -0.963 -4.442 423 1HE2 GLN 55 HE21 GLN 55 -12.865 -1.962 -7.687 424 2HE2 GLN 55 HE22 GLN 55 -14.545 -1.882 -8.075 425 H GLU 56 HN GLU 56 -11.269 2.243 -3.100 426 HA GLU 56 HA GLU 56 -11.161 4.819 -4.225 427 1HB GLU 56 HB2 GLU 56 -12.274 4.191 -2.069 428 2HB GLU 56 HB1 GLU 56 -10.679 4.116 -1.334 429 1HG GLU 56 HG2 GLU 56 -10.459 6.354 -1.253 430 2HG GLU 56 HG1 GLU 56 -11.321 6.605 -2.769 431 H VAL 57 HN VAL 57 -8.628 2.686 -3.382 432 HA VAL 57 HA VAL 57 -6.701 4.824 -2.957 433 HB VAL 57 HB VAL 57 -6.502 2.705 -1.675 434 1HG1 VAL 57 HG11 VAL 57 -6.977 0.882 -2.934 435 2HG1 VAL 57 HG12 VAL 57 -5.234 0.892 -3.163 436 3HG1 VAL 57 HG13 VAL 57 -6.289 1.569 -4.400 437 1HG2 VAL 57 HG21 VAL 57 -4.051 2.934 -3.362 438 2HG2 VAL 57 HG22 VAL 57 -4.198 2.756 -1.616 439 3HG2 VAL 57 HG23 VAL 57 -4.571 4.301 -2.380 440 H PHE 58 HN PHE 58 -7.833 2.748 -5.478 441 HA PHE 58 HA PHE 58 -5.815 2.606 -7.292 442 1HB PHE 58 HB2 PHE 58 -8.741 3.153 -7.770 443 2HB PHE 58 HB1 PHE 58 -7.610 2.887 -9.084 444 HD1 PHE 58 HD1 PHE 58 -9.332 1.100 -9.612 445 HD2 PHE 58 HD2 PHE 58 -6.779 0.946 -6.212 446 HE1 PHE 58 HE1 PHE 58 -9.717 -1.318 -9.447 447 HE2 PHE 58 HE2 PHE 58 -7.163 -1.483 -6.034 448 HZ PHE 58 HZ PHE 58 -8.633 -2.612 -7.664 449 HA PRO 59 HA PRO 59 -6.920 7.082 -9.008 450 1HB PRO 59 HB2 PRO 59 -7.917 8.283 -6.484 451 2HB PRO 59 HB1 PRO 59 -8.469 8.531 -8.143 452 1HG PRO 59 HG2 PRO 59 -9.904 7.078 -6.430 453 2HG PRO 59 HG1 PRO 59 -9.773 6.616 -8.137 454 1HD PRO 59 HD2 PRO 59 -8.401 5.461 -5.748 455 2HD PRO 59 HD1 PRO 59 -9.050 4.645 -7.182 456 H LEU 60 HN LEU 60 -6.025 6.655 -5.616 457 HA LEU 60 HA LEU 60 -4.149 8.794 -5.558 458 1HB LEU 60 HB2 LEU 60 -5.022 8.142 -3.479 459 2HB LEU 60 HB1 LEU 60 -4.722 6.442 -3.784 460 HG LEU 60 HG LEU 60 -2.193 7.689 -3.807 461 1HD1 LEU 60 HD11 LEU 60 -2.584 9.555 -2.631 462 2HD1 LEU 60 HD12 LEU 60 -2.483 8.444 -1.268 463 3HD1 LEU 60 HD13 LEU 60 -4.056 8.926 -1.899 464 1HD2 LEU 60 HD21 LEU 60 -3.399 6.179 -1.509 465 2HD2 LEU 60 HD22 LEU 60 -1.717 6.214 -2.034 466 3HD2 LEU 60 HD23 LEU 60 -2.930 5.392 -3.015 467 H LEU 61 HN LEU 61 -3.761 5.266 -5.721 468 HA LEU 61 HA LEU 61 -0.970 5.303 -5.962 469 1HB LEU 61 HB2 LEU 61 -1.302 2.963 -6.899 470 2HB LEU 61 HB1 LEU 61 -1.896 3.275 -5.282 471 HG LEU 61 HG LEU 61 -4.145 3.774 -6.655 472 1HD1 LEU 61 HD11 LEU 61 -3.975 3.195 -8.785 473 2HD1 LEU 61 HD12 LEU 61 -3.871 1.526 -8.240 474 3HD1 LEU 61 HD13 LEU 61 -2.399 2.451 -8.534 475 1HD2 LEU 61 HD21 LEU 61 -4.368 1.087 -6.378 476 2HD2 LEU 61 HD22 LEU 61 -4.550 2.246 -5.065 477 3HD2 LEU 61 HD23 LEU 61 -3.006 1.430 -5.312 478 H GLU 62 HN GLU 62 -3.315 6.192 -8.267 479 HA GLU 62 HA GLU 62 -1.486 5.605 -10.487 480 1HB GLU 62 HB2 GLU 62 -3.344 5.881 -11.976 481 2HB GLU 62 HB1 GLU 62 -3.848 4.820 -10.669 482 1HG GLU 62 HG2 GLU 62 -5.151 6.509 -9.668 483 2HG GLU 62 HG1 GLU 62 -4.426 7.764 -10.670 484 H SER 63 HN SER 63 -2.508 8.138 -8.491 485 HA SER 63 HA SER 63 -1.758 10.162 -10.481 486 1HB SER 63 HB2 SER 63 -3.951 10.455 -9.380 487 2HB SER 63 HB1 SER 63 -3.144 10.516 -7.813 488 HG SER 63 HG SER 63 -1.935 12.346 -8.788 489 H ASP 64 HN ASP 64 0.263 10.868 -10.408 490 HA ASP 64 HA ASP 64 2.147 10.218 -8.476 491 1HB ASP 64 HB2 ASP 64 2.511 11.127 -10.846 492 2HB ASP 64 HB1 ASP 64 2.313 12.727 -10.137 493 H GLU 65 HN GLU 65 0.552 13.380 -8.926 494 HA GLU 65 HA GLU 65 1.623 14.658 -6.709 495 1HB GLU 65 HB2 GLU 65 -0.425 15.164 -8.627 496 2HB GLU 65 HB1 GLU 65 -1.058 15.560 -7.034 497 1HG GLU 65 HG2 GLU 65 1.319 16.757 -6.851 498 2HG GLU 65 HG1 GLU 65 1.095 16.836 -8.598 499 H LEU 66 HN LEU 66 -1.496 12.951 -6.925 500 HA LEU 66 HA LEU 66 -2.270 13.242 -4.259 501 1HB LEU 66 HB2 LEU 66 -3.268 11.994 -6.531 502 2HB LEU 66 HB1 LEU 66 -3.029 10.673 -5.405 503 HG LEU 66 HG LEU 66 -5.316 11.611 -5.349 504 1HD1 LEU 66 HD11 LEU 66 -3.937 12.168 -2.745 505 2HD1 LEU 66 HD12 LEU 66 -4.121 10.532 -3.379 506 3HD1 LEU 66 HD13 LEU 66 -5.548 11.507 -3.024 507 1HD2 LEU 66 HD21 LEU 66 -3.799 14.100 -4.821 508 2HD2 LEU 66 HD22 LEU 66 -5.298 13.864 -3.924 509 3HD2 LEU 66 HD23 LEU 66 -5.313 13.853 -5.687 510 H PHE 67 HN PHE 67 -0.091 11.000 -5.786 511 HA PHE 67 HA PHE 67 0.108 9.206 -3.568 512 1HB PHE 67 HB2 PHE 67 0.704 8.867 -6.117 513 2HB PHE 67 HB1 PHE 67 2.290 9.433 -5.596 514 HD1 PHE 67 HD1 PHE 67 3.758 8.020 -4.407 515 HD2 PHE 67 HD2 PHE 67 -0.283 6.852 -5.047 516 HE1 PHE 67 HE1 PHE 67 4.284 5.768 -3.589 517 HE2 PHE 67 HE2 PHE 67 0.240 4.590 -4.232 518 HZ PHE 67 HZ PHE 67 2.526 4.046 -3.495 519 H GLU 68 HN GLU 68 2.288 11.694 -4.889 520 HA GLU 68 HA GLU 68 4.404 11.541 -3.201 521 1HB GLU 68 HB2 GLU 68 3.025 13.976 -4.322 522 2HB GLU 68 HB1 GLU 68 4.523 14.088 -3.406 523 1HG GLU 68 HG2 GLU 68 5.207 12.199 -5.194 524 2HG GLU 68 HG1 GLU 68 4.040 13.118 -6.142 525 H GLN 69 HN GLN 69 1.342 13.213 -2.485 526 HA GLN 69 HA GLN 69 2.078 14.214 0.027 527 1HB GLN 69 HB2 GLN 69 -0.112 14.469 -1.552 528 2HB GLN 69 HB1 GLN 69 -0.742 13.428 -0.281 529 1HG GLN 69 HG2 GLN 69 0.558 15.311 1.175 530 2HG GLN 69 HG1 GLN 69 0.015 16.257 -0.209 531 1HE2 GLN 69 HE21 GLN 69 -2.339 15.728 -0.831 532 2HE2 GLN 69 HE22 GLN 69 -3.460 15.697 0.484 533 H HIS 70 HN HIS 70 0.048 11.375 -0.657 534 HA HIS 70 HA HIS 70 0.009 10.458 2.005 535 1HB HIS 70 HB2 HIS 70 -0.805 9.396 -0.614 536 2HB HIS 70 HB1 HIS 70 -0.365 8.160 0.561 537 HD2 HIS 70 HD2 HIS 70 -3.261 10.555 -0.228 538 HE1 HIS 70 HE1 HIS 70 -4.150 8.674 3.471 539 HE2 HIS 70 HE2 HIS 70 -5.033 10.123 1.610 540 H TYR 71 HN TYR 71 1.970 9.398 -0.766 541 HA TYR 71 HA TYR 71 3.525 7.555 0.709 542 1HB TYR 71 HB2 TYR 71 3.592 7.096 -1.542 543 2HB TYR 71 HB1 TYR 71 3.645 8.792 -1.998 544 HD1 TYR 71 HD1 TYR 71 5.625 9.683 -2.776 545 HD2 TYR 71 HD2 TYR 71 5.761 6.168 -0.384 546 HE1 TYR 71 HE1 TYR 71 8.039 9.512 -3.185 547 HE2 TYR 71 HE2 TYR 71 8.182 5.987 -0.778 548 HH TYR 71 HH TYR 71 10.016 7.092 -1.555 549 H LYS 72 HN LYS 72 3.542 10.945 0.740 550 HA LYS 72 HA LYS 72 6.313 11.447 1.048 551 1HB LYS 72 HB2 LYS 72 3.948 12.996 1.067 552 2HB LYS 72 HB1 LYS 72 4.739 13.290 2.607 553 1HG LYS 72 HG2 LYS 72 6.813 13.860 1.407 554 2HG LYS 72 HG1 LYS 72 5.962 13.639 -0.122 555 1HD LYS 72 HD2 LYS 72 5.259 15.648 2.018 556 2HD LYS 72 HD1 LYS 72 6.079 16.000 0.496 557 1HE LYS 72 HE2 LYS 72 3.918 14.751 -0.459 558 2HE LYS 72 HE1 LYS 72 3.234 15.394 1.033 559 1HZ LYS 72 HZ1 LYS 72 3.076 16.836 -1.024 560 2HZ LYS 72 HZ2 LYS 72 4.738 17.101 -0.857 561 3HZ LYS 72 HZ3 LYS 72 3.678 17.578 0.373 562 H GLU 73 HN GLU 73 3.749 11.370 3.520 563 HA GLU 73 HA GLU 73 5.350 11.449 5.766 564 1HB GLU 73 HB2 GLU 73 2.647 11.131 5.253 565 2HB GLU 73 HB1 GLU 73 3.077 9.641 6.080 566 1HG GLU 73 HG2 GLU 73 3.736 10.762 8.013 567 2HG GLU 73 HG1 GLU 73 3.860 12.311 7.180 568 H ALA 74 HN ALA 74 4.477 8.692 3.752 569 HA ALA 74 HA ALA 74 5.612 6.727 5.469 570 1HB ALA 74 HB1 ALA 74 5.448 6.076 2.617 571 2HB ALA 74 HB2 ALA 74 3.940 6.643 3.329 572 3HB ALA 74 HB3 ALA 74 4.767 5.245 4.011 573 H SER 75 HN SER 75 6.834 8.763 2.919 574 HA SER 75 HA SER 75 9.176 7.348 2.297 575 1HB SER 75 HB2 SER 75 8.509 9.112 0.841 576 2HB SER 75 HB1 SER 75 8.532 10.293 2.152 577 HG SER 75 HG SER 75 10.741 10.195 2.192 578 H ALA 76 HN ALA 76 8.681 10.038 4.588 579 HA ALA 76 HA ALA 76 11.230 10.235 5.613 580 1HB ALA 76 HB1 ALA 76 9.436 11.756 6.239 581 2HB ALA 76 HB2 ALA 76 10.222 11.091 7.671 582 3HB ALA 76 HB3 ALA 76 8.651 10.473 7.160 583 H ALA 77 HN ALA 77 8.733 7.881 6.403 584 HA ALA 77 HA ALA 77 10.293 6.611 8.484 585 1HB ALA 77 HB1 ALA 77 8.510 5.031 8.638 586 2HB ALA 77 HB2 ALA 77 7.864 5.528 7.077 587 3HB ALA 77 HB3 ALA 77 7.796 6.632 8.450 588 H TYR 78 HN TYR 78 10.110 6.484 5.108 589 HA TYR 78 HA TYR 78 10.775 3.851 4.471 590 1HB TYR 78 HB2 TYR 78 10.190 5.860 2.939 591 2HB TYR 78 HB1 TYR 78 11.906 6.237 3.013 592 HD1 TYR 78 HD1 TYR 78 9.994 5.373 0.636 593 HD2 TYR 78 HD2 TYR 78 12.928 3.363 2.972 594 HE1 TYR 78 HE1 TYR 78 10.400 3.818 -1.227 595 HE2 TYR 78 HE2 TYR 78 13.343 1.808 1.130 596 HH TYR 78 HH TYR 78 11.496 1.144 -1.178 597 H GLU 79 HN GLU 79 12.876 6.650 5.021 598 HA GLU 79 HA GLU 79 15.323 5.282 4.796 599 1HB GLU 79 HB2 GLU 79 14.414 7.934 5.448 600 2HB GLU 79 HB1 GLU 79 15.709 7.459 6.538 601 1HG GLU 79 HG2 GLU 79 17.229 7.163 4.784 602 2HG GLU 79 HG1 GLU 79 15.951 7.148 3.568 603 H SER 80 HN SER 80 13.535 6.310 7.703 604 HA SER 80 HA SER 80 15.285 5.273 9.584 605 1HB SER 80 HB2 SER 80 12.840 6.593 9.641 606 2HB SER 80 HB1 SER 80 12.503 5.045 10.418 607 HG SER 80 HG SER 80 14.410 7.002 11.144 608 H PHE 81 HN PHE 81 12.489 3.757 8.028 609 HA PHE 81 HA PHE 81 12.665 1.323 9.453 610 1HB PHE 81 HB2 PHE 81 11.265 2.217 6.965 611 2HB PHE 81 HB1 PHE 81 11.311 0.501 7.370 612 HD1 PHE 81 HD1 PHE 81 9.158 3.007 7.402 613 HD2 PHE 81 HD2 PHE 81 11.032 0.427 10.211 614 HE1 PHE 81 HE1 PHE 81 7.270 3.327 8.953 615 HE2 PHE 81 HE2 PHE 81 9.152 0.741 11.769 616 HZ PHE 81 HZ PHE 81 7.267 2.194 11.140 617 H LYS 82 HN LYS 82 13.772 2.272 6.212 618 HA LYS 82 HA LYS 82 14.882 -0.227 5.555 619 1HB LYS 82 HB2 LYS 82 15.011 2.510 4.471 620 2HB LYS 82 HB1 LYS 82 16.376 1.475 4.080 621 1HG LYS 82 HG2 LYS 82 13.718 0.270 3.724 622 2HG LYS 82 HG1 LYS 82 14.127 1.597 2.638 623 1HD LYS 82 HD2 LYS 82 14.873 -0.334 1.528 624 2HD LYS 82 HD1 LYS 82 16.326 0.375 2.231 625 1HE LYS 82 HE2 LYS 82 15.647 -1.220 4.247 626 2HE LYS 82 HE1 LYS 82 14.885 -2.123 2.941 627 1HZ LYS 82 HZ1 LYS 82 17.472 -1.389 2.135 628 2HZ LYS 82 HZ2 LYS 82 16.855 -2.942 2.404 629 3HZ LYS 82 HZ3 LYS 82 17.579 -2.089 3.672 630 H LYS 83 HN LYS 83 16.153 2.579 7.232 631 HA LYS 83 HA LYS 83 18.852 1.593 7.270 632 1HB LYS 83 HB2 LYS 83 17.490 3.908 8.638 633 2HB LYS 83 HB1 LYS 83 19.181 3.509 8.909 634 1HG LYS 83 HG2 LYS 83 17.941 4.227 6.260 635 2HG LYS 83 HG1 LYS 83 18.941 5.281 7.261 636 1HD LYS 83 HD2 LYS 83 20.792 4.441 6.363 637 2HD LYS 83 HD1 LYS 83 20.314 2.807 6.826 638 1HE LYS 83 HE2 LYS 83 18.698 3.268 4.681 639 2HE LYS 83 HE1 LYS 83 20.148 4.163 4.228 640 1HZ LYS 83 HZ1 LYS 83 21.307 2.287 3.933 641 2HZ LYS 83 HZ2 LYS 83 19.798 1.532 3.832 642 3HZ LYS 83 HZ3 LYS 83 20.650 1.523 5.292 643 H GLU 84 HN GLU 84 16.345 2.057 9.781 644 HA GLU 84 HA GLU 84 17.922 0.541 11.678 645 1HB GLU 84 HB2 GLU 84 15.536 2.248 11.786 646 2HB GLU 84 HB1 GLU 84 15.469 0.865 12.865 647 1HG GLU 84 HG2 GLU 84 17.796 1.594 13.634 648 2HG GLU 84 HG1 GLU 84 17.435 3.120 12.829 649 H GLN 85 HN GLN 85 17.279 -0.971 9.405 650 HA GLN 85 HA GLN 85 15.029 -2.660 9.965 651 1HB GLN 85 HB2 GLN 85 16.784 -2.201 7.774 652 2HB GLN 85 HB1 GLN 85 16.889 -3.908 8.182 653 1HG GLN 85 HG2 GLN 85 14.159 -3.263 8.231 654 2HG GLN 85 HG1 GLN 85 14.826 -2.494 6.792 655 1HE2 GLN 85 HE21 GLN 85 13.836 -5.405 8.235 656 2HE2 GLN 85 HE22 GLN 85 14.266 -6.469 6.945 657 H GLU 86 HN GLU 86 15.042 -4.094 11.564 658 HA GLU 86 HA GLU 86 17.454 -4.974 12.809 659 1HB GLU 86 HB2 GLU 86 14.926 -4.697 13.679 660 2HB GLU 86 HB1 GLU 86 14.928 -6.424 13.345 661 1HG GLU 86 HG2 GLU 86 16.970 -6.613 14.769 662 2HG GLU 86 HG1 GLU 86 16.742 -4.922 15.213 663 H GLN 87 HN GLN 87 16.399 -5.850 9.906 664 HA GLN 87 HA GLN 87 16.800 -8.727 10.231 665 1HB GLN 87 HB2 GLN 87 15.968 -7.147 7.792 666 2HB GLN 87 HB1 GLN 87 16.030 -8.900 7.909 667 1HG GLN 87 HG2 GLN 87 14.201 -7.049 9.416 668 2HG GLN 87 HG1 GLN 87 13.759 -8.171 8.129 669 1HE2 GLN 87 HE21 GLN 87 12.737 -8.008 10.834 670 2HE2 GLN 87 HE22 GLN 87 13.051 -9.539 11.572 671 H GLN 88 HN GLN 88 17.898 -6.191 7.964 672 HA GLN 88 HA GLN 88 20.195 -7.729 7.188 673 1HB GLN 88 HB2 GLN 88 18.874 -5.274 6.334 674 2HB GLN 88 HB1 GLN 88 20.627 -5.138 6.299 675 1HG GLN 88 HG2 GLN 88 20.844 -6.590 4.593 676 2HG GLN 88 HG1 GLN 88 19.503 -7.597 5.133 677 1HE2 GLN 88 HE21 GLN 88 20.465 -5.848 2.642 678 2HE2 GLN 88 HE22 GLN 88 18.957 -5.241 2.055 679 H THR 89 HN THR 89 22.411 -6.891 7.324 680 HA THR 89 HA THR 89 22.882 -5.591 9.924 681 HB THR 89 HB THR 89 23.759 -7.805 9.973 682 HG1 THR 89 HG1 THR 89 26.048 -7.361 10.057 683 1HG2 THR 89 HG21 THR 89 24.582 -7.246 7.205 684 2HG2 THR 89 HG22 THR 89 24.058 -8.752 7.957 685 3HG2 THR 89 HG23 THR 89 25.712 -8.186 8.181 686 H GLU 90 HN GLU 90 22.565 -3.555 8.671 687 HA GLU 90 HA GLU 90 24.573 -2.811 6.758 688 1HB GLU 90 HB2 GLU 90 22.134 -1.637 7.876 689 2HB GLU 90 HB1 GLU 90 23.402 -0.456 7.583 690 1HG GLU 90 HG2 GLU 90 23.257 -0.648 5.345 691 2HG GLU 90 HG1 GLU 90 22.907 -2.375 5.406 692 H GLN 91 HN GLN 91 26.025 -0.969 7.051 693 HA GLN 91 HA GLN 91 27.300 -1.088 9.671 694 1HB GLN 91 HB2 GLN 91 28.649 -1.412 7.619 695 2HB GLN 91 HB1 GLN 91 28.243 0.221 7.113 696 1HG GLN 91 HG2 GLN 91 29.789 1.136 8.426 697 2HG GLN 91 HG1 GLN 91 29.379 0.099 9.791 698 1HE2 GLN 91 HE21 GLN 91 30.486 -0.765 6.545 699 2HE2 GLN 91 HE22 GLN 91 31.925 -1.571 7.060 700 H ALA 92 HN ALA 92 27.908 0.793 10.841 701 HA ALA 92 HA ALA 92 25.982 2.961 10.575 702 1HB ALA 92 HB1 ALA 92 27.744 3.407 12.753 703 2HB ALA 92 HB2 ALA 92 27.311 1.698 12.748 704 3HB ALA 92 HB3 ALA 92 26.046 2.928 12.794 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -28.079 -35.836 -17.611 2 2H GLY 1 HT2 GLY 1 -26.864 -36.786 -16.917 3 3H GLY 1 HT3 GLY 1 -28.464 -36.939 -16.387 4 1HA GLY 1 HA1 GLY 1 -27.348 -38.598 -18.132 5 2HA GLY 1 HA2 GLY 1 -29.072 -38.262 -18.076 6 HA PRO 2 HA PRO 2 -29.247 -36.576 -22.131 7 1HB PRO 2 HB2 PRO 2 -29.817 -33.844 -21.108 8 2HB PRO 2 HB1 PRO 2 -30.746 -34.842 -22.231 9 1HG PRO 2 HG2 PRO 2 -31.569 -34.496 -19.723 10 2HG PRO 2 HG1 PRO 2 -31.738 -36.067 -20.528 11 1HD PRO 2 HD2 PRO 2 -29.741 -35.188 -18.485 12 2HD PRO 2 HD1 PRO 2 -30.558 -36.753 -18.663 13 H LEU 3 HN LEU 3 -27.667 -36.047 -23.503 14 HA LEU 3 HA LEU 3 -25.356 -34.594 -22.550 15 1HB LEU 3 HB2 LEU 3 -24.495 -35.043 -24.885 16 2HB LEU 3 HB1 LEU 3 -24.816 -36.449 -23.890 17 HG LEU 3 HG LEU 3 -27.193 -36.046 -25.301 18 1HD1 LEU 3 HD11 LEU 3 -26.186 -36.182 -27.677 19 2HD1 LEU 3 HD12 LEU 3 -24.798 -35.365 -26.956 20 3HD1 LEU 3 HD13 LEU 3 -26.388 -34.601 -26.921 21 1HD2 LEU 3 HD21 LEU 3 -26.879 -38.207 -25.868 22 2HD2 LEU 3 HD22 LEU 3 -25.545 -38.101 -24.718 23 3HD2 LEU 3 HD23 LEU 3 -25.236 -37.926 -26.446 24 H GLY 4 HN GLY 4 -25.883 -32.459 -22.298 25 1HA GLY 4 HA2 GLY 4 -27.243 -31.040 -24.447 26 2HA GLY 4 HA1 GLY 4 -26.790 -30.378 -22.884 27 H SER 5 HN SER 5 -26.380 -29.506 -25.765 28 HA SER 5 HA SER 5 -23.499 -29.532 -26.034 29 1HB SER 5 HB2 SER 5 -24.689 -29.730 -28.086 30 2HB SER 5 HB1 SER 5 -25.701 -28.337 -27.719 31 HG SER 5 HG SER 5 -23.897 -27.011 -27.955 32 HA PRO 6 HA PRO 6 -24.055 -24.749 -25.426 33 1HB PRO 6 HB2 PRO 6 -26.442 -23.968 -24.312 34 2HB PRO 6 HB1 PRO 6 -26.100 -23.937 -26.045 35 1HG PRO 6 HG2 PRO 6 -27.577 -25.984 -24.440 36 2HG PRO 6 HG1 PRO 6 -27.963 -25.321 -26.039 37 1HD PRO 6 HD2 PRO 6 -26.829 -27.733 -25.751 38 2HD PRO 6 HD1 PRO 6 -26.418 -26.669 -27.110 39 H ARG 7 HN ARG 7 -22.923 -24.205 -23.682 40 HA ARG 7 HA ARG 7 -23.353 -25.610 -21.185 41 1HB ARG 7 HB2 ARG 7 -21.128 -24.478 -22.498 42 2HB ARG 7 HB1 ARG 7 -21.340 -23.561 -21.013 43 1HG ARG 7 HG2 ARG 7 -21.121 -25.494 -19.674 44 2HG ARG 7 HG1 ARG 7 -21.260 -26.563 -21.072 45 1HD ARG 7 HD2 ARG 7 -19.049 -24.559 -20.950 46 2HD ARG 7 HD1 ARG 7 -18.922 -26.052 -20.025 47 HE ARG 7 HE ARG 7 -19.039 -27.273 -22.095 48 1HH1 ARG 7 HH11 ARG 7 -18.541 -23.826 -22.432 49 2HH1 ARG 7 HH12 ARG 7 -17.884 -23.958 -24.026 50 1HH2 ARG 7 HH21 ARG 7 -18.183 -27.436 -24.188 51 2HH2 ARG 7 HH22 ARG 7 -17.680 -26.006 -25.025 52 H ASN 8 HN ASN 8 -24.951 -24.871 -19.940 53 HA ASN 8 HA ASN 8 -25.662 -22.079 -19.868 54 1HB ASN 8 HB2 ASN 8 -26.950 -24.520 -19.255 55 2HB ASN 8 HB1 ASN 8 -26.893 -23.601 -17.755 56 1HD2 ASN 8 HD21 ASN 8 -27.175 -21.057 -18.536 57 2HD2 ASN 8 HD22 ASN 8 -28.695 -20.821 -19.321 58 H ALA 9 HN ALA 9 -23.450 -21.464 -19.160 59 HA ALA 9 HA ALA 9 -22.499 -22.107 -16.576 60 1HB ALA 9 HB1 ALA 9 -21.464 -19.592 -17.264 61 2HB ALA 9 HB2 ALA 9 -21.664 -20.470 -18.781 62 3HB ALA 9 HB3 ALA 9 -20.701 -21.167 -17.478 63 H ASN 10 HN ASN 10 -23.553 -21.641 -14.761 64 HA ASN 10 HA ASN 10 -25.132 -19.182 -14.597 65 1HB ASN 10 HB2 ASN 10 -25.778 -21.686 -13.817 66 2HB ASN 10 HB1 ASN 10 -25.097 -21.071 -12.315 67 1HD2 ASN 10 HD21 ASN 10 -27.360 -21.476 -11.643 68 2HD2 ASN 10 HD22 ASN 10 -28.502 -20.197 -11.851 69 H ASP 11 HN ASP 11 -22.690 -20.958 -12.710 70 HA ASP 11 HA ASP 11 -22.221 -18.738 -10.952 71 1HB ASP 11 HB2 ASP 11 -21.882 -21.315 -10.549 72 2HB ASP 11 HB1 ASP 11 -20.291 -21.011 -11.240 73 H ASN 12 HN ASN 12 -21.503 -16.971 -12.054 74 HA ASN 12 HA ASN 12 -19.406 -17.165 -14.018 75 1HB ASN 12 HB2 ASN 12 -21.412 -15.335 -13.490 76 2HB ASN 12 HB1 ASN 12 -19.956 -14.488 -12.978 77 1HD2 ASN 12 HD21 ASN 12 -21.958 -14.970 -15.494 78 2HD2 ASN 12 HD22 ASN 12 -20.885 -14.636 -16.807 79 H ASN 13 HN ASN 13 -17.495 -17.816 -13.156 80 HA ASN 13 HA ASN 13 -16.497 -17.169 -10.634 81 1HB ASN 13 HB2 ASN 13 -15.567 -18.543 -12.963 82 2HB ASN 13 HB1 ASN 13 -14.292 -17.464 -12.405 83 1HD2 ASN 13 HD21 ASN 13 -16.523 -19.977 -11.338 84 2HD2 ASN 13 HD22 ASN 13 -15.502 -20.604 -10.093 85 H GLN 14 HN GLN 14 -16.647 -15.019 -10.114 86 HA GLN 14 HA GLN 14 -15.602 -12.980 -11.854 87 1HB GLN 14 HB2 GLN 14 -17.298 -13.093 -9.553 88 2HB GLN 14 HB1 GLN 14 -15.992 -11.960 -9.230 89 1HG GLN 14 HG2 GLN 14 -16.630 -10.534 -10.898 90 2HG GLN 14 HG1 GLN 14 -17.428 -11.795 -11.829 91 1HE2 GLN 14 HE21 GLN 14 -17.738 -10.600 -8.498 92 2HE2 GLN 14 HE22 GLN 14 -19.441 -10.320 -8.577 93 H PHE 15 HN PHE 15 -13.510 -14.384 -11.779 94 HA PHE 15 HA PHE 15 -11.813 -13.882 -9.494 95 1HB PHE 15 HB2 PHE 15 -11.687 -16.012 -10.737 96 2HB PHE 15 HB1 PHE 15 -11.167 -15.133 -12.170 97 HD1 PHE 15 HD1 PHE 15 -10.199 -16.280 -8.829 98 HD2 PHE 15 HD2 PHE 15 -8.932 -14.286 -12.369 99 HE1 PHE 15 HE1 PHE 15 -7.857 -16.493 -8.107 100 HE2 PHE 15 HE2 PHE 15 -6.587 -14.496 -11.652 101 HZ PHE 15 HZ PHE 15 -6.048 -15.600 -9.519 102 H TYR 16 HN TYR 16 -12.723 -12.089 -12.153 103 HA TYR 16 HA TYR 16 -10.148 -10.800 -12.506 104 1HB TYR 16 HB2 TYR 16 -11.520 -9.347 -14.148 105 2HB TYR 16 HB1 TYR 16 -11.164 -11.014 -14.581 106 HD1 TYR 16 HD1 TYR 16 -12.975 -12.758 -14.144 107 HD2 TYR 16 HD2 TYR 16 -13.721 -8.574 -14.104 108 HE1 TYR 16 HE1 TYR 16 -15.364 -13.190 -14.482 109 HE2 TYR 16 HE2 TYR 16 -16.117 -8.992 -14.440 110 HH TYR 16 HH TYR 16 -17.402 -11.503 -15.607 111 H GLN 17 HN GLN 17 -13.302 -10.162 -11.114 112 HA GLN 17 HA GLN 17 -12.932 -7.404 -10.642 113 1HB GLN 17 HB2 GLN 17 -14.720 -9.478 -9.397 114 2HB GLN 17 HB1 GLN 17 -14.712 -7.810 -8.836 115 1HG GLN 17 HG2 GLN 17 -14.932 -7.657 -11.614 116 2HG GLN 17 HG1 GLN 17 -16.004 -8.963 -11.127 117 1HE2 GLN 17 HE21 GLN 17 -17.880 -7.866 -11.564 118 2HE2 GLN 17 HE22 GLN 17 -18.418 -6.510 -10.638 119 H GLN 18 HN GLN 18 -12.376 -10.252 -8.585 120 HA GLN 18 HA GLN 18 -11.467 -8.793 -6.336 121 1HB GLN 18 HB2 GLN 18 -10.946 -11.646 -7.189 122 2HB GLN 18 HB1 GLN 18 -10.438 -10.978 -5.645 123 1HG GLN 18 HG2 GLN 18 -12.828 -10.455 -5.171 124 2HG GLN 18 HG1 GLN 18 -13.250 -11.339 -6.638 125 1HE2 GLN 18 HE21 GLN 18 -11.788 -13.514 -6.638 126 2HE2 GLN 18 HE22 GLN 18 -12.047 -14.476 -5.228 127 H LYS 19 HN LYS 19 -9.887 -10.080 -9.191 128 HA LYS 19 HA LYS 19 -7.232 -9.699 -8.322 129 1HB LYS 19 HB2 LYS 19 -8.583 -10.412 -10.805 130 2HB LYS 19 HB1 LYS 19 -7.154 -9.426 -11.081 131 1HG LYS 19 HG2 LYS 19 -7.246 -12.013 -9.540 132 2HG LYS 19 HG1 LYS 19 -6.622 -11.794 -11.176 133 1HD LYS 19 HD2 LYS 19 -4.690 -10.864 -10.453 134 2HD LYS 19 HD1 LYS 19 -5.474 -10.023 -9.115 135 1HE LYS 19 HE2 LYS 19 -5.670 -12.242 -7.961 136 2HE LYS 19 HE1 LYS 19 -4.667 -12.923 -9.241 137 1HZ LYS 19 HZ1 LYS 19 -3.864 -10.719 -7.418 138 2HZ LYS 19 HZ2 LYS 19 -2.901 -11.402 -8.628 139 3HZ LYS 19 HZ3 LYS 19 -3.362 -12.329 -7.291 140 H GLN 20 HN GLN 20 -9.620 -7.566 -9.626 141 HA GLN 20 HA GLN 20 -7.911 -5.488 -10.497 142 1HB GLN 20 HB2 GLN 20 -10.795 -5.475 -9.603 143 2HB GLN 20 HB1 GLN 20 -9.978 -4.050 -10.227 144 1HG GLN 20 HG2 GLN 20 -9.984 -6.557 -11.836 145 2HG GLN 20 HG1 GLN 20 -11.424 -5.543 -11.797 146 1HE2 GLN 20 HE21 GLN 20 -11.539 -4.215 -13.444 147 2HE2 GLN 20 HE22 GLN 20 -10.210 -3.457 -14.246 148 H ARG 21 HN ARG 21 -9.508 -6.150 -7.409 149 HA ARG 21 HA ARG 21 -8.974 -3.841 -5.998 150 1HB ARG 21 HB2 ARG 21 -10.173 -6.040 -5.294 151 2HB ARG 21 HB1 ARG 21 -8.585 -6.511 -4.698 152 1HG ARG 21 HG2 ARG 21 -8.754 -4.073 -3.614 153 2HG ARG 21 HG1 ARG 21 -10.468 -4.482 -3.691 154 1HD ARG 21 HD2 ARG 21 -9.084 -6.752 -2.720 155 2HD ARG 21 HD1 ARG 21 -8.501 -5.351 -1.823 156 HE ARG 21 HE ARG 21 -10.982 -4.890 -1.466 157 1HH1 ARG 21 HH11 ARG 21 -9.628 -8.102 -1.718 158 2HH1 ARG 21 HH12 ARG 21 -10.907 -8.839 -0.816 159 1HH2 ARG 21 HH21 ARG 21 -12.650 -5.861 -0.279 160 2HH2 ARG 21 HH22 ARG 21 -12.620 -7.570 0.001 161 H GLN 22 HN GLN 22 -6.945 -6.765 -5.931 162 HA GLN 22 HA GLN 22 -4.754 -5.395 -4.717 163 1HB GLN 22 HB2 GLN 22 -4.613 -8.087 -6.057 164 2HB GLN 22 HB1 GLN 22 -3.651 -7.486 -4.713 165 1HG GLN 22 HG2 GLN 22 -5.974 -7.344 -3.514 166 2HG GLN 22 HG1 GLN 22 -6.439 -8.527 -4.735 167 1HE2 GLN 22 HE21 GLN 22 -6.764 -10.031 -3.036 168 2HE2 GLN 22 HE22 GLN 22 -5.426 -10.846 -2.309 169 H ALA 23 HN ALA 23 -5.820 -5.652 -7.939 170 HA ALA 23 HA ALA 23 -3.327 -5.688 -9.282 171 1HB ALA 23 HB1 ALA 23 -4.488 -5.341 -11.223 172 2HB ALA 23 HB2 ALA 23 -5.637 -4.236 -10.473 173 3HB ALA 23 HB3 ALA 23 -5.775 -5.969 -10.202 174 H LEU 24 HN LEU 24 -5.553 -2.916 -9.102 175 HA LEU 24 HA LEU 24 -3.592 -1.011 -9.696 176 1HB LEU 24 HB2 LEU 24 -6.367 -0.971 -8.681 177 2HB LEU 24 HB1 LEU 24 -5.415 0.460 -8.339 178 HG LEU 24 HG LEU 24 -6.694 0.775 -10.372 179 1HD1 LEU 24 HD11 LEU 24 -4.859 1.302 -11.932 180 2HD1 LEU 24 HD12 LEU 24 -3.748 0.401 -10.900 181 3HD1 LEU 24 HD13 LEU 24 -4.536 1.857 -10.289 182 1HD2 LEU 24 HD21 LEU 24 -6.147 -0.634 -12.368 183 2HD2 LEU 24 HD22 LEU 24 -7.039 -1.464 -11.093 184 3HD2 LEU 24 HD23 LEU 24 -5.306 -1.736 -11.277 185 H GLY 25 HN GLY 25 -4.745 -2.295 -6.609 186 1HA GLY 25 HA2 GLY 25 -3.473 -0.452 -4.915 187 2HA GLY 25 HA1 GLY 25 -3.870 -2.114 -4.489 188 H GLU 26 HN GLU 26 -2.273 -3.238 -6.658 189 HA GLU 26 HA GLU 26 0.164 -3.591 -5.324 190 1HB GLU 26 HB2 GLU 26 -1.093 -4.584 -7.676 191 2HB GLU 26 HB1 GLU 26 0.511 -4.033 -8.136 192 1HG GLU 26 HG2 GLU 26 0.357 -5.667 -5.689 193 2HG GLU 26 HG1 GLU 26 -0.020 -6.487 -7.204 194 H GLN 27 HN GLN 27 -0.868 -1.349 -7.832 195 HA GLN 27 HA GLN 27 1.597 -0.293 -8.601 196 1HB GLN 27 HB2 GLN 27 -1.061 1.116 -8.312 197 2HB GLN 27 HB1 GLN 27 0.324 1.763 -9.177 198 1HG GLN 27 HG2 GLN 27 -0.625 -0.914 -9.990 199 2HG GLN 27 HG1 GLN 27 -1.667 0.456 -10.372 200 1HE2 GLN 27 HE21 GLN 27 0.570 -1.454 -11.657 201 2HE2 GLN 27 HE22 GLN 27 1.323 -0.369 -12.771 202 H LEU 28 HN LEU 28 -0.379 0.250 -5.767 203 HA LEU 28 HA LEU 28 0.781 2.568 -4.730 204 1HB LEU 28 HB2 LEU 28 -1.182 0.968 -3.891 205 2HB LEU 28 HB1 LEU 28 0.097 0.330 -2.878 206 HG LEU 28 HG LEU 28 0.475 2.742 -2.109 207 1HD1 LEU 28 HD11 LEU 28 -0.779 3.811 -3.906 208 2HD1 LEU 28 HD12 LEU 28 -1.423 4.235 -2.322 209 3HD1 LEU 28 HD13 LEU 28 -2.262 3.054 -3.327 210 1HD2 LEU 28 HD21 LEU 28 -0.490 1.833 -0.321 211 2HD2 LEU 28 HD22 LEU 28 -1.483 0.775 -1.322 212 3HD2 LEU 28 HD23 LEU 28 -2.042 2.404 -0.934 213 H TYR 29 HN TYR 29 1.674 -0.821 -4.263 214 HA TYR 29 HA TYR 29 3.972 -0.287 -2.673 215 1HB TYR 29 HB2 TYR 29 2.849 -2.423 -2.517 216 2HB TYR 29 HB1 TYR 29 3.100 -2.728 -4.231 217 HD1 TYR 29 HD1 TYR 29 5.080 -2.032 -1.134 218 HD2 TYR 29 HD2 TYR 29 4.842 -4.089 -4.849 219 HE1 TYR 29 HE1 TYR 29 7.185 -3.199 -0.616 220 HE2 TYR 29 HE2 TYR 29 6.939 -5.261 -4.342 221 HH TYR 29 HH TYR 29 9.101 -4.434 -2.471 222 H LYS 30 HN LYS 30 3.482 -1.072 -6.101 223 HA LYS 30 HA LYS 30 6.125 -1.240 -6.931 224 1HB LYS 30 HB2 LYS 30 3.737 -0.163 -8.440 225 2HB LYS 30 HB1 LYS 30 5.269 -0.605 -9.177 226 1HG LYS 30 HG2 LYS 30 4.892 -2.842 -8.957 227 2HG LYS 30 HG1 LYS 30 3.862 -2.644 -7.538 228 1HD LYS 30 HD2 LYS 30 1.988 -2.206 -8.794 229 2HD LYS 30 HD1 LYS 30 2.917 -1.543 -10.141 230 1HE LYS 30 HE2 LYS 30 3.735 -3.853 -10.613 231 2HE LYS 30 HE1 LYS 30 2.622 -4.443 -9.380 232 1HZ LYS 30 HZ1 LYS 30 0.823 -3.322 -10.707 233 2HZ LYS 30 HZ2 LYS 30 1.526 -4.682 -11.426 234 3HZ LYS 30 HZ3 LYS 30 1.957 -3.132 -11.948 235 H LYS 31 HN LYS 31 4.038 1.617 -6.731 236 HA LYS 31 HA LYS 31 5.854 3.455 -7.812 237 1HB LYS 31 HB2 LYS 31 3.329 3.704 -7.249 238 2HB LYS 31 HB1 LYS 31 3.901 4.220 -5.669 239 1HG LYS 31 HG2 LYS 31 3.520 6.159 -6.989 240 2HG LYS 31 HG1 LYS 31 5.264 5.960 -6.807 241 1HD LYS 31 HD2 LYS 31 5.523 5.211 -9.010 242 2HD LYS 31 HD1 LYS 31 3.802 4.860 -9.184 243 1HE LYS 31 HE2 LYS 31 3.243 7.097 -9.445 244 2HE LYS 31 HE1 LYS 31 4.733 7.659 -8.690 245 1HZ LYS 31 HZ1 LYS 31 4.321 7.626 -11.323 246 2HZ LYS 31 HZ2 LYS 31 5.072 6.123 -11.126 247 3HZ LYS 31 HZ3 LYS 31 5.856 7.533 -10.617 248 H VAL 32 HN VAL 32 5.621 2.049 -4.648 249 HA VAL 32 HA VAL 32 7.349 3.995 -3.399 250 HB VAL 32 HB VAL 32 6.551 1.273 -2.362 251 1HG1 VAL 32 HG11 VAL 32 6.976 2.498 -0.156 252 2HG1 VAL 32 HG12 VAL 32 7.840 3.683 -1.134 253 3HG1 VAL 32 HG13 VAL 32 8.376 2.004 -1.105 254 1HG2 VAL 32 HG21 VAL 32 5.255 3.784 -1.426 255 2HG2 VAL 32 HG22 VAL 32 4.625 2.138 -1.475 256 3HG2 VAL 32 HG23 VAL 32 4.729 3.088 -2.957 257 H SER 33 HN SER 33 7.629 0.558 -4.302 258 HA SER 33 HA SER 33 10.425 0.455 -3.717 259 1HB SER 33 HB2 SER 33 10.301 -1.796 -4.765 260 2HB SER 33 HB1 SER 33 9.066 -1.553 -3.529 261 HG SER 33 HG SER 33 8.752 -2.162 -6.116 262 H ALA 34 HN ALA 34 9.054 2.216 -5.985 263 HA ALA 34 HA ALA 34 10.204 1.454 -8.423 264 1HB ALA 34 HB1 ALA 34 10.016 4.066 -8.787 265 2HB ALA 34 HB2 ALA 34 9.065 3.959 -7.306 266 3HB ALA 34 HB3 ALA 34 8.587 3.034 -8.731 267 H LYS 35 HN LYS 35 11.657 2.645 -5.585 268 HA LYS 35 HA LYS 35 14.008 3.602 -7.058 269 1HB LYS 35 HB2 LYS 35 12.921 4.133 -4.328 270 2HB LYS 35 HB1 LYS 35 14.651 4.287 -4.593 271 1HG LYS 35 HG2 LYS 35 14.270 6.357 -5.285 272 2HG LYS 35 HG1 LYS 35 13.495 5.665 -6.711 273 1HD LYS 35 HD2 LYS 35 11.824 7.037 -5.915 274 2HD LYS 35 HD1 LYS 35 11.411 5.506 -5.140 275 1HE LYS 35 HE2 LYS 35 11.365 6.718 -3.253 276 2HE LYS 35 HE1 LYS 35 13.122 6.586 -3.322 277 1HZ LYS 35 HZ1 LYS 35 11.461 8.841 -4.304 278 2HZ LYS 35 HZ2 LYS 35 13.122 8.701 -4.588 279 3HZ LYS 35 HZ3 LYS 35 12.546 8.861 -3.006 280 H THR 36 HN THR 36 12.848 0.904 -5.381 281 HA THR 36 HA THR 36 15.235 -0.550 -5.704 282 HB THR 36 HB THR 36 16.136 0.658 -3.851 283 HG1 THR 36 HG1 THR 36 16.517 -1.012 -2.451 284 1HG2 THR 36 HG21 THR 36 14.362 -0.067 -1.727 285 2HG2 THR 36 HG22 THR 36 13.498 0.864 -2.951 286 3HG2 THR 36 HG23 THR 36 14.951 1.526 -2.203 287 H SER 37 HN SER 37 14.993 -2.768 -5.165 288 HA SER 37 HA SER 37 12.215 -3.597 -4.996 289 1HB SER 37 HB2 SER 37 14.753 -4.822 -5.881 290 2HB SER 37 HB1 SER 37 13.618 -5.929 -5.110 291 HG SER 37 HG SER 37 13.539 -4.919 -7.581 292 H ASN 38 HN ASN 38 13.236 -2.408 -2.676 293 HA ASN 38 HA ASN 38 13.905 -4.434 -0.745 294 1HB ASN 38 HB2 ASN 38 14.497 -1.865 -0.814 295 2HB ASN 38 HB1 ASN 38 12.956 -1.705 0.016 296 1HD2 ASN 38 HD21 ASN 38 15.984 -1.536 0.669 297 2HD2 ASN 38 HD22 ASN 38 16.087 -2.346 2.191 298 H GLU 39 HN GLU 39 12.279 -5.902 -0.464 299 HA GLU 39 HA GLU 39 9.533 -5.344 -0.552 300 1HB GLU 39 HB2 GLU 39 11.227 -7.621 0.104 301 2HB GLU 39 HB1 GLU 39 9.738 -7.592 1.039 302 1HG GLU 39 HG2 GLU 39 8.419 -7.939 -0.777 303 2HG GLU 39 HG1 GLU 39 9.532 -7.129 -1.880 304 H GLU 40 HN GLU 40 11.805 -5.115 2.085 305 HA GLU 40 HA GLU 40 9.722 -4.951 4.089 306 1HB GLU 40 HB2 GLU 40 12.665 -4.351 4.397 307 2HB GLU 40 HB1 GLU 40 11.507 -4.667 5.683 308 1HG GLU 40 HG2 GLU 40 11.498 -6.837 3.818 309 2HG GLU 40 HG1 GLU 40 13.147 -6.505 4.346 310 H ALA 41 HN ALA 41 11.442 -2.792 2.055 311 HA ALA 41 HA ALA 41 11.026 -0.441 3.667 312 1HB ALA 41 HB1 ALA 41 11.555 -0.025 0.837 313 2HB ALA 41 HB2 ALA 41 12.719 -1.078 1.642 314 3HB ALA 41 HB3 ALA 41 12.425 0.539 2.265 315 H ALA 42 HN ALA 42 9.935 -1.174 0.365 316 HA ALA 42 HA ALA 42 7.900 0.726 0.327 317 1HB ALA 42 HB1 ALA 42 8.515 -0.033 -1.773 318 2HB ALA 42 HB2 ALA 42 6.956 -0.818 -1.528 319 3HB ALA 42 HB3 ALA 42 8.448 -1.728 -1.290 320 H GLY 43 HN GLY 43 7.965 -2.575 1.494 321 1HA GLY 43 HA2 GLY 43 5.176 -2.949 1.747 322 2HA GLY 43 HA1 GLY 43 6.414 -3.795 2.669 323 H LYS 44 HN LYS 44 7.540 -1.233 3.648 324 HA LYS 44 HA LYS 44 5.924 -1.008 6.000 325 1HB LYS 44 HB2 LYS 44 8.377 0.454 5.032 326 2HB LYS 44 HB1 LYS 44 7.566 0.880 6.534 327 1HG LYS 44 HG2 LYS 44 8.244 -1.969 6.162 328 2HG LYS 44 HG1 LYS 44 9.589 -0.854 6.403 329 1HD LYS 44 HD2 LYS 44 9.035 -1.554 8.562 330 2HD LYS 44 HD1 LYS 44 8.257 0.021 8.409 331 1HE LYS 44 HE2 LYS 44 6.482 -2.045 7.498 332 2HE LYS 44 HE1 LYS 44 7.074 -2.428 9.112 333 1HZ LYS 44 HZ1 LYS 44 4.987 -0.884 8.716 334 2HZ LYS 44 HZ2 LYS 44 6.182 0.310 8.635 335 3HZ LYS 44 HZ3 LYS 44 6.040 -0.649 10.020 336 H ILE 45 HN ILE 45 6.819 1.312 3.448 337 HA ILE 45 HA ILE 45 5.108 3.381 4.239 338 HB ILE 45 HB ILE 45 6.044 2.624 1.472 339 1HG1 ILE 45 HG12 ILE 45 7.084 4.781 3.320 340 2HG1 ILE 45 HG11 ILE 45 7.832 3.194 3.123 341 1HG2 ILE 45 HG21 ILE 45 4.174 4.649 2.332 342 2HG2 ILE 45 HG22 ILE 45 4.601 4.124 0.702 343 3HG2 ILE 45 HG23 ILE 45 5.569 5.354 1.516 344 1HD1 ILE 45 HD11 ILE 45 8.483 5.399 1.710 345 2HD1 ILE 45 HD12 ILE 45 7.328 4.627 0.632 346 3HD1 ILE 45 HD13 ILE 45 8.753 3.740 1.176 347 H THR 46 HN THR 46 4.614 0.574 2.169 348 HA THR 46 HA THR 46 2.129 1.169 1.094 349 HB THR 46 HB THR 46 3.228 -1.526 1.938 350 HG1 THR 46 HG1 THR 46 3.176 -0.520 -0.689 351 1HG2 THR 46 HG21 THR 46 0.664 -1.179 1.248 352 2HG2 THR 46 HG22 THR 46 1.597 -2.620 0.847 353 3HG2 THR 46 HG23 THR 46 1.387 -1.343 -0.351 354 H GLY 47 HN GLY 47 2.964 -0.201 4.246 355 1HA GLY 47 HA2 GLY 47 0.366 -0.873 5.075 356 2HA GLY 47 HA1 GLY 47 1.717 -0.516 6.141 357 H MET 48 HN MET 48 2.094 2.189 5.097 358 HA MET 48 HA MET 48 0.195 3.517 6.779 359 1HB MET 48 HB2 MET 48 2.507 4.390 5.087 360 2HB MET 48 HB1 MET 48 1.361 5.593 5.663 361 1HG MET 48 HG2 MET 48 2.594 5.699 7.501 362 2HG MET 48 HG1 MET 48 1.915 4.130 7.923 363 1HE MET 48 HE1 MET 48 5.381 5.116 8.793 364 2HE MET 48 HE2 MET 48 4.589 6.216 7.665 365 3HE MET 48 HE3 MET 48 6.053 5.363 7.183 366 H ILE 49 HN ILE 49 0.900 3.632 3.272 367 HA ILE 49 HA ILE 49 -1.432 5.172 2.694 368 HB ILE 49 HB ILE 49 0.072 3.484 0.701 369 1HG1 ILE 49 HG12 ILE 49 0.765 6.352 1.028 370 2HG1 ILE 49 HG11 ILE 49 1.370 5.255 2.264 371 1HG2 ILE 49 HG21 ILE 49 -1.826 4.315 -0.338 372 2HG2 ILE 49 HG22 ILE 49 -0.605 5.524 -0.738 373 3HG2 ILE 49 HG23 ILE 49 -1.769 5.838 0.550 374 1HD1 ILE 49 HD11 ILE 49 1.861 5.077 -0.695 375 2HD1 ILE 49 HD12 ILE 49 2.397 3.884 0.491 376 3HD1 ILE 49 HD13 ILE 49 3.024 5.534 0.551 377 H LEU 50 HN LEU 50 -1.220 2.105 3.784 378 HA LEU 50 HA LEU 50 -3.051 0.760 2.048 379 1HB LEU 50 HB2 LEU 50 -1.318 -0.003 4.059 380 2HB LEU 50 HB1 LEU 50 -2.890 -0.218 4.800 381 HG LEU 50 HG LEU 50 -2.214 -2.300 3.826 382 1HD1 LEU 50 HD11 LEU 50 -4.585 -1.700 3.665 383 2HD1 LEU 50 HD12 LEU 50 -4.073 -2.723 2.322 384 3HD1 LEU 50 HD13 LEU 50 -4.291 -0.990 2.076 385 1HD2 LEU 50 HD21 LEU 50 -1.239 -0.590 1.701 386 2HD2 LEU 50 HD22 LEU 50 -2.197 -1.932 1.076 387 3HD2 LEU 50 HD23 LEU 50 -0.802 -2.249 2.105 388 H ASP 51 HN ASP 51 -3.590 3.396 3.756 389 HA ASP 51 HA ASP 51 -5.949 2.654 5.225 390 1HB ASP 51 HB2 ASP 51 -6.155 5.132 5.577 391 2HB ASP 51 HB1 ASP 51 -4.632 4.442 6.129 392 H LEU 52 HN LEU 52 -5.182 3.713 2.007 393 HA LEU 52 HA LEU 52 -7.765 4.775 1.400 394 1HB LEU 52 HB2 LEU 52 -5.572 3.733 -0.394 395 2HB LEU 52 HB1 LEU 52 -7.031 4.504 -0.979 396 HG LEU 52 HG LEU 52 -5.317 6.142 -1.050 397 1HD1 LEU 52 HD11 LEU 52 -6.045 7.769 0.769 398 2HD1 LEU 52 HD12 LEU 52 -7.160 6.509 1.290 399 3HD1 LEU 52 HD13 LEU 52 -7.288 7.182 -0.334 400 1HD2 LEU 52 HD21 LEU 52 -3.801 6.639 0.679 401 2HD2 LEU 52 HD22 LEU 52 -3.844 4.881 0.574 402 3HD2 LEU 52 HD23 LEU 52 -4.720 5.705 1.862 403 HA PRO 53 HA PRO 53 -10.118 1.014 1.312 404 1HB PRO 53 HB2 PRO 53 -11.474 2.382 -0.963 405 2HB PRO 53 HB1 PRO 53 -12.173 1.598 0.457 406 1HG PRO 53 HG2 PRO 53 -12.027 4.261 0.291 407 2HG PRO 53 HG1 PRO 53 -11.774 3.418 1.829 408 1HD PRO 53 HD2 PRO 53 -9.795 4.720 0.034 409 2HD PRO 53 HD1 PRO 53 -9.767 4.526 1.798 410 HA PRO 54 HA PRO 54 -8.779 -1.653 -1.917 411 1HB PRO 54 HB2 PRO 54 -11.557 -2.173 -2.814 412 2HB PRO 54 HB1 PRO 54 -10.331 -3.293 -2.231 413 1HG PRO 54 HG2 PRO 54 -12.421 -2.624 -0.714 414 2HG PRO 54 HG1 PRO 54 -10.815 -2.896 -0.012 415 1HD PRO 54 HD2 PRO 54 -12.230 -0.327 -0.575 416 2HD PRO 54 HD1 PRO 54 -11.187 -0.765 0.792 417 H GLN 55 HN GLN 55 -11.747 -0.451 -3.429 418 HA GLN 55 HA GLN 55 -10.414 -0.007 -5.927 419 1HB GLN 55 HB2 GLN 55 -13.199 0.875 -5.165 420 2HB GLN 55 HB1 GLN 55 -12.566 0.611 -6.784 421 1HG GLN 55 HG2 GLN 55 -12.420 -1.760 -6.390 422 2HG GLN 55 HG1 GLN 55 -12.917 -1.543 -4.712 423 1HE2 GLN 55 HE21 GLN 55 -14.338 -3.276 -6.093 424 2HE2 GLN 55 HE22 GLN 55 -15.883 -2.641 -6.538 425 H GLU 56 HN GLU 56 -11.461 1.981 -3.245 426 HA GLU 56 HA GLU 56 -11.272 4.486 -4.537 427 1HB GLU 56 HB2 GLU 56 -12.420 3.854 -2.316 428 2HB GLU 56 HB1 GLU 56 -10.836 4.107 -1.595 429 1HG GLU 56 HG2 GLU 56 -10.814 6.386 -2.208 430 2HG GLU 56 HG1 GLU 56 -12.207 6.186 -3.270 431 H VAL 57 HN VAL 57 -8.803 2.371 -3.546 432 HA VAL 57 HA VAL 57 -6.872 4.464 -2.999 433 HB VAL 57 HB VAL 57 -6.744 2.288 -1.817 434 1HG1 VAL 57 HG11 VAL 57 -5.464 0.872 -4.027 435 2HG1 VAL 57 HG12 VAL 57 -7.184 1.167 -4.272 436 3HG1 VAL 57 HG13 VAL 57 -6.635 0.302 -2.837 437 1HG2 VAL 57 HG21 VAL 57 -4.284 2.681 -3.498 438 2HG2 VAL 57 HG22 VAL 57 -4.393 2.123 -1.829 439 3HG2 VAL 57 HG23 VAL 57 -4.759 3.802 -2.223 440 H PHE 58 HN PHE 58 -7.880 2.460 -5.649 441 HA PHE 58 HA PHE 58 -5.756 2.464 -7.365 442 1HB PHE 58 HB2 PHE 58 -8.645 2.905 -8.132 443 2HB PHE 58 HB1 PHE 58 -7.367 2.421 -9.230 444 HD1 PHE 58 HD1 PHE 58 -9.373 0.718 -9.528 445 HD2 PHE 58 HD2 PHE 58 -6.699 0.805 -6.216 446 HE1 PHE 58 HE1 PHE 58 -9.871 -1.640 -9.070 447 HE2 PHE 58 HE2 PHE 58 -7.203 -1.558 -5.752 448 HZ PHE 58 HZ PHE 58 -8.788 -2.774 -7.189 449 HA PRO 59 HA PRO 59 -7.133 6.810 -9.185 450 1HB PRO 59 HB2 PRO 59 -8.323 7.946 -6.709 451 2HB PRO 59 HB1 PRO 59 -8.809 8.163 -8.395 452 1HG PRO 59 HG2 PRO 59 -10.230 6.610 -6.765 453 2HG PRO 59 HG1 PRO 59 -9.963 6.147 -8.457 454 1HD PRO 59 HD2 PRO 59 -8.647 5.116 -5.977 455 2HD PRO 59 HD1 PRO 59 -9.154 4.242 -7.433 456 H LEU 60 HN LEU 60 -6.305 6.450 -5.768 457 HA LEU 60 HA LEU 60 -4.608 8.733 -5.650 458 1HB LEU 60 HB2 LEU 60 -5.477 7.992 -3.595 459 2HB LEU 60 HB1 LEU 60 -5.027 6.327 -3.904 460 HG LEU 60 HG LEU 60 -2.608 7.749 -3.862 461 1HD1 LEU 60 HD11 LEU 60 -4.552 9.119 -2.293 462 2HD1 LEU 60 HD12 LEU 60 -2.852 9.504 -2.582 463 3HD1 LEU 60 HD13 LEU 60 -3.303 8.431 -1.255 464 1HD2 LEU 60 HD21 LEU 60 -2.081 5.982 -2.629 465 2HD2 LEU 60 HD22 LEU 60 -3.775 5.498 -2.665 466 3HD2 LEU 60 HD23 LEU 60 -3.171 6.495 -1.342 467 H LEU 61 HN LEU 61 -3.931 5.246 -5.801 468 HA LEU 61 HA LEU 61 -1.146 5.501 -6.005 469 1HB LEU 61 HB2 LEU 61 -1.297 3.139 -6.955 470 2HB LEU 61 HB1 LEU 61 -1.909 3.409 -5.339 471 HG LEU 61 HG LEU 61 -4.176 3.758 -6.769 472 1HD1 LEU 61 HD11 LEU 61 -3.866 3.091 -8.866 473 2HD1 LEU 61 HD12 LEU 61 -3.824 1.458 -8.206 474 3HD1 LEU 61 HD13 LEU 61 -2.321 2.335 -8.490 475 1HD2 LEU 61 HD21 LEU 61 -3.068 1.834 -5.012 476 2HD2 LEU 61 HD22 LEU 61 -3.920 0.973 -6.289 477 3HD2 LEU 61 HD23 LEU 61 -4.763 2.179 -5.333 478 H GLU 62 HN GLU 62 -3.400 6.445 -8.284 479 HA GLU 62 HA GLU 62 -1.640 5.787 -10.534 480 1HB GLU 62 HB2 GLU 62 -4.533 6.195 -10.223 481 2HB GLU 62 HB1 GLU 62 -3.846 6.961 -11.648 482 1HG GLU 62 HG2 GLU 62 -3.247 4.102 -11.022 483 2HG GLU 62 HG1 GLU 62 -4.753 4.557 -11.817 484 H SER 63 HN SER 63 -2.397 8.316 -8.437 485 HA SER 63 HA SER 63 -1.510 10.337 -10.379 486 1HB SER 63 HB2 SER 63 -3.733 10.473 -8.924 487 2HB SER 63 HB1 SER 63 -2.611 11.106 -7.724 488 HG SER 63 HG SER 63 -3.067 12.896 -8.785 489 H ASP 64 HN ASP 64 0.503 11.033 -10.215 490 HA ASP 64 HA ASP 64 2.308 10.151 -8.272 491 1HB ASP 64 HB2 ASP 64 2.488 11.479 -10.686 492 2HB ASP 64 HB1 ASP 64 3.074 12.675 -9.535 493 H GLU 65 HN GLU 65 0.818 13.361 -8.654 494 HA GLU 65 HA GLU 65 1.985 14.564 -6.419 495 1HB GLU 65 HB2 GLU 65 0.029 16.124 -6.502 496 2HB GLU 65 HB1 GLU 65 0.861 15.923 -8.038 497 1HG GLU 65 HG2 GLU 65 -1.017 14.023 -8.286 498 2HG GLU 65 HG1 GLU 65 -1.871 15.159 -7.243 499 H LEU 66 HN LEU 66 -1.122 12.876 -6.723 500 HA LEU 66 HA LEU 66 -1.945 13.180 -4.061 501 1HB LEU 66 HB2 LEU 66 -2.935 11.989 -6.375 502 2HB LEU 66 HB1 LEU 66 -2.794 10.663 -5.238 503 HG LEU 66 HG LEU 66 -5.014 11.569 -5.112 504 1HD1 LEU 66 HD11 LEU 66 -4.186 10.810 -3.032 505 2HD1 LEU 66 HD12 LEU 66 -5.031 12.326 -2.719 506 3HD1 LEU 66 HD13 LEU 66 -3.267 12.291 -2.775 507 1HD2 LEU 66 HD21 LEU 66 -5.513 13.850 -4.682 508 2HD2 LEU 66 HD22 LEU 66 -4.349 13.828 -6.007 509 3HD2 LEU 66 HD23 LEU 66 -3.819 14.232 -4.375 510 H PHE 67 HN PHE 67 0.307 11.018 -5.560 511 HA PHE 67 HA PHE 67 0.427 9.173 -3.361 512 1HB PHE 67 HB2 PHE 67 1.058 8.792 -5.891 513 2HB PHE 67 HB1 PHE 67 2.635 9.378 -5.364 514 HD1 PHE 67 HD1 PHE 67 4.170 7.785 -4.656 515 HD2 PHE 67 HD2 PHE 67 0.005 7.003 -4.249 516 HE1 PHE 67 HE1 PHE 67 4.677 5.554 -3.753 517 HE2 PHE 67 HE2 PHE 67 0.517 4.783 -3.346 518 HZ PHE 67 HZ PHE 67 2.837 4.049 -3.097 519 H GLU 68 HN GLU 68 2.666 11.617 -4.681 520 HA GLU 68 HA GLU 68 4.740 11.434 -2.938 521 1HB GLU 68 HB2 GLU 68 3.468 13.791 -4.278 522 2HB GLU 68 HB1 GLU 68 4.799 14.044 -3.157 523 1HG GLU 68 HG2 GLU 68 6.302 13.403 -4.658 524 2HG GLU 68 HG1 GLU 68 5.394 11.944 -5.053 525 H GLN 69 HN GLN 69 1.747 13.267 -2.373 526 HA GLN 69 HA GLN 69 2.387 14.310 0.133 527 1HB GLN 69 HB2 GLN 69 -0.277 13.524 -1.048 528 2HB GLN 69 HB1 GLN 69 -0.108 14.406 0.463 529 1HG GLN 69 HG2 GLN 69 0.872 16.272 -0.650 530 2HG GLN 69 HG1 GLN 69 0.995 15.373 -2.161 531 1HE2 GLN 69 HE21 GLN 69 -0.521 17.848 -1.039 532 2HE2 GLN 69 HE22 GLN 69 -2.104 17.651 -1.705 533 H HIS 70 HN HIS 70 0.330 11.488 -0.516 534 HA HIS 70 HA HIS 70 0.203 10.631 2.160 535 1HB HIS 70 HB2 HIS 70 -0.498 9.484 -0.472 536 2HB HIS 70 HB1 HIS 70 -0.200 8.309 0.804 537 HD2 HIS 70 HD2 HIS 70 -3.036 10.423 -0.491 538 HE1 HIS 70 HE1 HIS 70 -4.071 9.411 3.498 539 HE2 HIS 70 HE2 HIS 70 -4.907 10.293 1.289 540 H TYR 71 HN TYR 71 2.231 9.482 -0.521 541 HA TYR 71 HA TYR 71 3.720 7.640 1.023 542 1HB TYR 71 HB2 TYR 71 3.841 7.168 -1.230 543 2HB TYR 71 HB1 TYR 71 3.940 8.858 -1.691 544 HD1 TYR 71 HD1 TYR 71 5.982 9.766 -2.332 545 HD2 TYR 71 HD2 TYR 71 5.941 6.139 -0.113 546 HE1 TYR 71 HE1 TYR 71 8.400 9.520 -2.700 547 HE2 TYR 71 HE2 TYR 71 8.360 5.886 -0.474 548 HH TYR 71 HH TYR 71 10.337 8.302 -1.456 549 H LYS 72 HN LYS 72 3.745 11.030 0.989 550 HA LYS 72 HA LYS 72 6.482 11.601 1.367 551 1HB LYS 72 HB2 LYS 72 4.741 13.319 0.870 552 2HB LYS 72 HB1 LYS 72 4.128 13.121 2.502 553 1HG LYS 72 HG2 LYS 72 6.065 14.033 3.455 554 2HG LYS 72 HG1 LYS 72 6.969 13.891 1.946 555 1HD LYS 72 HD2 LYS 72 4.555 15.664 2.297 556 2HD LYS 72 HD1 LYS 72 6.219 16.217 2.505 557 1HE LYS 72 HE2 LYS 72 6.631 16.224 0.287 558 2HE LYS 72 HE1 LYS 72 5.666 14.778 -0.004 559 1HZ LYS 72 HZ1 LYS 72 4.967 17.437 -0.478 560 2HZ LYS 72 HZ2 LYS 72 3.952 16.871 0.751 561 3HZ LYS 72 HZ3 LYS 72 4.026 16.053 -0.728 562 H GLU 73 HN GLU 73 3.917 11.616 3.843 563 HA GLU 73 HA GLU 73 5.543 11.719 6.071 564 1HB GLU 73 HB2 GLU 73 2.785 11.233 5.523 565 2HB GLU 73 HB1 GLU 73 3.323 10.035 6.691 566 1HG GLU 73 HG2 GLU 73 3.538 11.543 8.333 567 2HG GLU 73 HG1 GLU 73 4.189 12.778 7.256 568 H ALA 74 HN ALA 74 4.466 8.915 4.230 569 HA ALA 74 HA ALA 74 5.637 6.972 5.955 570 1HB ALA 74 HB1 ALA 74 4.815 5.412 4.512 571 2HB ALA 74 HB2 ALA 74 5.215 6.368 3.085 572 3HB ALA 74 HB3 ALA 74 3.798 6.780 4.052 573 H SER 75 HN SER 75 6.765 8.900 3.281 574 HA SER 75 HA SER 75 9.000 7.386 2.535 575 1HB SER 75 HB2 SER 75 8.018 9.483 1.382 576 2HB SER 75 HB1 SER 75 9.001 10.404 2.518 577 HG SER 75 HG SER 75 10.468 10.125 1.027 578 H ALA 76 HN ALA 76 8.790 10.163 4.773 579 HA ALA 76 HA ALA 76 11.380 10.249 5.674 580 1HB ALA 76 HB1 ALA 76 10.599 11.687 7.204 581 2HB ALA 76 HB2 ALA 76 9.469 10.509 7.870 582 3HB ALA 76 HB3 ALA 76 9.031 11.441 6.438 583 H ALA 77 HN ALA 77 8.836 8.009 6.560 584 HA ALA 77 HA ALA 77 10.402 6.637 8.564 585 1HB ALA 77 HB1 ALA 77 8.103 6.512 8.964 586 2HB ALA 77 HB2 ALA 77 8.487 4.927 8.293 587 3HB ALA 77 HB3 ALA 77 7.737 6.157 7.278 588 H TYR 78 HN TYR 78 9.602 6.317 5.197 589 HA TYR 78 HA TYR 78 10.334 3.783 4.487 590 1HB TYR 78 HB2 TYR 78 9.525 5.591 2.964 591 2HB TYR 78 HB1 TYR 78 11.122 6.305 3.013 592 HD1 TYR 78 HD1 TYR 78 10.203 5.903 0.442 593 HD2 TYR 78 HD2 TYR 78 11.872 2.968 3.028 594 HE1 TYR 78 HE1 TYR 78 10.888 4.573 -1.514 595 HE2 TYR 78 HE2 TYR 78 12.569 1.650 1.086 596 HH TYR 78 HH TYR 78 11.909 2.718 -2.228 597 H GLU 79 HN GLU 79 12.538 6.573 4.547 598 HA GLU 79 HA GLU 79 14.889 5.148 4.106 599 1HB GLU 79 HB2 GLU 79 14.353 7.784 5.455 600 2HB GLU 79 HB1 GLU 79 15.984 7.163 5.242 601 1HG GLU 79 HG2 GLU 79 15.440 6.991 2.773 602 2HG GLU 79 HG1 GLU 79 14.006 7.951 3.129 603 H SER 80 HN SER 80 13.399 6.158 7.144 604 HA SER 80 HA SER 80 15.330 5.168 8.877 605 1HB SER 80 HB2 SER 80 12.398 5.728 9.159 606 2HB SER 80 HB1 SER 80 13.286 4.978 10.485 607 HG SER 80 HG SER 80 13.317 7.562 9.603 608 H PHE 81 HN PHE 81 12.547 3.595 7.395 609 HA PHE 81 HA PHE 81 12.793 1.169 8.834 610 1HB PHE 81 HB2 PHE 81 11.281 2.023 6.394 611 2HB PHE 81 HB1 PHE 81 11.354 0.318 6.829 612 HD1 PHE 81 HD1 PHE 81 11.208 0.377 9.731 613 HD2 PHE 81 HD2 PHE 81 9.132 2.732 6.857 614 HE1 PHE 81 HE1 PHE 81 9.378 0.717 11.340 615 HE2 PHE 81 HE2 PHE 81 7.297 3.074 8.460 616 HZ PHE 81 HZ PHE 81 7.419 2.067 10.706 617 H LYS 82 HN LYS 82 13.640 1.995 5.452 618 HA LYS 82 HA LYS 82 14.885 -0.502 4.960 619 1HB LYS 82 HB2 LYS 82 15.875 0.637 2.964 620 2HB LYS 82 HB1 LYS 82 14.128 0.755 3.079 621 1HG LYS 82 HG2 LYS 82 14.163 2.983 3.212 622 2HG LYS 82 HG1 LYS 82 15.540 2.992 4.318 623 1HD LYS 82 HD2 LYS 82 16.961 2.385 2.283 624 2HD LYS 82 HD1 LYS 82 15.551 2.822 1.315 625 1HE LYS 82 HE2 LYS 82 15.761 5.040 1.762 626 2HE LYS 82 HE1 LYS 82 16.427 4.763 3.370 627 1HZ LYS 82 HZ1 LYS 82 18.508 4.039 2.260 628 2HZ LYS 82 HZ2 LYS 82 18.131 5.670 2.017 629 3HZ LYS 82 HZ3 LYS 82 17.856 4.546 0.783 630 H LYS 83 HN LYS 83 15.976 2.407 6.488 631 HA LYS 83 HA LYS 83 18.779 1.804 6.186 632 1HB LYS 83 HB2 LYS 83 17.253 3.886 7.730 633 2HB LYS 83 HB1 LYS 83 18.983 3.670 7.947 634 1HG LYS 83 HG2 LYS 83 19.384 4.155 5.620 635 2HG LYS 83 HG1 LYS 83 17.650 4.260 5.313 636 1HD LYS 83 HD2 LYS 83 17.644 6.403 5.909 637 2HD LYS 83 HD1 LYS 83 18.320 5.993 7.485 638 1HE LYS 83 HE2 LYS 83 20.291 5.902 5.342 639 2HE LYS 83 HE1 LYS 83 19.553 7.492 5.527 640 1HZ LYS 83 HZ1 LYS 83 20.266 6.318 8.039 641 2HZ LYS 83 HZ2 LYS 83 20.657 7.839 7.411 642 3HZ LYS 83 HZ3 LYS 83 21.604 6.495 7.017 643 H GLU 84 HN GLU 84 16.361 1.572 8.770 644 HA GLU 84 HA GLU 84 18.284 0.380 10.587 645 1HB GLU 84 HB2 GLU 84 15.444 1.267 10.773 646 2HB GLU 84 HB1 GLU 84 15.984 0.026 11.891 647 1HG GLU 84 HG2 GLU 84 17.534 1.436 12.903 648 2HG GLU 84 HG1 GLU 84 17.505 2.584 11.564 649 H GLN 85 HN GLN 85 17.926 -1.050 8.168 650 HA GLN 85 HA GLN 85 16.155 -3.257 8.600 651 1HB GLN 85 HB2 GLN 85 17.965 -2.324 6.495 652 2HB GLN 85 HB1 GLN 85 17.933 -4.074 6.661 653 1HG GLN 85 HG2 GLN 85 15.485 -2.360 6.333 654 2HG GLN 85 HG1 GLN 85 16.319 -3.173 5.009 655 1HE2 GLN 85 HE21 GLN 85 13.629 -3.407 6.552 656 2HE2 GLN 85 HE22 GLN 85 13.456 -5.113 6.756 657 H GLU 86 HN GLU 86 16.574 -4.629 10.216 658 HA GLU 86 HA GLU 86 19.244 -5.202 11.095 659 1HB GLU 86 HB2 GLU 86 18.119 -6.813 12.630 660 2HB GLU 86 HB1 GLU 86 17.495 -5.173 12.743 661 1HG GLU 86 HG2 GLU 86 15.449 -5.785 12.111 662 2HG GLU 86 HG1 GLU 86 16.054 -6.828 10.826 663 H GLN 87 HN GLN 87 17.480 -6.268 8.495 664 HA GLN 87 HA GLN 87 18.608 -8.967 8.527 665 1HB GLN 87 HB2 GLN 87 16.148 -8.424 7.937 666 2HB GLN 87 HB1 GLN 87 16.791 -7.865 6.400 667 1HG GLN 87 HG2 GLN 87 16.317 -9.997 5.827 668 2HG GLN 87 HG1 GLN 87 17.951 -10.246 6.441 669 1HE2 GLN 87 HE21 GLN 87 18.059 -10.769 8.813 670 2HE2 GLN 87 HE22 GLN 87 16.870 -11.858 9.430 671 H GLN 88 HN GLN 88 18.247 -6.297 6.178 672 HA GLN 88 HA GLN 88 20.623 -7.250 4.775 673 1HB GLN 88 HB2 GLN 88 18.230 -5.902 3.998 674 2HB GLN 88 HB1 GLN 88 19.596 -4.870 3.593 675 1HG GLN 88 HG2 GLN 88 19.695 -6.064 1.717 676 2HG GLN 88 HG1 GLN 88 20.459 -7.298 2.718 677 1HE2 GLN 88 HE21 GLN 88 19.593 -9.237 2.640 678 2HE2 GLN 88 HE22 GLN 88 17.974 -9.614 2.169 679 H THR 89 HN THR 89 22.568 -6.421 5.142 680 HA THR 89 HA THR 89 22.773 -3.930 6.668 681 HB THR 89 HB THR 89 25.245 -4.702 6.797 682 HG1 THR 89 HG1 THR 89 25.047 -6.315 5.182 683 1HG2 THR 89 HG21 THR 89 23.569 -6.714 8.163 684 2HG2 THR 89 HG22 THR 89 23.260 -5.017 8.531 685 3HG2 THR 89 HG23 THR 89 24.867 -5.697 8.789 686 H GLU 90 HN GLU 90 22.477 -2.385 5.077 687 HA GLU 90 HA GLU 90 23.828 -2.393 2.589 688 1HB GLU 90 HB2 GLU 90 22.475 -0.216 4.177 689 2HB GLU 90 HB1 GLU 90 23.219 0.086 2.612 690 1HG GLU 90 HG2 GLU 90 21.250 -0.429 1.730 691 2HG GLU 90 HG1 GLU 90 21.627 -2.104 2.131 692 H GLN 91 HN GLN 91 25.785 -1.623 1.999 693 HA GLN 91 HA GLN 91 27.740 -1.171 4.008 694 1HB GLN 91 HB2 GLN 91 29.255 -0.699 2.086 695 2HB GLN 91 HB1 GLN 91 28.401 -2.230 1.959 696 1HG GLN 91 HG2 GLN 91 27.495 -1.646 0.027 697 2HG GLN 91 HG1 GLN 91 26.897 -0.130 0.699 698 1HE2 GLN 91 HE21 GLN 91 28.347 1.688 0.724 699 2HE2 GLN 91 HE22 GLN 91 29.576 1.824 -0.483 700 H ALA 92 HN ALA 92 25.714 0.927 2.118 701 HA ALA 92 HA ALA 92 27.279 3.292 2.739 702 1HB ALA 92 HB1 ALA 92 24.922 4.210 1.690 703 2HB ALA 92 HB2 ALA 92 25.085 2.628 0.929 704 3HB ALA 92 HB3 ALA 92 26.372 3.821 0.763 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -45.303 -21.480 11.110 2 2H GLY 1 HT2 GLY 1 -44.814 -20.504 12.402 3 3H GLY 1 HT3 GLY 1 -43.670 -21.411 11.549 4 1HA GLY 1 HA1 GLY 1 -45.009 -19.837 9.680 5 2HA GLY 1 HA2 GLY 1 -44.591 -18.798 11.033 6 HA PRO 2 HA PRO 2 -40.346 -20.743 9.497 7 1HB PRO 2 HB2 PRO 2 -41.251 -21.640 6.810 8 2HB PRO 2 HB1 PRO 2 -40.093 -22.389 7.916 9 1HG PRO 2 HG2 PRO 2 -42.531 -23.413 7.598 10 2HG PRO 2 HG1 PRO 2 -41.755 -23.382 9.193 11 1HD PRO 2 HD2 PRO 2 -43.915 -21.630 8.099 12 2HD PRO 2 HD1 PRO 2 -43.707 -22.273 9.740 13 H LEU 3 HN LEU 3 -39.993 -18.501 9.464 14 HA LEU 3 HA LEU 3 -40.720 -16.892 7.211 15 1HB LEU 3 HB2 LEU 3 -39.620 -16.491 9.834 16 2HB LEU 3 HB1 LEU 3 -38.663 -15.615 8.655 17 HG LEU 3 HG LEU 3 -41.471 -15.191 8.157 18 1HD1 LEU 3 HD11 LEU 3 -41.107 -13.715 10.551 19 2HD1 LEU 3 HD12 LEU 3 -40.823 -15.417 10.915 20 3HD1 LEU 3 HD13 LEU 3 -42.344 -14.916 10.175 21 1HD2 LEU 3 HD21 LEU 3 -40.621 -13.250 7.494 22 2HD2 LEU 3 HD22 LEU 3 -39.034 -13.804 8.020 23 3HD2 LEU 3 HD23 LEU 3 -40.057 -12.890 9.126 24 H GLY 4 HN GLY 4 -39.803 -17.961 5.422 25 1HA GLY 4 HA2 GLY 4 -36.871 -18.073 5.315 26 2HA GLY 4 HA1 GLY 4 -37.973 -18.854 4.190 27 H SER 5 HN SER 5 -37.458 -15.520 5.345 28 HA SER 5 HA SER 5 -37.914 -14.521 2.660 29 1HB SER 5 HB2 SER 5 -38.384 -13.517 5.222 30 2HB SER 5 HB1 SER 5 -37.080 -12.516 4.586 31 HG SER 5 HG SER 5 -39.672 -12.921 3.545 32 HA PRO 6 HA PRO 6 -33.507 -14.799 1.750 33 1HB PRO 6 HB2 PRO 6 -34.384 -13.080 -0.512 34 2HB PRO 6 HB1 PRO 6 -33.437 -14.571 -0.534 35 1HG PRO 6 HG2 PRO 6 -35.987 -14.570 -1.296 36 2HG PRO 6 HG1 PRO 6 -35.314 -15.922 -0.364 37 1HD PRO 6 HD2 PRO 6 -37.079 -13.685 0.540 38 2HD PRO 6 HD1 PRO 6 -37.083 -15.393 1.024 39 H ARG 7 HN ARG 7 -31.804 -13.468 2.134 40 HA ARG 7 HA ARG 7 -32.422 -10.734 2.966 41 1HB ARG 7 HB2 ARG 7 -30.019 -12.508 3.398 42 2HB ARG 7 HB1 ARG 7 -30.049 -10.814 3.863 43 1HG ARG 7 HG2 ARG 7 -32.105 -11.379 5.239 44 2HG ARG 7 HG1 ARG 7 -31.691 -13.073 4.961 45 1HD ARG 7 HD2 ARG 7 -29.780 -12.952 6.232 46 2HD ARG 7 HD1 ARG 7 -29.584 -11.224 5.961 47 HE ARG 7 HE ARG 7 -31.194 -10.802 7.641 48 1HH1 ARG 7 HH11 ARG 7 -30.443 -14.206 7.322 49 2HH1 ARG 7 HH12 ARG 7 -31.060 -14.607 8.887 50 1HH2 ARG 7 HH21 ARG 7 -31.999 -11.344 9.694 51 2HH2 ARG 7 HH22 ARG 7 -31.943 -12.990 10.229 52 H ASN 8 HN ASN 8 -31.574 -8.940 2.005 53 HA ASN 8 HA ASN 8 -30.138 -9.392 -0.519 54 1HB ASN 8 HB2 ASN 8 -32.418 -7.914 -0.012 55 2HB ASN 8 HB1 ASN 8 -31.154 -6.687 -0.068 56 1HD2 ASN 8 HD21 ASN 8 -33.342 -8.313 -1.873 57 2HD2 ASN 8 HD22 ASN 8 -32.618 -8.149 -3.434 58 H ALA 9 HN ALA 9 -28.012 -9.391 0.010 59 HA ALA 9 HA ALA 9 -26.822 -7.733 1.956 60 1HB ALA 9 HB1 ALA 9 -25.269 -9.291 1.599 61 2HB ALA 9 HB2 ALA 9 -24.803 -8.379 0.164 62 3HB ALA 9 HB3 ALA 9 -25.951 -9.709 0.027 63 H ASN 10 HN ASN 10 -27.023 -5.571 1.790 64 HA ASN 10 HA ASN 10 -26.668 -4.277 -0.799 65 1HB ASN 10 HB2 ASN 10 -27.407 -2.231 0.363 66 2HB ASN 10 HB1 ASN 10 -28.558 -3.550 0.564 67 1HD2 ASN 10 HD21 ASN 10 -28.811 -4.501 2.568 68 2HD2 ASN 10 HD22 ASN 10 -28.204 -3.785 4.017 69 H ASP 11 HN ASP 11 -24.481 -5.485 1.040 70 HA ASP 11 HA ASP 11 -22.855 -3.145 1.594 71 1HB ASP 11 HB2 ASP 11 -22.605 -6.080 2.143 72 2HB ASP 11 HB1 ASP 11 -21.166 -5.066 2.200 73 H ASN 12 HN ASN 12 -20.559 -3.130 0.842 74 HA ASN 12 HA ASN 12 -20.491 -3.805 -2.008 75 1HB ASN 12 HB2 ASN 12 -19.520 -1.578 -0.418 76 2HB ASN 12 HB1 ASN 12 -18.242 -2.256 -1.424 77 1HD2 ASN 12 HD21 ASN 12 -18.812 -2.598 -3.725 78 2HD2 ASN 12 HD22 ASN 12 -19.802 -1.408 -4.493 79 H ASN 13 HN ASN 13 -20.028 -6.046 -1.596 80 HA ASN 13 HA ASN 13 -17.183 -6.494 -1.001 81 1HB ASN 13 HB2 ASN 13 -19.017 -7.260 0.765 82 2HB ASN 13 HB1 ASN 13 -19.155 -8.631 -0.331 83 1HD2 ASN 13 HD21 ASN 13 -16.663 -9.145 -1.118 84 2HD2 ASN 13 HD22 ASN 13 -15.648 -9.528 0.224 85 H GLN 14 HN GLN 14 -16.939 -6.379 -3.321 86 HA GLN 14 HA GLN 14 -18.158 -8.526 -4.866 87 1HB GLN 14 HB2 GLN 14 -16.344 -6.248 -5.682 88 2HB GLN 14 HB1 GLN 14 -16.989 -7.450 -6.794 89 1HG GLN 14 HG2 GLN 14 -18.713 -5.663 -5.099 90 2HG GLN 14 HG1 GLN 14 -18.214 -5.271 -6.743 91 1HE2 GLN 14 HE21 GLN 14 -20.879 -5.501 -5.962 92 2HE2 GLN 14 HE22 GLN 14 -21.577 -6.863 -6.764 93 H PHE 15 HN PHE 15 -17.060 -10.231 -3.713 94 HA PHE 15 HA PHE 15 -14.206 -10.429 -3.842 95 1HB PHE 15 HB2 PHE 15 -14.695 -12.848 -3.096 96 2HB PHE 15 HB1 PHE 15 -15.084 -11.538 -1.990 97 HD1 PHE 15 HD1 PHE 15 -16.373 -14.265 -3.978 98 HD2 PHE 15 HD2 PHE 15 -17.427 -10.850 -1.677 99 HE1 PHE 15 HE1 PHE 15 -18.682 -15.101 -3.808 100 HE2 PHE 15 HE2 PHE 15 -19.740 -11.673 -1.500 101 HZ PHE 15 HZ PHE 15 -20.371 -13.803 -2.567 102 H TYR 16 HN TYR 16 -16.526 -10.778 -6.166 103 HA TYR 16 HA TYR 16 -15.548 -13.098 -7.519 104 1HB TYR 16 HB2 TYR 16 -17.863 -11.779 -7.678 105 2HB TYR 16 HB1 TYR 16 -17.024 -10.980 -9.002 106 HD1 TYR 16 HD1 TYR 16 -18.925 -13.821 -8.036 107 HD2 TYR 16 HD2 TYR 16 -15.966 -12.513 -10.799 108 HE1 TYR 16 HE1 TYR 16 -19.483 -15.704 -9.514 109 HE2 TYR 16 HE2 TYR 16 -16.517 -14.392 -12.286 110 HH TYR 16 HH TYR 16 -19.271 -16.442 -11.726 111 H GLN 17 HN GLN 17 -15.560 -9.690 -8.574 112 HA GLN 17 HA GLN 17 -13.242 -10.216 -10.250 113 1HB GLN 17 HB2 GLN 17 -15.328 -8.123 -10.093 114 2HB GLN 17 HB1 GLN 17 -13.743 -7.591 -10.639 115 1HG GLN 17 HG2 GLN 17 -14.406 -10.002 -11.994 116 2HG GLN 17 HG1 GLN 17 -15.769 -8.888 -12.115 117 1HE2 GLN 17 HE21 GLN 17 -15.666 -7.288 -13.545 118 2HE2 GLN 17 HE22 GLN 17 -14.267 -6.849 -14.457 119 H GLN 18 HN GLN 18 -12.413 -10.526 -7.753 120 HA GLN 18 HA GLN 18 -11.521 -8.163 -6.455 121 1HB GLN 18 HB2 GLN 18 -11.380 -11.016 -6.024 122 2HB GLN 18 HB1 GLN 18 -9.820 -10.273 -5.700 123 1HG GLN 18 HG2 GLN 18 -11.732 -8.623 -4.489 124 2HG GLN 18 HG1 GLN 18 -12.204 -10.276 -4.115 125 1HE2 GLN 18 HE21 GLN 18 -9.475 -8.039 -4.038 126 2HE2 GLN 18 HE22 GLN 18 -8.700 -8.751 -2.668 127 H LYS 19 HN LYS 19 -10.358 -9.932 -9.157 128 HA LYS 19 HA LYS 19 -7.619 -9.516 -9.045 129 1HB LYS 19 HB2 LYS 19 -9.246 -10.683 -10.829 130 2HB LYS 19 HB1 LYS 19 -8.931 -9.180 -11.686 131 1HG LYS 19 HG2 LYS 19 -6.947 -9.912 -12.339 132 2HG LYS 19 HG1 LYS 19 -6.471 -10.236 -10.673 133 1HD LYS 19 HD2 LYS 19 -7.606 -12.415 -10.788 134 2HD LYS 19 HD1 LYS 19 -8.040 -12.091 -12.467 135 1HE LYS 19 HE2 LYS 19 -5.182 -11.809 -11.816 136 2HE LYS 19 HE1 LYS 19 -5.829 -13.444 -11.694 137 1HZ LYS 19 HZ1 LYS 19 -6.739 -13.102 -13.982 138 2HZ LYS 19 HZ2 LYS 19 -5.050 -13.162 -13.890 139 3HZ LYS 19 HZ3 LYS 19 -5.835 -11.674 -14.071 140 H GLN 20 HN GLN 20 -10.143 -7.235 -9.553 141 HA GLN 20 HA GLN 20 -8.487 -5.239 -10.800 142 1HB GLN 20 HB2 GLN 20 -11.300 -5.348 -9.784 143 2HB GLN 20 HB1 GLN 20 -10.561 -3.782 -10.080 144 1HG GLN 20 HG2 GLN 20 -10.139 -5.576 -12.302 145 2HG GLN 20 HG1 GLN 20 -11.852 -5.410 -11.922 146 1HE2 GLN 20 HE21 GLN 20 -8.948 -3.726 -12.881 147 2HE2 GLN 20 HE22 GLN 20 -9.731 -2.305 -13.470 148 H ARG 21 HN ARG 21 -9.933 -5.697 -7.586 149 HA ARG 21 HA ARG 21 -8.990 -3.405 -6.341 150 1HB ARG 21 HB2 ARG 21 -9.541 -6.158 -5.261 151 2HB ARG 21 HB1 ARG 21 -9.115 -4.799 -4.227 152 1HG ARG 21 HG2 ARG 21 -11.081 -3.596 -5.392 153 2HG ARG 21 HG1 ARG 21 -11.580 -5.222 -5.863 154 1HD ARG 21 HD2 ARG 21 -10.883 -4.739 -3.015 155 2HD ARG 21 HD1 ARG 21 -12.410 -4.093 -3.616 156 HE ARG 21 HE ARG 21 -11.838 -6.901 -4.128 157 1HH1 ARG 21 HH11 ARG 21 -13.581 -4.530 -2.248 158 2HH1 ARG 21 HH12 ARG 21 -14.751 -5.669 -1.673 159 1HH2 ARG 21 HH21 ARG 21 -13.376 -8.396 -3.367 160 2HH2 ARG 21 HH22 ARG 21 -14.634 -7.859 -2.306 161 H GLN 22 HN GLN 22 -7.486 -6.640 -6.199 162 HA GLN 22 HA GLN 22 -5.108 -5.708 -4.980 163 1HB GLN 22 HB2 GLN 22 -6.199 -8.181 -5.517 164 2HB GLN 22 HB1 GLN 22 -4.814 -8.131 -6.597 165 1HG GLN 22 HG2 GLN 22 -3.408 -8.497 -4.928 166 2HG GLN 22 HG1 GLN 22 -4.091 -7.174 -3.984 167 1HE2 GLN 22 HE21 GLN 22 -3.165 -9.900 -3.245 168 2HE2 GLN 22 HE22 GLN 22 -4.493 -10.610 -2.398 169 H ALA 23 HN ALA 23 -6.248 -5.537 -8.183 170 HA ALA 23 HA ALA 23 -3.769 -5.625 -9.564 171 1HB ALA 23 HB1 ALA 23 -5.457 -4.043 -11.094 172 2HB ALA 23 HB2 ALA 23 -6.543 -5.118 -10.217 173 3HB ALA 23 HB3 ALA 23 -5.254 -5.791 -11.212 174 H LEU 24 HN LEU 24 -5.872 -2.764 -9.196 175 HA LEU 24 HA LEU 24 -3.795 -0.928 -9.663 176 1HB LEU 24 HB2 LEU 24 -6.585 -0.802 -8.706 177 2HB LEU 24 HB1 LEU 24 -5.582 0.582 -8.334 178 HG LEU 24 HG LEU 24 -6.806 1.002 -10.364 179 1HD1 LEU 24 HD11 LEU 24 -4.563 1.908 -10.315 180 2HD1 LEU 24 HD12 LEU 24 -4.966 1.393 -11.951 181 3HD1 LEU 24 HD13 LEU 24 -3.911 0.398 -10.950 182 1HD2 LEU 24 HD21 LEU 24 -5.551 -1.525 -11.416 183 2HD2 LEU 24 HD22 LEU 24 -6.598 -0.427 -12.319 184 3HD2 LEU 24 HD23 LEU 24 -7.241 -1.329 -10.947 185 H GLY 25 HN GLY 25 -4.996 -2.432 -6.724 186 1HA GLY 25 HA2 GLY 25 -3.775 -0.715 -4.855 187 2HA GLY 25 HA1 GLY 25 -4.164 -2.411 -4.576 188 H GLU 26 HN GLU 26 -2.581 -3.494 -6.661 189 HA GLU 26 HA GLU 26 -0.115 -3.828 -5.382 190 1HB GLU 26 HB2 GLU 26 -1.306 -4.605 -7.958 191 2HB GLU 26 HB1 GLU 26 0.443 -4.438 -8.001 192 1HG GLU 26 HG2 GLU 26 0.745 -6.093 -6.355 193 2HG GLU 26 HG1 GLU 26 -0.964 -6.078 -5.920 194 H GLN 27 HN GLN 27 -1.256 -1.483 -7.706 195 HA GLN 27 HA GLN 27 1.244 -0.489 -8.542 196 1HB GLN 27 HB2 GLN 27 -1.542 0.284 -8.805 197 2HB GLN 27 HB1 GLN 27 -0.491 1.679 -8.623 198 1HG GLN 27 HG2 GLN 27 0.914 0.707 -10.474 199 2HG GLN 27 HG1 GLN 27 -0.387 -0.456 -10.731 200 1HE2 GLN 27 HE21 GLN 27 -1.169 0.166 -12.648 201 2HE2 GLN 27 HE22 GLN 27 -1.803 1.734 -12.996 202 H LEU 28 HN LEU 28 -0.664 -0.006 -5.685 203 HA LEU 28 HA LEU 28 0.482 2.370 -4.733 204 1HB LEU 28 HB2 LEU 28 -1.497 0.915 -3.814 205 2HB LEU 28 HB1 LEU 28 -0.237 0.123 -2.884 206 HG LEU 28 HG LEU 28 0.391 2.395 -1.988 207 1HD1 LEU 28 HD11 LEU 28 -2.310 3.275 -2.919 208 2HD1 LEU 28 HD12 LEU 28 -0.876 3.524 -3.913 209 3HD1 LEU 28 HD13 LEU 28 -0.968 4.239 -2.307 210 1HD2 LEU 28 HD21 LEU 28 -0.766 1.712 -0.222 211 2HD2 LEU 28 HD22 LEU 28 -1.715 0.643 -1.254 212 3HD2 LEU 28 HD23 LEU 28 -2.260 2.294 -0.957 213 H TYR 29 HN TYR 29 1.495 -0.977 -4.596 214 HA TYR 29 HA TYR 29 3.773 -0.455 -2.911 215 1HB TYR 29 HB2 TYR 29 2.734 -2.627 -2.782 216 2HB TYR 29 HB1 TYR 29 2.967 -2.890 -4.506 217 HD1 TYR 29 HD1 TYR 29 5.166 -1.874 -1.642 218 HD2 TYR 29 HD2 TYR 29 4.570 -4.460 -4.967 219 HE1 TYR 29 HE1 TYR 29 7.334 -2.951 -1.188 220 HE2 TYR 29 HE2 TYR 29 6.730 -5.543 -4.519 221 HH TYR 29 HH TYR 29 8.219 -5.823 -2.295 222 H LYS 30 HN LYS 30 3.269 -1.077 -6.381 223 HA LYS 30 HA LYS 30 5.950 -1.145 -7.155 224 1HB LYS 30 HB2 LYS 30 3.704 0.043 -8.789 225 2HB LYS 30 HB1 LYS 30 5.206 -0.639 -9.391 226 1HG LYS 30 HG2 LYS 30 4.494 -2.789 -9.145 227 2HG LYS 30 HG1 LYS 30 3.425 -2.401 -7.795 228 1HD LYS 30 HD2 LYS 30 1.779 -2.595 -9.314 229 2HD LYS 30 HD1 LYS 30 2.284 -0.984 -9.822 230 1HE LYS 30 HE2 LYS 30 2.026 -2.685 -11.657 231 2HE LYS 30 HE1 LYS 30 3.571 -1.839 -11.601 232 1HZ LYS 30 HZ1 LYS 30 4.676 -3.708 -11.017 233 2HZ LYS 30 HZ2 LYS 30 3.397 -4.450 -11.839 234 3HZ LYS 30 HZ3 LYS 30 3.378 -4.362 -10.150 235 H LYS 31 HN LYS 31 3.764 1.595 -6.742 236 HA LYS 31 HA LYS 31 5.432 3.613 -7.748 237 1HB LYS 31 HB2 LYS 31 2.911 3.618 -6.983 238 2HB LYS 31 HB1 LYS 31 3.599 4.167 -5.462 239 1HG LYS 31 HG2 LYS 31 4.115 6.204 -6.269 240 2HG LYS 31 HG1 LYS 31 4.535 5.583 -7.867 241 1HD LYS 31 HD2 LYS 31 1.823 5.131 -7.714 242 2HD LYS 31 HD1 LYS 31 2.015 6.675 -6.881 243 1HE LYS 31 HE2 LYS 31 2.950 7.703 -8.763 244 2HE LYS 31 HE1 LYS 31 3.308 6.162 -9.540 245 1HZ LYS 31 HZ1 LYS 31 0.990 5.809 -9.932 246 2HZ LYS 31 HZ2 LYS 31 1.394 7.343 -10.519 247 3HZ LYS 31 HZ3 LYS 31 0.566 7.191 -9.051 248 H VAL 32 HN VAL 32 5.257 2.154 -4.541 249 HA VAL 32 HA VAL 32 7.127 4.060 -3.427 250 HB VAL 32 HB VAL 32 7.095 2.589 -1.429 251 1HG1 VAL 32 HG11 VAL 32 4.254 3.067 -2.186 252 2HG1 VAL 32 HG12 VAL 32 5.360 4.434 -2.061 253 3HG1 VAL 32 HG13 VAL 32 5.078 3.395 -0.663 254 1HG2 VAL 32 HG21 VAL 32 4.974 1.024 -2.861 255 2HG2 VAL 32 HG22 VAL 32 5.663 0.717 -1.268 256 3HG2 VAL 32 HG23 VAL 32 6.644 0.490 -2.705 257 H SER 33 HN SER 33 7.196 0.675 -4.531 258 HA SER 33 HA SER 33 9.961 0.324 -3.890 259 1HB SER 33 HB2 SER 33 9.733 -1.845 -4.724 260 2HB SER 33 HB1 SER 33 8.105 -1.482 -4.156 261 HG SER 33 HG SER 33 7.753 -0.764 -6.425 262 H ALA 34 HN ALA 34 8.612 2.281 -6.106 263 HA ALA 34 HA ALA 34 9.857 1.696 -8.530 264 1HB ALA 34 HB1 ALA 34 9.729 4.512 -8.272 265 2HB ALA 34 HB2 ALA 34 8.326 3.833 -7.447 266 3HB ALA 34 HB3 ALA 34 8.631 3.437 -9.137 267 H LYS 35 HN LYS 35 11.343 2.452 -5.625 268 HA LYS 35 HA LYS 35 13.669 3.671 -6.934 269 1HB LYS 35 HB2 LYS 35 12.709 3.571 -4.090 270 2HB LYS 35 HB1 LYS 35 14.390 3.931 -4.451 271 1HG LYS 35 HG2 LYS 35 13.802 5.901 -5.637 272 2HG LYS 35 HG1 LYS 35 12.088 5.479 -5.606 273 1HD LYS 35 HD2 LYS 35 12.451 7.152 -3.939 274 2HD LYS 35 HD1 LYS 35 12.187 5.618 -3.108 275 1HE LYS 35 HE2 LYS 35 14.011 6.667 -2.019 276 2HE LYS 35 HE1 LYS 35 14.691 5.373 -3.005 277 1HZ LYS 35 HZ1 LYS 35 15.448 6.913 -4.597 278 2HZ LYS 35 HZ2 LYS 35 15.877 7.572 -3.099 279 3HZ LYS 35 HZ3 LYS 35 14.541 8.181 -3.940 280 H THR 36 HN THR 36 12.513 0.762 -5.526 281 HA THR 36 HA THR 36 14.702 -0.771 -6.335 282 HB THR 36 HB THR 36 16.036 0.172 -4.627 283 HG1 THR 36 HG1 THR 36 16.065 -2.129 -4.670 284 1HG2 THR 36 HG21 THR 36 13.574 0.082 -2.992 285 2HG2 THR 36 HG22 THR 36 14.839 1.309 -3.084 286 3HG2 THR 36 HG23 THR 36 15.112 -0.173 -2.167 287 H SER 37 HN SER 37 14.560 -3.038 -5.557 288 HA SER 37 HA SER 37 11.767 -3.771 -5.218 289 1HB SER 37 HB2 SER 37 12.610 -6.096 -5.640 290 2HB SER 37 HB1 SER 37 12.965 -4.959 -6.941 291 HG SER 37 HG SER 37 15.034 -5.108 -6.522 292 H ASN 38 HN ASN 38 12.941 -2.580 -2.968 293 HA ASN 38 HA ASN 38 13.662 -4.641 -1.081 294 1HB ASN 38 HB2 ASN 38 13.666 -1.735 -1.132 295 2HB ASN 38 HB1 ASN 38 13.004 -2.361 0.375 296 1HD2 ASN 38 HD21 ASN 38 15.814 -1.909 -1.521 297 2HD2 ASN 38 HD22 ASN 38 16.947 -2.570 -0.398 298 H GLU 39 HN GLU 39 12.026 -6.060 -0.720 299 HA GLU 39 HA GLU 39 9.298 -5.426 -0.673 300 1HB GLU 39 HB2 GLU 39 10.922 -7.749 0.252 301 2HB GLU 39 HB1 GLU 39 9.238 -7.648 0.743 302 1HG GLU 39 HG2 GLU 39 8.521 -7.597 -1.553 303 2HG GLU 39 HG1 GLU 39 10.193 -7.552 -2.107 304 H GLU 40 HN GLU 40 11.727 -5.275 1.819 305 HA GLU 40 HA GLU 40 9.784 -4.968 3.939 306 1HB GLU 40 HB2 GLU 40 12.795 -4.764 3.873 307 2HB GLU 40 HB1 GLU 40 11.846 -4.468 5.322 308 1HG GLU 40 HG2 GLU 40 11.978 -7.040 3.764 309 2HG GLU 40 HG1 GLU 40 12.715 -6.718 5.334 310 H ALA 41 HN ALA 41 11.622 -2.942 1.816 311 HA ALA 41 HA ALA 41 11.280 -0.526 3.355 312 1HB ALA 41 HB1 ALA 41 13.198 -0.947 1.816 313 2HB ALA 41 HB2 ALA 41 12.354 0.576 1.574 314 3HB ALA 41 HB3 ALA 41 12.070 -0.757 0.472 315 H ALA 42 HN ALA 42 10.269 -1.261 0.037 316 HA ALA 42 HA ALA 42 8.324 0.736 -0.093 317 1HB ALA 42 HB1 ALA 42 8.855 0.097 -2.192 318 2HB ALA 42 HB2 ALA 42 7.478 -0.983 -1.978 319 3HB ALA 42 HB3 ALA 42 9.116 -1.586 -1.732 320 H GLY 43 HN GLY 43 8.108 -2.672 0.831 321 1HA GLY 43 HA2 GLY 43 5.280 -2.795 0.925 322 2HA GLY 43 HA1 GLY 43 6.387 -3.882 1.753 323 H LYS 44 HN LYS 44 7.676 -1.563 3.116 324 HA LYS 44 HA LYS 44 6.048 -1.569 5.455 325 1HB LYS 44 HB2 LYS 44 8.704 -1.040 4.897 326 2HB LYS 44 HB1 LYS 44 8.072 0.535 5.344 327 1HG LYS 44 HG2 LYS 44 7.634 -1.907 7.029 328 2HG LYS 44 HG1 LYS 44 9.057 -0.877 7.197 329 1HD LYS 44 HD2 LYS 44 7.905 0.579 8.418 330 2HD LYS 44 HD1 LYS 44 6.708 0.756 7.135 331 1HE LYS 44 HE2 LYS 44 6.136 -1.708 8.288 332 2HE LYS 44 HE1 LYS 44 6.531 -0.665 9.653 333 1HZ LYS 44 HZ1 LYS 44 4.120 -0.793 8.491 334 2HZ LYS 44 HZ2 LYS 44 4.791 0.531 7.679 335 3HZ LYS 44 HZ3 LYS 44 4.683 0.541 9.367 336 H ILE 45 HN ILE 45 7.148 1.137 3.417 337 HA ILE 45 HA ILE 45 5.396 3.028 4.496 338 HB ILE 45 HB ILE 45 5.776 4.293 2.347 339 1HG1 ILE 45 HG12 ILE 45 7.594 1.950 1.772 340 2HG1 ILE 45 HG11 ILE 45 6.158 2.397 0.855 341 1HG2 ILE 45 HG21 ILE 45 7.201 4.282 4.502 342 2HG2 ILE 45 HG22 ILE 45 7.861 5.023 3.044 343 3HG2 ILE 45 HG23 ILE 45 8.377 3.407 3.521 344 1HD1 ILE 45 HD11 ILE 45 7.204 4.100 -0.202 345 2HD1 ILE 45 HD12 ILE 45 8.617 3.098 0.136 346 3HD1 ILE 45 HD13 ILE 45 8.236 4.473 1.179 347 H THR 46 HN THR 46 4.945 0.651 1.961 348 HA THR 46 HA THR 46 2.617 1.705 0.791 349 HB THR 46 HB THR 46 3.513 -1.169 1.123 350 HG1 THR 46 HG1 THR 46 3.725 0.726 -0.959 351 1HG2 THR 46 HG21 THR 46 1.612 -0.343 -1.009 352 2HG2 THR 46 HG22 THR 46 0.988 -0.717 0.596 353 3HG2 THR 46 HG23 THR 46 1.893 -1.932 -0.301 354 H GLY 47 HN GLY 47 3.191 -0.128 3.717 355 1HA GLY 47 HA2 GLY 47 0.541 -0.861 4.293 356 2HA GLY 47 HA1 GLY 47 1.827 -0.668 5.477 357 H MET 48 HN MET 48 2.349 2.102 4.911 358 HA MET 48 HA MET 48 0.425 3.289 6.620 359 1HB MET 48 HB2 MET 48 2.749 4.301 5.027 360 2HB MET 48 HB1 MET 48 1.608 5.459 5.696 361 1HG MET 48 HG2 MET 48 2.151 4.943 7.876 362 2HG MET 48 HG1 MET 48 2.792 3.357 7.449 363 1HE MET 48 HE1 MET 48 4.851 2.792 6.632 364 2HE MET 48 HE2 MET 48 5.590 3.310 8.147 365 3HE MET 48 HE3 MET 48 6.319 3.770 6.608 366 H ILE 49 HN ILE 49 1.099 3.659 3.139 367 HA ILE 49 HA ILE 49 -1.204 5.290 2.672 368 HB ILE 49 HB ILE 49 0.379 3.699 0.648 369 1HG1 ILE 49 HG12 ILE 49 0.941 6.532 0.694 370 2HG1 ILE 49 HG11 ILE 49 1.257 5.824 2.276 371 1HG2 ILE 49 HG21 ILE 49 -1.657 5.881 0.462 372 2HG2 ILE 49 HG22 ILE 49 -1.558 4.364 -0.434 373 3HG2 ILE 49 HG23 ILE 49 -0.443 5.680 -0.800 374 1HD1 ILE 49 HD11 ILE 49 2.940 5.827 0.080 375 2HD1 ILE 49 HD12 ILE 49 2.317 4.179 0.157 376 3HD1 ILE 49 HD13 ILE 49 3.127 4.882 1.557 377 H LEU 50 HN LEU 50 -0.923 2.123 3.485 378 HA LEU 50 HA LEU 50 -2.883 0.950 1.745 379 1HB LEU 50 HB2 LEU 50 -0.930 -0.052 3.357 380 2HB LEU 50 HB1 LEU 50 -2.353 -0.351 4.333 381 HG LEU 50 HG LEU 50 -1.752 -2.285 2.943 382 1HD1 LEU 50 HD11 LEU 50 -4.322 -1.078 1.955 383 2HD1 LEU 50 HD12 LEU 50 -4.124 -1.728 3.583 384 3HD1 LEU 50 HD13 LEU 50 -3.933 -2.784 2.183 385 1HD2 LEU 50 HD21 LEU 50 -0.922 -0.693 1.059 386 2HD2 LEU 50 HD22 LEU 50 -2.594 -0.778 0.508 387 3HD2 LEU 50 HD23 LEU 50 -1.635 -2.252 0.640 388 H ASP 51 HN ASP 51 -3.389 3.325 3.756 389 HA ASP 51 HA ASP 51 -5.525 2.282 5.385 390 1HB ASP 51 HB2 ASP 51 -3.866 4.412 5.657 391 2HB ASP 51 HB1 ASP 51 -5.294 5.205 5.001 392 H LEU 52 HN LEU 52 -5.197 3.422 2.184 393 HA LEU 52 HA LEU 52 -7.896 4.412 1.946 394 1HB LEU 52 HB2 LEU 52 -5.576 4.049 0.095 395 2HB LEU 52 HB1 LEU 52 -7.176 4.318 -0.566 396 HG LEU 52 HG LEU 52 -7.313 6.459 0.647 397 1HD1 LEU 52 HD11 LEU 52 -4.574 6.873 1.262 398 2HD1 LEU 52 HD12 LEU 52 -5.099 5.407 2.084 399 3HD1 LEU 52 HD13 LEU 52 -5.964 6.919 2.345 400 1HD2 LEU 52 HD21 LEU 52 -5.276 7.504 -0.613 401 2HD2 LEU 52 HD22 LEU 52 -6.617 6.795 -1.514 402 3HD2 LEU 52 HD23 LEU 52 -5.125 5.881 -1.284 403 HA PRO 53 HA PRO 53 -9.973 0.567 1.183 404 1HB PRO 53 HB2 PRO 53 -11.438 2.057 -0.919 405 2HB PRO 53 HB1 PRO 53 -12.064 1.142 0.453 406 1HG PRO 53 HG2 PRO 53 -12.043 3.843 0.391 407 2HG PRO 53 HG1 PRO 53 -11.887 2.913 1.892 408 1HD PRO 53 HD2 PRO 53 -9.847 4.449 0.402 409 2HD PRO 53 HD1 PRO 53 -9.916 4.029 2.122 410 HA PRO 54 HA PRO 54 -8.286 -1.435 -2.363 411 1HB PRO 54 HB2 PRO 54 -10.495 -2.575 -3.578 412 2HB PRO 54 HB1 PRO 54 -9.624 -3.264 -2.204 413 1HG PRO 54 HG2 PRO 54 -12.141 -1.654 -2.239 414 2HG PRO 54 HG1 PRO 54 -11.728 -3.069 -1.254 415 1HD PRO 54 HD2 PRO 54 -11.657 -0.593 -0.242 416 2HD PRO 54 HD1 PRO 54 -10.455 -1.815 0.227 417 H GLN 55 HN GLN 55 -11.462 -0.281 -3.525 418 HA GLN 55 HA GLN 55 -10.341 0.455 -6.068 419 1HB GLN 55 HB2 GLN 55 -13.079 1.089 -4.953 420 2HB GLN 55 HB1 GLN 55 -12.580 1.240 -6.631 421 1HG GLN 55 HG2 GLN 55 -13.060 -0.879 -7.035 422 2HG GLN 55 HG1 GLN 55 -12.070 -1.421 -5.681 423 1HE2 GLN 55 HE21 GLN 55 -13.040 -2.117 -3.870 424 2HE2 GLN 55 HE22 GLN 55 -14.746 -2.118 -3.603 425 H GLU 56 HN GLU 56 -11.347 2.134 -3.154 426 HA GLU 56 HA GLU 56 -11.210 4.759 -4.140 427 1HB GLU 56 HB2 GLU 56 -12.011 3.659 -1.806 428 2HB GLU 56 HB1 GLU 56 -10.461 4.331 -1.317 429 1HG GLU 56 HG2 GLU 56 -12.207 6.116 -2.878 430 2HG GLU 56 HG1 GLU 56 -12.772 5.691 -1.262 431 H VAL 57 HN VAL 57 -8.712 2.524 -3.380 432 HA VAL 57 HA VAL 57 -6.727 4.592 -2.955 433 HB VAL 57 HB VAL 57 -6.606 2.427 -1.731 434 1HG1 VAL 57 HG11 VAL 57 -7.004 0.590 -2.949 435 2HG1 VAL 57 HG12 VAL 57 -5.297 0.697 -3.372 436 3HG1 VAL 57 HG13 VAL 57 -6.517 1.360 -4.457 437 1HG2 VAL 57 HG21 VAL 57 -4.135 2.684 -3.379 438 2HG2 VAL 57 HG22 VAL 57 -4.303 2.418 -1.647 439 3HG2 VAL 57 HG23 VAL 57 -4.648 4.005 -2.332 440 H PHE 58 HN PHE 58 -7.889 2.559 -5.525 441 HA PHE 58 HA PHE 58 -5.934 2.422 -7.380 442 1HB PHE 58 HB2 PHE 58 -8.818 3.195 -7.816 443 2HB PHE 58 HB1 PHE 58 -7.712 2.852 -9.137 444 HD1 PHE 58 HD1 PHE 58 -9.580 1.229 -9.685 445 HD2 PHE 58 HD2 PHE 58 -7.032 0.808 -6.306 446 HE1 PHE 58 HE1 PHE 58 -10.176 -1.147 -9.549 447 HE2 PHE 58 HE2 PHE 58 -7.629 -1.579 -6.159 448 HZ PHE 58 HZ PHE 58 -9.203 -2.551 -7.790 449 HA PRO 59 HA PRO 59 -6.840 6.969 -8.978 450 1HB PRO 59 HB2 PRO 59 -7.702 8.642 -6.954 451 2HB PRO 59 HB1 PRO 59 -8.739 7.926 -8.190 452 1HG PRO 59 HG2 PRO 59 -8.244 7.034 -5.381 453 2HG PRO 59 HG1 PRO 59 -9.762 7.065 -6.299 454 1HD PRO 59 HD2 PRO 59 -8.419 4.790 -5.927 455 2HD PRO 59 HD1 PRO 59 -9.246 5.121 -7.459 456 H LEU 60 HN LEU 60 -6.045 6.759 -5.503 457 HA LEU 60 HA LEU 60 -4.041 8.745 -5.597 458 1HB LEU 60 HB2 LEU 60 -4.861 8.334 -3.466 459 2HB LEU 60 HB1 LEU 60 -4.782 6.595 -3.657 460 HG LEU 60 HG LEU 60 -2.119 7.618 -3.787 461 1HD1 LEU 60 HD11 LEU 60 -1.848 8.674 -1.680 462 2HD1 LEU 60 HD12 LEU 60 -3.559 8.480 -1.298 463 3HD1 LEU 60 HD13 LEU 60 -3.058 9.564 -2.592 464 1HD2 LEU 60 HD21 LEU 60 -1.782 5.757 -2.643 465 2HD2 LEU 60 HD22 LEU 60 -3.521 5.483 -2.678 466 3HD2 LEU 60 HD23 LEU 60 -2.785 6.316 -1.309 467 H LEU 61 HN LEU 61 -3.842 5.192 -5.686 468 HA LEU 61 HA LEU 61 -1.038 5.093 -5.864 469 1HB LEU 61 HB2 LEU 61 -1.420 2.769 -6.774 470 2HB LEU 61 HB1 LEU 61 -2.099 3.112 -5.199 471 HG LEU 61 HG LEU 61 -4.248 3.654 -6.689 472 1HD1 LEU 61 HD11 LEU 61 -2.456 2.092 -8.406 473 2HD1 LEU 61 HD12 LEU 61 -3.807 3.142 -8.828 474 3HD1 LEU 61 HD13 LEU 61 -4.109 1.494 -8.285 475 1HD2 LEU 61 HD21 LEU 61 -4.632 1.023 -6.409 476 2HD2 LEU 61 HD22 LEU 61 -4.687 2.151 -5.059 477 3HD2 LEU 61 HD23 LEU 61 -3.223 1.222 -5.366 478 H GLU 62 HN GLU 62 -3.318 6.068 -8.200 479 HA GLU 62 HA GLU 62 -1.461 5.454 -10.389 480 1HB GLU 62 HB2 GLU 62 -3.287 5.812 -11.912 481 2HB GLU 62 HB1 GLU 62 -3.818 4.712 -10.649 482 1HG GLU 62 HG2 GLU 62 -5.185 6.316 -9.662 483 2HG GLU 62 HG1 GLU 62 -4.364 7.649 -10.465 484 H SER 63 HN SER 63 -2.530 8.005 -8.409 485 HA SER 63 HA SER 63 -1.727 10.038 -10.358 486 1HB SER 63 HB2 SER 63 -3.425 10.037 -7.916 487 2HB SER 63 HB1 SER 63 -2.546 11.518 -8.290 488 HG SER 63 HG SER 63 -4.146 11.870 -9.604 489 H ASP 64 HN ASP 64 0.310 10.691 -10.335 490 HA ASP 64 HA ASP 64 2.218 9.991 -8.432 491 1HB ASP 64 HB2 ASP 64 2.139 11.496 -10.861 492 2HB ASP 64 HB1 ASP 64 3.056 12.412 -9.671 493 H GLU 65 HN GLU 65 0.645 13.163 -8.898 494 HA GLU 65 HA GLU 65 1.850 14.423 -6.715 495 1HB GLU 65 HB2 GLU 65 -0.173 15.968 -6.829 496 2HB GLU 65 HB1 GLU 65 0.807 15.825 -8.281 497 1HG GLU 65 HG2 GLU 65 -0.954 15.209 -9.455 498 2HG GLU 65 HG1 GLU 65 -1.258 13.860 -8.365 499 H LEU 66 HN LEU 66 -1.294 12.768 -6.912 500 HA LEU 66 HA LEU 66 -2.065 13.185 -4.248 501 1HB LEU 66 HB2 LEU 66 -3.135 11.933 -6.483 502 2HB LEU 66 HB1 LEU 66 -2.931 10.622 -5.338 503 HG LEU 66 HG LEU 66 -5.189 11.731 -5.337 504 1HD1 LEU 66 HD11 LEU 66 -5.499 11.317 -3.113 505 2HD1 LEU 66 HD12 LEU 66 -3.978 12.078 -2.643 506 3HD1 LEU 66 HD13 LEU 66 -3.972 10.484 -3.397 507 1HD2 LEU 66 HD21 LEU 66 -3.958 13.938 -3.752 508 2HD2 LEU 66 HD22 LEU 66 -5.518 13.877 -4.572 509 3HD2 LEU 66 HD23 LEU 66 -4.037 14.058 -5.508 510 H PHE 67 HN PHE 67 0.215 11.013 -5.667 511 HA PHE 67 HA PHE 67 0.302 9.194 -3.435 512 1HB PHE 67 HB2 PHE 67 0.939 8.759 -5.943 513 2HB PHE 67 HB1 PHE 67 2.509 9.389 -5.450 514 HD1 PHE 67 HD1 PHE 67 4.024 8.052 -4.203 515 HD2 PHE 67 HD2 PHE 67 0.007 6.767 -4.789 516 HE1 PHE 67 HE1 PHE 67 4.598 5.843 -3.290 517 HE2 PHE 67 HE2 PHE 67 0.587 4.561 -3.878 518 HZ PHE 67 HZ PHE 67 2.874 4.096 -3.127 519 H GLU 68 HN GLU 68 2.561 11.610 -4.768 520 HA GLU 68 HA GLU 68 4.630 11.472 -3.031 521 1HB GLU 68 HB2 GLU 68 3.336 14.017 -4.027 522 2HB GLU 68 HB1 GLU 68 4.961 13.900 -3.364 523 1HG GLU 68 HG2 GLU 68 5.200 12.074 -5.267 524 2HG GLU 68 HG1 GLU 68 3.911 13.033 -5.994 525 H GLN 69 HN GLN 69 1.610 13.257 -2.421 526 HA GLN 69 HA GLN 69 2.273 14.312 0.070 527 1HB GLN 69 HB2 GLN 69 0.158 14.610 -1.485 528 2HB GLN 69 HB1 GLN 69 -0.516 13.370 -0.433 529 1HG GLN 69 HG2 GLN 69 0.175 14.862 1.504 530 2HG GLN 69 HG1 GLN 69 0.423 16.122 0.295 531 1HE2 GLN 69 HE21 GLN 69 -1.260 17.138 1.695 532 2HE2 GLN 69 HE22 GLN 69 -2.912 16.850 1.288 533 H HIS 70 HN HIS 70 0.256 11.440 -0.513 534 HA HIS 70 HA HIS 70 0.283 10.577 2.174 535 1HB HIS 70 HB2 HIS 70 -0.536 9.406 -0.419 536 2HB HIS 70 HB1 HIS 70 -0.183 8.255 0.866 537 HD2 HIS 70 HD2 HIS 70 -3.061 10.387 -0.332 538 HE1 HIS 70 HE1 HIS 70 -3.936 9.400 3.703 539 HE2 HIS 70 HE2 HIS 70 -4.858 10.273 1.526 540 H TYR 71 HN TYR 71 2.121 9.389 -0.624 541 HA TYR 71 HA TYR 71 3.699 7.541 0.769 542 1HB TYR 71 HB2 TYR 71 3.693 7.200 -1.508 543 2HB TYR 71 HB1 TYR 71 3.844 8.909 -1.878 544 HD1 TYR 71 HD1 TYR 71 5.929 9.866 -2.346 545 HD2 TYR 71 HD2 TYR 71 5.745 5.944 -0.703 546 HE1 TYR 71 HE1 TYR 71 8.323 9.569 -2.803 547 HE2 TYR 71 HE2 TYR 71 8.144 5.638 -1.155 548 HH TYR 71 HH TYR 71 10.136 6.965 -1.521 549 H LYS 72 HN LYS 72 3.790 10.944 0.863 550 HA LYS 72 HA LYS 72 6.573 11.340 1.249 551 1HB LYS 72 HB2 LYS 72 5.082 13.195 0.680 552 2HB LYS 72 HB1 LYS 72 4.242 13.008 2.211 553 1HG LYS 72 HG2 LYS 72 6.099 13.774 3.437 554 2HG LYS 72 HG1 LYS 72 7.177 13.610 2.048 555 1HD LYS 72 HD2 LYS 72 4.836 15.505 2.108 556 2HD LYS 72 HD1 LYS 72 6.464 15.964 2.612 557 1HE LYS 72 HE2 LYS 72 7.317 15.790 0.469 558 2HE LYS 72 HE1 LYS 72 6.038 14.704 -0.064 559 1HZ LYS 72 HZ1 LYS 72 6.015 17.626 0.177 560 2HZ LYS 72 HZ2 LYS 72 4.560 16.788 0.389 561 3HZ LYS 72 HZ3 LYS 72 5.414 16.645 -1.063 562 H GLU 73 HN GLU 73 3.890 11.282 3.597 563 HA GLU 73 HA GLU 73 5.373 11.412 5.925 564 1HB GLU 73 HB2 GLU 73 2.939 9.655 5.664 565 2HB GLU 73 HB1 GLU 73 3.482 10.547 7.076 566 1HG GLU 73 HG2 GLU 73 3.033 12.654 5.771 567 2HG GLU 73 HG1 GLU 73 2.241 11.634 4.570 568 H ALA 74 HN ALA 74 4.672 8.656 3.872 569 HA ALA 74 HA ALA 74 5.781 6.701 5.621 570 1HB ALA 74 HB1 ALA 74 4.184 6.636 3.413 571 2HB ALA 74 HB2 ALA 74 4.961 5.231 4.143 572 3HB ALA 74 HB3 ALA 74 5.719 6.053 2.776 573 H SER 75 HN SER 75 7.004 8.703 3.024 574 HA SER 75 HA SER 75 9.405 7.358 2.515 575 1HB SER 75 HB2 SER 75 8.826 9.028 0.976 576 2HB SER 75 HB1 SER 75 8.592 10.239 2.238 577 HG SER 75 HG SER 75 10.818 10.284 2.558 578 H ALA 76 HN ALA 76 8.731 10.054 4.744 579 HA ALA 76 HA ALA 76 11.232 10.343 5.883 580 1HB ALA 76 HB1 ALA 76 10.171 11.786 7.214 581 2HB ALA 76 HB2 ALA 76 9.158 10.515 7.900 582 3HB ALA 76 HB3 ALA 76 8.681 11.310 6.400 583 H ALA 77 HN ALA 77 8.726 7.986 6.589 584 HA ALA 77 HA ALA 77 10.192 6.731 8.744 585 1HB ALA 77 HB1 ALA 77 7.732 6.773 8.721 586 2HB ALA 77 HB2 ALA 77 8.367 5.129 8.790 587 3HB ALA 77 HB3 ALA 77 7.741 5.771 7.270 588 H TYR 78 HN TYR 78 10.148 6.593 5.373 589 HA TYR 78 HA TYR 78 10.811 3.921 4.812 590 1HB TYR 78 HB2 TYR 78 10.147 5.869 3.242 591 2HB TYR 78 HB1 TYR 78 11.851 6.292 3.266 592 HD1 TYR 78 HD1 TYR 78 9.932 5.375 0.953 593 HD2 TYR 78 HD2 TYR 78 12.912 3.418 3.267 594 HE1 TYR 78 HE1 TYR 78 10.327 3.804 -0.903 595 HE2 TYR 78 HE2 TYR 78 13.317 1.850 1.441 596 HH TYR 78 HH TYR 78 13.017 1.636 -0.915 597 H GLU 79 HN GLU 79 12.821 6.793 5.316 598 HA GLU 79 HA GLU 79 15.310 5.482 5.081 599 1HB GLU 79 HB2 GLU 79 14.442 8.106 6.252 600 2HB GLU 79 HB1 GLU 79 16.109 7.566 6.389 601 1HG GLU 79 HG2 GLU 79 16.546 8.266 4.344 602 2HG GLU 79 HG1 GLU 79 15.257 7.259 3.689 603 H SER 80 HN SER 80 13.393 6.412 7.926 604 HA SER 80 HA SER 80 15.193 5.601 9.868 605 1HB SER 80 HB2 SER 80 13.244 6.919 10.446 606 2HB SER 80 HB1 SER 80 12.171 5.610 9.950 607 HG SER 80 HG SER 80 14.099 5.036 11.883 608 H PHE 81 HN PHE 81 12.547 3.756 8.370 609 HA PHE 81 HA PHE 81 13.042 1.372 9.793 610 1HB PHE 81 HB2 PHE 81 11.255 2.267 7.722 611 2HB PHE 81 HB1 PHE 81 11.891 0.674 7.319 612 HD1 PHE 81 HD1 PHE 81 11.492 -1.232 8.794 613 HD2 PHE 81 HD2 PHE 81 9.770 2.581 9.567 614 HE1 PHE 81 HE1 PHE 81 9.899 -2.272 10.361 615 HE2 PHE 81 HE2 PHE 81 8.174 1.550 11.133 616 HZ PHE 81 HZ PHE 81 8.238 -0.879 11.531 617 H LYS 82 HN LYS 82 13.978 2.387 6.514 618 HA LYS 82 HA LYS 82 15.330 0.088 5.737 619 1HB LYS 82 HB2 LYS 82 15.295 2.908 4.918 620 2HB LYS 82 HB1 LYS 82 16.797 2.072 4.553 621 1HG LYS 82 HG2 LYS 82 15.265 0.253 3.543 622 2HG LYS 82 HG1 LYS 82 14.041 1.526 3.540 623 1HD LYS 82 HD2 LYS 82 14.961 1.850 1.463 624 2HD LYS 82 HD1 LYS 82 15.985 2.918 2.419 625 1HE LYS 82 HE2 LYS 82 17.658 1.122 2.588 626 2HE LYS 82 HE1 LYS 82 16.632 0.090 1.590 627 1HZ LYS 82 HZ1 LYS 82 16.782 2.024 -0.078 628 2HZ LYS 82 HZ2 LYS 82 18.108 0.985 0.076 629 3HZ LYS 82 HZ3 LYS 82 18.134 2.505 0.818 630 H LYS 83 HN LYS 83 16.757 3.058 7.092 631 HA LYS 83 HA LYS 83 19.333 1.957 7.438 632 1HB LYS 83 HB2 LYS 83 18.115 4.312 8.885 633 2HB LYS 83 HB1 LYS 83 19.830 3.971 8.695 634 1HG LYS 83 HG2 LYS 83 19.170 4.032 6.128 635 2HG LYS 83 HG1 LYS 83 17.884 5.065 6.750 636 1HD LYS 83 HD2 LYS 83 19.608 6.455 7.866 637 2HD LYS 83 HD1 LYS 83 20.851 5.461 7.102 638 1HE LYS 83 HE2 LYS 83 20.765 6.845 5.363 639 2HE LYS 83 HE1 LYS 83 19.158 6.205 5.023 640 1HZ LYS 83 HZ1 LYS 83 19.894 8.792 5.911 641 2HZ LYS 83 HZ2 LYS 83 18.822 8.088 7.014 642 3HZ LYS 83 HZ3 LYS 83 18.384 8.233 5.387 643 H GLU 84 HN GLU 84 16.488 1.374 9.148 644 HA GLU 84 HA GLU 84 17.585 1.059 11.768 645 1HB GLU 84 HB2 GLU 84 15.049 1.198 10.780 646 2HB GLU 84 HB1 GLU 84 15.199 -0.524 11.077 647 1HG GLU 84 HG2 GLU 84 14.258 0.421 13.018 648 2HG GLU 84 HG1 GLU 84 15.935 0.038 13.406 649 H GLN 85 HN GLN 85 18.073 -0.683 8.976 650 HA GLN 85 HA GLN 85 18.097 -3.314 10.168 651 1HB GLN 85 HB2 GLN 85 18.987 -2.330 7.454 652 2HB GLN 85 HB1 GLN 85 18.997 -4.016 7.951 653 1HG GLN 85 HG2 GLN 85 16.473 -3.557 8.475 654 2HG GLN 85 HG1 GLN 85 16.697 -2.233 7.334 655 1HE2 GLN 85 HE21 GLN 85 15.947 -5.459 7.672 656 2HE2 GLN 85 HE22 GLN 85 16.140 -5.955 6.029 657 H GLU 86 HN GLU 86 19.627 -3.479 11.725 658 HA GLU 86 HA GLU 86 22.324 -2.518 11.248 659 1HB GLU 86 HB2 GLU 86 20.944 -3.783 13.603 660 2HB GLU 86 HB1 GLU 86 22.690 -3.593 13.565 661 1HG GLU 86 HG2 GLU 86 22.147 -1.112 13.036 662 2HG GLU 86 HG1 GLU 86 20.563 -1.508 13.700 663 H GLN 87 HN GLN 87 20.519 -5.390 10.863 664 HA GLN 87 HA GLN 87 22.869 -7.116 10.895 665 1HB GLN 87 HB2 GLN 87 19.975 -7.499 11.083 666 2HB GLN 87 HB1 GLN 87 20.746 -8.649 10.000 667 1HG GLN 87 HG2 GLN 87 22.433 -8.859 12.033 668 2HG GLN 87 HG1 GLN 87 21.013 -8.327 12.932 669 1HE2 GLN 87 HE21 GLN 87 21.748 -10.656 13.690 670 2HE2 GLN 87 HE22 GLN 87 20.821 -11.939 12.998 671 H GLN 88 HN GLN 88 20.404 -5.928 8.651 672 HA GLN 88 HA GLN 88 21.729 -7.173 6.387 673 1HB GLN 88 HB2 GLN 88 19.116 -5.970 6.924 674 2HB GLN 88 HB1 GLN 88 19.775 -5.513 5.359 675 1HG GLN 88 HG2 GLN 88 20.214 -8.250 5.529 676 2HG GLN 88 HG1 GLN 88 18.606 -8.007 6.212 677 1HE2 GLN 88 HE21 GLN 88 20.354 -8.423 3.409 678 2HE2 GLN 88 HE22 GLN 88 19.162 -7.908 2.267 679 H THR 89 HN THR 89 23.707 -6.114 6.251 680 HA THR 89 HA THR 89 23.666 -3.214 5.862 681 HB THR 89 HB THR 89 25.307 -3.963 7.447 682 HG1 THR 89 HG1 THR 89 26.592 -3.368 4.991 683 1HG2 THR 89 HG21 THR 89 25.890 -6.036 5.440 684 2HG2 THR 89 HG22 THR 89 25.969 -6.096 7.200 685 3HG2 THR 89 HG23 THR 89 27.276 -5.347 6.283 686 H GLU 90 HN GLU 90 22.775 -3.151 3.777 687 HA GLU 90 HA GLU 90 23.776 -4.624 1.582 688 1HB GLU 90 HB2 GLU 90 21.685 -2.797 2.045 689 2HB GLU 90 HB1 GLU 90 22.669 -2.083 0.773 690 1HG GLU 90 HG2 GLU 90 22.498 -4.601 -0.142 691 2HG GLU 90 HG1 GLU 90 20.973 -4.490 0.736 692 H GLN 91 HN GLN 91 24.360 -2.975 -0.445 693 HA GLN 91 HA GLN 91 27.058 -2.227 0.103 694 1HB GLN 91 HB2 GLN 91 25.442 -1.596 -2.368 695 2HB GLN 91 HB1 GLN 91 27.193 -1.649 -2.231 696 1HG GLN 91 HG2 GLN 91 27.158 -3.769 -2.841 697 2HG GLN 91 HG1 GLN 91 26.238 -4.161 -1.390 698 1HE2 GLN 91 HE21 GLN 91 25.510 -5.850 -2.996 699 2HE2 GLN 91 HE22 GLN 91 24.110 -5.475 -3.936 700 H ALA 92 HN ALA 92 24.044 -0.465 -0.410 701 HA ALA 92 HA ALA 92 25.403 2.099 -0.169 702 1HB ALA 92 HB1 ALA 92 23.152 1.273 -1.539 703 2HB ALA 92 HB2 ALA 92 23.671 2.939 -1.290 704 3HB ALA 92 HB3 ALA 92 22.501 2.207 -0.191 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -28.184 -37.383 10.347 2 2H GLY 1 HT2 GLY 1 -27.686 -36.371 9.088 3 3H GLY 1 HT3 GLY 1 -29.323 -36.460 9.502 4 1HA GLY 1 HA1 GLY 1 -27.736 -35.753 11.756 5 2HA GLY 1 HA2 GLY 1 -27.488 -34.634 10.425 6 HA PRO 2 HA PRO 2 -32.329 -34.556 11.253 7 1HB PRO 2 HB2 PRO 2 -32.281 -35.830 13.944 8 2HB PRO 2 HB1 PRO 2 -33.497 -35.943 12.666 9 1HG PRO 2 HG2 PRO 2 -31.830 -37.964 13.136 10 2HG PRO 2 HG1 PRO 2 -32.298 -37.533 11.480 11 1HD PRO 2 HD2 PRO 2 -29.742 -37.003 12.929 12 2HD PRO 2 HD1 PRO 2 -30.012 -37.391 11.219 13 H LEU 3 HN LEU 3 -30.171 -34.495 14.086 14 HA LEU 3 HA LEU 3 -31.430 -32.231 15.275 15 1HB LEU 3 HB2 LEU 3 -29.412 -32.183 16.734 16 2HB LEU 3 HB1 LEU 3 -30.243 -33.727 16.704 17 HG LEU 3 HG LEU 3 -28.046 -33.491 14.763 18 1HD1 LEU 3 HD11 LEU 3 -26.664 -34.142 17.067 19 2HD1 LEU 3 HD12 LEU 3 -27.627 -32.736 17.526 20 3HD1 LEU 3 HD13 LEU 3 -26.531 -32.643 16.146 21 1HD2 LEU 3 HD21 LEU 3 -27.727 -35.679 16.485 22 2HD2 LEU 3 HD22 LEU 3 -28.393 -35.680 14.852 23 3HD2 LEU 3 HD23 LEU 3 -29.464 -35.501 16.241 24 H GLY 4 HN GLY 4 -28.610 -32.686 13.205 25 1HA GLY 4 HA2 GLY 4 -28.261 -29.762 13.123 26 2HA GLY 4 HA1 GLY 4 -27.017 -30.937 12.719 27 H SER 5 HN SER 5 -29.280 -28.833 11.480 28 HA SER 5 HA SER 5 -29.706 -30.309 9.004 29 1HB SER 5 HB2 SER 5 -30.898 -27.947 8.526 30 2HB SER 5 HB1 SER 5 -31.684 -29.247 9.421 31 HG SER 5 HG SER 5 -31.324 -28.206 11.289 32 HA PRO 6 HA PRO 6 -25.903 -28.303 7.533 33 1HB PRO 6 HB2 PRO 6 -26.571 -29.900 5.129 34 2HB PRO 6 HB1 PRO 6 -25.068 -29.835 6.056 35 1HG PRO 6 HG2 PRO 6 -26.678 -31.955 6.209 36 2HG PRO 6 HG1 PRO 6 -25.827 -31.345 7.642 37 1HD PRO 6 HD2 PRO 6 -28.688 -30.975 6.837 38 2HD PRO 6 HD1 PRO 6 -28.002 -31.303 8.439 39 H ARG 7 HN ARG 7 -25.777 -26.399 6.546 40 HA ARG 7 HA ARG 7 -28.015 -25.520 4.887 41 1HB ARG 7 HB2 ARG 7 -25.700 -23.930 6.010 42 2HB ARG 7 HB1 ARG 7 -27.099 -23.266 5.177 43 1HG ARG 7 HG2 ARG 7 -27.562 -24.934 7.592 44 2HG ARG 7 HG1 ARG 7 -26.935 -23.299 7.803 45 1HD ARG 7 HD2 ARG 7 -29.405 -23.424 7.912 46 2HD ARG 7 HD1 ARG 7 -28.814 -22.366 6.636 47 HE ARG 7 HE ARG 7 -29.359 -24.111 5.046 48 1HH1 ARG 7 HH11 ARG 7 -30.742 -24.455 8.242 49 2HH1 ARG 7 HH12 ARG 7 -32.005 -25.510 7.710 50 1HH2 ARG 7 HH21 ARG 7 -31.026 -25.501 4.361 51 2HH2 ARG 7 HH22 ARG 7 -32.165 -26.104 5.518 52 H ASN 8 HN ASN 8 -27.761 -24.739 2.795 53 HA ASN 8 HA ASN 8 -25.549 -25.885 1.346 54 1HB ASN 8 HB2 ASN 8 -28.177 -24.717 0.678 55 2HB ASN 8 HB1 ASN 8 -26.919 -24.487 -0.535 56 1HD2 ASN 8 HD21 ASN 8 -25.587 -26.577 -0.878 57 2HD2 ASN 8 HD22 ASN 8 -26.524 -28.009 -1.113 58 H ALA 9 HN ALA 9 -24.349 -24.636 -0.285 59 HA ALA 9 HA ALA 9 -23.228 -22.274 0.912 60 1HB ALA 9 HB1 ALA 9 -21.806 -22.335 -1.227 61 2HB ALA 9 HB2 ALA 9 -22.589 -23.885 -1.534 62 3HB ALA 9 HB3 ALA 9 -21.629 -23.657 -0.073 63 H ASN 10 HN ASN 10 -24.159 -20.351 0.693 64 HA ASN 10 HA ASN 10 -25.586 -19.748 -1.807 65 1HB ASN 10 HB2 ASN 10 -26.554 -19.573 0.712 66 2HB ASN 10 HB1 ASN 10 -25.912 -17.946 0.517 67 1HD2 ASN 10 HD21 ASN 10 -26.726 -16.637 -1.180 68 2HD2 ASN 10 HD22 ASN 10 -28.292 -16.931 -1.846 69 H ASP 11 HN ASP 11 -23.048 -18.684 0.346 70 HA ASP 11 HA ASP 11 -22.664 -16.161 -0.975 71 1HB ASP 11 HB2 ASP 11 -21.499 -17.580 1.315 72 2HB ASP 11 HB1 ASP 11 -20.333 -16.625 0.405 73 H ASN 12 HN ASN 12 -21.807 -15.978 -2.930 74 HA ASN 12 HA ASN 12 -20.121 -18.088 -3.999 75 1HB ASN 12 HB2 ASN 12 -21.832 -16.017 -5.092 76 2HB ASN 12 HB1 ASN 12 -20.256 -16.018 -5.878 77 1HD2 ASN 12 HD21 ASN 12 -22.638 -18.387 -4.720 78 2HD2 ASN 12 HD22 ASN 12 -22.577 -19.386 -6.128 79 H ASN 13 HN ASN 13 -18.161 -17.360 -5.310 80 HA ASN 13 HA ASN 13 -16.641 -15.401 -3.718 81 1HB ASN 13 HB2 ASN 13 -16.037 -18.015 -3.998 82 2HB ASN 13 HB1 ASN 13 -15.179 -17.363 -5.392 83 1HD2 ASN 13 HD21 ASN 13 -13.937 -18.575 -3.192 84 2HD2 ASN 13 HD22 ASN 13 -12.977 -17.384 -2.388 85 H GLN 14 HN GLN 14 -16.153 -13.570 -4.727 86 HA GLN 14 HA GLN 14 -16.406 -13.389 -7.615 87 1HB GLN 14 HB2 GLN 14 -16.138 -11.414 -5.381 88 2HB GLN 14 HB1 GLN 14 -15.759 -10.911 -7.023 89 1HG GLN 14 HG2 GLN 14 -18.011 -10.319 -6.596 90 2HG GLN 14 HG1 GLN 14 -18.030 -11.692 -7.702 91 1HE2 GLN 14 HE21 GLN 14 -18.714 -13.703 -6.955 92 2HE2 GLN 14 HE22 GLN 14 -19.622 -13.878 -5.496 93 H PHE 15 HN PHE 15 -14.569 -14.693 -8.166 94 HA PHE 15 HA PHE 15 -11.940 -13.788 -7.388 95 1HB PHE 15 HB2 PHE 15 -12.987 -16.218 -8.200 96 2HB PHE 15 HB1 PHE 15 -12.032 -15.703 -9.588 97 HD1 PHE 15 HD1 PHE 15 -11.841 -16.175 -5.910 98 HD2 PHE 15 HD2 PHE 15 -9.738 -16.021 -9.605 99 HE1 PHE 15 HE1 PHE 15 -9.796 -16.933 -4.772 100 HE2 PHE 15 HE2 PHE 15 -7.688 -16.779 -8.476 101 HZ PHE 15 HZ PHE 15 -7.716 -17.235 -6.055 102 H TYR 16 HN TYR 16 -14.145 -13.085 -9.898 103 HA TYR 16 HA TYR 16 -12.140 -12.291 -11.824 104 1HB TYR 16 HB2 TYR 16 -14.466 -13.217 -12.368 105 2HB TYR 16 HB1 TYR 16 -15.077 -11.624 -11.937 106 HD1 TYR 16 HD1 TYR 16 -13.958 -13.628 -14.585 107 HD2 TYR 16 HD2 TYR 16 -13.839 -9.619 -13.163 108 HE1 TYR 16 HE1 TYR 16 -13.489 -12.839 -16.866 109 HE2 TYR 16 HE2 TYR 16 -13.372 -8.819 -15.441 110 HH TYR 16 HH TYR 16 -13.358 -9.405 -17.641 111 H GLN 17 HN GLN 17 -14.550 -10.647 -9.788 112 HA GLN 17 HA GLN 17 -13.669 -8.027 -10.523 113 1HB GLN 17 HB2 GLN 17 -15.616 -9.165 -8.577 114 2HB GLN 17 HB1 GLN 17 -15.050 -7.523 -8.304 115 1HG GLN 17 HG2 GLN 17 -16.056 -6.711 -10.195 116 2HG GLN 17 HG1 GLN 17 -16.043 -8.278 -11.005 117 1HE2 GLN 17 HE21 GLN 17 -18.261 -6.513 -10.783 118 2HE2 GLN 17 HE22 GLN 17 -19.490 -7.334 -9.887 119 H GLN 18 HN GLN 18 -12.666 -10.350 -8.177 120 HA GLN 18 HA GLN 18 -11.503 -8.556 -6.307 121 1HB GLN 18 HB2 GLN 18 -12.079 -10.921 -5.802 122 2HB GLN 18 HB1 GLN 18 -10.761 -11.437 -6.844 123 1HG GLN 18 HG2 GLN 18 -10.110 -11.519 -4.513 124 2HG GLN 18 HG1 GLN 18 -9.163 -10.313 -5.383 125 1HE2 GLN 18 HE21 GLN 18 -8.679 -9.288 -3.408 126 2HE2 GLN 18 HE22 GLN 18 -9.841 -8.293 -2.605 127 H LYS 19 HN LYS 19 -10.446 -9.867 -9.346 128 HA LYS 19 HA LYS 19 -7.665 -9.486 -8.991 129 1HB LYS 19 HB2 LYS 19 -9.464 -9.922 -11.326 130 2HB LYS 19 HB1 LYS 19 -7.841 -9.317 -11.635 131 1HG LYS 19 HG2 LYS 19 -7.114 -11.299 -10.107 132 2HG LYS 19 HG1 LYS 19 -8.703 -11.943 -10.518 133 1HD LYS 19 HD2 LYS 19 -7.903 -12.663 -12.463 134 2HD LYS 19 HD1 LYS 19 -7.508 -11.003 -12.915 135 1HE LYS 19 HE2 LYS 19 -5.384 -11.320 -11.533 136 2HE LYS 19 HE1 LYS 19 -5.767 -13.040 -11.554 137 1HZ LYS 19 HZ1 LYS 19 -4.220 -12.215 -13.342 138 2HZ LYS 19 HZ2 LYS 19 -5.553 -11.436 -14.034 139 3HZ LYS 19 HZ3 LYS 19 -5.548 -13.119 -13.877 140 H GLN 20 HN GLN 20 -10.225 -7.289 -9.478 141 HA GLN 20 HA GLN 20 -8.677 -5.226 -10.745 142 1HB GLN 20 HB2 GLN 20 -11.426 -5.698 -10.127 143 2HB GLN 20 HB1 GLN 20 -10.969 -4.135 -9.462 144 1HG GLN 20 HG2 GLN 20 -10.586 -3.216 -11.510 145 2HG GLN 20 HG1 GLN 20 -10.154 -4.759 -12.245 146 1HE2 GLN 20 HE21 GLN 20 -11.725 -3.278 -13.717 147 2HE2 GLN 20 HE22 GLN 20 -13.362 -3.827 -13.692 148 H ARG 21 HN ARG 21 -9.595 -6.091 -7.475 149 HA ARG 21 HA ARG 21 -8.793 -3.686 -6.214 150 1HB ARG 21 HB2 ARG 21 -9.065 -6.500 -5.153 151 2HB ARG 21 HB1 ARG 21 -8.745 -5.096 -4.143 152 1HG ARG 21 HG2 ARG 21 -10.869 -4.096 -4.998 153 2HG ARG 21 HG1 ARG 21 -11.201 -5.636 -5.792 154 1HD ARG 21 HD2 ARG 21 -10.730 -6.578 -3.369 155 2HD ARG 21 HD1 ARG 21 -11.194 -4.945 -2.901 156 HE ARG 21 HE ARG 21 -12.918 -6.749 -4.477 157 1HH1 ARG 21 HH11 ARG 21 -12.515 -4.294 -2.009 158 2HH1 ARG 21 HH12 ARG 21 -14.208 -4.202 -1.665 159 1HH2 ARG 21 HH21 ARG 21 -15.135 -6.611 -4.008 160 2HH2 ARG 21 HH22 ARG 21 -15.689 -5.509 -2.793 161 H GLN 22 HN GLN 22 -7.187 -6.871 -6.105 162 HA GLN 22 HA GLN 22 -4.759 -5.918 -5.087 163 1HB GLN 22 HB2 GLN 22 -5.710 -8.424 -6.334 164 2HB GLN 22 HB1 GLN 22 -3.975 -8.148 -6.410 165 1HG GLN 22 HG2 GLN 22 -4.149 -7.689 -3.888 166 2HG GLN 22 HG1 GLN 22 -5.726 -8.470 -4.005 167 1HE2 GLN 22 HE21 GLN 22 -2.610 -9.004 -3.245 168 2HE2 GLN 22 HE22 GLN 22 -2.494 -10.693 -3.590 169 H ALA 23 HN ALA 23 -6.063 -5.772 -8.264 170 HA ALA 23 HA ALA 23 -3.668 -5.679 -9.756 171 1HB ALA 23 HB1 ALA 23 -6.479 -4.807 -10.247 172 2HB ALA 23 HB2 ALA 23 -5.520 -6.032 -11.076 173 3HB ALA 23 HB3 ALA 23 -5.206 -4.321 -11.367 174 H LEU 24 HN LEU 24 -5.831 -2.890 -9.245 175 HA LEU 24 HA LEU 24 -3.789 -1.005 -9.709 176 1HB LEU 24 HB2 LEU 24 -6.586 -0.916 -8.750 177 2HB LEU 24 HB1 LEU 24 -5.583 0.467 -8.359 178 HG LEU 24 HG LEU 24 -6.838 0.864 -10.399 179 1HD1 LEU 24 HD11 LEU 24 -4.797 1.138 -11.978 180 2HD1 LEU 24 HD12 LEU 24 -3.865 0.606 -10.579 181 3HD1 LEU 24 HD13 LEU 24 -4.862 2.056 -10.476 182 1HD2 LEU 24 HD21 LEU 24 -7.263 -1.245 -11.287 183 2HD2 LEU 24 HD22 LEU 24 -5.559 -1.707 -11.249 184 3HD2 LEU 24 HD23 LEU 24 -6.128 -0.526 -12.432 185 H GLY 25 HN GLY 25 -5.007 -2.489 -6.757 186 1HA GLY 25 HA2 GLY 25 -3.796 -0.748 -4.909 187 2HA GLY 25 HA1 GLY 25 -4.198 -2.435 -4.602 188 H GLU 26 HN GLU 26 -2.571 -3.561 -6.647 189 HA GLU 26 HA GLU 26 -0.145 -3.896 -5.301 190 1HB GLU 26 HB2 GLU 26 -1.337 -4.806 -7.772 191 2HB GLU 26 HB1 GLU 26 0.358 -4.426 -8.023 192 1HG GLU 26 HG2 GLU 26 -0.368 -6.067 -5.659 193 2HG GLU 26 HG1 GLU 26 -0.440 -6.816 -7.252 194 H GLN 27 HN GLN 27 -1.186 -1.581 -7.704 195 HA GLN 27 HA GLN 27 1.347 -0.613 -8.457 196 1HB GLN 27 HB2 GLN 27 -1.433 0.222 -8.787 197 2HB GLN 27 HB1 GLN 27 -0.315 1.573 -8.679 198 1HG GLN 27 HG2 GLN 27 1.029 0.520 -10.484 199 2HG GLN 27 HG1 GLN 27 -0.225 -0.708 -10.638 200 1HE2 GLN 27 HE21 GLN 27 -0.361 2.808 -10.193 201 2HE2 GLN 27 HE22 GLN 27 -1.312 3.120 -11.600 202 H LEU 28 HN LEU 28 -0.698 -0.014 -5.705 203 HA LEU 28 HA LEU 28 0.468 2.338 -4.720 204 1HB LEU 28 HB2 LEU 28 -1.586 0.931 -3.886 205 2HB LEU 28 HB1 LEU 28 -0.393 0.119 -2.892 206 HG LEU 28 HG LEU 28 0.221 2.525 -2.097 207 1HD1 LEU 28 HD11 LEU 28 -2.178 2.967 -3.709 208 2HD1 LEU 28 HD12 LEU 28 -0.946 4.104 -3.169 209 3HD1 LEU 28 HD13 LEU 28 -2.258 3.652 -2.087 210 1HD2 LEU 28 HD21 LEU 28 -2.327 2.076 -0.870 211 2HD2 LEU 28 HD22 LEU 28 -0.712 1.777 -0.225 212 3HD2 LEU 28 HD23 LEU 28 -1.532 0.527 -1.160 213 H TYR 29 HN TYR 29 1.452 -1.009 -4.641 214 HA TYR 29 HA TYR 29 3.648 -0.569 -2.820 215 1HB TYR 29 HB2 TYR 29 2.572 -2.740 -2.831 216 2HB TYR 29 HB1 TYR 29 2.909 -2.942 -4.546 217 HD1 TYR 29 HD1 TYR 29 4.823 -2.215 -1.404 218 HD2 TYR 29 HD2 TYR 29 4.645 -4.356 -5.078 219 HE1 TYR 29 HE1 TYR 29 6.951 -3.325 -0.854 220 HE2 TYR 29 HE2 TYR 29 6.767 -5.473 -4.536 221 HH TYR 29 HH TYR 29 8.854 -4.786 -2.969 222 H LYS 30 HN LYS 30 3.281 -1.070 -6.322 223 HA LYS 30 HA LYS 30 6.019 -1.087 -6.959 224 1HB LYS 30 HB2 LYS 30 3.810 -0.043 -8.729 225 2HB LYS 30 HB1 LYS 30 5.360 -0.703 -9.233 226 1HG LYS 30 HG2 LYS 30 4.697 -2.855 -8.947 227 2HG LYS 30 HG1 LYS 30 3.584 -2.456 -7.638 228 1HD LYS 30 HD2 LYS 30 1.974 -2.733 -9.178 229 2HD LYS 30 HD1 LYS 30 2.468 -1.141 -9.760 230 1HE LYS 30 HE2 LYS 30 4.255 -2.642 -11.060 231 2HE LYS 30 HE1 LYS 30 2.952 -3.822 -10.913 232 1HZ LYS 30 HZ1 LYS 30 3.095 -1.417 -12.517 233 2HZ LYS 30 HZ2 LYS 30 1.617 -1.652 -11.729 234 3HZ LYS 30 HZ3 LYS 30 2.214 -2.841 -12.773 235 H LYS 31 HN LYS 31 3.708 1.535 -6.619 236 HA LYS 31 HA LYS 31 5.271 3.614 -7.660 237 1HB LYS 31 HB2 LYS 31 2.752 3.478 -6.849 238 2HB LYS 31 HB1 LYS 31 3.437 4.110 -5.363 239 1HG LYS 31 HG2 LYS 31 3.068 6.107 -6.281 240 2HG LYS 31 HG1 LYS 31 4.529 5.778 -7.216 241 1HD LYS 31 HD2 LYS 31 2.820 4.555 -8.809 242 2HD LYS 31 HD1 LYS 31 1.669 5.650 -8.038 243 1HE LYS 31 HE2 LYS 31 2.605 7.510 -8.962 244 2HE LYS 31 HE1 LYS 31 4.220 6.806 -9.012 245 1HZ LYS 31 HZ1 LYS 31 2.485 5.390 -10.741 246 2HZ LYS 31 HZ2 LYS 31 3.906 6.228 -11.114 247 3HZ LYS 31 HZ3 LYS 31 2.424 7.042 -11.101 248 H VAL 32 HN VAL 32 5.116 2.190 -4.435 249 HA VAL 32 HA VAL 32 6.942 4.121 -3.311 250 HB VAL 32 HB VAL 32 6.913 2.673 -1.305 251 1HG1 VAL 32 HG11 VAL 32 4.857 4.248 -2.345 252 2HG1 VAL 32 HG12 VAL 32 5.121 3.817 -0.658 253 3HG1 VAL 32 HG13 VAL 32 4.065 2.827 -1.666 254 1HG2 VAL 32 HG21 VAL 32 5.635 0.721 -1.131 255 2HG2 VAL 32 HG22 VAL 32 6.521 0.550 -2.638 256 3HG2 VAL 32 HG23 VAL 32 4.822 1.014 -2.667 257 H SER 33 HN SER 33 7.096 0.770 -4.450 258 HA SER 33 HA SER 33 9.853 0.463 -3.749 259 1HB SER 33 HB2 SER 33 9.668 -1.634 -5.119 260 2HB SER 33 HB1 SER 33 8.484 -1.510 -3.821 261 HG SER 33 HG SER 33 8.126 -1.319 -6.588 262 H ALA 34 HN ALA 34 8.595 2.487 -5.900 263 HA ALA 34 HA ALA 34 9.843 1.953 -8.342 264 1HB ALA 34 HB1 ALA 34 9.705 4.530 -8.567 265 2HB ALA 34 HB2 ALA 34 8.845 4.449 -7.029 266 3HB ALA 34 HB3 ALA 34 8.215 3.597 -8.438 267 H LYS 35 HN LYS 35 11.273 2.630 -5.371 268 HA LYS 35 HA LYS 35 13.660 3.797 -6.610 269 1HB LYS 35 HB2 LYS 35 12.316 4.388 -4.232 270 2HB LYS 35 HB1 LYS 35 13.770 3.540 -3.723 271 1HG LYS 35 HG2 LYS 35 15.179 5.140 -4.691 272 2HG LYS 35 HG1 LYS 35 13.872 5.828 -5.658 273 1HD LYS 35 HD2 LYS 35 12.776 6.551 -3.542 274 2HD LYS 35 HD1 LYS 35 14.200 5.994 -2.664 275 1HE LYS 35 HE2 LYS 35 15.459 7.748 -3.329 276 2HE LYS 35 HE1 LYS 35 14.719 7.804 -4.929 277 1HZ LYS 35 HZ1 LYS 35 14.203 9.766 -3.576 278 2HZ LYS 35 HZ2 LYS 35 13.436 8.781 -2.434 279 3HZ LYS 35 HZ3 LYS 35 12.808 8.907 -4.000 280 H THR 36 HN THR 36 12.423 0.868 -5.326 281 HA THR 36 HA THR 36 14.661 -0.636 -6.047 282 HB THR 36 HB THR 36 15.865 0.339 -4.227 283 HG1 THR 36 HG1 THR 36 16.155 -1.530 -2.879 284 1HG2 THR 36 HG21 THR 36 15.167 0.530 -2.018 285 2HG2 THR 36 HG22 THR 36 13.813 -0.575 -2.250 286 3HG2 THR 36 HG23 THR 36 13.764 1.039 -2.958 287 H SER 37 HN SER 37 14.575 -2.908 -5.097 288 HA SER 37 HA SER 37 11.760 -3.697 -4.933 289 1HB SER 37 HB2 SER 37 13.934 -5.721 -5.191 290 2HB SER 37 HB1 SER 37 12.335 -5.687 -5.932 291 HG SER 37 HG SER 37 13.073 -4.173 -7.401 292 H ASN 38 HN ASN 38 12.906 -2.553 -2.652 293 HA ASN 38 HA ASN 38 13.686 -4.646 -0.829 294 1HB ASN 38 HB2 ASN 38 13.086 -1.717 -0.437 295 2HB ASN 38 HB1 ASN 38 13.489 -2.797 0.895 296 1HD2 ASN 38 HD21 ASN 38 15.190 -1.004 0.952 297 2HD2 ASN 38 HD22 ASN 38 16.666 -1.342 0.120 298 H GLU 39 HN GLU 39 12.169 -6.105 -0.352 299 HA GLU 39 HA GLU 39 9.410 -5.719 -0.341 300 1HB GLU 39 HB2 GLU 39 10.952 -7.878 -0.203 301 2HB GLU 39 HB1 GLU 39 10.585 -7.730 1.508 302 1HG GLU 39 HG2 GLU 39 8.306 -8.061 1.175 303 2HG GLU 39 HG1 GLU 39 8.413 -7.699 -0.547 304 H GLU 40 HN GLU 40 11.772 -5.198 2.196 305 HA GLU 40 HA GLU 40 9.747 -4.841 4.235 306 1HB GLU 40 HB2 GLU 40 12.710 -4.249 4.349 307 2HB GLU 40 HB1 GLU 40 11.610 -4.314 5.720 308 1HG GLU 40 HG2 GLU 40 11.953 -6.481 5.932 309 2HG GLU 40 HG1 GLU 40 11.406 -6.755 4.279 310 H ALA 41 HN ALA 41 11.439 -2.911 1.948 311 HA ALA 41 HA ALA 41 11.087 -0.408 3.303 312 1HB ALA 41 HB1 ALA 41 12.210 0.529 1.561 313 2HB ALA 41 HB2 ALA 41 11.591 -0.613 0.380 314 3HB ALA 41 HB3 ALA 41 12.839 -1.107 1.528 315 H ALA 42 HN ALA 42 9.889 -1.414 0.115 316 HA ALA 42 HA ALA 42 7.891 0.533 -0.022 317 1HB ALA 42 HB1 ALA 42 8.484 -0.306 -2.077 318 2HB ALA 42 HB2 ALA 42 6.945 -1.121 -1.797 319 3HB ALA 42 HB3 ALA 42 8.460 -1.980 -1.521 320 H GLY 43 HN GLY 43 7.784 -2.822 1.126 321 1HA GLY 43 HA2 GLY 43 4.968 -2.953 1.392 322 2HA GLY 43 HA1 GLY 43 6.129 -3.977 2.227 323 H LYS 44 HN LYS 44 7.474 -1.552 3.348 324 HA LYS 44 HA LYS 44 5.989 -1.429 5.776 325 1HB LYS 44 HB2 LYS 44 8.588 -1.052 5.189 326 2HB LYS 44 HB1 LYS 44 8.070 0.622 5.263 327 1HG LYS 44 HG2 LYS 44 8.908 -0.058 7.413 328 2HG LYS 44 HG1 LYS 44 7.168 0.211 7.520 329 1HD LYS 44 HD2 LYS 44 6.928 -1.838 8.343 330 2HD LYS 44 HD1 LYS 44 7.523 -2.497 6.819 331 1HE LYS 44 HE2 LYS 44 9.840 -2.260 7.690 332 2HE LYS 44 HE1 LYS 44 9.167 -1.741 9.233 333 1HZ LYS 44 HZ1 LYS 44 8.548 -4.353 7.969 334 2HZ LYS 44 HZ2 LYS 44 8.152 -3.854 9.535 335 3HZ LYS 44 HZ3 LYS 44 9.767 -4.134 9.121 336 H ILE 45 HN ILE 45 6.912 1.144 3.495 337 HA ILE 45 HA ILE 45 5.145 3.029 4.628 338 HB ILE 45 HB ILE 45 5.563 4.353 2.562 339 1HG1 ILE 45 HG12 ILE 45 7.305 1.993 1.830 340 2HG1 ILE 45 HG11 ILE 45 5.859 2.517 0.971 341 1HG2 ILE 45 HG21 ILE 45 7.752 3.247 4.268 342 2HG2 ILE 45 HG22 ILE 45 6.998 4.838 4.310 343 3HG2 ILE 45 HG23 ILE 45 8.119 4.430 3.014 344 1HD1 ILE 45 HD11 ILE 45 8.363 3.199 0.269 345 2HD1 ILE 45 HD12 ILE 45 7.944 4.566 1.308 346 3HD1 ILE 45 HD13 ILE 45 6.940 4.180 -0.088 347 H THR 46 HN THR 46 4.770 0.665 2.049 348 HA THR 46 HA THR 46 2.417 1.700 0.912 349 HB THR 46 HB THR 46 3.365 -1.164 1.170 350 HG1 THR 46 HG1 THR 46 3.566 0.826 -0.814 351 1HG2 THR 46 HG21 THR 46 1.627 -0.737 -1.061 352 2HG2 THR 46 HG22 THR 46 0.788 -0.343 0.439 353 3HG2 THR 46 HG23 THR 46 1.519 -1.935 0.230 354 H GLY 47 HN GLY 47 3.030 -0.194 3.796 355 1HA GLY 47 HA2 GLY 47 0.383 -0.939 4.389 356 2HA GLY 47 HA1 GLY 47 1.687 -0.780 5.555 357 H MET 48 HN MET 48 2.195 2.018 4.997 358 HA MET 48 HA MET 48 0.325 3.181 6.792 359 1HB MET 48 HB2 MET 48 2.495 4.334 5.042 360 2HB MET 48 HB1 MET 48 1.475 5.351 6.049 361 1HG MET 48 HG2 MET 48 2.221 3.882 7.992 362 2HG MET 48 HG1 MET 48 3.460 3.274 6.897 363 1HE MET 48 HE1 MET 48 6.143 5.417 6.846 364 2HE MET 48 HE2 MET 48 5.421 3.816 6.998 365 3HE MET 48 HE3 MET 48 5.889 4.715 8.443 366 H ILE 49 HN ILE 49 0.939 3.658 3.317 367 HA ILE 49 HA ILE 49 -1.368 5.292 2.907 368 HB ILE 49 HB ILE 49 0.072 3.727 0.769 369 1HG1 ILE 49 HG12 ILE 49 0.911 6.513 1.245 370 2HG1 ILE 49 HG11 ILE 49 1.390 5.378 2.500 371 1HG2 ILE 49 HG21 ILE 49 -1.102 4.931 -0.689 372 2HG2 ILE 49 HG22 ILE 49 -0.768 6.437 0.163 373 3HG2 ILE 49 HG23 ILE 49 -2.115 5.417 0.670 374 1HD1 ILE 49 HD11 ILE 49 1.911 4.802 -0.387 375 2HD1 ILE 49 HD12 ILE 49 2.701 4.133 1.040 376 3HD1 ILE 49 HD13 ILE 49 3.003 5.806 0.568 377 H LEU 50 HN LEU 50 -1.080 2.111 3.639 378 HA LEU 50 HA LEU 50 -2.979 0.912 1.889 379 1HB LEU 50 HB2 LEU 50 -1.118 -0.012 3.659 380 2HB LEU 50 HB1 LEU 50 -2.602 -0.295 4.544 381 HG LEU 50 HG LEU 50 -1.908 -2.273 3.285 382 1HD1 LEU 50 HD11 LEU 50 -4.289 -1.861 3.699 383 2HD1 LEU 50 HD12 LEU 50 -4.021 -2.731 2.188 384 3HD1 LEU 50 HD13 LEU 50 -4.402 -1.009 2.159 385 1HD2 LEU 50 HD21 LEU 50 -2.328 -2.019 0.708 386 2HD2 LEU 50 HD22 LEU 50 -0.761 -1.620 1.411 387 3HD2 LEU 50 HD23 LEU 50 -1.904 -0.336 1.021 388 H ASP 51 HN ASP 51 -3.626 3.372 3.746 389 HA ASP 51 HA ASP 51 -5.878 2.349 5.240 390 1HB ASP 51 HB2 ASP 51 -4.306 4.784 5.226 391 2HB ASP 51 HB1 ASP 51 -6.029 5.143 5.213 392 H LEU 52 HN LEU 52 -5.251 3.632 2.098 393 HA LEU 52 HA LEU 52 -7.874 4.654 1.608 394 1HB LEU 52 HB2 LEU 52 -5.474 4.014 -0.040 395 2HB LEU 52 HB1 LEU 52 -7.016 4.192 -0.858 396 HG LEU 52 HG LEU 52 -7.239 6.462 0.079 397 1HD1 LEU 52 HD11 LEU 52 -5.184 7.479 1.089 398 2HD1 LEU 52 HD12 LEU 52 -4.533 5.847 1.244 399 3HD1 LEU 52 HD13 LEU 52 -6.005 6.295 2.107 400 1HD2 LEU 52 HD21 LEU 52 -5.269 7.449 -1.186 401 2HD2 LEU 52 HD22 LEU 52 -6.345 6.384 -2.091 402 3HD2 LEU 52 HD23 LEU 52 -4.791 5.785 -1.513 403 HA PRO 53 HA PRO 53 -10.046 0.812 1.206 404 1HB PRO 53 HB2 PRO 53 -11.577 2.148 -0.945 405 2HB PRO 53 HB1 PRO 53 -12.154 1.368 0.528 406 1HG PRO 53 HG2 PRO 53 -12.115 4.049 0.246 407 2HG PRO 53 HG1 PRO 53 -11.858 3.253 1.807 408 1HD PRO 53 HD2 PRO 53 -9.899 4.573 0.005 409 2HD PRO 53 HD1 PRO 53 -9.884 4.416 1.773 410 HA PRO 54 HA PRO 54 -8.252 -1.566 -2.002 411 1HB PRO 54 HB2 PRO 54 -11.052 -2.318 -2.744 412 2HB PRO 54 HB1 PRO 54 -9.636 -3.348 -2.506 413 1HG PRO 54 HG2 PRO 54 -11.506 -3.146 -0.616 414 2HG PRO 54 HG1 PRO 54 -9.786 -3.252 -0.196 415 1HD PRO 54 HD2 PRO 54 -11.617 -0.918 -0.093 416 2HD PRO 54 HD1 PRO 54 -10.185 -1.279 0.892 417 H GLN 55 HN GLN 55 -11.377 -0.488 -3.344 418 HA GLN 55 HA GLN 55 -10.188 0.021 -5.904 419 1HB GLN 55 HB2 GLN 55 -12.937 0.919 -5.088 420 2HB GLN 55 HB1 GLN 55 -12.354 0.483 -6.691 421 1HG GLN 55 HG2 GLN 55 -11.943 -1.839 -5.410 422 2HG GLN 55 HG1 GLN 55 -13.315 -1.226 -4.489 423 1HE2 GLN 55 HE21 GLN 55 -15.099 -2.158 -5.184 424 2HE2 GLN 55 HE22 GLN 55 -15.533 -2.425 -6.835 425 H GLU 56 HN GLU 56 -11.303 2.052 -3.231 426 HA GLU 56 HA GLU 56 -11.093 4.520 -4.591 427 1HB GLU 56 HB2 GLU 56 -11.518 3.640 -1.832 428 2HB GLU 56 HB1 GLU 56 -10.684 5.179 -1.960 429 1HG GLU 56 HG2 GLU 56 -12.482 6.238 -2.879 430 2HG GLU 56 HG1 GLU 56 -13.130 4.759 -3.590 431 H VAL 57 HN VAL 57 -8.638 2.434 -3.596 432 HA VAL 57 HA VAL 57 -6.719 4.541 -3.047 433 HB VAL 57 HB VAL 57 -6.677 2.330 -1.850 434 1HG1 VAL 57 HG11 VAL 57 -6.876 1.211 -4.297 435 2HG1 VAL 57 HG12 VAL 57 -6.273 0.371 -2.868 436 3HG1 VAL 57 HG13 VAL 57 -5.142 1.081 -4.019 437 1HG2 VAL 57 HG21 VAL 57 -4.754 3.976 -2.066 438 2HG2 VAL 57 HG22 VAL 57 -4.092 2.882 -3.275 439 3HG2 VAL 57 HG23 VAL 57 -4.335 2.322 -1.622 440 H PHE 58 HN PHE 58 -7.792 2.646 -5.713 441 HA PHE 58 HA PHE 58 -5.641 2.517 -7.406 442 1HB PHE 58 HB2 PHE 58 -8.460 3.266 -8.203 443 2HB PHE 58 HB1 PHE 58 -7.218 2.675 -9.290 444 HD1 PHE 58 HD1 PHE 58 -9.361 1.202 -9.704 445 HD2 PHE 58 HD2 PHE 58 -6.839 0.912 -6.288 446 HE1 PHE 58 HE1 PHE 58 -10.146 -1.092 -9.330 447 HE2 PHE 58 HE2 PHE 58 -7.626 -1.390 -5.906 448 HZ PHE 58 HZ PHE 58 -9.281 -2.392 -7.433 449 HA PRO 59 HA PRO 59 -6.738 7.083 -8.986 450 1HB PRO 59 HB2 PRO 59 -7.672 8.102 -6.344 451 2HB PRO 59 HB1 PRO 59 -8.203 8.540 -7.971 452 1HG PRO 59 HG2 PRO 59 -9.712 6.977 -6.451 453 2HG PRO 59 HG1 PRO 59 -9.534 6.644 -8.186 454 1HD PRO 59 HD2 PRO 59 -8.260 5.278 -5.852 455 2HD PRO 59 HD1 PRO 59 -8.878 4.588 -7.363 456 H LEU 60 HN LEU 60 -5.801 6.638 -5.573 457 HA LEU 60 HA LEU 60 -3.878 8.717 -5.575 458 1HB LEU 60 HB2 LEU 60 -4.713 8.029 -3.475 459 2HB LEU 60 HB1 LEU 60 -4.346 6.344 -3.790 460 HG LEU 60 HG LEU 60 -1.866 7.603 -3.909 461 1HD1 LEU 60 HD11 LEU 60 -1.987 9.479 -2.780 462 2HD1 LEU 60 HD12 LEU 60 -2.287 8.507 -1.342 463 3HD1 LEU 60 HD13 LEU 60 -3.642 9.159 -2.265 464 1HD2 LEU 60 HD21 LEU 60 -2.800 6.423 -1.351 465 2HD2 LEU 60 HD22 LEU 60 -1.309 6.141 -2.252 466 3HD2 LEU 60 HD23 LEU 60 -2.821 5.413 -2.797 467 H LEU 61 HN LEU 61 -3.505 5.177 -5.806 468 HA LEU 61 HA LEU 61 -0.720 5.220 -6.128 469 1HB LEU 61 HB2 LEU 61 -1.102 2.911 -7.185 470 2HB LEU 61 HB1 LEU 61 -1.568 3.149 -5.514 471 HG LEU 61 HG LEU 61 -3.906 3.725 -6.785 472 1HD1 LEU 61 HD11 LEU 61 -2.312 1.986 -8.562 473 2HD1 LEU 61 HD12 LEU 61 -3.589 3.140 -8.946 474 3HD1 LEU 61 HD13 LEU 61 -4.001 1.550 -8.303 475 1HD2 LEU 61 HD21 LEU 61 -4.117 2.319 -5.016 476 2HD2 LEU 61 HD22 LEU 61 -2.762 1.306 -5.509 477 3HD2 LEU 61 HD23 LEU 61 -4.319 1.157 -6.325 478 H GLU 62 HN GLU 62 -3.086 6.276 -8.283 479 HA GLU 62 HA GLU 62 -1.408 5.726 -10.624 480 1HB GLU 62 HB2 GLU 62 -4.303 6.158 -10.194 481 2HB GLU 62 HB1 GLU 62 -3.636 6.852 -11.666 482 1HG GLU 62 HG2 GLU 62 -2.865 4.071 -11.105 483 2HG GLU 62 HG1 GLU 62 -4.569 4.339 -11.464 484 H SER 63 HN SER 63 -2.297 8.222 -8.465 485 HA SER 63 HA SER 63 -1.504 10.302 -10.376 486 1HB SER 63 HB2 SER 63 -2.672 10.715 -7.624 487 2HB SER 63 HB1 SER 63 -2.569 11.885 -8.939 488 HG SER 63 HG SER 63 -4.430 11.175 -9.571 489 H ASP 64 HN ASP 64 0.511 11.007 -10.328 490 HA ASP 64 HA ASP 64 2.435 10.217 -8.455 491 1HB ASP 64 HB2 ASP 64 2.470 12.581 -10.345 492 2HB ASP 64 HB1 ASP 64 3.877 11.940 -9.503 493 H GLU 65 HN GLU 65 0.910 13.420 -8.865 494 HA GLU 65 HA GLU 65 2.096 14.628 -6.638 495 1HB GLU 65 HB2 GLU 65 0.872 15.851 -8.429 496 2HB GLU 65 HB1 GLU 65 -0.639 15.230 -7.776 497 1HG GLU 65 HG2 GLU 65 0.768 16.415 -5.636 498 2HG GLU 65 HG1 GLU 65 0.841 17.536 -6.994 499 H LEU 66 HN LEU 66 -1.102 13.096 -6.933 500 HA LEU 66 HA LEU 66 -1.918 13.446 -4.293 501 1HB LEU 66 HB2 LEU 66 -3.068 12.424 -6.492 502 2HB LEU 66 HB1 LEU 66 -2.680 10.929 -5.661 503 HG LEU 66 HG LEU 66 -4.929 11.536 -5.112 504 1HD1 LEU 66 HD11 LEU 66 -3.131 10.824 -3.315 505 2HD1 LEU 66 HD12 LEU 66 -4.797 11.186 -2.869 506 3HD1 LEU 66 HD13 LEU 66 -3.539 12.402 -2.640 507 1HD2 LEU 66 HD21 LEU 66 -5.519 13.679 -5.171 508 2HD2 LEU 66 HD22 LEU 66 -3.841 14.210 -5.067 509 3HD2 LEU 66 HD23 LEU 66 -4.753 13.870 -3.595 510 H PHE 67 HN PHE 67 0.230 11.128 -5.738 511 HA PHE 67 HA PHE 67 0.298 9.350 -3.491 512 1HB PHE 67 HB2 PHE 67 0.971 8.935 -6.012 513 2HB PHE 67 HB1 PHE 67 2.550 9.475 -5.449 514 HD1 PHE 67 HD1 PHE 67 3.911 8.091 -4.090 515 HD2 PHE 67 HD2 PHE 67 -0.076 6.934 -5.021 516 HE1 PHE 67 HE1 PHE 67 4.358 5.847 -3.196 517 HE2 PHE 67 HE2 PHE 67 0.366 4.687 -4.132 518 HZ PHE 67 HZ PHE 67 2.581 4.139 -3.211 519 H GLU 68 HN GLU 68 2.558 11.763 -4.800 520 HA GLU 68 HA GLU 68 4.639 11.621 -3.079 521 1HB GLU 68 HB2 GLU 68 3.294 13.905 -4.441 522 2HB GLU 68 HB1 GLU 68 4.558 14.260 -3.273 523 1HG GLU 68 HG2 GLU 68 6.158 13.692 -4.701 524 2HG GLU 68 HG1 GLU 68 5.360 12.172 -5.101 525 H GLN 69 HN GLN 69 1.628 13.430 -2.442 526 HA GLN 69 HA GLN 69 2.329 14.424 0.075 527 1HB GLN 69 HB2 GLN 69 0.364 15.134 -1.301 528 2HB GLN 69 HB1 GLN 69 -0.444 13.646 -0.834 529 1HG GLN 69 HG2 GLN 69 0.571 15.590 1.205 530 2HG GLN 69 HG1 GLN 69 -1.008 15.781 0.446 531 1HE2 GLN 69 HE21 GLN 69 -1.711 13.066 0.263 532 2HE2 GLN 69 HE22 GLN 69 -1.978 12.468 1.859 533 H HIS 70 HN HIS 70 0.266 11.610 -0.627 534 HA HIS 70 HA HIS 70 0.155 10.704 2.042 535 1HB HIS 70 HB2 HIS 70 -0.588 9.620 -0.600 536 2HB HIS 70 HB1 HIS 70 -0.234 8.406 0.625 537 HD2 HIS 70 HD2 HIS 70 -3.058 10.746 -0.417 538 HE1 HIS 70 HE1 HIS 70 -4.105 9.170 3.380 539 HE2 HIS 70 HE2 HIS 70 -4.866 10.566 1.424 540 H TYR 71 HN TYR 71 2.138 9.586 -0.686 541 HA TYR 71 HA TYR 71 3.633 7.707 0.781 542 1HB TYR 71 HB2 TYR 71 3.711 7.316 -1.481 543 2HB TYR 71 HB1 TYR 71 3.836 9.018 -1.887 544 HD1 TYR 71 HD1 TYR 71 5.892 9.938 -2.471 545 HD2 TYR 71 HD2 TYR 71 5.794 6.170 -0.502 546 HE1 TYR 71 HE1 TYR 71 8.291 9.659 -2.909 547 HE2 TYR 71 HE2 TYR 71 8.200 5.879 -0.928 548 HH TYR 71 HH TYR 71 10.099 6.915 -1.619 549 H LYS 72 HN LYS 72 3.685 11.077 0.966 550 HA LYS 72 HA LYS 72 6.473 11.505 1.366 551 1HB LYS 72 HB2 LYS 72 4.984 13.360 0.792 552 2HB LYS 72 HB1 LYS 72 4.103 13.142 2.296 553 1HG LYS 72 HG2 LYS 72 6.697 13.458 3.143 554 2HG LYS 72 HG1 LYS 72 6.590 14.552 1.764 555 1HD LYS 72 HD2 LYS 72 4.223 14.811 3.353 556 2HD LYS 72 HD1 LYS 72 5.642 14.962 4.393 557 1HE LYS 72 HE2 LYS 72 5.544 17.118 3.728 558 2HE LYS 72 HE1 LYS 72 6.428 16.493 2.336 559 1HZ LYS 72 HZ1 LYS 72 4.616 17.832 1.576 560 2HZ LYS 72 HZ2 LYS 72 3.503 16.966 2.510 561 3HZ LYS 72 HZ3 LYS 72 4.270 16.219 1.201 562 H GLU 73 HN GLU 73 3.768 11.472 3.703 563 HA GLU 73 HA GLU 73 5.256 11.560 6.033 564 1HB GLU 73 HB2 GLU 73 2.588 11.284 5.417 565 2HB GLU 73 HB1 GLU 73 2.948 9.748 6.190 566 1HG GLU 73 HG2 GLU 73 4.101 11.848 7.737 567 2HG GLU 73 HG1 GLU 73 2.417 12.243 7.395 568 H ALA 74 HN ALA 74 4.468 8.827 3.980 569 HA ALA 74 HA ALA 74 5.540 6.832 5.701 570 1HB ALA 74 HB1 ALA 74 4.073 6.910 3.316 571 2HB ALA 74 HB2 ALA 74 4.544 5.484 4.242 572 3HB ALA 74 HB3 ALA 74 5.574 6.069 2.935 573 H SER 75 HN SER 75 6.757 8.618 2.903 574 HA SER 75 HA SER 75 9.142 7.354 2.422 575 1HB SER 75 HB2 SER 75 8.753 9.062 0.929 576 2HB SER 75 HB1 SER 75 8.261 10.197 2.186 577 HG SER 75 HG SER 75 10.228 10.906 2.187 578 H ALA 76 HN ALA 76 8.689 10.049 4.732 579 HA ALA 76 HA ALA 76 11.224 10.187 5.779 580 1HB ALA 76 HB1 ALA 76 9.199 10.332 7.875 581 2HB ALA 76 HB2 ALA 76 8.791 11.276 6.443 582 3HB ALA 76 HB3 ALA 76 10.312 11.565 7.286 583 H ALA 77 HN ALA 77 8.634 7.967 6.715 584 HA ALA 77 HA ALA 77 10.185 6.602 8.705 585 1HB ALA 77 HB1 ALA 77 8.136 4.892 7.897 586 2HB ALA 77 HB2 ALA 77 7.488 6.520 7.703 587 3HB ALA 77 HB3 ALA 77 8.120 6.004 9.266 588 H TYR 78 HN TYR 78 9.866 6.398 5.311 589 HA TYR 78 HA TYR 78 10.499 3.745 4.741 590 1HB TYR 78 HB2 TYR 78 9.850 5.626 3.133 591 2HB TYR 78 HB1 TYR 78 11.530 6.129 3.199 592 HD1 TYR 78 HD1 TYR 78 9.707 5.123 0.841 593 HD2 TYR 78 HD2 TYR 78 12.754 3.314 3.191 594 HE1 TYR 78 HE1 TYR 78 10.241 3.611 -1.023 595 HE2 TYR 78 HE2 TYR 78 13.291 1.804 1.352 596 HH TYR 78 HH TYR 78 12.709 1.082 -0.689 597 H GLU 79 HN GLU 79 12.660 6.536 5.020 598 HA GLU 79 HA GLU 79 15.081 5.177 4.750 599 1HB GLU 79 HB2 GLU 79 14.272 7.809 5.894 600 2HB GLU 79 HB1 GLU 79 15.916 7.242 6.148 601 1HG GLU 79 HG2 GLU 79 15.068 6.985 3.384 602 2HG GLU 79 HG1 GLU 79 14.984 8.646 3.969 603 H SER 80 HN SER 80 13.176 5.869 7.641 604 HA SER 80 HA SER 80 15.054 5.185 9.560 605 1HB SER 80 HB2 SER 80 12.380 5.935 9.587 606 2HB SER 80 HB1 SER 80 12.379 4.335 10.328 607 HG SER 80 HG SER 80 13.059 5.322 12.045 608 H PHE 81 HN PHE 81 12.589 3.086 8.075 609 HA PHE 81 HA PHE 81 13.459 0.769 9.454 610 1HB PHE 81 HB2 PHE 81 11.673 1.173 7.064 611 2HB PHE 81 HB1 PHE 81 12.023 -0.422 7.723 612 HD1 PHE 81 HD1 PHE 81 10.012 2.514 7.995 613 HD2 PHE 81 HD2 PHE 81 11.434 -0.868 10.149 614 HE1 PHE 81 HE1 PHE 81 8.207 2.810 9.641 615 HE2 PHE 81 HE2 PHE 81 9.631 -0.582 11.798 616 HZ PHE 81 HZ PHE 81 8.015 1.260 11.546 617 H LYS 82 HN LYS 82 13.995 1.911 6.114 618 HA LYS 82 HA LYS 82 15.487 -0.347 5.315 619 1HB LYS 82 HB2 LYS 82 16.196 0.977 3.404 620 2HB LYS 82 HB1 LYS 82 14.481 1.210 3.705 621 1HG LYS 82 HG2 LYS 82 14.741 3.384 4.310 622 2HG LYS 82 HG1 LYS 82 16.374 3.143 4.919 623 1HD LYS 82 HD2 LYS 82 17.221 3.868 2.996 624 2HD LYS 82 HD1 LYS 82 16.354 2.609 2.116 625 1HE LYS 82 HE2 LYS 82 14.396 4.474 2.695 626 2HE LYS 82 HE1 LYS 82 15.808 5.458 2.324 627 1HZ LYS 82 HZ1 LYS 82 14.435 4.931 0.364 628 2HZ LYS 82 HZ2 LYS 82 14.776 3.289 0.579 629 3HZ LYS 82 HZ3 LYS 82 16.025 4.368 0.217 630 H LYS 83 HN LYS 83 16.416 2.660 6.880 631 HA LYS 83 HA LYS 83 19.240 1.998 6.691 632 1HB LYS 83 HB2 LYS 83 17.897 4.311 8.098 633 2HB LYS 83 HB1 LYS 83 19.621 4.139 7.799 634 1HG LYS 83 HG2 LYS 83 18.158 3.904 5.338 635 2HG LYS 83 HG1 LYS 83 17.716 5.389 6.179 636 1HD LYS 83 HD2 LYS 83 19.597 5.772 4.679 637 2HD LYS 83 HD1 LYS 83 20.086 5.987 6.361 638 1HE LYS 83 HE2 LYS 83 20.459 3.251 5.571 639 2HE LYS 83 HE1 LYS 83 21.257 4.325 4.421 640 1HZ LYS 83 HZ1 LYS 83 22.418 3.524 6.638 641 2HZ LYS 83 HZ2 LYS 83 21.635 4.890 7.259 642 3HZ LYS 83 HZ3 LYS 83 22.719 5.050 5.970 643 H GLU 84 HN GLU 84 16.698 1.223 8.743 644 HA GLU 84 HA GLU 84 17.872 1.357 11.279 645 1HB GLU 84 HB2 GLU 84 15.516 0.198 10.097 646 2HB GLU 84 HB1 GLU 84 16.226 -0.927 11.247 647 1HG GLU 84 HG2 GLU 84 16.139 0.736 12.991 648 2HG GLU 84 HG1 GLU 84 15.544 1.941 11.850 649 H GLN 85 HN GLN 85 18.380 -0.848 8.651 650 HA GLN 85 HA GLN 85 19.649 -2.859 10.293 651 1HB GLN 85 HB2 GLN 85 19.268 -2.525 7.327 652 2HB GLN 85 HB1 GLN 85 20.280 -3.801 7.991 653 1HG GLN 85 HG2 GLN 85 18.066 -4.200 9.439 654 2HG GLN 85 HG1 GLN 85 17.345 -3.509 7.987 655 1HE2 GLN 85 HE21 GLN 85 19.008 -4.483 6.045 656 2HE2 GLN 85 HE22 GLN 85 18.866 -6.203 5.964 657 H GLU 86 HN GLU 86 20.725 -0.110 10.300 658 HA GLU 86 HA GLU 86 23.204 -0.149 8.873 659 1HB GLU 86 HB2 GLU 86 23.690 1.883 10.286 660 2HB GLU 86 HB1 GLU 86 22.236 1.987 9.304 661 1HG GLU 86 HG2 GLU 86 20.935 2.249 11.086 662 2HG GLU 86 HG1 GLU 86 21.688 0.897 11.930 663 H GLN 87 HN GLN 87 22.105 -1.411 11.856 664 HA GLN 87 HA GLN 87 24.843 -1.657 12.880 665 1HB GLN 87 HB2 GLN 87 22.256 -1.274 14.116 666 2HB GLN 87 HB1 GLN 87 23.056 -2.690 14.782 667 1HG GLN 87 HG2 GLN 87 25.076 -0.860 14.769 668 2HG GLN 87 HG1 GLN 87 23.668 0.146 15.106 669 1HE2 GLN 87 HE21 GLN 87 24.167 0.574 17.212 670 2HE2 GLN 87 HE22 GLN 87 24.157 -0.624 18.456 671 H GLN 88 HN GLN 88 21.887 -3.649 12.705 672 HA GLN 88 HA GLN 88 23.411 -6.086 12.914 673 1HB GLN 88 HB2 GLN 88 20.475 -5.725 12.295 674 2HB GLN 88 HB1 GLN 88 21.259 -7.205 12.828 675 1HG GLN 88 HG2 GLN 88 21.928 -5.817 14.905 676 2HG GLN 88 HG1 GLN 88 20.646 -4.727 14.380 677 1HE2 GLN 88 HE21 GLN 88 20.980 -8.262 14.446 678 2HE2 GLN 88 HE22 GLN 88 19.532 -8.552 15.342 679 H THR 89 HN THR 89 24.439 -6.958 11.247 680 HA THR 89 HA THR 89 23.375 -6.522 8.538 681 HB THR 89 HB THR 89 26.114 -7.594 8.871 682 HG1 THR 89 HG1 THR 89 25.359 -5.003 9.705 683 1HG2 THR 89 HG21 THR 89 25.510 -5.151 7.319 684 2HG2 THR 89 HG22 THR 89 24.844 -6.677 6.736 685 3HG2 THR 89 HG23 THR 89 26.586 -6.499 6.948 686 H GLU 90 HN GLU 90 21.942 -8.190 8.377 687 HA GLU 90 HA GLU 90 22.536 -10.864 9.170 688 1HB GLU 90 HB2 GLU 90 20.242 -9.769 8.968 689 2HB GLU 90 HB1 GLU 90 20.388 -10.011 7.233 690 1HG GLU 90 HG2 GLU 90 19.093 -11.791 8.112 691 2HG GLU 90 HG1 GLU 90 20.668 -12.448 7.673 692 H GLN 91 HN GLN 91 22.497 -12.720 7.659 693 HA GLN 91 HA GLN 91 24.279 -12.197 5.419 694 1HB GLN 91 HB2 GLN 91 24.534 -14.078 7.195 695 2HB GLN 91 HB1 GLN 91 23.314 -14.919 6.247 696 1HG GLN 91 HG2 GLN 91 25.415 -15.700 5.512 697 2HG GLN 91 HG1 GLN 91 24.802 -14.630 4.253 698 1HE2 GLN 91 HE21 GLN 91 27.517 -15.386 4.664 699 2HE2 GLN 91 HE22 GLN 91 28.407 -13.946 5.012 700 H ALA 92 HN ALA 92 23.827 -12.661 3.287 701 HA ALA 92 HA ALA 92 20.997 -12.828 2.624 702 1HB ALA 92 HB1 ALA 92 22.102 -11.128 1.435 703 2HB ALA 92 HB2 ALA 92 21.881 -12.434 0.270 704 3HB ALA 92 HB3 ALA 92 23.456 -12.182 1.023 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -14.651 -36.022 7.326 2 2H GLY 1 HT2 GLY 1 -16.074 -36.832 6.900 3 3H GLY 1 HT3 GLY 1 -15.735 -36.519 8.527 4 1HA GLY 1 HA1 GLY 1 -17.190 -34.835 8.157 5 2HA GLY 1 HA2 GLY 1 -15.681 -34.048 7.719 6 HA PRO 2 HA PRO 2 -18.338 -35.361 3.727 7 1HB PRO 2 HB2 PRO 2 -20.854 -34.288 4.898 8 2HB PRO 2 HB1 PRO 2 -20.613 -35.663 3.815 9 1HG PRO 2 HG2 PRO 2 -21.152 -36.035 6.400 10 2HG PRO 2 HG1 PRO 2 -20.013 -37.089 5.540 11 1HD PRO 2 HD2 PRO 2 -19.465 -34.874 7.467 12 2HD PRO 2 HD1 PRO 2 -18.616 -36.418 7.249 13 H LEU 3 HN LEU 3 -18.831 -32.685 5.951 14 HA LEU 3 HA LEU 3 -19.399 -30.737 3.964 15 1HB LEU 3 HB2 LEU 3 -19.138 -29.097 5.710 16 2HB LEU 3 HB1 LEU 3 -20.051 -30.462 6.318 17 HG LEU 3 HG LEU 3 -17.100 -30.175 6.844 18 1HD1 LEU 3 HD11 LEU 3 -19.353 -29.169 8.571 19 2HD1 LEU 3 HD12 LEU 3 -18.256 -28.154 7.634 20 3HD1 LEU 3 HD13 LEU 3 -17.633 -29.137 8.958 21 1HD2 LEU 3 HD21 LEU 3 -17.593 -32.294 7.498 22 2HD2 LEU 3 HD22 LEU 3 -19.299 -31.933 7.767 23 3HD2 LEU 3 HD23 LEU 3 -18.096 -31.447 8.961 24 H GLY 4 HN GLY 4 -18.026 -30.124 2.444 25 1HA GLY 4 HA2 GLY 4 -15.148 -30.278 2.944 26 2HA GLY 4 HA1 GLY 4 -15.919 -30.056 1.381 27 H SER 5 HN SER 5 -17.220 -27.907 1.268 28 HA SER 5 HA SER 5 -15.327 -25.806 1.782 29 1HB SER 5 HB2 SER 5 -18.008 -25.927 0.420 30 2HB SER 5 HB1 SER 5 -17.218 -24.384 0.738 31 HG SER 5 HG SER 5 -15.779 -26.440 -0.521 32 HA PRO 6 HA PRO 6 -17.109 -24.599 5.671 33 1HB PRO 6 HB2 PRO 6 -15.789 -22.271 6.021 34 2HB PRO 6 HB1 PRO 6 -14.996 -23.842 6.189 35 1HG PRO 6 HG2 PRO 6 -14.953 -21.932 3.889 36 2HG PRO 6 HG1 PRO 6 -13.628 -22.888 4.576 37 1HD PRO 6 HD2 PRO 6 -14.994 -23.595 2.314 38 2HD PRO 6 HD1 PRO 6 -14.203 -24.763 3.391 39 H ARG 7 HN ARG 7 -16.802 -22.062 3.185 40 HA ARG 7 HA ARG 7 -18.946 -20.504 4.243 41 1HB ARG 7 HB2 ARG 7 -17.670 -20.394 1.505 42 2HB ARG 7 HB1 ARG 7 -18.690 -19.154 2.221 43 1HG ARG 7 HG2 ARG 7 -17.009 -18.292 3.412 44 2HG ARG 7 HG1 ARG 7 -16.400 -19.882 3.878 45 1HD ARG 7 HD2 ARG 7 -15.636 -19.976 1.371 46 2HD ARG 7 HD1 ARG 7 -15.751 -18.220 1.488 47 HE ARG 7 HE ARG 7 -14.226 -19.503 3.586 48 1HH1 ARG 7 HH11 ARG 7 -14.134 -17.968 0.451 49 2HH1 ARG 7 HH12 ARG 7 -12.458 -17.548 0.570 50 1HH2 ARG 7 HH21 ARG 7 -12.026 -18.950 3.741 51 2HH2 ARG 7 HH22 ARG 7 -11.261 -18.106 2.436 52 H ASN 8 HN ASN 8 -20.606 -19.797 2.299 53 HA ASN 8 HA ASN 8 -22.185 -22.203 1.900 54 1HB ASN 8 HB2 ASN 8 -22.772 -19.481 2.395 55 2HB ASN 8 HB1 ASN 8 -23.423 -19.852 0.802 56 1HD2 ASN 8 HD21 ASN 8 -24.976 -21.511 0.606 57 2HD2 ASN 8 HD22 ASN 8 -25.929 -22.004 1.961 58 H ALA 9 HN ALA 9 -23.373 -22.442 -0.205 59 HA ALA 9 HA ALA 9 -21.459 -22.544 -2.335 60 1HB ALA 9 HB1 ALA 9 -22.877 -24.385 -2.290 61 2HB ALA 9 HB2 ALA 9 -23.522 -23.413 -3.614 62 3HB ALA 9 HB3 ALA 9 -24.315 -23.394 -2.039 63 H ASN 10 HN ASN 10 -20.945 -20.750 -3.411 64 HA ASN 10 HA ASN 10 -22.993 -18.730 -3.925 65 1HB ASN 10 HB2 ASN 10 -20.107 -18.711 -3.574 66 2HB ASN 10 HB1 ASN 10 -20.592 -17.827 -5.018 67 1HD2 ASN 10 HD21 ASN 10 -20.349 -17.783 -1.647 68 2HD2 ASN 10 HD22 ASN 10 -21.141 -16.274 -1.364 69 H ASP 11 HN ASP 11 -24.019 -18.638 -5.804 70 HA ASP 11 HA ASP 11 -23.147 -20.306 -8.004 71 1HB ASP 11 HB2 ASP 11 -25.632 -19.452 -7.053 72 2HB ASP 11 HB1 ASP 11 -25.434 -18.620 -8.592 73 H ASN 12 HN ASN 12 -22.878 -17.028 -7.068 74 HA ASN 12 HA ASN 12 -22.427 -16.093 -9.791 75 1HB ASN 12 HB2 ASN 12 -23.383 -14.877 -7.449 76 2HB ASN 12 HB1 ASN 12 -21.807 -14.147 -7.740 77 1HD2 ASN 12 HD21 ASN 12 -23.182 -12.230 -8.039 78 2HD2 ASN 12 HD22 ASN 12 -23.830 -11.928 -9.612 79 H ASN 13 HN ASN 13 -20.471 -14.959 -10.368 80 HA ASN 13 HA ASN 13 -18.117 -15.872 -8.849 81 1HB ASN 13 HB2 ASN 13 -18.779 -16.132 -11.713 82 2HB ASN 13 HB1 ASN 13 -17.140 -15.584 -11.374 83 1HD2 ASN 13 HD21 ASN 13 -19.478 -18.062 -10.405 84 2HD2 ASN 13 HD22 ASN 13 -18.315 -19.324 -10.202 85 H GLN 14 HN GLN 14 -17.419 -14.094 -7.830 86 HA GLN 14 HA GLN 14 -17.437 -11.527 -9.224 87 1HB GLN 14 HB2 GLN 14 -17.933 -12.244 -6.585 88 2HB GLN 14 HB1 GLN 14 -16.336 -11.511 -6.526 89 1HG GLN 14 HG2 GLN 14 -17.100 -9.450 -7.133 90 2HG GLN 14 HG1 GLN 14 -18.475 -10.100 -8.024 91 1HE2 GLN 14 HE21 GLN 14 -19.701 -8.464 -6.910 92 2HE2 GLN 14 HE22 GLN 14 -20.267 -8.763 -5.305 93 H PHE 15 HN PHE 15 -15.640 -13.413 -10.238 94 HA PHE 15 HA PHE 15 -13.014 -12.840 -9.170 95 1HB PHE 15 HB2 PHE 15 -13.944 -15.030 -10.357 96 2HB PHE 15 HB1 PHE 15 -13.374 -14.196 -11.799 97 HD1 PHE 15 HD1 PHE 15 -11.098 -14.153 -12.349 98 HD2 PHE 15 HD2 PHE 15 -12.315 -15.474 -8.493 99 HE1 PHE 15 HE1 PHE 15 -8.809 -14.938 -11.903 100 HE2 PHE 15 HE2 PHE 15 -10.029 -16.262 -8.037 101 HZ PHE 15 HZ PHE 15 -8.273 -15.995 -9.744 102 H TYR 16 HN TYR 16 -15.119 -11.457 -11.466 103 HA TYR 16 HA TYR 16 -13.231 -10.410 -13.294 104 1HB TYR 16 HB2 TYR 16 -15.810 -10.598 -13.502 105 2HB TYR 16 HB1 TYR 16 -15.835 -9.056 -12.653 106 HD1 TYR 16 HD1 TYR 16 -15.061 -10.753 -15.785 107 HD2 TYR 16 HD2 TYR 16 -14.934 -7.038 -13.715 108 HE1 TYR 16 HE1 TYR 16 -14.701 -9.583 -17.918 109 HE2 TYR 16 HE2 TYR 16 -14.574 -5.857 -15.842 110 HH TYR 16 HH TYR 16 -13.488 -7.033 -18.440 111 H GLN 17 HN GLN 17 -14.989 -8.815 -10.630 112 HA GLN 17 HA GLN 17 -13.241 -6.521 -10.756 113 1HB GLN 17 HB2 GLN 17 -15.486 -7.236 -8.865 114 2HB GLN 17 HB1 GLN 17 -14.605 -5.715 -8.825 115 1HG GLN 17 HG2 GLN 17 -15.479 -5.023 -10.883 116 2HG GLN 17 HG1 GLN 17 -16.021 -6.649 -11.296 117 1HE2 GLN 17 HE21 GLN 17 -16.444 -4.452 -8.533 118 2HE2 GLN 17 HE22 GLN 17 -18.165 -4.589 -8.471 119 H GLN 18 HN GLN 18 -12.875 -9.530 -9.445 120 HA GLN 18 HA GLN 18 -11.793 -8.915 -6.889 121 1HB GLN 18 HB2 GLN 18 -12.507 -11.218 -8.189 122 2HB GLN 18 HB1 GLN 18 -10.754 -11.322 -8.216 123 1HG GLN 18 HG2 GLN 18 -11.018 -10.704 -5.670 124 2HG GLN 18 HG1 GLN 18 -12.626 -11.387 -5.913 125 1HE2 GLN 18 HE21 GLN 18 -9.203 -12.027 -5.926 126 2HE2 GLN 18 HE22 GLN 18 -9.321 -13.750 -5.871 127 H LYS 19 HN LYS 19 -10.206 -9.877 -9.937 128 HA LYS 19 HA LYS 19 -7.590 -9.405 -9.060 129 1HB LYS 19 HB2 LYS 19 -8.899 -9.717 -11.717 130 2HB LYS 19 HB1 LYS 19 -7.266 -9.066 -11.677 131 1HG LYS 19 HG2 LYS 19 -7.567 -11.431 -10.015 132 2HG LYS 19 HG1 LYS 19 -7.959 -11.728 -11.710 133 1HD LYS 19 HD2 LYS 19 -5.568 -10.119 -11.448 134 2HD LYS 19 HD1 LYS 19 -5.420 -11.638 -10.561 135 1HE LYS 19 HE2 LYS 19 -6.347 -11.476 -13.421 136 2HE LYS 19 HE1 LYS 19 -4.658 -11.695 -12.963 137 1HZ LYS 19 HZ1 LYS 19 -6.923 -13.547 -12.626 138 2HZ LYS 19 HZ2 LYS 19 -5.584 -13.659 -11.599 139 3HZ LYS 19 HZ3 LYS 19 -5.385 -13.844 -13.268 140 H GLN 20 HN GLN 20 -10.051 -7.246 -10.139 141 HA GLN 20 HA GLN 20 -8.429 -5.072 -10.938 142 1HB GLN 20 HB2 GLN 20 -11.274 -5.293 -9.984 143 2HB GLN 20 HB1 GLN 20 -10.551 -3.728 -10.323 144 1HG GLN 20 HG2 GLN 20 -9.934 -5.078 -12.587 145 2HG GLN 20 HG1 GLN 20 -11.473 -5.822 -12.154 146 1HE2 GLN 20 HE21 GLN 20 -13.088 -4.033 -11.326 147 2HE2 GLN 20 HE22 GLN 20 -13.264 -2.693 -12.403 148 H ARG 21 HN ARG 21 -9.828 -6.022 -7.846 149 HA ARG 21 HA ARG 21 -9.257 -3.791 -6.311 150 1HB ARG 21 HB2 ARG 21 -9.146 -6.681 -5.466 151 2HB ARG 21 HB1 ARG 21 -9.306 -5.300 -4.388 152 1HG ARG 21 HG2 ARG 21 -11.406 -4.778 -5.859 153 2HG ARG 21 HG1 ARG 21 -11.299 -6.496 -6.245 154 1HD ARG 21 HD2 ARG 21 -10.994 -6.074 -3.415 155 2HD ARG 21 HD1 ARG 21 -12.476 -5.320 -3.996 156 HE ARG 21 HE ARG 21 -13.258 -7.432 -4.691 157 1HH1 ARG 21 HH11 ARG 21 -10.173 -7.621 -3.055 158 2HH1 ARG 21 HH12 ARG 21 -10.302 -9.321 -2.759 159 1HH2 ARG 21 HH21 ARG 21 -13.411 -9.665 -4.312 160 2HH2 ARG 21 HH22 ARG 21 -12.134 -10.481 -3.473 161 H GLN 22 HN GLN 22 -7.257 -6.734 -6.543 162 HA GLN 22 HA GLN 22 -5.042 -5.487 -5.239 163 1HB GLN 22 HB2 GLN 22 -5.718 -8.010 -5.364 164 2HB GLN 22 HB1 GLN 22 -4.776 -7.996 -6.849 165 1HG GLN 22 HG2 GLN 22 -2.805 -7.334 -5.672 166 2HG GLN 22 HG1 GLN 22 -3.717 -7.096 -4.182 167 1HE2 GLN 22 HE21 GLN 22 -2.599 -9.499 -6.486 168 2HE2 GLN 22 HE22 GLN 22 -2.633 -10.835 -5.392 169 H ALA 23 HN ALA 23 -6.175 -5.390 -8.430 170 HA ALA 23 HA ALA 23 -3.738 -5.336 -9.859 171 1HB ALA 23 HB1 ALA 23 -6.209 -5.432 -10.715 172 2HB ALA 23 HB2 ALA 23 -4.957 -4.681 -11.696 173 3HB ALA 23 HB3 ALA 23 -6.055 -3.679 -10.750 174 H LEU 24 HN LEU 24 -5.822 -2.514 -9.280 175 HA LEU 24 HA LEU 24 -3.769 -0.638 -9.671 176 1HB LEU 24 HB2 LEU 24 -6.537 -0.592 -8.620 177 2HB LEU 24 HB1 LEU 24 -5.529 0.790 -8.246 178 HG LEU 24 HG LEU 24 -6.896 1.190 -10.227 179 1HD1 LEU 24 HD11 LEU 24 -3.930 0.966 -10.648 180 2HD1 LEU 24 HD12 LEU 24 -4.890 2.398 -10.275 181 3HD1 LEU 24 HD13 LEU 24 -5.006 1.651 -11.866 182 1HD2 LEU 24 HD21 LEU 24 -7.284 -0.944 -11.106 183 2HD2 LEU 24 HD22 LEU 24 -5.561 -1.312 -11.206 184 3HD2 LEU 24 HD23 LEU 24 -6.279 -0.138 -12.310 185 H GLY 25 HN GLY 25 -4.920 -2.311 -6.798 186 1HA GLY 25 HA2 GLY 25 -3.671 -0.702 -4.857 187 2HA GLY 25 HA1 GLY 25 -4.051 -2.412 -4.667 188 H GLU 26 HN GLU 26 -2.472 -3.401 -6.805 189 HA GLU 26 HA GLU 26 0.004 -3.761 -5.557 190 1HB GLU 26 HB2 GLU 26 -1.248 -4.915 -7.689 191 2HB GLU 26 HB1 GLU 26 0.010 -3.994 -8.499 192 1HG GLU 26 HG2 GLU 26 1.436 -5.159 -6.522 193 2HG GLU 26 HG1 GLU 26 0.200 -6.385 -6.806 194 H GLN 27 HN GLN 27 -1.180 -1.305 -7.718 195 HA GLN 27 HA GLN 27 1.254 -0.236 -8.605 196 1HB GLN 27 HB2 GLN 27 -1.534 0.636 -8.502 197 2HB GLN 27 HB1 GLN 27 -0.387 1.959 -8.379 198 1HG GLN 27 HG2 GLN 27 0.321 0.083 -10.465 199 2HG GLN 27 HG1 GLN 27 -1.290 0.761 -10.691 200 1HE2 GLN 27 HE21 GLN 27 -1.050 2.234 -12.225 201 2HE2 GLN 27 HE22 GLN 27 0.095 3.527 -12.207 202 H LEU 28 HN LEU 28 -0.559 0.143 -5.641 203 HA LEU 28 HA LEU 28 0.770 2.360 -4.554 204 1HB LEU 28 HB2 LEU 28 -1.302 0.887 -3.740 205 2HB LEU 28 HB1 LEU 28 -0.064 0.141 -2.748 206 HG LEU 28 HG LEU 28 0.497 2.510 -1.946 207 1HD1 LEU 28 HD11 LEU 28 -2.187 3.463 -2.349 208 2HD1 LEU 28 HD12 LEU 28 -1.380 3.187 -3.888 209 3HD1 LEU 28 HD13 LEU 28 -0.650 4.252 -2.691 210 1HD2 LEU 28 HD21 LEU 28 -1.813 2.466 -0.576 211 2HD2 LEU 28 HD22 LEU 28 -0.474 1.361 -0.253 212 3HD2 LEU 28 HD23 LEU 28 -1.832 0.832 -1.243 213 H TYR 29 HN TYR 29 1.608 -1.050 -4.639 214 HA TYR 29 HA TYR 29 3.843 -0.774 -2.846 215 1HB TYR 29 HB2 TYR 29 2.655 -2.883 -2.959 216 2HB TYR 29 HB1 TYR 29 3.019 -3.034 -4.674 217 HD1 TYR 29 HD1 TYR 29 4.942 -2.443 -1.512 218 HD2 TYR 29 HD2 TYR 29 4.647 -4.567 -5.186 219 HE1 TYR 29 HE1 TYR 29 7.005 -3.670 -0.959 220 HE2 TYR 29 HE2 TYR 29 6.703 -5.802 -4.644 221 HH TYR 29 HH TYR 29 7.948 -6.112 -1.740 222 H LYS 30 HN LYS 30 3.545 -1.275 -6.372 223 HA LYS 30 HA LYS 30 6.312 -1.307 -6.895 224 1HB LYS 30 HB2 LYS 30 5.630 -0.769 -9.250 225 2HB LYS 30 HB1 LYS 30 4.821 -2.164 -8.547 226 1HG LYS 30 HG2 LYS 30 2.822 -0.958 -8.221 227 2HG LYS 30 HG1 LYS 30 3.607 0.581 -8.581 228 1HD LYS 30 HD2 LYS 30 3.415 -1.650 -10.591 229 2HD LYS 30 HD1 LYS 30 2.165 -0.418 -10.417 230 1HE LYS 30 HE2 LYS 30 4.305 1.172 -10.585 231 2HE LYS 30 HE1 LYS 30 4.908 -0.205 -11.506 232 1HZ LYS 30 HZ1 LYS 30 2.820 -0.055 -12.838 233 2HZ LYS 30 HZ2 LYS 30 3.864 1.262 -13.021 234 3HZ LYS 30 HZ3 LYS 30 2.482 1.407 -12.057 235 H LYS 31 HN LYS 31 3.998 1.353 -6.749 236 HA LYS 31 HA LYS 31 5.617 3.352 -7.862 237 1HB LYS 31 HB2 LYS 31 3.125 3.432 -7.322 238 2HB LYS 31 HB1 LYS 31 3.600 3.800 -5.671 239 1HG LYS 31 HG2 LYS 31 3.189 5.879 -6.607 240 2HG LYS 31 HG1 LYS 31 4.945 5.724 -6.690 241 1HD LYS 31 HD2 LYS 31 4.538 6.428 -8.822 242 2HD LYS 31 HD1 LYS 31 4.369 4.688 -9.061 243 1HE LYS 31 HE2 LYS 31 2.511 5.679 -10.132 244 2HE LYS 31 HE1 LYS 31 1.899 4.998 -8.626 245 1HZ LYS 31 HZ1 LYS 31 0.989 7.168 -8.908 246 2HZ LYS 31 HZ2 LYS 31 2.513 7.849 -9.173 247 3HZ LYS 31 HZ3 LYS 31 2.110 7.246 -7.644 248 H VAL 32 HN VAL 32 5.326 2.161 -4.562 249 HA VAL 32 HA VAL 32 7.162 4.112 -3.491 250 HB VAL 32 HB VAL 32 7.054 2.752 -1.420 251 1HG1 VAL 32 HG11 VAL 32 4.492 3.620 -2.721 252 2HG1 VAL 32 HG12 VAL 32 5.486 4.500 -1.559 253 3HG1 VAL 32 HG13 VAL 32 4.568 3.086 -1.042 254 1HG2 VAL 32 HG21 VAL 32 5.119 1.032 -2.954 255 2HG2 VAL 32 HG22 VAL 32 5.517 0.894 -1.244 256 3HG2 VAL 32 HG23 VAL 32 6.741 0.557 -2.459 257 H SER 33 HN SER 33 7.268 0.654 -4.322 258 HA SER 33 HA SER 33 10.025 0.373 -3.598 259 1HB SER 33 HB2 SER 33 7.978 -1.395 -4.012 260 2HB SER 33 HB1 SER 33 8.910 -1.584 -5.496 261 HG SER 33 HG SER 33 10.155 -1.617 -2.962 262 H ALA 34 HN ALA 34 8.852 2.249 -5.875 263 HA ALA 34 HA ALA 34 10.066 1.448 -8.278 264 1HB ALA 34 HB1 ALA 34 9.746 4.339 -7.675 265 2HB ALA 34 HB2 ALA 34 8.301 3.329 -7.705 266 3HB ALA 34 HB3 ALA 34 9.333 3.432 -9.131 267 H LYS 35 HN LYS 35 11.518 2.387 -5.397 268 HA LYS 35 HA LYS 35 13.866 3.504 -6.763 269 1HB LYS 35 HB2 LYS 35 12.937 3.585 -3.902 270 2HB LYS 35 HB1 LYS 35 14.576 4.028 -4.357 271 1HG LYS 35 HG2 LYS 35 13.943 5.996 -5.237 272 2HG LYS 35 HG1 LYS 35 12.451 5.336 -5.908 273 1HD LYS 35 HD2 LYS 35 11.245 5.785 -4.032 274 2HD LYS 35 HD1 LYS 35 12.622 5.537 -2.959 275 1HE LYS 35 HE2 LYS 35 11.881 7.882 -3.003 276 2HE LYS 35 HE1 LYS 35 13.537 7.691 -3.575 277 1HZ LYS 35 HZ1 LYS 35 11.280 8.756 -4.933 278 2HZ LYS 35 HZ2 LYS 35 11.956 7.482 -5.818 279 3HZ LYS 35 HZ3 LYS 35 12.914 8.803 -5.373 280 H THR 36 HN THR 36 12.738 0.618 -5.374 281 HA THR 36 HA THR 36 15.049 -0.830 -5.950 282 HB THR 36 HB THR 36 16.147 0.277 -4.131 283 HG1 THR 36 HG1 THR 36 15.316 -2.241 -3.138 284 1HG2 THR 36 HG21 THR 36 14.255 -0.717 -2.078 285 2HG2 THR 36 HG22 THR 36 13.850 0.759 -2.952 286 3HG2 THR 36 HG23 THR 36 15.354 0.660 -2.037 287 H SER 37 HN SER 37 14.950 -3.088 -5.132 288 HA SER 37 HA SER 37 12.162 -3.933 -4.991 289 1HB SER 37 HB2 SER 37 14.182 -4.884 -6.490 290 2HB SER 37 HB1 SER 37 14.345 -5.945 -5.091 291 HG SER 37 HG SER 37 12.879 -6.995 -6.249 292 H ASN 38 HN ASN 38 13.174 -2.749 -2.642 293 HA ASN 38 HA ASN 38 13.878 -4.845 -0.790 294 1HB ASN 38 HB2 ASN 38 13.679 -1.921 -0.693 295 2HB ASN 38 HB1 ASN 38 13.156 -2.723 0.783 296 1HD2 ASN 38 HD21 ASN 38 15.815 -1.931 -1.246 297 2HD2 ASN 38 HD22 ASN 38 17.060 -2.563 -0.228 298 H GLU 39 HN GLU 39 12.355 -6.316 -0.426 299 HA GLU 39 HA GLU 39 9.593 -5.967 -0.561 300 1HB GLU 39 HB2 GLU 39 9.611 -8.057 0.996 301 2HB GLU 39 HB1 GLU 39 10.230 -8.187 -0.643 302 1HG GLU 39 HG2 GLU 39 12.381 -8.461 0.045 303 2HG GLU 39 HG1 GLU 39 12.153 -7.502 1.507 304 H GLU 40 HN GLU 40 11.792 -5.471 2.108 305 HA GLU 40 HA GLU 40 9.667 -5.174 4.049 306 1HB GLU 40 HB2 GLU 40 12.364 -5.791 4.200 307 2HB GLU 40 HB1 GLU 40 12.277 -4.163 4.859 308 1HG GLU 40 HG2 GLU 40 10.547 -6.438 5.790 309 2HG GLU 40 HG1 GLU 40 12.080 -5.993 6.538 310 H ALA 41 HN ALA 41 11.355 -3.144 1.869 311 HA ALA 41 HA ALA 41 10.953 -0.677 3.306 312 1HB ALA 41 HB1 ALA 41 12.762 -1.252 1.560 313 2HB ALA 41 HB2 ALA 41 12.048 0.350 1.587 314 3HB ALA 41 HB3 ALA 41 11.521 -0.818 0.385 315 H ALA 42 HN ALA 42 9.858 -1.593 0.064 316 HA ALA 42 HA ALA 42 7.828 0.279 -0.115 317 1HB ALA 42 HB1 ALA 42 8.407 -2.282 -1.538 318 2HB ALA 42 HB2 ALA 42 8.508 -0.622 -2.124 319 3HB ALA 42 HB3 ALA 42 6.933 -1.377 -1.887 320 H GLY 43 HN GLY 43 7.716 -3.067 1.079 321 1HA GLY 43 HA2 GLY 43 4.889 -3.155 1.358 322 2HA GLY 43 HA1 GLY 43 6.041 -4.204 2.178 323 H LYS 44 HN LYS 44 7.450 -1.809 3.273 324 HA LYS 44 HA LYS 44 5.982 -1.628 5.715 325 1HB LYS 44 HB2 LYS 44 8.614 -0.786 4.721 326 2HB LYS 44 HB1 LYS 44 7.913 0.309 5.903 327 1HG LYS 44 HG2 LYS 44 8.090 -2.646 6.391 328 2HG LYS 44 HG1 LYS 44 9.415 -1.546 6.775 329 1HD LYS 44 HD2 LYS 44 8.404 -0.858 8.640 330 2HD LYS 44 HD1 LYS 44 6.895 -0.543 7.782 331 1HE LYS 44 HE2 LYS 44 6.356 -2.955 7.934 332 2HE LYS 44 HE1 LYS 44 7.823 -3.196 8.881 333 1HZ LYS 44 HZ1 LYS 44 6.943 -1.689 10.556 334 2HZ LYS 44 HZ2 LYS 44 5.885 -2.984 10.302 335 3HZ LYS 44 HZ3 LYS 44 5.533 -1.465 9.648 336 H ILE 45 HN ILE 45 7.139 0.989 3.566 337 HA ILE 45 HA ILE 45 5.445 2.923 4.681 338 HB ILE 45 HB ILE 45 5.976 4.332 2.785 339 1HG1 ILE 45 HG12 ILE 45 7.262 1.874 1.594 340 2HG1 ILE 45 HG11 ILE 45 5.838 2.710 0.972 341 1HG2 ILE 45 HG21 ILE 45 7.625 3.762 4.671 342 2HG2 ILE 45 HG22 ILE 45 8.243 4.585 3.240 343 3HG2 ILE 45 HG23 ILE 45 8.493 2.851 3.435 344 1HD1 ILE 45 HD11 ILE 45 8.449 3.144 0.214 345 2HD1 ILE 45 HD12 ILE 45 8.104 4.492 1.305 346 3HD1 ILE 45 HD13 ILE 45 7.077 4.210 -0.102 347 H THR 46 HN THR 46 4.963 0.687 2.006 348 HA THR 46 HA THR 46 2.646 1.806 0.901 349 HB THR 46 HB THR 46 3.504 -1.083 1.173 350 HG1 THR 46 HG1 THR 46 3.330 0.577 -1.113 351 1HG2 THR 46 HG21 THR 46 0.913 -0.097 0.378 352 2HG2 THR 46 HG22 THR 46 1.471 -1.754 0.607 353 3HG2 THR 46 HG23 THR 46 1.718 -0.946 -0.941 354 H GLY 47 HN GLY 47 3.201 -0.071 3.792 355 1HA GLY 47 HA2 GLY 47 0.535 -0.700 4.445 356 2HA GLY 47 HA1 GLY 47 1.865 -0.569 5.588 357 H MET 48 HN MET 48 2.461 2.194 4.856 358 HA MET 48 HA MET 48 0.668 3.486 6.662 359 1HB MET 48 HB2 MET 48 2.932 4.461 4.930 360 2HB MET 48 HB1 MET 48 1.943 5.575 5.866 361 1HG MET 48 HG2 MET 48 2.853 4.955 7.830 362 2HG MET 48 HG1 MET 48 3.029 3.271 7.342 363 1HE MET 48 HE1 MET 48 6.362 2.674 6.610 364 2HE MET 48 HE2 MET 48 4.838 2.288 7.408 365 3HE MET 48 HE3 MET 48 6.088 3.179 8.278 366 H ILE 49 HN ILE 49 1.250 3.733 3.151 367 HA ILE 49 HA ILE 49 -0.962 5.505 2.720 368 HB ILE 49 HB ILE 49 0.417 3.759 0.677 369 1HG1 ILE 49 HG12 ILE 49 1.167 6.593 0.792 370 2HG1 ILE 49 HG11 ILE 49 1.660 5.673 2.210 371 1HG2 ILE 49 HG21 ILE 49 -1.019 4.638 -0.762 372 2HG2 ILE 49 HG22 ILE 49 -0.425 6.250 -0.369 373 3HG2 ILE 49 HG23 ILE 49 -1.778 5.564 0.531 374 1HD1 ILE 49 HD11 ILE 49 3.463 5.590 0.706 375 2HD1 ILE 49 HD12 ILE 49 2.410 5.205 -0.656 376 3HD1 ILE 49 HD13 ILE 49 2.685 4.011 0.614 377 H LEU 50 HN LEU 50 -0.784 2.328 3.565 378 HA LEU 50 HA LEU 50 -2.828 1.177 1.941 379 1HB LEU 50 HB2 LEU 50 -0.950 0.258 3.777 380 2HB LEU 50 HB1 LEU 50 -2.492 -0.071 4.540 381 HG LEU 50 HG LEU 50 -1.677 -1.991 3.253 382 1HD1 LEU 50 HD11 LEU 50 -3.729 -2.239 1.777 383 2HD1 LEU 50 HD12 LEU 50 -4.174 -0.617 2.306 384 3HD1 LEU 50 HD13 LEU 50 -4.013 -1.917 3.487 385 1HD2 LEU 50 HD21 LEU 50 -1.033 -0.002 1.338 386 2HD2 LEU 50 HD22 LEU 50 -2.204 -1.099 0.605 387 3HD2 LEU 50 HD23 LEU 50 -0.703 -1.733 1.278 388 H ASP 51 HN ASP 51 -3.183 3.678 3.883 389 HA ASP 51 HA ASP 51 -5.335 2.874 5.576 390 1HB ASP 51 HB2 ASP 51 -3.698 4.917 5.775 391 2HB ASP 51 HB1 ASP 51 -4.890 5.721 4.757 392 H LEU 52 HN LEU 52 -5.062 3.680 2.256 393 HA LEU 52 HA LEU 52 -7.829 4.531 2.018 394 1HB LEU 52 HB2 LEU 52 -5.556 4.221 0.083 395 2HB LEU 52 HB1 LEU 52 -7.195 4.498 -0.474 396 HG LEU 52 HG LEU 52 -7.277 6.632 0.651 397 1HD1 LEU 52 HD11 LEU 52 -4.518 5.967 1.662 398 2HD1 LEU 52 HD12 LEU 52 -5.987 6.105 2.629 399 3HD1 LEU 52 HD13 LEU 52 -5.320 7.528 1.831 400 1HD2 LEU 52 HD21 LEU 52 -4.639 7.004 -0.515 401 2HD2 LEU 52 HD22 LEU 52 -6.199 7.661 -1.010 402 3HD2 LEU 52 HD23 LEU 52 -5.714 6.048 -1.533 403 HA PRO 53 HA PRO 53 -9.588 0.463 1.617 404 1HB PRO 53 HB2 PRO 53 -11.246 1.899 -0.418 405 2HB PRO 53 HB1 PRO 53 -11.753 0.815 0.884 406 1HG PRO 53 HG2 PRO 53 -12.021 3.453 1.129 407 2HG PRO 53 HG1 PRO 53 -11.541 2.452 2.510 408 1HD PRO 53 HD2 PRO 53 -9.910 4.308 0.863 409 2HD PRO 53 HD1 PRO 53 -9.731 3.854 2.567 410 HA PRO 54 HA PRO 54 -7.919 -1.659 -1.861 411 1HB PRO 54 HB2 PRO 54 -10.698 -2.495 -2.566 412 2HB PRO 54 HB1 PRO 54 -9.244 -3.480 -2.365 413 1HG PRO 54 HG2 PRO 54 -11.106 -3.432 -0.471 414 2HG PRO 54 HG1 PRO 54 -9.384 -3.450 -0.047 415 1HD PRO 54 HD2 PRO 54 -11.335 -1.194 0.029 416 2HD PRO 54 HD1 PRO 54 -9.972 -1.547 1.111 417 H GLN 55 HN GLN 55 -11.152 -0.599 -2.934 418 HA GLN 55 HA GLN 55 -10.175 0.081 -5.544 419 1HB GLN 55 HB2 GLN 55 -12.854 0.908 -4.466 420 2HB GLN 55 HB1 GLN 55 -12.402 0.544 -6.124 421 1HG GLN 55 HG2 GLN 55 -11.912 -1.838 -5.013 422 2HG GLN 55 HG1 GLN 55 -13.177 -1.263 -3.926 423 1HE2 GLN 55 HE21 GLN 55 -14.444 -3.024 -4.777 424 2HE2 GLN 55 HE22 GLN 55 -15.274 -2.836 -6.281 425 H GLU 56 HN GLU 56 -11.253 1.926 -2.722 426 HA GLU 56 HA GLU 56 -11.184 4.479 -3.855 427 1HB GLU 56 HB2 GLU 56 -11.932 3.511 -1.462 428 2HB GLU 56 HB1 GLU 56 -10.389 4.226 -1.016 429 1HG GLU 56 HG2 GLU 56 -11.653 6.051 -0.686 430 2HG GLU 56 HG1 GLU 56 -11.425 6.256 -2.421 431 H VAL 57 HN VAL 57 -8.571 2.412 -3.233 432 HA VAL 57 HA VAL 57 -6.668 4.554 -2.777 433 HB VAL 57 HB VAL 57 -6.446 2.320 -1.663 434 1HG1 VAL 57 HG11 VAL 57 -6.717 1.350 -4.274 435 2HG1 VAL 57 HG12 VAL 57 -6.405 0.425 -2.808 436 3HG1 VAL 57 HG13 VAL 57 -5.059 0.993 -3.794 437 1HG2 VAL 57 HG21 VAL 57 -4.012 2.191 -1.942 438 2HG2 VAL 57 HG22 VAL 57 -4.574 3.855 -1.779 439 3HG2 VAL 57 HG23 VAL 57 -4.128 3.227 -3.363 440 H PHE 58 HN PHE 58 -7.838 2.582 -5.392 441 HA PHE 58 HA PHE 58 -5.895 2.616 -7.279 442 1HB PHE 58 HB2 PHE 58 -8.832 3.162 -7.717 443 2HB PHE 58 HB1 PHE 58 -7.696 2.787 -8.999 444 HD1 PHE 58 HD1 PHE 58 -9.627 1.063 -9.317 445 HD2 PHE 58 HD2 PHE 58 -6.799 0.949 -6.141 446 HE1 PHE 58 HE1 PHE 58 -10.087 -1.327 -8.998 447 HE2 PHE 58 HE2 PHE 58 -7.257 -1.444 -5.816 448 HZ PHE 58 HZ PHE 58 -8.900 -2.576 -7.254 449 HA PRO 59 HA PRO 59 -7.257 7.061 -8.895 450 1HB PRO 59 HB2 PRO 59 -8.167 8.173 -6.291 451 2HB PRO 59 HB1 PRO 59 -8.779 8.475 -7.921 452 1HG PRO 59 HG2 PRO 59 -10.129 6.931 -6.224 453 2HG PRO 59 HG1 PRO 59 -10.044 6.536 -7.951 454 1HD PRO 59 HD2 PRO 59 -8.606 5.296 -5.647 455 2HD PRO 59 HD1 PRO 59 -9.243 4.547 -7.121 456 H LEU 60 HN LEU 60 -6.231 6.719 -5.527 457 HA LEU 60 HA LEU 60 -4.433 8.899 -5.536 458 1HB LEU 60 HB2 LEU 60 -5.188 8.142 -3.439 459 2HB LEU 60 HB1 LEU 60 -4.765 6.479 -3.793 460 HG LEU 60 HG LEU 60 -2.363 7.985 -3.904 461 1HD1 LEU 60 HD11 LEU 60 -2.325 9.389 -2.183 462 2HD1 LEU 60 HD12 LEU 60 -3.306 8.336 -1.166 463 3HD1 LEU 60 HD13 LEU 60 -4.080 9.392 -2.346 464 1HD2 LEU 60 HD21 LEU 60 -2.206 5.754 -3.296 465 2HD2 LEU 60 HD22 LEU 60 -3.520 5.878 -2.125 466 3HD2 LEU 60 HD23 LEU 60 -1.951 6.598 -1.768 467 H LEU 61 HN LEU 61 -3.878 5.399 -5.778 468 HA LEU 61 HA LEU 61 -1.105 5.619 -6.160 469 1HB LEU 61 HB2 LEU 61 -1.320 3.252 -7.053 470 2HB LEU 61 HB1 LEU 61 -1.832 3.548 -5.406 471 HG LEU 61 HG LEU 61 -4.189 3.863 -6.663 472 1HD1 LEU 61 HD11 LEU 61 -4.001 1.650 -8.191 473 2HD1 LEU 61 HD12 LEU 61 -2.445 2.410 -8.512 474 3HD1 LEU 61 HD13 LEU 61 -3.937 3.298 -8.810 475 1HD2 LEU 61 HD21 LEU 61 -4.248 1.199 -6.256 476 2HD2 LEU 61 HD22 LEU 61 -4.365 2.394 -4.969 477 3HD2 LEU 61 HD23 LEU 61 -2.815 1.634 -5.325 478 H GLU 62 HN GLU 62 -3.501 6.545 -8.303 479 HA GLU 62 HA GLU 62 -1.876 5.824 -10.638 480 1HB GLU 62 HB2 GLU 62 -4.762 6.527 -10.269 481 2HB GLU 62 HB1 GLU 62 -4.003 6.813 -11.828 482 1HG GLU 62 HG2 GLU 62 -3.543 4.149 -10.674 483 2HG GLU 62 HG1 GLU 62 -5.209 4.510 -11.120 484 H SER 63 HN SER 63 -2.634 8.435 -8.592 485 HA SER 63 HA SER 63 -1.739 10.389 -10.598 486 1HB SER 63 HB2 SER 63 -2.990 11.003 -7.922 487 2HB SER 63 HB1 SER 63 -2.808 12.084 -9.302 488 HG SER 63 HG SER 63 -4.588 11.311 -10.106 489 H ASP 64 HN ASP 64 0.278 11.137 -10.455 490 HA ASP 64 HA ASP 64 2.121 10.276 -8.546 491 1HB ASP 64 HB2 ASP 64 2.217 12.651 -10.409 492 2HB ASP 64 HB1 ASP 64 3.591 12.092 -9.461 493 H GLU 65 HN GLU 65 0.456 13.406 -8.803 494 HA GLU 65 HA GLU 65 1.666 14.602 -6.570 495 1HB GLU 65 HB2 GLU 65 -0.239 15.337 -8.479 496 2HB GLU 65 HB1 GLU 65 -1.071 15.480 -6.936 497 1HG GLU 65 HG2 GLU 65 1.201 16.709 -6.290 498 2HG GLU 65 HG1 GLU 65 1.198 17.028 -8.024 499 H LEU 66 HN LEU 66 -1.428 12.863 -6.853 500 HA LEU 66 HA LEU 66 -2.197 13.114 -4.170 501 1HB LEU 66 HB2 LEU 66 -3.237 11.951 -6.461 502 2HB LEU 66 HB1 LEU 66 -3.011 10.592 -5.376 503 HG LEU 66 HG LEU 66 -5.254 11.423 -5.139 504 1HD1 LEU 66 HD11 LEU 66 -4.422 12.607 -2.660 505 2HD1 LEU 66 HD12 LEU 66 -3.431 11.194 -3.025 506 3HD1 LEU 66 HD13 LEU 66 -5.187 11.045 -2.956 507 1HD2 LEU 66 HD21 LEU 66 -4.953 13.664 -5.986 508 2HD2 LEU 66 HD22 LEU 66 -3.975 14.096 -4.583 509 3HD2 LEU 66 HD23 LEU 66 -5.689 13.732 -4.384 510 H PHE 67 HN PHE 67 -0.040 10.873 -5.773 511 HA PHE 67 HA PHE 67 0.174 9.068 -3.552 512 1HB PHE 67 HB2 PHE 67 0.758 8.718 -6.113 513 2HB PHE 67 HB1 PHE 67 2.341 9.294 -5.601 514 HD1 PHE 67 HD1 PHE 67 3.816 7.891 -4.343 515 HD2 PHE 67 HD2 PHE 67 -0.189 6.679 -5.115 516 HE1 PHE 67 HE1 PHE 67 4.351 5.627 -3.550 517 HE2 PHE 67 HE2 PHE 67 0.343 4.412 -4.332 518 HZ PHE 67 HZ PHE 67 2.613 3.883 -3.542 519 H GLU 68 HN GLU 68 2.273 11.564 -4.941 520 HA GLU 68 HA GLU 68 4.443 11.485 -3.331 521 1HB GLU 68 HB2 GLU 68 2.977 13.729 -4.632 522 2HB GLU 68 HB1 GLU 68 4.282 14.121 -3.520 523 1HG GLU 68 HG2 GLU 68 4.797 12.102 -5.634 524 2HG GLU 68 HG1 GLU 68 4.699 13.800 -6.099 525 H GLN 69 HN GLN 69 1.456 13.273 -2.556 526 HA GLN 69 HA GLN 69 2.290 14.245 -0.068 527 1HB GLN 69 HB2 GLN 69 -0.178 14.105 -1.580 528 2HB GLN 69 HB1 GLN 69 -0.475 13.869 0.139 529 1HG GLN 69 HG2 GLN 69 0.118 15.985 0.675 530 2HG GLN 69 HG1 GLN 69 1.323 16.092 -0.607 531 1HE2 GLN 69 HE21 GLN 69 0.276 18.259 -0.746 532 2HE2 GLN 69 HE22 GLN 69 -1.085 18.417 -1.800 533 H HIS 70 HN HIS 70 0.171 11.465 -0.717 534 HA HIS 70 HA HIS 70 0.065 10.576 1.952 535 1HB HIS 70 HB2 HIS 70 -0.768 9.572 -0.659 536 2HB HIS 70 HB1 HIS 70 -0.272 8.280 0.431 537 HD2 HIS 70 HD2 HIS 70 -3.246 10.596 -0.185 538 HE1 HIS 70 HE1 HIS 70 -3.939 8.645 3.522 539 HE2 HIS 70 HE2 HIS 70 -4.909 10.152 1.749 540 H TYR 71 HN TYR 71 2.017 9.378 -0.771 541 HA TYR 71 HA TYR 71 3.519 7.555 0.769 542 1HB TYR 71 HB2 TYR 71 3.671 7.004 -1.438 543 2HB TYR 71 HB1 TYR 71 3.635 8.675 -1.973 544 HD1 TYR 71 HD1 TYR 71 5.578 9.678 -2.747 545 HD2 TYR 71 HD2 TYR 71 5.869 6.184 -0.338 546 HE1 TYR 71 HE1 TYR 71 7.996 9.590 -3.180 547 HE2 TYR 71 HE2 TYR 71 8.290 6.087 -0.761 548 HH TYR 71 HH TYR 71 9.925 8.575 -2.693 549 H LYS 72 HN LYS 72 3.568 10.931 0.730 550 HA LYS 72 HA LYS 72 6.315 11.477 1.075 551 1HB LYS 72 HB2 LYS 72 4.208 13.070 0.766 552 2HB LYS 72 HB1 LYS 72 4.266 13.098 2.519 553 1HG LYS 72 HG2 LYS 72 6.735 13.657 0.937 554 2HG LYS 72 HG1 LYS 72 5.515 14.912 1.162 555 1HD LYS 72 HD2 LYS 72 6.168 15.283 3.262 556 2HD LYS 72 HD1 LYS 72 6.109 13.564 3.653 557 1HE LYS 72 HE2 LYS 72 8.328 13.586 3.767 558 2HE LYS 72 HE1 LYS 72 8.363 13.878 2.029 559 1HZ LYS 72 HZ1 LYS 72 7.904 16.339 3.008 560 2HZ LYS 72 HZ2 LYS 72 9.433 15.739 2.609 561 3HZ LYS 72 HZ3 LYS 72 8.898 15.688 4.212 562 H GLU 73 HN GLU 73 3.751 11.449 3.544 563 HA GLU 73 HA GLU 73 5.357 11.501 5.786 564 1HB GLU 73 HB2 GLU 73 2.667 11.352 5.340 565 2HB GLU 73 HB1 GLU 73 2.987 9.768 6.032 566 1HG GLU 73 HG2 GLU 73 4.128 12.131 7.409 567 2HG GLU 73 HG1 GLU 73 2.387 11.872 7.517 568 H ALA 74 HN ALA 74 4.394 8.761 3.803 569 HA ALA 74 HA ALA 74 5.479 6.780 5.532 570 1HB ALA 74 HB1 ALA 74 4.771 5.246 3.986 571 2HB ALA 74 HB2 ALA 74 5.148 6.292 2.615 572 3HB ALA 74 HB3 ALA 74 3.715 6.603 3.595 573 H SER 75 HN SER 75 6.744 8.792 2.993 574 HA SER 75 HA SER 75 9.042 7.313 2.341 575 1HB SER 75 HB2 SER 75 9.663 9.126 1.087 576 2HB SER 75 HB1 SER 75 7.971 9.548 1.336 577 HG SER 75 HG SER 75 8.535 11.065 2.764 578 H ALA 76 HN ALA 76 8.636 10.019 4.625 579 HA ALA 76 HA ALA 76 11.178 10.129 5.674 580 1HB ALA 76 HB1 ALA 76 9.015 11.505 6.209 581 2HB ALA 76 HB2 ALA 76 10.309 11.373 7.400 582 3HB ALA 76 HB3 ALA 76 8.869 10.365 7.547 583 H ALA 77 HN ALA 77 8.607 7.855 6.415 584 HA ALA 77 HA ALA 77 10.064 6.565 8.553 585 1HB ALA 77 HB1 ALA 77 7.712 5.359 7.157 586 2HB ALA 77 HB2 ALA 77 7.505 6.726 8.252 587 3HB ALA 77 HB3 ALA 77 8.199 5.217 8.845 588 H TYR 78 HN TYR 78 10.057 6.434 5.198 589 HA TYR 78 HA TYR 78 10.628 3.722 4.675 590 1HB TYR 78 HB2 TYR 78 9.949 5.592 3.050 591 2HB TYR 78 HB1 TYR 78 11.633 6.087 3.090 592 HD1 TYR 78 HD1 TYR 78 9.925 5.178 0.698 593 HD2 TYR 78 HD2 TYR 78 12.688 3.134 3.195 594 HE1 TYR 78 HE1 TYR 78 10.428 3.624 -1.141 595 HE2 TYR 78 HE2 TYR 78 13.198 1.575 1.384 596 HH TYR 78 HH TYR 78 11.691 0.805 -0.873 597 H GLU 79 HN GLU 79 12.713 6.564 5.029 598 HA GLU 79 HA GLU 79 15.156 5.155 4.795 599 1HB GLU 79 HB2 GLU 79 14.377 7.890 5.715 600 2HB GLU 79 HB1 GLU 79 16.023 7.325 5.976 601 1HG GLU 79 HG2 GLU 79 16.409 7.081 3.660 602 2HG GLU 79 HG1 GLU 79 14.697 7.271 3.284 603 H SER 80 HN SER 80 13.294 6.216 7.615 604 HA SER 80 HA SER 80 15.156 5.597 9.570 605 1HB SER 80 HB2 SER 80 12.287 6.140 9.465 606 2HB SER 80 HB1 SER 80 12.738 5.059 10.784 607 HG SER 80 HG SER 80 14.438 6.716 11.206 608 H PHE 81 HN PHE 81 12.582 3.567 8.204 609 HA PHE 81 HA PHE 81 13.229 1.294 9.774 610 1HB PHE 81 HB2 PHE 81 11.265 2.010 7.778 611 2HB PHE 81 HB1 PHE 81 11.891 0.391 7.484 612 HD1 PHE 81 HD1 PHE 81 9.892 2.486 9.666 613 HD2 PHE 81 HD2 PHE 81 11.641 -1.362 9.180 614 HE1 PHE 81 HE1 PHE 81 8.431 1.603 11.438 615 HE2 PHE 81 HE2 PHE 81 10.182 -2.254 10.949 616 HZ PHE 81 HZ PHE 81 8.574 -0.770 12.082 617 H LYS 82 HN LYS 82 13.916 2.191 6.404 618 HA LYS 82 HA LYS 82 15.254 -0.162 5.683 619 1HB LYS 82 HB2 LYS 82 15.045 2.576 4.605 620 2HB LYS 82 HB1 LYS 82 16.473 1.675 4.115 621 1HG LYS 82 HG2 LYS 82 14.263 -0.064 3.866 622 2HG LYS 82 HG1 LYS 82 13.813 1.476 3.137 623 1HD LYS 82 HD2 LYS 82 16.280 -0.141 2.500 624 2HD LYS 82 HD1 LYS 82 14.840 -0.004 1.491 625 1HE LYS 82 HE2 LYS 82 15.778 2.615 2.139 626 2HE LYS 82 HE1 LYS 82 17.125 1.660 1.523 627 1HZ LYS 82 HZ1 LYS 82 16.318 1.798 -0.522 628 2HZ LYS 82 HZ2 LYS 82 15.164 2.898 0.043 629 3HZ LYS 82 HZ3 LYS 82 14.791 1.251 -0.043 630 H LYS 83 HN LYS 83 16.655 2.980 6.642 631 HA LYS 83 HA LYS 83 19.297 1.924 6.810 632 1HB LYS 83 HB2 LYS 83 18.175 4.507 7.904 633 2HB LYS 83 HB1 LYS 83 19.883 4.111 7.773 634 1HG LYS 83 HG2 LYS 83 18.845 3.707 5.215 635 2HG LYS 83 HG1 LYS 83 18.089 5.191 5.796 636 1HD LYS 83 HD2 LYS 83 20.860 5.229 6.495 637 2HD LYS 83 HD1 LYS 83 20.708 4.839 4.781 638 1HE LYS 83 HE2 LYS 83 19.100 7.078 5.922 639 2HE LYS 83 HE1 LYS 83 20.811 7.332 5.584 640 1HZ LYS 83 HZ1 LYS 83 20.456 6.775 3.301 641 2HZ LYS 83 HZ2 LYS 83 19.327 7.957 3.732 642 3HZ LYS 83 HZ3 LYS 83 18.847 6.341 3.590 643 H GLU 84 HN GLU 84 16.676 1.537 8.831 644 HA GLU 84 HA GLU 84 17.758 1.826 11.396 645 1HB GLU 84 HB2 GLU 84 15.333 1.033 10.364 646 2HB GLU 84 HB1 GLU 84 15.936 -0.452 11.083 647 1HG GLU 84 HG2 GLU 84 16.128 0.572 13.223 648 2HG GLU 84 HG1 GLU 84 15.784 2.165 12.553 649 H GLN 85 HN GLN 85 17.175 -1.289 9.779 650 HA GLN 85 HA GLN 85 18.954 -2.715 11.437 651 1HB GLN 85 HB2 GLN 85 18.018 -3.507 8.678 652 2HB GLN 85 HB1 GLN 85 18.597 -4.578 9.947 653 1HG GLN 85 HG2 GLN 85 16.559 -3.394 11.235 654 2HG GLN 85 HG1 GLN 85 15.961 -3.324 9.578 655 1HE2 GLN 85 HE21 GLN 85 14.819 -4.999 8.957 656 2HE2 GLN 85 HE22 GLN 85 14.933 -6.605 9.584 657 H GLU 86 HN GLU 86 20.914 -1.549 11.410 658 HA GLU 86 HA GLU 86 22.387 -1.388 8.905 659 1HB GLU 86 HB2 GLU 86 22.413 0.033 11.386 660 2HB GLU 86 HB1 GLU 86 24.015 -0.638 11.117 661 1HG GLU 86 HG2 GLU 86 22.614 0.847 8.935 662 2HG GLU 86 HG1 GLU 86 23.448 1.717 10.222 663 H GLN 87 HN GLN 87 21.721 -3.961 10.385 664 HA GLN 87 HA GLN 87 24.382 -4.961 11.032 665 1HB GLN 87 HB2 GLN 87 21.599 -5.802 11.588 666 2HB GLN 87 HB1 GLN 87 22.756 -7.103 11.351 667 1HG GLN 87 HG2 GLN 87 24.096 -5.439 13.056 668 2HG GLN 87 HG1 GLN 87 22.424 -5.265 13.589 669 1HE2 GLN 87 HE21 GLN 87 22.636 -6.353 15.489 670 2HE2 GLN 87 HE22 GLN 87 22.961 -8.046 15.591 671 H GLN 88 HN GLN 88 21.702 -5.593 8.798 672 HA GLN 88 HA GLN 88 23.309 -7.527 7.337 673 1HB GLN 88 HB2 GLN 88 20.503 -7.031 7.684 674 2HB GLN 88 HB1 GLN 88 20.882 -7.023 5.967 675 1HG GLN 88 HG2 GLN 88 20.423 -9.233 6.306 676 2HG GLN 88 HG1 GLN 88 22.172 -9.217 6.531 677 1HE2 GLN 88 HE21 GLN 88 19.089 -9.180 8.227 678 2HE2 GLN 88 HE22 GLN 88 19.672 -9.905 9.682 679 H THR 89 HN THR 89 24.813 -5.581 6.944 680 HA THR 89 HA THR 89 23.981 -4.197 4.482 681 HB THR 89 HB THR 89 24.475 -2.710 6.411 682 HG1 THR 89 HG1 THR 89 26.089 -1.446 5.232 683 1HG2 THR 89 HG21 THR 89 27.324 -2.816 6.312 684 2HG2 THR 89 HG22 THR 89 26.691 -4.388 6.800 685 3HG2 THR 89 HG23 THR 89 26.250 -2.939 7.705 686 H GLU 90 HN GLU 90 26.845 -3.364 4.128 687 HA GLU 90 HA GLU 90 27.646 -5.598 2.514 688 1HB GLU 90 HB2 GLU 90 29.611 -4.125 1.974 689 2HB GLU 90 HB1 GLU 90 28.039 -3.423 1.615 690 1HG GLU 90 HG2 GLU 90 28.139 -2.061 3.593 691 2HG GLU 90 HG1 GLU 90 29.634 -2.845 4.099 692 H GLN 91 HN GLN 91 29.251 -7.042 2.861 693 HA GLN 91 HA GLN 91 30.270 -7.267 5.559 694 1HB GLN 91 HB2 GLN 91 29.425 -9.189 4.078 695 2HB GLN 91 HB1 GLN 91 30.969 -9.064 3.246 696 1HG GLN 91 HG2 GLN 91 32.168 -9.630 5.222 697 2HG GLN 91 HG1 GLN 91 30.710 -9.509 6.207 698 1HE2 GLN 91 HE21 GLN 91 32.496 -11.752 5.957 699 2HE2 GLN 91 HE22 GLN 91 31.561 -13.072 5.350 700 H ALA 92 HN ALA 92 32.393 -7.125 6.202 701 HA ALA 92 HA ALA 92 34.113 -5.528 4.512 702 1HB ALA 92 HB1 ALA 92 35.021 -4.816 6.422 703 2HB ALA 92 HB2 ALA 92 35.287 -6.458 7.008 704 3HB ALA 92 HB3 ALA 92 33.718 -5.685 7.233 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -37.172 -13.607 8.263 2 2H GLY 1 HT2 GLY 1 -36.993 -14.123 6.663 3 3H GLY 1 HT3 GLY 1 -36.663 -15.187 7.935 4 1HA GLY 1 HA1 GLY 1 -39.002 -15.102 8.618 5 2HA GLY 1 HA2 GLY 1 -39.322 -14.066 7.235 6 HA PRO 2 HA PRO 2 -40.387 -17.504 4.702 7 1HB PRO 2 HB2 PRO 2 -38.514 -16.333 2.694 8 2HB PRO 2 HB1 PRO 2 -40.199 -16.832 2.505 9 1HG PRO 2 HG2 PRO 2 -39.567 -14.255 2.689 10 2HG PRO 2 HG1 PRO 2 -41.022 -14.892 3.478 11 1HD PRO 2 HD2 PRO 2 -38.406 -14.105 4.674 12 2HD PRO 2 HD1 PRO 2 -40.044 -13.958 5.341 13 H LEU 3 HN LEU 3 -39.418 -19.326 3.474 14 HA LEU 3 HA LEU 3 -37.018 -20.241 4.812 15 1HB LEU 3 HB2 LEU 3 -39.218 -21.461 3.279 16 2HB LEU 3 HB1 LEU 3 -37.657 -22.229 3.063 17 HG LEU 3 HG LEU 3 -38.891 -23.353 4.813 18 1HD1 LEU 3 HD11 LEU 3 -37.200 -23.478 6.394 19 2HD1 LEU 3 HD12 LEU 3 -36.815 -21.762 6.267 20 3HD1 LEU 3 HD13 LEU 3 -36.361 -22.865 4.969 21 1HD2 LEU 3 HD21 LEU 3 -39.925 -22.347 6.580 22 2HD2 LEU 3 HD22 LEU 3 -40.089 -21.067 5.378 23 3HD2 LEU 3 HD23 LEU 3 -38.815 -20.976 6.594 24 H GLY 4 HN GLY 4 -35.123 -20.953 3.765 25 1HA GLY 4 HA2 GLY 4 -34.634 -19.569 1.217 26 2HA GLY 4 HA1 GLY 4 -33.399 -20.066 2.364 27 H SER 5 HN SER 5 -32.125 -21.400 1.225 28 HA SER 5 HA SER 5 -33.274 -23.336 -0.603 29 1HB SER 5 HB2 SER 5 -30.717 -23.950 -0.772 30 2HB SER 5 HB1 SER 5 -31.331 -22.480 -1.528 31 HG SER 5 HG SER 5 -30.219 -22.575 1.079 32 HA PRO 6 HA PRO 6 -33.477 -26.476 2.566 33 1HB PRO 6 HB2 PRO 6 -33.894 -28.602 0.891 34 2HB PRO 6 HB1 PRO 6 -35.163 -27.486 1.402 35 1HG PRO 6 HG2 PRO 6 -33.612 -27.556 -1.151 36 2HG PRO 6 HG1 PRO 6 -35.334 -27.224 -0.892 37 1HD PRO 6 HD2 PRO 6 -33.530 -25.261 -1.340 38 2HD PRO 6 HD1 PRO 6 -34.953 -25.028 -0.305 39 H ARG 7 HN ARG 7 -31.825 -27.535 -0.423 40 HA ARG 7 HA ARG 7 -29.876 -28.985 1.178 41 1HB ARG 7 HB2 ARG 7 -30.065 -28.796 -1.831 42 2HB ARG 7 HB1 ARG 7 -29.145 -29.970 -0.899 43 1HG ARG 7 HG2 ARG 7 -31.051 -31.125 -0.237 44 2HG ARG 7 HG1 ARG 7 -32.117 -29.770 -0.611 45 1HD ARG 7 HD2 ARG 7 -32.347 -31.543 -2.262 46 2HD ARG 7 HD1 ARG 7 -31.688 -30.082 -2.994 47 HE ARG 7 HE ARG 7 -29.451 -31.251 -2.681 48 1HH1 ARG 7 HH11 ARG 7 -32.437 -32.979 -3.267 49 2HH1 ARG 7 HH12 ARG 7 -31.648 -34.326 -4.011 50 1HH2 ARG 7 HH21 ARG 7 -28.427 -33.022 -3.663 51 2HH2 ARG 7 HH22 ARG 7 -29.376 -34.351 -4.236 52 H ASN 8 HN ASN 8 -27.685 -28.573 1.213 53 HA ASN 8 HA ASN 8 -26.926 -25.839 0.754 54 1HB ASN 8 HB2 ASN 8 -25.426 -28.237 1.810 55 2HB ASN 8 HB1 ASN 8 -24.685 -26.651 1.623 56 1HD2 ASN 8 HD21 ASN 8 -25.902 -24.842 2.688 57 2HD2 ASN 8 HD22 ASN 8 -26.564 -25.160 4.253 58 H ALA 9 HN ALA 9 -25.758 -25.010 -0.872 59 HA ALA 9 HA ALA 9 -25.191 -26.716 -3.149 60 1HB ALA 9 HB1 ALA 9 -24.587 -23.788 -3.061 61 2HB ALA 9 HB2 ALA 9 -26.254 -24.352 -3.179 62 3HB ALA 9 HB3 ALA 9 -25.085 -24.787 -4.426 63 H ASN 10 HN ASN 10 -23.059 -25.670 -4.369 64 HA ASN 10 HA ASN 10 -20.870 -26.456 -2.603 65 1HB ASN 10 HB2 ASN 10 -21.265 -26.346 -5.558 66 2HB ASN 10 HB1 ASN 10 -19.624 -26.198 -4.937 67 1HD2 ASN 10 HD21 ASN 10 -21.033 -28.325 -6.478 68 2HD2 ASN 10 HD22 ASN 10 -20.763 -29.774 -5.578 69 H ASP 11 HN ASP 11 -19.020 -25.197 -2.282 70 HA ASP 11 HA ASP 11 -19.499 -22.343 -2.394 71 1HB ASP 11 HB2 ASP 11 -17.315 -24.025 -1.168 72 2HB ASP 11 HB1 ASP 11 -17.265 -22.265 -1.173 73 H ASN 12 HN ASN 12 -18.653 -20.959 -3.810 74 HA ASN 12 HA ASN 12 -16.850 -22.012 -5.856 75 1HB ASN 12 HB2 ASN 12 -19.043 -20.204 -5.877 76 2HB ASN 12 HB1 ASN 12 -17.613 -19.299 -6.361 77 1HD2 ASN 12 HD21 ASN 12 -19.918 -20.050 -7.938 78 2HD2 ASN 12 HD22 ASN 12 -19.322 -20.992 -9.258 79 H ASN 13 HN ASN 13 -14.763 -21.502 -5.948 80 HA ASN 13 HA ASN 13 -13.805 -19.245 -4.310 81 1HB ASN 13 HB2 ASN 13 -12.693 -22.000 -4.716 82 2HB ASN 13 HB1 ASN 13 -11.602 -20.668 -4.348 83 1HD2 ASN 13 HD21 ASN 13 -12.420 -19.276 -2.459 84 2HD2 ASN 13 HD22 ASN 13 -12.963 -20.152 -1.072 85 H GLN 14 HN GLN 14 -14.632 -19.263 -7.134 86 HA GLN 14 HA GLN 14 -12.108 -18.923 -8.563 87 1HB GLN 14 HB2 GLN 14 -14.208 -20.115 -9.496 88 2HB GLN 14 HB1 GLN 14 -14.837 -18.491 -9.745 89 1HG GLN 14 HG2 GLN 14 -12.416 -18.240 -10.890 90 2HG GLN 14 HG1 GLN 14 -12.729 -19.949 -11.186 91 1HE2 GLN 14 HE21 GLN 14 -13.046 -19.809 -13.355 92 2HE2 GLN 14 HE22 GLN 14 -14.374 -18.974 -14.079 93 H PHE 15 HN PHE 15 -15.119 -17.046 -8.157 94 HA PHE 15 HA PHE 15 -13.650 -14.598 -8.757 95 1HB PHE 15 HB2 PHE 15 -16.425 -15.475 -8.955 96 2HB PHE 15 HB1 PHE 15 -16.279 -13.883 -8.216 97 HD1 PHE 15 HD1 PHE 15 -16.355 -15.703 -11.258 98 HD2 PHE 15 HD2 PHE 15 -14.852 -12.147 -9.465 99 HE1 PHE 15 HE1 PHE 15 -16.080 -14.699 -13.487 100 HE2 PHE 15 HE2 PHE 15 -14.575 -11.137 -11.691 101 HZ PHE 15 HZ PHE 15 -15.190 -12.413 -13.706 102 H TYR 16 HN TYR 16 -13.304 -16.099 -6.210 103 HA TYR 16 HA TYR 16 -14.565 -14.557 -4.153 104 1HB TYR 16 HB2 TYR 16 -13.892 -16.899 -3.793 105 2HB TYR 16 HB1 TYR 16 -12.204 -16.445 -3.998 106 HD1 TYR 16 HD1 TYR 16 -15.082 -15.122 -2.000 107 HD2 TYR 16 HD2 TYR 16 -11.038 -16.444 -2.018 108 HE1 TYR 16 HE1 TYR 16 -14.923 -14.649 0.407 109 HE2 TYR 16 HE2 TYR 16 -10.868 -15.976 0.391 110 HH TYR 16 HH TYR 16 -12.863 -15.841 2.386 111 H GLN 17 HN GLN 17 -11.307 -14.692 -5.551 112 HA GLN 17 HA GLN 17 -10.467 -12.404 -3.959 113 1HB GLN 17 HB2 GLN 17 -9.112 -14.429 -5.662 114 2HB GLN 17 HB1 GLN 17 -8.345 -12.853 -5.527 115 1HG GLN 17 HG2 GLN 17 -8.131 -13.067 -3.172 116 2HG GLN 17 HG1 GLN 17 -9.157 -14.501 -3.148 117 1HE2 GLN 17 HE21 GLN 17 -6.150 -13.295 -4.590 118 2HE2 GLN 17 HE22 GLN 17 -5.295 -14.793 -4.482 119 H GLN 18 HN GLN 18 -10.767 -10.396 -4.645 120 HA GLN 18 HA GLN 18 -11.765 -9.753 -7.200 121 1HB GLN 18 HB2 GLN 18 -10.617 -8.107 -4.959 122 2HB GLN 18 HB1 GLN 18 -11.121 -7.367 -6.472 123 1HG GLN 18 HG2 GLN 18 -13.088 -9.156 -5.216 124 2HG GLN 18 HG1 GLN 18 -12.721 -7.674 -4.334 125 1HE2 GLN 18 HE21 GLN 18 -14.213 -6.215 -4.726 126 2HE2 GLN 18 HE22 GLN 18 -14.921 -5.865 -6.262 127 H LYS 19 HN LYS 19 -10.719 -9.696 -9.071 128 HA LYS 19 HA LYS 19 -7.840 -9.685 -9.148 129 1HB LYS 19 HB2 LYS 19 -9.866 -9.688 -11.387 130 2HB LYS 19 HB1 LYS 19 -8.131 -9.887 -11.596 131 1HG LYS 19 HG2 LYS 19 -8.130 -11.987 -10.578 132 2HG LYS 19 HG1 LYS 19 -9.717 -11.733 -9.850 133 1HD LYS 19 HD2 LYS 19 -10.674 -11.686 -12.162 134 2HD LYS 19 HD1 LYS 19 -9.087 -12.169 -12.764 135 1HE LYS 19 HE2 LYS 19 -10.119 -14.212 -12.578 136 2HE LYS 19 HE1 LYS 19 -9.340 -14.086 -11.002 137 1HZ LYS 19 HZ1 LYS 19 -11.324 -13.704 -9.949 138 2HZ LYS 19 HZ2 LYS 19 -11.828 -14.751 -11.178 139 3HZ LYS 19 HZ3 LYS 19 -12.082 -13.085 -11.330 140 H GLN 20 HN GLN 20 -10.395 -7.406 -9.563 141 HA GLN 20 HA GLN 20 -8.745 -5.438 -10.891 142 1HB GLN 20 HB2 GLN 20 -11.546 -5.335 -9.766 143 2HB GLN 20 HB1 GLN 20 -10.760 -3.962 -10.533 144 1HG GLN 20 HG2 GLN 20 -10.427 -5.581 -12.524 145 2HG GLN 20 HG1 GLN 20 -11.698 -6.522 -11.747 146 1HE2 GLN 20 HE21 GLN 20 -13.715 -6.032 -12.245 147 2HE2 GLN 20 HE22 GLN 20 -14.252 -4.562 -12.974 148 H ARG 21 HN ARG 21 -9.826 -6.202 -7.665 149 HA ARG 21 HA ARG 21 -9.178 -3.758 -6.401 150 1HB ARG 21 HB2 ARG 21 -10.555 -5.781 -5.543 151 2HB ARG 21 HB1 ARG 21 -9.000 -6.412 -5.016 152 1HG ARG 21 HG2 ARG 21 -9.125 -3.734 -4.163 153 2HG ARG 21 HG1 ARG 21 -10.680 -4.472 -3.775 154 1HD ARG 21 HD2 ARG 21 -9.579 -5.117 -1.912 155 2HD ARG 21 HD1 ARG 21 -9.040 -6.429 -2.957 156 HE ARG 21 HE ARG 21 -7.320 -4.130 -3.029 157 1HH1 ARG 21 HH11 ARG 21 -8.061 -7.089 -1.336 158 2HH1 ARG 21 HH12 ARG 21 -6.469 -7.259 -0.676 159 1HH2 ARG 21 HH21 ARG 21 -5.221 -4.352 -2.165 160 2HH2 ARG 21 HH22 ARG 21 -4.857 -5.705 -1.147 161 H GLN 22 HN GLN 22 -7.442 -6.856 -6.117 162 HA GLN 22 HA GLN 22 -5.099 -5.758 -5.051 163 1HB GLN 22 HB2 GLN 22 -5.422 -8.327 -6.610 164 2HB GLN 22 HB1 GLN 22 -4.069 -7.924 -5.560 165 1HG GLN 22 HG2 GLN 22 -6.639 -7.691 -4.225 166 2HG GLN 22 HG1 GLN 22 -6.327 -9.312 -4.842 167 1HE2 GLN 22 HE21 GLN 22 -5.836 -10.415 -3.052 168 2HE2 GLN 22 HE22 GLN 22 -4.561 -10.014 -1.957 169 H ALA 23 HN ALA 23 -6.246 -5.807 -8.288 170 HA ALA 23 HA ALA 23 -3.828 -5.805 -9.712 171 1HB ALA 23 HB1 ALA 23 -5.749 -4.091 -10.976 172 2HB ALA 23 HB2 ALA 23 -6.552 -5.515 -10.319 173 3HB ALA 23 HB3 ALA 23 -5.209 -5.702 -11.447 174 H LEU 24 HN LEU 24 -5.872 -2.930 -9.342 175 HA LEU 24 HA LEU 24 -3.757 -1.131 -9.800 176 1HB LEU 24 HB2 LEU 24 -6.583 -0.952 -9.062 177 2HB LEU 24 HB1 LEU 24 -5.604 0.341 -8.397 178 HG LEU 24 HG LEU 24 -6.519 1.095 -10.468 179 1HD1 LEU 24 HD11 LEU 24 -4.592 2.147 -10.759 180 2HD1 LEU 24 HD12 LEU 24 -4.048 0.802 -11.760 181 3HD1 LEU 24 HD13 LEU 24 -3.700 0.813 -10.031 182 1HD2 LEU 24 HD21 LEU 24 -6.101 -0.063 -12.583 183 2HD2 LEU 24 HD22 LEU 24 -7.020 -1.068 -11.463 184 3HD2 LEU 24 HD23 LEU 24 -5.299 -1.369 -11.709 185 H GLY 25 HN GLY 25 -5.031 -2.577 -6.864 186 1HA GLY 25 HA2 GLY 25 -3.863 -0.836 -4.996 187 2HA GLY 25 HA1 GLY 25 -4.248 -2.528 -4.700 188 H GLU 26 HN GLU 26 -2.549 -3.565 -6.777 189 HA GLU 26 HA GLU 26 -0.141 -3.828 -5.346 190 1HB GLU 26 HB2 GLU 26 -1.333 -5.006 -7.625 191 2HB GLU 26 HB1 GLU 26 0.241 -4.411 -8.138 192 1HG GLU 26 HG2 GLU 26 0.713 -5.654 -5.697 193 2HG GLU 26 HG1 GLU 26 -0.434 -6.705 -6.527 194 H GLN 27 HN GLN 27 -1.209 -1.672 -7.878 195 HA GLN 27 HA GLN 27 1.267 -0.643 -8.695 196 1HB GLN 27 HB2 GLN 27 -1.549 0.249 -8.838 197 2HB GLN 27 HB1 GLN 27 -0.324 1.493 -9.036 198 1HG GLN 27 HG2 GLN 27 0.331 -0.813 -10.611 199 2HG GLN 27 HG1 GLN 27 -1.310 -0.274 -10.962 200 1HE2 GLN 27 HE21 GLN 27 -0.964 0.582 -12.936 201 2HE2 GLN 27 HE22 GLN 27 0.054 1.945 -13.240 202 H LEU 28 HN LEU 28 -0.659 -0.079 -5.859 203 HA LEU 28 HA LEU 28 0.491 2.361 -5.029 204 1HB LEU 28 HB2 LEU 28 -1.570 1.154 -4.081 205 2HB LEU 28 HB1 LEU 28 -0.435 0.183 -3.163 206 HG LEU 28 HG LEU 28 0.467 2.460 -2.302 207 1HD1 LEU 28 HD11 LEU 28 -1.175 4.236 -2.233 208 2HD1 LEU 28 HD12 LEU 28 -2.287 3.273 -3.201 209 3HD1 LEU 28 HD13 LEU 28 -0.768 3.832 -3.896 210 1HD2 LEU 28 HD21 LEU 28 -0.475 1.666 -0.457 211 2HD2 LEU 28 HD22 LEU 28 -1.604 0.707 -1.414 212 3HD2 LEU 28 HD23 LEU 28 -2.019 2.361 -0.955 213 H TYR 29 HN TYR 29 1.349 -1.015 -4.510 214 HA TYR 29 HA TYR 29 3.569 -0.503 -2.799 215 1HB TYR 29 HB2 TYR 29 2.579 -2.667 -2.695 216 2HB TYR 29 HB1 TYR 29 2.744 -2.906 -4.429 217 HD1 TYR 29 HD1 TYR 29 4.405 -4.341 -5.117 218 HD2 TYR 29 HD2 TYR 29 4.948 -2.210 -1.476 219 HE1 TYR 29 HE1 TYR 29 6.535 -5.513 -4.755 220 HE2 TYR 29 HE2 TYR 29 7.087 -3.373 -1.108 221 HH TYR 29 HH TYR 29 8.739 -4.959 -3.413 222 H LYS 30 HN LYS 30 3.298 -1.125 -6.297 223 HA LYS 30 HA LYS 30 6.054 -1.138 -6.848 224 1HB LYS 30 HB2 LYS 30 3.865 -0.208 -8.710 225 2HB LYS 30 HB1 LYS 30 5.454 -0.805 -9.165 226 1HG LYS 30 HG2 LYS 30 4.816 -2.942 -9.038 227 2HG LYS 30 HG1 LYS 30 3.923 -2.684 -7.537 228 1HD LYS 30 HD2 LYS 30 1.971 -2.292 -8.610 229 2HD LYS 30 HD1 LYS 30 2.752 -1.494 -9.973 230 1HE LYS 30 HE2 LYS 30 3.598 -3.871 -10.555 231 2HE LYS 30 HE1 LYS 30 2.309 -4.413 -9.480 232 1HZ LYS 30 HZ1 LYS 30 1.974 -3.942 -12.085 233 2HZ LYS 30 HZ2 LYS 30 1.528 -2.438 -11.453 234 3HZ LYS 30 HZ3 LYS 30 0.727 -3.838 -10.945 235 H LYS 31 HN LYS 31 3.741 1.495 -6.577 236 HA LYS 31 HA LYS 31 5.312 3.537 -7.684 237 1HB LYS 31 HB2 LYS 31 2.797 3.462 -6.872 238 2HB LYS 31 HB1 LYS 31 3.489 4.129 -5.402 239 1HG LYS 31 HG2 LYS 31 3.118 6.094 -6.415 240 2HG LYS 31 HG1 LYS 31 4.628 5.731 -7.252 241 1HD LYS 31 HD2 LYS 31 3.227 4.581 -9.014 242 2HD LYS 31 HD1 LYS 31 1.816 5.296 -8.232 243 1HE LYS 31 HE2 LYS 31 2.178 6.994 -9.658 244 2HE LYS 31 HE1 LYS 31 3.413 7.467 -8.492 245 1HZ LYS 31 HZ1 LYS 31 3.815 6.935 -11.137 246 2HZ LYS 31 HZ2 LYS 31 4.376 5.536 -10.369 247 3HZ LYS 31 HZ3 LYS 31 5.017 7.046 -9.953 248 H VAL 32 HN VAL 32 5.191 2.201 -4.436 249 HA VAL 32 HA VAL 32 7.046 4.161 -3.382 250 HB VAL 32 HB VAL 32 7.004 2.791 -1.337 251 1HG1 VAL 32 HG11 VAL 32 5.223 3.975 -0.737 252 2HG1 VAL 32 HG12 VAL 32 4.159 2.923 -1.670 253 3HG1 VAL 32 HG13 VAL 32 4.924 4.310 -2.442 254 1HG2 VAL 32 HG21 VAL 32 5.724 0.848 -1.100 255 2HG2 VAL 32 HG22 VAL 32 6.628 0.626 -2.592 256 3HG2 VAL 32 HG23 VAL 32 4.926 1.080 -2.655 257 H SER 33 HN SER 33 7.135 0.782 -4.443 258 HA SER 33 HA SER 33 9.886 0.437 -3.742 259 1HB SER 33 HB2 SER 33 7.848 -1.289 -4.279 260 2HB SER 33 HB1 SER 33 8.744 -1.347 -5.796 261 HG SER 33 HG SER 33 10.425 -2.219 -4.794 262 H ALA 34 HN ALA 34 8.684 2.475 -5.901 263 HA ALA 34 HA ALA 34 9.959 1.870 -8.329 264 1HB ALA 34 HB1 ALA 34 8.287 3.878 -7.385 265 2HB ALA 34 HB2 ALA 34 8.914 3.705 -9.023 266 3HB ALA 34 HB3 ALA 34 9.767 4.714 -7.856 267 H LYS 35 HN LYS 35 11.373 2.487 -5.390 268 HA LYS 35 HA LYS 35 13.715 3.804 -6.570 269 1HB LYS 35 HB2 LYS 35 12.757 4.841 -4.551 270 2HB LYS 35 HB1 LYS 35 13.002 3.341 -3.667 271 1HG LYS 35 HG2 LYS 35 15.435 4.296 -4.933 272 2HG LYS 35 HG1 LYS 35 14.750 5.461 -3.799 273 1HD LYS 35 HD2 LYS 35 14.520 3.132 -2.401 274 2HD LYS 35 HD1 LYS 35 16.011 2.858 -3.304 275 1HE LYS 35 HE2 LYS 35 16.146 5.494 -2.333 276 2HE LYS 35 HE1 LYS 35 15.554 4.506 -0.998 277 1HZ LYS 35 HZ1 LYS 35 17.496 3.400 -0.837 278 2HZ LYS 35 HZ2 LYS 35 18.125 4.794 -1.560 279 3HZ LYS 35 HZ3 LYS 35 17.799 3.427 -2.502 280 H THR 36 HN THR 36 12.566 0.784 -5.425 281 HA THR 36 HA THR 36 14.769 -0.666 -6.302 282 HB THR 36 HB THR 36 16.040 0.272 -4.482 283 HG1 THR 36 HG1 THR 36 16.644 -1.783 -4.657 284 1HG2 THR 36 HG21 THR 36 14.680 1.029 -2.816 285 2HG2 THR 36 HG22 THR 36 15.260 -0.476 -2.103 286 3HG2 THR 36 HG23 THR 36 13.660 -0.411 -2.843 287 H SER 37 HN SER 37 14.691 -2.983 -5.553 288 HA SER 37 HA SER 37 11.900 -3.782 -5.364 289 1HB SER 37 HB2 SER 37 14.378 -4.960 -6.392 290 2HB SER 37 HB1 SER 37 13.366 -6.112 -5.521 291 HG SER 37 HG SER 37 11.721 -5.737 -6.933 292 H ASN 38 HN ASN 38 12.986 -2.651 -3.018 293 HA ASN 38 HA ASN 38 13.633 -4.788 -1.188 294 1HB ASN 38 HB2 ASN 38 13.619 -1.873 -1.100 295 2HB ASN 38 HB1 ASN 38 12.978 -2.604 0.368 296 1HD2 ASN 38 HD21 ASN 38 15.626 -3.280 -1.896 297 2HD2 ASN 38 HD22 ASN 38 16.831 -3.497 -0.676 298 H GLU 39 HN GLU 39 12.040 -6.198 -0.782 299 HA GLU 39 HA GLU 39 9.287 -5.579 -0.811 300 1HB GLU 39 HB2 GLU 39 10.924 -7.904 0.098 301 2HB GLU 39 HB1 GLU 39 9.236 -7.821 0.585 302 1HG GLU 39 HG2 GLU 39 8.633 -8.646 -1.370 303 2HG GLU 39 HG1 GLU 39 9.349 -7.254 -2.182 304 H GLU 40 HN GLU 40 11.713 -5.351 1.659 305 HA GLU 40 HA GLU 40 9.798 -5.151 3.817 306 1HB GLU 40 HB2 GLU 40 12.785 -4.694 3.742 307 2HB GLU 40 HB1 GLU 40 11.803 -4.632 5.199 308 1HG GLU 40 HG2 GLU 40 11.116 -6.997 4.706 309 2HG GLU 40 HG1 GLU 40 12.350 -7.009 3.448 310 H ALA 41 HN ALA 41 11.484 -3.054 1.651 311 HA ALA 41 HA ALA 41 11.092 -0.643 3.172 312 1HB ALA 41 HB1 ALA 41 12.965 -0.665 1.744 313 2HB ALA 41 HB2 ALA 41 11.792 0.414 0.996 314 3HB ALA 41 HB3 ALA 41 11.997 -1.210 0.374 315 H ALA 42 HN ALA 42 10.050 -1.330 -0.136 316 HA ALA 42 HA ALA 42 8.017 0.528 -0.256 317 1HB ALA 42 HB1 ALA 42 7.115 -1.240 -2.028 318 2HB ALA 42 HB2 ALA 42 8.734 -1.901 -1.790 319 3HB ALA 42 HB3 ALA 42 8.530 -0.234 -2.326 320 H GLY 43 HN GLY 43 7.886 -2.855 0.785 321 1HA GLY 43 HA2 GLY 43 5.069 -2.987 1.043 322 2HA GLY 43 HA1 GLY 43 6.231 -4.048 1.831 323 H LYS 44 HN LYS 44 7.589 -1.692 3.045 324 HA LYS 44 HA LYS 44 6.097 -1.646 5.478 325 1HB LYS 44 HB2 LYS 44 8.705 -1.305 4.894 326 2HB LYS 44 HB1 LYS 44 8.221 0.372 5.053 327 1HG LYS 44 HG2 LYS 44 7.687 -1.716 7.146 328 2HG LYS 44 HG1 LYS 44 9.116 -0.683 7.132 329 1HD LYS 44 HD2 LYS 44 7.972 0.951 8.110 330 2HD LYS 44 HD1 LYS 44 6.803 0.951 6.787 331 1HE LYS 44 HE2 LYS 44 5.368 -0.501 7.888 332 2HE LYS 44 HE1 LYS 44 6.638 -1.112 8.947 333 1HZ LYS 44 HZ1 LYS 44 5.958 0.331 10.462 334 2HZ LYS 44 HZ2 LYS 44 4.832 1.006 9.397 335 3HZ LYS 44 HZ3 LYS 44 6.411 1.609 9.448 336 H ILE 45 HN ILE 45 7.200 1.064 3.444 337 HA ILE 45 HA ILE 45 5.493 2.946 4.590 338 HB ILE 45 HB ILE 45 5.893 4.308 2.543 339 1HG1 ILE 45 HG12 ILE 45 7.544 1.926 1.688 340 2HG1 ILE 45 HG11 ILE 45 6.072 2.500 0.900 341 1HG2 ILE 45 HG21 ILE 45 7.484 3.868 4.622 342 2HG2 ILE 45 HG22 ILE 45 7.950 4.920 3.287 343 3HG2 ILE 45 HG23 ILE 45 8.545 3.263 3.350 344 1HD1 ILE 45 HD11 ILE 45 8.518 3.168 0.083 345 2HD1 ILE 45 HD12 ILE 45 8.243 4.471 1.245 346 3HD1 ILE 45 HD13 ILE 45 7.122 4.235 -0.094 347 H THR 46 HN THR 46 4.941 0.653 1.994 348 HA THR 46 HA THR 46 2.584 1.799 0.955 349 HB THR 46 HB THR 46 3.520 -1.074 1.060 350 HG1 THR 46 HG1 THR 46 4.543 -0.533 -0.666 351 1HG2 THR 46 HG21 THR 46 1.559 -1.783 0.336 352 2HG2 THR 46 HG22 THR 46 1.723 -0.731 -1.069 353 3HG2 THR 46 HG23 THR 46 0.911 -0.143 0.382 354 H GLY 47 HN GLY 47 3.245 -0.175 3.773 355 1HA GLY 47 HA2 GLY 47 0.610 -0.950 4.388 356 2HA GLY 47 HA1 GLY 47 1.928 -0.793 5.546 357 H MET 48 HN MET 48 2.391 2.019 4.964 358 HA MET 48 HA MET 48 0.497 3.142 6.780 359 1HB MET 48 HB2 MET 48 2.760 4.262 5.146 360 2HB MET 48 HB1 MET 48 1.659 5.335 6.003 361 1HG MET 48 HG2 MET 48 3.188 5.123 7.634 362 2HG MET 48 HG1 MET 48 2.268 3.663 7.996 363 1HE MET 48 HE1 MET 48 6.501 4.118 7.456 364 2HE MET 48 HE2 MET 48 5.241 5.345 7.354 365 3HE MET 48 HE3 MET 48 5.881 4.615 5.883 366 H ILE 49 HN ILE 49 1.127 3.488 3.300 367 HA ILE 49 HA ILE 49 -1.141 5.186 2.855 368 HB ILE 49 HB ILE 49 0.375 3.599 0.780 369 1HG1 ILE 49 HG12 ILE 49 1.194 6.352 0.945 370 2HG1 ILE 49 HG11 ILE 49 1.407 5.582 2.513 371 1HG2 ILE 49 HG21 ILE 49 -0.924 6.279 0.430 372 2HG2 ILE 49 HG22 ILE 49 -1.830 4.783 0.234 373 3HG2 ILE 49 HG23 ILE 49 -0.443 5.113 -0.798 374 1HD1 ILE 49 HD11 ILE 49 3.293 4.701 1.782 375 2HD1 ILE 49 HD12 ILE 49 3.016 5.378 0.178 376 3HD1 ILE 49 HD13 ILE 49 2.383 3.782 0.583 377 H LEU 50 HN LEU 50 -0.988 2.060 3.722 378 HA LEU 50 HA LEU 50 -2.863 0.872 1.908 379 1HB LEU 50 HB2 LEU 50 -1.129 -0.042 3.905 380 2HB LEU 50 HB1 LEU 50 -2.736 -0.421 4.493 381 HG LEU 50 HG LEU 50 -1.905 -2.323 3.306 382 1HD1 LEU 50 HD11 LEU 50 -3.561 -2.473 1.431 383 2HD1 LEU 50 HD12 LEU 50 -3.963 -0.784 1.741 384 3HD1 LEU 50 HD13 LEU 50 -4.237 -2.001 2.990 385 1HD2 LEU 50 HD21 LEU 50 -0.951 -0.282 1.429 386 2HD2 LEU 50 HD22 LEU 50 -1.622 -1.725 0.670 387 3HD2 LEU 50 HD23 LEU 50 -0.289 -1.870 1.816 388 H ASP 51 HN ASP 51 -3.394 3.374 3.760 389 HA ASP 51 HA ASP 51 -5.711 2.542 5.248 390 1HB ASP 51 HB2 ASP 51 -4.264 4.373 6.057 391 2HB ASP 51 HB1 ASP 51 -4.679 5.321 4.632 392 H LEU 52 HN LEU 52 -5.000 3.738 2.074 393 HA LEU 52 HA LEU 52 -7.565 4.794 1.464 394 1HB LEU 52 HB2 LEU 52 -5.320 3.744 -0.251 395 2HB LEU 52 HB1 LEU 52 -6.802 4.383 -0.933 396 HG LEU 52 HG LEU 52 -5.159 6.111 -1.023 397 1HD1 LEU 52 HD11 LEU 52 -6.694 6.940 1.390 398 2HD1 LEU 52 HD12 LEU 52 -7.562 6.555 -0.096 399 3HD1 LEU 52 HD13 LEU 52 -6.348 7.834 -0.090 400 1HD2 LEU 52 HD21 LEU 52 -3.689 5.137 0.736 401 2HD2 LEU 52 HD22 LEU 52 -4.773 5.813 1.950 402 3HD2 LEU 52 HD23 LEU 52 -3.896 6.883 0.855 403 HA PRO 53 HA PRO 53 -9.869 1.006 1.307 404 1HB PRO 53 HB2 PRO 53 -11.494 2.290 -0.792 405 2HB PRO 53 HB1 PRO 53 -11.986 1.634 0.767 406 1HG PRO 53 HG2 PRO 53 -11.859 4.291 0.282 407 2HG PRO 53 HG1 PRO 53 -11.566 3.590 1.882 408 1HD PRO 53 HD2 PRO 53 -9.636 4.698 -0.084 409 2HD PRO 53 HD1 PRO 53 -9.548 4.654 1.687 410 HA PRO 54 HA PRO 54 -8.542 -1.605 -1.946 411 1HB PRO 54 HB2 PRO 54 -11.433 -1.943 -2.652 412 2HB PRO 54 HB1 PRO 54 -10.174 -3.160 -2.456 413 1HG PRO 54 HG2 PRO 54 -11.938 -2.756 -0.526 414 2HG PRO 54 HG1 PRO 54 -10.232 -3.050 -0.142 415 1HD PRO 54 HD2 PRO 54 -11.786 -0.516 -0.042 416 2HD PRO 54 HD1 PRO 54 -10.419 -1.046 0.960 417 H GLN 55 HN GLN 55 -11.509 -0.352 -3.448 418 HA GLN 55 HA GLN 55 -10.135 0.155 -5.910 419 1HB GLN 55 HB2 GLN 55 -12.962 0.788 -5.052 420 2HB GLN 55 HB1 GLN 55 -12.341 1.028 -6.679 421 1HG GLN 55 HG2 GLN 55 -13.383 -0.998 -6.883 422 2HG GLN 55 HG1 GLN 55 -11.729 -1.496 -6.528 423 1HE2 GLN 55 HE21 GLN 55 -11.542 -3.020 -5.065 424 2HE2 GLN 55 HE22 GLN 55 -12.656 -3.354 -3.786 425 H GLU 56 HN GLU 56 -11.288 2.131 -3.240 426 HA GLU 56 HA GLU 56 -11.081 4.646 -4.485 427 1HB GLU 56 HB2 GLU 56 -11.322 3.648 -1.732 428 2HB GLU 56 HB1 GLU 56 -10.568 5.223 -1.877 429 1HG GLU 56 HG2 GLU 56 -12.631 6.035 -1.866 430 2HG GLU 56 HG1 GLU 56 -12.746 5.444 -3.524 431 H VAL 57 HN VAL 57 -8.624 2.481 -3.623 432 HA VAL 57 HA VAL 57 -6.659 4.548 -3.118 433 HB VAL 57 HB VAL 57 -6.593 2.355 -1.923 434 1HG1 VAL 57 HG11 VAL 57 -6.473 0.395 -2.964 435 2HG1 VAL 57 HG12 VAL 57 -5.164 0.945 -4.009 436 3HG1 VAL 57 HG13 VAL 57 -6.839 1.266 -4.451 437 1HG2 VAL 57 HG21 VAL 57 -4.169 2.149 -2.017 438 2HG2 VAL 57 HG22 VAL 57 -4.658 3.845 -2.046 439 3HG2 VAL 57 HG23 VAL 57 -4.148 3.051 -3.529 440 H PHE 58 HN PHE 58 -7.787 2.608 -5.766 441 HA PHE 58 HA PHE 58 -5.645 2.566 -7.489 442 1HB PHE 58 HB2 PHE 58 -8.505 3.127 -8.304 443 2HB PHE 58 HB1 PHE 58 -7.227 2.566 -9.360 444 HD1 PHE 58 HD1 PHE 58 -9.340 0.987 -9.701 445 HD2 PHE 58 HD2 PHE 58 -6.734 0.918 -6.339 446 HE1 PHE 58 HE1 PHE 58 -10.002 -1.332 -9.241 447 HE2 PHE 58 HE2 PHE 58 -7.396 -1.403 -5.872 448 HZ PHE 58 HZ PHE 58 -9.030 -2.524 -7.330 449 HA PRO 59 HA PRO 59 -6.951 6.982 -9.248 450 1HB PRO 59 HB2 PRO 59 -8.159 8.051 -6.746 451 2HB PRO 59 HB1 PRO 59 -8.606 8.349 -8.430 452 1HG PRO 59 HG2 PRO 59 -10.085 6.755 -6.901 453 2HG PRO 59 HG1 PRO 59 -9.791 6.363 -8.605 454 1HD PRO 59 HD2 PRO 59 -8.570 5.183 -6.149 455 2HD PRO 59 HD1 PRO 59 -9.033 4.402 -7.670 456 H LEU 60 HN LEU 60 -6.114 6.487 -5.858 457 HA LEU 60 HA LEU 60 -4.431 8.779 -5.655 458 1HB LEU 60 HB2 LEU 60 -5.335 7.913 -3.641 459 2HB LEU 60 HB1 LEU 60 -4.771 6.292 -3.999 460 HG LEU 60 HG LEU 60 -2.439 7.813 -3.899 461 1HD1 LEU 60 HD11 LEU 60 -4.369 9.290 -2.571 462 2HD1 LEU 60 HD12 LEU 60 -2.618 9.474 -2.474 463 3HD1 LEU 60 HD13 LEU 60 -3.464 8.468 -1.301 464 1HD2 LEU 60 HD21 LEU 60 -3.731 5.669 -2.421 465 2HD2 LEU 60 HD22 LEU 60 -2.664 6.644 -1.411 466 3HD2 LEU 60 HD23 LEU 60 -2.039 5.875 -2.870 467 H LEU 61 HN LEU 61 -3.721 5.300 -5.824 468 HA LEU 61 HA LEU 61 -0.946 5.617 -6.084 469 1HB LEU 61 HB2 LEU 61 -1.058 3.230 -6.992 470 2HB LEU 61 HB1 LEU 61 -1.606 3.519 -5.360 471 HG LEU 61 HG LEU 61 -3.943 3.755 -6.745 472 1HD1 LEU 61 HD11 LEU 61 -2.111 1.988 -8.263 473 2HD1 LEU 61 HD12 LEU 61 -3.373 3.068 -8.843 474 3HD1 LEU 61 HD13 LEU 61 -3.804 1.526 -8.108 475 1HD2 LEU 61 HD21 LEU 61 -3.112 1.032 -5.927 476 2HD2 LEU 61 HD22 LEU 61 -4.577 1.931 -5.542 477 3HD2 LEU 61 HD23 LEU 61 -3.066 2.301 -4.711 478 H GLU 62 HN GLU 62 -3.225 6.532 -8.313 479 HA GLU 62 HA GLU 62 -1.546 5.805 -10.605 480 1HB GLU 62 HB2 GLU 62 -4.399 6.762 -10.405 481 2HB GLU 62 HB1 GLU 62 -3.539 6.644 -11.933 482 1HG GLU 62 HG2 GLU 62 -3.959 4.340 -10.053 483 2HG GLU 62 HG1 GLU 62 -5.008 4.708 -11.419 484 H SER 63 HN SER 63 -2.255 8.398 -8.536 485 HA SER 63 HA SER 63 -1.300 10.348 -10.522 486 1HB SER 63 HB2 SER 63 -3.465 10.968 -9.655 487 2HB SER 63 HB1 SER 63 -2.913 10.747 -7.993 488 HG SER 63 HG SER 63 -1.658 12.590 -9.724 489 H ASP 64 HN ASP 64 0.656 11.200 -10.272 490 HA ASP 64 HA ASP 64 2.435 10.334 -8.277 491 1HB ASP 64 HB2 ASP 64 2.764 11.490 -10.680 492 2HB ASP 64 HB1 ASP 64 3.004 12.904 -9.659 493 H GLU 65 HN GLU 65 0.834 13.483 -8.725 494 HA GLU 65 HA GLU 65 1.868 14.772 -6.484 495 1HB GLU 65 HB2 GLU 65 -0.666 15.098 -8.057 496 2HB GLU 65 HB1 GLU 65 -0.385 16.066 -6.615 497 1HG GLU 65 HG2 GLU 65 1.496 17.113 -7.556 498 2HG GLU 65 HG1 GLU 65 1.593 15.936 -8.865 499 H LEU 66 HN LEU 66 -1.247 13.074 -6.791 500 HA LEU 66 HA LEU 66 -2.051 13.350 -4.132 501 1HB LEU 66 HB2 LEU 66 -3.062 12.178 -6.434 502 2HB LEU 66 HB1 LEU 66 -2.877 10.828 -5.329 503 HG LEU 66 HG LEU 66 -5.123 11.781 -5.204 504 1HD1 LEU 66 HD11 LEU 66 -5.266 11.455 -2.983 505 2HD1 LEU 66 HD12 LEU 66 -4.025 12.654 -2.620 506 3HD1 LEU 66 HD13 LEU 66 -3.561 11.033 -3.138 507 1HD2 LEU 66 HD21 LEU 66 -5.594 13.986 -4.718 508 2HD2 LEU 66 HD22 LEU 66 -4.165 14.147 -5.738 509 3HD2 LEU 66 HD23 LEU 66 -4.016 14.273 -3.984 510 H PHE 67 HN PHE 67 0.229 11.201 -5.597 511 HA PHE 67 HA PHE 67 0.282 9.335 -3.412 512 1HB PHE 67 HB2 PHE 67 0.955 8.946 -5.907 513 2HB PHE 67 HB1 PHE 67 2.515 9.586 -5.397 514 HD1 PHE 67 HD1 PHE 67 4.078 8.184 -4.373 515 HD2 PHE 67 HD2 PHE 67 -0.005 7.002 -4.572 516 HE1 PHE 67 HE1 PHE 67 4.676 5.973 -3.477 517 HE2 PHE 67 HE2 PHE 67 0.594 4.798 -3.679 518 HZ PHE 67 HZ PHE 67 2.918 4.275 -3.128 519 H GLU 68 HN GLU 68 2.489 11.849 -4.613 520 HA GLU 68 HA GLU 68 4.560 11.680 -2.878 521 1HB GLU 68 HB2 GLU 68 3.184 14.088 -4.033 522 2HB GLU 68 HB1 GLU 68 4.604 14.256 -3.006 523 1HG GLU 68 HG2 GLU 68 5.645 12.526 -4.656 524 2HG GLU 68 HG1 GLU 68 4.361 13.077 -5.731 525 H GLN 69 HN GLN 69 1.499 13.378 -2.194 526 HA GLN 69 HA GLN 69 2.178 14.324 0.348 527 1HB GLN 69 HB2 GLN 69 -0.548 13.514 -0.676 528 2HB GLN 69 HB1 GLN 69 -0.244 14.511 0.740 529 1HG GLN 69 HG2 GLN 69 0.903 15.392 -1.848 530 2HG GLN 69 HG1 GLN 69 -0.837 15.551 -1.610 531 1HE2 GLN 69 HE21 GLN 69 -1.263 17.582 -1.139 532 2HE2 GLN 69 HE22 GLN 69 -0.409 18.564 -0.004 533 H HIS 70 HN HIS 70 0.196 11.472 -0.422 534 HA HIS 70 HA HIS 70 0.133 10.497 2.223 535 1HB HIS 70 HB2 HIS 70 -0.616 9.470 -0.437 536 2HB HIS 70 HB1 HIS 70 -0.207 8.228 0.742 537 HD2 HIS 70 HD2 HIS 70 -3.150 10.436 -0.212 538 HE1 HIS 70 HE1 HIS 70 -4.017 8.858 3.632 539 HE2 HIS 70 HE2 HIS 70 -4.943 10.050 1.613 540 H TYR 71 HN TYR 71 2.090 9.442 -0.552 541 HA TYR 71 HA TYR 71 3.660 7.600 0.880 542 1HB TYR 71 HB2 TYR 71 3.773 7.237 -1.387 543 2HB TYR 71 HB1 TYR 71 3.817 8.950 -1.771 544 HD1 TYR 71 HD1 TYR 71 5.876 10.097 -2.053 545 HD2 TYR 71 HD2 TYR 71 5.855 6.079 -0.655 546 HE1 TYR 71 HE1 TYR 71 8.299 9.962 -2.427 547 HE2 TYR 71 HE2 TYR 71 8.283 5.932 -1.024 548 HH TYR 71 HH TYR 71 10.075 8.547 -2.566 549 H LYS 72 HN LYS 72 3.665 11.006 0.946 550 HA LYS 72 HA LYS 72 6.394 11.560 1.353 551 1HB LYS 72 HB2 LYS 72 3.965 13.012 1.416 552 2HB LYS 72 HB1 LYS 72 4.757 13.296 2.956 553 1HG LYS 72 HG2 LYS 72 5.950 13.759 0.232 554 2HG LYS 72 HG1 LYS 72 5.371 14.995 1.350 555 1HD LYS 72 HD2 LYS 72 7.488 15.082 2.075 556 2HD LYS 72 HD1 LYS 72 7.122 13.566 2.903 557 1HE LYS 72 HE2 LYS 72 8.486 12.402 1.574 558 2HE LYS 72 HE1 LYS 72 7.836 13.156 0.118 559 1HZ LYS 72 HZ1 LYS 72 9.274 15.159 1.124 560 2HZ LYS 72 HZ2 LYS 72 9.885 14.037 0.016 561 3HZ LYS 72 HZ3 LYS 72 10.189 13.844 1.669 562 H GLU 73 HN GLU 73 3.820 11.372 3.800 563 HA GLU 73 HA GLU 73 5.389 11.430 6.058 564 1HB GLU 73 HB2 GLU 73 2.709 11.119 5.536 565 2HB GLU 73 HB1 GLU 73 3.124 9.578 6.274 566 1HG GLU 73 HG2 GLU 73 2.949 10.536 8.254 567 2HG GLU 73 HG1 GLU 73 4.349 11.529 7.854 568 H ALA 74 HN ALA 74 4.627 8.687 3.988 569 HA ALA 74 HA ALA 74 5.796 6.753 5.742 570 1HB ALA 74 HB1 ALA 74 4.005 6.302 4.034 571 2HB ALA 74 HB2 ALA 74 5.353 5.169 4.052 572 3HB ALA 74 HB3 ALA 74 5.264 6.414 2.803 573 H SER 75 HN SER 75 6.918 8.683 3.033 574 HA SER 75 HA SER 75 9.281 7.338 2.425 575 1HB SER 75 HB2 SER 75 9.805 9.143 1.133 576 2HB SER 75 HB1 SER 75 8.113 9.531 1.427 577 HG SER 75 HG SER 75 10.423 10.654 2.564 578 H ALA 76 HN ALA 76 8.841 10.060 4.702 579 HA ALA 76 HA ALA 76 11.405 10.225 5.701 580 1HB ALA 76 HB1 ALA 76 9.630 11.784 6.330 581 2HB ALA 76 HB2 ALA 76 10.433 11.129 7.757 582 3HB ALA 76 HB3 ALA 76 8.849 10.520 7.281 583 H ALA 77 HN ALA 77 8.853 7.965 6.562 584 HA ALA 77 HA ALA 77 10.380 6.656 8.630 585 1HB ALA 77 HB1 ALA 77 8.068 5.308 7.357 586 2HB ALA 77 HB2 ALA 77 7.767 6.811 8.229 587 3HB ALA 77 HB3 ALA 77 8.505 5.439 9.060 588 H TYR 78 HN TYR 78 10.278 6.528 5.269 589 HA TYR 78 HA TYR 78 10.858 3.822 4.729 590 1HB TYR 78 HB2 TYR 78 10.150 5.716 3.124 591 2HB TYR 78 HB1 TYR 78 11.847 6.166 3.107 592 HD1 TYR 78 HD1 TYR 78 9.968 5.221 0.814 593 HD2 TYR 78 HD2 TYR 78 12.899 3.247 3.176 594 HE1 TYR 78 HE1 TYR 78 10.351 3.626 -1.019 595 HE2 TYR 78 HE2 TYR 78 13.299 1.647 1.370 596 HH TYR 78 HH TYR 78 12.946 1.792 -1.330 597 H GLU 79 HN GLU 79 12.931 6.677 5.047 598 HA GLU 79 HA GLU 79 15.380 5.292 4.776 599 1HB GLU 79 HB2 GLU 79 14.540 8.013 5.604 600 2HB GLU 79 HB1 GLU 79 16.146 7.492 6.097 601 1HG GLU 79 HG2 GLU 79 16.952 7.864 4.074 602 2HG GLU 79 HG1 GLU 79 15.711 6.850 3.339 603 H SER 80 HN SER 80 13.529 6.303 7.616 604 HA SER 80 HA SER 80 15.395 5.639 9.556 605 1HB SER 80 HB2 SER 80 12.574 6.284 9.467 606 2HB SER 80 HB1 SER 80 12.899 5.043 10.677 607 HG SER 80 HG SER 80 14.354 6.412 11.662 608 H PHE 81 HN PHE 81 12.698 3.677 8.311 609 HA PHE 81 HA PHE 81 13.363 1.342 9.735 610 1HB PHE 81 HB2 PHE 81 11.423 2.141 7.754 611 2HB PHE 81 HB1 PHE 81 12.055 0.541 7.376 612 HD1 PHE 81 HD1 PHE 81 10.447 2.550 10.036 613 HD2 PHE 81 HD2 PHE 81 11.368 -1.343 8.585 614 HE1 PHE 81 HE1 PHE 81 8.962 1.570 11.736 615 HE2 PHE 81 HE2 PHE 81 9.882 -2.331 10.282 616 HZ PHE 81 HZ PHE 81 8.678 -0.873 11.860 617 H LYS 82 HN LYS 82 14.219 2.450 6.482 618 HA LYS 82 HA LYS 82 15.531 0.094 5.655 619 1HB LYS 82 HB2 LYS 82 15.282 2.851 4.701 620 2HB LYS 82 HB1 LYS 82 16.822 2.108 4.299 621 1HG LYS 82 HG2 LYS 82 14.416 0.480 3.789 622 2HG LYS 82 HG1 LYS 82 14.646 1.901 2.767 623 1HD LYS 82 HD2 LYS 82 17.154 0.615 2.978 624 2HD LYS 82 HD1 LYS 82 15.957 -0.637 2.642 625 1HE LYS 82 HE2 LYS 82 15.117 0.959 0.807 626 2HE LYS 82 HE1 LYS 82 16.661 1.785 1.019 627 1HZ LYS 82 HZ1 LYS 82 16.298 -1.070 0.299 628 2HZ LYS 82 HZ2 LYS 82 17.788 -0.311 0.540 629 3HZ LYS 82 HZ3 LYS 82 16.796 0.161 -0.747 630 H LYS 83 HN LYS 83 16.679 3.009 7.290 631 HA LYS 83 HA LYS 83 19.405 2.040 7.343 632 1HB LYS 83 HB2 LYS 83 18.221 4.491 8.653 633 2HB LYS 83 HB1 LYS 83 19.932 4.147 8.436 634 1HG LYS 83 HG2 LYS 83 18.232 4.198 6.009 635 2HG LYS 83 HG1 LYS 83 18.581 5.736 6.801 636 1HD LYS 83 HD2 LYS 83 20.639 5.763 5.953 637 2HD LYS 83 HD1 LYS 83 20.978 4.161 6.612 638 1HE LYS 83 HE2 LYS 83 21.268 4.043 4.249 639 2HE LYS 83 HE1 LYS 83 19.779 3.189 4.645 640 1HZ LYS 83 HZ1 LYS 83 20.166 5.503 3.009 641 2HZ LYS 83 HZ2 LYS 83 18.973 5.753 4.182 642 3HZ LYS 83 HZ3 LYS 83 18.837 4.460 3.101 643 H GLU 84 HN GLU 84 16.648 1.671 9.301 644 HA GLU 84 HA GLU 84 18.029 1.488 11.818 645 1HB GLU 84 HB2 GLU 84 15.324 1.599 10.992 646 2HB GLU 84 HB1 GLU 84 15.525 0.090 11.862 647 1HG GLU 84 HG2 GLU 84 16.855 1.953 13.420 648 2HG GLU 84 HG1 GLU 84 15.414 2.799 12.857 649 H GLN 85 HN GLN 85 16.543 -0.869 9.603 650 HA GLN 85 HA GLN 85 17.565 -3.098 11.102 651 1HB GLN 85 HB2 GLN 85 16.607 -4.467 9.296 652 2HB GLN 85 HB1 GLN 85 15.448 -3.318 9.948 653 1HG GLN 85 HG2 GLN 85 16.394 -1.857 7.927 654 2HG GLN 85 HG1 GLN 85 16.676 -3.467 7.268 655 1HE2 GLN 85 HE21 GLN 85 15.046 -2.277 5.769 656 2HE2 GLN 85 HE22 GLN 85 13.385 -2.650 6.067 657 H GLU 86 HN GLU 86 19.555 -1.226 10.077 658 HA GLU 86 HA GLU 86 20.900 -2.465 7.882 659 1HB GLU 86 HB2 GLU 86 21.575 -0.272 9.816 660 2HB GLU 86 HB1 GLU 86 22.819 -0.935 8.766 661 1HG GLU 86 HG2 GLU 86 20.442 -0.308 7.267 662 2HG GLU 86 HG1 GLU 86 21.008 1.093 8.176 663 H GLN 87 HN GLN 87 20.754 -2.987 11.258 664 HA GLN 87 HA GLN 87 23.321 -4.250 11.513 665 1HB GLN 87 HB2 GLN 87 22.457 -4.944 13.760 666 2HB GLN 87 HB1 GLN 87 22.436 -3.211 13.474 667 1HG GLN 87 HG2 GLN 87 19.946 -3.891 12.660 668 2HG GLN 87 HG1 GLN 87 20.224 -5.083 13.926 669 1HE2 GLN 87 HE21 GLN 87 18.369 -2.841 13.847 670 2HE2 GLN 87 HE22 GLN 87 18.745 -1.854 15.215 671 H GLN 88 HN GLN 88 19.954 -5.453 11.578 672 HA GLN 88 HA GLN 88 20.929 -8.175 11.236 673 1HB GLN 88 HB2 GLN 88 18.449 -6.927 12.186 674 2HB GLN 88 HB1 GLN 88 18.186 -8.336 11.168 675 1HG GLN 88 HG2 GLN 88 19.442 -9.727 12.622 676 2HG GLN 88 HG1 GLN 88 20.027 -8.343 13.542 677 1HE2 GLN 88 HE21 GLN 88 18.881 -7.649 15.234 678 2HE2 GLN 88 HE22 GLN 88 17.333 -8.257 15.701 679 H THR 89 HN THR 89 21.515 -8.620 9.212 680 HA THR 89 HA THR 89 19.923 -7.606 6.982 681 HB THR 89 HB THR 89 21.784 -8.360 5.576 682 HG1 THR 89 HG1 THR 89 23.699 -9.095 6.851 683 1HG2 THR 89 HG21 THR 89 23.688 -7.099 6.873 684 2HG2 THR 89 HG22 THR 89 22.345 -6.613 7.908 685 3HG2 THR 89 HG23 THR 89 22.315 -6.232 6.187 686 H GLU 90 HN GLU 90 18.096 -8.957 7.216 687 HA GLU 90 HA GLU 90 18.325 -11.808 7.224 688 1HB GLU 90 HB2 GLU 90 16.250 -9.888 7.563 689 2HB GLU 90 HB1 GLU 90 15.757 -10.982 6.279 690 1HG GLU 90 HG2 GLU 90 16.797 -12.618 8.288 691 2HG GLU 90 HG1 GLU 90 15.828 -11.402 9.119 692 H GLN 91 HN GLN 91 17.504 -9.379 4.773 693 HA GLN 91 HA GLN 91 17.584 -11.446 2.700 694 1HB GLN 91 HB2 GLN 91 16.635 -8.582 2.697 695 2HB GLN 91 HB1 GLN 91 16.791 -9.530 1.224 696 1HG GLN 91 HG2 GLN 91 15.324 -11.182 2.845 697 2HG GLN 91 HG1 GLN 91 14.728 -9.580 3.277 698 1HE2 GLN 91 HE21 GLN 91 13.280 -11.651 1.942 699 2HE2 GLN 91 HE22 GLN 91 12.833 -11.044 0.388 700 H ALA 92 HN ALA 92 19.111 -11.511 1.118 701 HA ALA 92 HA ALA 92 21.596 -10.208 1.607 702 1HB ALA 92 HB1 ALA 92 22.412 -11.832 0.325 703 2HB ALA 92 HB2 ALA 92 21.390 -11.368 -1.035 704 3HB ALA 92 HB3 ALA 92 20.767 -12.456 0.204 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -24.020 8.551 12.321 2 2H GLY 1 HT2 GLY 1 -23.641 8.611 10.673 3 3H GLY 1 HT3 GLY 1 -23.212 9.896 11.686 4 1HA GLY 1 HA1 GLY 1 -21.468 8.088 10.973 5 2HA GLY 1 HA2 GLY 1 -21.425 8.844 12.558 6 HA PRO 2 HA PRO 2 -21.629 5.017 14.706 7 1HB PRO 2 HB2 PRO 2 -24.115 5.968 16.044 8 2HB PRO 2 HB1 PRO 2 -22.622 5.345 16.753 9 1HG PRO 2 HG2 PRO 2 -23.171 7.955 16.795 10 2HG PRO 2 HG1 PRO 2 -21.517 7.369 16.538 11 1HD PRO 2 HD2 PRO 2 -23.454 8.503 14.577 12 2HD PRO 2 HD1 PRO 2 -21.686 8.648 14.633 13 H LEU 3 HN LEU 3 -25.061 5.947 14.335 14 HA LEU 3 HA LEU 3 -25.640 3.243 13.385 15 1HB LEU 3 HB2 LEU 3 -26.955 4.407 15.240 16 2HB LEU 3 HB1 LEU 3 -27.646 5.407 13.978 17 HG LEU 3 HG LEU 3 -27.824 2.484 13.558 18 1HD1 LEU 3 HD11 LEU 3 -28.476 2.221 15.729 19 2HD1 LEU 3 HD12 LEU 3 -30.016 2.693 15.010 20 3HD1 LEU 3 HD13 LEU 3 -29.045 3.884 15.877 21 1HD2 LEU 3 HD21 LEU 3 -29.204 3.263 12.003 22 2HD2 LEU 3 HD22 LEU 3 -29.078 4.899 12.650 23 3HD2 LEU 3 HD23 LEU 3 -30.293 3.791 13.285 24 H GLY 4 HN GLY 4 -27.268 3.034 11.596 25 1HA GLY 4 HA2 GLY 4 -26.549 4.927 9.458 26 2HA GLY 4 HA1 GLY 4 -27.055 3.263 9.211 27 H SER 5 HN SER 5 -28.005 6.442 9.065 28 HA SER 5 HA SER 5 -30.821 5.957 9.590 29 1HB SER 5 HB2 SER 5 -29.097 8.290 9.414 30 2HB SER 5 HB1 SER 5 -30.588 8.509 8.497 31 HG SER 5 HG SER 5 -31.361 8.981 10.403 32 HA PRO 6 HA PRO 6 -31.070 6.995 4.882 33 1HB PRO 6 HB2 PRO 6 -28.772 6.886 3.432 34 2HB PRO 6 HB1 PRO 6 -29.376 8.368 4.181 35 1HG PRO 6 HG2 PRO 6 -27.249 6.495 5.127 36 2HG PRO 6 HG1 PRO 6 -27.276 8.267 5.158 37 1HD PRO 6 HD2 PRO 6 -27.804 6.748 7.337 38 2HD PRO 6 HD1 PRO 6 -28.546 8.337 7.078 39 H ARG 7 HN ARG 7 -31.971 5.293 3.949 40 HA ARG 7 HA ARG 7 -30.802 2.661 4.201 41 1HB ARG 7 HB2 ARG 7 -33.368 3.590 2.899 42 2HB ARG 7 HB1 ARG 7 -32.893 1.908 3.091 43 1HG ARG 7 HG2 ARG 7 -34.075 1.990 4.978 44 2HG ARG 7 HG1 ARG 7 -32.680 2.840 5.643 45 1HD ARG 7 HD2 ARG 7 -34.176 4.436 6.149 46 2HD ARG 7 HD1 ARG 7 -34.015 4.878 4.450 47 HE ARG 7 HE ARG 7 -36.023 2.881 4.949 48 1HH1 ARG 7 HH11 ARG 7 -35.362 6.304 4.828 49 2HH1 ARG 7 HH12 ARG 7 -37.008 6.739 4.514 50 1HH2 ARG 7 HH21 ARG 7 -38.188 3.447 4.536 51 2HH2 ARG 7 HH22 ARG 7 -38.614 5.116 4.347 52 H ASN 8 HN ASN 8 -29.785 1.520 2.659 53 HA ASN 8 HA ASN 8 -29.217 2.864 0.136 54 1HB ASN 8 HB2 ASN 8 -27.907 0.783 1.775 55 2HB ASN 8 HB1 ASN 8 -27.759 0.575 0.032 56 1HD2 ASN 8 HD21 ASN 8 -25.556 1.020 1.578 57 2HD2 ASN 8 HD22 ASN 8 -24.915 2.590 1.245 58 H ALA 9 HN ALA 9 -30.590 2.517 -1.481 59 HA ALA 9 HA ALA 9 -32.393 0.364 -1.643 60 1HB ALA 9 HB1 ALA 9 -32.740 1.135 -3.992 61 2HB ALA 9 HB2 ALA 9 -31.425 2.285 -3.754 62 3HB ALA 9 HB3 ALA 9 -32.891 2.409 -2.781 63 H ASN 10 HN ASN 10 -29.437 1.010 -3.529 64 HA ASN 10 HA ASN 10 -29.404 -1.820 -4.315 65 1HB ASN 10 HB2 ASN 10 -27.843 0.487 -5.496 66 2HB ASN 10 HB1 ASN 10 -27.923 -1.155 -6.128 67 1HD2 ASN 10 HD21 ASN 10 -29.179 1.910 -6.338 68 2HD2 ASN 10 HD22 ASN 10 -30.624 1.553 -7.215 69 H ASP 11 HN ASP 11 -28.572 -2.487 -2.250 70 HA ASP 11 HA ASP 11 -25.931 -1.566 -1.480 71 1HB ASP 11 HB2 ASP 11 -27.962 -2.327 0.042 72 2HB ASP 11 HB1 ASP 11 -27.244 -3.919 -0.191 73 H ASN 12 HN ASN 12 -24.560 -2.239 -3.107 74 HA ASN 12 HA ASN 12 -24.507 -5.039 -3.878 75 1HB ASN 12 HB2 ASN 12 -22.996 -2.598 -4.794 76 2HB ASN 12 HB1 ASN 12 -22.553 -4.218 -5.324 77 1HD2 ASN 12 HD21 ASN 12 -25.248 -1.944 -5.183 78 2HD2 ASN 12 HD22 ASN 12 -26.019 -2.492 -6.629 79 H ASN 13 HN ASN 13 -22.971 -6.501 -3.335 80 HA ASN 13 HA ASN 13 -20.620 -5.660 -1.843 81 1HB ASN 13 HB2 ASN 13 -22.738 -6.255 -0.337 82 2HB ASN 13 HB1 ASN 13 -22.165 -7.897 -0.622 83 1HD2 ASN 13 HD21 ASN 13 -20.461 -4.827 -0.117 84 2HD2 ASN 13 HD22 ASN 13 -19.537 -5.369 1.238 85 H GLN 14 HN GLN 14 -20.416 -6.518 -4.307 86 HA GLN 14 HA GLN 14 -19.975 -9.404 -4.305 87 1HB GLN 14 HB2 GLN 14 -20.264 -7.313 -6.408 88 2HB GLN 14 HB1 GLN 14 -19.316 -8.743 -6.794 89 1HG GLN 14 HG2 GLN 14 -21.121 -10.062 -6.919 90 2HG GLN 14 HG1 GLN 14 -21.903 -9.299 -5.536 91 1HE2 GLN 14 HE21 GLN 14 -23.015 -10.076 -8.121 92 2HE2 GLN 14 HE22 GLN 14 -23.682 -8.638 -8.808 93 H PHE 15 HN PHE 15 -18.151 -9.451 -2.931 94 HA PHE 15 HA PHE 15 -15.726 -8.103 -3.840 95 1HB PHE 15 HB2 PHE 15 -16.597 -8.400 -1.358 96 2HB PHE 15 HB1 PHE 15 -15.773 -9.950 -1.487 97 HD1 PHE 15 HD1 PHE 15 -15.303 -6.292 -1.655 98 HD2 PHE 15 HD2 PHE 15 -13.422 -10.099 -1.366 99 HE1 PHE 15 HE1 PHE 15 -13.168 -5.192 -1.119 100 HE2 PHE 15 HE2 PHE 15 -11.283 -9.006 -0.830 101 HZ PHE 15 HZ PHE 15 -11.155 -6.550 -0.705 102 H TYR 16 HN TYR 16 -16.587 -9.968 -5.655 103 HA TYR 16 HA TYR 16 -15.069 -12.417 -5.207 104 1HB TYR 16 HB2 TYR 16 -17.387 -12.438 -6.194 105 2HB TYR 16 HB1 TYR 16 -16.717 -11.657 -7.622 106 HD1 TYR 16 HD1 TYR 16 -15.923 -12.968 -9.368 107 HD2 TYR 16 HD2 TYR 16 -16.270 -14.687 -5.492 108 HE1 TYR 16 HE1 TYR 16 -15.337 -15.168 -10.298 109 HE2 TYR 16 HE2 TYR 16 -15.682 -16.892 -6.411 110 HH TYR 16 HH TYR 16 -15.751 -17.617 -9.638 111 H GLN 17 HN GLN 17 -15.025 -9.530 -7.199 112 HA GLN 17 HA GLN 17 -12.845 -10.463 -8.838 113 1HB GLN 17 HB2 GLN 17 -13.822 -7.622 -8.608 114 2HB GLN 17 HB1 GLN 17 -12.991 -8.374 -9.962 115 1HG GLN 17 HG2 GLN 17 -14.893 -9.588 -10.598 116 2HG GLN 17 HG1 GLN 17 -15.701 -9.283 -9.060 117 1HE2 GLN 17 HE21 GLN 17 -14.015 -7.078 -11.257 118 2HE2 GLN 17 HE22 GLN 17 -15.370 -6.044 -11.540 119 H GLN 18 HN GLN 18 -11.483 -10.955 -6.917 120 HA GLN 18 HA GLN 18 -10.388 -8.758 -5.426 121 1HB GLN 18 HB2 GLN 18 -10.633 -11.192 -4.652 122 2HB GLN 18 HB1 GLN 18 -9.196 -11.515 -5.612 123 1HG GLN 18 HG2 GLN 18 -7.842 -10.635 -4.082 124 2HG GLN 18 HG1 GLN 18 -8.880 -9.231 -3.843 125 1HE2 GLN 18 HE21 GLN 18 -11.172 -10.269 -2.919 126 2HE2 GLN 18 HE22 GLN 18 -10.920 -11.088 -1.419 127 H LYS 19 HN LYS 19 -9.785 -10.097 -8.489 128 HA LYS 19 HA LYS 19 -6.980 -9.527 -8.608 129 1HB LYS 19 HB2 LYS 19 -8.733 -11.025 -10.132 130 2HB LYS 19 HB1 LYS 19 -8.362 -9.661 -11.177 131 1HG LYS 19 HG2 LYS 19 -5.896 -10.421 -10.180 132 2HG LYS 19 HG1 LYS 19 -6.736 -11.947 -10.461 133 1HD LYS 19 HD2 LYS 19 -6.501 -9.737 -12.502 134 2HD LYS 19 HD1 LYS 19 -5.419 -11.128 -12.416 135 1HE LYS 19 HE2 LYS 19 -8.339 -11.651 -12.498 136 2HE LYS 19 HE1 LYS 19 -7.565 -11.094 -13.981 137 1HZ LYS 19 HZ1 LYS 19 -7.020 -13.557 -12.439 138 2HZ LYS 19 HZ2 LYS 19 -5.899 -12.945 -13.548 139 3HZ LYS 19 HZ3 LYS 19 -7.440 -13.404 -14.071 140 H GLN 20 HN GLN 20 -9.870 -7.717 -9.078 141 HA GLN 20 HA GLN 20 -8.582 -5.670 -10.665 142 1HB GLN 20 HB2 GLN 20 -10.722 -4.501 -10.566 143 2HB GLN 20 HB1 GLN 20 -10.937 -6.168 -11.067 144 1HG GLN 20 HG2 GLN 20 -12.325 -6.570 -9.395 145 2HG GLN 20 HG1 GLN 20 -11.212 -5.903 -8.210 146 1HE2 GLN 20 HE21 GLN 20 -12.893 -4.937 -7.058 147 2HE2 GLN 20 HE22 GLN 20 -13.711 -3.530 -7.641 148 H ARG 21 HN ARG 21 -9.731 -6.083 -7.372 149 HA ARG 21 HA ARG 21 -9.210 -3.489 -6.422 150 1HB ARG 21 HB2 ARG 21 -9.071 -6.077 -4.876 151 2HB ARG 21 HB1 ARG 21 -9.334 -4.472 -4.213 152 1HG ARG 21 HG2 ARG 21 -11.424 -4.436 -5.737 153 2HG ARG 21 HG1 ARG 21 -11.205 -6.186 -5.796 154 1HD ARG 21 HD2 ARG 21 -11.369 -6.325 -3.389 155 2HD ARG 21 HD1 ARG 21 -11.457 -4.569 -3.262 156 HE ARG 21 HE ARG 21 -13.583 -6.378 -4.042 157 1HH1 ARG 21 HH11 ARG 21 -12.463 -3.082 -4.029 158 2HH1 ARG 21 HH12 ARG 21 -14.051 -2.401 -4.067 159 1HH2 ARG 21 HH21 ARG 21 -15.684 -5.488 -4.112 160 2HH2 ARG 21 HH22 ARG 21 -15.881 -3.767 -4.119 161 H GLN 22 HN GLN 22 -7.284 -6.465 -6.115 162 HA GLN 22 HA GLN 22 -5.012 -5.167 -5.020 163 1HB GLN 22 HB2 GLN 22 -5.783 -7.723 -5.120 164 2HB GLN 22 HB1 GLN 22 -4.688 -7.726 -6.495 165 1HG GLN 22 HG2 GLN 22 -3.038 -8.066 -5.063 166 2HG GLN 22 HG1 GLN 22 -3.284 -6.417 -4.492 167 1HE2 GLN 22 HE21 GLN 22 -3.564 -6.226 -2.398 168 2HE2 GLN 22 HE22 GLN 22 -4.212 -7.426 -1.338 169 H ALA 23 HN ALA 23 -6.238 -5.346 -8.184 170 HA ALA 23 HA ALA 23 -3.868 -5.374 -9.706 171 1HB ALA 23 HB1 ALA 23 -6.658 -4.990 -10.191 172 2HB ALA 23 HB2 ALA 23 -5.390 -5.465 -11.320 173 3HB ALA 23 HB3 ALA 23 -5.742 -3.756 -11.057 174 H LEU 24 HN LEU 24 -5.932 -2.503 -9.320 175 HA LEU 24 HA LEU 24 -3.848 -0.693 -9.885 176 1HB LEU 24 HB2 LEU 24 -6.624 -0.528 -8.880 177 2HB LEU 24 HB1 LEU 24 -5.606 0.860 -8.569 178 HG LEU 24 HG LEU 24 -6.920 1.163 -10.602 179 1HD1 LEU 24 HD11 LEU 24 -5.228 1.955 -12.002 180 2HD1 LEU 24 HD12 LEU 24 -4.096 0.698 -11.503 181 3HD1 LEU 24 HD13 LEU 24 -4.512 2.002 -10.398 182 1HD2 LEU 24 HD21 LEU 24 -5.754 -1.490 -11.259 183 2HD2 LEU 24 HD22 LEU 24 -6.093 -0.362 -12.571 184 3HD2 LEU 24 HD23 LEU 24 -7.393 -0.881 -11.497 185 H GLY 25 HN GLY 25 -5.070 -2.100 -6.916 186 1HA GLY 25 HA2 GLY 25 -3.816 -0.410 -5.054 187 2HA GLY 25 HA1 GLY 25 -4.261 -2.085 -4.768 188 H GLU 26 HN GLU 26 -2.660 -3.305 -6.728 189 HA GLU 26 HA GLU 26 -0.235 -3.600 -5.361 190 1HB GLU 26 HB2 GLU 26 -1.446 -4.668 -7.749 191 2HB GLU 26 HB1 GLU 26 0.242 -4.299 -8.054 192 1HG GLU 26 HG2 GLU 26 -0.288 -5.704 -5.533 193 2HG GLU 26 HG1 GLU 26 -0.653 -6.615 -6.997 194 H GLN 27 HN GLN 27 -1.278 -1.369 -7.822 195 HA GLN 27 HA GLN 27 1.218 -0.501 -8.738 196 1HB GLN 27 HB2 GLN 27 -1.246 1.202 -8.440 197 2HB GLN 27 HB1 GLN 27 0.091 1.466 -9.548 198 1HG GLN 27 HG2 GLN 27 -1.289 -1.124 -9.792 199 2HG GLN 27 HG1 GLN 27 -2.223 0.302 -10.245 200 1HE2 GLN 27 HE21 GLN 27 -1.627 -1.573 -12.115 201 2HE2 GLN 27 HE22 GLN 27 -0.470 -0.950 -13.236 202 H LEU 28 HN LEU 28 -0.649 0.242 -5.905 203 HA LEU 28 HA LEU 28 0.629 2.538 -4.975 204 1HB LEU 28 HB2 LEU 28 -1.403 1.086 -4.073 205 2HB LEU 28 HB1 LEU 28 -0.157 0.381 -3.064 206 HG LEU 28 HG LEU 28 0.358 2.620 -2.159 207 1HD1 LEU 28 HD11 LEU 28 -2.144 3.681 -3.366 208 2HD1 LEU 28 HD12 LEU 28 -0.655 3.703 -4.312 209 3HD1 LEU 28 HD13 LEU 28 -0.724 4.531 -2.762 210 1HD2 LEU 28 HD21 LEU 28 -1.992 1.056 -1.716 211 2HD2 LEU 28 HD22 LEU 28 -2.372 2.758 -1.455 212 3HD2 LEU 28 HD23 LEU 28 -1.053 2.000 -0.563 213 H TYR 29 HN TYR 29 1.383 -0.868 -4.429 214 HA TYR 29 HA TYR 29 3.639 -0.399 -2.782 215 1HB TYR 29 HB2 TYR 29 2.475 -2.488 -2.624 216 2HB TYR 29 HB1 TYR 29 2.748 -2.832 -4.328 217 HD1 TYR 29 HD1 TYR 29 4.227 -4.560 -4.641 218 HD2 TYR 29 HD2 TYR 29 4.935 -1.823 -1.467 219 HE1 TYR 29 HE1 TYR 29 6.302 -5.753 -4.079 220 HE2 TYR 29 HE2 TYR 29 7.006 -3.010 -0.892 221 HH TYR 29 HH TYR 29 8.677 -4.503 -2.201 222 H LYS 30 HN LYS 30 3.417 -1.358 -6.227 223 HA LYS 30 HA LYS 30 6.165 -1.470 -6.712 224 1HB LYS 30 HB2 LYS 30 5.615 -1.198 -9.079 225 2HB LYS 30 HB1 LYS 30 4.510 -2.324 -8.300 226 1HG LYS 30 HG2 LYS 30 2.866 -0.482 -8.098 227 2HG LYS 30 HG1 LYS 30 3.962 0.545 -9.022 228 1HD LYS 30 HD2 LYS 30 2.906 -2.091 -10.039 229 2HD LYS 30 HD1 LYS 30 2.121 -0.542 -10.357 230 1HE LYS 30 HE2 LYS 30 5.010 -1.033 -11.012 231 2HE LYS 30 HE1 LYS 30 3.712 -1.432 -12.137 232 1HZ LYS 30 HZ1 LYS 30 4.931 1.006 -11.844 233 2HZ LYS 30 HZ2 LYS 30 3.425 1.206 -11.101 234 3HZ LYS 30 HZ3 LYS 30 3.511 0.688 -12.710 235 H LYS 31 HN LYS 31 3.974 1.252 -6.632 236 HA LYS 31 HA LYS 31 5.598 3.165 -7.881 237 1HB LYS 31 HB2 LYS 31 3.105 3.245 -7.062 238 2HB LYS 31 HB1 LYS 31 3.814 3.911 -5.600 239 1HG LYS 31 HG2 LYS 31 4.093 5.906 -6.536 240 2HG LYS 31 HG1 LYS 31 4.844 5.210 -7.973 241 1HD LYS 31 HD2 LYS 31 1.987 4.692 -7.862 242 2HD LYS 31 HD1 LYS 31 2.351 6.418 -7.834 243 1HE LYS 31 HE2 LYS 31 3.460 6.332 -9.893 244 2HE LYS 31 HE1 LYS 31 3.641 4.579 -9.823 245 1HZ LYS 31 HZ1 LYS 31 0.911 5.159 -9.738 246 2HZ LYS 31 HZ2 LYS 31 1.776 4.396 -10.974 247 3HZ LYS 31 HZ3 LYS 31 1.576 6.075 -10.996 248 H VAL 32 HN VAL 32 5.584 1.897 -4.630 249 HA VAL 32 HA VAL 32 7.426 3.892 -3.618 250 HB VAL 32 HB VAL 32 6.719 1.254 -2.335 251 1HG1 VAL 32 HG11 VAL 32 7.917 3.822 -1.340 252 2HG1 VAL 32 HG12 VAL 32 8.601 2.198 -1.277 253 3HG1 VAL 32 HG13 VAL 32 7.223 2.615 -0.260 254 1HG2 VAL 32 HG21 VAL 32 5.264 3.881 -2.317 255 2HG2 VAL 32 HG22 VAL 32 5.096 2.711 -1.008 256 3HG2 VAL 32 HG23 VAL 32 4.630 2.270 -2.651 257 H SER 33 HN SER 33 7.576 0.417 -4.399 258 HA SER 33 HA SER 33 10.401 0.251 -3.986 259 1HB SER 33 HB2 SER 33 10.130 -2.026 -4.992 260 2HB SER 33 HB1 SER 33 9.045 -1.717 -3.636 261 HG SER 33 HG SER 33 7.370 -1.745 -4.947 262 H ALA 34 HN ALA 34 8.901 1.945 -6.258 263 HA ALA 34 HA ALA 34 9.851 1.068 -8.727 264 1HB ALA 34 HB1 ALA 34 9.833 3.887 -8.777 265 2HB ALA 34 HB2 ALA 34 8.541 3.385 -7.688 266 3HB ALA 34 HB3 ALA 34 8.582 2.781 -9.344 267 H LYS 35 HN LYS 35 11.548 2.458 -6.081 268 HA LYS 35 HA LYS 35 13.842 3.088 -7.807 269 1HB LYS 35 HB2 LYS 35 13.340 3.866 -4.930 270 2HB LYS 35 HB1 LYS 35 14.719 4.361 -5.903 271 1HG LYS 35 HG2 LYS 35 13.479 5.821 -7.168 272 2HG LYS 35 HG1 LYS 35 11.966 4.963 -6.869 273 1HD LYS 35 HD2 LYS 35 11.836 5.811 -4.644 274 2HD LYS 35 HD1 LYS 35 13.473 6.468 -4.738 275 1HE LYS 35 HE2 LYS 35 11.480 7.379 -6.745 276 2HE LYS 35 HE1 LYS 35 11.327 7.984 -5.097 277 1HZ LYS 35 HZ1 LYS 35 12.842 9.486 -5.660 278 2HZ LYS 35 HZ2 LYS 35 13.201 8.708 -7.117 279 3HZ LYS 35 HZ3 LYS 35 13.988 8.242 -5.695 280 H THR 36 HN THR 36 12.686 0.630 -5.869 281 HA THR 36 HA THR 36 15.074 -0.858 -6.014 282 HB THR 36 HB THR 36 15.766 0.676 -4.209 283 HG1 THR 36 HG1 THR 36 16.802 -1.045 -3.651 284 1HG2 THR 36 HG21 THR 36 13.153 0.266 -3.220 285 2HG2 THR 36 HG22 THR 36 14.433 1.285 -2.561 286 3HG2 THR 36 HG23 THR 36 14.285 -0.393 -2.039 287 H SER 37 HN SER 37 14.760 -3.022 -5.485 288 HA SER 37 HA SER 37 11.983 -3.807 -5.215 289 1HB SER 37 HB2 SER 37 14.337 -4.932 -6.384 290 2HB SER 37 HB1 SER 37 13.694 -6.083 -5.213 291 HG SER 37 HG SER 37 11.632 -5.786 -6.282 292 H ASN 38 HN ASN 38 13.063 -2.567 -2.924 293 HA ASN 38 HA ASN 38 13.717 -4.585 -0.978 294 1HB ASN 38 HB2 ASN 38 13.252 -1.621 -0.870 295 2HB ASN 38 HB1 ASN 38 13.368 -2.566 0.611 296 1HD2 ASN 38 HD21 ASN 38 15.129 -0.557 0.097 297 2HD2 ASN 38 HD22 ASN 38 16.696 -1.214 -0.208 298 H GLU 39 HN GLU 39 12.063 -6.010 -0.620 299 HA GLU 39 HA GLU 39 9.335 -5.342 -0.642 300 1HB GLU 39 HB2 GLU 39 10.529 -7.672 -0.739 301 2HB GLU 39 HB1 GLU 39 10.337 -7.622 1.008 302 1HG GLU 39 HG2 GLU 39 8.243 -8.296 0.823 303 2HG GLU 39 HG1 GLU 39 7.859 -6.900 -0.179 304 H GLU 40 HN GLU 40 11.735 -5.078 1.837 305 HA GLU 40 HA GLU 40 9.792 -4.765 3.960 306 1HB GLU 40 HB2 GLU 40 12.721 -4.971 3.755 307 2HB GLU 40 HB1 GLU 40 12.151 -3.889 5.019 308 1HG GLU 40 HG2 GLU 40 11.012 -5.602 6.131 309 2HG GLU 40 HG1 GLU 40 11.079 -6.672 4.732 310 H ALA 41 HN ALA 41 11.486 -2.789 1.706 311 HA ALA 41 HA ALA 41 11.240 -0.312 3.123 312 1HB ALA 41 HB1 ALA 41 12.970 -0.377 1.545 313 2HB ALA 41 HB2 ALA 41 11.728 0.622 0.794 314 3HB ALA 41 HB3 ALA 41 11.920 -1.053 0.303 315 H ALA 42 HN ALA 42 9.883 -1.158 -0.024 316 HA ALA 42 HA ALA 42 7.839 0.729 0.019 317 1HB ALA 42 HB1 ALA 42 8.326 -1.745 -1.589 318 2HB ALA 42 HB2 ALA 42 8.412 -0.054 -2.085 319 3HB ALA 42 HB3 ALA 42 6.844 -0.810 -1.794 320 H GLY 43 HN GLY 43 7.982 -2.528 1.285 321 1HA GLY 43 HA2 GLY 43 5.191 -2.911 1.616 322 2HA GLY 43 HA1 GLY 43 6.461 -3.750 2.501 323 H LYS 44 HN LYS 44 7.605 -1.143 3.365 324 HA LYS 44 HA LYS 44 6.175 -0.904 5.826 325 1HB LYS 44 HB2 LYS 44 8.721 -0.319 4.996 326 2HB LYS 44 HB1 LYS 44 8.008 1.284 5.105 327 1HG LYS 44 HG2 LYS 44 8.087 -0.757 7.316 328 2HG LYS 44 HG1 LYS 44 9.136 0.653 7.163 329 1HD LYS 44 HD2 LYS 44 7.602 1.650 8.471 330 2HD LYS 44 HD1 LYS 44 6.689 1.806 6.970 331 1HE LYS 44 HE2 LYS 44 6.014 -0.711 7.776 332 2HE LYS 44 HE1 LYS 44 6.192 0.125 9.319 333 1HZ LYS 44 HZ1 LYS 44 4.363 1.335 8.961 334 2HZ LYS 44 HZ2 LYS 44 3.970 0.157 7.813 335 3HZ LYS 44 HZ3 LYS 44 4.711 1.598 7.326 336 H ILE 45 HN ILE 45 6.731 1.299 3.115 337 HA ILE 45 HA ILE 45 4.965 3.315 4.007 338 HB ILE 45 HB ILE 45 5.996 2.736 1.232 339 1HG1 ILE 45 HG12 ILE 45 6.993 4.800 3.202 340 2HG1 ILE 45 HG11 ILE 45 7.694 3.186 3.066 341 1HG2 ILE 45 HG21 ILE 45 4.546 4.283 0.567 342 2HG2 ILE 45 HG22 ILE 45 5.547 5.445 1.434 343 3HG2 ILE 45 HG23 ILE 45 4.142 4.732 2.225 344 1HD1 ILE 45 HD11 ILE 45 8.715 3.659 1.119 345 2HD1 ILE 45 HD12 ILE 45 8.614 5.302 1.752 346 3HD1 ILE 45 HD13 ILE 45 7.428 4.734 0.578 347 H THR 46 HN THR 46 4.594 0.556 1.824 348 HA THR 46 HA THR 46 2.103 1.131 0.735 349 HB THR 46 HB THR 46 3.243 -1.564 1.505 350 HG1 THR 46 HG1 THR 46 3.263 -0.128 -0.936 351 1HG2 THR 46 HG21 THR 46 1.308 -2.444 0.879 352 2HG2 THR 46 HG22 THR 46 1.687 -1.891 -0.752 353 3HG2 THR 46 HG23 THR 46 0.699 -0.889 0.311 354 H GLY 47 HN GLY 47 2.905 -0.434 3.812 355 1HA GLY 47 HA2 GLY 47 0.275 -1.088 4.563 356 2HA GLY 47 HA1 GLY 47 1.623 -0.852 5.668 357 H MET 48 HN MET 48 2.057 1.905 4.677 358 HA MET 48 HA MET 48 0.272 3.225 6.485 359 1HB MET 48 HB2 MET 48 2.060 4.632 4.515 360 2HB MET 48 HB1 MET 48 1.546 5.172 6.107 361 1HG MET 48 HG2 MET 48 2.993 2.706 6.326 362 2HG MET 48 HG1 MET 48 3.929 3.885 5.417 363 1HE MET 48 HE1 MET 48 5.537 4.815 6.311 364 2HE MET 48 HE2 MET 48 5.925 4.133 7.892 365 3HE MET 48 HE3 MET 48 5.598 5.859 7.732 366 H ILE 49 HN ILE 49 0.844 3.493 2.970 367 HA ILE 49 HA ILE 49 -1.473 5.083 2.507 368 HB ILE 49 HB ILE 49 -0.150 3.346 0.436 369 1HG1 ILE 49 HG12 ILE 49 0.848 6.057 0.462 370 2HG1 ILE 49 HG11 ILE 49 1.188 5.260 1.995 371 1HG2 ILE 49 HG21 ILE 49 -2.139 4.386 -0.337 372 2HG2 ILE 49 HG22 ILE 49 -0.781 5.277 -1.023 373 3HG2 ILE 49 HG23 ILE 49 -1.665 5.939 0.349 374 1HD1 ILE 49 HD11 ILE 49 2.673 3.851 1.074 375 2HD1 ILE 49 HD12 ILE 49 2.772 5.103 -0.162 376 3HD1 ILE 49 HD13 ILE 49 1.757 3.684 -0.420 377 H LEU 50 HN LEU 50 -1.166 1.912 3.409 378 HA LEU 50 HA LEU 50 -3.125 0.645 1.780 379 1HB LEU 50 HB2 LEU 50 -1.282 -0.144 3.709 380 2HB LEU 50 HB1 LEU 50 -2.834 -0.491 4.440 381 HG LEU 50 HG LEU 50 -2.084 -2.468 3.338 382 1HD1 LEU 50 HD11 LEU 50 -4.039 -1.423 1.346 383 2HD1 LEU 50 HD12 LEU 50 -4.516 -1.575 3.036 384 3HD1 LEU 50 HD13 LEU 50 -3.972 -2.994 2.143 385 1HD2 LEU 50 HD21 LEU 50 -1.212 -0.584 1.284 386 2HD2 LEU 50 HD22 LEU 50 -1.989 -2.028 0.639 387 3HD2 LEU 50 HD23 LEU 50 -0.592 -2.181 1.702 388 H ASP 51 HN ASP 51 -3.693 3.211 3.545 389 HA ASP 51 HA ASP 51 -5.946 2.310 5.112 390 1HB ASP 51 HB2 ASP 51 -4.499 4.888 4.732 391 2HB ASP 51 HB1 ASP 51 -6.172 4.959 5.277 392 H LEU 52 HN LEU 52 -5.356 3.526 1.927 393 HA LEU 52 HA LEU 52 -8.015 4.526 1.503 394 1HB LEU 52 HB2 LEU 52 -5.620 4.044 -0.214 395 2HB LEU 52 HB1 LEU 52 -7.179 4.324 -0.968 396 HG LEU 52 HG LEU 52 -7.342 6.494 0.178 397 1HD1 LEU 52 HD11 LEU 52 -5.006 5.444 1.583 398 2HD1 LEU 52 HD12 LEU 52 -6.160 6.685 2.069 399 3HD1 LEU 52 HD13 LEU 52 -4.809 7.101 1.013 400 1HD2 LEU 52 HD21 LEU 52 -6.302 6.237 -2.072 401 2HD2 LEU 52 HD22 LEU 52 -4.728 6.211 -1.280 402 3HD2 LEU 52 HD23 LEU 52 -5.746 7.648 -1.173 403 HA PRO 53 HA PRO 53 -10.029 0.578 1.001 404 1HB PRO 53 HB2 PRO 53 -11.697 2.079 -0.934 405 2HB PRO 53 HB1 PRO 53 -12.182 1.102 0.451 406 1HG PRO 53 HG2 PRO 53 -12.208 3.826 0.454 407 2HG PRO 53 HG1 PRO 53 -12.009 2.841 1.910 408 1HD PRO 53 HD2 PRO 53 -10.047 4.507 0.503 409 2HD PRO 53 HD1 PRO 53 -10.008 3.872 2.156 410 HA PRO 54 HA PRO 54 -8.551 -1.412 -2.623 411 1HB PRO 54 HB2 PRO 54 -11.370 -1.943 -3.413 412 2HB PRO 54 HB1 PRO 54 -10.015 -3.062 -3.270 413 1HG PRO 54 HG2 PRO 54 -11.913 -2.980 -1.406 414 2HG PRO 54 HG1 PRO 54 -10.211 -3.216 -0.967 415 1HD PRO 54 HD2 PRO 54 -11.923 -0.799 -0.686 416 2HD PRO 54 HD1 PRO 54 -10.585 -1.366 0.334 417 H GLN 55 HN GLN 55 -11.669 -0.059 -3.685 418 HA GLN 55 HA GLN 55 -10.546 0.750 -6.201 419 1HB GLN 55 HB2 GLN 55 -12.771 1.608 -6.713 420 2HB GLN 55 HB1 GLN 55 -12.860 -0.024 -6.066 421 1HG GLN 55 HG2 GLN 55 -13.095 1.582 -3.833 422 2HG GLN 55 HG1 GLN 55 -14.016 2.436 -5.071 423 1HE2 GLN 55 HE21 GLN 55 -15.935 1.994 -3.944 424 2HE2 GLN 55 HE22 GLN 55 -16.667 0.430 -3.986 425 H GLU 56 HN GLU 56 -11.345 2.311 -3.180 426 HA GLU 56 HA GLU 56 -11.201 4.986 -4.074 427 1HB GLU 56 HB2 GLU 56 -11.802 3.709 -1.685 428 2HB GLU 56 HB1 GLU 56 -10.352 4.627 -1.319 429 1HG GLU 56 HG2 GLU 56 -12.860 5.762 -2.529 430 2HG GLU 56 HG1 GLU 56 -12.414 5.858 -0.826 431 H VAL 57 HN VAL 57 -8.744 2.656 -3.385 432 HA VAL 57 HA VAL 57 -6.692 4.649 -2.966 433 HB VAL 57 HB VAL 57 -6.516 2.481 -1.823 434 1HG1 VAL 57 HG11 VAL 57 -6.493 1.435 -4.610 435 2HG1 VAL 57 HG12 VAL 57 -7.334 0.830 -3.186 436 3HG1 VAL 57 HG13 VAL 57 -5.599 0.583 -3.354 437 1HG2 VAL 57 HG21 VAL 57 -4.365 3.355 -3.705 438 2HG2 VAL 57 HG22 VAL 57 -4.119 1.958 -2.659 439 3HG2 VAL 57 HG23 VAL 57 -4.461 3.538 -1.955 440 H PHE 58 HN PHE 58 -7.971 2.756 -5.586 441 HA PHE 58 HA PHE 58 -6.006 2.688 -7.460 442 1HB PHE 58 HB2 PHE 58 -8.912 3.384 -7.892 443 2HB PHE 58 HB1 PHE 58 -7.792 3.090 -9.209 444 HD1 PHE 58 HD1 PHE 58 -9.574 1.401 -9.824 445 HD2 PHE 58 HD2 PHE 58 -7.128 1.041 -6.367 446 HE1 PHE 58 HE1 PHE 58 -10.112 -0.993 -9.702 447 HE2 PHE 58 HE2 PHE 58 -7.665 -1.360 -6.235 448 HZ PHE 58 HZ PHE 58 -9.162 -2.372 -7.907 449 HA PRO 59 HA PRO 59 -7.031 7.293 -8.855 450 1HB PRO 59 HB2 PRO 59 -7.957 8.387 -6.261 451 2HB PRO 59 HB1 PRO 59 -8.553 8.696 -7.895 452 1HG PRO 59 HG2 PRO 59 -9.938 7.184 -6.185 453 2HG PRO 59 HG1 PRO 59 -9.878 6.803 -7.915 454 1HD PRO 59 HD2 PRO 59 -8.423 5.522 -5.642 455 2HD PRO 59 HD1 PRO 59 -9.142 4.783 -7.080 456 H LEU 60 HN LEU 60 -5.975 6.687 -5.510 457 HA LEU 60 HA LEU 60 -4.064 8.835 -5.574 458 1HB LEU 60 HB2 LEU 60 -4.838 8.378 -3.430 459 2HB LEU 60 HB1 LEU 60 -4.702 6.641 -3.641 460 HG LEU 60 HG LEU 60 -2.097 7.812 -3.871 461 1HD1 LEU 60 HD11 LEU 60 -3.709 8.681 -1.507 462 2HD1 LEU 60 HD12 LEU 60 -2.728 9.658 -2.600 463 3HD1 LEU 60 HD13 LEU 60 -1.951 8.550 -1.471 464 1HD2 LEU 60 HD21 LEU 60 -3.193 5.506 -2.956 465 2HD2 LEU 60 HD22 LEU 60 -2.763 6.317 -1.452 466 3HD2 LEU 60 HD23 LEU 60 -1.531 6.020 -2.674 467 H LEU 61 HN LEU 61 -3.861 5.291 -5.682 468 HA LEU 61 HA LEU 61 -1.072 5.137 -5.878 469 1HB LEU 61 HB2 LEU 61 -1.537 2.859 -6.901 470 2HB LEU 61 HB1 LEU 61 -2.180 3.153 -5.300 471 HG LEU 61 HG LEU 61 -4.332 3.846 -6.695 472 1HD1 LEU 61 HD11 LEU 61 -4.495 2.054 -8.516 473 2HD1 LEU 61 HD12 LEU 61 -2.737 2.111 -8.515 474 3HD1 LEU 61 HD13 LEU 61 -3.664 3.562 -8.882 475 1HD2 LEU 61 HD21 LEU 61 -4.776 1.207 -6.625 476 2HD2 LEU 61 HD22 LEU 61 -4.789 2.225 -5.189 477 3HD2 LEU 61 HD23 LEU 61 -3.349 1.298 -5.595 478 H GLU 62 HN GLU 62 -3.316 6.231 -8.196 479 HA GLU 62 HA GLU 62 -1.504 5.600 -10.414 480 1HB GLU 62 HB2 GLU 62 -3.358 6.159 -11.888 481 2HB GLU 62 HB1 GLU 62 -3.874 4.974 -10.694 482 1HG GLU 62 HG2 GLU 62 -5.463 6.319 -9.926 483 2HG GLU 62 HG1 GLU 62 -4.340 7.665 -9.762 484 H SER 63 HN SER 63 -2.346 8.134 -8.323 485 HA SER 63 HA SER 63 -1.494 10.170 -10.258 486 1HB SER 63 HB2 SER 63 -3.452 10.147 -8.160 487 2HB SER 63 HB1 SER 63 -2.250 11.392 -7.824 488 HG SER 63 HG SER 63 -3.522 12.458 -9.155 489 H ASP 64 HN ASP 64 0.499 10.930 -10.182 490 HA ASP 64 HA ASP 64 2.427 10.085 -8.336 491 1HB ASP 64 HB2 ASP 64 3.810 11.970 -9.308 492 2HB ASP 64 HB1 ASP 64 3.160 10.829 -10.481 493 H GLU 65 HN GLU 65 0.746 13.212 -8.606 494 HA GLU 65 HA GLU 65 1.958 14.419 -6.380 495 1HB GLU 65 HB2 GLU 65 0.019 15.977 -6.435 496 2HB GLU 65 HB1 GLU 65 0.799 15.771 -7.997 497 1HG GLU 65 HG2 GLU 65 -1.040 13.948 -8.342 498 2HG GLU 65 HG1 GLU 65 -1.876 14.845 -7.075 499 H LEU 66 HN LEU 66 -1.179 12.742 -6.666 500 HA LEU 66 HA LEU 66 -1.950 13.002 -3.994 501 1HB LEU 66 HB2 LEU 66 -2.921 11.712 -6.294 502 2HB LEU 66 HB1 LEU 66 -2.775 10.456 -5.082 503 HG LEU 66 HG LEU 66 -5.020 11.542 -5.213 504 1HD1 LEU 66 HD11 LEU 66 -3.485 11.711 -2.629 505 2HD1 LEU 66 HD12 LEU 66 -4.429 10.350 -3.234 506 3HD1 LEU 66 HD13 LEU 66 -5.241 11.840 -2.752 507 1HD2 LEU 66 HD21 LEU 66 -4.582 13.839 -3.668 508 2HD2 LEU 66 HD22 LEU 66 -5.132 13.754 -5.341 509 3HD2 LEU 66 HD23 LEU 66 -3.413 13.912 -4.987 510 H PHE 67 HN PHE 67 0.329 10.887 -5.543 511 HA PHE 67 HA PHE 67 0.520 9.028 -3.368 512 1HB PHE 67 HB2 PHE 67 1.205 8.728 -5.898 513 2HB PHE 67 HB1 PHE 67 2.745 9.375 -5.337 514 HD1 PHE 67 HD1 PHE 67 4.347 7.844 -4.651 515 HD2 PHE 67 HD2 PHE 67 0.223 6.839 -4.313 516 HE1 PHE 67 HE1 PHE 67 4.957 5.614 -3.812 517 HE2 PHE 67 HE2 PHE 67 0.845 4.618 -3.482 518 HZ PHE 67 HZ PHE 67 3.184 3.998 -3.225 519 H GLU 68 HN GLU 68 2.688 11.574 -4.613 520 HA GLU 68 HA GLU 68 4.731 11.465 -2.839 521 1HB GLU 68 HB2 GLU 68 3.371 13.915 -3.957 522 2HB GLU 68 HB1 GLU 68 4.901 13.965 -3.091 523 1HG GLU 68 HG2 GLU 68 5.934 12.564 -4.770 524 2HG GLU 68 HG1 GLU 68 4.397 12.414 -5.620 525 H GLN 69 HN GLN 69 1.666 13.191 -2.286 526 HA GLN 69 HA GLN 69 2.261 14.216 0.238 527 1HB GLN 69 HB2 GLN 69 -0.022 14.019 -1.458 528 2HB GLN 69 HB1 GLN 69 -0.505 13.539 0.164 529 1HG GLN 69 HG2 GLN 69 0.490 15.645 1.019 530 2HG GLN 69 HG1 GLN 69 0.790 16.126 -0.651 531 1HE2 GLN 69 HE21 GLN 69 -0.551 17.881 -0.635 532 2HE2 GLN 69 HE22 GLN 69 -2.271 17.763 -0.517 533 H HIS 70 HN HIS 70 0.270 11.355 -0.452 534 HA HIS 70 HA HIS 70 0.160 10.453 2.215 535 1HB HIS 70 HB2 HIS 70 -0.514 9.339 -0.437 536 2HB HIS 70 HB1 HIS 70 -0.159 8.141 0.804 537 HD2 HIS 70 HD2 HIS 70 -3.028 10.399 -0.316 538 HE1 HIS 70 HE1 HIS 70 -4.094 8.839 3.483 539 HE2 HIS 70 HE2 HIS 70 -4.924 9.973 1.392 540 H TYR 71 HN TYR 71 2.205 9.405 -0.492 541 HA TYR 71 HA TYR 71 3.751 7.584 1.011 542 1HB TYR 71 HB2 TYR 71 3.862 7.180 -1.260 543 2HB TYR 71 HB1 TYR 71 3.956 8.881 -1.671 544 HD1 TYR 71 HD1 TYR 71 5.999 9.852 -2.218 545 HD2 TYR 71 HD2 TYR 71 5.953 6.086 -0.247 546 HE1 TYR 71 HE1 TYR 71 8.414 9.625 -2.611 547 HE2 TYR 71 HE2 TYR 71 8.373 5.853 -0.621 548 HH TYR 71 HH TYR 71 10.357 8.315 -1.429 549 H LYS 72 HN LYS 72 3.662 10.976 1.062 550 HA LYS 72 HA LYS 72 6.375 11.628 1.489 551 1HB LYS 72 HB2 LYS 72 4.301 13.190 1.123 552 2HB LYS 72 HB1 LYS 72 4.161 13.112 2.869 553 1HG LYS 72 HG2 LYS 72 6.754 13.863 1.586 554 2HG LYS 72 HG1 LYS 72 5.470 15.053 1.797 555 1HD LYS 72 HD2 LYS 72 6.506 13.371 4.067 556 2HD LYS 72 HD1 LYS 72 7.224 14.921 3.631 557 1HE LYS 72 HE2 LYS 72 5.281 16.106 4.183 558 2HE LYS 72 HE1 LYS 72 4.283 14.653 4.167 559 1HZ LYS 72 HZ1 LYS 72 6.026 15.688 6.262 560 2HZ LYS 72 HZ2 LYS 72 5.977 14.006 6.082 561 3HZ LYS 72 HZ3 LYS 72 4.553 14.865 6.387 562 H GLU 73 HN GLU 73 3.790 11.527 3.937 563 HA GLU 73 HA GLU 73 5.389 11.583 6.185 564 1HB GLU 73 HB2 GLU 73 2.699 11.398 5.695 565 2HB GLU 73 HB1 GLU 73 3.034 9.831 6.418 566 1HG GLU 73 HG2 GLU 73 4.233 12.078 7.848 567 2HG GLU 73 HG1 GLU 73 2.472 12.121 7.782 568 H ALA 74 HN ALA 74 4.366 8.848 4.233 569 HA ALA 74 HA ALA 74 5.534 6.855 5.891 570 1HB ALA 74 HB1 ALA 74 4.605 5.403 4.452 571 2HB ALA 74 HB2 ALA 74 5.249 6.246 3.045 572 3HB ALA 74 HB3 ALA 74 3.777 6.827 3.821 573 H SER 75 HN SER 75 6.673 8.897 3.294 574 HA SER 75 HA SER 75 8.939 7.449 2.526 575 1HB SER 75 HB2 SER 75 7.858 9.815 1.720 576 2HB SER 75 HB1 SER 75 9.253 10.397 2.624 577 HG SER 75 HG SER 75 10.168 10.017 0.739 578 H ALA 76 HN ALA 76 8.644 10.089 4.896 579 HA ALA 76 HA ALA 76 11.206 10.192 5.864 580 1HB ALA 76 HB1 ALA 76 8.869 11.343 6.587 581 2HB ALA 76 HB2 ALA 76 10.362 11.470 7.518 582 3HB ALA 76 HB3 ALA 76 9.144 10.274 7.963 583 H ALA 77 HN ALA 77 8.700 7.844 6.614 584 HA ALA 77 HA ALA 77 10.235 6.477 8.634 585 1HB ALA 77 HB1 ALA 77 7.834 5.417 7.169 586 2HB ALA 77 HB2 ALA 77 7.725 6.545 8.519 587 3HB ALA 77 HB3 ALA 77 8.430 4.946 8.761 588 H TYR 78 HN TYR 78 10.186 6.481 5.260 589 HA TYR 78 HA TYR 78 10.864 3.825 4.607 590 1HB TYR 78 HB2 TYR 78 10.146 5.766 3.074 591 2HB TYR 78 HB1 TYR 78 11.820 6.292 3.149 592 HD1 TYR 78 HD1 TYR 78 10.173 5.509 0.694 593 HD2 TYR 78 HD2 TYR 78 12.894 3.320 3.121 594 HE1 TYR 78 HE1 TYR 78 10.703 4.057 -1.223 595 HE2 TYR 78 HE2 TYR 78 13.436 1.864 1.228 596 HH TYR 78 HH TYR 78 13.169 1.517 -0.973 597 H GLU 79 HN GLU 79 12.841 6.709 5.176 598 HA GLU 79 HA GLU 79 15.346 5.440 4.884 599 1HB GLU 79 HB2 GLU 79 14.527 7.988 6.274 600 2HB GLU 79 HB1 GLU 79 16.199 7.471 6.130 601 1HG GLU 79 HG2 GLU 79 15.376 7.299 3.553 602 2HG GLU 79 HG1 GLU 79 14.409 8.653 4.137 603 H SER 80 HN SER 80 13.446 6.250 7.784 604 HA SER 80 HA SER 80 15.278 5.382 9.675 605 1HB SER 80 HB2 SER 80 12.480 6.132 9.641 606 2HB SER 80 HB1 SER 80 12.771 4.808 10.770 607 HG SER 80 HG SER 80 13.146 6.685 11.874 608 H PHE 81 HN PHE 81 12.589 3.581 8.192 609 HA PHE 81 HA PHE 81 13.123 1.161 9.541 610 1HB PHE 81 HB2 PHE 81 11.236 2.113 7.609 611 2HB PHE 81 HB1 PHE 81 11.872 0.564 7.070 612 HD1 PHE 81 HD1 PHE 81 10.847 -1.349 7.812 613 HD2 PHE 81 HD2 PHE 81 10.567 2.185 10.164 614 HE1 PHE 81 HE1 PHE 81 9.348 -2.515 9.377 615 HE2 PHE 81 HE2 PHE 81 9.066 1.027 11.734 616 HZ PHE 81 HZ PHE 81 8.456 -1.326 11.342 617 H LYS 82 HN LYS 82 14.092 2.368 6.349 618 HA LYS 82 HA LYS 82 15.405 -0.019 5.578 619 1HB LYS 82 HB2 LYS 82 15.327 2.769 4.551 620 2HB LYS 82 HB1 LYS 82 16.605 1.699 3.982 621 1HG LYS 82 HG2 LYS 82 13.719 0.893 3.910 622 2HG LYS 82 HG1 LYS 82 14.473 1.814 2.610 623 1HD LYS 82 HD2 LYS 82 14.849 -0.281 1.810 624 2HD LYS 82 HD1 LYS 82 16.287 -0.120 2.814 625 1HE LYS 82 HE2 LYS 82 14.973 -1.220 4.663 626 2HE LYS 82 HE1 LYS 82 13.721 -1.555 3.474 627 1HZ LYS 82 HZ1 LYS 82 15.743 -3.205 4.031 628 2HZ LYS 82 HZ2 LYS 82 16.394 -2.367 2.715 629 3HZ LYS 82 HZ3 LYS 82 14.925 -3.187 2.550 630 H LYS 83 HN LYS 83 16.502 2.970 7.091 631 HA LYS 83 HA LYS 83 19.234 2.070 7.170 632 1HB LYS 83 HB2 LYS 83 17.926 4.488 8.414 633 2HB LYS 83 HB1 LYS 83 19.658 4.175 8.390 634 1HG LYS 83 HG2 LYS 83 19.727 4.348 6.008 635 2HG LYS 83 HG1 LYS 83 17.969 4.439 5.915 636 1HD LYS 83 HD2 LYS 83 17.917 6.624 6.541 637 2HD LYS 83 HD1 LYS 83 19.327 6.469 7.591 638 1HE LYS 83 HE2 LYS 83 20.796 6.448 5.664 639 2HE LYS 83 HE1 LYS 83 19.412 6.492 4.575 640 1HZ LYS 83 HZ1 LYS 83 19.669 8.686 4.620 641 2HZ LYS 83 HZ2 LYS 83 20.718 8.639 5.945 642 3HZ LYS 83 HZ3 LYS 83 19.045 8.653 6.194 643 H GLU 84 HN GLU 84 16.575 1.252 8.909 644 HA GLU 84 HA GLU 84 17.475 1.322 11.581 645 1HB GLU 84 HB2 GLU 84 15.115 0.764 10.505 646 2HB GLU 84 HB1 GLU 84 15.705 -0.887 10.631 647 1HG GLU 84 HG2 GLU 84 14.499 -0.549 12.588 648 2HG GLU 84 HG1 GLU 84 16.181 -0.352 13.075 649 H GLN 85 HN GLN 85 17.554 -1.257 9.138 650 HA GLN 85 HA GLN 85 19.264 -2.864 10.867 651 1HB GLN 85 HB2 GLN 85 18.933 -4.638 9.218 652 2HB GLN 85 HB1 GLN 85 17.399 -3.978 9.766 653 1HG GLN 85 HG2 GLN 85 18.448 -2.677 7.374 654 2HG GLN 85 HG1 GLN 85 18.120 -4.396 7.167 655 1HE2 GLN 85 HE21 GLN 85 16.251 -4.567 6.151 656 2HE2 GLN 85 HE22 GLN 85 14.795 -3.735 6.564 657 H GLU 86 HN GLU 86 20.324 -0.413 9.677 658 HA GLU 86 HA GLU 86 22.195 -1.388 7.658 659 1HB GLU 86 HB2 GLU 86 21.508 1.330 8.720 660 2HB GLU 86 HB1 GLU 86 23.014 1.080 7.851 661 1HG GLU 86 HG2 GLU 86 20.644 0.006 6.509 662 2HG GLU 86 HG1 GLU 86 20.653 1.753 6.718 663 H GLN 87 HN GLN 87 22.245 -2.164 10.585 664 HA GLN 87 HA GLN 87 24.862 -1.100 11.355 665 1HB GLN 87 HB2 GLN 87 22.609 -1.514 12.841 666 2HB GLN 87 HB1 GLN 87 23.515 -2.985 13.170 667 1HG GLN 87 HG2 GLN 87 25.245 -0.706 13.338 668 2HG GLN 87 HG1 GLN 87 23.826 -0.472 14.358 669 1HE2 GLN 87 HE21 GLN 87 26.338 -2.834 13.575 670 2HE2 GLN 87 HE22 GLN 87 26.459 -3.497 15.165 671 H GLN 88 HN GLN 88 23.183 -4.096 10.607 672 HA GLN 88 HA GLN 88 25.664 -5.611 10.910 673 1HB GLN 88 HB2 GLN 88 22.847 -6.546 10.328 674 2HB GLN 88 HB1 GLN 88 24.234 -7.597 10.571 675 1HG GLN 88 HG2 GLN 88 24.303 -6.091 12.831 676 2HG GLN 88 HG1 GLN 88 22.569 -6.186 12.521 677 1HE2 GLN 88 HE21 GLN 88 21.604 -8.278 12.358 678 2HE2 GLN 88 HE22 GLN 88 22.310 -9.630 13.171 679 H THR 89 HN THR 89 26.957 -5.768 9.208 680 HA THR 89 HA THR 89 25.778 -5.642 6.519 681 HB THR 89 HB THR 89 28.669 -5.249 7.319 682 HG1 THR 89 HG1 THR 89 28.068 -2.995 6.769 683 1HG2 THR 89 HG21 THR 89 27.614 -4.075 4.841 684 2HG2 THR 89 HG22 THR 89 27.800 -5.829 4.846 685 3HG2 THR 89 HG23 THR 89 29.187 -4.793 5.185 686 H GLU 90 HN GLU 90 25.160 -7.770 6.302 687 HA GLU 90 HA GLU 90 26.773 -9.988 6.949 688 1HB GLU 90 HB2 GLU 90 24.170 -9.532 5.899 689 2HB GLU 90 HB1 GLU 90 24.987 -10.655 4.820 690 1HG GLU 90 HG2 GLU 90 23.857 -11.965 6.413 691 2HG GLU 90 HG1 GLU 90 25.564 -12.018 6.853 692 H GLN 91 HN GLN 91 27.930 -11.411 5.632 693 HA GLN 91 HA GLN 91 29.175 -10.132 3.318 694 1HB GLN 91 HB2 GLN 91 30.500 -11.163 5.245 695 2HB GLN 91 HB1 GLN 91 30.008 -12.726 4.607 696 1HG GLN 91 HG2 GLN 91 31.594 -12.677 3.067 697 2HG GLN 91 HG1 GLN 91 31.087 -11.082 2.513 698 1HE2 GLN 91 HE21 GLN 91 33.722 -12.564 3.279 699 2HE2 GLN 91 HE22 GLN 91 34.582 -11.360 4.169 700 H ALA 92 HN ALA 92 29.478 -11.274 1.330 701 HA ALA 92 HA ALA 92 27.261 -13.102 0.756 702 1HB ALA 92 HB1 ALA 92 27.429 -12.457 -1.501 703 2HB ALA 92 HB2 ALA 92 29.044 -11.786 -1.273 704 3HB ALA 92 HB3 ALA 92 27.644 -10.973 -0.573 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -2.205 -29.546 -9.660 2 2H GLY 1 HT2 GLY 1 -2.402 -29.979 -11.282 3 3H GLY 1 HT3 GLY 1 -1.152 -30.663 -10.371 4 1HA GLY 1 HA1 GLY 1 -2.625 -31.924 -9.062 5 2HA GLY 1 HA2 GLY 1 -4.004 -31.027 -9.673 6 HA PRO 2 HA PRO 2 -2.386 -34.467 -12.795 7 1HB PRO 2 HB2 PRO 2 -2.572 -36.854 -11.456 8 2HB PRO 2 HB1 PRO 2 -1.063 -35.965 -11.681 9 1HG PRO 2 HG2 PRO 2 -2.886 -36.034 -9.308 10 2HG PRO 2 HG1 PRO 2 -1.113 -36.085 -9.361 11 1HD PRO 2 HD2 PRO 2 -2.434 -33.832 -8.756 12 2HD PRO 2 HD1 PRO 2 -0.932 -33.801 -9.702 13 H LEU 3 HN LEU 3 -4.603 -35.248 -10.124 14 HA LEU 3 HA LEU 3 -6.539 -36.413 -11.914 15 1HB LEU 3 HB2 LEU 3 -7.846 -36.846 -9.930 16 2HB LEU 3 HB1 LEU 3 -6.180 -37.318 -9.658 17 HG LEU 3 HG LEU 3 -6.956 -34.593 -8.775 18 1HD1 LEU 3 HD11 LEU 3 -7.580 -36.002 -6.557 19 2HD1 LEU 3 HD12 LEU 3 -8.235 -37.057 -7.809 20 3HD1 LEU 3 HD13 LEU 3 -8.768 -35.378 -7.701 21 1HD2 LEU 3 HD21 LEU 3 -5.206 -36.802 -7.710 22 2HD2 LEU 3 HD22 LEU 3 -5.514 -35.298 -6.844 23 3HD2 LEU 3 HD23 LEU 3 -4.699 -35.263 -8.404 24 H GLY 4 HN GLY 4 -8.531 -35.584 -12.487 25 1HA GLY 4 HA2 GLY 4 -8.757 -32.672 -12.247 26 2HA GLY 4 HA1 GLY 4 -9.603 -33.681 -13.409 27 H SER 5 HN SER 5 -10.368 -31.627 -11.241 28 HA SER 5 HA SER 5 -12.311 -33.264 -9.769 29 1HB SER 5 HB2 SER 5 -10.813 -30.813 -9.161 30 2HB SER 5 HB1 SER 5 -12.515 -30.740 -8.709 31 HG SER 5 HG SER 5 -10.741 -32.834 -7.986 32 HA PRO 6 HA PRO 6 -14.958 -31.485 -13.163 33 1HB PRO 6 HB2 PRO 6 -16.712 -33.563 -11.952 34 2HB PRO 6 HB1 PRO 6 -16.405 -33.203 -13.655 35 1HG PRO 6 HG2 PRO 6 -15.315 -35.335 -12.479 36 2HG PRO 6 HG1 PRO 6 -14.422 -34.393 -13.686 37 1HD PRO 6 HD2 PRO 6 -14.106 -34.465 -10.725 38 2HD PRO 6 HD1 PRO 6 -12.889 -34.226 -11.990 39 H ARG 7 HN ARG 7 -15.998 -29.650 -12.672 40 HA ARG 7 HA ARG 7 -17.024 -29.184 -10.027 41 1HB ARG 7 HB2 ARG 7 -17.625 -26.949 -10.898 42 2HB ARG 7 HB1 ARG 7 -15.940 -27.361 -11.178 43 1HG ARG 7 HG2 ARG 7 -16.155 -27.218 -13.391 44 2HG ARG 7 HG1 ARG 7 -17.683 -28.097 -13.395 45 1HD ARG 7 HD2 ARG 7 -18.437 -25.752 -12.265 46 2HD ARG 7 HD1 ARG 7 -17.158 -25.203 -13.341 47 HE ARG 7 HE ARG 7 -18.400 -26.153 -15.183 48 1HH1 ARG 7 HH11 ARG 7 -20.155 -25.869 -12.168 49 2HH1 ARG 7 HH12 ARG 7 -21.704 -25.877 -12.935 50 1HH2 ARG 7 HH21 ARG 7 -20.442 -26.165 -16.176 51 2HH2 ARG 7 HH22 ARG 7 -21.869 -26.048 -15.203 52 H ASN 8 HN ASN 8 -18.871 -30.104 -9.444 53 HA ASN 8 HA ASN 8 -20.968 -30.664 -11.338 54 1HB ASN 8 HB2 ASN 8 -20.281 -31.463 -8.636 55 2HB ASN 8 HB1 ASN 8 -21.989 -31.055 -8.761 56 1HD2 ASN 8 HD21 ASN 8 -19.980 -33.547 -8.831 57 2HD2 ASN 8 HD22 ASN 8 -20.804 -34.603 -9.923 58 H ALA 9 HN ALA 9 -21.164 -29.016 -8.185 59 HA ALA 9 HA ALA 9 -23.469 -27.533 -8.943 60 1HB ALA 9 HB1 ALA 9 -22.186 -28.138 -6.556 61 2HB ALA 9 HB2 ALA 9 -23.630 -27.149 -6.757 62 3HB ALA 9 HB3 ALA 9 -22.041 -26.386 -6.704 63 H ASN 10 HN ASN 10 -23.134 -24.992 -8.103 64 HA ASN 10 HA ASN 10 -21.516 -23.872 -10.247 65 1HB ASN 10 HB2 ASN 10 -23.726 -22.852 -8.508 66 2HB ASN 10 HB1 ASN 10 -22.645 -21.696 -9.280 67 1HD2 ASN 10 HD21 ASN 10 -24.358 -24.680 -10.164 68 2HD2 ASN 10 HD22 ASN 10 -24.974 -24.079 -11.663 69 H ASP 11 HN ASP 11 -19.406 -23.945 -9.578 70 HA ASP 11 HA ASP 11 -18.575 -23.154 -6.962 71 1HB ASP 11 HB2 ASP 11 -16.270 -23.212 -7.998 72 2HB ASP 11 HB1 ASP 11 -17.184 -24.711 -8.123 73 H ASN 12 HN ASN 12 -17.724 -21.235 -6.261 74 HA ASN 12 HA ASN 12 -18.185 -18.944 -8.023 75 1HB ASN 12 HB2 ASN 12 -18.177 -19.358 -5.080 76 2HB ASN 12 HB1 ASN 12 -17.667 -17.778 -5.670 77 1HD2 ASN 12 HD21 ASN 12 -20.103 -20.032 -6.891 78 2HD2 ASN 12 HD22 ASN 12 -21.433 -18.936 -6.767 79 H ASN 13 HN ASN 13 -16.368 -18.843 -9.282 80 HA ASN 13 HA ASN 13 -13.904 -18.097 -7.874 81 1HB ASN 13 HB2 ASN 13 -14.229 -20.481 -9.340 82 2HB ASN 13 HB1 ASN 13 -13.281 -19.411 -10.369 83 1HD2 ASN 13 HD21 ASN 13 -11.459 -20.716 -10.127 84 2HD2 ASN 13 HD22 ASN 13 -10.532 -20.726 -8.669 85 H GLN 14 HN GLN 14 -15.887 -16.406 -8.950 86 HA GLN 14 HA GLN 14 -15.136 -15.497 -11.549 87 1HB GLN 14 HB2 GLN 14 -16.712 -14.060 -9.406 88 2HB GLN 14 HB1 GLN 14 -16.641 -13.622 -11.105 89 1HG GLN 14 HG2 GLN 14 -17.583 -16.338 -10.317 90 2HG GLN 14 HG1 GLN 14 -18.667 -14.955 -10.181 91 1HE2 GLN 14 HE21 GLN 14 -19.025 -17.197 -11.883 92 2HE2 GLN 14 HE22 GLN 14 -18.993 -16.629 -13.515 93 H PHE 15 HN PHE 15 -12.758 -15.509 -10.786 94 HA PHE 15 HA PHE 15 -11.937 -13.203 -9.252 95 1HB PHE 15 HB2 PHE 15 -10.465 -15.410 -10.673 96 2HB PHE 15 HB1 PHE 15 -9.608 -14.008 -10.045 97 HD1 PHE 15 HD1 PHE 15 -12.341 -16.197 -8.750 98 HD2 PHE 15 HD2 PHE 15 -8.498 -14.492 -8.101 99 HE1 PHE 15 HE1 PHE 15 -12.249 -17.264 -6.536 100 HE2 PHE 15 HE2 PHE 15 -8.395 -15.558 -5.885 101 HZ PHE 15 HZ PHE 15 -10.273 -16.947 -5.100 102 H TYR 16 HN TYR 16 -13.457 -12.472 -11.489 103 HA TYR 16 HA TYR 16 -11.557 -11.440 -13.451 104 1HB TYR 16 HB2 TYR 16 -13.823 -12.580 -14.012 105 2HB TYR 16 HB1 TYR 16 -14.537 -11.043 -13.540 106 HD1 TYR 16 HD1 TYR 16 -13.578 -8.929 -14.734 107 HD2 TYR 16 HD2 TYR 16 -13.145 -12.897 -16.206 108 HE1 TYR 16 HE1 TYR 16 -13.170 -8.042 -16.991 109 HE2 TYR 16 HE2 TYR 16 -12.734 -12.020 -18.466 110 HH TYR 16 HH TYR 16 -11.812 -9.124 -19.177 111 H GLN 17 HN GLN 17 -14.039 -10.346 -11.183 112 HA GLN 17 HA GLN 17 -13.389 -7.560 -11.643 113 1HB GLN 17 HB2 GLN 17 -15.406 -9.021 -9.974 114 2HB GLN 17 HB1 GLN 17 -15.060 -7.328 -9.646 115 1HG GLN 17 HG2 GLN 17 -15.492 -7.043 -12.202 116 2HG GLN 17 HG1 GLN 17 -16.350 -8.575 -12.022 117 1HE2 GLN 17 HE21 GLN 17 -18.183 -7.226 -12.695 118 2HE2 GLN 17 HE22 GLN 17 -19.054 -6.356 -11.482 119 H GLN 18 HN GLN 18 -12.814 -10.061 -9.268 120 HA GLN 18 HA GLN 18 -11.775 -8.353 -7.255 121 1HB GLN 18 HB2 GLN 18 -11.495 -11.319 -7.730 122 2HB GLN 18 HB1 GLN 18 -10.811 -10.500 -6.332 123 1HG GLN 18 HG2 GLN 18 -12.896 -10.021 -5.432 124 2HG GLN 18 HG1 GLN 18 -13.721 -10.250 -6.974 125 1HE2 GLN 18 HE21 GLN 18 -13.752 -12.460 -7.832 126 2HE2 GLN 18 HE22 GLN 18 -13.866 -13.776 -6.719 127 H LYS 19 HN LYS 19 -10.425 -9.934 -10.047 128 HA LYS 19 HA LYS 19 -7.708 -9.808 -9.393 129 1HB LYS 19 HB2 LYS 19 -8.923 -10.921 -11.413 130 2HB LYS 19 HB1 LYS 19 -8.669 -9.369 -12.198 131 1HG LYS 19 HG2 LYS 19 -6.630 -10.009 -12.753 132 2HG LYS 19 HG1 LYS 19 -6.208 -10.108 -11.044 133 1HD LYS 19 HD2 LYS 19 -5.722 -12.223 -12.065 134 2HD LYS 19 HD1 LYS 19 -7.127 -12.425 -11.017 135 1HE LYS 19 HE2 LYS 19 -7.565 -13.584 -13.056 136 2HE LYS 19 HE1 LYS 19 -8.571 -12.134 -13.036 137 1HZ LYS 19 HZ1 LYS 19 -6.798 -11.056 -14.404 138 2HZ LYS 19 HZ2 LYS 19 -7.629 -12.307 -15.183 139 3HZ LYS 19 HZ3 LYS 19 -6.076 -12.577 -14.572 140 H GLN 20 HN GLN 20 -9.939 -7.357 -10.312 141 HA GLN 20 HA GLN 20 -8.009 -5.436 -11.184 142 1HB GLN 20 HB2 GLN 20 -10.926 -5.471 -10.649 143 2HB GLN 20 HB1 GLN 20 -10.130 -3.910 -10.506 144 1HG GLN 20 HG2 GLN 20 -9.530 -3.865 -12.744 145 2HG GLN 20 HG1 GLN 20 -9.710 -5.608 -12.929 146 1HE2 GLN 20 HE21 GLN 20 -11.201 -5.795 -14.472 147 2HE2 GLN 20 HE22 GLN 20 -12.779 -5.091 -14.425 148 H ARG 21 HN ARG 21 -9.588 -6.233 -8.151 149 HA ARG 21 HA ARG 21 -8.919 -4.025 -6.607 150 1HB ARG 21 HB2 ARG 21 -9.255 -6.928 -5.926 151 2HB ARG 21 HB1 ARG 21 -8.884 -5.728 -4.697 152 1HG ARG 21 HG2 ARG 21 -10.945 -4.786 -4.787 153 2HG ARG 21 HG1 ARG 21 -11.155 -5.146 -6.502 154 1HD ARG 21 HD2 ARG 21 -12.690 -6.477 -5.216 155 2HD ARG 21 HD1 ARG 21 -11.465 -7.521 -5.923 156 HE ARG 21 HE ARG 21 -10.377 -7.499 -3.700 157 1HH1 ARG 21 HH11 ARG 21 -13.795 -6.790 -3.947 158 2HH1 ARG 21 HH12 ARG 21 -14.134 -7.296 -2.328 159 1HH2 ARG 21 HH21 ARG 21 -10.836 -8.162 -1.582 160 2HH2 ARG 21 HH22 ARG 21 -12.459 -8.069 -0.986 161 H GLN 22 HN GLN 22 -7.117 -7.079 -6.915 162 HA GLN 22 HA GLN 22 -4.841 -6.077 -5.507 163 1HB GLN 22 HB2 GLN 22 -5.769 -8.602 -6.483 164 2HB GLN 22 HB1 GLN 22 -4.123 -8.351 -7.047 165 1HG GLN 22 HG2 GLN 22 -4.724 -7.800 -4.194 166 2HG GLN 22 HG1 GLN 22 -4.645 -9.480 -4.727 167 1HE2 GLN 22 HE21 GLN 22 -2.862 -8.938 -2.947 168 2HE2 GLN 22 HE22 GLN 22 -1.287 -8.691 -3.614 169 H ALA 23 HN ALA 23 -5.947 -5.521 -8.609 170 HA ALA 23 HA ALA 23 -3.416 -5.533 -9.972 171 1HB ALA 23 HB1 ALA 23 -6.199 -4.764 -10.673 172 2HB ALA 23 HB2 ALA 23 -5.083 -5.856 -11.494 173 3HB ALA 23 HB3 ALA 23 -4.881 -4.111 -11.645 174 H LEU 24 HN LEU 24 -5.660 -2.816 -9.394 175 HA LEU 24 HA LEU 24 -3.613 -0.871 -9.709 176 1HB LEU 24 HB2 LEU 24 -6.449 -0.817 -8.788 177 2HB LEU 24 HB1 LEU 24 -5.455 0.609 -8.590 178 HG LEU 24 HG LEU 24 -6.769 0.766 -10.619 179 1HD1 LEU 24 HD11 LEU 24 -5.111 1.694 -11.812 180 2HD1 LEU 24 HD12 LEU 24 -4.157 0.211 -11.838 181 3HD1 LEU 24 HD13 LEU 24 -4.112 1.265 -10.424 182 1HD2 LEU 24 HD21 LEU 24 -5.372 -1.765 -11.472 183 2HD2 LEU 24 HD22 LEU 24 -6.500 -0.816 -12.442 184 3HD2 LEU 24 HD23 LEU 24 -7.063 -1.640 -10.987 185 H GLY 25 HN GLY 25 -4.948 -2.577 -6.949 186 1HA GLY 25 HA2 GLY 25 -3.967 -0.918 -4.899 187 2HA GLY 25 HA1 GLY 25 -4.275 -2.644 -4.746 188 H GLU 26 HN GLU 26 -2.472 -3.635 -6.618 189 HA GLU 26 HA GLU 26 -0.089 -3.744 -5.144 190 1HB GLU 26 HB2 GLU 26 -1.140 -4.926 -7.535 191 2HB GLU 26 HB1 GLU 26 0.498 -4.378 -7.849 192 1HG GLU 26 HG2 GLU 26 1.269 -5.635 -5.880 193 2HG GLU 26 HG1 GLU 26 -0.374 -6.224 -5.637 194 H GLN 27 HN GLN 27 -1.190 -1.621 -7.690 195 HA GLN 27 HA GLN 27 1.206 -0.533 -8.569 196 1HB GLN 27 HB2 GLN 27 -1.574 0.158 -8.707 197 2HB GLN 27 HB1 GLN 27 -0.630 1.605 -8.392 198 1HG GLN 27 HG2 GLN 27 0.828 0.454 -10.361 199 2HG GLN 27 HG1 GLN 27 -0.800 -0.068 -10.792 200 1HE2 GLN 27 HE21 GLN 27 -1.159 1.183 -12.530 201 2HE2 GLN 27 HE22 GLN 27 -1.187 2.910 -12.504 202 H LEU 28 HN LEU 28 -0.689 0.143 -5.686 203 HA LEU 28 HA LEU 28 0.636 2.416 -4.749 204 1HB LEU 28 HB2 LEU 28 -1.448 1.027 -3.847 205 2HB LEU 28 HB1 LEU 28 -0.228 0.310 -2.813 206 HG LEU 28 HG LEU 28 0.369 2.634 -2.049 207 1HD1 LEU 28 HD11 LEU 28 -0.716 3.683 -4.090 208 2HD1 LEU 28 HD12 LEU 28 -1.013 4.461 -2.536 209 3HD1 LEU 28 HD13 LEU 28 -2.253 3.440 -3.262 210 1HD2 LEU 28 HD21 LEU 28 -2.259 2.733 -1.083 211 2HD2 LEU 28 HD22 LEU 28 -0.863 1.969 -0.323 212 3HD2 LEU 28 HD23 LEU 28 -1.920 1.025 -1.370 213 H TYR 29 HN TYR 29 1.316 -1.018 -4.253 214 HA TYR 29 HA TYR 29 3.577 -0.617 -2.586 215 1HB TYR 29 HB2 TYR 29 2.415 -2.704 -2.485 216 2HB TYR 29 HB1 TYR 29 2.647 -2.988 -4.206 217 HD1 TYR 29 HD1 TYR 29 4.918 -2.122 -1.352 218 HD2 TYR 29 HD2 TYR 29 4.076 -4.732 -4.605 219 HE1 TYR 29 HE1 TYR 29 6.971 -3.386 -0.863 220 HE2 TYR 29 HE2 TYR 29 6.124 -6.003 -4.125 221 HH TYR 29 HH TYR 29 7.584 -6.339 -1.833 222 H LYS 30 HN LYS 30 3.402 -1.599 -6.035 223 HA LYS 30 HA LYS 30 6.156 -1.622 -6.492 224 1HB LYS 30 HB2 LYS 30 5.539 -1.279 -8.913 225 2HB LYS 30 HB1 LYS 30 4.746 -2.628 -8.117 226 1HG LYS 30 HG2 LYS 30 2.700 -1.498 -7.997 227 2HG LYS 30 HG1 LYS 30 3.442 0.061 -8.354 228 1HD LYS 30 HD2 LYS 30 3.464 -2.219 -10.317 229 2HD LYS 30 HD1 LYS 30 2.134 -1.059 -10.233 230 1HE LYS 30 HE2 LYS 30 3.612 0.762 -10.726 231 2HE LYS 30 HE1 LYS 30 5.022 -0.290 -10.617 232 1HZ LYS 30 HZ1 LYS 30 4.147 0.278 -12.920 233 2HZ LYS 30 HZ2 LYS 30 2.878 -0.790 -12.588 234 3HZ LYS 30 HZ3 LYS 30 4.473 -1.352 -12.600 235 H LYS 31 HN LYS 31 3.891 1.049 -6.492 236 HA LYS 31 HA LYS 31 5.482 2.952 -7.811 237 1HB LYS 31 HB2 LYS 31 3.005 3.100 -7.083 238 2HB LYS 31 HB1 LYS 31 3.636 3.668 -5.545 239 1HG LYS 31 HG2 LYS 31 4.500 5.618 -6.486 240 2HG LYS 31 HG1 LYS 31 4.428 4.968 -8.124 241 1HD LYS 31 HD2 LYS 31 2.034 5.096 -8.138 242 2HD LYS 31 HD1 LYS 31 2.001 5.534 -6.427 243 1HE LYS 31 HE2 LYS 31 2.863 7.667 -6.837 244 2HE LYS 31 HE1 LYS 31 3.453 7.219 -8.439 245 1HZ LYS 31 HZ1 LYS 31 1.594 8.323 -9.048 246 2HZ LYS 31 HZ2 LYS 31 0.777 8.014 -7.601 247 3HZ LYS 31 HZ3 LYS 31 0.872 6.815 -8.791 248 H VAL 32 HN VAL 32 5.511 1.754 -4.543 249 HA VAL 32 HA VAL 32 7.303 3.808 -3.565 250 HB VAL 32 HB VAL 32 6.642 1.175 -2.249 251 1HG1 VAL 32 HG11 VAL 32 7.862 3.751 -1.315 252 2HG1 VAL 32 HG12 VAL 32 8.489 2.109 -1.159 253 3HG1 VAL 32 HG13 VAL 32 7.109 2.621 -0.190 254 1HG2 VAL 32 HG21 VAL 32 5.266 3.615 -1.351 255 2HG2 VAL 32 HG22 VAL 32 4.667 1.965 -1.503 256 3HG2 VAL 32 HG23 VAL 32 4.768 3.001 -2.927 257 H SER 33 HN SER 33 7.566 0.305 -4.187 258 HA SER 33 HA SER 33 10.401 0.297 -3.819 259 1HB SER 33 HB2 SER 33 8.303 -1.677 -4.472 260 2HB SER 33 HB1 SER 33 9.901 -2.032 -5.126 261 HG SER 33 HG SER 33 9.836 -1.225 -2.475 262 H ALA 34 HN ALA 34 8.779 1.775 -6.155 263 HA ALA 34 HA ALA 34 9.720 0.803 -8.586 264 1HB ALA 34 HB1 ALA 34 9.000 3.588 -7.712 265 2HB ALA 34 HB2 ALA 34 8.005 2.432 -8.597 266 3HB ALA 34 HB3 ALA 34 9.404 3.171 -9.377 267 H LYS 35 HN LYS 35 11.431 2.309 -6.036 268 HA LYS 35 HA LYS 35 13.681 2.964 -7.812 269 1HB LYS 35 HB2 LYS 35 13.345 3.689 -4.899 270 2HB LYS 35 HB1 LYS 35 14.562 4.302 -6.007 271 1HG LYS 35 HG2 LYS 35 12.812 5.403 -7.313 272 2HG LYS 35 HG1 LYS 35 11.598 4.796 -6.187 273 1HD LYS 35 HD2 LYS 35 11.911 6.639 -4.978 274 2HD LYS 35 HD1 LYS 35 13.523 6.034 -4.586 275 1HE LYS 35 HE2 LYS 35 14.283 7.103 -6.765 276 2HE LYS 35 HE1 LYS 35 12.721 7.923 -6.786 277 1HZ LYS 35 HZ1 LYS 35 14.978 8.792 -5.528 278 2HZ LYS 35 HZ2 LYS 35 14.041 8.171 -4.262 279 3HZ LYS 35 HZ3 LYS 35 13.411 9.373 -5.267 280 H THR 36 HN THR 36 12.575 0.511 -5.837 281 HA THR 36 HA THR 36 14.937 -0.998 -6.046 282 HB THR 36 HB THR 36 15.830 0.415 -4.308 283 HG1 THR 36 HG1 THR 36 16.163 -1.163 -2.696 284 1HG2 THR 36 HG21 THR 36 13.489 -0.328 -2.576 285 2HG2 THR 36 HG22 THR 36 13.681 1.230 -3.382 286 3HG2 THR 36 HG23 THR 36 14.846 0.719 -2.159 287 H SER 37 HN SER 37 14.622 -3.156 -5.433 288 HA SER 37 HA SER 37 11.837 -3.892 -5.094 289 1HB SER 37 HB2 SER 37 14.222 -5.128 -6.187 290 2HB SER 37 HB1 SER 37 13.380 -6.231 -5.100 291 HG SER 37 HG SER 37 12.602 -6.360 -7.254 292 H ASN 38 HN ASN 38 12.911 -2.626 -2.855 293 HA ASN 38 HA ASN 38 13.624 -4.609 -0.889 294 1HB ASN 38 HB2 ASN 38 13.516 -1.691 -1.015 295 2HB ASN 38 HB1 ASN 38 12.956 -2.342 0.525 296 1HD2 ASN 38 HD21 ASN 38 14.358 -3.493 1.823 297 2HD2 ASN 38 HD22 ASN 38 16.072 -3.426 1.611 298 H GLU 39 HN GLU 39 12.005 -6.050 -0.534 299 HA GLU 39 HA GLU 39 9.266 -5.476 -0.527 300 1HB GLU 39 HB2 GLU 39 10.836 -7.700 0.772 301 2HB GLU 39 HB1 GLU 39 9.078 -7.636 0.788 302 1HG GLU 39 HG2 GLU 39 8.971 -7.812 -1.581 303 2HG GLU 39 HG1 GLU 39 10.714 -7.604 -1.733 304 H GLU 40 HN GLU 40 11.688 -5.061 1.925 305 HA GLU 40 HA GLU 40 9.752 -4.735 4.051 306 1HB GLU 40 HB2 GLU 40 12.673 -4.916 3.834 307 2HB GLU 40 HB1 GLU 40 12.118 -3.767 5.047 308 1HG GLU 40 HG2 GLU 40 10.808 -5.496 6.124 309 2HG GLU 40 HG1 GLU 40 11.283 -6.654 4.882 310 H ALA 41 HN ALA 41 11.416 -2.778 1.749 311 HA ALA 41 HA ALA 41 11.149 -0.275 3.090 312 1HB ALA 41 HB1 ALA 41 11.688 -1.028 0.234 313 2HB ALA 41 HB2 ALA 41 12.827 -0.422 1.435 314 3HB ALA 41 HB3 ALA 41 11.581 0.635 0.784 315 H ALA 42 HN ALA 42 9.699 -1.221 0.012 316 HA ALA 42 HA ALA 42 7.663 0.672 0.067 317 1HB ALA 42 HB1 ALA 42 8.096 -1.838 -1.497 318 2HB ALA 42 HB2 ALA 42 8.153 -0.159 -2.034 319 3HB ALA 42 HB3 ALA 42 6.600 -0.918 -1.671 320 H GLY 43 HN GLY 43 7.822 -2.557 1.416 321 1HA GLY 43 HA2 GLY 43 5.036 -2.888 1.849 322 2HA GLY 43 HA1 GLY 43 6.323 -3.723 2.715 323 H LYS 44 HN LYS 44 7.523 -1.083 3.434 324 HA LYS 44 HA LYS 44 6.178 -0.751 5.932 325 1HB LYS 44 HB2 LYS 44 8.700 -0.418 5.309 326 2HB LYS 44 HB1 LYS 44 8.184 1.203 4.865 327 1HG LYS 44 HG2 LYS 44 8.750 1.608 7.008 328 2HG LYS 44 HG1 LYS 44 7.086 1.090 7.282 329 1HD LYS 44 HD2 LYS 44 9.474 -0.747 7.402 330 2HD LYS 44 HD1 LYS 44 8.756 0.036 8.810 331 1HE LYS 44 HE2 LYS 44 6.561 -1.067 7.704 332 2HE LYS 44 HE1 LYS 44 7.783 -2.232 7.197 333 1HZ LYS 44 HZ1 LYS 44 7.385 -1.342 10.000 334 2HZ LYS 44 HZ2 LYS 44 8.407 -2.578 9.462 335 3HZ LYS 44 HZ3 LYS 44 6.730 -2.761 9.350 336 H ILE 45 HN ILE 45 6.784 1.454 3.214 337 HA ILE 45 HA ILE 45 5.097 3.517 4.102 338 HB ILE 45 HB ILE 45 5.979 2.813 1.305 339 1HG1 ILE 45 HG12 ILE 45 7.036 4.960 3.151 340 2HG1 ILE 45 HG11 ILE 45 7.743 3.350 3.034 341 1HG2 ILE 45 HG21 ILE 45 4.604 4.378 0.546 342 2HG2 ILE 45 HG22 ILE 45 5.457 5.569 1.522 343 3HG2 ILE 45 HG23 ILE 45 4.053 4.736 2.180 344 1HD1 ILE 45 HD11 ILE 45 7.367 4.862 0.527 345 2HD1 ILE 45 HD12 ILE 45 8.651 3.752 1.010 346 3HD1 ILE 45 HD13 ILE 45 8.628 5.400 1.634 347 H THR 46 HN THR 46 4.526 0.707 2.048 348 HA THR 46 HA THR 46 1.984 1.318 1.092 349 HB THR 46 HB THR 46 3.064 -1.390 1.913 350 HG1 THR 46 HG1 THR 46 2.900 -0.555 -0.745 351 1HG2 THR 46 HG21 THR 46 1.284 -2.419 1.055 352 2HG2 THR 46 HG22 THR 46 1.171 -1.300 -0.302 353 3HG2 THR 46 HG23 THR 46 0.463 -0.871 1.253 354 H GLY 47 HN GLY 47 2.967 -0.158 4.159 355 1HA GLY 47 HA2 GLY 47 0.389 -0.685 5.157 356 2HA GLY 47 HA1 GLY 47 1.833 -0.454 6.134 357 H MET 48 HN MET 48 2.190 2.261 4.883 358 HA MET 48 HA MET 48 0.571 3.698 6.798 359 1HB MET 48 HB2 MET 48 2.447 4.853 4.732 360 2HB MET 48 HB1 MET 48 1.870 5.625 6.203 361 1HG MET 48 HG2 MET 48 3.108 3.263 7.034 362 2HG MET 48 HG1 MET 48 4.160 3.941 5.794 363 1HE MET 48 HE1 MET 48 5.847 3.873 7.299 364 2HE MET 48 HE2 MET 48 5.881 4.512 8.943 365 3HE MET 48 HE3 MET 48 6.396 5.522 7.593 366 H ILE 49 HN ILE 49 0.911 3.490 3.271 367 HA ILE 49 HA ILE 49 -1.276 5.299 2.795 368 HB ILE 49 HB ILE 49 -0.032 3.425 0.783 369 1HG1 ILE 49 HG12 ILE 49 0.924 6.232 0.994 370 2HG1 ILE 49 HG11 ILE 49 1.503 5.107 2.217 371 1HG2 ILE 49 HG21 ILE 49 -0.635 5.290 -0.777 372 2HG2 ILE 49 HG22 ILE 49 -1.503 6.042 0.559 373 3HG2 ILE 49 HG23 ILE 49 -2.009 4.463 -0.043 374 1HD1 ILE 49 HD11 ILE 49 1.709 4.524 -0.717 375 2HD1 ILE 49 HD12 ILE 49 2.566 3.759 0.619 376 3HD1 ILE 49 HD13 ILE 49 2.948 5.419 0.164 377 H LEU 50 HN LEU 50 -1.358 2.434 4.156 378 HA LEU 50 HA LEU 50 -3.230 0.956 2.593 379 1HB LEU 50 HB2 LEU 50 -1.664 0.495 4.862 380 2HB LEU 50 HB1 LEU 50 -3.313 0.393 5.443 381 HG LEU 50 HG LEU 50 -2.615 -1.811 4.872 382 1HD1 LEU 50 HD11 LEU 50 -4.725 -0.495 3.425 383 2HD1 LEU 50 HD12 LEU 50 -4.682 -2.108 4.132 384 3HD1 LEU 50 HD13 LEU 50 -4.074 -1.845 2.498 385 1HD2 LEU 50 HD21 LEU 50 -2.171 -1.473 2.026 386 2HD2 LEU 50 HD22 LEU 50 -1.205 -2.322 3.231 387 3HD2 LEU 50 HD23 LEU 50 -1.002 -0.589 3.000 388 H ASP 51 HN ASP 51 -3.595 3.859 4.005 389 HA ASP 51 HA ASP 51 -6.027 3.580 5.438 390 1HB ASP 51 HB2 ASP 51 -4.171 5.604 5.034 391 2HB ASP 51 HB1 ASP 51 -5.609 6.195 4.210 392 H LEU 52 HN LEU 52 -5.206 3.927 2.072 393 HA LEU 52 HA LEU 52 -7.925 4.585 1.300 394 1HB LEU 52 HB2 LEU 52 -5.565 3.898 -0.444 395 2HB LEU 52 HB1 LEU 52 -7.071 4.617 -0.972 396 HG LEU 52 HG LEU 52 -5.580 6.405 -0.947 397 1HD1 LEU 52 HD11 LEU 52 -6.791 6.554 1.803 398 2HD1 LEU 52 HD12 LEU 52 -7.690 6.834 0.312 399 3HD1 LEU 52 HD13 LEU 52 -6.349 7.894 0.744 400 1HD2 LEU 52 HD21 LEU 52 -3.816 6.738 0.492 401 2HD2 LEU 52 HD22 LEU 52 -3.910 4.978 0.455 402 3HD2 LEU 52 HD23 LEU 52 -4.591 5.869 1.817 403 HA PRO 53 HA PRO 53 -9.177 0.254 1.396 404 1HB PRO 53 HB2 PRO 53 -11.181 1.331 -0.523 405 2HB PRO 53 HB1 PRO 53 -11.423 0.337 0.913 406 1HG PRO 53 HG2 PRO 53 -11.969 2.967 0.901 407 2HG PRO 53 HG1 PRO 53 -11.365 2.133 2.342 408 1HD PRO 53 HD2 PRO 53 -9.981 4.024 0.539 409 2HD PRO 53 HD1 PRO 53 -9.669 3.651 2.243 410 HA PRO 54 HA PRO 54 -7.689 -1.781 -2.220 411 1HB PRO 54 HB2 PRO 54 -9.974 -3.022 -3.267 412 2HB PRO 54 HB1 PRO 54 -8.872 -3.704 -2.069 413 1HG PRO 54 HG2 PRO 54 -11.489 -2.332 -1.673 414 2HG PRO 54 HG1 PRO 54 -10.791 -3.703 -0.791 415 1HD PRO 54 HD2 PRO 54 -10.818 -1.258 0.274 416 2HD PRO 54 HD1 PRO 54 -9.425 -2.333 0.504 417 H GLN 55 HN GLN 55 -10.997 -0.927 -3.244 418 HA GLN 55 HA GLN 55 -10.048 -0.069 -5.814 419 1HB GLN 55 HB2 GLN 55 -12.800 0.269 -4.621 420 2HB GLN 55 HB1 GLN 55 -12.368 0.439 -6.317 421 1HG GLN 55 HG2 GLN 55 -11.603 -1.986 -6.194 422 2HG GLN 55 HG1 GLN 55 -12.464 -2.055 -4.657 423 1HE2 GLN 55 HE21 GLN 55 -12.892 -1.190 -8.062 424 2HE2 GLN 55 HE22 GLN 55 -14.545 -1.684 -8.164 425 H GLU 56 HN GLU 56 -11.236 1.559 -2.913 426 HA GLU 56 HA GLU 56 -11.431 4.154 -3.930 427 1HB GLU 56 HB2 GLU 56 -11.638 2.883 -1.402 428 2HB GLU 56 HB1 GLU 56 -10.580 4.271 -1.210 429 1HG GLU 56 HG2 GLU 56 -12.270 5.738 -2.086 430 2HG GLU 56 HG1 GLU 56 -13.321 4.369 -2.444 431 H VAL 57 HN VAL 57 -8.617 2.315 -3.334 432 HA VAL 57 HA VAL 57 -6.913 4.648 -2.957 433 HB VAL 57 HB VAL 57 -6.404 2.580 -1.718 434 1HG1 VAL 57 HG11 VAL 57 -6.555 0.604 -2.716 435 2HG1 VAL 57 HG12 VAL 57 -5.143 1.004 -3.684 436 3HG1 VAL 57 HG13 VAL 57 -6.755 1.381 -4.283 437 1HG2 VAL 57 HG21 VAL 57 -3.973 2.475 -3.139 438 2HG2 VAL 57 HG22 VAL 57 -4.341 3.417 -1.698 439 3HG2 VAL 57 HG23 VAL 57 -4.578 4.124 -3.294 440 H PHE 58 HN PHE 58 -7.950 2.492 -5.443 441 HA PHE 58 HA PHE 58 -6.016 2.545 -7.340 442 1HB PHE 58 HB2 PHE 58 -9.000 2.760 -7.663 443 2HB PHE 58 HB1 PHE 58 -7.915 2.594 -9.037 444 HD1 PHE 58 HD1 PHE 58 -9.411 0.580 -9.432 445 HD2 PHE 58 HD2 PHE 58 -6.710 0.872 -6.159 446 HE1 PHE 58 HE1 PHE 58 -9.476 -1.861 -9.166 447 HE2 PHE 58 HE2 PHE 58 -6.775 -1.572 -5.883 448 HZ PHE 58 HZ PHE 58 -8.151 -2.929 -7.393 449 HA PRO 59 HA PRO 59 -7.655 6.817 -9.134 450 1HB PRO 59 HB2 PRO 59 -8.669 7.966 -6.588 451 2HB PRO 59 HB1 PRO 59 -9.294 8.143 -8.231 452 1HG PRO 59 HG2 PRO 59 -10.533 6.584 -6.464 453 2HG PRO 59 HG1 PRO 59 -10.404 6.110 -8.170 454 1HD PRO 59 HD2 PRO 59 -8.877 5.117 -5.803 455 2HD PRO 59 HD1 PRO 59 -9.466 4.234 -7.223 456 H LEU 60 HN LEU 60 -6.642 6.642 -5.744 457 HA LEU 60 HA LEU 60 -4.951 8.926 -5.867 458 1HB LEU 60 HB2 LEU 60 -5.733 8.367 -3.731 459 2HB LEU 60 HB1 LEU 60 -5.318 6.675 -3.923 460 HG LEU 60 HG LEU 60 -2.876 8.043 -4.088 461 1HD1 LEU 60 HD11 LEU 60 -2.793 9.693 -2.576 462 2HD1 LEU 60 HD12 LEU 60 -3.983 8.936 -1.518 463 3HD1 LEU 60 HD13 LEU 60 -4.511 9.837 -2.940 464 1HD2 LEU 60 HD21 LEU 60 -2.538 6.156 -2.949 465 2HD2 LEU 60 HD22 LEU 60 -4.211 6.091 -2.393 466 3HD2 LEU 60 HD23 LEU 60 -3.029 7.062 -1.518 467 H LEU 61 HN LEU 61 -4.275 5.426 -5.850 468 HA LEU 61 HA LEU 61 -1.496 5.687 -6.089 469 1HB LEU 61 HB2 LEU 61 -1.578 3.303 -6.910 470 2HB LEU 61 HB1 LEU 61 -2.280 3.615 -5.336 471 HG LEU 61 HG LEU 61 -4.497 3.815 -6.836 472 1HD1 LEU 61 HD11 LEU 61 -3.841 1.507 -8.265 473 2HD1 LEU 61 HD12 LEU 61 -2.543 2.655 -8.586 474 3HD1 LEU 61 HD13 LEU 61 -4.218 3.100 -8.909 475 1HD2 LEU 61 HD21 LEU 61 -3.174 1.459 -5.558 476 2HD2 LEU 61 HD22 LEU 61 -4.730 1.278 -6.370 477 3HD2 LEU 61 HD23 LEU 61 -4.567 2.391 -5.014 478 H GLU 62 HN GLU 62 -3.692 6.663 -8.368 479 HA GLU 62 HA GLU 62 -1.967 5.899 -10.614 480 1HB GLU 62 HB2 GLU 62 -4.817 6.866 -10.472 481 2HB GLU 62 HB1 GLU 62 -3.916 6.843 -11.984 482 1HG GLU 62 HG2 GLU 62 -4.241 4.402 -10.273 483 2HG GLU 62 HG1 GLU 62 -5.420 4.863 -11.501 484 H SER 63 HN SER 63 -2.518 8.455 -8.510 485 HA SER 63 HA SER 63 -1.516 10.416 -10.468 486 1HB SER 63 HB2 SER 63 -3.028 10.943 -7.897 487 2HB SER 63 HB1 SER 63 -2.491 12.164 -9.051 488 HG SER 63 HG SER 63 -4.101 10.063 -9.971 489 H ASP 64 HN ASP 64 0.501 11.090 -10.211 490 HA ASP 64 HA ASP 64 2.191 10.152 -8.176 491 1HB ASP 64 HB2 ASP 64 3.854 11.724 -9.093 492 2HB ASP 64 HB1 ASP 64 3.042 10.816 -10.366 493 H GLU 65 HN GLU 65 0.614 13.292 -8.622 494 HA GLU 65 HA GLU 65 1.809 14.664 -6.517 495 1HB GLU 65 HB2 GLU 65 -0.514 15.003 -8.228 496 2HB GLU 65 HB1 GLU 65 -0.802 15.625 -6.609 497 1HG GLU 65 HG2 GLU 65 0.896 17.197 -6.774 498 2HG GLU 65 HG1 GLU 65 1.690 16.343 -8.096 499 H LEU 66 HN LEU 66 -1.234 12.805 -6.504 500 HA LEU 66 HA LEU 66 -1.814 13.210 -3.787 501 1HB LEU 66 HB2 LEU 66 -2.854 11.624 -5.966 502 2HB LEU 66 HB1 LEU 66 -2.859 10.700 -4.475 503 HG LEU 66 HG LEU 66 -4.211 13.357 -4.951 504 1HD1 LEU 66 HD11 LEU 66 -5.129 10.528 -4.765 505 2HD1 LEU 66 HD12 LEU 66 -5.638 11.810 -5.866 506 3HD1 LEU 66 HD13 LEU 66 -6.184 11.819 -4.189 507 1HD2 LEU 66 HD21 LEU 66 -3.727 11.785 -2.448 508 2HD2 LEU 66 HD22 LEU 66 -5.144 12.821 -2.611 509 3HD2 LEU 66 HD23 LEU 66 -3.528 13.514 -2.734 510 H PHE 67 HN PHE 67 0.315 10.962 -5.401 511 HA PHE 67 HA PHE 67 0.601 9.165 -3.208 512 1HB PHE 67 HB2 PHE 67 1.301 8.942 -5.778 513 2HB PHE 67 HB1 PHE 67 2.846 9.501 -5.139 514 HD1 PHE 67 HD1 PHE 67 4.356 7.885 -4.435 515 HD2 PHE 67 HD2 PHE 67 0.186 7.030 -4.336 516 HE1 PHE 67 HE1 PHE 67 4.844 5.601 -3.660 517 HE2 PHE 67 HE2 PHE 67 0.678 4.755 -3.568 518 HZ PHE 67 HZ PHE 67 2.988 4.033 -3.223 519 H GLU 68 HN GLU 68 2.744 11.697 -4.497 520 HA GLU 68 HA GLU 68 4.790 11.633 -2.721 521 1HB GLU 68 HB2 GLU 68 3.451 13.892 -4.149 522 2HB GLU 68 HB1 GLU 68 4.741 14.239 -3.003 523 1HG GLU 68 HG2 GLU 68 6.350 13.387 -4.339 524 2HG GLU 68 HG1 GLU 68 5.294 12.139 -5.000 525 H GLN 69 HN GLN 69 1.680 13.272 -2.190 526 HA GLN 69 HA GLN 69 2.302 14.430 0.286 527 1HB GLN 69 HB2 GLN 69 -0.425 13.428 -0.538 528 2HB GLN 69 HB1 GLN 69 -0.062 14.718 0.599 529 1HG GLN 69 HG2 GLN 69 0.600 14.822 -2.332 530 2HG GLN 69 HG1 GLN 69 -0.866 15.488 -1.621 531 1HE2 GLN 69 HE21 GLN 69 0.603 17.189 -2.984 532 2HE2 GLN 69 HE22 GLN 69 1.482 18.259 -1.953 533 H HIS 70 HN HIS 70 0.357 11.506 -0.278 534 HA HIS 70 HA HIS 70 0.358 10.695 2.422 535 1HB HIS 70 HB2 HIS 70 -0.468 9.530 -0.150 536 2HB HIS 70 HB1 HIS 70 0.014 8.339 1.054 537 HD2 HIS 70 HD2 HIS 70 -3.032 10.397 0.120 538 HE1 HIS 70 HE1 HIS 70 -3.675 9.052 4.094 539 HE2 HIS 70 HE2 HIS 70 -4.671 10.256 2.117 540 H TYR 71 HN TYR 71 2.306 9.556 -0.333 541 HA TYR 71 HA TYR 71 3.922 7.795 1.156 542 1HB TYR 71 HB2 TYR 71 3.984 7.334 -1.100 543 2HB TYR 71 HB1 TYR 71 4.036 9.027 -1.559 544 HD1 TYR 71 HD1 TYR 71 6.029 9.937 -2.308 545 HD2 TYR 71 HD2 TYR 71 6.140 6.394 0.038 546 HE1 TYR 71 HE1 TYR 71 8.445 9.745 -2.717 547 HE2 TYR 71 HE2 TYR 71 8.552 6.197 -0.359 548 HH TYR 71 HH TYR 71 10.200 8.145 -2.676 549 H LYS 72 HN LYS 72 3.857 11.191 1.111 550 HA LYS 72 HA LYS 72 6.591 11.803 1.427 551 1HB LYS 72 HB2 LYS 72 4.140 13.227 1.501 552 2HB LYS 72 HB1 LYS 72 4.979 13.580 3.002 553 1HG LYS 72 HG2 LYS 72 6.996 14.154 1.608 554 2HG LYS 72 HG1 LYS 72 5.944 14.047 0.195 555 1HD LYS 72 HD2 LYS 72 5.280 15.794 2.549 556 2HD LYS 72 HD1 LYS 72 6.297 16.361 1.222 557 1HE LYS 72 HE2 LYS 72 4.267 15.396 -0.208 558 2HE LYS 72 HE1 LYS 72 3.392 15.761 1.278 559 1HZ LYS 72 HZ1 LYS 72 3.813 18.002 1.079 560 2HZ LYS 72 HZ2 LYS 72 3.609 17.559 -0.540 561 3HZ LYS 72 HZ3 LYS 72 5.164 17.788 0.083 562 H GLU 73 HN GLU 73 4.066 11.684 3.947 563 HA GLU 73 HA GLU 73 5.765 11.767 6.139 564 1HB GLU 73 HB2 GLU 73 2.999 11.350 5.677 565 2HB GLU 73 HB1 GLU 73 3.539 10.062 6.742 566 1HG GLU 73 HG2 GLU 73 4.485 12.742 7.468 567 2HG GLU 73 HG1 GLU 73 2.740 12.508 7.564 568 H ALA 74 HN ALA 74 4.567 8.945 4.356 569 HA ALA 74 HA ALA 74 5.830 7.021 6.015 570 1HB ALA 74 HB1 ALA 74 4.071 6.973 3.842 571 2HB ALA 74 HB2 ALA 74 4.651 5.598 4.783 572 3HB ALA 74 HB3 ALA 74 5.502 6.089 3.320 573 H SER 75 HN SER 75 6.858 8.881 3.232 574 HA SER 75 HA SER 75 9.091 7.396 2.454 575 1HB SER 75 HB2 SER 75 8.331 9.221 1.066 576 2HB SER 75 HB1 SER 75 8.611 10.386 2.359 577 HG SER 75 HG SER 75 10.272 10.021 0.567 578 H ALA 76 HN ALA 76 8.905 10.148 4.703 579 HA ALA 76 HA ALA 76 11.517 10.295 5.535 580 1HB ALA 76 HB1 ALA 76 10.002 10.622 7.881 581 2HB ALA 76 HB2 ALA 76 8.975 11.155 6.552 582 3HB ALA 76 HB3 ALA 76 10.568 11.877 6.778 583 H ALA 77 HN ALA 77 9.058 7.986 6.504 584 HA ALA 77 HA ALA 77 10.684 6.714 8.511 585 1HB ALA 77 HB1 ALA 77 8.036 6.767 8.089 586 2HB ALA 77 HB2 ALA 77 8.842 5.504 9.019 587 3HB ALA 77 HB3 ALA 77 8.427 5.227 7.326 588 H TYR 78 HN TYR 78 10.265 6.469 5.119 589 HA TYR 78 HA TYR 78 10.978 3.863 4.509 590 1HB TYR 78 HB2 TYR 78 10.315 5.808 2.950 591 2HB TYR 78 HB1 TYR 78 12.012 6.255 2.986 592 HD1 TYR 78 HD1 TYR 78 10.208 5.403 0.604 593 HD2 TYR 78 HD2 TYR 78 13.036 3.310 2.996 594 HE1 TYR 78 HE1 TYR 78 10.638 3.857 -1.265 595 HE2 TYR 78 HE2 TYR 78 13.477 1.767 1.149 596 HH TYR 78 HH TYR 78 12.076 0.975 -0.977 597 H GLU 79 HN GLU 79 13.099 6.684 4.885 598 HA GLU 79 HA GLU 79 15.525 5.263 4.662 599 1HB GLU 79 HB2 GLU 79 14.766 7.973 5.695 600 2HB GLU 79 HB1 GLU 79 16.410 7.385 5.889 601 1HG GLU 79 HG2 GLU 79 16.126 6.899 3.293 602 2HG GLU 79 HG1 GLU 79 14.959 8.210 3.445 603 H SER 80 HN SER 80 13.632 6.298 7.476 604 HA SER 80 HA SER 80 15.439 5.609 9.454 605 1HB SER 80 HB2 SER 80 12.777 6.501 9.352 606 2HB SER 80 HB1 SER 80 12.745 5.020 10.307 607 HG SER 80 HG SER 80 14.010 7.455 10.823 608 H PHE 81 HN PHE 81 12.774 3.649 8.148 609 HA PHE 81 HA PHE 81 13.429 1.342 9.632 610 1HB PHE 81 HB2 PHE 81 11.727 1.858 7.217 611 2HB PHE 81 HB1 PHE 81 12.024 0.209 7.758 612 HD1 PHE 81 HD1 PHE 81 9.992 3.078 8.137 613 HD2 PHE 81 HD2 PHE 81 11.505 -0.298 10.240 614 HE1 PHE 81 HE1 PHE 81 8.184 3.304 9.792 615 HE2 PHE 81 HE2 PHE 81 9.699 -0.079 11.899 616 HZ PHE 81 HZ PHE 81 8.036 1.724 11.676 617 H LYS 82 HN LYS 82 13.994 2.152 6.206 618 HA LYS 82 HA LYS 82 15.419 -0.107 5.482 619 1HB LYS 82 HB2 LYS 82 15.342 2.699 4.493 620 2HB LYS 82 HB1 LYS 82 16.631 1.658 3.912 621 1HG LYS 82 HG2 LYS 82 13.687 1.044 3.709 622 2HG LYS 82 HG1 LYS 82 14.692 1.698 2.415 623 1HD LYS 82 HD2 LYS 82 15.286 -0.908 3.802 624 2HD LYS 82 HD1 LYS 82 14.313 -0.794 2.339 625 1HE LYS 82 HE2 LYS 82 16.375 -1.200 1.433 626 2HE LYS 82 HE1 LYS 82 16.378 0.562 1.454 627 1HZ LYS 82 HZ1 LYS 82 18.100 0.570 2.828 628 2HZ LYS 82 HZ2 LYS 82 18.239 -1.099 2.600 629 3HZ LYS 82 HZ3 LYS 82 17.352 -0.497 3.907 630 H LYS 83 HN LYS 83 16.660 2.952 6.804 631 HA LYS 83 HA LYS 83 19.378 2.196 6.787 632 1HB LYS 83 HB2 LYS 83 17.853 4.289 8.322 633 2HB LYS 83 HB1 LYS 83 19.581 4.051 8.540 634 1HG LYS 83 HG2 LYS 83 19.554 4.263 5.894 635 2HG LYS 83 HG1 LYS 83 18.100 5.197 6.249 636 1HD LYS 83 HD2 LYS 83 19.911 6.733 6.207 637 2HD LYS 83 HD1 LYS 83 19.471 6.510 7.900 638 1HE LYS 83 HE2 LYS 83 21.514 4.654 6.886 639 2HE LYS 83 HE1 LYS 83 22.002 6.348 6.925 640 1HZ LYS 83 HZ1 LYS 83 22.058 4.616 9.026 641 2HZ LYS 83 HZ2 LYS 83 20.670 5.532 9.326 642 3HZ LYS 83 HZ3 LYS 83 22.164 6.301 9.129 643 H GLU 84 HN GLU 84 17.007 2.274 9.451 644 HA GLU 84 HA GLU 84 18.839 0.882 11.204 645 1HB GLU 84 HB2 GLU 84 16.494 2.488 11.521 646 2HB GLU 84 HB1 GLU 84 16.229 0.950 12.326 647 1HG GLU 84 HG2 GLU 84 17.486 1.577 14.026 648 2HG GLU 84 HG1 GLU 84 18.847 1.895 12.953 649 H GLN 85 HN GLN 85 18.529 -0.740 9.106 650 HA GLN 85 HA GLN 85 16.429 -2.676 9.647 651 1HB GLN 85 HB2 GLN 85 18.388 -2.203 7.456 652 2HB GLN 85 HB1 GLN 85 17.833 -3.854 7.700 653 1HG GLN 85 HG2 GLN 85 15.835 -1.657 7.520 654 2HG GLN 85 HG1 GLN 85 16.597 -2.252 6.051 655 1HE2 GLN 85 HE21 GLN 85 14.266 -2.818 8.472 656 2HE2 GLN 85 HE22 GLN 85 13.686 -4.339 7.887 657 H GLU 86 HN GLU 86 16.744 -4.148 11.185 658 HA GLU 86 HA GLU 86 19.386 -4.823 12.101 659 1HB GLU 86 HB2 GLU 86 16.614 -5.332 12.985 660 2HB GLU 86 HB1 GLU 86 17.777 -6.587 13.389 661 1HG GLU 86 HG2 GLU 86 19.175 -4.943 14.518 662 2HG GLU 86 HG1 GLU 86 18.031 -3.671 14.092 663 H GLN 87 HN GLN 87 17.110 -6.114 9.875 664 HA GLN 87 HA GLN 87 18.314 -8.755 9.858 665 1HB GLN 87 HB2 GLN 87 15.965 -7.488 8.510 666 2HB GLN 87 HB1 GLN 87 16.655 -8.956 7.830 667 1HG GLN 87 HG2 GLN 87 15.220 -9.985 9.195 668 2HG GLN 87 HG1 GLN 87 16.435 -9.659 10.430 669 1HE2 GLN 87 HE21 GLN 87 16.014 -8.200 12.018 670 2HE2 GLN 87 HE22 GLN 87 14.483 -7.425 12.229 671 H GLN 88 HN GLN 88 17.451 -6.700 7.093 672 HA GLN 88 HA GLN 88 19.727 -7.651 5.615 673 1HB GLN 88 HB2 GLN 88 17.494 -7.179 4.587 674 2HB GLN 88 HB1 GLN 88 17.783 -5.466 4.861 675 1HG GLN 88 HG2 GLN 88 18.333 -5.883 2.612 676 2HG GLN 88 HG1 GLN 88 19.863 -5.708 3.470 677 1HE2 GLN 88 HE21 GLN 88 17.624 -8.014 2.070 678 2HE2 GLN 88 HE22 GLN 88 18.777 -9.278 1.837 679 H THR 89 HN THR 89 21.693 -6.806 5.685 680 HA THR 89 HA THR 89 22.002 -4.029 6.583 681 HB THR 89 HB THR 89 24.396 -4.803 7.071 682 HG1 THR 89 HG1 THR 89 23.990 -6.807 5.779 683 1HG2 THR 89 HG21 THR 89 23.298 -6.464 8.966 684 2HG2 THR 89 HG22 THR 89 21.991 -5.342 8.583 685 3HG2 THR 89 HG23 THR 89 23.557 -4.725 9.115 686 H GLU 90 HN GLU 90 24.816 -4.042 5.658 687 HA GLU 90 HA GLU 90 24.277 -3.286 2.912 688 1HB GLU 90 HB2 GLU 90 26.719 -2.985 4.663 689 2HB GLU 90 HB1 GLU 90 26.656 -2.459 2.988 690 1HG GLU 90 HG2 GLU 90 24.682 -1.029 3.643 691 2HG GLU 90 HG1 GLU 90 25.082 -1.408 5.318 692 H GLN 91 HN GLN 91 26.032 -3.837 1.263 693 HA GLN 91 HA GLN 91 26.151 -6.677 1.036 694 1HB GLN 91 HB2 GLN 91 26.143 -4.661 -0.768 695 2HB GLN 91 HB1 GLN 91 27.859 -5.045 -0.744 696 1HG GLN 91 HG2 GLN 91 25.588 -6.905 -1.391 697 2HG GLN 91 HG1 GLN 91 26.818 -6.286 -2.494 698 1HE2 GLN 91 HE21 GLN 91 28.973 -7.014 -2.252 699 2HE2 GLN 91 HE22 GLN 91 29.317 -8.534 -1.506 700 H ALA 92 HN ALA 92 28.862 -4.369 0.791 701 HA ALA 92 HA ALA 92 30.595 -6.421 1.965 702 1HB ALA 92 HB1 ALA 92 31.843 -3.979 0.917 703 2HB ALA 92 HB2 ALA 92 30.953 -4.931 -0.270 704 3HB ALA 92 HB3 ALA 92 32.257 -5.672 0.655 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -29.347 7.225 -15.049 2 2H GLY 1 HT2 GLY 1 -28.310 5.941 -15.423 3 3H GLY 1 HT3 GLY 1 -28.256 7.364 -16.334 4 1HA GLY 1 HA1 GLY 1 -26.508 7.843 -15.024 5 2HA GLY 1 HA2 GLY 1 -27.784 8.396 -13.951 6 HA PRO 2 HA PRO 2 -24.981 5.326 -11.732 7 1HB PRO 2 HB2 PRO 2 -25.519 7.293 -9.575 8 2HB PRO 2 HB1 PRO 2 -24.001 6.521 -10.042 9 1HG PRO 2 HG2 PRO 2 -24.468 9.080 -10.626 10 2HG PRO 2 HG1 PRO 2 -23.610 8.023 -11.763 11 1HD PRO 2 HD2 PRO 2 -26.446 8.973 -11.823 12 2HD PRO 2 HD1 PRO 2 -25.303 8.748 -13.163 13 H LEU 3 HN LEU 3 -25.623 3.820 -10.199 14 HA LEU 3 HA LEU 3 -28.437 3.461 -9.909 15 1HB LEU 3 HB2 LEU 3 -26.060 1.902 -9.562 16 2HB LEU 3 HB1 LEU 3 -27.050 1.753 -8.121 17 HG LEU 3 HG LEU 3 -28.824 1.444 -10.276 18 1HD1 LEU 3 HD11 LEU 3 -26.174 0.138 -10.766 19 2HD1 LEU 3 HD12 LEU 3 -27.215 1.002 -11.897 20 3HD1 LEU 3 HD13 LEU 3 -27.672 -0.605 -11.327 21 1HD2 LEU 3 HD21 LEU 3 -27.718 -0.156 -8.068 22 2HD2 LEU 3 HD22 LEU 3 -28.409 -1.080 -9.403 23 3HD2 LEU 3 HD23 LEU 3 -29.393 0.111 -8.552 24 H GLY 4 HN GLY 4 -29.749 4.039 -8.290 25 1HA GLY 4 HA2 GLY 4 -28.581 5.500 -6.045 26 2HA GLY 4 HA1 GLY 4 -30.275 5.496 -6.511 27 H SER 5 HN SER 5 -30.413 2.585 -6.691 28 HA SER 5 HA SER 5 -30.875 2.067 -3.881 29 1HB SER 5 HB2 SER 5 -31.617 -0.232 -4.978 30 2HB SER 5 HB1 SER 5 -32.638 1.202 -5.082 31 HG SER 5 HG SER 5 -30.762 0.412 -7.058 32 HA PRO 6 HA PRO 6 -27.317 -0.382 -3.026 33 1HB PRO 6 HB2 PRO 6 -28.318 -2.457 -1.583 34 2HB PRO 6 HB1 PRO 6 -28.180 -0.816 -0.941 35 1HG PRO 6 HG2 PRO 6 -30.572 -2.209 -2.081 36 2HG PRO 6 HG1 PRO 6 -30.457 -1.183 -0.638 37 1HD PRO 6 HD2 PRO 6 -31.413 -0.267 -2.996 38 2HD PRO 6 HD1 PRO 6 -30.513 0.769 -1.869 39 H ARG 7 HN ARG 7 -26.846 -3.010 -2.809 40 HA ARG 7 HA ARG 7 -26.945 -3.898 -5.531 41 1HB ARG 7 HB2 ARG 7 -25.298 -4.379 -3.331 42 2HB ARG 7 HB1 ARG 7 -26.081 -5.923 -3.638 43 1HG ARG 7 HG2 ARG 7 -25.394 -5.414 -6.119 44 2HG ARG 7 HG1 ARG 7 -24.197 -4.377 -5.342 45 1HD ARG 7 HD2 ARG 7 -24.590 -7.337 -4.928 46 2HD ARG 7 HD1 ARG 7 -23.231 -6.544 -5.723 47 HE ARG 7 HE ARG 7 -23.803 -6.069 -2.876 48 1HH1 ARG 7 HH11 ARG 7 -21.621 -7.128 -5.398 49 2HH1 ARG 7 HH12 ARG 7 -20.257 -7.225 -4.341 50 1HH2 ARG 7 HH21 ARG 7 -22.005 -6.207 -1.492 51 2HH2 ARG 7 HH22 ARG 7 -20.473 -6.707 -2.127 52 H ASN 8 HN ASN 8 -27.650 -6.104 -6.131 53 HA ASN 8 HA ASN 8 -30.316 -6.588 -5.083 54 1HB ASN 8 HB2 ASN 8 -29.362 -6.626 -7.611 55 2HB ASN 8 HB1 ASN 8 -29.225 -8.336 -7.212 56 1HD2 ASN 8 HD21 ASN 8 -31.574 -5.733 -6.628 57 2HD2 ASN 8 HD22 ASN 8 -32.954 -6.637 -7.139 58 H ALA 9 HN ALA 9 -27.424 -8.563 -5.768 59 HA ALA 9 HA ALA 9 -28.364 -10.846 -4.387 60 1HB ALA 9 HB1 ALA 9 -25.561 -10.951 -4.412 61 2HB ALA 9 HB2 ALA 9 -26.031 -10.091 -5.879 62 3HB ALA 9 HB3 ALA 9 -26.678 -11.698 -5.555 63 H ASN 10 HN ASN 10 -27.643 -11.731 -2.397 64 HA ASN 10 HA ASN 10 -27.046 -9.681 -0.400 65 1HB ASN 10 HB2 ASN 10 -27.733 -11.380 1.249 66 2HB ASN 10 HB1 ASN 10 -28.982 -11.107 0.039 67 1HD2 ASN 10 HD21 ASN 10 -29.395 -12.698 -1.503 68 2HD2 ASN 10 HD22 ASN 10 -28.874 -14.330 -1.289 69 H ASP 11 HN ASP 11 -25.876 -12.827 -1.527 70 HA ASP 11 HA ASP 11 -23.607 -12.778 0.251 71 1HB ASP 11 HB2 ASP 11 -24.841 -14.688 -1.596 72 2HB ASP 11 HB1 ASP 11 -23.080 -14.734 -1.625 73 H ASN 12 HN ASN 12 -21.409 -13.387 -0.939 74 HA ASN 12 HA ASN 12 -20.859 -11.118 -2.686 75 1HB ASN 12 HB2 ASN 12 -18.460 -11.769 -2.303 76 2HB ASN 12 HB1 ASN 12 -19.346 -11.347 -0.840 77 1HD2 ASN 12 HD21 ASN 12 -17.126 -12.694 -0.448 78 2HD2 ASN 12 HD22 ASN 12 -17.434 -14.347 -0.049 79 H ASN 13 HN ASN 13 -21.145 -11.447 -4.792 80 HA ASN 13 HA ASN 13 -20.226 -14.002 -5.937 81 1HB ASN 13 HB2 ASN 13 -22.746 -12.590 -6.218 82 2HB ASN 13 HB1 ASN 13 -21.988 -12.865 -7.783 83 1HD2 ASN 13 HD21 ASN 13 -22.682 -14.570 -4.751 84 2HD2 ASN 13 HD22 ASN 13 -23.101 -16.072 -5.493 85 H GLN 14 HN GLN 14 -19.500 -10.783 -5.720 86 HA GLN 14 HA GLN 14 -18.701 -10.332 -8.449 87 1HB GLN 14 HB2 GLN 14 -19.280 -8.666 -6.368 88 2HB GLN 14 HB1 GLN 14 -17.523 -8.623 -6.355 89 1HG GLN 14 HG2 GLN 14 -17.774 -8.193 -8.901 90 2HG GLN 14 HG1 GLN 14 -19.420 -7.730 -8.476 91 1HE2 GLN 14 HE21 GLN 14 -16.188 -7.223 -7.086 92 2HE2 GLN 14 HE22 GLN 14 -16.350 -5.513 -6.903 93 H PHE 15 HN PHE 15 -17.522 -12.541 -8.189 94 HA PHE 15 HA PHE 15 -14.868 -12.253 -7.025 95 1HB PHE 15 HB2 PHE 15 -16.579 -14.388 -7.196 96 2HB PHE 15 HB1 PHE 15 -15.456 -14.719 -8.510 97 HD1 PHE 15 HD1 PHE 15 -13.495 -15.828 -8.052 98 HD2 PHE 15 HD2 PHE 15 -15.484 -13.760 -4.911 99 HE1 PHE 15 HE1 PHE 15 -11.869 -16.725 -6.437 100 HE2 PHE 15 HE2 PHE 15 -13.862 -14.652 -3.289 101 HZ PHE 15 HZ PHE 15 -12.051 -16.136 -4.052 102 H TYR 16 HN TYR 16 -16.185 -11.303 -9.843 103 HA TYR 16 HA TYR 16 -14.007 -12.201 -11.549 104 1HB TYR 16 HB2 TYR 16 -15.301 -10.812 -13.301 105 2HB TYR 16 HB1 TYR 16 -15.988 -12.335 -12.751 106 HD1 TYR 16 HD1 TYR 16 -16.433 -8.766 -12.972 107 HD2 TYR 16 HD2 TYR 16 -17.844 -12.302 -11.086 108 HE1 TYR 16 HE1 TYR 16 -18.505 -7.601 -12.352 109 HE2 TYR 16 HE2 TYR 16 -19.919 -11.151 -10.459 110 HH TYR 16 HH TYR 16 -20.670 -8.765 -10.085 111 H GLN 17 HN GLN 17 -15.128 -9.373 -9.881 112 HA GLN 17 HA GLN 17 -13.179 -7.661 -11.202 113 1HB GLN 17 HB2 GLN 17 -15.270 -7.108 -9.094 114 2HB GLN 17 HB1 GLN 17 -14.153 -5.891 -9.698 115 1HG GLN 17 HG2 GLN 17 -15.216 -6.909 -12.005 116 2HG GLN 17 HG1 GLN 17 -16.582 -6.969 -10.893 117 1HE2 GLN 17 HE21 GLN 17 -13.904 -4.721 -11.544 118 2HE2 GLN 17 HE22 GLN 17 -14.896 -3.310 -11.655 119 H GLN 18 HN GLN 18 -12.635 -9.966 -9.200 120 HA GLN 18 HA GLN 18 -11.471 -8.742 -6.910 121 1HB GLN 18 HB2 GLN 18 -11.518 -11.469 -8.095 122 2HB GLN 18 HB1 GLN 18 -10.216 -11.104 -6.970 123 1HG GLN 18 HG2 GLN 18 -12.801 -10.247 -5.976 124 2HG GLN 18 HG1 GLN 18 -12.752 -11.973 -6.326 125 1HE2 GLN 18 HE21 GLN 18 -12.769 -10.293 -3.799 126 2HE2 GLN 18 HE22 GLN 18 -11.482 -10.952 -2.853 127 H LYS 19 HN LYS 19 -10.132 -10.041 -9.939 128 HA LYS 19 HA LYS 19 -7.443 -9.587 -9.386 129 1HB LYS 19 HB2 LYS 19 -9.038 -10.215 -11.717 130 2HB LYS 19 HB1 LYS 19 -7.733 -9.111 -12.130 131 1HG LYS 19 HG2 LYS 19 -6.219 -10.749 -10.856 132 2HG LYS 19 HG1 LYS 19 -7.566 -11.878 -10.998 133 1HD LYS 19 HD2 LYS 19 -6.979 -10.570 -13.520 134 2HD LYS 19 HD1 LYS 19 -5.575 -11.424 -12.879 135 1HE LYS 19 HE2 LYS 19 -6.945 -12.850 -14.338 136 2HE LYS 19 HE1 LYS 19 -6.864 -13.466 -12.688 137 1HZ LYS 19 HZ1 LYS 19 -9.105 -13.606 -13.504 138 2HZ LYS 19 HZ2 LYS 19 -9.121 -11.962 -13.899 139 3HZ LYS 19 HZ3 LYS 19 -9.043 -12.440 -12.278 140 H GLN 20 HN GLN 20 -9.957 -7.395 -10.284 141 HA GLN 20 HA GLN 20 -8.302 -5.242 -11.137 142 1HB GLN 20 HB2 GLN 20 -11.166 -5.635 -10.501 143 2HB GLN 20 HB1 GLN 20 -10.561 -3.997 -10.305 144 1HG GLN 20 HG2 GLN 20 -9.755 -5.266 -12.810 145 2HG GLN 20 HG1 GLN 20 -11.497 -5.069 -12.624 146 1HE2 GLN 20 HE21 GLN 20 -9.607 -3.746 -14.436 147 2HE2 GLN 20 HE22 GLN 20 -9.784 -2.052 -14.147 148 H ARG 21 HN ARG 21 -9.970 -5.979 -8.096 149 HA ARG 21 HA ARG 21 -9.400 -3.812 -6.551 150 1HB ARG 21 HB2 ARG 21 -10.403 -6.291 -6.076 151 2HB ARG 21 HB1 ARG 21 -8.884 -6.369 -5.193 152 1HG ARG 21 HG2 ARG 21 -9.505 -4.751 -3.703 153 2HG ARG 21 HG1 ARG 21 -10.629 -3.988 -4.827 154 1HD ARG 21 HD2 ARG 21 -12.041 -6.080 -4.599 155 2HD ARG 21 HD1 ARG 21 -11.002 -6.515 -3.243 156 HE ARG 21 HE ARG 21 -11.737 -4.105 -2.480 157 1HH1 ARG 21 HH11 ARG 21 -13.692 -6.635 -3.890 158 2HH1 ARG 21 HH12 ARG 21 -15.147 -6.105 -3.117 159 1HH2 ARG 21 HH21 ARG 21 -13.651 -3.424 -1.459 160 2HH2 ARG 21 HH22 ARG 21 -15.124 -4.289 -1.738 161 H GLN 22 HN GLN 22 -7.304 -6.706 -6.655 162 HA GLN 22 HA GLN 22 -5.161 -5.391 -5.315 163 1HB GLN 22 HB2 GLN 22 -5.168 -7.968 -6.895 164 2HB GLN 22 HB1 GLN 22 -3.867 -7.424 -5.845 165 1HG GLN 22 HG2 GLN 22 -6.383 -7.432 -4.443 166 2HG GLN 22 HG1 GLN 22 -6.051 -9.008 -5.158 167 1HE2 GLN 22 HE21 GLN 22 -5.550 -7.066 -2.520 168 2HE2 GLN 22 HE22 GLN 22 -4.205 -7.892 -1.817 169 H ALA 23 HN ALA 23 -6.161 -5.524 -8.597 170 HA ALA 23 HA ALA 23 -3.758 -5.316 -9.979 171 1HB ALA 23 HB1 ALA 23 -6.112 -5.495 -10.930 172 2HB ALA 23 HB2 ALA 23 -4.975 -4.471 -11.800 173 3HB ALA 23 HB3 ALA 23 -6.196 -3.744 -10.757 174 H LEU 24 HN LEU 24 -5.853 -2.517 -9.278 175 HA LEU 24 HA LEU 24 -3.763 -0.658 -9.687 176 1HB LEU 24 HB2 LEU 24 -6.580 -0.579 -8.803 177 2HB LEU 24 HB1 LEU 24 -5.587 0.783 -8.331 178 HG LEU 24 HG LEU 24 -6.738 1.303 -10.385 179 1HD1 LEU 24 HD11 LEU 24 -3.897 1.275 -10.131 180 2HD1 LEU 24 HD12 LEU 24 -4.927 2.425 -10.984 181 3HD1 LEU 24 HD13 LEU 24 -4.326 0.993 -11.818 182 1HD2 LEU 24 HD21 LEU 24 -7.212 -0.906 -11.187 183 2HD2 LEU 24 HD22 LEU 24 -5.495 -1.238 -11.423 184 3HD2 LEU 24 HD23 LEU 24 -6.310 -0.039 -12.431 185 H GLY 25 HN GLY 25 -5.040 -2.284 -6.834 186 1HA GLY 25 HA2 GLY 25 -3.834 -0.661 -4.875 187 2HA GLY 25 HA1 GLY 25 -4.242 -2.361 -4.672 188 H GLU 26 HN GLU 26 -2.619 -3.404 -6.744 189 HA GLU 26 HA GLU 26 -0.185 -3.772 -5.418 190 1HB GLU 26 HB2 GLU 26 -1.383 -4.636 -7.901 191 2HB GLU 26 HB1 GLU 26 0.307 -4.229 -8.157 192 1HG GLU 26 HG2 GLU 26 -0.022 -5.786 -5.757 193 2HG GLU 26 HG1 GLU 26 -0.724 -6.609 -7.148 194 H GLN 27 HN GLN 27 -1.231 -1.385 -7.757 195 HA GLN 27 HA GLN 27 1.265 -0.397 -8.541 196 1HB GLN 27 HB2 GLN 27 -1.468 0.804 -8.397 197 2HB GLN 27 HB1 GLN 27 -0.094 1.834 -8.760 198 1HG GLN 27 HG2 GLN 27 0.172 -0.382 -10.436 199 2HG GLN 27 HG1 GLN 27 -1.541 0.034 -10.469 200 1HE2 GLN 27 HE21 GLN 27 -1.977 1.250 -12.155 201 2HE2 GLN 27 HE22 GLN 27 -1.003 2.540 -12.767 202 H LEU 28 HN LEU 28 -0.654 0.124 -5.663 203 HA LEU 28 HA LEU 28 0.614 2.385 -4.620 204 1HB LEU 28 HB2 LEU 28 -1.449 1.031 -3.766 205 2HB LEU 28 HB1 LEU 28 -0.264 0.116 -2.858 206 HG LEU 28 HG LEU 28 0.470 2.530 -2.038 207 1HD1 LEU 28 HD11 LEU 28 -0.871 4.191 -2.623 208 2HD1 LEU 28 HD12 LEU 28 -2.212 3.387 -1.810 209 3HD1 LEU 28 HD13 LEU 28 -1.901 3.072 -3.516 210 1HD2 LEU 28 HD21 LEU 28 -0.151 1.504 -0.163 211 2HD2 LEU 28 HD22 LEU 28 -1.286 0.477 -1.039 212 3HD2 LEU 28 HD23 LEU 28 -1.800 2.063 -0.452 213 H TYR 29 HN TYR 29 1.454 -1.035 -4.451 214 HA TYR 29 HA TYR 29 3.730 -0.639 -2.748 215 1HB TYR 29 HB2 TYR 29 2.559 -2.771 -2.742 216 2HB TYR 29 HB1 TYR 29 2.923 -3.006 -4.447 217 HD1 TYR 29 HD1 TYR 29 4.992 -2.049 -1.472 218 HD2 TYR 29 HD2 TYR 29 4.440 -4.713 -4.742 219 HE1 TYR 29 HE1 TYR 29 7.071 -3.221 -0.862 220 HE2 TYR 29 HE2 TYR 29 6.515 -5.890 -4.142 221 HH TYR 29 HH TYR 29 7.884 -5.982 -1.498 222 H LYS 30 HN LYS 30 3.366 -1.292 -6.246 223 HA LYS 30 HA LYS 30 6.122 -1.358 -6.791 224 1HB LYS 30 HB2 LYS 30 5.561 -1.265 -9.094 225 2HB LYS 30 HB1 LYS 30 4.276 -2.171 -8.305 226 1HG LYS 30 HG2 LYS 30 2.907 -0.109 -8.282 227 2HG LYS 30 HG1 LYS 30 4.174 0.698 -9.203 228 1HD LYS 30 HD2 LYS 30 3.617 -1.723 -10.542 229 2HD LYS 30 HD1 LYS 30 2.060 -0.994 -10.146 230 1HE LYS 30 HE2 LYS 30 2.929 1.149 -11.127 231 2HE LYS 30 HE1 LYS 30 4.330 0.241 -11.694 232 1HZ LYS 30 HZ1 LYS 30 1.496 -0.206 -12.457 233 2HZ LYS 30 HZ2 LYS 30 2.773 -1.216 -12.914 234 3HZ LYS 30 HZ3 LYS 30 2.734 0.387 -13.448 235 H LYS 31 HN LYS 31 3.829 1.315 -6.682 236 HA LYS 31 HA LYS 31 5.453 3.283 -7.858 237 1HB LYS 31 HB2 LYS 31 2.927 3.326 -7.144 238 2HB LYS 31 HB1 LYS 31 3.565 3.959 -5.634 239 1HG LYS 31 HG2 LYS 31 3.662 5.983 -6.517 240 2HG LYS 31 HG1 LYS 31 4.789 5.397 -7.744 241 1HD LYS 31 HD2 LYS 31 2.443 4.483 -8.740 242 2HD LYS 31 HD1 LYS 31 1.901 5.955 -7.929 243 1HE LYS 31 HE2 LYS 31 2.473 6.909 -9.892 244 2HE LYS 31 HE1 LYS 31 4.084 6.902 -9.171 245 1HZ LYS 31 HZ1 LYS 31 4.133 4.531 -10.274 246 2HZ LYS 31 HZ2 LYS 31 4.530 5.918 -11.155 247 3HZ LYS 31 HZ3 LYS 31 2.992 5.232 -11.309 248 H VAL 32 HN VAL 32 5.208 2.113 -4.549 249 HA VAL 32 HA VAL 32 7.090 4.061 -3.526 250 HB VAL 32 HB VAL 32 6.969 2.744 -1.438 251 1HG1 VAL 32 HG11 VAL 32 4.576 3.870 -2.781 252 2HG1 VAL 32 HG12 VAL 32 5.441 4.439 -1.355 253 3HG1 VAL 32 HG13 VAL 32 4.352 3.057 -1.233 254 1HG2 VAL 32 HG21 VAL 32 4.901 1.076 -2.840 255 2HG2 VAL 32 HG22 VAL 32 5.487 0.900 -1.185 256 3HG2 VAL 32 HG23 VAL 32 6.557 0.551 -2.538 257 H SER 33 HN SER 33 7.111 0.637 -4.442 258 HA SER 33 HA SER 33 9.841 0.253 -3.677 259 1HB SER 33 HB2 SER 33 9.586 -1.944 -4.410 260 2HB SER 33 HB1 SER 33 7.935 -1.515 -3.963 261 HG SER 33 HG SER 33 8.255 -2.549 -6.083 262 H ALA 34 HN ALA 34 8.729 2.236 -5.927 263 HA ALA 34 HA ALA 34 10.019 1.518 -8.316 264 1HB ALA 34 HB1 ALA 34 9.178 4.202 -7.242 265 2HB ALA 34 HB2 ALA 34 8.303 3.167 -8.372 266 3HB ALA 34 HB3 ALA 34 9.804 3.947 -8.872 267 H LYS 35 HN LYS 35 11.417 2.222 -5.382 268 HA LYS 35 HA LYS 35 13.785 3.460 -6.595 269 1HB LYS 35 HB2 LYS 35 12.477 4.160 -4.332 270 2HB LYS 35 HB1 LYS 35 13.675 3.058 -3.668 271 1HG LYS 35 HG2 LYS 35 14.970 4.874 -3.573 272 2HG LYS 35 HG1 LYS 35 15.216 4.581 -5.294 273 1HD LYS 35 HD2 LYS 35 13.247 6.062 -5.739 274 2HD LYS 35 HD1 LYS 35 13.237 6.464 -4.021 275 1HE LYS 35 HE2 LYS 35 15.551 6.902 -5.907 276 2HE LYS 35 HE1 LYS 35 14.419 8.145 -5.378 277 1HZ LYS 35 HZ1 LYS 35 15.227 8.060 -3.209 278 2HZ LYS 35 HZ2 LYS 35 16.626 7.961 -4.155 279 3HZ LYS 35 HZ3 LYS 35 15.993 6.568 -3.436 280 H THR 36 HN THR 36 12.608 0.495 -5.302 281 HA THR 36 HA THR 36 14.827 -0.989 -6.112 282 HB THR 36 HB THR 36 16.022 0.083 -4.282 283 HG1 THR 36 HG1 THR 36 16.853 -1.740 -3.493 284 1HG2 THR 36 HG21 THR 36 15.326 -0.609 -1.917 285 2HG2 THR 36 HG22 THR 36 13.725 -0.859 -2.620 286 3HG2 THR 36 HG23 THR 36 14.478 0.734 -2.684 287 H SER 37 HN SER 37 14.793 -3.264 -5.139 288 HA SER 37 HA SER 37 11.996 -4.093 -4.960 289 1HB SER 37 HB2 SER 37 14.340 -5.970 -5.147 290 2HB SER 37 HB1 SER 37 12.680 -6.214 -5.697 291 HG SER 37 HG SER 37 14.293 -5.737 -7.363 292 H ASN 38 HN ASN 38 13.205 -2.831 -2.721 293 HA ASN 38 HA ASN 38 13.883 -4.834 -0.767 294 1HB ASN 38 HB2 ASN 38 14.620 -2.325 -0.903 295 2HB ASN 38 HB1 ASN 38 13.105 -2.032 -0.064 296 1HD2 ASN 38 HD21 ASN 38 15.468 -1.350 1.089 297 2HD2 ASN 38 HD22 ASN 38 15.795 -2.391 2.430 298 H GLU 39 HN GLU 39 12.222 -6.222 -0.379 299 HA GLU 39 HA GLU 39 9.503 -5.598 -0.350 300 1HB GLU 39 HB2 GLU 39 11.171 -7.862 0.489 301 2HB GLU 39 HB1 GLU 39 9.666 -7.712 1.385 302 1HG GLU 39 HG2 GLU 39 8.369 -8.130 -0.442 303 2HG GLU 39 HG1 GLU 39 9.573 -7.521 -1.576 304 H GLU 40 HN GLU 40 11.915 -5.269 2.153 305 HA GLU 40 HA GLU 40 9.976 -4.876 4.250 306 1HB GLU 40 HB2 GLU 40 12.969 -4.650 4.089 307 2HB GLU 40 HB1 GLU 40 12.098 -4.043 5.491 308 1HG GLU 40 HG2 GLU 40 11.042 -6.542 5.212 309 2HG GLU 40 HG1 GLU 40 12.710 -6.788 4.696 310 H ALA 41 HN ALA 41 11.612 -2.932 1.921 311 HA ALA 41 HA ALA 41 11.223 -0.433 3.290 312 1HB ALA 41 HB1 ALA 41 13.026 -1.039 1.570 313 2HB ALA 41 HB2 ALA 41 12.284 0.551 1.502 314 3HB ALA 41 HB3 ALA 41 11.782 -0.694 0.369 315 H ALA 42 HN ALA 42 10.058 -1.453 0.094 316 HA ALA 42 HA ALA 42 8.036 0.453 -0.081 317 1HB ALA 42 HB1 ALA 42 8.607 -2.100 -1.527 318 2HB ALA 42 HB2 ALA 42 8.682 -0.438 -2.115 319 3HB ALA 42 HB3 ALA 42 7.118 -1.207 -1.846 320 H GLY 43 HN GLY 43 8.013 -2.831 1.204 321 1HA GLY 43 HA2 GLY 43 5.187 -3.027 1.441 322 2HA GLY 43 HA1 GLY 43 6.369 -4.026 2.277 323 H LYS 44 HN LYS 44 7.679 -1.586 3.403 324 HA LYS 44 HA LYS 44 6.110 -1.466 5.796 325 1HB LYS 44 HB2 LYS 44 8.774 -0.973 5.163 326 2HB LYS 44 HB1 LYS 44 8.142 0.607 5.596 327 1HG LYS 44 HG2 LYS 44 8.631 -0.019 7.689 328 2HG LYS 44 HG1 LYS 44 7.115 -0.911 7.591 329 1HD LYS 44 HD2 LYS 44 9.400 -2.364 6.496 330 2HD LYS 44 HD1 LYS 44 9.565 -1.983 8.209 331 1HE LYS 44 HE2 LYS 44 8.488 -4.052 8.194 332 2HE LYS 44 HE1 LYS 44 7.179 -2.898 8.436 333 1HZ LYS 44 HZ1 LYS 44 7.754 -3.503 5.671 334 2HZ LYS 44 HZ2 LYS 44 6.266 -3.408 6.471 335 3HZ LYS 44 HZ3 LYS 44 7.188 -4.823 6.567 336 H ILE 45 HN ILE 45 7.212 1.124 3.613 337 HA ILE 45 HA ILE 45 5.523 3.081 4.664 338 HB ILE 45 HB ILE 45 5.954 4.365 2.643 339 1HG1 ILE 45 HG12 ILE 45 7.271 1.850 1.624 340 2HG1 ILE 45 HG11 ILE 45 5.835 2.627 0.959 341 1HG2 ILE 45 HG21 ILE 45 8.635 3.328 2.995 342 2HG2 ILE 45 HG22 ILE 45 7.785 3.525 4.528 343 3HG2 ILE 45 HG23 ILE 45 7.964 4.898 3.437 344 1HD1 ILE 45 HD11 ILE 45 7.036 4.109 -0.197 345 2HD1 ILE 45 HD12 ILE 45 8.396 3.018 0.094 346 3HD1 ILE 45 HD13 ILE 45 8.130 4.409 1.151 347 H THR 46 HN THR 46 4.955 0.660 2.206 348 HA THR 46 HA THR 46 2.601 1.737 1.106 349 HB THR 46 HB THR 46 3.562 -1.116 1.380 350 HG1 THR 46 HG1 THR 46 3.256 0.431 -0.963 351 1HG2 THR 46 HG21 THR 46 1.405 -1.694 1.042 352 2HG2 THR 46 HG22 THR 46 1.833 -1.329 -0.630 353 3HG2 THR 46 HG23 THR 46 0.978 -0.132 0.341 354 H GLY 47 HN GLY 47 3.234 -0.120 4.021 355 1HA GLY 47 HA2 GLY 47 0.577 -0.780 4.680 356 2HA GLY 47 HA1 GLY 47 1.909 -0.631 5.823 357 H MET 48 HN MET 48 2.459 2.150 5.136 358 HA MET 48 HA MET 48 0.635 3.388 6.945 359 1HB MET 48 HB2 MET 48 3.000 4.255 5.360 360 2HB MET 48 HB1 MET 48 1.883 5.507 5.882 361 1HG MET 48 HG2 MET 48 2.372 5.217 8.096 362 2HG MET 48 HG1 MET 48 2.832 3.529 7.886 363 1HE MET 48 HE1 MET 48 5.837 3.150 8.299 364 2HE MET 48 HE2 MET 48 6.225 3.417 6.598 365 3HE MET 48 HE3 MET 48 4.702 2.648 7.045 366 H ILE 49 HN ILE 49 1.083 3.366 3.450 367 HA ILE 49 HA ILE 49 -1.096 5.210 2.991 368 HB ILE 49 HB ILE 49 0.331 3.494 0.959 369 1HG1 ILE 49 HG12 ILE 49 1.026 6.365 1.456 370 2HG1 ILE 49 HG11 ILE 49 1.731 5.120 2.482 371 1HG2 ILE 49 HG21 ILE 49 -1.678 4.406 0.062 372 2HG2 ILE 49 HG22 ILE 49 -0.342 5.370 -0.567 373 3HG2 ILE 49 HG23 ILE 49 -1.334 5.995 0.749 374 1HD1 ILE 49 HD11 ILE 49 3.276 4.753 0.952 375 2HD1 ILE 49 HD12 ILE 49 2.541 5.972 -0.092 376 3HD1 ILE 49 HD13 ILE 49 2.026 4.288 -0.202 377 H LEU 50 HN LEU 50 -1.015 2.142 4.010 378 HA LEU 50 HA LEU 50 -2.916 0.867 2.299 379 1HB LEU 50 HB2 LEU 50 -1.225 0.059 4.340 380 2HB LEU 50 HB1 LEU 50 -2.823 -0.132 5.036 381 HG LEU 50 HG LEU 50 -1.995 -2.200 3.986 382 1HD1 LEU 50 HD11 LEU 50 -4.061 -2.802 3.337 383 2HD1 LEU 50 HD12 LEU 50 -4.191 -1.485 2.168 384 3HD1 LEU 50 HD13 LEU 50 -4.496 -1.178 3.877 385 1HD2 LEU 50 HD21 LEU 50 -1.226 -0.416 1.920 386 2HD2 LEU 50 HD22 LEU 50 -2.394 -1.553 1.243 387 3HD2 LEU 50 HD23 LEU 50 -0.936 -2.151 2.037 388 H ASP 51 HN ASP 51 -3.327 3.508 4.078 389 HA ASP 51 HA ASP 51 -5.712 2.885 5.528 390 1HB ASP 51 HB2 ASP 51 -3.936 4.887 5.756 391 2HB ASP 51 HB1 ASP 51 -5.133 5.692 4.746 392 H LEU 52 HN LEU 52 -4.953 3.658 2.252 393 HA LEU 52 HA LEU 52 -7.615 4.637 1.641 394 1HB LEU 52 HB2 LEU 52 -5.285 3.935 -0.140 395 2HB LEU 52 HB1 LEU 52 -6.794 4.615 -0.712 396 HG LEU 52 HG LEU 52 -5.265 6.408 -0.631 397 1HD1 LEU 52 HD11 LEU 52 -6.357 7.944 0.683 398 2HD1 LEU 52 HD12 LEU 52 -6.583 6.808 2.014 399 3HD1 LEU 52 HD13 LEU 52 -7.564 6.664 0.556 400 1HD2 LEU 52 HD21 LEU 52 -3.607 5.229 0.805 401 2HD2 LEU 52 HD22 LEU 52 -4.571 5.685 2.209 402 3HD2 LEU 52 HD23 LEU 52 -3.832 6.933 1.202 403 HA PRO 53 HA PRO 53 -9.361 0.505 1.425 404 1HB PRO 53 HB2 PRO 53 -11.191 1.961 -0.437 405 2HB PRO 53 HB1 PRO 53 -11.582 0.860 0.887 406 1HG PRO 53 HG2 PRO 53 -11.848 3.489 1.197 407 2HG PRO 53 HG1 PRO 53 -11.233 2.475 2.516 408 1HD PRO 53 HD2 PRO 53 -9.768 4.352 0.730 409 2HD PRO 53 HD1 PRO 53 -9.452 3.920 2.421 410 HA PRO 54 HA PRO 54 -7.908 -1.522 -2.196 411 1HB PRO 54 HB2 PRO 54 -10.710 -2.361 -2.787 412 2HB PRO 54 HB1 PRO 54 -9.240 -3.332 -2.675 413 1HG PRO 54 HG2 PRO 54 -11.023 -3.332 -0.697 414 2HG PRO 54 HG1 PRO 54 -9.284 -3.384 -0.364 415 1HD PRO 54 HD2 PRO 54 -11.202 -1.123 -0.086 416 2HD PRO 54 HD1 PRO 54 -9.766 -1.512 0.882 417 H GLN 55 HN GLN 55 -11.191 -0.505 -3.160 418 HA GLN 55 HA GLN 55 -10.232 0.356 -5.731 419 1HB GLN 55 HB2 GLN 55 -12.951 0.953 -4.583 420 2HB GLN 55 HB1 GLN 55 -12.487 0.827 -6.277 421 1HG GLN 55 HG2 GLN 55 -11.837 -1.639 -5.147 422 2HG GLN 55 HG1 GLN 55 -13.409 -1.210 -4.470 423 1HE2 GLN 55 HE21 GLN 55 -14.563 -2.724 -5.588 424 2HE2 GLN 55 HE22 GLN 55 -14.801 -2.665 -7.299 425 H GLU 56 HN GLU 56 -11.341 1.930 -2.773 426 HA GLU 56 HA GLU 56 -11.397 4.570 -3.679 427 1HB GLU 56 HB2 GLU 56 -12.316 3.715 -1.510 428 2HB GLU 56 HB1 GLU 56 -10.672 3.671 -0.893 429 1HG GLU 56 HG2 GLU 56 -10.883 5.772 -0.266 430 2HG GLU 56 HG1 GLU 56 -11.040 6.239 -1.958 431 H VAL 57 HN VAL 57 -8.676 2.556 -3.179 432 HA VAL 57 HA VAL 57 -6.864 4.801 -2.755 433 HB VAL 57 HB VAL 57 -6.435 2.720 -1.527 434 1HG1 VAL 57 HG11 VAL 57 -5.829 1.471 -4.195 435 2HG1 VAL 57 HG12 VAL 57 -7.286 1.183 -3.257 436 3HG1 VAL 57 HG13 VAL 57 -5.721 0.705 -2.611 437 1HG2 VAL 57 HG21 VAL 57 -4.040 2.514 -3.039 438 2HG2 VAL 57 HG22 VAL 57 -4.309 3.360 -1.521 439 3HG2 VAL 57 HG23 VAL 57 -4.554 4.199 -3.054 440 H PHE 58 HN PHE 58 -7.958 2.686 -5.273 441 HA PHE 58 HA PHE 58 -6.060 2.682 -7.182 442 1HB PHE 58 HB2 PHE 58 -9.020 3.112 -7.477 443 2HB PHE 58 HB1 PHE 58 -7.969 2.966 -8.876 444 HD1 PHE 58 HD1 PHE 58 -9.548 1.089 -9.420 445 HD2 PHE 58 HD2 PHE 58 -6.903 1.001 -6.090 446 HE1 PHE 58 HE1 PHE 58 -9.777 -1.354 -9.313 447 HE2 PHE 58 HE2 PHE 58 -7.129 -1.448 -5.972 448 HZ PHE 58 HZ PHE 58 -8.564 -2.622 -7.591 449 HA PRO 59 HA PRO 59 -7.294 7.060 -9.004 450 1HB PRO 59 HB2 PRO 59 -8.443 8.291 -6.553 451 2HB PRO 59 HB1 PRO 59 -8.918 8.490 -8.244 452 1HG PRO 59 HG2 PRO 59 -10.388 7.022 -6.575 453 2HG PRO 59 HG1 PRO 59 -10.157 6.533 -8.265 454 1HD PRO 59 HD2 PRO 59 -8.888 5.453 -5.785 455 2HD PRO 59 HD1 PRO 59 -9.411 4.609 -7.254 456 H LEU 60 HN LEU 60 -6.272 6.521 -5.709 457 HA LEU 60 HA LEU 60 -4.595 8.856 -5.601 458 1HB LEU 60 HB2 LEU 60 -5.454 8.157 -3.528 459 2HB LEU 60 HB1 LEU 60 -5.023 6.482 -3.813 460 HG LEU 60 HG LEU 60 -2.600 7.941 -3.838 461 1HD1 LEU 60 HD11 LEU 60 -3.362 8.505 -1.179 462 2HD1 LEU 60 HD12 LEU 60 -4.517 9.281 -2.258 463 3HD1 LEU 60 HD13 LEU 60 -2.792 9.610 -2.431 464 1HD2 LEU 60 HD21 LEU 60 -2.551 6.680 -1.473 465 2HD2 LEU 60 HD22 LEU 60 -2.328 5.852 -3.014 466 3HD2 LEU 60 HD23 LEU 60 -3.907 5.839 -2.228 467 H LEU 61 HN LEU 61 -4.006 5.360 -5.704 468 HA LEU 61 HA LEU 61 -1.216 5.571 -5.938 469 1HB LEU 61 HB2 LEU 61 -1.386 3.168 -6.723 470 2HB LEU 61 HB1 LEU 61 -2.024 3.541 -5.138 471 HG LEU 61 HG LEU 61 -4.285 3.795 -6.523 472 1HD1 LEU 61 HD11 LEU 61 -2.441 2.368 -8.298 473 2HD1 LEU 61 HD12 LEU 61 -3.907 3.274 -8.667 474 3HD1 LEU 61 HD13 LEU 61 -4.019 1.619 -8.074 475 1HD2 LEU 61 HD21 LEU 61 -2.953 1.537 -5.181 476 2HD2 LEU 61 HD22 LEU 61 -4.374 1.147 -6.152 477 3HD2 LEU 61 HD23 LEU 61 -4.494 2.319 -4.844 478 H GLU 62 HN GLU 62 -3.478 6.427 -8.253 479 HA GLU 62 HA GLU 62 -1.726 5.616 -10.462 480 1HB GLU 62 HB2 GLU 62 -3.605 6.114 -11.942 481 2HB GLU 62 HB1 GLU 62 -4.066 4.959 -10.699 482 1HG GLU 62 HG2 GLU 62 -5.728 6.260 -10.052 483 2HG GLU 62 HG1 GLU 62 -4.612 7.595 -9.765 484 H SER 63 HN SER 63 -2.499 8.299 -8.545 485 HA SER 63 HA SER 63 -1.541 10.159 -10.612 486 1HB SER 63 HB2 SER 63 -3.688 10.346 -8.761 487 2HB SER 63 HB1 SER 63 -2.476 11.535 -8.283 488 HG SER 63 HG SER 63 -2.517 12.309 -10.446 489 H ASP 64 HN ASP 64 0.475 10.872 -10.435 490 HA ASP 64 HA ASP 64 2.235 10.090 -8.420 491 1HB ASP 64 HB2 ASP 64 2.540 12.504 -10.216 492 2HB ASP 64 HB1 ASP 64 3.830 11.608 -9.420 493 H GLU 65 HN GLU 65 0.666 13.250 -8.920 494 HA GLU 65 HA GLU 65 1.775 14.566 -6.726 495 1HB GLU 65 HB2 GLU 65 -0.844 14.930 -8.170 496 2HB GLU 65 HB1 GLU 65 -0.334 15.996 -6.868 497 1HG GLU 65 HG2 GLU 65 1.636 16.634 -8.121 498 2HG GLU 65 HG1 GLU 65 1.207 15.509 -9.409 499 H LEU 66 HN LEU 66 -1.349 12.868 -6.955 500 HA LEU 66 HA LEU 66 -2.138 13.225 -4.298 501 1HB LEU 66 HB2 LEU 66 -3.136 11.955 -6.571 502 2HB LEU 66 HB1 LEU 66 -2.976 10.669 -5.393 503 HG LEU 66 HG LEU 66 -5.197 11.527 -5.248 504 1HD1 LEU 66 HD11 LEU 66 -5.317 12.167 -2.943 505 2HD1 LEU 66 HD12 LEU 66 -3.636 12.702 -2.957 506 3HD1 LEU 66 HD13 LEU 66 -4.016 10.991 -3.134 507 1HD2 LEU 66 HD21 LEU 66 -5.807 13.712 -5.330 508 2HD2 LEU 66 HD22 LEU 66 -4.269 13.847 -6.184 509 3HD2 LEU 66 HD23 LEU 66 -4.366 14.261 -4.473 510 H PHE 67 HN PHE 67 0.005 10.915 -5.784 511 HA PHE 67 HA PHE 67 0.173 9.178 -3.511 512 1HB PHE 67 HB2 PHE 67 0.731 8.733 -6.056 513 2HB PHE 67 HB1 PHE 67 2.331 9.292 -5.577 514 HD1 PHE 67 HD1 PHE 67 3.813 7.871 -4.411 515 HD2 PHE 67 HD2 PHE 67 -0.272 6.772 -4.870 516 HE1 PHE 67 HE1 PHE 67 4.326 5.622 -3.560 517 HE2 PHE 67 HE2 PHE 67 0.237 4.520 -4.027 518 HZ PHE 67 HZ PHE 67 2.534 3.942 -3.365 519 H GLU 68 HN GLU 68 2.347 11.606 -4.947 520 HA GLU 68 HA GLU 68 4.514 11.485 -3.331 521 1HB GLU 68 HB2 GLU 68 3.106 13.965 -4.319 522 2HB GLU 68 HB1 GLU 68 4.707 13.980 -3.591 523 1HG GLU 68 HG2 GLU 68 4.843 12.035 -5.574 524 2HG GLU 68 HG1 GLU 68 3.914 13.352 -6.289 525 H GLN 69 HN GLN 69 1.536 13.267 -2.556 526 HA GLN 69 HA GLN 69 2.322 14.268 -0.070 527 1HB GLN 69 HB2 GLN 69 -0.363 13.591 -1.241 528 2HB GLN 69 HB1 GLN 69 -0.217 14.222 0.392 529 1HG GLN 69 HG2 GLN 69 1.325 15.882 -1.293 530 2HG GLN 69 HG1 GLN 69 -0.229 15.626 -2.083 531 1HE2 GLN 69 HE21 GLN 69 0.609 15.827 1.346 532 2HE2 GLN 69 HE22 GLN 69 -0.414 17.173 1.701 533 H HIS 70 HN HIS 70 0.297 11.412 -0.704 534 HA HIS 70 HA HIS 70 0.285 10.501 1.965 535 1HB HIS 70 HB2 HIS 70 -0.576 9.463 -0.642 536 2HB HIS 70 HB1 HIS 70 -0.083 8.205 0.488 537 HD2 HIS 70 HD2 HIS 70 -3.078 10.488 -0.203 538 HE1 HIS 70 HE1 HIS 70 -3.758 8.665 3.564 539 HE2 HIS 70 HE2 HIS 70 -4.777 9.987 1.677 540 H TYR 71 HN TYR 71 2.184 9.385 -0.826 541 HA TYR 71 HA TYR 71 3.761 7.536 0.567 542 1HB TYR 71 HB2 TYR 71 3.880 7.207 -1.699 543 2HB TYR 71 HB1 TYR 71 3.900 8.924 -2.061 544 HD1 TYR 71 HD1 TYR 71 5.820 9.754 -2.980 545 HD2 TYR 71 HD2 TYR 71 6.105 6.403 -0.375 546 HE1 TYR 71 HE1 TYR 71 8.237 9.645 -3.401 547 HE2 TYR 71 HE2 TYR 71 8.528 6.285 -0.785 548 HH TYR 71 HH TYR 71 10.356 7.846 -1.520 549 H LYS 72 HN LYS 72 3.798 10.954 0.667 550 HA LYS 72 HA LYS 72 6.560 11.372 1.180 551 1HB LYS 72 HB2 LYS 72 4.936 13.177 0.540 552 2HB LYS 72 HB1 LYS 72 4.245 13.063 2.150 553 1HG LYS 72 HG2 LYS 72 7.168 13.570 1.837 554 2HG LYS 72 HG1 LYS 72 6.020 14.885 1.588 555 1HD LYS 72 HD2 LYS 72 5.876 13.188 4.056 556 2HD LYS 72 HD1 LYS 72 7.031 14.514 3.946 557 1HE LYS 72 HE2 LYS 72 5.298 16.111 3.650 558 2HE LYS 72 HE1 LYS 72 4.088 14.851 3.418 559 1HZ LYS 72 HZ1 LYS 72 3.683 15.194 5.579 560 2HZ LYS 72 HZ2 LYS 72 5.177 15.932 5.866 561 3HZ LYS 72 HZ3 LYS 72 5.058 14.244 5.844 562 H GLU 73 HN GLU 73 3.764 11.345 3.410 563 HA GLU 73 HA GLU 73 5.165 11.465 5.789 564 1HB GLU 73 HB2 GLU 73 2.486 10.656 4.958 565 2HB GLU 73 HB1 GLU 73 3.046 9.772 6.373 566 1HG GLU 73 HG2 GLU 73 2.551 11.497 7.652 567 2HG GLU 73 HG1 GLU 73 3.696 12.496 6.759 568 H ALA 74 HN ALA 74 4.456 8.692 3.744 569 HA ALA 74 HA ALA 74 5.517 6.756 5.550 570 1HB ALA 74 HB1 ALA 74 3.888 6.566 3.451 571 2HB ALA 74 HB2 ALA 74 4.879 5.215 4.005 572 3HB ALA 74 HB3 ALA 74 5.413 6.200 2.641 573 H SER 75 HN SER 75 6.723 8.528 2.747 574 HA SER 75 HA SER 75 9.153 7.294 2.334 575 1HB SER 75 HB2 SER 75 8.652 8.948 0.775 576 2HB SER 75 HB1 SER 75 8.245 10.136 2.011 577 HG SER 75 HG SER 75 10.404 10.410 2.442 578 H ALA 76 HN ALA 76 8.520 10.049 4.522 579 HA ALA 76 HA ALA 76 11.009 10.337 5.657 580 1HB ALA 76 HB1 ALA 76 8.563 10.422 7.391 581 2HB ALA 76 HB2 ALA 76 8.820 11.624 6.126 582 3HB ALA 76 HB3 ALA 76 9.991 11.453 7.433 583 H ALA 77 HN ALA 77 8.497 8.013 6.491 584 HA ALA 77 HA ALA 77 9.959 6.763 8.619 585 1HB ALA 77 HB1 ALA 77 7.403 6.765 8.184 586 2HB ALA 77 HB2 ALA 77 8.161 5.311 8.833 587 3HB ALA 77 HB3 ALA 77 7.752 5.402 7.120 588 H TYR 78 HN TYR 78 9.762 6.435 5.208 589 HA TYR 78 HA TYR 78 10.635 3.860 4.697 590 1HB TYR 78 HB2 TYR 78 9.988 5.782 3.079 591 2HB TYR 78 HB1 TYR 78 11.684 6.230 3.162 592 HD1 TYR 78 HD1 TYR 78 9.787 5.158 0.839 593 HD2 TYR 78 HD2 TYR 78 12.879 3.456 3.212 594 HE1 TYR 78 HE1 TYR 78 10.274 3.561 -0.968 595 HE2 TYR 78 HE2 TYR 78 13.386 1.863 1.433 596 HH TYR 78 HH TYR 78 11.408 1.131 -1.012 597 H GLU 79 HN GLU 79 12.634 6.777 5.065 598 HA GLU 79 HA GLU 79 15.132 5.526 4.956 599 1HB GLU 79 HB2 GLU 79 14.177 8.113 6.136 600 2HB GLU 79 HB1 GLU 79 15.853 7.611 6.306 601 1HG GLU 79 HG2 GLU 79 16.303 8.416 4.302 602 2HG GLU 79 HG1 GLU 79 15.139 7.301 3.587 603 H SER 80 HN SER 80 12.984 6.132 7.683 604 HA SER 80 HA SER 80 14.730 5.529 9.751 605 1HB SER 80 HB2 SER 80 11.862 5.829 9.426 606 2HB SER 80 HB1 SER 80 12.251 4.581 10.610 607 HG SER 80 HG SER 80 12.485 6.244 11.884 608 H PHE 81 HN PHE 81 12.575 3.368 7.935 609 HA PHE 81 HA PHE 81 13.341 1.048 9.372 610 1HB PHE 81 HB2 PHE 81 11.809 1.517 6.838 611 2HB PHE 81 HB1 PHE 81 12.230 -0.115 7.354 612 HD1 PHE 81 HD1 PHE 81 11.460 -0.895 9.627 613 HD2 PHE 81 HD2 PHE 81 9.990 2.647 7.781 614 HE1 PHE 81 HE1 PHE 81 9.515 -0.922 11.134 615 HE2 PHE 81 HE2 PHE 81 8.039 2.624 9.283 616 HZ PHE 81 HZ PHE 81 7.802 0.839 10.962 617 H LYS 82 HN LYS 82 14.149 2.167 6.076 618 HA LYS 82 HA LYS 82 15.871 0.055 5.457 619 1HB LYS 82 HB2 LYS 82 16.826 1.588 3.740 620 2HB LYS 82 HB1 LYS 82 15.073 1.457 3.698 621 1HG LYS 82 HG2 LYS 82 15.253 3.698 3.511 622 2HG LYS 82 HG1 LYS 82 15.273 3.586 5.271 623 1HD LYS 82 HD2 LYS 82 17.150 4.805 5.096 624 2HD LYS 82 HD1 LYS 82 17.907 3.263 4.697 625 1HE LYS 82 HE2 LYS 82 17.213 3.855 2.265 626 2HE LYS 82 HE1 LYS 82 17.069 5.497 2.889 627 1HZ LYS 82 HZ1 LYS 82 19.503 3.796 2.932 628 2HZ LYS 82 HZ2 LYS 82 19.386 5.316 3.663 629 3HZ LYS 82 HZ3 LYS 82 19.250 5.175 1.983 630 H LYS 83 HN LYS 83 16.373 2.858 7.437 631 HA LYS 83 HA LYS 83 19.257 2.702 7.344 632 1HB LYS 83 HB2 LYS 83 17.297 4.388 8.874 633 2HB LYS 83 HB1 LYS 83 19.004 4.386 9.294 634 1HG LYS 83 HG2 LYS 83 19.500 5.018 6.926 635 2HG LYS 83 HG1 LYS 83 17.765 5.213 6.685 636 1HD LYS 83 HD2 LYS 83 17.698 7.161 7.809 637 2HD LYS 83 HD1 LYS 83 18.834 6.602 9.037 638 1HE LYS 83 HE2 LYS 83 20.699 7.145 7.714 639 2HE LYS 83 HE1 LYS 83 19.723 7.290 6.252 640 1HZ LYS 83 HZ1 LYS 83 20.031 9.472 6.792 641 2HZ LYS 83 HZ2 LYS 83 20.060 9.193 8.460 642 3HZ LYS 83 HZ3 LYS 83 18.588 9.180 7.626 643 H GLU 84 HN GLU 84 16.687 1.621 9.479 644 HA GLU 84 HA GLU 84 18.512 0.815 11.562 645 1HB GLU 84 HB2 GLU 84 16.538 0.042 12.727 646 2HB GLU 84 HB1 GLU 84 16.235 1.636 12.047 647 1HG GLU 84 HG2 GLU 84 14.749 0.851 10.499 648 2HG GLU 84 HG1 GLU 84 15.442 -0.769 10.486 649 H GLN 85 HN GLN 85 18.957 -0.392 8.953 650 HA GLN 85 HA GLN 85 17.993 -3.076 8.991 651 1HB GLN 85 HB2 GLN 85 19.750 -1.437 7.301 652 2HB GLN 85 HB1 GLN 85 20.224 -3.127 7.388 653 1HG GLN 85 HG2 GLN 85 17.472 -2.159 6.651 654 2HG GLN 85 HG1 GLN 85 18.727 -2.607 5.495 655 1HE2 GLN 85 HE21 GLN 85 16.047 -3.738 6.034 656 2HE2 GLN 85 HE22 GLN 85 16.314 -5.419 6.329 657 H GLU 86 HN GLU 86 19.577 -4.945 8.979 658 HA GLU 86 HA GLU 86 21.212 -4.755 11.377 659 1HB GLU 86 HB2 GLU 86 21.326 -7.211 11.226 660 2HB GLU 86 HB1 GLU 86 19.667 -6.628 11.207 661 1HG GLU 86 HG2 GLU 86 19.338 -7.842 9.391 662 2HG GLU 86 HG1 GLU 86 20.419 -6.749 8.528 663 H GLN 87 HN GLN 87 21.566 -4.938 7.959 664 HA GLN 87 HA GLN 87 24.302 -5.846 8.013 665 1HB GLN 87 HB2 GLN 87 22.261 -5.573 6.051 666 2HB GLN 87 HB1 GLN 87 23.637 -4.617 5.518 667 1HG GLN 87 HG2 GLN 87 24.931 -6.425 5.158 668 2HG GLN 87 HG1 GLN 87 24.248 -7.323 6.513 669 1HE2 GLN 87 HE21 GLN 87 21.689 -7.577 6.037 670 2HE2 GLN 87 HE22 GLN 87 21.374 -8.362 4.530 671 H GLN 88 HN GLN 88 22.603 -2.807 7.946 672 HA GLN 88 HA GLN 88 25.061 -1.321 7.421 673 1HB GLN 88 HB2 GLN 88 22.319 -0.865 6.898 674 2HB GLN 88 HB1 GLN 88 22.824 0.371 8.043 675 1HG GLN 88 HG2 GLN 88 23.879 1.497 6.462 676 2HG GLN 88 HG1 GLN 88 24.793 0.068 5.977 677 1HE2 GLN 88 HE21 GLN 88 22.818 -1.583 5.084 678 2HE2 GLN 88 HE22 GLN 88 22.068 -0.900 3.685 679 H THR 89 HN THR 89 26.221 -0.317 8.945 680 HA THR 89 HA THR 89 25.166 -0.332 11.696 681 HB THR 89 HB THR 89 27.135 -1.706 11.510 682 HG1 THR 89 HG1 THR 89 26.949 0.236 13.165 683 1HG2 THR 89 HG21 THR 89 28.609 -1.289 9.909 684 2HG2 THR 89 HG22 THR 89 29.273 -0.056 10.983 685 3HG2 THR 89 HG23 THR 89 28.089 0.386 9.753 686 H GLU 90 HN GLU 90 24.100 1.658 11.546 687 HA GLU 90 HA GLU 90 25.304 4.037 10.603 688 1HB GLU 90 HB2 GLU 90 22.855 3.704 10.832 689 2HB GLU 90 HB1 GLU 90 23.034 3.731 12.580 690 1HG GLU 90 HG2 GLU 90 22.329 5.875 12.072 691 2HG GLU 90 HG1 GLU 90 24.074 6.049 12.240 692 H GLN 91 HN GLN 91 26.028 5.868 11.815 693 HA GLN 91 HA GLN 91 27.616 5.123 14.113 694 1HB GLN 91 HB2 GLN 91 27.373 7.602 12.429 695 2HB GLN 91 HB1 GLN 91 28.263 7.628 13.946 696 1HG GLN 91 HG2 GLN 91 29.421 5.504 12.852 697 2HG GLN 91 HG1 GLN 91 28.925 6.325 11.373 698 1HE2 GLN 91 HE21 GLN 91 30.330 7.219 14.514 699 2HE2 GLN 91 HE22 GLN 91 31.570 8.231 13.861 700 H ALA 92 HN ALA 92 25.142 4.757 14.952 701 HA ALA 92 HA ALA 92 24.191 7.177 16.286 702 1HB ALA 92 HB1 ALA 92 22.702 5.461 15.050 703 2HB ALA 92 HB2 ALA 92 22.159 6.102 16.600 704 3HB ALA 92 HB3 ALA 92 22.881 4.496 16.514 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -10.330 -19.798 -23.040 2 2H GLY 1 HT2 GLY 1 -9.449 -20.868 -22.071 3 3H GLY 1 HT3 GLY 1 -10.827 -20.106 -21.452 4 1HA GLY 1 HA1 GLY 1 -10.600 -22.471 -23.082 5 2HA GLY 1 HA2 GLY 1 -11.877 -21.993 -21.977 6 HA PRO 2 HA PRO 2 -12.550 -20.807 -26.744 7 1HB PRO 2 HB2 PRO 2 -13.373 -23.643 -27.095 8 2HB PRO 2 HB1 PRO 2 -12.545 -22.564 -28.222 9 1HG PRO 2 HG2 PRO 2 -11.218 -24.503 -26.964 10 2HG PRO 2 HG1 PRO 2 -10.473 -22.919 -27.250 11 1HD PRO 2 HD2 PRO 2 -11.609 -24.056 -24.733 12 2HD PRO 2 HD1 PRO 2 -10.196 -23.006 -24.962 13 H LEU 3 HN LEU 3 -14.254 -23.311 -24.866 14 HA LEU 3 HA LEU 3 -16.842 -22.371 -25.679 15 1HB LEU 3 HB2 LEU 3 -15.893 -24.408 -23.681 16 2HB LEU 3 HB1 LEU 3 -17.587 -23.971 -23.808 17 HG LEU 3 HG LEU 3 -17.193 -25.993 -25.053 18 1HD1 LEU 3 HD11 LEU 3 -17.403 -24.412 -27.436 19 2HD1 LEU 3 HD12 LEU 3 -18.321 -23.664 -26.129 20 3HD1 LEU 3 HD13 LEU 3 -18.645 -25.334 -26.590 21 1HD2 LEU 3 HD21 LEU 3 -15.465 -26.378 -26.459 22 2HD2 LEU 3 HD22 LEU 3 -14.698 -25.122 -25.488 23 3HD2 LEU 3 HD23 LEU 3 -15.424 -24.715 -27.043 24 H GLY 4 HN GLY 4 -18.243 -21.070 -24.598 25 1HA GLY 4 HA2 GLY 4 -17.132 -19.564 -22.354 26 2HA GLY 4 HA1 GLY 4 -18.536 -19.116 -23.310 27 H SER 5 HN SER 5 -19.038 -18.731 -20.841 28 HA SER 5 HA SER 5 -20.100 -21.153 -19.598 29 1HB SER 5 HB2 SER 5 -20.470 -19.729 -17.624 30 2HB SER 5 HB1 SER 5 -18.801 -19.621 -18.182 31 HG SER 5 HG SER 5 -20.863 -17.760 -18.776 32 HA PRO 6 HA PRO 6 -23.989 -19.864 -21.568 33 1HB PRO 6 HB2 PRO 6 -25.280 -22.220 -21.126 34 2HB PRO 6 HB1 PRO 6 -24.181 -21.954 -22.483 35 1HG PRO 6 HG2 PRO 6 -23.676 -23.324 -19.872 36 2HG PRO 6 HG1 PRO 6 -23.149 -23.784 -21.502 37 1HD PRO 6 HD2 PRO 6 -21.514 -22.553 -19.724 38 2HD PRO 6 HD1 PRO 6 -21.374 -22.320 -21.477 39 H ARG 7 HN ARG 7 -23.924 -21.793 -18.557 40 HA ARG 7 HA ARG 7 -26.254 -20.313 -17.604 41 1HB ARG 7 HB2 ARG 7 -25.123 -22.948 -17.089 42 2HB ARG 7 HB1 ARG 7 -25.546 -22.103 -15.607 43 1HG ARG 7 HG2 ARG 7 -27.487 -22.294 -17.877 44 2HG ARG 7 HG1 ARG 7 -27.302 -23.610 -16.717 45 1HD ARG 7 HD2 ARG 7 -28.381 -22.491 -15.101 46 2HD ARG 7 HD1 ARG 7 -27.579 -20.969 -15.485 47 HE ARG 7 HE ARG 7 -30.097 -21.952 -16.569 48 1HH1 ARG 7 HH11 ARG 7 -27.600 -19.508 -16.636 49 2HH1 ARG 7 HH12 ARG 7 -28.547 -18.394 -17.560 50 1HH2 ARG 7 HH21 ARG 7 -31.343 -20.475 -17.768 51 2HH2 ARG 7 HH22 ARG 7 -30.670 -18.936 -18.195 52 H ASN 8 HN ASN 8 -25.108 -18.313 -17.312 53 HA ASN 8 HA ASN 8 -23.009 -18.203 -15.322 54 1HB ASN 8 HB2 ASN 8 -22.992 -16.725 -17.323 55 2HB ASN 8 HB1 ASN 8 -24.448 -15.937 -16.721 56 1HD2 ASN 8 HD21 ASN 8 -21.249 -15.579 -16.982 57 2HD2 ASN 8 HD22 ASN 8 -20.929 -14.583 -15.606 58 H ALA 9 HN ALA 9 -23.467 -18.250 -13.231 59 HA ALA 9 HA ALA 9 -26.072 -17.814 -12.188 60 1HB ALA 9 HB1 ALA 9 -24.772 -19.342 -10.994 61 2HB ALA 9 HB2 ALA 9 -24.816 -17.915 -9.959 62 3HB ALA 9 HB3 ALA 9 -23.385 -18.254 -10.931 63 H ASN 10 HN ASN 10 -26.602 -16.252 -10.482 64 HA ASN 10 HA ASN 10 -25.639 -13.598 -11.217 65 1HB ASN 10 HB2 ASN 10 -28.131 -14.705 -10.193 66 2HB ASN 10 HB1 ASN 10 -27.623 -13.280 -9.292 67 1HD2 ASN 10 HD21 ASN 10 -27.291 -11.317 -10.443 68 2HD2 ASN 10 HD22 ASN 10 -28.114 -11.027 -11.935 69 H ASP 11 HN ASP 11 -26.255 -15.442 -8.228 70 HA ASP 11 HA ASP 11 -24.602 -13.596 -6.710 71 1HB ASP 11 HB2 ASP 11 -25.262 -15.009 -4.766 72 2HB ASP 11 HB1 ASP 11 -26.639 -14.358 -5.651 73 H ASN 12 HN ASN 12 -22.520 -13.934 -7.438 74 HA ASN 12 HA ASN 12 -21.417 -16.630 -7.356 75 1HB ASN 12 HB2 ASN 12 -20.916 -14.363 -8.936 76 2HB ASN 12 HB1 ASN 12 -19.475 -14.572 -7.947 77 1HD2 ASN 12 HD21 ASN 12 -21.751 -16.520 -9.849 78 2HD2 ASN 12 HD22 ASN 12 -20.549 -17.536 -10.562 79 H ASN 13 HN ASN 13 -20.566 -17.388 -5.551 80 HA ASN 13 HA ASN 13 -19.528 -15.493 -3.558 81 1HB ASN 13 HB2 ASN 13 -21.377 -17.095 -2.920 82 2HB ASN 13 HB1 ASN 13 -20.214 -18.401 -3.122 83 1HD2 ASN 13 HD21 ASN 13 -19.065 -18.968 -1.417 84 2HD2 ASN 13 HD22 ASN 13 -18.861 -18.033 0.022 85 H GLN 14 HN GLN 14 -18.426 -17.485 -5.966 86 HA GLN 14 HA GLN 14 -16.020 -18.318 -4.529 87 1HB GLN 14 HB2 GLN 14 -17.524 -19.346 -6.773 88 2HB GLN 14 HB1 GLN 14 -15.829 -19.152 -7.198 89 1HG GLN 14 HG2 GLN 14 -15.504 -20.340 -4.849 90 2HG GLN 14 HG1 GLN 14 -17.104 -20.969 -5.242 91 1HE2 GLN 14 HE21 GLN 14 -13.746 -20.912 -6.120 92 2HE2 GLN 14 HE22 GLN 14 -13.802 -22.234 -7.230 93 H PHE 15 HN PHE 15 -17.114 -15.972 -6.828 94 HA PHE 15 HA PHE 15 -14.389 -15.336 -7.655 95 1HB PHE 15 HB2 PHE 15 -16.875 -15.146 -8.934 96 2HB PHE 15 HB1 PHE 15 -16.390 -13.480 -8.627 97 HD1 PHE 15 HD1 PHE 15 -14.386 -16.502 -9.470 98 HD2 PHE 15 HD2 PHE 15 -15.644 -12.605 -10.625 99 HE1 PHE 15 HE1 PHE 15 -12.869 -16.592 -11.404 100 HE2 PHE 15 HE2 PHE 15 -14.130 -12.687 -12.564 101 HZ PHE 15 HZ PHE 15 -12.741 -14.682 -12.955 102 H TYR 16 HN TYR 16 -15.018 -14.948 -4.925 103 HA TYR 16 HA TYR 16 -15.649 -12.282 -4.313 104 1HB TYR 16 HB2 TYR 16 -14.908 -12.759 -2.080 105 2HB TYR 16 HB1 TYR 16 -15.768 -14.166 -2.699 106 HD1 TYR 16 HD1 TYR 16 -14.137 -15.890 -3.958 107 HD2 TYR 16 HD2 TYR 16 -12.971 -13.164 -0.920 108 HE1 TYR 16 HE1 TYR 16 -12.206 -17.304 -3.450 109 HE2 TYR 16 HE2 TYR 16 -11.029 -14.573 -0.394 110 HH TYR 16 HH TYR 16 -10.131 -17.291 -2.389 111 H GLN 17 HN GLN 17 -12.808 -13.677 -5.585 112 HA GLN 17 HA GLN 17 -11.042 -11.605 -4.593 113 1HB GLN 17 HB2 GLN 17 -10.747 -14.148 -6.027 114 2HB GLN 17 HB1 GLN 17 -9.647 -12.892 -6.579 115 1HG GLN 17 HG2 GLN 17 -9.192 -12.577 -4.029 116 2HG GLN 17 HG1 GLN 17 -9.830 -14.217 -3.919 117 1HE2 GLN 17 HE21 GLN 17 -7.382 -14.026 -3.093 118 2HE2 GLN 17 HE22 GLN 17 -6.234 -14.602 -4.250 119 H GLN 18 HN GLN 18 -11.320 -9.640 -5.414 120 HA GLN 18 HA GLN 18 -12.237 -9.184 -8.099 121 1HB GLN 18 HB2 GLN 18 -11.267 -7.338 -5.924 122 2HB GLN 18 HB1 GLN 18 -11.825 -6.770 -7.491 123 1HG GLN 18 HG2 GLN 18 -13.985 -7.073 -6.969 124 2HG GLN 18 HG1 GLN 18 -13.673 -8.569 -6.092 125 1HE2 GLN 18 HE21 GLN 18 -11.974 -7.836 -4.150 126 2HE2 GLN 18 HE22 GLN 18 -12.699 -6.671 -3.100 127 H LYS 19 HN LYS 19 -10.969 -9.276 -9.831 128 HA LYS 19 HA LYS 19 -8.146 -9.392 -9.674 129 1HB LYS 19 HB2 LYS 19 -10.146 -9.810 -11.661 130 2HB LYS 19 HB1 LYS 19 -8.933 -8.725 -12.325 131 1HG LYS 19 HG2 LYS 19 -7.823 -11.025 -10.900 132 2HG LYS 19 HG1 LYS 19 -8.781 -11.442 -12.322 133 1HD LYS 19 HD2 LYS 19 -6.975 -9.203 -12.788 134 2HD LYS 19 HD1 LYS 19 -6.130 -10.678 -12.313 135 1HE LYS 19 HE2 LYS 19 -8.260 -10.814 -14.398 136 2HE LYS 19 HE1 LYS 19 -6.664 -10.202 -14.831 137 1HZ LYS 19 HZ1 LYS 19 -7.199 -12.721 -15.032 138 2HZ LYS 19 HZ2 LYS 19 -6.876 -12.742 -13.371 139 3HZ LYS 19 HZ3 LYS 19 -5.688 -12.224 -14.458 140 H GLN 20 HN GLN 20 -10.382 -6.793 -10.018 141 HA GLN 20 HA GLN 20 -8.427 -4.922 -11.035 142 1HB GLN 20 HB2 GLN 20 -11.251 -4.540 -10.029 143 2HB GLN 20 HB1 GLN 20 -10.254 -3.245 -10.677 144 1HG GLN 20 HG2 GLN 20 -10.100 -5.102 -12.663 145 2HG GLN 20 HG1 GLN 20 -11.735 -5.354 -12.055 146 1HE2 GLN 20 HE21 GLN 20 -11.801 -4.568 -14.479 147 2HE2 GLN 20 HE22 GLN 20 -12.134 -2.883 -14.659 148 H ARG 21 HN ARG 21 -9.828 -5.830 -7.965 149 HA ARG 21 HA ARG 21 -9.079 -3.659 -6.380 150 1HB ARG 21 HB2 ARG 21 -10.462 -5.819 -5.873 151 2HB ARG 21 HB1 ARG 21 -8.917 -6.440 -5.311 152 1HG ARG 21 HG2 ARG 21 -8.895 -4.151 -3.993 153 2HG ARG 21 HG1 ARG 21 -10.642 -4.311 -4.183 154 1HD ARG 21 HD2 ARG 21 -10.089 -5.334 -2.119 155 2HD ARG 21 HD1 ARG 21 -10.419 -6.636 -3.258 156 HE ARG 21 HE ARG 21 -7.681 -5.773 -2.595 157 1HH1 ARG 21 HH11 ARG 21 -10.057 -8.301 -3.041 158 2HH1 ARG 21 HH12 ARG 21 -8.912 -9.578 -2.825 159 1HH2 ARG 21 HH21 ARG 21 -6.187 -7.458 -2.309 160 2HH2 ARG 21 HH22 ARG 21 -6.719 -9.102 -2.412 161 H GLN 22 HN GLN 22 -7.348 -6.779 -6.546 162 HA GLN 22 HA GLN 22 -5.022 -5.733 -5.317 163 1HB GLN 22 HB2 GLN 22 -5.727 -8.160 -5.367 164 2HB GLN 22 HB1 GLN 22 -5.165 -8.210 -7.033 165 1HG GLN 22 HG2 GLN 22 -3.449 -9.092 -5.641 166 2HG GLN 22 HG1 GLN 22 -2.917 -7.521 -6.236 167 1HE2 GLN 22 HE21 GLN 22 -2.658 -9.361 -3.685 168 2HE2 GLN 22 HE22 GLN 22 -2.687 -8.199 -2.406 169 H ALA 23 HN ALA 23 -6.144 -5.776 -8.583 170 HA ALA 23 HA ALA 23 -3.708 -5.592 -9.960 171 1HB ALA 23 HB1 ALA 23 -6.525 -5.037 -10.540 172 2HB ALA 23 HB2 ALA 23 -5.298 -5.832 -11.526 173 3HB ALA 23 HB3 ALA 23 -5.385 -4.072 -11.477 174 H LEU 24 HN LEU 24 -5.933 -2.901 -9.215 175 HA LEU 24 HA LEU 24 -3.980 -0.917 -9.713 176 1HB LEU 24 HB2 LEU 24 -6.736 -1.007 -8.625 177 2HB LEU 24 HB1 LEU 24 -5.799 0.436 -8.313 178 HG LEU 24 HG LEU 24 -7.173 0.765 -10.266 179 1HD1 LEU 24 HD11 LEU 24 -5.249 1.987 -10.585 180 2HD1 LEU 24 HD12 LEU 24 -5.259 0.978 -12.030 181 3HD1 LEU 24 HD13 LEU 24 -4.221 0.557 -10.669 182 1HD2 LEU 24 HD21 LEU 24 -6.773 -0.657 -12.287 183 2HD2 LEU 24 HD22 LEU 24 -7.571 -1.475 -10.943 184 3HD2 LEU 24 HD23 LEU 24 -5.855 -1.753 -11.251 185 H GLY 25 HN GLY 25 -5.162 -2.471 -6.754 186 1HA GLY 25 HA2 GLY 25 -3.923 -0.766 -4.903 187 2HA GLY 25 HA1 GLY 25 -4.310 -2.456 -4.612 188 H GLU 26 HN GLU 26 -2.696 -3.568 -6.656 189 HA GLU 26 HA GLU 26 -0.244 -3.801 -5.314 190 1HB GLU 26 HB2 GLU 26 -1.098 -5.532 -6.835 191 2HB GLU 26 HB1 GLU 26 -0.897 -4.438 -8.199 192 1HG GLU 26 HG2 GLU 26 1.395 -4.614 -8.180 193 2HG GLU 26 HG1 GLU 26 1.452 -5.087 -6.483 194 H GLN 27 HN GLN 27 -1.396 -1.595 -7.761 195 HA GLN 27 HA GLN 27 1.114 -0.683 -8.669 196 1HB GLN 27 HB2 GLN 27 -1.632 0.526 -8.682 197 2HB GLN 27 HB1 GLN 27 -0.245 1.429 -9.267 198 1HG GLN 27 HG2 GLN 27 0.203 -0.516 -10.814 199 2HG GLN 27 HG1 GLN 27 -1.382 -1.130 -10.349 200 1HE2 GLN 27 HE21 GLN 27 -0.042 2.048 -11.228 201 2HE2 GLN 27 HE22 GLN 27 -1.248 2.414 -12.410 202 H LEU 28 HN LEU 28 -0.718 -0.032 -5.793 203 HA LEU 28 HA LEU 28 0.498 2.424 -5.077 204 1HB LEU 28 HB2 LEU 28 -1.576 1.278 -4.054 205 2HB LEU 28 HB1 LEU 28 -0.431 0.370 -3.085 206 HG LEU 28 HG LEU 28 0.476 2.763 -2.461 207 1HD1 LEU 28 HD11 LEU 28 -0.937 4.541 -2.671 208 2HD1 LEU 28 HD12 LEU 28 -2.381 3.532 -2.745 209 3HD1 LEU 28 HD13 LEU 28 -1.331 3.669 -4.153 210 1HD2 LEU 28 HD21 LEU 28 -1.668 1.083 -1.366 211 2HD2 LEU 28 HD22 LEU 28 -1.659 2.746 -0.778 212 3HD2 LEU 28 HD23 LEU 28 -0.225 1.735 -0.590 213 H TYR 29 HN TYR 29 1.309 -0.952 -4.433 214 HA TYR 29 HA TYR 29 3.539 -0.443 -2.757 215 1HB TYR 29 HB2 TYR 29 2.429 -2.594 -2.724 216 2HB TYR 29 HB1 TYR 29 2.817 -2.862 -4.418 217 HD1 TYR 29 HD1 TYR 29 4.411 -4.486 -4.722 218 HD2 TYR 29 HD2 TYR 29 4.770 -1.899 -1.364 219 HE1 TYR 29 HE1 TYR 29 6.484 -5.634 -4.069 220 HE2 TYR 29 HE2 TYR 29 6.852 -3.041 -0.709 221 HH TYR 29 HH TYR 29 7.736 -5.906 -1.603 222 H LYS 30 HN LYS 30 3.351 -1.272 -6.232 223 HA LYS 30 HA LYS 30 6.113 -1.242 -6.723 224 1HB LYS 30 HB2 LYS 30 5.559 -1.127 -9.059 225 2HB LYS 30 HB1 LYS 30 4.365 -2.149 -8.267 226 1HG LYS 30 HG2 LYS 30 2.847 -0.178 -8.180 227 2HG LYS 30 HG1 LYS 30 4.018 0.704 -9.155 228 1HD LYS 30 HD2 LYS 30 2.877 -1.933 -10.035 229 2HD LYS 30 HD1 LYS 30 2.065 -0.403 -10.375 230 1HE LYS 30 HE2 LYS 30 4.104 0.397 -11.506 231 2HE LYS 30 HE1 LYS 30 4.859 -1.169 -11.216 232 1HZ LYS 30 HZ1 LYS 30 4.006 -1.176 -13.413 233 2HZ LYS 30 HZ2 LYS 30 2.495 -0.599 -12.915 234 3HZ LYS 30 HZ3 LYS 30 2.983 -2.164 -12.496 235 H LYS 31 HN LYS 31 3.768 1.321 -6.533 236 HA LYS 31 HA LYS 31 5.184 3.384 -7.793 237 1HB LYS 31 HB2 LYS 31 2.745 3.303 -6.979 238 2HB LYS 31 HB1 LYS 31 3.386 3.789 -5.418 239 1HG LYS 31 HG2 LYS 31 3.165 5.886 -6.103 240 2HG LYS 31 HG1 LYS 31 4.516 5.584 -7.201 241 1HD LYS 31 HD2 LYS 31 2.751 4.670 -8.817 242 2HD LYS 31 HD1 LYS 31 1.567 5.448 -7.766 243 1HE LYS 31 HE2 LYS 31 3.528 7.382 -8.211 244 2HE LYS 31 HE1 LYS 31 3.288 6.603 -9.775 245 1HZ LYS 31 HZ1 LYS 31 1.643 8.136 -9.870 246 2HZ LYS 31 HZ2 LYS 31 1.429 8.203 -8.193 247 3HZ LYS 31 HZ3 LYS 31 0.778 6.917 -9.077 248 H VAL 32 HN VAL 32 5.226 2.219 -4.475 249 HA VAL 32 HA VAL 32 7.074 4.267 -3.615 250 HB VAL 32 HB VAL 32 7.132 3.043 -1.488 251 1HG1 VAL 32 HG11 VAL 32 4.940 3.604 -0.791 252 2HG1 VAL 32 HG12 VAL 32 4.293 3.359 -2.413 253 3HG1 VAL 32 HG13 VAL 32 5.361 4.724 -2.086 254 1HG2 VAL 32 HG21 VAL 32 6.741 0.778 -2.628 255 2HG2 VAL 32 HG22 VAL 32 5.032 1.185 -2.533 256 3HG2 VAL 32 HG23 VAL 32 5.997 1.062 -1.063 257 H SER 33 HN SER 33 7.204 0.821 -4.459 258 HA SER 33 HA SER 33 9.977 0.563 -3.810 259 1HB SER 33 HB2 SER 33 7.912 -1.212 -4.243 260 2HB SER 33 HB1 SER 33 8.899 -1.407 -5.690 261 HG SER 33 HG SER 33 10.047 -1.409 -3.109 262 H ALA 34 HN ALA 34 8.721 2.440 -6.064 263 HA ALA 34 HA ALA 34 9.949 1.662 -8.474 264 1HB ALA 34 HB1 ALA 34 8.140 3.274 -8.432 265 2HB ALA 34 HB2 ALA 34 9.567 3.983 -9.186 266 3HB ALA 34 HB3 ALA 34 9.142 4.408 -7.528 267 H LYS 35 HN LYS 35 11.388 2.565 -5.607 268 HA LYS 35 HA LYS 35 13.701 3.797 -6.933 269 1HB LYS 35 HB2 LYS 35 13.303 3.547 -3.960 270 2HB LYS 35 HB1 LYS 35 14.347 4.663 -4.828 271 1HG LYS 35 HG2 LYS 35 11.458 4.874 -5.392 272 2HG LYS 35 HG1 LYS 35 11.984 5.350 -3.778 273 1HD LYS 35 HD2 LYS 35 13.820 6.455 -5.631 274 2HD LYS 35 HD1 LYS 35 12.195 6.796 -6.227 275 1HE LYS 35 HE2 LYS 35 11.694 8.158 -4.486 276 2HE LYS 35 HE1 LYS 35 12.655 7.221 -3.342 277 1HZ LYS 35 HZ1 LYS 35 13.343 9.613 -4.529 278 2HZ LYS 35 HZ2 LYS 35 14.326 8.454 -5.272 279 3HZ LYS 35 HZ3 LYS 35 14.338 8.619 -3.589 280 H THR 36 HN THR 36 12.617 0.886 -5.468 281 HA THR 36 HA THR 36 14.897 -0.569 -6.194 282 HB THR 36 HB THR 36 16.039 0.571 -4.394 283 HG1 THR 36 HG1 THR 36 16.546 -1.612 -4.583 284 1HG2 THR 36 HG21 THR 36 15.256 0.058 -2.009 285 2HG2 THR 36 HG22 THR 36 13.680 -0.232 -2.742 286 3HG2 THR 36 HG23 THR 36 14.446 1.349 -2.898 287 H SER 37 HN SER 37 14.854 -2.828 -5.293 288 HA SER 37 HA SER 37 12.070 -3.679 -5.054 289 1HB SER 37 HB2 SER 37 14.624 -5.103 -5.776 290 2HB SER 37 HB1 SER 37 13.154 -5.996 -5.382 291 HG SER 37 HG SER 37 13.681 -4.293 -7.554 292 H ASN 38 HN ASN 38 13.123 -2.468 -2.780 293 HA ASN 38 HA ASN 38 13.957 -4.503 -0.908 294 1HB ASN 38 HB2 ASN 38 13.603 -1.580 -0.852 295 2HB ASN 38 HB1 ASN 38 13.231 -2.401 0.660 296 1HD2 ASN 38 HD21 ASN 38 14.830 -3.106 1.915 297 2HD2 ASN 38 HD22 ASN 38 16.510 -2.999 1.525 298 H GLU 39 HN GLU 39 12.443 -6.032 -0.556 299 HA GLU 39 HA GLU 39 9.677 -5.670 -0.570 300 1HB GLU 39 HB2 GLU 39 11.347 -7.813 -0.402 301 2HB GLU 39 HB1 GLU 39 10.681 -7.777 1.225 302 1HG GLU 39 HG2 GLU 39 8.472 -8.023 0.426 303 2HG GLU 39 HG1 GLU 39 8.967 -7.715 -1.238 304 H GLU 40 HN GLU 40 12.017 -5.214 1.980 305 HA GLU 40 HA GLU 40 10.000 -4.975 4.043 306 1HB GLU 40 HB2 GLU 40 12.944 -4.309 4.187 307 2HB GLU 40 HB1 GLU 40 11.850 -4.533 5.545 308 1HG GLU 40 HG2 GLU 40 12.299 -6.733 3.574 309 2HG GLU 40 HG1 GLU 40 13.444 -6.444 4.884 310 H ALA 41 HN ALA 41 11.593 -2.919 1.801 311 HA ALA 41 HA ALA 41 11.246 -0.461 3.252 312 1HB ALA 41 HB1 ALA 41 13.044 -0.621 1.685 313 2HB ALA 41 HB2 ALA 41 11.883 0.566 1.098 314 3HB ALA 41 HB3 ALA 41 11.925 -1.037 0.385 315 H ALA 42 HN ALA 42 10.030 -1.283 0.046 316 HA ALA 42 HA ALA 42 7.994 0.583 -0.025 317 1HB ALA 42 HB1 ALA 42 8.420 -1.989 -1.508 318 2HB ALA 42 HB2 ALA 42 8.649 -0.336 -2.075 319 3HB ALA 42 HB3 ALA 42 7.021 -0.962 -1.815 320 H GLY 43 HN GLY 43 7.959 -2.749 1.152 321 1HA GLY 43 HA2 GLY 43 5.149 -2.927 1.481 322 2HA GLY 43 HA1 GLY 43 6.348 -3.936 2.281 323 H LYS 44 HN LYS 44 7.707 -1.546 3.385 324 HA LYS 44 HA LYS 44 6.237 -1.402 5.832 325 1HB LYS 44 HB2 LYS 44 8.866 -0.768 4.948 326 2HB LYS 44 HB1 LYS 44 8.192 0.683 5.675 327 1HG LYS 44 HG2 LYS 44 9.394 -0.635 7.319 328 2HG LYS 44 HG1 LYS 44 7.675 -0.561 7.706 329 1HD LYS 44 HD2 LYS 44 8.001 -2.818 6.069 330 2HD LYS 44 HD1 LYS 44 9.337 -2.858 7.220 331 1HE LYS 44 HE2 LYS 44 6.863 -2.149 8.529 332 2HE LYS 44 HE1 LYS 44 6.698 -3.669 7.653 333 1HZ LYS 44 HZ1 LYS 44 7.987 -3.199 10.101 334 2HZ LYS 44 HZ2 LYS 44 9.145 -3.728 8.989 335 3HZ LYS 44 HZ3 LYS 44 7.772 -4.668 9.292 336 H ILE 45 HN ILE 45 7.272 1.175 3.611 337 HA ILE 45 HA ILE 45 5.581 3.127 4.683 338 HB ILE 45 HB ILE 45 6.080 4.443 2.710 339 1HG1 ILE 45 HG12 ILE 45 7.352 1.935 1.626 340 2HG1 ILE 45 HG11 ILE 45 5.913 2.729 0.985 341 1HG2 ILE 45 HG21 ILE 45 8.691 3.172 3.146 342 2HG2 ILE 45 HG22 ILE 45 7.822 3.643 4.607 343 3HG2 ILE 45 HG23 ILE 45 8.192 4.847 3.372 344 1HD1 ILE 45 HD11 ILE 45 8.263 4.461 1.218 345 2HD1 ILE 45 HD12 ILE 45 7.106 4.281 -0.097 346 3HD1 ILE 45 HD13 ILE 45 8.433 3.127 0.074 347 H THR 46 HN THR 46 5.051 0.778 2.116 348 HA THR 46 HA THR 46 2.679 1.893 1.070 349 HB THR 46 HB THR 46 3.578 -0.998 1.191 350 HG1 THR 46 HG1 THR 46 4.467 1.007 -0.207 351 1HG2 THR 46 HG21 THR 46 1.992 -1.562 -0.459 352 2HG2 THR 46 HG22 THR 46 1.513 0.120 -0.683 353 3HG2 THR 46 HG23 THR 46 1.101 -0.723 0.811 354 H GLY 47 HN GLY 47 3.357 -0.005 3.921 355 1HA GLY 47 HA2 GLY 47 0.743 -0.854 4.529 356 2HA GLY 47 HA1 GLY 47 2.042 -0.625 5.694 357 H MET 48 HN MET 48 2.455 2.162 5.142 358 HA MET 48 HA MET 48 0.488 3.262 6.882 359 1HB MET 48 HB2 MET 48 2.348 4.881 5.156 360 2HB MET 48 HB1 MET 48 1.694 5.287 6.737 361 1HG MET 48 HG2 MET 48 3.014 3.197 7.526 362 2HG MET 48 HG1 MET 48 3.916 3.430 6.032 363 1HE MET 48 HE1 MET 48 6.413 4.415 8.396 364 2HE MET 48 HE2 MET 48 6.548 5.101 6.777 365 3HE MET 48 HE3 MET 48 5.871 3.489 6.995 366 H ILE 49 HN ILE 49 1.172 3.652 3.401 367 HA ILE 49 HA ILE 49 -1.143 5.283 2.943 368 HB ILE 49 HB ILE 49 0.321 3.719 0.825 369 1HG1 ILE 49 HG12 ILE 49 1.108 6.529 1.386 370 2HG1 ILE 49 HG11 ILE 49 1.707 5.301 2.495 371 1HG2 ILE 49 HG21 ILE 49 -1.401 6.172 0.862 372 2HG2 ILE 49 HG22 ILE 49 -1.587 4.697 -0.088 373 3HG2 ILE 49 HG23 ILE 49 -0.300 5.839 -0.476 374 1HD1 ILE 49 HD11 ILE 49 2.008 4.670 -0.354 375 2HD1 ILE 49 HD12 ILE 49 3.131 4.454 0.987 376 3HD1 ILE 49 HD13 ILE 49 2.955 6.036 0.229 377 H LEU 50 HN LEU 50 -0.882 2.174 3.805 378 HA LEU 50 HA LEU 50 -2.711 0.896 2.011 379 1HB LEU 50 HB2 LEU 50 -0.906 0.033 3.896 380 2HB LEU 50 HB1 LEU 50 -2.441 -0.274 4.684 381 HG LEU 50 HG LEU 50 -1.770 -2.265 3.541 382 1HD1 LEU 50 HD11 LEU 50 -4.174 -1.580 3.464 383 2HD1 LEU 50 HD12 LEU 50 -3.676 -2.682 2.180 384 3HD1 LEU 50 HD13 LEU 50 -3.882 -0.965 1.837 385 1HD2 LEU 50 HD21 LEU 50 -0.855 -0.400 1.537 386 2HD2 LEU 50 HD22 LEU 50 -1.844 -1.669 0.818 387 3HD2 LEU 50 HD23 LEU 50 -0.428 -2.094 1.776 388 H ASP 51 HN ASP 51 -3.385 3.408 3.741 389 HA ASP 51 HA ASP 51 -5.673 2.490 5.248 390 1HB ASP 51 HB2 ASP 51 -4.121 4.466 5.858 391 2HB ASP 51 HB1 ASP 51 -5.015 5.365 4.636 392 H LEU 52 HN LEU 52 -4.933 3.684 2.089 393 HA LEU 52 HA LEU 52 -7.517 4.671 1.430 394 1HB LEU 52 HB2 LEU 52 -5.095 3.862 -0.136 395 2HB LEU 52 HB1 LEU 52 -6.606 4.161 -0.973 396 HG LEU 52 HG LEU 52 -6.652 6.452 -0.143 397 1HD1 LEU 52 HD11 LEU 52 -4.072 5.724 1.234 398 2HD1 LEU 52 HD12 LEU 52 -5.599 6.149 2.008 399 3HD1 LEU 52 HD13 LEU 52 -4.713 7.360 1.080 400 1HD2 LEU 52 HD21 LEU 52 -5.574 6.725 -2.082 401 2HD2 LEU 52 HD22 LEU 52 -4.488 5.369 -1.780 402 3HD2 LEU 52 HD23 LEU 52 -4.135 6.953 -1.090 403 HA PRO 53 HA PRO 53 -9.735 0.797 1.354 404 1HB PRO 53 HB2 PRO 53 -11.256 2.247 -0.759 405 2HB PRO 53 HB1 PRO 53 -11.852 1.350 0.639 406 1HG PRO 53 HG2 PRO 53 -11.806 4.024 0.629 407 2HG PRO 53 HG1 PRO 53 -11.461 3.097 2.099 408 1HD PRO 53 HD2 PRO 53 -9.608 4.594 0.327 409 2HD PRO 53 HD1 PRO 53 -9.488 4.259 2.066 410 HA PRO 54 HA PRO 54 -8.295 -1.655 -1.984 411 1HB PRO 54 HB2 PRO 54 -11.111 -2.368 -2.634 412 2HB PRO 54 HB1 PRO 54 -9.728 -3.412 -2.299 413 1HG PRO 54 HG2 PRO 54 -11.646 -3.038 -0.479 414 2HG PRO 54 HG1 PRO 54 -9.943 -3.202 -0.013 415 1HD PRO 54 HD2 PRO 54 -11.653 -0.767 -0.129 416 2HD PRO 54 HD1 PRO 54 -10.329 -1.169 0.983 417 H GLN 55 HN GLN 55 -11.467 -0.579 -3.193 418 HA GLN 55 HA GLN 55 -10.356 -0.013 -5.780 419 1HB GLN 55 HB2 GLN 55 -12.604 0.600 -6.430 420 2HB GLN 55 HB1 GLN 55 -12.641 -0.899 -5.513 421 1HG GLN 55 HG2 GLN 55 -13.132 0.641 -3.491 422 2HG GLN 55 HG1 GLN 55 -13.577 1.821 -4.724 423 1HE2 GLN 55 HE21 GLN 55 -14.838 0.438 -6.597 424 2HE2 GLN 55 HE22 GLN 55 -16.240 -0.354 -5.969 425 H GLU 56 HN GLU 56 -11.408 1.878 -3.007 426 HA GLU 56 HA GLU 56 -11.358 4.411 -4.226 427 1HB GLU 56 HB2 GLU 56 -12.216 3.568 -1.858 428 2HB GLU 56 HB1 GLU 56 -10.644 4.170 -1.350 429 1HG GLU 56 HG2 GLU 56 -11.507 6.245 -2.844 430 2HG GLU 56 HG1 GLU 56 -13.037 5.627 -2.226 431 H VAL 57 HN VAL 57 -8.774 2.347 -3.432 432 HA VAL 57 HA VAL 57 -6.866 4.491 -3.019 433 HB VAL 57 HB VAL 57 -6.589 2.358 -1.816 434 1HG1 VAL 57 HG11 VAL 57 -6.897 0.434 -2.866 435 2HG1 VAL 57 HG12 VAL 57 -5.392 0.707 -3.741 436 3HG1 VAL 57 HG13 VAL 57 -6.923 1.243 -4.432 437 1HG2 VAL 57 HG21 VAL 57 -4.620 3.855 -3.133 438 2HG2 VAL 57 HG22 VAL 57 -4.146 2.166 -3.310 439 3HG2 VAL 57 HG23 VAL 57 -4.427 2.839 -1.704 440 H PHE 58 HN PHE 58 -8.037 2.488 -5.592 441 HA PHE 58 HA PHE 58 -6.080 2.399 -7.457 442 1HB PHE 58 HB2 PHE 58 -8.963 3.131 -7.974 443 2HB PHE 58 HB1 PHE 58 -7.818 2.680 -9.222 444 HD1 PHE 58 HD1 PHE 58 -9.803 1.102 -9.654 445 HD2 PHE 58 HD2 PHE 58 -7.192 0.776 -6.311 446 HE1 PHE 58 HE1 PHE 58 -10.466 -1.243 -9.382 447 HE2 PHE 58 HE2 PHE 58 -7.856 -1.585 -6.030 448 HZ PHE 58 HZ PHE 58 -9.494 -2.588 -7.574 449 HA PRO 59 HA PRO 59 -7.135 6.935 -9.003 450 1HB PRO 59 HB2 PRO 59 -7.997 8.102 -6.413 451 2HB PRO 59 HB1 PRO 59 -8.605 8.404 -8.044 452 1HG PRO 59 HG2 PRO 59 -10.010 6.945 -6.313 453 2HG PRO 59 HG1 PRO 59 -9.954 6.519 -8.034 454 1HD PRO 59 HD2 PRO 59 -8.519 5.274 -5.725 455 2HD PRO 59 HD1 PRO 59 -9.243 4.510 -7.151 456 H LEU 60 HN LEU 60 -5.975 6.353 -5.700 457 HA LEU 60 HA LEU 60 -4.047 8.498 -5.899 458 1HB LEU 60 HB2 LEU 60 -5.203 7.848 -3.769 459 2HB LEU 60 HB1 LEU 60 -4.234 6.387 -3.764 460 HG LEU 60 HG LEU 60 -3.419 8.329 -2.319 461 1HD1 LEU 60 HD11 LEU 60 -2.067 6.350 -3.708 462 2HD1 LEU 60 HD12 LEU 60 -1.452 7.297 -2.354 463 3HD1 LEU 60 HD13 LEU 60 -1.136 7.817 -4.007 464 1HD2 LEU 60 HD21 LEU 60 -2.137 9.432 -4.743 465 2HD2 LEU 60 HD22 LEU 60 -2.577 10.222 -3.228 466 3HD2 LEU 60 HD23 LEU 60 -3.818 9.868 -4.430 467 H LEU 61 HN LEU 61 -3.961 4.967 -5.895 468 HA LEU 61 HA LEU 61 -1.170 4.706 -5.909 469 1HB LEU 61 HB2 LEU 61 -1.670 2.458 -7.043 470 2HB LEU 61 HB1 LEU 61 -2.279 2.737 -5.425 471 HG LEU 61 HG LEU 61 -4.427 3.522 -6.810 472 1HD1 LEU 61 HD11 LEU 61 -3.941 3.172 -8.995 473 2HD1 LEU 61 HD12 LEU 61 -4.572 1.582 -8.583 474 3HD1 LEU 61 HD13 LEU 61 -2.834 1.847 -8.653 475 1HD2 LEU 61 HD21 LEU 61 -4.987 0.921 -6.667 476 2HD2 LEU 61 HD22 LEU 61 -4.896 1.956 -5.246 477 3HD2 LEU 61 HD23 LEU 61 -3.524 0.946 -5.687 478 H GLU 62 HN GLU 62 -3.232 5.875 -8.359 479 HA GLU 62 HA GLU 62 -1.150 5.392 -10.379 480 1HB GLU 62 HB2 GLU 62 -2.891 5.812 -12.065 481 2HB GLU 62 HB1 GLU 62 -3.294 4.457 -11.023 482 1HG GLU 62 HG2 GLU 62 -5.178 5.414 -10.364 483 2HG GLU 62 HG1 GLU 62 -4.355 6.924 -9.973 484 H SER 63 HN SER 63 -2.344 7.739 -8.330 485 HA SER 63 HA SER 63 -1.747 9.954 -10.158 486 1HB SER 63 HB2 SER 63 -3.459 9.613 -7.801 487 2HB SER 63 HB1 SER 63 -2.522 11.108 -7.778 488 HG SER 63 HG SER 63 -4.237 11.683 -8.935 489 H ASP 64 HN ASP 64 0.318 10.564 -10.203 490 HA ASP 64 HA ASP 64 2.247 9.926 -8.273 491 1HB ASP 64 HB2 ASP 64 2.232 12.017 -10.448 492 2HB ASP 64 HB1 ASP 64 3.647 11.650 -9.467 493 H GLU 65 HN GLU 65 1.042 13.206 -9.033 494 HA GLU 65 HA GLU 65 2.198 14.578 -6.975 495 1HB GLU 65 HB2 GLU 65 0.167 16.114 -7.112 496 2HB GLU 65 HB1 GLU 65 1.068 15.844 -8.598 497 1HG GLU 65 HG2 GLU 65 -0.807 13.864 -8.706 498 2HG GLU 65 HG1 GLU 65 -1.690 15.171 -7.919 499 H LEU 66 HN LEU 66 -1.083 13.184 -6.847 500 HA LEU 66 HA LEU 66 -1.552 13.802 -4.154 501 1HB LEU 66 HB2 LEU 66 -2.970 12.691 -6.249 502 2HB LEU 66 HB1 LEU 66 -2.888 11.394 -5.085 503 HG LEU 66 HG LEU 66 -4.932 12.667 -4.790 504 1HD1 LEU 66 HD11 LEU 66 -3.840 11.690 -2.813 505 2HD1 LEU 66 HD12 LEU 66 -4.757 13.145 -2.427 506 3HD1 LEU 66 HD13 LEU 66 -3.000 13.216 -2.544 507 1HD2 LEU 66 HD21 LEU 66 -5.057 14.894 -4.869 508 2HD2 LEU 66 HD22 LEU 66 -3.400 14.852 -5.474 509 3HD2 LEU 66 HD23 LEU 66 -3.705 15.093 -3.754 510 H PHE 67 HN PHE 67 -0.028 11.038 -5.672 511 HA PHE 67 HA PHE 67 0.064 9.291 -3.466 512 1HB PHE 67 HB2 PHE 67 0.751 8.877 -5.951 513 2HB PHE 67 HB1 PHE 67 2.332 9.442 -5.435 514 HD1 PHE 67 HD1 PHE 67 3.658 8.117 -3.822 515 HD2 PHE 67 HD2 PHE 67 -0.099 6.758 -5.293 516 HE1 PHE 67 HE1 PHE 67 4.161 5.853 -3.026 517 HE2 PHE 67 HE2 PHE 67 0.406 4.492 -4.498 518 HZ PHE 67 HZ PHE 67 2.537 4.034 -3.359 519 H GLU 68 HN GLU 68 2.508 11.579 -4.657 520 HA GLU 68 HA GLU 68 4.529 11.283 -2.881 521 1HB GLU 68 HB2 GLU 68 3.397 13.879 -3.937 522 2HB GLU 68 HB1 GLU 68 4.962 13.731 -3.148 523 1HG GLU 68 HG2 GLU 68 5.643 12.133 -4.911 524 2HG GLU 68 HG1 GLU 68 4.112 12.442 -5.728 525 H GLN 69 HN GLN 69 1.538 13.105 -2.283 526 HA GLN 69 HA GLN 69 2.186 14.240 0.170 527 1HB GLN 69 HB2 GLN 69 -0.450 13.268 -0.924 528 2HB GLN 69 HB1 GLN 69 -0.314 14.132 0.601 529 1HG GLN 69 HG2 GLN 69 0.905 15.929 -0.776 530 2HG GLN 69 HG1 GLN 69 0.194 15.120 -2.172 531 1HE2 GLN 69 HE21 GLN 69 -0.322 17.236 0.449 532 2HE2 GLN 69 HE22 GLN 69 -1.995 17.555 0.163 533 H HIS 70 HN HIS 70 0.196 11.335 -0.246 534 HA HIS 70 HA HIS 70 0.385 10.528 2.452 535 1HB HIS 70 HB2 HIS 70 -0.104 8.700 0.091 536 2HB HIS 70 HB1 HIS 70 -0.612 8.448 1.759 537 HD2 HIS 70 HD2 HIS 70 -2.124 9.628 -1.437 538 HE1 HIS 70 HE1 HIS 70 -4.360 11.549 1.614 539 HE2 HIS 70 HE2 HIS 70 -4.234 11.001 -0.843 540 H TYR 71 HN TYR 71 2.098 9.428 -0.446 541 HA TYR 71 HA TYR 71 3.785 7.575 0.789 542 1HB TYR 71 HB2 TYR 71 3.621 7.418 -1.529 543 2HB TYR 71 HB1 TYR 71 3.866 9.140 -1.764 544 HD1 TYR 71 HD1 TYR 71 5.794 9.681 -2.840 545 HD2 TYR 71 HD2 TYR 71 5.803 6.304 -0.256 546 HE1 TYR 71 HE1 TYR 71 8.147 9.272 -3.400 547 HE2 TYR 71 HE2 TYR 71 8.163 5.884 -0.805 548 HH TYR 71 HH TYR 71 10.158 7.420 -1.662 549 H LYS 72 HN LYS 72 3.772 10.961 1.068 550 HA LYS 72 HA LYS 72 6.563 11.405 1.404 551 1HB LYS 72 HB2 LYS 72 4.275 13.009 1.281 552 2HB LYS 72 HB1 LYS 72 4.905 13.257 2.899 553 1HG LYS 72 HG2 LYS 72 6.586 13.503 0.421 554 2HG LYS 72 HG1 LYS 72 5.731 14.858 1.162 555 1HD LYS 72 HD2 LYS 72 7.008 14.701 3.146 556 2HD LYS 72 HD1 LYS 72 7.649 13.120 2.693 557 1HE LYS 72 HE2 LYS 72 9.384 14.695 2.327 558 2HE LYS 72 HE1 LYS 72 8.759 14.242 0.741 559 1HZ LYS 72 HZ1 LYS 72 7.571 16.272 0.589 560 2HZ LYS 72 HZ2 LYS 72 9.144 16.667 1.066 561 3HZ LYS 72 HZ3 LYS 72 7.892 16.672 2.202 562 H GLU 73 HN GLU 73 3.890 11.232 3.763 563 HA GLU 73 HA GLU 73 5.381 11.378 6.087 564 1HB GLU 73 HB2 GLU 73 2.845 9.825 5.546 565 2HB GLU 73 HB1 GLU 73 3.525 10.053 7.151 566 1HG GLU 73 HG2 GLU 73 1.956 11.714 7.073 567 2HG GLU 73 HG1 GLU 73 3.406 12.577 6.558 568 H ALA 74 HN ALA 74 4.600 8.568 4.122 569 HA ALA 74 HA ALA 74 5.840 6.676 5.838 570 1HB ALA 74 HB1 ALA 74 5.504 6.170 2.927 571 2HB ALA 74 HB2 ALA 74 4.069 6.403 3.923 572 3HB ALA 74 HB3 ALA 74 5.202 5.104 4.302 573 H SER 75 HN SER 75 6.922 8.648 3.146 574 HA SER 75 HA SER 75 9.313 7.350 2.527 575 1HB SER 75 HB2 SER 75 8.864 9.016 1.009 576 2HB SER 75 HB1 SER 75 8.318 10.147 2.246 577 HG SER 75 HG SER 75 10.627 10.157 1.084 578 H ALA 76 HN ALA 76 8.761 10.027 4.814 579 HA ALA 76 HA ALA 76 11.284 10.339 5.843 580 1HB ALA 76 HB1 ALA 76 9.292 10.342 7.966 581 2HB ALA 76 HB2 ALA 76 8.764 11.226 6.535 582 3HB ALA 76 HB3 ALA 76 10.274 11.664 7.333 583 H ALA 77 HN ALA 77 8.912 7.875 6.656 584 HA ALA 77 HA ALA 77 10.573 6.629 8.657 585 1HB ALA 77 HB1 ALA 77 8.368 5.108 7.387 586 2HB ALA 77 HB2 ALA 77 7.938 6.559 8.291 587 3HB ALA 77 HB3 ALA 77 8.812 5.250 9.087 588 H TYR 78 HN TYR 78 10.029 6.359 5.258 589 HA TYR 78 HA TYR 78 10.922 3.850 4.582 590 1HB TYR 78 HB2 TYR 78 10.133 5.826 3.103 591 2HB TYR 78 HB1 TYR 78 11.826 6.288 3.065 592 HD1 TYR 78 HD1 TYR 78 9.932 5.450 0.758 593 HD2 TYR 78 HD2 TYR 78 12.857 3.346 3.015 594 HE1 TYR 78 HE1 TYR 78 10.280 3.921 -1.139 595 HE2 TYR 78 HE2 TYR 78 13.212 1.813 1.143 596 HH TYR 78 HH TYR 78 12.907 1.670 -1.208 597 H GLU 79 HN GLU 79 12.932 6.770 4.929 598 HA GLU 79 HA GLU 79 15.416 5.477 4.614 599 1HB GLU 79 HB2 GLU 79 14.512 8.109 5.689 600 2HB GLU 79 HB1 GLU 79 16.162 7.598 6.023 601 1HG GLU 79 HG2 GLU 79 15.823 7.120 3.309 602 2HG GLU 79 HG1 GLU 79 15.009 8.658 3.598 603 H SER 80 HN SER 80 13.650 6.428 7.539 604 HA SER 80 HA SER 80 15.518 5.575 9.403 605 1HB SER 80 HB2 SER 80 12.617 6.174 9.429 606 2HB SER 80 HB1 SER 80 13.230 5.207 10.772 607 HG SER 80 HG SER 80 13.282 7.587 10.996 608 H PHE 81 HN PHE 81 12.774 3.819 7.996 609 HA PHE 81 HA PHE 81 13.239 1.429 9.441 610 1HB PHE 81 HB2 PHE 81 11.267 2.403 7.685 611 2HB PHE 81 HB1 PHE 81 11.893 0.932 6.943 612 HD1 PHE 81 HD1 PHE 81 9.670 2.268 9.349 613 HD2 PHE 81 HD2 PHE 81 12.047 -1.150 8.464 614 HE1 PHE 81 HE1 PHE 81 8.291 0.920 10.876 615 HE2 PHE 81 HE2 PHE 81 10.671 -2.506 9.990 616 HZ PHE 81 HZ PHE 81 8.791 -1.471 11.198 617 H LYS 82 HN LYS 82 14.201 2.538 6.218 618 HA LYS 82 HA LYS 82 15.345 0.100 5.364 619 1HB LYS 82 HB2 LYS 82 15.311 2.880 4.442 620 2HB LYS 82 HB1 LYS 82 16.813 2.049 4.071 621 1HG LYS 82 HG2 LYS 82 14.528 0.396 3.457 622 2HG LYS 82 HG1 LYS 82 14.443 1.951 2.631 623 1HD LYS 82 HD2 LYS 82 17.113 0.846 2.516 624 2HD LYS 82 HD1 LYS 82 15.926 -0.284 1.865 625 1HE LYS 82 HE2 LYS 82 15.041 1.608 0.468 626 2HE LYS 82 HE1 LYS 82 16.429 2.558 1.000 627 1HZ LYS 82 HZ1 LYS 82 17.898 0.943 0.007 628 2HZ LYS 82 HZ2 LYS 82 16.797 1.487 -1.155 629 3HZ LYS 82 HZ3 LYS 82 16.592 -0.034 -0.444 630 H LYS 83 HN LYS 83 16.826 3.014 6.765 631 HA LYS 83 HA LYS 83 19.431 1.901 6.915 632 1HB LYS 83 HB2 LYS 83 18.253 4.211 8.469 633 2HB LYS 83 HB1 LYS 83 19.966 3.848 8.306 634 1HG LYS 83 HG2 LYS 83 19.817 4.234 5.895 635 2HG LYS 83 HG1 LYS 83 18.103 4.613 6.063 636 1HD LYS 83 HD2 LYS 83 18.661 6.732 6.443 637 2HD LYS 83 HD1 LYS 83 19.441 6.220 7.940 638 1HE LYS 83 HE2 LYS 83 21.514 5.782 6.661 639 2HE LYS 83 HE1 LYS 83 20.720 6.405 5.214 640 1HZ LYS 83 HZ1 LYS 83 21.875 7.830 7.432 641 2HZ LYS 83 HZ2 LYS 83 20.335 8.387 7.009 642 3HZ LYS 83 HZ3 LYS 83 21.570 8.353 5.853 643 H GLU 84 HN GLU 84 16.874 2.372 9.350 644 HA GLU 84 HA GLU 84 18.408 0.847 11.301 645 1HB GLU 84 HB2 GLU 84 16.955 2.975 11.743 646 2HB GLU 84 HB1 GLU 84 15.617 1.834 11.765 647 1HG GLU 84 HG2 GLU 84 16.944 0.541 13.498 648 2HG GLU 84 HG1 GLU 84 17.981 1.962 13.606 649 H GLN 85 HN GLN 85 17.765 -0.713 9.130 650 HA GLN 85 HA GLN 85 15.342 -2.175 9.544 651 1HB GLN 85 HB2 GLN 85 17.374 -2.027 7.556 652 2HB GLN 85 HB1 GLN 85 17.232 -3.709 8.049 653 1HG GLN 85 HG2 GLN 85 15.039 -3.868 7.336 654 2HG GLN 85 HG1 GLN 85 14.789 -2.124 7.384 655 1HE2 GLN 85 HE21 GLN 85 14.146 -1.797 5.324 656 2HE2 GLN 85 HE22 GLN 85 15.133 -2.100 3.939 657 H GLU 86 HN GLU 86 15.521 -2.749 11.780 658 HA GLU 86 HA GLU 86 17.659 -4.326 12.774 659 1HB GLU 86 HB2 GLU 86 14.902 -3.690 13.772 660 2HB GLU 86 HB1 GLU 86 15.913 -4.859 14.610 661 1HG GLU 86 HG2 GLU 86 17.312 -2.382 14.026 662 2HG GLU 86 HG1 GLU 86 15.879 -2.143 15.024 663 H GLN 87 HN GLN 87 14.912 -5.069 10.878 664 HA GLN 87 HA GLN 87 14.824 -7.861 11.638 665 1HB GLN 87 HB2 GLN 87 13.018 -6.086 10.461 666 2HB GLN 87 HB1 GLN 87 13.429 -7.212 9.175 667 1HG GLN 87 HG2 GLN 87 12.869 -8.500 11.735 668 2HG GLN 87 HG1 GLN 87 11.508 -7.597 11.072 669 1HE2 GLN 87 HE21 GLN 87 13.537 -10.351 10.756 670 2HE2 GLN 87 HE22 GLN 87 12.700 -11.095 9.441 671 H GLN 88 HN GLN 88 16.326 -5.874 9.225 672 HA GLN 88 HA GLN 88 17.013 -8.131 7.532 673 1HB GLN 88 HB2 GLN 88 16.484 -5.668 6.806 674 2HB GLN 88 HB1 GLN 88 18.173 -5.388 7.207 675 1HG GLN 88 HG2 GLN 88 18.569 -5.967 5.094 676 2HG GLN 88 HG1 GLN 88 18.341 -7.620 5.660 677 1HE2 GLN 88 HE21 GLN 88 17.851 -6.395 3.030 678 2HE2 GLN 88 HE22 GLN 88 16.194 -6.723 2.665 679 H THR 89 HN THR 89 18.348 -9.414 8.785 680 HA THR 89 HA THR 89 20.785 -8.217 9.874 681 HB THR 89 HB THR 89 20.324 -11.121 10.185 682 HG1 THR 89 HG1 THR 89 18.588 -9.186 11.301 683 1HG2 THR 89 HG21 THR 89 20.787 -10.554 12.573 684 2HG2 THR 89 HG22 THR 89 21.064 -8.892 12.055 685 3HG2 THR 89 HG23 THR 89 22.095 -10.189 11.449 686 H GLU 90 HN GLU 90 20.360 -8.543 6.990 687 HA GLU 90 HA GLU 90 22.018 -10.736 6.145 688 1HB GLU 90 HB2 GLU 90 20.119 -9.142 4.917 689 2HB GLU 90 HB1 GLU 90 21.626 -8.592 4.197 690 1HG GLU 90 HG2 GLU 90 21.809 -11.360 4.162 691 2HG GLU 90 HG1 GLU 90 20.133 -11.018 3.737 692 H GLN 91 HN GLN 91 23.764 -9.993 4.383 693 HA GLN 91 HA GLN 91 25.646 -8.316 5.879 694 1HB GLN 91 HB2 GLN 91 27.312 -9.332 4.215 695 2HB GLN 91 HB1 GLN 91 26.635 -10.396 5.440 696 1HG GLN 91 HG2 GLN 91 25.454 -11.611 3.934 697 2HG GLN 91 HG1 GLN 91 25.225 -10.246 2.842 698 1HE2 GLN 91 HE21 GLN 91 26.923 -13.074 3.421 699 2HE2 GLN 91 HE22 GLN 91 28.146 -12.896 2.214 700 H ALA 92 HN ALA 92 27.129 -6.939 4.585 701 HA ALA 92 HA ALA 92 25.573 -5.440 2.622 702 1HB ALA 92 HB1 ALA 92 28.238 -4.479 3.471 703 2HB ALA 92 HB2 ALA 92 26.980 -4.545 4.706 704 3HB ALA 92 HB3 ALA 92 26.730 -3.593 3.243 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -9.896 -38.987 1.540 2 2H GLY 1 HT2 GLY 1 -8.515 -38.021 1.397 3 3H GLY 1 HT3 GLY 1 -9.997 -37.471 0.795 4 1HA GLY 1 HA1 GLY 1 -9.236 -37.854 3.636 5 2HA GLY 1 HA2 GLY 1 -9.595 -36.333 2.831 6 HA PRO 2 HA PRO 2 -13.476 -38.448 4.662 7 1HB PRO 2 HB2 PRO 2 -13.671 -37.178 7.054 8 2HB PRO 2 HB1 PRO 2 -12.838 -38.722 6.847 9 1HG PRO 2 HG2 PRO 2 -11.705 -35.968 7.057 10 2HG PRO 2 HG1 PRO 2 -11.102 -37.485 7.744 11 1HD PRO 2 HD2 PRO 2 -10.073 -36.333 5.493 12 2HD PRO 2 HD1 PRO 2 -10.034 -38.079 5.806 13 H LEU 3 HN LEU 3 -12.259 -35.137 4.833 14 HA LEU 3 HA LEU 3 -14.979 -34.109 4.469 15 1HB LEU 3 HB2 LEU 3 -13.795 -31.860 4.752 16 2HB LEU 3 HB1 LEU 3 -13.935 -32.892 6.162 17 HG LEU 3 HG LEU 3 -11.445 -33.238 4.627 18 1HD1 LEU 3 HD11 LEU 3 -10.502 -31.199 4.920 19 2HD1 LEU 3 HD12 LEU 3 -11.454 -30.843 6.361 20 3HD1 LEU 3 HD13 LEU 3 -12.177 -30.673 4.762 21 1HD2 LEU 3 HD21 LEU 3 -10.569 -33.742 6.675 22 2HD2 LEU 3 HD22 LEU 3 -12.265 -34.122 6.977 23 3HD2 LEU 3 HD23 LEU 3 -11.597 -32.585 7.523 24 H GLY 4 HN GLY 4 -15.667 -33.263 2.590 25 1HA GLY 4 HA2 GLY 4 -13.900 -33.488 0.293 26 2HA GLY 4 HA1 GLY 4 -15.627 -33.175 0.254 27 H SER 5 HN SER 5 -12.456 -31.735 0.709 28 HA SER 5 HA SER 5 -13.571 -29.048 0.685 29 1HB SER 5 HB2 SER 5 -11.264 -30.171 1.797 30 2HB SER 5 HB1 SER 5 -10.677 -29.161 0.478 31 HG SER 5 HG SER 5 -12.416 -27.658 1.595 32 HA PRO 6 HA PRO 6 -11.172 -28.917 -3.444 33 1HB PRO 6 HB2 PRO 6 -9.853 -31.068 -4.344 34 2HB PRO 6 HB1 PRO 6 -9.147 -29.991 -3.133 35 1HG PRO 6 HG2 PRO 6 -10.470 -32.646 -2.765 36 2HG PRO 6 HG1 PRO 6 -9.010 -32.006 -1.991 37 1HD PRO 6 HD2 PRO 6 -11.500 -32.029 -0.825 38 2HD PRO 6 HD1 PRO 6 -10.208 -30.894 -0.389 39 H ARG 7 HN ARG 7 -13.272 -31.436 -2.572 40 HA ARG 7 HA ARG 7 -13.945 -32.124 -5.325 41 1HB ARG 7 HB2 ARG 7 -14.962 -33.176 -2.682 42 2HB ARG 7 HB1 ARG 7 -15.534 -33.730 -4.249 43 1HG ARG 7 HG2 ARG 7 -13.645 -34.909 -4.681 44 2HG ARG 7 HG1 ARG 7 -12.615 -33.805 -3.771 45 1HD ARG 7 HD2 ARG 7 -12.581 -35.422 -2.224 46 2HD ARG 7 HD1 ARG 7 -14.191 -34.847 -1.804 47 HE ARG 7 HE ARG 7 -13.594 -37.173 -3.510 48 1HH1 ARG 7 HH11 ARG 7 -15.820 -35.380 -1.493 49 2HH1 ARG 7 HH12 ARG 7 -17.008 -36.637 -1.482 50 1HH2 ARG 7 HH21 ARG 7 -15.161 -38.815 -3.494 51 2HH2 ARG 7 HH22 ARG 7 -16.637 -38.584 -2.618 52 H ASN 8 HN ASN 8 -14.458 -29.432 -4.184 53 HA ASN 8 HA ASN 8 -17.368 -29.334 -4.047 54 1HB ASN 8 HB2 ASN 8 -15.201 -27.293 -3.573 55 2HB ASN 8 HB1 ASN 8 -16.901 -26.842 -3.670 56 1HD2 ASN 8 HD21 ASN 8 -15.107 -26.601 -1.428 57 2HD2 ASN 8 HD22 ASN 8 -15.790 -27.531 -0.143 58 H ALA 9 HN ALA 9 -18.604 -28.865 -5.741 59 HA ALA 9 HA ALA 9 -17.383 -28.224 -8.278 60 1HB ALA 9 HB1 ALA 9 -19.433 -28.738 -9.259 61 2HB ALA 9 HB2 ALA 9 -20.337 -28.364 -7.793 62 3HB ALA 9 HB3 ALA 9 -19.351 -29.824 -7.872 63 H ASN 10 HN ASN 10 -16.591 -26.119 -7.311 64 HA ASN 10 HA ASN 10 -18.647 -24.037 -7.287 65 1HB ASN 10 HB2 ASN 10 -16.243 -24.448 -5.828 66 2HB ASN 10 HB1 ASN 10 -16.028 -22.990 -6.793 67 1HD2 ASN 10 HD21 ASN 10 -17.599 -21.299 -6.571 68 2HD2 ASN 10 HD22 ASN 10 -18.448 -21.106 -5.078 69 H ASP 11 HN ASP 11 -19.072 -23.038 -9.127 70 HA ASP 11 HA ASP 11 -17.122 -23.031 -11.283 71 1HB ASP 11 HB2 ASP 11 -18.936 -22.170 -12.669 72 2HB ASP 11 HB1 ASP 11 -19.481 -23.581 -11.766 73 H ASN 12 HN ASN 12 -17.924 -21.029 -8.709 74 HA ASN 12 HA ASN 12 -17.453 -18.516 -10.044 75 1HB ASN 12 HB2 ASN 12 -18.706 -19.250 -7.685 76 2HB ASN 12 HB1 ASN 12 -17.222 -18.477 -7.135 77 1HD2 ASN 12 HD21 ASN 12 -17.528 -16.433 -6.679 78 2HD2 ASN 12 HD22 ASN 12 -18.549 -15.334 -7.537 79 H ASN 13 HN ASN 13 -15.738 -17.040 -9.348 80 HA ASN 13 HA ASN 13 -13.373 -18.208 -8.161 81 1HB ASN 13 HB2 ASN 13 -13.660 -17.828 -11.061 82 2HB ASN 13 HB1 ASN 13 -12.211 -17.093 -10.383 83 1HD2 ASN 13 HD21 ASN 13 -10.512 -18.348 -10.404 84 2HD2 ASN 13 HD22 ASN 13 -10.508 -20.072 -10.299 85 H GLN 14 HN GLN 14 -12.623 -16.723 -6.809 86 HA GLN 14 HA GLN 14 -13.366 -13.944 -7.138 87 1HB GLN 14 HB2 GLN 14 -12.993 -15.521 -4.940 88 2HB GLN 14 HB1 GLN 14 -11.478 -14.628 -4.987 89 1HG GLN 14 HG2 GLN 14 -12.572 -13.058 -3.852 90 2HG GLN 14 HG1 GLN 14 -13.323 -12.655 -5.396 91 1HE2 GLN 14 HE21 GLN 14 -13.697 -14.672 -2.525 92 2HE2 GLN 14 HE22 GLN 14 -15.425 -14.685 -2.537 93 H PHE 15 HN PHE 15 -11.236 -15.528 -8.784 94 HA PHE 15 HA PHE 15 -8.860 -13.953 -8.305 95 1HB PHE 15 HB2 PHE 15 -9.497 -16.425 -9.639 96 2HB PHE 15 HB1 PHE 15 -8.595 -15.373 -10.725 97 HD1 PHE 15 HD1 PHE 15 -8.256 -17.893 -8.410 98 HD2 PHE 15 HD2 PHE 15 -6.557 -14.132 -9.446 99 HE1 PHE 15 HE1 PHE 15 -6.165 -18.532 -7.283 100 HE2 PHE 15 HE2 PHE 15 -4.461 -14.764 -8.323 101 HZ PHE 15 HZ PHE 15 -4.264 -16.967 -7.240 102 H TYR 16 HN TYR 16 -11.689 -13.737 -10.206 103 HA TYR 16 HA TYR 16 -10.437 -11.958 -12.154 104 1HB TYR 16 HB2 TYR 16 -12.088 -13.745 -12.843 105 2HB TYR 16 HB1 TYR 16 -13.334 -12.804 -12.033 106 HD1 TYR 16 HD1 TYR 16 -13.495 -10.286 -12.797 107 HD2 TYR 16 HD2 TYR 16 -11.705 -13.389 -15.094 108 HE1 TYR 16 HE1 TYR 16 -13.816 -8.953 -14.838 109 HE2 TYR 16 HE2 TYR 16 -12.019 -12.062 -17.141 110 HH TYR 16 HH TYR 16 -13.996 -9.305 -17.259 111 H GLN 17 HN GLN 17 -13.168 -11.918 -9.863 112 HA GLN 17 HA GLN 17 -13.760 -9.184 -10.149 113 1HB GLN 17 HB2 GLN 17 -14.249 -11.034 -7.809 114 2HB GLN 17 HB1 GLN 17 -14.972 -9.442 -7.996 115 1HG GLN 17 HG2 GLN 17 -16.092 -10.187 -10.030 116 2HG GLN 17 HG1 GLN 17 -15.363 -11.782 -9.848 117 1HE2 GLN 17 HE21 GLN 17 -17.430 -12.723 -9.766 118 2HE2 GLN 17 HE22 GLN 17 -18.410 -12.625 -8.347 119 H GLN 18 HN GLN 18 -11.936 -10.864 -7.589 120 HA GLN 18 HA GLN 18 -11.132 -8.472 -6.294 121 1HB GLN 18 HB2 GLN 18 -11.223 -10.945 -5.431 122 2HB GLN 18 HB1 GLN 18 -9.577 -11.017 -6.049 123 1HG GLN 18 HG2 GLN 18 -8.805 -9.997 -4.247 124 2HG GLN 18 HG1 GLN 18 -9.906 -8.641 -4.493 125 1HE2 GLN 18 HE21 GLN 18 -9.497 -11.761 -2.970 126 2HE2 GLN 18 HE22 GLN 18 -10.746 -11.567 -1.792 127 H LYS 19 HN LYS 19 -10.026 -10.000 -9.132 128 HA LYS 19 HA LYS 19 -7.294 -9.435 -9.080 129 1HB LYS 19 HB2 LYS 19 -9.036 -10.540 -10.904 130 2HB LYS 19 HB1 LYS 19 -8.532 -9.059 -11.705 131 1HG LYS 19 HG2 LYS 19 -6.146 -9.996 -10.851 132 2HG LYS 19 HG1 LYS 19 -7.014 -11.506 -11.126 133 1HD LYS 19 HD2 LYS 19 -6.701 -9.270 -13.130 134 2HD LYS 19 HD1 LYS 19 -5.780 -10.774 -13.121 135 1HE LYS 19 HE2 LYS 19 -8.234 -11.805 -13.101 136 2HE LYS 19 HE1 LYS 19 -8.600 -10.270 -13.887 137 1HZ LYS 19 HZ1 LYS 19 -6.273 -11.488 -14.994 138 2HZ LYS 19 HZ2 LYS 19 -7.688 -10.980 -15.768 139 3HZ LYS 19 HZ3 LYS 19 -7.607 -12.526 -15.088 140 H GLN 20 HN GLN 20 -10.023 -7.375 -9.590 141 HA GLN 20 HA GLN 20 -8.653 -5.219 -10.828 142 1HB GLN 20 HB2 GLN 20 -11.315 -5.658 -9.607 143 2HB GLN 20 HB1 GLN 20 -10.753 -3.993 -9.657 144 1HG GLN 20 HG2 GLN 20 -10.419 -4.189 -12.077 145 2HG GLN 20 HG1 GLN 20 -11.019 -5.846 -12.014 146 1HE2 GLN 20 HE21 GLN 20 -11.829 -2.538 -12.145 147 2HE2 GLN 20 HE22 GLN 20 -13.548 -2.717 -12.130 148 H ARG 21 HN ARG 21 -9.804 -5.648 -7.482 149 HA ARG 21 HA ARG 21 -8.751 -3.337 -6.388 150 1HB ARG 21 HB2 ARG 21 -9.157 -6.054 -5.165 151 2HB ARG 21 HB1 ARG 21 -8.745 -4.619 -4.234 152 1HG ARG 21 HG2 ARG 21 -10.804 -3.663 -4.524 153 2HG ARG 21 HG1 ARG 21 -11.097 -4.496 -6.050 154 1HD ARG 21 HD2 ARG 21 -11.975 -6.313 -5.041 155 2HD ARG 21 HD1 ARG 21 -10.870 -6.221 -3.669 156 HE ARG 21 HE ARG 21 -12.427 -4.143 -3.166 157 1HH1 ARG 21 HH11 ARG 21 -13.312 -7.367 -4.192 158 2HH1 ARG 21 HH12 ARG 21 -14.857 -7.317 -3.413 159 1HH2 ARG 21 HH21 ARG 21 -14.453 -4.087 -2.146 160 2HH2 ARG 21 HH22 ARG 21 -15.505 -5.459 -2.251 161 H GLN 22 HN GLN 22 -7.248 -6.569 -6.252 162 HA GLN 22 HA GLN 22 -4.807 -5.674 -5.198 163 1HB GLN 22 HB2 GLN 22 -5.683 -8.052 -5.266 164 2HB GLN 22 HB1 GLN 22 -5.150 -8.108 -6.941 165 1HG GLN 22 HG2 GLN 22 -2.858 -7.613 -6.202 166 2HG GLN 22 HG1 GLN 22 -3.412 -7.638 -4.529 167 1HE2 GLN 22 HE21 GLN 22 -2.044 -9.425 -6.951 168 2HE2 GLN 22 HE22 GLN 22 -2.351 -11.011 -6.337 169 H ALA 23 HN ALA 23 -6.084 -5.462 -8.381 170 HA ALA 23 HA ALA 23 -3.611 -5.435 -9.799 171 1HB ALA 23 HB1 ALA 23 -6.335 -4.375 -10.520 172 2HB ALA 23 HB2 ALA 23 -5.568 -5.864 -11.070 173 3HB ALA 23 HB3 ALA 23 -4.948 -4.304 -11.603 174 H LEU 24 HN LEU 24 -5.831 -2.669 -9.417 175 HA LEU 24 HA LEU 24 -3.855 -0.748 -9.861 176 1HB LEU 24 HB2 LEU 24 -6.622 -0.767 -8.827 177 2HB LEU 24 HB1 LEU 24 -5.671 0.660 -8.474 178 HG LEU 24 HG LEU 24 -6.968 1.013 -10.480 179 1HD1 LEU 24 HD11 LEU 24 -4.014 0.871 -10.622 180 2HD1 LEU 24 HD12 LEU 24 -5.102 2.240 -10.847 181 3HD1 LEU 24 HD13 LEU 24 -4.875 1.072 -12.148 182 1HD2 LEU 24 HD21 LEU 24 -5.735 -1.590 -11.287 183 2HD2 LEU 24 HD22 LEU 24 -6.332 -0.450 -12.495 184 3HD2 LEU 24 HD23 LEU 24 -7.434 -1.113 -11.286 185 H GLY 25 HN GLY 25 -5.013 -2.249 -6.885 186 1HA GLY 25 HA2 GLY 25 -3.755 -0.528 -5.058 187 2HA GLY 25 HA1 GLY 25 -4.143 -2.218 -4.755 188 H GLU 26 HN GLU 26 -2.537 -3.270 -6.907 189 HA GLU 26 HA GLU 26 -0.103 -3.630 -5.590 190 1HB GLU 26 HB2 GLU 26 -1.336 -4.664 -7.874 191 2HB GLU 26 HB1 GLU 26 0.153 -3.945 -8.466 192 1HG GLU 26 HG2 GLU 26 0.751 -5.391 -6.101 193 2HG GLU 26 HG1 GLU 26 -0.226 -6.421 -7.146 194 H GLN 27 HN GLN 27 -1.144 -1.274 -7.971 195 HA GLN 27 HA GLN 27 1.331 -0.234 -8.707 196 1HB GLN 27 HB2 GLN 27 -1.417 0.904 -8.587 197 2HB GLN 27 HB1 GLN 27 -0.060 1.955 -8.960 198 1HG GLN 27 HG2 GLN 27 -1.133 1.139 -10.983 199 2HG GLN 27 HG1 GLN 27 0.526 0.558 -10.853 200 1HE2 GLN 27 HE21 GLN 27 -2.575 -0.315 -11.565 201 2HE2 GLN 27 HE22 GLN 27 -2.442 -2.025 -11.355 202 H LEU 28 HN LEU 28 -0.619 0.301 -5.860 203 HA LEU 28 HA LEU 28 0.679 2.544 -4.802 204 1HB LEU 28 HB2 LEU 28 -1.369 1.030 -3.967 205 2HB LEU 28 HB1 LEU 28 -0.115 0.365 -2.940 206 HG LEU 28 HG LEU 28 0.349 2.651 -2.085 207 1HD1 LEU 28 HD11 LEU 28 -2.206 3.485 -3.412 208 2HD1 LEU 28 HD12 LEU 28 -0.631 3.743 -4.165 209 3HD1 LEU 28 HD13 LEU 28 -0.995 4.481 -2.609 210 1HD2 LEU 28 HD21 LEU 28 -2.220 1.224 -1.727 211 2HD2 LEU 28 HD22 LEU 28 -2.104 2.850 -1.053 212 3HD2 LEU 28 HD23 LEU 28 -0.959 1.606 -0.553 213 H TYR 29 HN TYR 29 1.411 -0.888 -4.479 214 HA TYR 29 HA TYR 29 3.652 -0.542 -2.782 215 1HB TYR 29 HB2 TYR 29 2.414 -2.609 -2.798 216 2HB TYR 29 HB1 TYR 29 2.767 -2.853 -4.505 217 HD1 TYR 29 HD1 TYR 29 4.253 -4.539 -4.889 218 HD2 TYR 29 HD2 TYR 29 4.787 -2.109 -1.439 219 HE1 TYR 29 HE1 TYR 29 6.257 -5.830 -4.298 220 HE2 TYR 29 HE2 TYR 29 6.799 -3.391 -0.839 221 HH TYR 29 HH TYR 29 7.535 -6.056 -1.522 222 H LYS 30 HN LYS 30 3.484 -1.426 -6.261 223 HA LYS 30 HA LYS 30 6.246 -1.447 -6.686 224 1HB LYS 30 HB2 LYS 30 5.698 -1.118 -9.097 225 2HB LYS 30 HB1 LYS 30 4.802 -2.419 -8.328 226 1HG LYS 30 HG2 LYS 30 3.016 -0.516 -7.976 227 2HG LYS 30 HG1 LYS 30 3.848 0.191 -9.364 228 1HD LYS 30 HD2 LYS 30 2.916 -2.666 -9.380 229 2HD LYS 30 HD1 LYS 30 1.828 -1.348 -9.815 230 1HE LYS 30 HE2 LYS 30 2.738 -1.155 -11.834 231 2HE LYS 30 HE1 LYS 30 4.373 -1.123 -11.175 232 1HZ LYS 30 HZ1 LYS 30 4.648 -3.322 -11.512 233 2HZ LYS 30 HZ2 LYS 30 3.465 -3.088 -12.699 234 3HZ LYS 30 HZ3 LYS 30 3.032 -3.703 -11.184 235 H LYS 31 HN LYS 31 3.996 1.215 -6.565 236 HA LYS 31 HA LYS 31 5.581 3.182 -7.806 237 1HB LYS 31 HB2 LYS 31 3.085 3.211 -6.916 238 2HB LYS 31 HB1 LYS 31 3.842 3.925 -5.500 239 1HG LYS 31 HG2 LYS 31 3.981 5.893 -6.502 240 2HG LYS 31 HG1 LYS 31 4.820 5.184 -7.884 241 1HD LYS 31 HD2 LYS 31 2.290 4.352 -8.354 242 2HD LYS 31 HD1 LYS 31 1.980 5.889 -7.544 243 1HE LYS 31 HE2 LYS 31 4.024 5.784 -9.712 244 2HE LYS 31 HE1 LYS 31 2.317 5.765 -10.153 245 1HZ LYS 31 HZ1 LYS 31 3.652 7.837 -8.495 246 2HZ LYS 31 HZ2 LYS 31 2.014 7.820 -8.917 247 3HZ LYS 31 HZ3 LYS 31 3.194 8.013 -10.114 248 H VAL 32 HN VAL 32 5.552 1.884 -4.562 249 HA VAL 32 HA VAL 32 7.406 3.862 -3.544 250 HB VAL 32 HB VAL 32 6.630 1.231 -2.269 251 1HG1 VAL 32 HG11 VAL 32 7.233 2.547 -0.184 252 2HG1 VAL 32 HG12 VAL 32 7.985 3.718 -1.267 253 3HG1 VAL 32 HG13 VAL 32 8.570 2.055 -1.223 254 1HG2 VAL 32 HG21 VAL 32 4.996 2.515 -0.976 255 2HG2 VAL 32 HG22 VAL 32 4.635 2.568 -2.701 256 3HG2 VAL 32 HG23 VAL 32 5.384 3.957 -1.915 257 H SER 33 HN SER 33 7.510 0.391 -4.363 258 HA SER 33 HA SER 33 10.334 0.185 -3.957 259 1HB SER 33 HB2 SER 33 8.133 -1.597 -4.519 260 2HB SER 33 HB1 SER 33 9.491 -1.949 -5.589 261 HG SER 33 HG SER 33 10.725 -2.449 -3.890 262 H ALA 34 HN ALA 34 8.780 1.888 -6.221 263 HA ALA 34 HA ALA 34 9.745 1.061 -8.693 264 1HB ALA 34 HB1 ALA 34 9.654 3.961 -8.365 265 2HB ALA 34 HB2 ALA 34 8.208 3.137 -7.784 266 3HB ALA 34 HB3 ALA 34 8.741 2.910 -9.449 267 H LYS 35 HN LYS 35 11.479 2.303 -6.027 268 HA LYS 35 HA LYS 35 13.741 3.099 -7.725 269 1HB LYS 35 HB2 LYS 35 12.641 4.135 -5.305 270 2HB LYS 35 HB1 LYS 35 14.267 3.563 -4.958 271 1HG LYS 35 HG2 LYS 35 14.852 5.619 -5.638 272 2HG LYS 35 HG1 LYS 35 14.711 4.915 -7.249 273 1HD LYS 35 HD2 LYS 35 12.125 5.669 -6.642 274 2HD LYS 35 HD1 LYS 35 13.103 6.972 -5.964 275 1HE LYS 35 HE2 LYS 35 14.273 7.133 -8.162 276 2HE LYS 35 HE1 LYS 35 13.120 5.965 -8.805 277 1HZ LYS 35 HZ1 LYS 35 12.237 8.019 -9.377 278 2HZ LYS 35 HZ2 LYS 35 12.620 8.726 -7.889 279 3HZ LYS 35 HZ3 LYS 35 11.363 7.600 -7.991 280 H THR 36 HN THR 36 12.637 0.666 -5.550 281 HA THR 36 HA THR 36 14.926 -0.966 -6.072 282 HB THR 36 HB THR 36 15.964 0.267 -4.315 283 HG1 THR 36 HG1 THR 36 16.529 -1.686 -3.753 284 1HG2 THR 36 HG21 THR 36 14.442 1.442 -3.100 285 2HG2 THR 36 HG22 THR 36 14.774 0.120 -1.981 286 3HG2 THR 36 HG23 THR 36 13.321 0.084 -2.980 287 H SER 37 HN SER 37 14.608 -3.147 -5.450 288 HA SER 37 HA SER 37 11.808 -3.841 -5.133 289 1HB SER 37 HB2 SER 37 12.777 -6.221 -5.382 290 2HB SER 37 HB1 SER 37 12.869 -5.147 -6.779 291 HG SER 37 HG SER 37 14.924 -5.873 -4.976 292 H ASN 38 HN ASN 38 12.889 -2.619 -2.871 293 HA ASN 38 HA ASN 38 13.592 -4.627 -0.931 294 1HB ASN 38 HB2 ASN 38 13.201 -1.666 -0.881 295 2HB ASN 38 HB1 ASN 38 13.115 -2.549 0.639 296 1HD2 ASN 38 HD21 ASN 38 14.950 -2.321 1.678 297 2HD2 ASN 38 HD22 ASN 38 16.531 -2.430 0.992 298 H GLU 39 HN GLU 39 11.936 -6.075 -0.711 299 HA GLU 39 HA GLU 39 9.211 -5.497 -0.685 300 1HB GLU 39 HB2 GLU 39 10.634 -7.751 0.739 301 2HB GLU 39 HB1 GLU 39 8.917 -7.697 0.359 302 1HG GLU 39 HG2 GLU 39 9.501 -7.609 -2.047 303 2HG GLU 39 HG1 GLU 39 11.196 -7.803 -1.604 304 H GLU 40 HN GLU 40 11.593 -5.211 1.820 305 HA GLU 40 HA GLU 40 9.632 -4.918 3.928 306 1HB GLU 40 HB2 GLU 40 12.621 -4.845 3.771 307 2HB GLU 40 HB1 GLU 40 11.814 -4.159 5.174 308 1HG GLU 40 HG2 GLU 40 10.819 -6.797 4.473 309 2HG GLU 40 HG1 GLU 40 12.542 -6.781 4.848 310 H ALA 41 HN ALA 41 11.367 -2.933 1.711 311 HA ALA 41 HA ALA 41 11.119 -0.467 3.124 312 1HB ALA 41 HB1 ALA 41 12.845 -0.617 1.506 313 2HB ALA 41 HB2 ALA 41 11.648 0.502 0.862 314 3HB ALA 41 HB3 ALA 41 11.712 -1.144 0.260 315 H ALA 42 HN ALA 42 9.697 -1.338 0.001 316 HA ALA 42 HA ALA 42 7.702 0.605 0.067 317 1HB ALA 42 HB1 ALA 42 8.093 -1.883 -1.545 318 2HB ALA 42 HB2 ALA 42 8.199 -0.195 -2.048 319 3HB ALA 42 HB3 ALA 42 6.625 -0.921 -1.714 320 H GLY 43 HN GLY 43 7.802 -2.635 1.378 321 1HA GLY 43 HA2 GLY 43 5.008 -2.957 1.739 322 2HA GLY 43 HA1 GLY 43 6.267 -3.804 2.632 323 H LYS 44 HN LYS 44 7.445 -1.156 3.422 324 HA LYS 44 HA LYS 44 5.998 -0.868 5.882 325 1HB LYS 44 HB2 LYS 44 8.499 0.159 4.722 326 2HB LYS 44 HB1 LYS 44 7.691 1.287 5.801 327 1HG LYS 44 HG2 LYS 44 8.176 0.084 7.631 328 2HG LYS 44 HG1 LYS 44 7.888 -1.457 6.819 329 1HD LYS 44 HD2 LYS 44 10.127 -0.685 5.553 330 2HD LYS 44 HD1 LYS 44 10.375 0.103 7.105 331 1HE LYS 44 HE2 LYS 44 10.120 -2.002 8.264 332 2HE LYS 44 HE1 LYS 44 9.735 -2.818 6.750 333 1HZ LYS 44 HZ1 LYS 44 12.309 -1.982 7.803 334 2HZ LYS 44 HZ2 LYS 44 12.090 -1.755 6.143 335 3HZ LYS 44 HZ3 LYS 44 11.918 -3.296 6.817 336 H ILE 45 HN ILE 45 6.660 1.341 3.177 337 HA ILE 45 HA ILE 45 4.911 3.384 4.034 338 HB ILE 45 HB ILE 45 5.952 2.728 1.277 339 1HG1 ILE 45 HG12 ILE 45 6.875 4.898 3.166 340 2HG1 ILE 45 HG11 ILE 45 7.602 3.295 3.123 341 1HG2 ILE 45 HG21 ILE 45 4.526 4.233 0.489 342 2HG2 ILE 45 HG22 ILE 45 5.404 5.453 1.408 343 3HG2 ILE 45 HG23 ILE 45 3.992 4.669 2.112 344 1HD1 ILE 45 HD11 ILE 45 8.632 3.671 1.159 345 2HD1 ILE 45 HD12 ILE 45 8.534 5.339 1.730 346 3HD1 ILE 45 HD13 ILE 45 7.355 4.731 0.569 347 H THR 46 HN THR 46 4.506 0.576 1.941 348 HA THR 46 HA THR 46 1.995 1.140 0.873 349 HB THR 46 HB THR 46 3.253 -1.512 1.604 350 HG1 THR 46 HG1 THR 46 2.919 -0.349 -0.951 351 1HG2 THR 46 HG21 THR 46 0.594 -1.258 1.063 352 2HG2 THR 46 HG22 THR 46 1.568 -2.692 0.746 353 3HG2 THR 46 HG23 THR 46 1.274 -1.522 -0.541 354 H GLY 47 HN GLY 47 2.888 -0.339 3.969 355 1HA GLY 47 HA2 GLY 47 0.291 -1.027 4.810 356 2HA GLY 47 HA1 GLY 47 1.662 -0.729 5.870 357 H MET 48 HN MET 48 2.072 1.994 4.940 358 HA MET 48 HA MET 48 0.213 3.296 6.685 359 1HB MET 48 HB2 MET 48 2.088 4.708 4.798 360 2HB MET 48 HB1 MET 48 1.488 5.254 6.359 361 1HG MET 48 HG2 MET 48 2.776 3.065 7.161 362 2HG MET 48 HG1 MET 48 3.716 3.423 5.714 363 1HE MET 48 HE1 MET 48 5.484 3.255 7.476 364 2HE MET 48 HE2 MET 48 6.084 4.633 8.398 365 3HE MET 48 HE3 MET 48 6.196 4.633 6.638 366 H ILE 49 HN ILE 49 0.847 3.415 3.165 367 HA ILE 49 HA ILE 49 -1.433 5.072 2.654 368 HB ILE 49 HB ILE 49 -0.128 3.348 0.563 369 1HG1 ILE 49 HG12 ILE 49 0.878 6.101 1.203 370 2HG1 ILE 49 HG11 ILE 49 1.519 4.714 2.073 371 1HG2 ILE 49 HG21 ILE 49 -2.146 4.604 -0.047 372 2HG2 ILE 49 HG22 ILE 49 -0.728 5.197 -0.906 373 3HG2 ILE 49 HG23 ILE 49 -1.364 6.099 0.467 374 1HD1 ILE 49 HD11 ILE 49 2.875 5.410 0.123 375 2HD1 ILE 49 HD12 ILE 49 1.521 4.975 -0.921 376 3HD1 ILE 49 HD13 ILE 49 2.321 3.737 0.047 377 H LEU 50 HN LEU 50 -1.293 2.040 3.758 378 HA LEU 50 HA LEU 50 -3.173 0.692 2.088 379 1HB LEU 50 HB2 LEU 50 -1.425 -0.120 3.985 380 2HB LEU 50 HB1 LEU 50 -2.905 -0.105 4.924 381 HG LEU 50 HG LEU 50 -2.431 -2.323 4.009 382 1HD1 LEU 50 HD11 LEU 50 -4.602 -2.811 3.264 383 2HD1 LEU 50 HD12 LEU 50 -4.816 -1.205 2.569 384 3HD1 LEU 50 HD13 LEU 50 -4.779 -1.410 4.320 385 1HD2 LEU 50 HD21 LEU 50 -3.066 -2.192 1.335 386 2HD2 LEU 50 HD22 LEU 50 -1.450 -2.404 2.007 387 3HD2 LEU 50 HD23 LEU 50 -2.017 -0.793 1.566 388 H ASP 51 HN ASP 51 -3.601 3.382 3.800 389 HA ASP 51 HA ASP 51 -5.966 2.797 5.296 390 1HB ASP 51 HB2 ASP 51 -4.187 5.023 4.943 391 2HB ASP 51 HB1 ASP 51 -5.843 5.569 4.699 392 H LEU 52 HN LEU 52 -5.209 3.732 2.037 393 HA LEU 52 HA LEU 52 -7.858 4.592 1.342 394 1HB LEU 52 HB2 LEU 52 -5.517 3.763 -0.374 395 2HB LEU 52 HB1 LEU 52 -7.003 4.456 -0.993 396 HG LEU 52 HG LEU 52 -5.437 6.217 -0.964 397 1HD1 LEU 52 HD11 LEU 52 -6.314 7.777 0.722 398 2HD1 LEU 52 HD12 LEU 52 -7.133 6.432 1.516 399 3HD1 LEU 52 HD13 LEU 52 -7.591 6.902 -0.121 400 1HD2 LEU 52 HD21 LEU 52 -4.804 5.811 1.930 401 2HD2 LEU 52 HD22 LEU 52 -3.887 6.673 0.694 402 3HD2 LEU 52 HD23 LEU 52 -3.942 4.913 0.682 403 HA PRO 53 HA PRO 53 -9.575 0.455 1.226 404 1HB PRO 53 HB2 PRO 53 -11.453 1.721 -0.692 405 2HB PRO 53 HB1 PRO 53 -11.791 0.776 0.760 406 1HG PRO 53 HG2 PRO 53 -12.075 3.458 0.690 407 2HG PRO 53 HG1 PRO 53 -11.589 2.589 2.154 408 1HD PRO 53 HD2 PRO 53 -9.978 4.283 0.338 409 2HD PRO 53 HD1 PRO 53 -9.750 3.937 2.063 410 HA PRO 54 HA PRO 54 -8.148 -1.632 -2.372 411 1HB PRO 54 HB2 PRO 54 -10.979 -2.358 -2.993 412 2HB PRO 54 HB1 PRO 54 -9.544 -3.387 -2.920 413 1HG PRO 54 HG2 PRO 54 -11.292 -3.394 -0.923 414 2HG PRO 54 HG1 PRO 54 -9.550 -3.455 -0.595 415 1HD PRO 54 HD2 PRO 54 -11.456 -1.180 -0.306 416 2HD PRO 54 HD1 PRO 54 -10.035 -1.595 0.673 417 H GLN 55 HN GLN 55 -11.379 -0.452 -3.345 418 HA GLN 55 HA GLN 55 -10.383 0.316 -5.927 419 1HB GLN 55 HB2 GLN 55 -13.054 1.161 -4.855 420 2HB GLN 55 HB1 GLN 55 -12.590 0.808 -6.513 421 1HG GLN 55 HG2 GLN 55 -13.349 -1.254 -6.287 422 2HG GLN 55 HG1 GLN 55 -12.180 -1.547 -5.002 423 1HE2 GLN 55 HE21 GLN 55 -14.960 0.636 -5.060 424 2HE2 GLN 55 HE22 GLN 55 -15.799 -0.110 -3.747 425 H GLU 56 HN GLU 56 -11.362 2.039 -3.000 426 HA GLU 56 HA GLU 56 -11.280 4.647 -4.014 427 1HB GLU 56 HB2 GLU 56 -11.129 3.422 -1.316 428 2HB GLU 56 HB1 GLU 56 -10.599 5.089 -1.465 429 1HG GLU 56 HG2 GLU 56 -12.789 5.412 -0.971 430 2HG GLU 56 HG1 GLU 56 -12.885 5.355 -2.730 431 H VAL 57 HN VAL 57 -8.712 2.474 -3.392 432 HA VAL 57 HA VAL 57 -6.750 4.574 -3.014 433 HB VAL 57 HB VAL 57 -6.536 2.380 -1.849 434 1HG1 VAL 57 HG11 VAL 57 -5.269 0.839 -3.834 435 2HG1 VAL 57 HG12 VAL 57 -6.809 1.368 -4.508 436 3HG1 VAL 57 HG13 VAL 57 -6.773 0.488 -2.981 437 1HG2 VAL 57 HG21 VAL 57 -4.591 3.728 -1.964 438 2HG2 VAL 57 HG22 VAL 57 -4.315 3.308 -3.651 439 3HG2 VAL 57 HG23 VAL 57 -4.086 2.095 -2.393 440 H PHE 58 HN PHE 58 -8.015 2.601 -5.581 441 HA PHE 58 HA PHE 58 -6.084 2.512 -7.475 442 1HB PHE 58 HB2 PHE 58 -8.993 3.195 -7.870 443 2HB PHE 58 HB1 PHE 58 -7.891 2.888 -9.198 444 HD1 PHE 58 HD1 PHE 58 -9.698 1.226 -9.755 445 HD2 PHE 58 HD2 PHE 58 -7.163 0.847 -6.360 446 HE1 PHE 58 HE1 PHE 58 -10.228 -1.165 -9.645 447 HE2 PHE 58 HE2 PHE 58 -7.694 -1.560 -6.239 448 HZ PHE 58 HZ PHE 58 -9.228 -2.562 -7.892 449 HA PRO 59 HA PRO 59 -7.100 7.056 -8.969 450 1HB PRO 59 HB2 PRO 59 -8.075 8.262 -6.449 451 2HB PRO 59 HB1 PRO 59 -8.668 8.463 -8.100 452 1HG PRO 59 HG2 PRO 59 -10.037 7.030 -6.312 453 2HG PRO 59 HG1 PRO 59 -9.959 6.545 -8.016 454 1HD PRO 59 HD2 PRO 59 -8.469 5.447 -5.661 455 2HD PRO 59 HD1 PRO 59 -9.197 4.593 -7.032 456 H LEU 60 HN LEU 60 -6.145 6.628 -5.572 457 HA LEU 60 HA LEU 60 -4.278 8.783 -5.618 458 1HB LEU 60 HB2 LEU 60 -5.003 8.360 -3.484 459 2HB LEU 60 HB1 LEU 60 -5.031 6.626 -3.715 460 HG LEU 60 HG LEU 60 -2.315 7.384 -3.814 461 1HD1 LEU 60 HD11 LEU 60 -2.786 9.481 -2.786 462 2HD1 LEU 60 HD12 LEU 60 -2.039 8.424 -1.592 463 3HD1 LEU 60 HD13 LEU 60 -3.780 8.707 -1.552 464 1HD2 LEU 60 HD21 LEU 60 -2.094 5.742 -2.253 465 2HD2 LEU 60 HD22 LEU 60 -3.722 5.364 -2.813 466 3HD2 LEU 60 HD23 LEU 60 -3.489 6.283 -1.325 467 H LEU 61 HN LEU 61 -3.937 5.255 -5.805 468 HA LEU 61 HA LEU 61 -1.137 5.197 -5.972 469 1HB LEU 61 HB2 LEU 61 -1.548 2.948 -7.136 470 2HB LEU 61 HB1 LEU 61 -2.078 3.145 -5.478 471 HG LEU 61 HG LEU 61 -4.321 3.863 -6.864 472 1HD1 LEU 61 HD11 LEU 61 -4.052 3.227 -8.987 473 2HD1 LEU 61 HD12 LEU 61 -4.316 1.604 -8.358 474 3HD1 LEU 61 HD13 LEU 61 -2.677 2.194 -8.607 475 1HD2 LEU 61 HD21 LEU 61 -3.974 0.989 -6.290 476 2HD2 LEU 61 HD22 LEU 61 -5.243 2.087 -5.793 477 3HD2 LEU 61 HD23 LEU 61 -3.694 2.100 -4.961 478 H GLU 62 HN GLU 62 -3.373 6.280 -8.312 479 HA GLU 62 HA GLU 62 -1.480 5.752 -10.493 480 1HB GLU 62 HB2 GLU 62 -3.323 6.349 -12.000 481 2HB GLU 62 HB1 GLU 62 -3.786 5.052 -10.905 482 1HG GLU 62 HG2 GLU 62 -5.080 6.536 -9.572 483 2HG GLU 62 HG1 GLU 62 -4.447 7.943 -10.420 484 H SER 63 HN SER 63 -2.367 8.198 -8.350 485 HA SER 63 HA SER 63 -1.612 10.323 -10.228 486 1HB SER 63 HB2 SER 63 -3.606 10.210 -8.286 487 2HB SER 63 HB1 SER 63 -2.355 11.220 -7.569 488 HG SER 63 HG SER 63 -3.896 12.386 -8.861 489 H ASP 64 HN ASP 64 0.417 10.991 -10.229 490 HA ASP 64 HA ASP 64 2.392 10.132 -8.457 491 1HB ASP 64 HB2 ASP 64 2.241 12.334 -10.485 492 2HB ASP 64 HB1 ASP 64 3.647 12.213 -9.433 493 H GLU 65 HN GLU 65 0.570 13.178 -8.533 494 HA GLU 65 HA GLU 65 1.963 14.344 -6.341 495 1HB GLU 65 HB2 GLU 65 0.121 15.230 -8.230 496 2HB GLU 65 HB1 GLU 65 -0.741 15.354 -6.702 497 1HG GLU 65 HG2 GLU 65 1.884 16.365 -6.325 498 2HG GLU 65 HG1 GLU 65 1.211 17.096 -7.779 499 H LEU 66 HN LEU 66 -1.192 12.720 -6.617 500 HA LEU 66 HA LEU 66 -1.957 13.007 -3.936 501 1HB LEU 66 HB2 LEU 66 -3.011 11.836 -6.220 502 2HB LEU 66 HB1 LEU 66 -2.809 10.489 -5.121 503 HG LEU 66 HG LEU 66 -5.063 11.587 -5.094 504 1HD1 LEU 66 HD11 LEU 66 -4.497 10.194 -3.278 505 2HD1 LEU 66 HD12 LEU 66 -5.154 11.675 -2.578 506 3HD1 LEU 66 HD13 LEU 66 -3.412 11.404 -2.592 507 1HD2 LEU 66 HD21 LEU 66 -5.162 13.802 -4.984 508 2HD2 LEU 66 HD22 LEU 66 -3.436 13.918 -4.654 509 3HD2 LEU 66 HD23 LEU 66 -4.576 13.702 -3.325 510 H PHE 67 HN PHE 67 0.333 10.912 -5.450 511 HA PHE 67 HA PHE 67 0.457 9.046 -3.256 512 1HB PHE 67 HB2 PHE 67 1.087 8.669 -5.784 513 2HB PHE 67 HB1 PHE 67 2.654 9.297 -5.273 514 HD1 PHE 67 HD1 PHE 67 4.230 7.721 -4.668 515 HD2 PHE 67 HD2 PHE 67 0.105 6.876 -4.041 516 HE1 PHE 67 HE1 PHE 67 4.818 5.503 -3.791 517 HE2 PHE 67 HE2 PHE 67 0.705 4.664 -3.166 518 HZ PHE 67 HZ PHE 67 3.040 3.968 -3.041 519 H GLU 68 HN GLU 68 2.687 11.479 -4.606 520 HA GLU 68 HA GLU 68 4.754 11.354 -2.858 521 1HB GLU 68 HB2 GLU 68 3.492 13.587 -4.360 522 2HB GLU 68 HB1 GLU 68 4.686 14.004 -3.136 523 1HG GLU 68 HG2 GLU 68 5.662 11.848 -4.748 524 2HG GLU 68 HG1 GLU 68 5.138 13.181 -5.776 525 H GLN 69 HN GLN 69 1.755 13.196 -2.321 526 HA GLN 69 HA GLN 69 2.420 14.305 0.156 527 1HB GLN 69 HB2 GLN 69 0.311 14.551 -1.476 528 2HB GLN 69 HB1 GLN 69 -0.395 13.458 -0.292 529 1HG GLN 69 HG2 GLN 69 1.025 15.773 0.830 530 2HG GLN 69 HG1 GLN 69 -0.423 16.149 -0.105 531 1HE2 GLN 69 HE21 GLN 69 0.618 15.651 2.914 532 2HE2 GLN 69 HE22 GLN 69 -0.811 15.005 3.640 533 H HIS 70 HN HIS 70 0.307 11.498 -0.385 534 HA HIS 70 HA HIS 70 0.244 10.707 2.315 535 1HB HIS 70 HB2 HIS 70 -0.607 9.555 -0.254 536 2HB HIS 70 HB1 HIS 70 -0.201 8.357 0.970 537 HD2 HIS 70 HD2 HIS 70 -3.166 10.417 -0.070 538 HE1 HIS 70 HE1 HIS 70 -3.845 9.384 3.991 539 HE2 HIS 70 HE2 HIS 70 -4.859 10.333 1.888 540 H TYR 71 HN TYR 71 2.175 9.470 -0.402 541 HA TYR 71 HA TYR 71 3.673 7.642 1.150 542 1HB TYR 71 HB2 TYR 71 3.761 7.099 -1.083 543 2HB TYR 71 HB1 TYR 71 3.843 8.773 -1.602 544 HD1 TYR 71 HD1 TYR 71 5.943 9.875 -1.909 545 HD2 TYR 71 HD2 TYR 71 5.807 5.912 -0.378 546 HE1 TYR 71 HE1 TYR 71 8.361 9.648 -2.298 547 HE2 TYR 71 HE2 TYR 71 8.222 5.674 -0.754 548 HH TYR 71 HH TYR 71 9.957 7.376 -2.700 549 H LYS 72 HN LYS 72 3.711 11.013 1.075 550 HA LYS 72 HA LYS 72 6.450 11.592 1.393 551 1HB LYS 72 HB2 LYS 72 4.264 13.142 1.165 552 2HB LYS 72 HB1 LYS 72 4.471 13.213 2.904 553 1HG LYS 72 HG2 LYS 72 7.007 13.681 2.034 554 2HG LYS 72 HG1 LYS 72 6.041 14.452 0.773 555 1HD LYS 72 HD2 LYS 72 4.982 15.061 3.386 556 2HD LYS 72 HD1 LYS 72 6.691 15.483 3.295 557 1HE LYS 72 HE2 LYS 72 5.348 16.300 0.890 558 2HE LYS 72 HE1 LYS 72 4.499 16.932 2.300 559 1HZ LYS 72 HZ1 LYS 72 7.094 17.630 1.248 560 2HZ LYS 72 HZ2 LYS 72 7.063 17.427 2.926 561 3HZ LYS 72 HZ3 LYS 72 6.026 18.544 2.190 562 H GLU 73 HN GLU 73 3.929 11.538 3.909 563 HA GLU 73 HA GLU 73 5.583 11.590 6.126 564 1HB GLU 73 HB2 GLU 73 2.869 10.362 5.679 565 2HB GLU 73 HB1 GLU 73 3.655 10.296 7.251 566 1HG GLU 73 HG2 GLU 73 3.866 12.905 6.829 567 2HG GLU 73 HG1 GLU 73 2.461 12.591 5.810 568 H ALA 74 HN ALA 74 4.420 8.808 4.289 569 HA ALA 74 HA ALA 74 5.623 6.843 5.938 570 1HB ALA 74 HB1 ALA 74 4.398 5.506 4.656 571 2HB ALA 74 HB2 ALA 74 5.392 5.913 3.256 572 3HB ALA 74 HB3 ALA 74 3.976 6.886 3.642 573 H SER 75 HN SER 75 6.776 8.819 3.302 574 HA SER 75 HA SER 75 9.002 7.313 2.529 575 1HB SER 75 HB2 SER 75 8.151 9.316 1.305 576 2HB SER 75 HB1 SER 75 8.799 10.337 2.587 577 HG SER 75 HG SER 75 10.139 9.929 0.619 578 H ALA 76 HN ALA 76 8.808 10.001 4.865 579 HA ALA 76 HA ALA 76 11.418 9.995 5.765 580 1HB ALA 76 HB1 ALA 76 9.168 10.334 7.717 581 2HB ALA 76 HB2 ALA 76 9.430 11.513 6.433 582 3HB ALA 76 HB3 ALA 76 10.699 11.203 7.617 583 H ALA 77 HN ALA 77 8.828 7.759 6.519 584 HA ALA 77 HA ALA 77 10.287 6.413 8.618 585 1HB ALA 77 HB1 ALA 77 8.125 4.889 7.405 586 2HB ALA 77 HB2 ALA 77 7.634 6.516 7.874 587 3HB ALA 77 HB3 ALA 77 8.335 5.428 9.071 588 H TYR 78 HN TYR 78 10.192 6.356 5.241 589 HA TYR 78 HA TYR 78 10.899 3.685 4.663 590 1HB TYR 78 HB2 TYR 78 10.040 5.506 3.076 591 2HB TYR 78 HB1 TYR 78 11.676 6.142 3.078 592 HD1 TYR 78 HD1 TYR 78 10.138 5.269 0.652 593 HD2 TYR 78 HD2 TYR 78 12.825 3.146 3.169 594 HE1 TYR 78 HE1 TYR 78 10.722 3.788 -1.226 595 HE2 TYR 78 HE2 TYR 78 13.419 1.670 1.313 596 HH TYR 78 HH TYR 78 13.410 1.799 -1.201 597 H GLU 79 HN GLU 79 12.784 6.655 5.067 598 HA GLU 79 HA GLU 79 15.315 5.431 4.726 599 1HB GLU 79 HB2 GLU 79 16.235 7.543 5.302 600 2HB GLU 79 HB1 GLU 79 14.754 7.869 4.412 601 1HG GLU 79 HG2 GLU 79 13.581 8.297 6.492 602 2HG GLU 79 HG1 GLU 79 15.049 7.954 7.404 603 H SER 80 HN SER 80 13.500 6.376 7.634 604 HA SER 80 HA SER 80 15.442 5.776 9.517 605 1HB SER 80 HB2 SER 80 12.444 5.524 9.810 606 2HB SER 80 HB1 SER 80 13.601 5.635 11.135 607 HG SER 80 HG SER 80 12.788 7.673 10.756 608 H PHE 81 HN PHE 81 12.811 3.709 8.323 609 HA PHE 81 HA PHE 81 13.574 1.434 9.814 610 1HB PHE 81 HB2 PHE 81 11.484 2.167 8.046 611 2HB PHE 81 HB1 PHE 81 12.188 0.679 7.428 612 HD1 PHE 81 HD1 PHE 81 9.674 1.906 9.415 613 HD2 PHE 81 HD2 PHE 81 12.723 -1.060 9.452 614 HE1 PHE 81 HE1 PHE 81 8.384 0.606 11.062 615 HE2 PHE 81 HE2 PHE 81 11.442 -2.365 11.096 616 HZ PHE 81 HZ PHE 81 9.269 -1.532 11.902 617 H LYS 82 HN LYS 82 14.109 2.335 6.411 618 HA LYS 82 HA LYS 82 15.519 0.024 5.673 619 1HB LYS 82 HB2 LYS 82 15.365 2.800 4.578 620 2HB LYS 82 HB1 LYS 82 16.530 1.662 3.918 621 1HG LYS 82 HG2 LYS 82 13.564 1.184 4.083 622 2HG LYS 82 HG1 LYS 82 14.438 1.731 2.654 623 1HD LYS 82 HD2 LYS 82 14.755 -0.406 2.119 624 2HD LYS 82 HD1 LYS 82 15.817 -0.535 3.520 625 1HE LYS 82 HE2 LYS 82 13.387 -0.799 4.695 626 2HE LYS 82 HE1 LYS 82 13.072 -1.525 3.119 627 1HZ LYS 82 HZ1 LYS 82 15.433 -2.303 4.711 628 2HZ LYS 82 HZ2 LYS 82 14.676 -3.151 3.460 629 3HZ LYS 82 HZ3 LYS 82 13.926 -3.028 4.970 630 H LYS 83 HN LYS 83 16.625 3.111 7.004 631 HA LYS 83 HA LYS 83 19.404 2.482 6.805 632 1HB LYS 83 HB2 LYS 83 17.880 4.594 8.317 633 2HB LYS 83 HB1 LYS 83 19.631 4.455 8.387 634 1HG LYS 83 HG2 LYS 83 18.958 4.421 5.665 635 2HG LYS 83 HG1 LYS 83 17.987 5.697 6.402 636 1HD LYS 83 HD2 LYS 83 20.215 6.390 7.535 637 2HD LYS 83 HD1 LYS 83 20.964 5.423 6.261 638 1HE LYS 83 HE2 LYS 83 20.702 7.080 4.809 639 2HE LYS 83 HE1 LYS 83 18.965 7.097 5.101 640 1HZ LYS 83 HZ1 LYS 83 19.901 9.248 5.569 641 2HZ LYS 83 HZ2 LYS 83 21.019 8.582 6.650 642 3HZ LYS 83 HZ3 LYS 83 19.367 8.552 7.016 643 H GLU 84 HN GLU 84 17.001 2.333 9.396 644 HA GLU 84 HA GLU 84 18.946 1.391 11.315 645 1HB GLU 84 HB2 GLU 84 16.858 2.839 11.782 646 2HB GLU 84 HB1 GLU 84 15.966 1.325 11.706 647 1HG GLU 84 HG2 GLU 84 17.515 0.446 13.477 648 2HG GLU 84 HG1 GLU 84 18.140 2.086 13.638 649 H GLN 85 HN GLN 85 18.175 -0.166 8.794 650 HA GLN 85 HA GLN 85 16.907 -2.542 9.768 651 1HB GLN 85 HB2 GLN 85 17.815 -1.499 7.213 652 2HB GLN 85 HB1 GLN 85 18.242 -3.191 7.402 653 1HG GLN 85 HG2 GLN 85 15.499 -1.977 7.556 654 2HG GLN 85 HG1 GLN 85 16.131 -3.054 6.313 655 1HE2 GLN 85 HE21 GLN 85 16.411 -5.247 6.783 656 2HE2 GLN 85 HE22 GLN 85 15.613 -6.000 8.116 657 H GLU 86 HN GLU 86 18.517 -2.563 11.619 658 HA GLU 86 HA GLU 86 21.147 -3.578 10.986 659 1HB GLU 86 HB2 GLU 86 21.424 -3.679 13.453 660 2HB GLU 86 HB1 GLU 86 20.956 -2.089 12.870 661 1HG GLU 86 HG2 GLU 86 19.280 -2.089 14.305 662 2HG GLU 86 HG1 GLU 86 18.570 -3.455 13.446 663 H GLN 87 HN GLN 87 18.664 -5.121 10.296 664 HA GLN 87 HA GLN 87 18.859 -7.471 11.986 665 1HB GLN 87 HB2 GLN 87 16.757 -6.345 10.710 666 2HB GLN 87 HB1 GLN 87 17.233 -7.544 9.513 667 1HG GLN 87 HG2 GLN 87 17.145 -8.636 12.196 668 2HG GLN 87 HG1 GLN 87 15.599 -7.952 11.692 669 1HE2 GLN 87 HE21 GLN 87 14.962 -8.587 9.402 670 2HE2 GLN 87 HE22 GLN 87 15.179 -10.250 8.987 671 H GLN 88 HN GLN 88 19.640 -6.435 8.709 672 HA GLN 88 HA GLN 88 20.468 -9.005 7.792 673 1HB GLN 88 HB2 GLN 88 21.379 -7.813 5.868 674 2HB GLN 88 HB1 GLN 88 19.762 -7.231 6.243 675 1HG GLN 88 HG2 GLN 88 21.156 -5.454 7.645 676 2HG GLN 88 HG1 GLN 88 22.374 -5.853 6.433 677 1HE2 GLN 88 HE21 GLN 88 21.468 -3.328 6.510 678 2HE2 GLN 88 HE22 GLN 88 20.440 -3.001 5.161 679 H THR 89 HN THR 89 22.728 -9.442 7.058 680 HA THR 89 HA THR 89 24.617 -8.559 9.134 681 HB THR 89 HB THR 89 24.779 -11.023 7.389 682 HG1 THR 89 HG1 THR 89 22.983 -10.977 8.896 683 1HG2 THR 89 HG21 THR 89 26.937 -10.674 8.171 684 2HG2 THR 89 HG22 THR 89 26.239 -11.789 9.346 685 3HG2 THR 89 HG23 THR 89 26.379 -10.074 9.732 686 H GLU 90 HN GLU 90 25.460 -6.722 8.196 687 HA GLU 90 HA GLU 90 26.418 -6.758 5.472 688 1HB GLU 90 HB2 GLU 90 25.835 -4.761 7.472 689 2HB GLU 90 HB1 GLU 90 27.425 -4.480 6.777 690 1HG GLU 90 HG2 GLU 90 26.565 -3.743 4.865 691 2HG GLU 90 HG1 GLU 90 25.435 -5.093 4.759 692 H GLN 91 HN GLN 91 28.490 -6.980 4.791 693 HA GLN 91 HA GLN 91 30.374 -8.067 6.676 694 1HB GLN 91 HB2 GLN 91 31.811 -8.424 4.701 695 2HB GLN 91 HB1 GLN 91 30.200 -9.090 4.491 696 1HG GLN 91 HG2 GLN 91 29.670 -7.654 2.826 697 2HG GLN 91 HG1 GLN 91 30.648 -6.348 3.483 698 1HE2 GLN 91 HE21 GLN 91 31.394 -6.008 1.321 699 2HE2 GLN 91 HE22 GLN 91 32.644 -7.006 0.667 700 H ALA 92 HN ALA 92 30.132 -5.111 4.727 701 HA ALA 92 HA ALA 92 32.567 -4.116 6.026 702 1HB ALA 92 HB1 ALA 92 33.011 -3.534 3.915 703 2HB ALA 92 HB2 ALA 92 31.895 -2.199 4.202 704 3HB ALA 92 HB3 ALA 92 31.325 -3.673 3.418 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 9.590 -11.632 -33.597 2 2H GLY 1 HT2 GLY 1 8.120 -12.447 -33.399 3 3H GLY 1 HT3 GLY 1 9.154 -12.866 -34.672 4 1HA GLY 1 HA1 GLY 1 9.063 -14.293 -32.497 5 2HA GLY 1 HA2 GLY 1 10.567 -14.045 -33.369 6 HA PRO 2 HA PRO 2 10.625 -11.480 -29.288 7 1HB PRO 2 HB2 PRO 2 9.322 -12.576 -27.221 8 2HB PRO 2 HB1 PRO 2 8.495 -11.539 -28.389 9 1HG PRO 2 HG2 PRO 2 8.524 -14.524 -28.195 10 2HG PRO 2 HG1 PRO 2 7.167 -13.438 -28.542 11 1HD PRO 2 HD2 PRO 2 8.576 -14.813 -30.461 12 2HD PRO 2 HD1 PRO 2 7.687 -13.309 -30.764 13 H LEU 3 HN LEU 3 11.352 -12.195 -26.882 14 HA LEU 3 HA LEU 3 13.553 -14.007 -27.314 15 1HB LEU 3 HB2 LEU 3 12.676 -12.319 -24.983 16 2HB LEU 3 HB1 LEU 3 14.025 -13.431 -24.869 17 HG LEU 3 HG LEU 3 14.193 -11.599 -27.155 18 1HD1 LEU 3 HD11 LEU 3 14.717 -10.375 -24.481 19 2HD1 LEU 3 HD12 LEU 3 13.107 -10.289 -25.194 20 3HD1 LEU 3 HD13 LEU 3 14.487 -9.596 -26.046 21 1HD2 LEU 3 HD21 LEU 3 15.983 -13.136 -26.406 22 2HD2 LEU 3 HD22 LEU 3 16.102 -12.219 -24.905 23 3HD2 LEU 3 HD23 LEU 3 16.489 -11.448 -26.442 24 H GLY 4 HN GLY 4 11.260 -13.834 -24.585 25 1HA GLY 4 HA2 GLY 4 11.566 -16.675 -24.129 26 2HA GLY 4 HA1 GLY 4 10.617 -15.558 -23.161 27 H SER 5 HN SER 5 9.092 -17.394 -23.181 28 HA SER 5 HA SER 5 7.725 -17.981 -25.647 29 1HB SER 5 HB2 SER 5 7.035 -18.751 -22.801 30 2HB SER 5 HB1 SER 5 6.294 -19.417 -24.256 31 HG SER 5 HG SER 5 9.057 -19.545 -24.168 32 HA PRO 6 HA PRO 6 4.794 -14.673 -25.238 33 1HB PRO 6 HB2 PRO 6 3.070 -15.446 -27.194 34 2HB PRO 6 HB1 PRO 6 4.624 -14.674 -27.512 35 1HG PRO 6 HG2 PRO 6 3.831 -17.515 -27.790 36 2HG PRO 6 HG1 PRO 6 5.029 -16.585 -28.698 37 1HD PRO 6 HD2 PRO 6 5.574 -18.403 -26.652 38 2HD PRO 6 HD1 PRO 6 6.696 -17.189 -27.290 39 H ARG 7 HN ARG 7 2.900 -17.546 -26.153 40 HA ARG 7 HA ARG 7 0.821 -16.881 -24.324 41 1HB ARG 7 HB2 ARG 7 0.876 -18.323 -26.589 42 2HB ARG 7 HB1 ARG 7 0.979 -19.633 -25.421 43 1HG ARG 7 HG2 ARG 7 -1.087 -17.636 -24.839 44 2HG ARG 7 HG1 ARG 7 -1.330 -18.549 -26.329 45 1HD ARG 7 HD2 ARG 7 -0.634 -20.540 -24.646 46 2HD ARG 7 HD1 ARG 7 -1.421 -19.436 -23.518 47 HE ARG 7 HE ARG 7 -3.403 -20.127 -24.386 48 1HH1 ARG 7 HH11 ARG 7 -0.958 -20.537 -26.842 49 2HH1 ARG 7 HH12 ARG 7 -2.057 -21.208 -28.001 50 1HH2 ARG 7 HH21 ARG 7 -4.850 -21.011 -25.908 51 2HH2 ARG 7 HH22 ARG 7 -4.266 -21.477 -27.471 52 H ASN 8 HN ASN 8 1.957 -16.797 -22.319 53 HA ASN 8 HA ASN 8 3.195 -19.162 -21.252 54 1HB ASN 8 HB2 ASN 8 3.054 -16.386 -20.572 55 2HB ASN 8 HB1 ASN 8 2.537 -17.322 -19.174 56 1HD2 ASN 8 HD21 ASN 8 5.148 -16.111 -20.858 57 2HD2 ASN 8 HD22 ASN 8 6.400 -17.027 -20.098 58 H ALA 9 HN ALA 9 2.331 -20.648 -19.858 59 HA ALA 9 HA ALA 9 -0.542 -20.774 -19.705 60 1HB ALA 9 HB1 ALA 9 -0.244 -22.964 -19.428 61 2HB ALA 9 HB2 ALA 9 0.884 -22.728 -18.093 62 3HB ALA 9 HB3 ALA 9 1.461 -22.658 -19.758 63 H ASN 10 HN ASN 10 0.499 -18.531 -18.340 64 HA ASN 10 HA ASN 10 0.321 -19.170 -15.505 65 1HB ASN 10 HB2 ASN 10 0.955 -16.617 -16.996 66 2HB ASN 10 HB1 ASN 10 0.812 -16.704 -15.242 67 1HD2 ASN 10 HD21 ASN 10 2.192 -18.442 -14.223 68 2HD2 ASN 10 HD22 ASN 10 3.800 -18.607 -14.832 69 H ASP 11 HN ASP 11 -1.997 -19.499 -17.215 70 HA ASP 11 HA ASP 11 -3.774 -17.311 -16.857 71 1HB ASP 11 HB2 ASP 11 -3.929 -20.056 -17.920 72 2HB ASP 11 HB1 ASP 11 -5.427 -19.445 -17.227 73 H ASN 12 HN ASN 12 -3.914 -16.708 -14.743 74 HA ASN 12 HA ASN 12 -4.312 -18.585 -12.627 75 1HB ASN 12 HB2 ASN 12 -4.892 -15.624 -12.512 76 2HB ASN 12 HB1 ASN 12 -4.458 -16.693 -11.183 77 1HD2 ASN 12 HD21 ASN 12 -3.278 -14.196 -12.501 78 2HD2 ASN 12 HD22 ASN 12 -1.605 -14.591 -12.682 79 H ASN 13 HN ASN 13 -6.134 -19.612 -12.216 80 HA ASN 13 HA ASN 13 -8.637 -18.680 -13.348 81 1HB ASN 13 HB2 ASN 13 -9.533 -20.834 -12.578 82 2HB ASN 13 HB1 ASN 13 -8.055 -21.056 -13.508 83 1HD2 ASN 13 HD21 ASN 13 -7.687 -23.066 -12.567 84 2HD2 ASN 13 HD22 ASN 13 -7.126 -23.226 -10.941 85 H GLN 14 HN GLN 14 -7.391 -17.164 -11.176 86 HA GLN 14 HA GLN 14 -9.032 -17.650 -8.853 87 1HB GLN 14 HB2 GLN 14 -6.544 -16.541 -9.231 88 2HB GLN 14 HB1 GLN 14 -7.547 -15.125 -8.953 89 1HG GLN 14 HG2 GLN 14 -6.614 -15.877 -6.874 90 2HG GLN 14 HG1 GLN 14 -8.357 -16.135 -6.865 91 1HE2 GLN 14 HE21 GLN 14 -6.629 -17.436 -5.130 92 2HE2 GLN 14 HE22 GLN 14 -6.624 -19.122 -5.501 93 H PHE 15 HN PHE 15 -10.957 -17.355 -10.404 94 HA PHE 15 HA PHE 15 -11.640 -14.586 -10.939 95 1HB PHE 15 HB2 PHE 15 -13.157 -17.160 -11.405 96 2HB PHE 15 HB1 PHE 15 -13.752 -15.564 -11.855 97 HD1 PHE 15 HD1 PHE 15 -11.662 -18.334 -12.778 98 HD2 PHE 15 HD2 PHE 15 -12.472 -14.228 -13.548 99 HE1 PHE 15 HE1 PHE 15 -10.484 -18.508 -14.931 100 HE2 PHE 15 HE2 PHE 15 -11.296 -14.393 -15.702 101 HZ PHE 15 HZ PHE 15 -10.299 -16.537 -16.395 102 H TYR 16 HN TYR 16 -11.585 -16.308 -8.213 103 HA TYR 16 HA TYR 16 -14.206 -15.745 -7.165 104 1HB TYR 16 HB2 TYR 16 -12.553 -17.656 -6.504 105 2HB TYR 16 HB1 TYR 16 -11.822 -16.430 -5.471 106 HD1 TYR 16 HD1 TYR 16 -13.730 -15.038 -4.102 107 HD2 TYR 16 HD2 TYR 16 -14.044 -19.054 -5.466 108 HE1 TYR 16 HE1 TYR 16 -15.423 -15.485 -2.375 109 HE2 TYR 16 HE2 TYR 16 -15.738 -19.514 -3.744 110 HH TYR 16 HH TYR 16 -17.473 -17.979 -2.409 111 H GLN 17 HN GLN 17 -10.911 -14.573 -6.499 112 HA GLN 17 HA GLN 17 -11.935 -12.377 -4.916 113 1HB GLN 17 HB2 GLN 17 -9.138 -13.168 -5.743 114 2HB GLN 17 HB1 GLN 17 -9.495 -11.748 -4.770 115 1HG GLN 17 HG2 GLN 17 -10.620 -14.295 -3.806 116 2HG GLN 17 HG1 GLN 17 -8.865 -14.139 -3.740 117 1HE2 GLN 17 HE21 GLN 17 -8.188 -13.481 -1.840 118 2HE2 GLN 17 HE22 GLN 17 -8.985 -12.355 -0.801 119 H GLN 18 HN GLN 18 -11.264 -10.145 -5.374 120 HA GLN 18 HA GLN 18 -11.944 -9.427 -8.061 121 1HB GLN 18 HB2 GLN 18 -10.915 -7.585 -5.918 122 2HB GLN 18 HB1 GLN 18 -11.944 -7.177 -7.283 123 1HG GLN 18 HG2 GLN 18 -13.549 -7.244 -5.710 124 2HG GLN 18 HG1 GLN 18 -13.513 -8.971 -6.063 125 1HE2 GLN 18 HE21 GLN 18 -14.512 -8.619 -3.767 126 2HE2 GLN 18 HE22 GLN 18 -13.401 -8.835 -2.462 127 H LYS 19 HN LYS 19 -10.546 -9.425 -9.691 128 HA LYS 19 HA LYS 19 -7.713 -9.415 -9.251 129 1HB LYS 19 HB2 LYS 19 -9.478 -10.118 -11.373 130 2HB LYS 19 HB1 LYS 19 -8.320 -8.954 -11.997 131 1HG LYS 19 HG2 LYS 19 -7.096 -11.036 -10.364 132 2HG LYS 19 HG1 LYS 19 -7.926 -11.654 -11.792 133 1HD LYS 19 HD2 LYS 19 -5.863 -11.226 -12.687 134 2HD LYS 19 HD1 LYS 19 -6.645 -9.669 -12.970 135 1HE LYS 19 HE2 LYS 19 -4.570 -9.107 -12.055 136 2HE LYS 19 HE1 LYS 19 -5.685 -8.987 -10.695 137 1HZ LYS 19 HZ1 LYS 19 -4.332 -11.544 -11.145 138 2HZ LYS 19 HZ2 LYS 19 -4.809 -10.817 -9.695 139 3HZ LYS 19 HZ3 LYS 19 -3.424 -10.271 -10.497 140 H GLN 20 HN GLN 20 -10.122 -7.066 -10.035 141 HA GLN 20 HA GLN 20 -8.268 -5.083 -10.984 142 1HB GLN 20 HB2 GLN 20 -11.177 -5.304 -10.641 143 2HB GLN 20 HB1 GLN 20 -10.539 -3.691 -10.355 144 1HG GLN 20 HG2 GLN 20 -9.306 -4.049 -12.603 145 2HG GLN 20 HG1 GLN 20 -10.500 -5.322 -12.854 146 1HE2 GLN 20 HE21 GLN 20 -10.741 -3.622 -14.697 147 2HE2 GLN 20 HE22 GLN 20 -11.988 -2.455 -14.442 148 H ARG 21 HN ARG 21 -9.721 -5.960 -7.930 149 HA ARG 21 HA ARG 21 -9.203 -3.581 -6.516 150 1HB ARG 21 HB2 ARG 21 -10.368 -6.005 -5.942 151 2HB ARG 21 HB1 ARG 21 -8.948 -5.993 -4.907 152 1HG ARG 21 HG2 ARG 21 -9.685 -3.733 -4.109 153 2HG ARG 21 HG1 ARG 21 -11.189 -3.990 -4.991 154 1HD ARG 21 HD2 ARG 21 -11.596 -4.626 -2.741 155 2HD ARG 21 HD1 ARG 21 -11.481 -6.112 -3.683 156 HE ARG 21 HE ARG 21 -8.948 -5.670 -2.731 157 1HH1 ARG 21 HH11 ARG 21 -12.108 -6.062 -1.302 158 2HH1 ARG 21 HH12 ARG 21 -11.502 -6.800 0.142 159 1HH2 ARG 21 HH21 ARG 21 -8.149 -6.642 -0.832 160 2HH2 ARG 21 HH22 ARG 21 -9.253 -7.127 0.411 161 H GLN 22 HN GLN 22 -7.360 -6.643 -6.390 162 HA GLN 22 HA GLN 22 -5.139 -5.417 -5.104 163 1HB GLN 22 HB2 GLN 22 -5.943 -8.056 -5.784 164 2HB GLN 22 HB1 GLN 22 -4.335 -7.805 -6.450 165 1HG GLN 22 HG2 GLN 22 -3.362 -7.599 -4.403 166 2HG GLN 22 HG1 GLN 22 -4.823 -6.959 -3.650 167 1HE2 GLN 22 HE21 GLN 22 -6.696 -8.767 -4.070 168 2HE2 GLN 22 HE22 GLN 22 -6.274 -10.299 -3.392 169 H ALA 23 HN ALA 23 -6.163 -5.581 -8.363 170 HA ALA 23 HA ALA 23 -3.718 -5.520 -9.731 171 1HB ALA 23 HB1 ALA 23 -5.483 -5.834 -11.161 172 2HB ALA 23 HB2 ALA 23 -5.171 -4.116 -11.415 173 3HB ALA 23 HB3 ALA 23 -6.487 -4.627 -10.358 174 H LEU 24 HN LEU 24 -5.850 -2.725 -9.197 175 HA LEU 24 HA LEU 24 -3.809 -0.835 -9.682 176 1HB LEU 24 HB2 LEU 24 -6.602 -0.788 -8.753 177 2HB LEU 24 HB1 LEU 24 -5.626 0.575 -8.245 178 HG LEU 24 HG LEU 24 -6.782 1.173 -10.255 179 1HD1 LEU 24 HD11 LEU 24 -4.905 2.301 -10.678 180 2HD1 LEU 24 HD12 LEU 24 -4.545 1.033 -11.848 181 3HD1 LEU 24 HD13 LEU 24 -3.877 0.944 -10.220 182 1HD2 LEU 24 HD21 LEU 24 -5.726 -1.441 -11.266 183 2HD2 LEU 24 HD22 LEU 24 -6.240 -0.160 -12.366 184 3HD2 LEU 24 HD23 LEU 24 -7.391 -0.855 -11.223 185 H GLY 25 HN GLY 25 -5.056 -2.339 -6.736 186 1HA GLY 25 HA2 GLY 25 -3.813 -0.646 -4.874 187 2HA GLY 25 HA1 GLY 25 -4.219 -2.334 -4.584 188 H GLU 26 HN GLU 26 -2.624 -3.428 -6.667 189 HA GLU 26 HA GLU 26 -0.168 -3.754 -5.360 190 1HB GLU 26 HB2 GLU 26 -1.198 -5.327 -7.029 191 2HB GLU 26 HB1 GLU 26 -0.730 -4.205 -8.297 192 1HG GLU 26 HG2 GLU 26 1.619 -4.503 -7.683 193 2HG GLU 26 HG1 GLU 26 1.137 -5.638 -6.422 194 H GLN 27 HN GLN 27 -1.311 -1.428 -7.694 195 HA GLN 27 HA GLN 27 1.162 -0.471 -8.623 196 1HB GLN 27 HB2 GLN 27 -1.511 0.890 -8.344 197 2HB GLN 27 HB1 GLN 27 -0.127 1.641 -9.113 198 1HG GLN 27 HG2 GLN 27 -0.337 -0.829 -10.352 199 2HG GLN 27 HG1 GLN 27 -2.004 -0.287 -10.158 200 1HE2 GLN 27 HE21 GLN 27 -2.024 -0.184 -12.480 201 2HE2 GLN 27 HE22 GLN 27 -1.388 1.208 -13.283 202 H LEU 28 HN LEU 28 -0.626 0.056 -5.698 203 HA LEU 28 HA LEU 28 0.595 2.410 -4.770 204 1HB LEU 28 HB2 LEU 28 -1.375 0.810 -3.864 205 2HB LEU 28 HB1 LEU 28 -0.077 0.278 -2.815 206 HG LEU 28 HG LEU 28 0.231 2.601 -2.038 207 1HD1 LEU 28 HD11 LEU 28 -0.683 3.585 -4.176 208 2HD1 LEU 28 HD12 LEU 28 -1.210 4.345 -2.679 209 3HD1 LEU 28 HD13 LEU 28 -2.294 3.246 -3.534 210 1HD2 LEU 28 HD21 LEU 28 -1.082 1.603 -0.491 211 2HD2 LEU 28 HD22 LEU 28 -2.248 1.037 -1.688 212 3HD2 LEU 28 HD23 LEU 28 -2.300 2.709 -1.126 213 H TYR 29 HN TYR 29 1.364 -0.981 -4.178 214 HA TYR 29 HA TYR 29 3.635 -0.518 -2.581 215 1HB TYR 29 HB2 TYR 29 2.452 -2.605 -2.466 216 2HB TYR 29 HB1 TYR 29 2.753 -2.924 -4.169 217 HD1 TYR 29 HD1 TYR 29 4.359 -4.481 -4.631 218 HD2 TYR 29 HD2 TYR 29 4.755 -2.147 -1.100 219 HE1 TYR 29 HE1 TYR 29 6.397 -5.721 -4.043 220 HE2 TYR 29 HE2 TYR 29 6.800 -3.373 -0.507 221 HH TYR 29 HH TYR 29 7.771 -5.614 -0.998 222 H LYS 30 HN LYS 30 3.436 -1.487 -6.021 223 HA LYS 30 HA LYS 30 6.176 -1.595 -6.504 224 1HB LYS 30 HB2 LYS 30 5.499 -1.057 -8.917 225 2HB LYS 30 HB1 LYS 30 4.807 -2.496 -8.178 226 1HG LYS 30 HG2 LYS 30 2.742 -1.737 -8.440 227 2HG LYS 30 HG1 LYS 30 3.149 -0.188 -7.706 228 1HD LYS 30 HD2 LYS 30 2.440 0.338 -9.888 229 2HD LYS 30 HD1 LYS 30 4.204 0.414 -9.949 230 1HE LYS 30 HE2 LYS 30 2.900 -2.177 -10.585 231 2HE LYS 30 HE1 LYS 30 2.778 -0.881 -11.774 232 1HZ LYS 30 HZ1 LYS 30 5.110 -2.402 -10.919 233 2HZ LYS 30 HZ2 LYS 30 5.361 -0.760 -11.244 234 3HZ LYS 30 HZ3 LYS 30 4.724 -1.771 -12.442 235 H LYS 31 HN LYS 31 3.998 1.146 -6.494 236 HA LYS 31 HA LYS 31 5.649 3.023 -7.755 237 1HB LYS 31 HB2 LYS 31 3.145 3.126 -6.957 238 2HB LYS 31 HB1 LYS 31 3.849 3.844 -5.519 239 1HG LYS 31 HG2 LYS 31 3.857 5.801 -6.544 240 2HG LYS 31 HG1 LYS 31 5.019 5.160 -7.708 241 1HD LYS 31 HD2 LYS 31 2.011 5.018 -7.929 242 2HD LYS 31 HD1 LYS 31 3.069 6.094 -8.841 243 1HE LYS 31 HE2 LYS 31 3.972 3.385 -9.115 244 2HE LYS 31 HE1 LYS 31 2.257 3.483 -9.512 245 1HZ LYS 31 HZ1 LYS 31 4.543 4.770 -10.830 246 2HZ LYS 31 HZ2 LYS 31 3.035 5.535 -10.882 247 3HZ LYS 31 HZ3 LYS 31 3.212 3.976 -11.513 248 H VAL 32 HN VAL 32 5.617 1.806 -4.492 249 HA VAL 32 HA VAL 32 7.411 3.851 -3.502 250 HB VAL 32 HB VAL 32 6.792 1.219 -2.168 251 1HG1 VAL 32 HG11 VAL 32 8.586 2.256 -1.085 252 2HG1 VAL 32 HG12 VAL 32 7.177 2.720 -0.134 253 3HG1 VAL 32 HG13 VAL 32 7.888 3.863 -1.274 254 1HG2 VAL 32 HG21 VAL 32 4.724 2.491 -2.821 255 2HG2 VAL 32 HG22 VAL 32 5.286 3.801 -1.783 256 3HG2 VAL 32 HG23 VAL 32 4.921 2.220 -1.090 257 H SER 33 HN SER 33 7.647 0.398 -4.347 258 HA SER 33 HA SER 33 10.465 0.275 -3.862 259 1HB SER 33 HB2 SER 33 8.344 -1.568 -4.693 260 2HB SER 33 HB1 SER 33 9.892 -1.882 -5.479 261 HG SER 33 HG SER 33 9.354 -2.835 -3.269 262 H ALA 34 HN ALA 34 8.982 2.033 -6.086 263 HA ALA 34 HA ALA 34 9.989 1.301 -8.571 264 1HB ALA 34 HB1 ALA 34 8.263 3.019 -8.212 265 2HB ALA 34 HB2 ALA 34 9.575 3.588 -9.245 266 3HB ALA 34 HB3 ALA 34 9.497 4.097 -7.558 267 H LYS 35 HN LYS 35 11.669 2.451 -5.820 268 HA LYS 35 HA LYS 35 13.968 3.281 -7.458 269 1HB LYS 35 HB2 LYS 35 13.206 3.793 -4.594 270 2HB LYS 35 HB1 LYS 35 14.852 4.030 -5.152 271 1HG LYS 35 HG2 LYS 35 13.787 6.137 -5.223 272 2HG LYS 35 HG1 LYS 35 13.947 5.589 -6.892 273 1HD LYS 35 HD2 LYS 35 11.753 6.548 -6.554 274 2HD LYS 35 HD1 LYS 35 11.604 4.812 -6.829 275 1HE LYS 35 HE2 LYS 35 10.154 5.234 -5.045 276 2HE LYS 35 HE1 LYS 35 11.607 4.604 -4.273 277 1HZ LYS 35 HZ1 LYS 35 10.716 6.563 -3.138 278 2HZ LYS 35 HZ2 LYS 35 10.943 7.485 -4.539 279 3HZ LYS 35 HZ3 LYS 35 12.279 6.837 -3.728 280 H THR 36 HN THR 36 12.805 0.679 -5.591 281 HA THR 36 HA THR 36 15.118 -0.879 -6.059 282 HB THR 36 HB THR 36 16.021 0.487 -4.232 283 HG1 THR 36 HG1 THR 36 15.656 -1.913 -2.917 284 1HG2 THR 36 HG21 THR 36 13.681 0.723 -3.125 285 2HG2 THR 36 HG22 THR 36 15.134 0.677 -2.126 286 3HG2 THR 36 HG23 THR 36 14.136 -0.766 -2.299 287 H SER 37 HN SER 37 14.925 -3.070 -5.178 288 HA SER 37 HA SER 37 12.115 -3.835 -5.005 289 1HB SER 37 HB2 SER 37 12.820 -6.052 -5.549 290 2HB SER 37 HB1 SER 37 13.709 -4.959 -6.609 291 HG SER 37 HG SER 37 14.653 -6.249 -4.265 292 H ASN 38 HN ASN 38 13.130 -2.564 -2.729 293 HA ASN 38 HA ASN 38 13.832 -4.561 -0.772 294 1HB ASN 38 HB2 ASN 38 13.369 -1.613 -0.730 295 2HB ASN 38 HB1 ASN 38 13.241 -2.499 0.787 296 1HD2 ASN 38 HD21 ASN 38 15.150 -4.291 0.773 297 2HD2 ASN 38 HD22 ASN 38 16.712 -3.577 0.590 298 H GLU 39 HN GLU 39 12.232 -6.044 -0.546 299 HA GLU 39 HA GLU 39 9.495 -5.534 -0.610 300 1HB GLU 39 HB2 GLU 39 11.191 -7.775 -0.113 301 2HB GLU 39 HB1 GLU 39 9.958 -7.734 1.137 302 1HG GLU 39 HG2 GLU 39 8.694 -8.846 -0.317 303 2HG GLU 39 HG1 GLU 39 8.493 -7.298 -1.130 304 H GLU 40 HN GLU 40 11.813 -5.136 1.927 305 HA GLU 40 HA GLU 40 9.807 -4.857 3.990 306 1HB GLU 40 HB2 GLU 40 12.798 -4.689 3.915 307 2HB GLU 40 HB1 GLU 40 11.905 -4.114 5.319 308 1HG GLU 40 HG2 GLU 40 10.758 -6.454 5.181 309 2HG GLU 40 HG1 GLU 40 12.204 -6.882 4.265 310 H ALA 41 HN ALA 41 11.466 -2.826 1.756 311 HA ALA 41 HA ALA 41 11.158 -0.377 3.212 312 1HB ALA 41 HB1 ALA 41 11.886 -1.090 0.406 313 2HB ALA 41 HB2 ALA 41 12.873 -0.299 1.640 314 3HB ALA 41 HB3 ALA 41 11.560 0.577 0.850 315 H ALA 42 HN ALA 42 9.866 -1.159 0.038 316 HA ALA 42 HA ALA 42 7.784 0.656 0.047 317 1HB ALA 42 HB1 ALA 42 8.492 -0.279 -2.011 318 2HB ALA 42 HB2 ALA 42 6.816 -0.786 -1.771 319 3HB ALA 42 HB3 ALA 42 8.134 -1.921 -1.466 320 H GLY 43 HN GLY 43 7.949 -2.611 1.328 321 1HA GLY 43 HA2 GLY 43 5.170 -2.984 1.709 322 2HA GLY 43 HA1 GLY 43 6.452 -3.814 2.582 323 H LYS 44 HN LYS 44 7.590 -1.186 3.446 324 HA LYS 44 HA LYS 44 6.123 -0.975 5.902 325 1HB LYS 44 HB2 LYS 44 8.680 -0.183 4.929 326 2HB LYS 44 HB1 LYS 44 7.877 1.260 5.531 327 1HG LYS 44 HG2 LYS 44 9.025 0.455 7.376 328 2HG LYS 44 HG1 LYS 44 7.379 -0.127 7.630 329 1HD LYS 44 HD2 LYS 44 8.010 -2.274 7.501 330 2HD LYS 44 HD1 LYS 44 9.023 -1.974 6.093 331 1HE LYS 44 HE2 LYS 44 10.602 -0.840 7.825 332 2HE LYS 44 HE1 LYS 44 9.713 -1.812 8.992 333 1HZ LYS 44 HZ1 LYS 44 11.608 -2.638 6.944 334 2HZ LYS 44 HZ2 LYS 44 10.278 -3.656 7.178 335 3HZ LYS 44 HZ3 LYS 44 11.307 -3.299 8.472 336 H ILE 45 HN ILE 45 6.821 1.358 3.322 337 HA ILE 45 HA ILE 45 5.065 3.361 4.171 338 HB ILE 45 HB ILE 45 6.075 2.688 1.409 339 1HG1 ILE 45 HG12 ILE 45 6.969 4.884 3.286 340 2HG1 ILE 45 HG11 ILE 45 7.753 3.308 3.189 341 1HG2 ILE 45 HG21 ILE 45 4.559 4.119 0.643 342 2HG2 ILE 45 HG22 ILE 45 5.508 5.381 1.427 343 3HG2 ILE 45 HG23 ILE 45 4.132 4.665 2.267 344 1HD1 ILE 45 HD11 ILE 45 7.378 4.851 0.691 345 2HD1 ILE 45 HD12 ILE 45 8.667 3.739 1.157 346 3HD1 ILE 45 HD13 ILE 45 8.621 5.371 1.827 347 H THR 46 HN THR 46 4.608 0.622 1.973 348 HA THR 46 HA THR 46 2.095 1.208 0.966 349 HB THR 46 HB THR 46 3.244 -1.491 1.695 350 HG1 THR 46 HG1 THR 46 3.215 -1.040 -0.900 351 1HG2 THR 46 HG21 THR 46 0.641 -0.864 0.743 352 2HG2 THR 46 HG22 THR 46 1.371 -2.445 1.019 353 3HG2 THR 46 HG23 THR 46 1.540 -1.657 -0.548 354 H GLY 47 HN GLY 47 2.992 -0.258 4.056 355 1HA GLY 47 HA2 GLY 47 0.396 -0.955 4.895 356 2HA GLY 47 HA1 GLY 47 1.763 -0.638 5.958 357 H MET 48 HN MET 48 2.068 2.077 4.756 358 HA MET 48 HA MET 48 0.291 3.448 6.554 359 1HB MET 48 HB2 MET 48 2.165 4.664 4.523 360 2HB MET 48 HB1 MET 48 1.510 5.427 5.969 361 1HG MET 48 HG2 MET 48 2.886 3.031 6.695 362 2HG MET 48 HG1 MET 48 3.930 4.030 5.688 363 1HE MET 48 HE1 MET 48 5.590 4.344 8.389 364 2HE MET 48 HE2 MET 48 5.571 6.072 8.035 365 3HE MET 48 HE3 MET 48 5.552 4.900 6.714 366 H ILE 49 HN ILE 49 0.857 3.525 3.018 367 HA ILE 49 HA ILE 49 -1.459 5.089 2.483 368 HB ILE 49 HB ILE 49 -0.194 3.247 0.468 369 1HG1 ILE 49 HG12 ILE 49 0.938 5.879 0.346 370 2HG1 ILE 49 HG11 ILE 49 1.192 5.225 1.961 371 1HG2 ILE 49 HG21 ILE 49 -1.012 4.708 -1.129 372 2HG2 ILE 49 HG22 ILE 49 -1.167 6.038 0.011 373 3HG2 ILE 49 HG23 ILE 49 -2.298 4.689 0.070 374 1HD1 ILE 49 HD11 ILE 49 2.689 3.735 1.246 375 2HD1 ILE 49 HD12 ILE 49 2.810 4.787 -0.162 376 3HD1 ILE 49 HD13 ILE 49 1.777 3.357 -0.211 377 H LEU 50 HN LEU 50 -1.199 2.017 3.626 378 HA LEU 50 HA LEU 50 -3.145 0.625 2.105 379 1HB LEU 50 HB2 LEU 50 -1.398 0.088 4.250 380 2HB LEU 50 HB1 LEU 50 -3.013 -0.307 4.804 381 HG LEU 50 HG LEU 50 -3.319 -1.859 2.972 382 1HD1 LEU 50 HD11 LEU 50 -0.529 -1.687 2.034 383 2HD1 LEU 50 HD12 LEU 50 -1.588 -0.364 1.546 384 3HD1 LEU 50 HD13 LEU 50 -2.011 -2.027 1.138 385 1HD2 LEU 50 HD21 LEU 50 -2.157 -3.504 3.964 386 2HD2 LEU 50 HD22 LEU 50 -1.744 -2.238 5.120 387 3HD2 LEU 50 HD23 LEU 50 -0.623 -2.646 3.825 388 H ASP 51 HN ASP 51 -3.613 3.367 3.739 389 HA ASP 51 HA ASP 51 -5.959 2.683 5.264 390 1HB ASP 51 HB2 ASP 51 -4.491 5.231 4.668 391 2HB ASP 51 HB1 ASP 51 -6.110 5.282 5.362 392 H LEU 52 HN LEU 52 -5.234 3.814 2.046 393 HA LEU 52 HA LEU 52 -7.842 4.831 1.475 394 1HB LEU 52 HB2 LEU 52 -5.637 3.879 -0.356 395 2HB LEU 52 HB1 LEU 52 -7.118 4.628 -0.918 396 HG LEU 52 HG LEU 52 -5.425 6.295 -0.959 397 1HD1 LEU 52 HD11 LEU 52 -6.401 7.997 0.274 398 2HD1 LEU 52 HD12 LEU 52 -6.827 6.920 1.608 399 3HD1 LEU 52 HD13 LEU 52 -7.715 6.830 0.086 400 1HD2 LEU 52 HD21 LEU 52 -4.852 6.030 1.952 401 2HD2 LEU 52 HD22 LEU 52 -3.853 6.700 0.661 402 3HD2 LEU 52 HD23 LEU 52 -4.057 4.956 0.804 403 HA PRO 53 HA PRO 53 -10.058 1.001 1.211 404 1HB PRO 53 HB2 PRO 53 -11.557 2.300 -0.986 405 2HB PRO 53 HB1 PRO 53 -12.151 1.562 0.502 406 1HG PRO 53 HG2 PRO 53 -12.057 4.240 0.140 407 2HG PRO 53 HG1 PRO 53 -11.871 3.476 1.726 408 1HD PRO 53 HD2 PRO 53 -9.841 4.757 -0.002 409 2HD PRO 53 HD1 PRO 53 -9.862 4.553 1.757 410 HA PRO 54 HA PRO 54 -8.296 -1.510 -1.923 411 1HB PRO 54 HB2 PRO 54 -11.103 -2.334 -2.543 412 2HB PRO 54 HB1 PRO 54 -9.673 -3.334 -2.260 413 1HG PRO 54 HG2 PRO 54 -11.522 -3.022 -0.366 414 2HG PRO 54 HG1 PRO 54 -9.798 -3.103 0.037 415 1HD PRO 54 HD2 PRO 54 -11.630 -0.768 0.019 416 2HD PRO 54 HD1 PRO 54 -10.191 -1.070 1.012 417 H GLN 55 HN GLN 55 -11.484 -0.558 -3.214 418 HA GLN 55 HA GLN 55 -10.374 -0.110 -5.826 419 1HB GLN 55 HB2 GLN 55 -13.125 0.744 -4.958 420 2HB GLN 55 HB1 GLN 55 -12.581 0.274 -6.562 421 1HG GLN 55 HG2 GLN 55 -13.490 -1.702 -6.112 422 2HG GLN 55 HG1 GLN 55 -12.083 -1.978 -5.087 423 1HE2 GLN 55 HE21 GLN 55 -15.425 -0.933 -5.135 424 2HE2 GLN 55 HE22 GLN 55 -15.745 -1.239 -3.466 425 H GLU 56 HN GLU 56 -11.482 1.933 -3.176 426 HA GLU 56 HA GLU 56 -11.416 4.388 -4.550 427 1HB GLU 56 HB2 GLU 56 -12.265 3.588 -2.105 428 2HB GLU 56 HB1 GLU 56 -10.806 4.464 -1.670 429 1HG GLU 56 HG2 GLU 56 -12.033 6.307 -1.726 430 2HG GLU 56 HG1 GLU 56 -12.069 6.128 -3.481 431 H VAL 57 HN VAL 57 -8.813 2.429 -3.646 432 HA VAL 57 HA VAL 57 -6.966 4.624 -3.184 433 HB VAL 57 HB VAL 57 -6.608 2.534 -1.964 434 1HG1 VAL 57 HG11 VAL 57 -7.020 1.350 -4.536 435 2HG1 VAL 57 HG12 VAL 57 -6.934 0.583 -2.949 436 3HG1 VAL 57 HG13 VAL 57 -5.462 0.839 -3.885 437 1HG2 VAL 57 HG21 VAL 57 -4.544 3.586 -3.823 438 2HG2 VAL 57 HG22 VAL 57 -4.177 2.110 -2.931 439 3HG2 VAL 57 HG23 VAL 57 -4.588 3.587 -2.059 440 H PHE 58 HN PHE 58 -7.957 2.518 -5.763 441 HA PHE 58 HA PHE 58 -6.024 2.502 -7.617 442 1HB PHE 58 HB2 PHE 58 -8.895 3.272 -8.170 443 2HB PHE 58 HB1 PHE 58 -7.743 2.739 -9.384 444 HD1 PHE 58 HD1 PHE 58 -9.896 1.236 -9.657 445 HD2 PHE 58 HD2 PHE 58 -7.061 0.893 -6.500 446 HE1 PHE 58 HE1 PHE 58 -10.607 -1.082 -9.281 447 HE2 PHE 58 HE2 PHE 58 -7.772 -1.433 -6.117 448 HZ PHE 58 HZ PHE 58 -9.547 -2.418 -7.518 449 HA PRO 59 HA PRO 59 -7.014 7.029 -9.186 450 1HB PRO 59 HB2 PRO 59 -8.045 8.675 -7.233 451 2HB PRO 59 HB1 PRO 59 -9.009 7.870 -8.474 452 1HG PRO 59 HG2 PRO 59 -8.509 7.053 -5.638 453 2HG PRO 59 HG1 PRO 59 -10.023 7.022 -6.563 454 1HD PRO 59 HD2 PRO 59 -8.607 4.795 -6.166 455 2HD PRO 59 HD1 PRO 59 -9.424 5.093 -7.715 456 H LEU 60 HN LEU 60 -6.286 6.699 -5.710 457 HA LEU 60 HA LEU 60 -4.422 8.809 -5.609 458 1HB LEU 60 HB2 LEU 60 -5.263 8.128 -3.552 459 2HB LEU 60 HB1 LEU 60 -5.036 6.427 -3.901 460 HG LEU 60 HG LEU 60 -2.460 7.598 -3.867 461 1HD1 LEU 60 HD11 LEU 60 -4.230 9.050 -2.194 462 2HD1 LEU 60 HD12 LEU 60 -2.487 9.229 -2.407 463 3HD1 LEU 60 HD13 LEU 60 -3.118 8.118 -1.187 464 1HD2 LEU 60 HD21 LEU 60 -2.004 5.864 -2.477 465 2HD2 LEU 60 HD22 LEU 60 -3.559 5.296 -3.088 466 3HD2 LEU 60 HD23 LEU 60 -3.464 6.100 -1.518 467 H LEU 61 HN LEU 61 -3.927 5.287 -5.817 468 HA LEU 61 HA LEU 61 -1.134 5.385 -6.092 469 1HB LEU 61 HB2 LEU 61 -1.443 3.063 -7.088 470 2HB LEU 61 HB1 LEU 61 -2.011 3.326 -5.456 471 HG LEU 61 HG LEU 61 -4.273 3.851 -6.865 472 1HD1 LEU 61 HD11 LEU 61 -2.528 2.432 -8.648 473 2HD1 LEU 61 HD12 LEU 61 -4.137 3.085 -8.930 474 3HD1 LEU 61 HD13 LEU 61 -3.955 1.467 -8.268 475 1HD2 LEU 61 HD21 LEU 61 -4.871 2.368 -5.322 476 2HD2 LEU 61 HD22 LEU 61 -3.224 1.763 -5.188 477 3HD2 LEU 61 HD23 LEU 61 -4.319 1.093 -6.397 478 H GLU 62 HN GLU 62 -3.430 6.432 -8.315 479 HA GLU 62 HA GLU 62 -1.735 5.754 -10.611 480 1HB GLU 62 HB2 GLU 62 -4.614 6.499 -10.297 481 2HB GLU 62 HB1 GLU 62 -3.812 6.812 -11.829 482 1HG GLU 62 HG2 GLU 62 -4.136 4.144 -10.478 483 2HG GLU 62 HG1 GLU 62 -4.969 4.709 -11.923 484 H SER 63 HN SER 63 -2.381 8.286 -8.478 485 HA SER 63 HA SER 63 -1.519 10.301 -10.443 486 1HB SER 63 HB2 SER 63 -2.823 10.769 -7.756 487 2HB SER 63 HB1 SER 63 -2.518 11.974 -9.008 488 HG SER 63 HG SER 63 -4.461 11.464 -9.626 489 H ASP 64 HN ASP 64 0.484 11.017 -10.313 490 HA ASP 64 HA ASP 64 2.350 10.164 -8.412 491 1HB ASP 64 HB2 ASP 64 2.504 11.381 -10.832 492 2HB ASP 64 HB1 ASP 64 2.914 12.729 -9.778 493 H GLU 65 HN GLU 65 0.674 13.278 -8.734 494 HA GLU 65 HA GLU 65 1.884 14.574 -6.570 495 1HB GLU 65 HB2 GLU 65 -0.803 14.921 -7.880 496 2HB GLU 65 HB1 GLU 65 -0.261 15.957 -6.568 497 1HG GLU 65 HG2 GLU 65 1.416 16.916 -7.849 498 2HG GLU 65 HG1 GLU 65 1.413 15.593 -9.016 499 H LEU 66 HN LEU 66 -1.180 12.798 -6.736 500 HA LEU 66 HA LEU 66 -1.884 13.107 -4.043 501 1HB LEU 66 HB2 LEU 66 -2.962 11.907 -6.320 502 2HB LEU 66 HB1 LEU 66 -2.823 10.608 -5.150 503 HG LEU 66 HG LEU 66 -5.028 11.732 -5.120 504 1HD1 LEU 66 HD11 LEU 66 -3.917 12.465 -2.495 505 2HD1 LEU 66 HD12 LEU 66 -3.579 10.816 -3.036 506 3HD1 LEU 66 HD13 LEU 66 -5.246 11.380 -2.911 507 1HD2 LEU 66 HD21 LEU 66 -5.301 13.972 -4.435 508 2HD2 LEU 66 HD22 LEU 66 -4.033 14.005 -5.659 509 3HD2 LEU 66 HD23 LEU 66 -3.610 14.115 -3.951 510 H PHE 67 HN PHE 67 0.369 10.971 -5.568 511 HA PHE 67 HA PHE 67 0.503 9.087 -3.402 512 1HB PHE 67 HB2 PHE 67 1.234 8.815 -5.936 513 2HB PHE 67 HB1 PHE 67 2.773 9.412 -5.318 514 HD1 PHE 67 HD1 PHE 67 4.321 7.821 -4.568 515 HD2 PHE 67 HD2 PHE 67 0.158 6.922 -4.464 516 HE1 PHE 67 HE1 PHE 67 4.832 5.552 -3.769 517 HE2 PHE 67 HE2 PHE 67 0.675 4.664 -3.668 518 HZ PHE 67 HZ PHE 67 2.991 3.968 -3.321 519 H GLU 68 HN GLU 68 2.688 11.619 -4.626 520 HA GLU 68 HA GLU 68 4.732 11.519 -2.851 521 1HB GLU 68 HB2 GLU 68 3.368 13.950 -3.994 522 2HB GLU 68 HB1 GLU 68 4.886 14.025 -3.112 523 1HG GLU 68 HG2 GLU 68 5.882 12.490 -4.777 524 2HG GLU 68 HG1 GLU 68 4.371 12.551 -5.683 525 H GLN 69 HN GLN 69 1.632 13.178 -2.263 526 HA GLN 69 HA GLN 69 2.275 14.234 0.256 527 1HB GLN 69 HB2 GLN 69 -0.189 13.767 -1.293 528 2HB GLN 69 HB1 GLN 69 -0.408 13.872 0.449 529 1HG GLN 69 HG2 GLN 69 0.951 15.937 -1.267 530 2HG GLN 69 HG1 GLN 69 -0.705 16.028 -0.668 531 1HE2 GLN 69 HE21 GLN 69 0.232 18.095 0.158 532 2HE2 GLN 69 HE22 GLN 69 0.955 18.062 1.727 533 H HIS 70 HN HIS 70 0.275 11.372 -0.444 534 HA HIS 70 HA HIS 70 0.156 10.497 2.235 535 1HB HIS 70 HB2 HIS 70 -0.466 9.291 -0.414 536 2HB HIS 70 HB1 HIS 70 -0.264 8.185 0.942 537 HD2 HIS 70 HD2 HIS 70 -2.972 10.333 -0.609 538 HE1 HIS 70 HE1 HIS 70 -4.276 9.461 3.333 539 HE2 HIS 70 HE2 HIS 70 -4.931 10.364 1.073 540 H TYR 71 HN TYR 71 2.205 9.417 -0.464 541 HA TYR 71 HA TYR 71 3.734 7.601 1.062 542 1HB TYR 71 HB2 TYR 71 3.876 7.167 -1.194 543 2HB TYR 71 HB1 TYR 71 3.937 8.866 -1.629 544 HD1 TYR 71 HD1 TYR 71 5.981 9.902 -2.112 545 HD2 TYR 71 HD2 TYR 71 5.964 6.100 -0.212 546 HE1 TYR 71 HE1 TYR 71 8.411 9.727 -2.456 547 HE2 TYR 71 HE2 TYR 71 8.388 5.914 -0.542 548 HH TYR 71 HH TYR 71 10.320 8.560 -1.561 549 H LYS 72 HN LYS 72 3.671 10.979 1.083 550 HA LYS 72 HA LYS 72 6.376 11.636 1.479 551 1HB LYS 72 HB2 LYS 72 3.978 13.023 1.373 552 2HB LYS 72 HB1 LYS 72 4.517 13.273 3.024 553 1HG LYS 72 HG2 LYS 72 6.241 14.579 2.404 554 2HG LYS 72 HG1 LYS 72 6.561 13.647 0.939 555 1HD LYS 72 HD2 LYS 72 4.773 14.721 -0.224 556 2HD LYS 72 HD1 LYS 72 4.193 15.484 1.259 557 1HE LYS 72 HE2 LYS 72 6.862 16.016 -0.041 558 2HE LYS 72 HE1 LYS 72 5.435 17.037 -0.207 559 1HZ LYS 72 HZ1 LYS 72 7.363 17.178 1.758 560 2HZ LYS 72 HZ2 LYS 72 5.998 16.541 2.529 561 3HZ LYS 72 HZ3 LYS 72 5.896 18.018 1.710 562 H GLU 73 HN GLU 73 3.823 11.486 3.968 563 HA GLU 73 HA GLU 73 5.472 11.567 6.190 564 1HB GLU 73 HB2 GLU 73 2.850 10.099 5.851 565 2HB GLU 73 HB1 GLU 73 3.616 10.420 7.400 566 1HG GLU 73 HG2 GLU 73 3.517 12.897 6.653 567 2HG GLU 73 HG1 GLU 73 2.306 12.318 5.510 568 H ALA 74 HN ALA 74 4.402 8.770 4.338 569 HA ALA 74 HA ALA 74 5.620 6.817 5.979 570 1HB ALA 74 HB1 ALA 74 5.414 6.083 3.185 571 2HB ALA 74 HB2 ALA 74 3.931 6.802 3.803 572 3HB ALA 74 HB3 ALA 74 4.621 5.386 4.594 573 H SER 75 HN SER 75 6.766 8.776 3.305 574 HA SER 75 HA SER 75 9.053 7.333 2.615 575 1HB SER 75 HB2 SER 75 8.415 9.165 1.213 576 2HB SER 75 HB1 SER 75 8.513 10.312 2.549 577 HG SER 75 HG SER 75 10.731 10.085 2.553 578 H ALA 76 HN ALA 76 8.729 10.017 4.940 579 HA ALA 76 HA ALA 76 11.286 10.163 5.914 580 1HB ALA 76 HB1 ALA 76 10.010 11.740 6.932 581 2HB ALA 76 HB2 ALA 76 9.954 10.530 8.213 582 3HB ALA 76 HB3 ALA 76 8.613 10.671 7.077 583 H ALA 77 HN ALA 77 8.805 7.795 6.673 584 HA ALA 77 HA ALA 77 10.361 6.441 8.686 585 1HB ALA 77 HB1 ALA 77 8.584 4.848 8.767 586 2HB ALA 77 HB2 ALA 77 7.961 5.384 7.206 587 3HB ALA 77 HB3 ALA 77 7.861 6.448 8.608 588 H TYR 78 HN TYR 78 10.017 6.289 5.267 589 HA TYR 78 HA TYR 78 10.835 3.714 4.623 590 1HB TYR 78 HB2 TYR 78 10.088 5.618 3.073 591 2HB TYR 78 HB1 TYR 78 11.748 6.188 3.145 592 HD1 TYR 78 HD1 TYR 78 10.194 5.371 0.664 593 HD2 TYR 78 HD2 TYR 78 12.840 3.195 3.183 594 HE1 TYR 78 HE1 TYR 78 10.769 3.891 -1.224 595 HE2 TYR 78 HE2 TYR 78 13.426 1.722 1.324 596 HH TYR 78 HH TYR 78 13.429 1.831 -1.182 597 H GLU 79 HN GLU 79 12.837 6.619 5.004 598 HA GLU 79 HA GLU 79 15.314 5.270 4.805 599 1HB GLU 79 HB2 GLU 79 14.387 7.990 5.428 600 2HB GLU 79 HB1 GLU 79 15.920 7.551 6.169 601 1HG GLU 79 HG2 GLU 79 16.707 6.854 3.894 602 2HG GLU 79 HG1 GLU 79 15.235 7.575 3.247 603 H SER 80 HN SER 80 13.358 6.275 7.588 604 HA SER 80 HA SER 80 15.191 5.727 9.593 605 1HB SER 80 HB2 SER 80 12.761 6.777 9.647 606 2HB SER 80 HB1 SER 80 12.306 5.126 10.067 607 HG SER 80 HG SER 80 14.320 6.600 11.411 608 H PHE 81 HN PHE 81 12.684 3.625 8.220 609 HA PHE 81 HA PHE 81 13.377 1.358 9.763 610 1HB PHE 81 HB2 PHE 81 11.686 1.839 7.340 611 2HB PHE 81 HB1 PHE 81 12.060 0.189 7.828 612 HD1 PHE 81 HD1 PHE 81 11.618 -0.322 10.380 613 HD2 PHE 81 HD2 PHE 81 9.807 2.838 8.179 614 HE1 PHE 81 HE1 PHE 81 9.775 -0.247 12.010 615 HE2 PHE 81 HE2 PHE 81 7.962 2.919 9.805 616 HZ PHE 81 HZ PHE 81 7.946 1.375 11.723 617 H LYS 82 HN LYS 82 13.967 2.163 6.342 618 HA LYS 82 HA LYS 82 15.438 -0.095 5.675 619 1HB LYS 82 HB2 LYS 82 15.252 2.662 4.577 620 2HB LYS 82 HB1 LYS 82 16.545 1.618 4.002 621 1HG LYS 82 HG2 LYS 82 13.606 0.971 3.928 622 2HG LYS 82 HG1 LYS 82 14.586 1.510 2.565 623 1HD LYS 82 HD2 LYS 82 15.077 -0.616 2.141 624 2HD LYS 82 HD1 LYS 82 15.952 -0.677 3.672 625 1HE LYS 82 HE2 LYS 82 13.512 -1.052 4.631 626 2HE LYS 82 HE1 LYS 82 13.219 -1.637 2.994 627 1HZ LYS 82 HZ1 LYS 82 14.654 -3.386 3.262 628 2HZ LYS 82 HZ2 LYS 82 14.026 -3.262 4.828 629 3HZ LYS 82 HZ3 LYS 82 15.555 -2.627 4.478 630 H LYS 83 HN LYS 83 16.646 3.084 6.760 631 HA LYS 83 HA LYS 83 19.371 2.352 6.765 632 1HB LYS 83 HB2 LYS 83 17.892 4.522 8.253 633 2HB LYS 83 HB1 LYS 83 19.640 4.353 8.277 634 1HG LYS 83 HG2 LYS 83 18.461 4.401 5.593 635 2HG LYS 83 HG1 LYS 83 18.248 5.885 6.522 636 1HD LYS 83 HD2 LYS 83 20.803 5.545 7.037 637 2HD LYS 83 HD1 LYS 83 20.753 4.585 5.557 638 1HE LYS 83 HE2 LYS 83 21.249 6.645 4.691 639 2HE LYS 83 HE1 LYS 83 19.488 6.692 4.623 640 1HZ LYS 83 HZ1 LYS 83 20.892 7.704 7.004 641 2HZ LYS 83 HZ2 LYS 83 19.372 8.131 6.401 642 3HZ LYS 83 HZ3 LYS 83 20.772 8.676 5.624 643 H GLU 84 HN GLU 84 16.817 1.792 9.054 644 HA GLU 84 HA GLU 84 18.443 1.368 11.339 645 1HB GLU 84 HB2 GLU 84 15.979 1.765 11.408 646 2HB GLU 84 HB1 GLU 84 15.738 0.151 10.756 647 1HG GLU 84 HG2 GLU 84 16.333 -0.878 12.706 648 2HG GLU 84 HG1 GLU 84 17.370 0.452 13.219 649 H GLN 85 HN GLN 85 17.476 -0.629 8.648 650 HA GLN 85 HA GLN 85 18.508 -3.056 9.858 651 1HB GLN 85 HB2 GLN 85 17.153 -2.389 7.267 652 2HB GLN 85 HB1 GLN 85 18.008 -3.915 7.441 653 1HG GLN 85 HG2 GLN 85 16.449 -4.792 8.803 654 2HG GLN 85 HG1 GLN 85 16.122 -3.253 9.601 655 1HE2 GLN 85 HE21 GLN 85 15.311 -1.615 7.702 656 2HE2 GLN 85 HE22 GLN 85 13.903 -2.208 6.896 657 H GLU 86 HN GLU 86 20.490 -1.203 9.789 658 HA GLU 86 HA GLU 86 22.092 -1.433 7.424 659 1HB GLU 86 HB2 GLU 86 23.771 -0.183 8.708 660 2HB GLU 86 HB1 GLU 86 22.190 0.584 8.785 661 1HG GLU 86 HG2 GLU 86 22.635 0.708 10.975 662 2HG GLU 86 HG1 GLU 86 22.078 -0.963 10.989 663 H GLN 87 HN GLN 87 21.621 -3.342 10.207 664 HA GLN 87 HA GLN 87 24.245 -4.521 10.242 665 1HB GLN 87 HB2 GLN 87 21.913 -4.544 11.915 666 2HB GLN 87 HB1 GLN 87 22.401 -6.200 11.583 667 1HG GLN 87 HG2 GLN 87 24.248 -6.042 12.836 668 2HG GLN 87 HG1 GLN 87 24.600 -4.401 12.300 669 1HE2 GLN 87 HE21 GLN 87 24.570 -5.694 14.988 670 2HE2 GLN 87 HE22 GLN 87 23.548 -4.688 15.952 671 H GLN 88 HN GLN 88 20.991 -5.726 9.420 672 HA GLN 88 HA GLN 88 22.054 -8.114 8.229 673 1HB GLN 88 HB2 GLN 88 19.427 -7.063 8.934 674 2HB GLN 88 HB1 GLN 88 19.420 -7.897 7.387 675 1HG GLN 88 HG2 GLN 88 20.125 -9.917 8.349 676 2HG GLN 88 HG1 GLN 88 20.614 -9.128 9.847 677 1HE2 GLN 88 HE21 GLN 88 18.957 -11.352 9.789 678 2HE2 GLN 88 HE22 GLN 88 17.386 -10.894 10.344 679 H THR 89 HN THR 89 23.255 -7.778 6.443 680 HA THR 89 HA THR 89 22.300 -5.953 4.376 681 HB THR 89 HB THR 89 24.845 -7.583 4.379 682 HG1 THR 89 HG1 THR 89 24.832 -6.252 6.202 683 1HG2 THR 89 HG21 THR 89 24.054 -5.081 2.912 684 2HG2 THR 89 HG22 THR 89 24.376 -6.669 2.216 685 3HG2 THR 89 HG23 THR 89 25.685 -5.749 2.958 686 H GLU 90 HN GLU 90 20.535 -7.075 3.549 687 HA GLU 90 HA GLU 90 20.593 -9.792 2.778 688 1HB GLU 90 HB2 GLU 90 18.541 -9.227 1.472 689 2HB GLU 90 HB1 GLU 90 18.474 -8.724 3.155 690 1HG GLU 90 HG2 GLU 90 19.208 -6.434 2.349 691 2HG GLU 90 HG1 GLU 90 18.870 -7.016 0.720 692 H GLN 91 HN GLN 91 21.488 -6.836 1.143 693 HA GLN 91 HA GLN 91 21.820 -8.198 -1.407 694 1HB GLN 91 HB2 GLN 91 21.789 -5.392 -0.473 695 2HB GLN 91 HB1 GLN 91 22.865 -5.731 -1.820 696 1HG GLN 91 HG2 GLN 91 20.150 -6.835 -2.056 697 2HG GLN 91 HG1 GLN 91 20.269 -5.077 -2.082 698 1HE2 GLN 91 HE21 GLN 91 21.311 -8.036 -3.639 699 2HE2 GLN 91 HE22 GLN 91 21.716 -7.319 -5.158 700 H ALA 92 HN ALA 92 24.021 -7.176 -2.518 701 HA ALA 92 HA ALA 92 26.156 -8.406 -0.944 702 1HB ALA 92 HB1 ALA 92 27.350 -7.897 -3.280 703 2HB ALA 92 HB2 ALA 92 25.674 -7.929 -3.825 704 3HB ALA 92 HB3 ALA 92 26.363 -9.330 -3.004 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -36.173 -18.783 2.833 2 2H GLY 1 HT2 GLY 1 -36.241 -18.352 4.466 3 3H GLY 1 HT3 GLY 1 -36.877 -19.834 3.956 4 1HA GLY 1 HA1 GLY 1 -34.307 -19.313 4.873 5 2HA GLY 1 HA2 GLY 1 -34.947 -20.834 4.270 6 HA PRO 2 HA PRO 2 -32.658 -20.907 0.502 7 1HB PRO 2 HB2 PRO 2 -34.958 -19.865 -1.086 8 2HB PRO 2 HB1 PRO 2 -33.939 -21.280 -1.375 9 1HG PRO 2 HG2 PRO 2 -36.397 -21.558 -0.397 10 2HG PRO 2 HG1 PRO 2 -35.066 -22.576 0.182 11 1HD PRO 2 HD2 PRO 2 -36.405 -20.269 1.511 12 2HD PRO 2 HD1 PRO 2 -35.703 -21.734 2.224 13 H LEU 3 HN LEU 3 -31.647 -19.618 -1.158 14 HA LEU 3 HA LEU 3 -31.389 -16.849 -0.370 15 1HB LEU 3 HB2 LEU 3 -29.653 -18.721 -1.366 16 2HB LEU 3 HB1 LEU 3 -29.981 -17.751 -2.788 17 HG LEU 3 HG LEU 3 -28.920 -16.700 -0.161 18 1HD1 LEU 3 HD11 LEU 3 -27.336 -18.114 -1.462 19 2HD1 LEU 3 HD12 LEU 3 -26.819 -16.438 -1.277 20 3HD1 LEU 3 HD13 LEU 3 -27.507 -16.985 -2.806 21 1HD2 LEU 3 HD21 LEU 3 -30.316 -15.335 -2.122 22 2HD2 LEU 3 HD22 LEU 3 -28.628 -15.012 -2.499 23 3HD2 LEU 3 HD23 LEU 3 -29.263 -14.627 -0.900 24 H GLY 4 HN GLY 4 -32.144 -15.095 -1.451 25 1HA GLY 4 HA2 GLY 4 -34.110 -15.528 -3.516 26 2HA GLY 4 HA1 GLY 4 -33.666 -13.986 -2.802 27 H SER 5 HN SER 5 -31.681 -16.400 -4.508 28 HA SER 5 HA SER 5 -30.624 -14.280 -6.198 29 1HB SER 5 HB2 SER 5 -28.928 -15.900 -6.852 30 2HB SER 5 HB1 SER 5 -29.077 -15.886 -5.095 31 HG SER 5 HG SER 5 -30.208 -17.772 -6.887 32 HA PRO 6 HA PRO 6 -33.518 -15.562 -9.380 33 1HB PRO 6 HB2 PRO 6 -32.772 -13.757 -11.251 34 2HB PRO 6 HB1 PRO 6 -33.754 -13.319 -9.848 35 1HG PRO 6 HG2 PRO 6 -30.806 -12.992 -10.270 36 2HG PRO 6 HG1 PRO 6 -31.973 -11.838 -9.597 37 1HD PRO 6 HD2 PRO 6 -30.346 -13.337 -8.036 38 2HD PRO 6 HD1 PRO 6 -31.976 -12.854 -7.527 39 H ARG 7 HN ARG 7 -30.062 -15.103 -9.912 40 HA ARG 7 HA ARG 7 -30.049 -16.655 -12.344 41 1HB ARG 7 HB2 ARG 7 -27.574 -16.370 -12.189 42 2HB ARG 7 HB1 ARG 7 -28.467 -14.855 -12.174 43 1HG ARG 7 HG2 ARG 7 -27.929 -15.973 -9.521 44 2HG ARG 7 HG1 ARG 7 -26.492 -15.517 -10.436 45 1HD ARG 7 HD2 ARG 7 -27.228 -13.277 -10.652 46 2HD ARG 7 HD1 ARG 7 -28.851 -13.681 -10.096 47 HE ARG 7 HE ARG 7 -26.782 -14.208 -8.166 48 1HH1 ARG 7 HH11 ARG 7 -29.002 -11.822 -9.415 49 2HH1 ARG 7 HH12 ARG 7 -29.012 -10.887 -7.957 50 1HH2 ARG 7 HH21 ARG 7 -26.792 -12.984 -6.250 51 2HH2 ARG 7 HH22 ARG 7 -27.754 -11.547 -6.158 52 H ASN 8 HN ASN 8 -29.153 -18.692 -12.635 53 HA ASN 8 HA ASN 8 -29.116 -20.346 -10.222 54 1HB ASN 8 HB2 ASN 8 -29.573 -20.897 -13.130 55 2HB ASN 8 HB1 ASN 8 -29.032 -22.203 -12.080 56 1HD2 ASN 8 HD21 ASN 8 -30.360 -22.805 -10.304 57 2HD2 ASN 8 HD22 ASN 8 -32.060 -22.503 -10.338 58 H ALA 9 HN ALA 9 -27.266 -20.111 -13.266 59 HA ALA 9 HA ALA 9 -25.022 -21.492 -12.101 60 1HB ALA 9 HB1 ALA 9 -24.561 -20.122 -14.645 61 2HB ALA 9 HB2 ALA 9 -25.944 -21.216 -14.655 62 3HB ALA 9 HB3 ALA 9 -24.347 -21.818 -14.211 63 H ASN 10 HN ASN 10 -23.869 -20.417 -10.618 64 HA ASN 10 HA ASN 10 -23.262 -17.584 -11.052 65 1HB ASN 10 HB2 ASN 10 -24.137 -18.699 -8.810 66 2HB ASN 10 HB1 ASN 10 -22.423 -19.029 -8.577 67 1HD2 ASN 10 HD21 ASN 10 -21.945 -17.636 -6.987 68 2HD2 ASN 10 HD22 ASN 10 -22.117 -15.920 -7.099 69 H ASP 11 HN ASP 11 -21.374 -17.010 -11.873 70 HA ASP 11 HA ASP 11 -19.324 -18.902 -12.428 71 1HB ASP 11 HB2 ASP 11 -19.725 -15.985 -12.860 72 2HB ASP 11 HB1 ASP 11 -18.074 -16.596 -12.927 73 H ASN 12 HN ASN 12 -18.391 -19.778 -10.647 74 HA ASN 12 HA ASN 12 -17.490 -18.097 -8.465 75 1HB ASN 12 HB2 ASN 12 -18.417 -20.601 -8.448 76 2HB ASN 12 HB1 ASN 12 -16.705 -20.967 -8.638 77 1HD2 ASN 12 HD21 ASN 12 -19.178 -19.971 -6.517 78 2HD2 ASN 12 HD22 ASN 12 -18.207 -19.786 -5.099 79 H ASN 13 HN ASN 13 -15.556 -17.194 -8.341 80 HA ASN 13 HA ASN 13 -13.202 -18.483 -9.382 81 1HB ASN 13 HB2 ASN 13 -14.607 -16.673 -11.052 82 2HB ASN 13 HB1 ASN 13 -13.149 -15.851 -10.510 83 1HD2 ASN 13 HD21 ASN 13 -11.159 -17.354 -10.575 84 2HD2 ASN 13 HD22 ASN 13 -10.957 -18.239 -12.043 85 H GLN 14 HN GLN 14 -11.320 -17.705 -8.465 86 HA GLN 14 HA GLN 14 -11.711 -15.792 -6.284 87 1HB GLN 14 HB2 GLN 14 -9.517 -17.790 -6.831 88 2HB GLN 14 HB1 GLN 14 -9.499 -16.656 -5.487 89 1HG GLN 14 HG2 GLN 14 -10.737 -18.015 -4.265 90 2HG GLN 14 HG1 GLN 14 -11.988 -18.052 -5.507 91 1HE2 GLN 14 HE21 GLN 14 -8.773 -19.403 -4.854 92 2HE2 GLN 14 HE22 GLN 14 -9.127 -20.983 -5.459 93 H PHE 15 HN PHE 15 -9.584 -16.405 -9.055 94 HA PHE 15 HA PHE 15 -8.161 -13.918 -8.620 95 1HB PHE 15 HB2 PHE 15 -7.112 -16.081 -9.483 96 2HB PHE 15 HB1 PHE 15 -7.898 -15.725 -11.017 97 HD1 PHE 15 HD1 PHE 15 -5.644 -14.154 -8.495 98 HD2 PHE 15 HD2 PHE 15 -6.781 -14.468 -12.585 99 HE1 PHE 15 HE1 PHE 15 -3.757 -12.706 -9.128 100 HE2 PHE 15 HE2 PHE 15 -4.896 -13.023 -13.224 101 HZ PHE 15 HZ PHE 15 -3.381 -12.140 -11.494 102 H TYR 16 HN TYR 16 -11.129 -14.184 -9.513 103 HA TYR 16 HA TYR 16 -11.060 -12.765 -12.048 104 1HB TYR 16 HB2 TYR 16 -12.742 -14.513 -11.709 105 2HB TYR 16 HB1 TYR 16 -13.394 -13.634 -10.332 106 HD1 TYR 16 HD1 TYR 16 -15.277 -12.351 -10.693 107 HD2 TYR 16 HD2 TYR 16 -12.631 -13.070 -13.943 108 HE1 TYR 16 HE1 TYR 16 -16.813 -11.161 -12.199 109 HE2 TYR 16 HE2 TYR 16 -14.156 -11.880 -15.460 110 HH TYR 16 HH TYR 16 -16.275 -11.054 -15.673 111 H GLN 17 HN GLN 17 -12.552 -12.208 -8.851 112 HA GLN 17 HA GLN 17 -12.736 -9.367 -9.427 113 1HB GLN 17 HB2 GLN 17 -13.862 -11.199 -7.380 114 2HB GLN 17 HB1 GLN 17 -13.611 -9.527 -6.895 115 1HG GLN 17 HG2 GLN 17 -15.152 -8.715 -8.403 116 2HG GLN 17 HG1 GLN 17 -15.032 -10.130 -9.446 117 1HE2 GLN 17 HE21 GLN 17 -15.992 -9.241 -6.151 118 2HE2 GLN 17 HE22 GLN 17 -17.357 -10.296 -6.080 119 H GLN 18 HN GLN 18 -10.949 -11.559 -7.334 120 HA GLN 18 HA GLN 18 -9.717 -9.650 -5.690 121 1HB GLN 18 HB2 GLN 18 -8.726 -12.356 -6.602 122 2HB GLN 18 HB1 GLN 18 -7.979 -11.406 -5.327 123 1HG GLN 18 HG2 GLN 18 -10.036 -11.527 -4.023 124 2HG GLN 18 HG1 GLN 18 -10.791 -12.478 -5.303 125 1HE2 GLN 18 HE21 GLN 18 -11.147 -14.200 -3.897 126 2HE2 GLN 18 HE22 GLN 18 -9.866 -15.235 -3.375 127 H LYS 19 HN LYS 19 -9.237 -10.420 -8.998 128 HA LYS 19 HA LYS 19 -6.535 -9.480 -9.175 129 1HB LYS 19 HB2 LYS 19 -7.623 -11.162 -10.724 130 2HB LYS 19 HB1 LYS 19 -8.501 -9.814 -11.435 131 1HG LYS 19 HG2 LYS 19 -6.004 -8.862 -11.618 132 2HG LYS 19 HG1 LYS 19 -5.671 -10.594 -11.702 133 1HD LYS 19 HD2 LYS 19 -7.338 -10.781 -13.526 134 2HD LYS 19 HD1 LYS 19 -7.543 -9.028 -13.477 135 1HE LYS 19 HE2 LYS 19 -4.828 -9.292 -13.677 136 2HE LYS 19 HE1 LYS 19 -5.404 -10.646 -14.649 137 1HZ LYS 19 HZ1 LYS 19 -5.555 -7.807 -15.163 138 2HZ LYS 19 HZ2 LYS 19 -6.986 -8.649 -15.485 139 3HZ LYS 19 HZ3 LYS 19 -5.548 -9.107 -16.248 140 H GLN 20 HN GLN 20 -9.697 -8.103 -9.472 141 HA GLN 20 HA GLN 20 -8.948 -5.714 -10.817 142 1HB GLN 20 HB2 GLN 20 -11.327 -6.135 -9.005 143 2HB GLN 20 HB1 GLN 20 -11.152 -4.909 -10.252 144 1HG GLN 20 HG2 GLN 20 -10.855 -7.680 -11.173 145 2HG GLN 20 HG1 GLN 20 -12.456 -7.245 -10.580 146 1HE2 GLN 20 HE21 GLN 20 -13.327 -5.165 -11.471 147 2HE2 GLN 20 HE22 GLN 20 -13.058 -4.855 -13.148 148 H ARG 21 HN ARG 21 -9.723 -6.357 -7.398 149 HA ARG 21 HA ARG 21 -9.042 -3.785 -6.464 150 1HB ARG 21 HB2 ARG 21 -9.006 -6.418 -4.992 151 2HB ARG 21 HB1 ARG 21 -8.992 -4.829 -4.241 152 1HG ARG 21 HG2 ARG 21 -11.204 -4.483 -5.571 153 2HG ARG 21 HG1 ARG 21 -11.218 -6.247 -5.630 154 1HD ARG 21 HD2 ARG 21 -10.953 -4.643 -3.091 155 2HD ARG 21 HD1 ARG 21 -12.482 -5.252 -3.715 156 HE ARG 21 HE ARG 21 -11.736 -7.469 -3.298 157 1HH1 ARG 21 HH11 ARG 21 -9.555 -5.026 -2.061 158 2HH1 ARG 21 HH12 ARG 21 -8.778 -6.110 -0.961 159 1HH2 ARG 21 HH21 ARG 21 -10.706 -8.880 -1.857 160 2HH2 ARG 21 HH22 ARG 21 -9.428 -8.296 -0.845 161 H GLN 22 HN GLN 22 -7.248 -6.840 -6.433 162 HA GLN 22 HA GLN 22 -4.872 -5.744 -5.346 163 1HB GLN 22 HB2 GLN 22 -5.823 -8.276 -5.813 164 2HB GLN 22 HB1 GLN 22 -4.545 -8.137 -7.012 165 1HG GLN 22 HG2 GLN 22 -2.922 -8.214 -5.472 166 2HG GLN 22 HG1 GLN 22 -3.819 -7.219 -4.324 167 1HE2 GLN 22 HE21 GLN 22 -5.945 -8.481 -3.621 168 2HE2 GLN 22 HE22 GLN 22 -5.636 -10.072 -3.024 169 H ALA 23 HN ALA 23 -6.244 -5.332 -8.375 170 HA ALA 23 HA ALA 23 -3.870 -5.403 -9.963 171 1HB ALA 23 HB1 ALA 23 -5.633 -5.591 -11.369 172 2HB ALA 23 HB2 ALA 23 -5.464 -3.837 -11.434 173 3HB ALA 23 HB3 ALA 23 -6.674 -4.568 -10.383 174 H LEU 24 HN LEU 24 -5.902 -2.553 -9.252 175 HA LEU 24 HA LEU 24 -3.759 -0.760 -9.715 176 1HB LEU 24 HB2 LEU 24 -6.564 -0.568 -8.815 177 2HB LEU 24 HB1 LEU 24 -5.520 0.768 -8.376 178 HG LEU 24 HG LEU 24 -6.706 1.235 -10.451 179 1HD1 LEU 24 HD11 LEU 24 -4.687 2.355 -10.463 180 2HD1 LEU 24 HD12 LEU 24 -4.602 1.437 -11.965 181 3HD1 LEU 24 HD13 LEU 24 -3.739 0.872 -10.536 182 1HD2 LEU 24 HD21 LEU 24 -5.588 -1.422 -11.198 183 2HD2 LEU 24 HD22 LEU 24 -5.853 -0.217 -12.457 184 3HD2 LEU 24 HD23 LEU 24 -7.202 -0.765 -11.462 185 H GLY 25 HN GLY 25 -5.149 -2.180 -6.796 186 1HA GLY 25 HA2 GLY 25 -3.847 -0.550 -4.917 187 2HA GLY 25 HA1 GLY 25 -4.386 -2.198 -4.626 188 H GLU 26 HN GLU 26 -2.792 -3.554 -6.489 189 HA GLU 26 HA GLU 26 -0.424 -3.918 -5.047 190 1HB GLU 26 HB2 GLU 26 -1.514 -5.508 -6.716 191 2HB GLU 26 HB1 GLU 26 -0.725 -4.571 -7.974 192 1HG GLU 26 HG2 GLU 26 1.421 -5.195 -7.222 193 2HG GLU 26 HG1 GLU 26 0.781 -5.839 -5.709 194 H GLN 27 HN GLN 27 -1.267 -1.690 -7.580 195 HA GLN 27 HA GLN 27 1.403 -0.997 -8.285 196 1HB GLN 27 HB2 GLN 27 0.275 -0.089 -9.983 197 2HB GLN 27 HB1 GLN 27 -1.244 -0.314 -9.135 198 1HG GLN 27 HG2 GLN 27 -1.436 1.877 -9.177 199 2HG GLN 27 HG1 GLN 27 -0.179 1.938 -7.954 200 1HE2 GLN 27 HE21 GLN 27 -1.124 3.302 -10.692 201 2HE2 GLN 27 HE22 GLN 27 0.396 3.740 -11.386 202 H LEU 28 HN LEU 28 -0.747 -0.147 -5.712 203 HA LEU 28 HA LEU 28 0.341 2.314 -4.903 204 1HB LEU 28 HB2 LEU 28 -1.722 1.095 -3.973 205 2HB LEU 28 HB1 LEU 28 -0.599 0.163 -3.003 206 HG LEU 28 HG LEU 28 0.229 2.544 -2.232 207 1HD1 LEU 28 HD11 LEU 28 -0.943 4.165 -3.241 208 2HD1 LEU 28 HD12 LEU 28 -2.176 3.784 -2.042 209 3HD1 LEU 28 HD13 LEU 28 -2.273 3.089 -3.658 210 1HD2 LEU 28 HD21 LEU 28 -2.151 2.272 -0.755 211 2HD2 LEU 28 HD22 LEU 28 -0.548 1.654 -0.351 212 3HD2 LEU 28 HD23 LEU 28 -1.680 0.643 -1.246 213 H TYR 29 HN TYR 29 1.344 -0.990 -4.531 214 HA TYR 29 HA TYR 29 3.547 -0.413 -2.759 215 1HB TYR 29 HB2 TYR 29 2.492 -2.563 -2.553 216 2HB TYR 29 HB1 TYR 29 2.716 -2.898 -4.266 217 HD1 TYR 29 HD1 TYR 29 4.338 -4.435 -4.759 218 HD2 TYR 29 HD2 TYR 29 4.874 -1.948 -1.349 219 HE1 TYR 29 HE1 TYR 29 6.454 -5.581 -4.265 220 HE2 TYR 29 HE2 TYR 29 7.004 -3.087 -0.850 221 HH TYR 29 HH TYR 29 8.764 -4.429 -2.339 222 H LYS 30 HN LYS 30 3.112 -1.068 -6.224 223 HA LYS 30 HA LYS 30 5.847 -1.200 -6.903 224 1HB LYS 30 HB2 LYS 30 3.629 -0.194 -8.689 225 2HB LYS 30 HB1 LYS 30 5.162 -0.891 -9.190 226 1HG LYS 30 HG2 LYS 30 4.509 -3.046 -8.654 227 2HG LYS 30 HG1 LYS 30 3.241 -2.497 -7.557 228 1HD LYS 30 HD2 LYS 30 1.798 -2.802 -9.232 229 2HD LYS 30 HD1 LYS 30 2.542 -1.411 -10.021 230 1HE LYS 30 HE2 LYS 30 3.692 -2.691 -11.497 231 2HE LYS 30 HE1 LYS 30 3.919 -4.007 -10.345 232 1HZ LYS 30 HZ1 LYS 30 1.238 -3.447 -11.430 233 2HZ LYS 30 HZ2 LYS 30 1.864 -4.899 -10.829 234 3HZ LYS 30 HZ3 LYS 30 2.349 -4.335 -12.348 235 H LYS 31 HN LYS 31 3.615 1.483 -6.597 236 HA LYS 31 HA LYS 31 5.180 3.510 -7.745 237 1HB LYS 31 HB2 LYS 31 2.681 3.394 -6.790 238 2HB LYS 31 HB1 LYS 31 3.463 4.153 -5.415 239 1HG LYS 31 HG2 LYS 31 2.818 5.995 -6.577 240 2HG LYS 31 HG1 LYS 31 4.430 5.755 -7.249 241 1HD LYS 31 HD2 LYS 31 1.927 4.632 -8.497 242 2HD LYS 31 HD1 LYS 31 2.600 6.203 -8.930 243 1HE LYS 31 HE2 LYS 31 3.979 3.532 -9.190 244 2HE LYS 31 HE1 LYS 31 3.314 4.493 -10.506 245 1HZ LYS 31 HZ1 LYS 31 5.842 4.598 -9.904 246 2HZ LYS 31 HZ2 LYS 31 5.319 5.728 -8.762 247 3HZ LYS 31 HZ3 LYS 31 5.015 5.987 -10.403 248 H VAL 32 HN VAL 32 5.036 2.251 -4.462 249 HA VAL 32 HA VAL 32 6.929 4.163 -3.414 250 HB VAL 32 HB VAL 32 6.891 2.755 -1.384 251 1HG1 VAL 32 HG11 VAL 32 4.366 3.025 -0.970 252 2HG1 VAL 32 HG12 VAL 32 4.323 3.707 -2.596 253 3HG1 VAL 32 HG13 VAL 32 5.309 4.466 -1.346 254 1HG2 VAL 32 HG21 VAL 32 4.919 1.062 -2.893 255 2HG2 VAL 32 HG22 VAL 32 5.389 0.881 -1.209 256 3HG2 VAL 32 HG23 VAL 32 6.565 0.593 -2.481 257 H SER 33 HN SER 33 7.001 0.765 -4.431 258 HA SER 33 HA SER 33 9.760 0.423 -3.758 259 1HB SER 33 HB2 SER 33 9.566 -1.746 -4.704 260 2HB SER 33 HB1 SER 33 7.998 -1.424 -3.965 261 HG SER 33 HG SER 33 7.556 -0.570 -6.260 262 H ALA 34 HN ALA 34 8.500 2.426 -5.924 263 HA ALA 34 HA ALA 34 9.694 1.872 -8.377 264 1HB ALA 34 HB1 ALA 34 8.104 3.537 -8.463 265 2HB ALA 34 HB2 ALA 34 9.601 4.465 -8.575 266 3HB ALA 34 HB3 ALA 34 8.737 4.363 -7.040 267 H LYS 35 HN LYS 35 11.224 2.498 -5.451 268 HA LYS 35 HA LYS 35 13.586 3.655 -6.754 269 1HB LYS 35 HB2 LYS 35 12.496 3.705 -3.994 270 2HB LYS 35 HB1 LYS 35 14.247 3.646 -4.141 271 1HG LYS 35 HG2 LYS 35 14.388 5.738 -4.999 272 2HG LYS 35 HG1 LYS 35 12.826 5.632 -5.810 273 1HD LYS 35 HD2 LYS 35 11.853 6.725 -4.137 274 2HD LYS 35 HD1 LYS 35 12.403 5.502 -2.990 275 1HE LYS 35 HE2 LYS 35 14.546 6.677 -2.779 276 2HE LYS 35 HE1 LYS 35 13.983 7.902 -3.915 277 1HZ LYS 35 HZ1 LYS 35 13.234 7.467 -1.124 278 2HZ LYS 35 HZ2 LYS 35 12.033 8.036 -2.169 279 3HZ LYS 35 HZ3 LYS 35 13.463 8.915 -1.970 280 H THR 36 HN THR 36 12.340 0.761 -5.358 281 HA THR 36 HA THR 36 14.437 -0.843 -6.267 282 HB THR 36 HB THR 36 15.835 0.120 -4.569 283 HG1 THR 36 HG1 THR 36 16.429 -1.891 -4.436 284 1HG2 THR 36 HG21 THR 36 13.870 -0.725 -2.465 285 2HG2 THR 36 HG22 THR 36 13.966 0.919 -3.099 286 3HG2 THR 36 HG23 THR 36 15.350 0.213 -2.265 287 H SER 37 HN SER 37 14.230 -3.115 -5.558 288 HA SER 37 HA SER 37 11.436 -3.749 -5.081 289 1HB SER 37 HB2 SER 37 12.044 -6.031 -5.694 290 2HB SER 37 HB1 SER 37 12.685 -4.896 -6.882 291 HG SER 37 HG SER 37 14.034 -6.406 -4.944 292 H ASN 38 HN ASN 38 12.774 -2.639 -2.884 293 HA ASN 38 HA ASN 38 13.475 -4.733 -1.022 294 1HB ASN 38 HB2 ASN 38 14.260 -2.203 -1.150 295 2HB ASN 38 HB1 ASN 38 12.851 -1.963 -0.132 296 1HD2 ASN 38 HD21 ASN 38 15.676 -1.625 0.457 297 2HD2 ASN 38 HD22 ASN 38 16.008 -2.637 1.815 298 H GLU 39 HN GLU 39 11.795 -6.054 -0.529 299 HA GLU 39 HA GLU 39 9.104 -5.319 -0.377 300 1HB GLU 39 HB2 GLU 39 10.638 -7.644 0.737 301 2HB GLU 39 HB1 GLU 39 8.915 -7.462 1.032 302 1HG GLU 39 HG2 GLU 39 8.456 -7.526 -1.329 303 2HG GLU 39 HG1 GLU 39 10.182 -7.568 -1.693 304 H GLU 40 HN GLU 40 11.625 -5.129 2.035 305 HA GLU 40 HA GLU 40 9.763 -4.732 4.202 306 1HB GLU 40 HB2 GLU 40 12.525 -5.317 3.985 307 2HB GLU 40 HB1 GLU 40 12.385 -3.801 4.868 308 1HG GLU 40 HG2 GLU 40 11.294 -4.760 6.627 309 2HG GLU 40 HG1 GLU 40 10.615 -6.055 5.642 310 H ALA 41 HN ALA 41 11.476 -2.775 1.934 311 HA ALA 41 HA ALA 41 11.136 -0.284 3.350 312 1HB ALA 41 HB1 ALA 41 12.988 -0.304 1.939 313 2HB ALA 41 HB2 ALA 41 11.780 0.610 1.043 314 3HB ALA 41 HB3 ALA 41 12.081 -1.062 0.632 315 H ALA 42 HN ALA 42 10.049 -1.270 0.135 316 HA ALA 42 HA ALA 42 8.036 0.622 -0.115 317 1HB ALA 42 HB1 ALA 42 8.709 -0.303 -2.114 318 2HB ALA 42 HB2 ALA 42 7.162 -1.107 -1.857 319 3HB ALA 42 HB3 ALA 42 8.665 -1.952 -1.489 320 H GLY 43 HN GLY 43 7.902 -2.712 1.102 321 1HA GLY 43 HA2 GLY 43 5.087 -2.844 1.348 322 2HA GLY 43 HA1 GLY 43 6.244 -3.849 2.209 323 H LYS 44 HN LYS 44 7.550 -1.373 3.300 324 HA LYS 44 HA LYS 44 6.018 -1.239 5.704 325 1HB LYS 44 HB2 LYS 44 8.644 -0.784 5.060 326 2HB LYS 44 HB1 LYS 44 8.045 0.843 5.328 327 1HG LYS 44 HG2 LYS 44 8.782 0.238 7.416 328 2HG LYS 44 HG1 LYS 44 7.062 -0.135 7.511 329 1HD LYS 44 HD2 LYS 44 8.944 -2.265 6.611 330 2HD LYS 44 HD1 LYS 44 8.888 -1.854 8.326 331 1HE LYS 44 HE2 LYS 44 6.446 -2.220 8.299 332 2HE LYS 44 HE1 LYS 44 6.563 -2.717 6.613 333 1HZ LYS 44 HZ1 LYS 44 7.813 -4.606 7.202 334 2HZ LYS 44 HZ2 LYS 44 6.523 -4.554 8.296 335 3HZ LYS 44 HZ3 LYS 44 8.064 -4.058 8.783 336 H ILE 45 HN ILE 45 7.061 1.364 3.513 337 HA ILE 45 HA ILE 45 5.327 3.284 4.556 338 HB ILE 45 HB ILE 45 5.740 4.542 2.473 339 1HG1 ILE 45 HG12 ILE 45 7.287 2.079 1.657 340 2HG1 ILE 45 HG11 ILE 45 5.843 2.711 0.865 341 1HG2 ILE 45 HG21 ILE 45 7.273 4.659 4.363 342 2HG2 ILE 45 HG22 ILE 45 8.156 4.787 2.841 343 3HG2 ILE 45 HG23 ILE 45 8.160 3.270 3.739 344 1HD1 ILE 45 HD11 ILE 45 7.002 4.259 -0.263 345 2HD1 ILE 45 HD12 ILE 45 8.399 3.252 0.120 346 3HD1 ILE 45 HD13 ILE 45 8.017 4.651 1.122 347 H THR 46 HN THR 46 4.803 0.804 2.160 348 HA THR 46 HA THR 46 2.425 1.816 1.014 349 HB THR 46 HB THR 46 3.309 -1.057 1.385 350 HG1 THR 46 HG1 THR 46 4.702 0.142 0.098 351 1HG2 THR 46 HG21 THR 46 1.756 -0.796 -0.936 352 2HG2 THR 46 HG22 THR 46 0.836 -0.047 0.371 353 3HG2 THR 46 HG23 THR 46 1.385 -1.716 0.525 354 H GLY 47 HN GLY 47 3.085 -0.050 3.925 355 1HA GLY 47 HA2 GLY 47 0.451 -0.794 4.540 356 2HA GLY 47 HA1 GLY 47 1.758 -0.618 5.704 357 H MET 48 HN MET 48 2.230 2.187 5.144 358 HA MET 48 HA MET 48 0.270 3.294 6.897 359 1HB MET 48 HB2 MET 48 2.700 4.284 5.508 360 2HB MET 48 HB1 MET 48 1.501 5.491 5.950 361 1HG MET 48 HG2 MET 48 1.606 4.746 8.274 362 2HG MET 48 HG1 MET 48 2.819 3.545 7.829 363 1HE MET 48 HE1 MET 48 4.962 4.939 5.972 364 2HE MET 48 HE2 MET 48 5.151 3.904 7.386 365 3HE MET 48 HE3 MET 48 6.014 5.438 7.295 366 H ILE 49 HN ILE 49 1.020 3.691 3.441 367 HA ILE 49 HA ILE 49 -1.248 5.373 2.944 368 HB ILE 49 HB ILE 49 0.369 3.823 0.920 369 1HG1 ILE 49 HG12 ILE 49 0.936 6.690 1.365 370 2HG1 ILE 49 HG11 ILE 49 1.451 5.609 2.655 371 1HG2 ILE 49 HG21 ILE 49 -0.309 5.817 -0.517 372 2HG2 ILE 49 HG22 ILE 49 -1.498 6.167 0.738 373 3HG2 ILE 49 HG23 ILE 49 -1.560 4.636 -0.136 374 1HD1 ILE 49 HD11 ILE 49 2.321 5.649 -0.208 375 2HD1 ILE 49 HD12 ILE 49 2.582 4.245 0.826 376 3HD1 ILE 49 HD13 ILE 49 3.300 5.799 1.250 377 H LEU 50 HN LEU 50 -1.154 2.282 3.827 378 HA LEU 50 HA LEU 50 -2.986 1.116 1.929 379 1HB LEU 50 HB2 LEU 50 -1.161 0.104 3.720 380 2HB LEU 50 HB1 LEU 50 -2.687 -0.217 4.521 381 HG LEU 50 HG LEU 50 -2.034 -2.145 3.235 382 1HD1 LEU 50 HD11 LEU 50 -4.324 -2.082 3.236 383 2HD1 LEU 50 HD12 LEU 50 -3.998 -2.077 1.503 384 3HD1 LEU 50 HD13 LEU 50 -4.392 -0.572 2.329 385 1HD2 LEU 50 HD21 LEU 50 -0.824 -1.872 1.394 386 2HD2 LEU 50 HD22 LEU 50 -1.230 -0.158 1.317 387 3HD2 LEU 50 HD23 LEU 50 -2.288 -1.351 0.564 388 H ASP 51 HN ASP 51 -3.614 3.542 3.778 389 HA ASP 51 HA ASP 51 -5.841 2.551 5.326 390 1HB ASP 51 HB2 ASP 51 -6.184 4.976 5.863 391 2HB ASP 51 HB1 ASP 51 -4.585 4.370 6.284 392 H LEU 52 HN LEU 52 -5.279 3.575 2.127 393 HA LEU 52 HA LEU 52 -7.960 4.558 1.666 394 1HB LEU 52 HB2 LEU 52 -5.547 4.118 -0.060 395 2HB LEU 52 HB1 LEU 52 -7.110 4.458 -0.775 396 HG LEU 52 HG LEU 52 -7.201 6.611 0.318 397 1HD1 LEU 52 HD11 LEU 52 -5.066 7.364 1.530 398 2HD1 LEU 52 HD12 LEU 52 -4.738 5.641 1.714 399 3HD1 LEU 52 HD13 LEU 52 -6.206 6.337 2.401 400 1HD2 LEU 52 HD21 LEU 52 -4.468 6.251 -0.891 401 2HD2 LEU 52 HD22 LEU 52 -5.431 7.727 -0.848 402 3HD2 LEU 52 HD23 LEU 52 -5.958 6.357 -1.827 403 HA PRO 53 HA PRO 53 -9.859 0.567 1.109 404 1HB PRO 53 HB2 PRO 53 -11.428 2.050 -0.942 405 2HB PRO 53 HB1 PRO 53 -11.990 1.020 0.377 406 1HG PRO 53 HG2 PRO 53 -12.140 3.698 0.513 407 2HG PRO 53 HG1 PRO 53 -11.829 2.700 1.943 408 1HD PRO 53 HD2 PRO 53 -9.984 4.451 0.425 409 2HD PRO 53 HD1 PRO 53 -9.931 3.956 2.126 410 HA PRO 54 HA PRO 54 -7.934 -1.509 -2.259 411 1HB PRO 54 HB2 PRO 54 -10.704 -2.367 -2.993 412 2HB PRO 54 HB1 PRO 54 -9.227 -3.328 -2.856 413 1HG PRO 54 HG2 PRO 54 -11.070 -3.352 -0.922 414 2HG PRO 54 HG1 PRO 54 -9.337 -3.417 -0.548 415 1HD PRO 54 HD2 PRO 54 -11.262 -1.190 -0.198 416 2HD PRO 54 HD1 PRO 54 -9.763 -1.540 0.684 417 H GLN 55 HN GLN 55 -11.151 -0.496 -3.407 418 HA GLN 55 HA GLN 55 -10.086 0.223 -5.976 419 1HB GLN 55 HB2 GLN 55 -12.844 0.797 -4.895 420 2HB GLN 55 HB1 GLN 55 -12.346 0.789 -6.582 421 1HG GLN 55 HG2 GLN 55 -11.837 -1.621 -6.374 422 2HG GLN 55 HG1 GLN 55 -12.474 -1.579 -4.731 423 1HE2 GLN 55 HE21 GLN 55 -13.592 -0.142 -7.783 424 2HE2 GLN 55 HE22 GLN 55 -15.165 -0.856 -7.737 425 H GLU 56 HN GLU 56 -11.256 1.983 -3.149 426 HA GLU 56 HA GLU 56 -11.217 4.554 -4.260 427 1HB GLU 56 HB2 GLU 56 -12.034 3.538 -1.910 428 2HB GLU 56 HB1 GLU 56 -10.537 4.300 -1.396 429 1HG GLU 56 HG2 GLU 56 -12.824 5.648 -2.811 430 2HG GLU 56 HG1 GLU 56 -12.427 5.789 -1.099 431 H VAL 57 HN VAL 57 -8.580 2.536 -3.509 432 HA VAL 57 HA VAL 57 -6.760 4.759 -3.037 433 HB VAL 57 HB VAL 57 -6.441 2.580 -1.849 434 1HG1 VAL 57 HG11 VAL 57 -5.921 1.629 -4.640 435 2HG1 VAL 57 HG12 VAL 57 -6.892 0.894 -3.368 436 3HG1 VAL 57 HG13 VAL 57 -5.136 0.859 -3.263 437 1HG2 VAL 57 HG21 VAL 57 -3.899 2.473 -2.672 438 2HG2 VAL 57 HG22 VAL 57 -4.529 3.781 -1.671 439 3HG2 VAL 57 HG23 VAL 57 -4.376 4.001 -3.413 440 H PHE 58 HN PHE 58 -7.879 2.763 -5.599 441 HA PHE 58 HA PHE 58 -5.967 2.667 -7.477 442 1HB PHE 58 HB2 PHE 58 -8.874 3.362 -7.831 443 2HB PHE 58 HB1 PHE 58 -7.799 3.072 -9.189 444 HD1 PHE 58 HD1 PHE 58 -9.447 1.328 -9.824 445 HD2 PHE 58 HD2 PHE 58 -7.131 1.070 -6.262 446 HE1 PHE 58 HE1 PHE 58 -9.920 -1.080 -9.697 447 HE2 PHE 58 HE2 PHE 58 -7.607 -1.340 -6.127 448 HZ PHE 58 HZ PHE 58 -9.002 -2.417 -7.847 449 HA PRO 59 HA PRO 59 -6.825 7.212 -9.025 450 1HB PRO 59 HB2 PRO 59 -7.723 8.907 -7.052 451 2HB PRO 59 HB1 PRO 59 -8.751 8.157 -8.276 452 1HG PRO 59 HG2 PRO 59 -8.262 7.333 -5.445 453 2HG PRO 59 HG1 PRO 59 -9.778 7.339 -6.365 454 1HD PRO 59 HD2 PRO 59 -8.406 5.078 -5.928 455 2HD PRO 59 HD1 PRO 59 -9.270 5.355 -7.453 456 H LEU 60 HN LEU 60 -5.986 6.834 -5.582 457 HA LEU 60 HA LEU 60 -4.068 8.911 -5.522 458 1HB LEU 60 HB2 LEU 60 -4.890 8.188 -3.437 459 2HB LEU 60 HB1 LEU 60 -4.567 6.504 -3.797 460 HG LEU 60 HG LEU 60 -2.059 7.775 -3.861 461 1HD1 LEU 60 HD11 LEU 60 -3.872 9.114 -2.037 462 2HD1 LEU 60 HD12 LEU 60 -2.262 9.573 -2.591 463 3HD1 LEU 60 HD13 LEU 60 -2.443 8.460 -1.237 464 1HD2 LEU 60 HD21 LEU 60 -3.312 5.572 -2.646 465 2HD2 LEU 60 HD22 LEU 60 -2.536 6.483 -1.353 466 3HD2 LEU 60 HD23 LEU 60 -1.588 5.926 -2.731 467 H LEU 61 HN LEU 61 -3.621 5.384 -5.689 468 HA LEU 61 HA LEU 61 -0.849 5.487 -6.071 469 1HB LEU 61 HB2 LEU 61 -1.184 3.126 -7.018 470 2HB LEU 61 HB1 LEU 61 -1.560 3.430 -5.340 471 HG LEU 61 HG LEU 61 -4.002 3.770 -6.299 472 1HD1 LEU 61 HD11 LEU 61 -2.584 2.215 -8.402 473 2HD1 LEU 61 HD12 LEU 61 -3.691 3.563 -8.589 474 3HD1 LEU 61 HD13 LEU 61 -4.294 1.983 -8.100 475 1HD2 LEU 61 HD21 LEU 61 -3.657 2.143 -4.661 476 2HD2 LEU 61 HD22 LEU 61 -2.571 1.211 -5.692 477 3HD2 LEU 61 HD23 LEU 61 -4.301 1.245 -6.035 478 H GLU 62 HN GLU 62 -3.205 6.469 -8.249 479 HA GLU 62 HA GLU 62 -1.534 5.781 -10.563 480 1HB GLU 62 HB2 GLU 62 -4.420 6.184 -10.161 481 2HB GLU 62 HB1 GLU 62 -3.778 6.954 -11.607 482 1HG GLU 62 HG2 GLU 62 -2.654 4.582 -11.926 483 2HG GLU 62 HG1 GLU 62 -4.021 4.082 -10.932 484 H SER 63 HN SER 63 -2.429 8.387 -8.522 485 HA SER 63 HA SER 63 -1.515 10.351 -10.503 486 1HB SER 63 HB2 SER 63 -3.739 10.575 -9.158 487 2HB SER 63 HB1 SER 63 -2.688 11.090 -7.841 488 HG SER 63 HG SER 63 -1.805 12.558 -9.623 489 H ASP 64 HN ASP 64 0.470 11.144 -10.366 490 HA ASP 64 HA ASP 64 2.339 10.344 -8.445 491 1HB ASP 64 HB2 ASP 64 2.471 11.600 -10.867 492 2HB ASP 64 HB1 ASP 64 2.895 12.915 -9.776 493 H GLU 65 HN GLU 65 0.764 13.508 -8.853 494 HA GLU 65 HA GLU 65 1.876 14.782 -6.645 495 1HB GLU 65 HB2 GLU 65 -0.795 15.169 -7.992 496 2HB GLU 65 HB1 GLU 65 -0.182 16.240 -6.739 497 1HG GLU 65 HG2 GLU 65 1.201 17.284 -8.140 498 2HG GLU 65 HG1 GLU 65 1.714 15.781 -8.905 499 H LEU 66 HN LEU 66 -1.267 13.113 -6.855 500 HA LEU 66 HA LEU 66 -2.019 13.442 -4.185 501 1HB LEU 66 HB2 LEU 66 -3.110 12.285 -6.436 502 2HB LEU 66 HB1 LEU 66 -2.857 10.906 -5.384 503 HG LEU 66 HG LEU 66 -5.129 11.898 -5.227 504 1HD1 LEU 66 HD11 LEU 66 -3.707 10.755 -3.319 505 2HD1 LEU 66 HD12 LEU 66 -5.314 11.417 -3.010 506 3HD1 LEU 66 HD13 LEU 66 -3.877 12.344 -2.572 507 1HD2 LEU 66 HD21 LEU 66 -4.702 14.080 -3.544 508 2HD2 LEU 66 HD22 LEU 66 -5.311 14.112 -5.198 509 3HD2 LEU 66 HD23 LEU 66 -3.587 14.312 -4.892 510 H PHE 67 HN PHE 67 0.154 11.177 -5.690 511 HA PHE 67 HA PHE 67 0.256 9.374 -3.461 512 1HB PHE 67 HB2 PHE 67 0.876 9.009 -6.012 513 2HB PHE 67 HB1 PHE 67 2.473 9.498 -5.454 514 HD1 PHE 67 HD1 PHE 67 3.746 8.086 -3.946 515 HD2 PHE 67 HD2 PHE 67 -0.135 6.972 -5.272 516 HE1 PHE 67 HE1 PHE 67 4.128 5.796 -3.130 517 HE2 PHE 67 HE2 PHE 67 0.239 4.681 -4.466 518 HZ PHE 67 HZ PHE 67 2.371 4.090 -3.386 519 H GLU 68 HN GLU 68 2.503 11.769 -4.804 520 HA GLU 68 HA GLU 68 4.624 11.604 -3.153 521 1HB GLU 68 HB2 GLU 68 3.265 14.093 -4.175 522 2HB GLU 68 HB1 GLU 68 4.839 14.105 -3.393 523 1HG GLU 68 HG2 GLU 68 5.846 12.915 -5.132 524 2HG GLU 68 HG1 GLU 68 4.295 12.383 -5.782 525 H GLN 69 HN GLN 69 1.643 13.396 -2.360 526 HA GLN 69 HA GLN 69 2.469 14.371 0.131 527 1HB GLN 69 HB2 GLN 69 -0.312 13.656 -0.809 528 2HB GLN 69 HB1 GLN 69 0.051 14.612 0.620 529 1HG GLN 69 HG2 GLN 69 0.797 15.363 -2.197 530 2HG GLN 69 HG1 GLN 69 -0.600 15.977 -1.315 531 1HE2 GLN 69 HE21 GLN 69 2.282 16.870 -2.320 532 2HE2 GLN 69 HE22 GLN 69 2.769 17.933 -1.048 533 H HIS 70 HN HIS 70 0.364 11.569 -0.502 534 HA HIS 70 HA HIS 70 0.379 10.653 2.166 535 1HB HIS 70 HB2 HIS 70 -0.507 9.583 -0.440 536 2HB HIS 70 HB1 HIS 70 -0.101 8.364 0.766 537 HD2 HIS 70 HD2 HIS 70 -3.021 10.567 -0.194 538 HE1 HIS 70 HE1 HIS 70 -3.744 9.333 3.803 539 HE2 HIS 70 HE2 HIS 70 -4.736 10.378 1.736 540 H TYR 71 HN TYR 71 2.187 9.526 -0.673 541 HA TYR 71 HA TYR 71 3.778 7.652 0.679 542 1HB TYR 71 HB2 TYR 71 3.776 7.340 -1.606 543 2HB TYR 71 HB1 TYR 71 3.891 9.057 -1.954 544 HD1 TYR 71 HD1 TYR 71 5.900 9.940 -2.668 545 HD2 TYR 71 HD2 TYR 71 5.915 6.234 -0.578 546 HE1 TYR 71 HE1 TYR 71 8.303 9.704 -3.122 547 HE2 TYR 71 HE2 TYR 71 8.321 5.987 -1.025 548 HH TYR 71 HH TYR 71 10.275 7.598 -1.526 549 H LYS 72 HN LYS 72 3.827 11.053 0.795 550 HA LYS 72 HA LYS 72 6.599 11.511 1.162 551 1HB LYS 72 HB2 LYS 72 4.239 13.077 1.108 552 2HB LYS 72 HB1 LYS 72 5.037 13.415 2.634 553 1HG LYS 72 HG2 LYS 72 6.234 13.672 -0.113 554 2HG LYS 72 HG1 LYS 72 5.761 14.985 0.965 555 1HD LYS 72 HD2 LYS 72 7.490 14.494 2.490 556 2HD LYS 72 HD1 LYS 72 7.798 12.920 1.756 557 1HE LYS 72 HE2 LYS 72 8.859 13.855 -0.097 558 2HE LYS 72 HE1 LYS 72 8.149 15.444 0.183 559 1HZ LYS 72 HZ1 LYS 72 10.175 15.865 1.030 560 2HZ LYS 72 HZ2 LYS 72 10.515 14.242 1.359 561 3HZ LYS 72 HZ3 LYS 72 9.548 15.133 2.421 562 H GLU 73 HN GLU 73 3.984 11.589 3.597 563 HA GLU 73 HA GLU 73 5.574 11.677 5.851 564 1HB GLU 73 HB2 GLU 73 2.860 11.431 5.347 565 2HB GLU 73 HB1 GLU 73 3.241 9.954 6.220 566 1HG GLU 73 HG2 GLU 73 4.130 11.223 8.066 567 2HG GLU 73 HG1 GLU 73 3.899 12.730 7.180 568 H ALA 74 HN ALA 74 4.660 8.909 3.887 569 HA ALA 74 HA ALA 74 5.701 6.938 5.664 570 1HB ALA 74 HB1 ALA 74 5.085 5.388 4.073 571 2HB ALA 74 HB2 ALA 74 5.440 6.470 2.728 572 3HB ALA 74 HB3 ALA 74 3.990 6.718 3.699 573 H SER 75 HN SER 75 6.973 8.785 2.962 574 HA SER 75 HA SER 75 9.318 7.376 2.447 575 1HB SER 75 HB2 SER 75 8.845 9.107 0.934 576 2HB SER 75 HB1 SER 75 8.631 10.298 2.216 577 HG SER 75 HG SER 75 11.087 9.056 1.520 578 H ALA 76 HN ALA 76 8.820 10.075 4.717 579 HA ALA 76 HA ALA 76 11.329 10.268 5.825 580 1HB ALA 76 HB1 ALA 76 8.671 10.477 7.239 581 2HB ALA 76 HB2 ALA 76 9.547 11.783 6.442 582 3HB ALA 76 HB3 ALA 76 10.208 11.038 7.898 583 H ALA 77 HN ALA 77 8.772 7.979 6.625 584 HA ALA 77 HA ALA 77 10.283 6.630 8.670 585 1HB ALA 77 HB1 ALA 77 7.687 6.775 8.305 586 2HB ALA 77 HB2 ALA 77 8.418 5.334 9.014 587 3HB ALA 77 HB3 ALA 77 7.965 5.345 7.311 588 H TYR 78 HN TYR 78 9.884 6.411 5.267 589 HA TYR 78 HA TYR 78 10.590 3.814 4.650 590 1HB TYR 78 HB2 TYR 78 9.974 5.765 3.089 591 2HB TYR 78 HB1 TYR 78 11.674 6.205 3.164 592 HD1 TYR 78 HD1 TYR 78 9.788 5.261 0.804 593 HD2 TYR 78 HD2 TYR 78 12.812 3.379 3.126 594 HE1 TYR 78 HE1 TYR 78 10.253 3.728 -1.064 595 HE2 TYR 78 HE2 TYR 78 13.286 1.843 1.287 596 HH TYR 78 HH TYR 78 11.680 0.974 -0.854 597 H GLU 79 HN GLU 79 12.757 6.608 4.991 598 HA GLU 79 HA GLU 79 15.173 5.216 4.783 599 1HB GLU 79 HB2 GLU 79 14.346 7.880 5.796 600 2HB GLU 79 HB1 GLU 79 15.955 7.309 6.223 601 1HG GLU 79 HG2 GLU 79 16.719 7.883 4.233 602 2HG GLU 79 HG1 GLU 79 15.532 6.845 3.447 603 H SER 80 HN SER 80 13.204 5.980 7.602 604 HA SER 80 HA SER 80 14.992 5.268 9.597 605 1HB SER 80 HB2 SER 80 11.978 5.033 9.569 606 2HB SER 80 HB1 SER 80 12.977 4.905 11.016 607 HG SER 80 HG SER 80 13.130 6.995 11.063 608 H PHE 81 HN PHE 81 12.521 3.248 8.013 609 HA PHE 81 HA PHE 81 13.212 0.897 9.427 610 1HB PHE 81 HB2 PHE 81 11.573 1.450 6.980 611 2HB PHE 81 HB1 PHE 81 11.917 -0.205 7.472 612 HD1 PHE 81 HD1 PHE 81 11.176 -0.988 9.723 613 HD2 PHE 81 HD2 PHE 81 9.934 2.731 8.069 614 HE1 PHE 81 HE1 PHE 81 9.307 -0.907 11.321 615 HE2 PHE 81 HE2 PHE 81 8.062 2.818 9.665 616 HZ PHE 81 HZ PHE 81 7.748 0.998 11.295 617 H LYS 82 HN LYS 82 13.888 1.881 6.059 618 HA LYS 82 HA LYS 82 15.381 -0.347 5.329 619 1HB LYS 82 HB2 LYS 82 16.365 1.057 3.580 620 2HB LYS 82 HB1 LYS 82 14.631 1.318 3.711 621 1HG LYS 82 HG2 LYS 82 14.890 3.416 4.647 622 2HG LYS 82 HG1 LYS 82 16.554 3.106 5.133 623 1HD LYS 82 HD2 LYS 82 15.752 3.163 2.242 624 2HD LYS 82 HD1 LYS 82 16.148 4.645 3.114 625 1HE LYS 82 HE2 LYS 82 18.335 4.231 3.004 626 2HE LYS 82 HE1 LYS 82 18.122 2.569 3.549 627 1HZ LYS 82 HZ1 LYS 82 18.138 3.633 0.807 628 2HZ LYS 82 HZ2 LYS 82 17.293 2.207 1.143 629 3HZ LYS 82 HZ3 LYS 82 18.955 2.292 1.440 630 H LYS 83 HN LYS 83 16.303 2.496 7.153 631 HA LYS 83 HA LYS 83 19.115 1.793 7.159 632 1HB LYS 83 HB2 LYS 83 17.580 3.973 8.581 633 2HB LYS 83 HB1 LYS 83 19.325 3.772 8.670 634 1HG LYS 83 HG2 LYS 83 19.592 4.278 6.373 635 2HG LYS 83 HG1 LYS 83 17.855 4.169 6.079 636 1HD LYS 83 HD2 LYS 83 17.719 6.361 6.432 637 2HD LYS 83 HD1 LYS 83 18.161 6.070 8.115 638 1HE LYS 83 HE2 LYS 83 20.552 6.207 7.446 639 2HE LYS 83 HE1 LYS 83 20.030 6.646 5.820 640 1HZ LYS 83 HZ1 LYS 83 18.833 8.553 6.865 641 2HZ LYS 83 HZ2 LYS 83 20.519 8.639 6.971 642 3HZ LYS 83 HZ3 LYS 83 19.611 8.180 8.322 643 H GLU 84 HN GLU 84 16.425 0.772 8.853 644 HA GLU 84 HA GLU 84 17.359 0.602 11.496 645 1HB GLU 84 HB2 GLU 84 14.992 0.241 10.673 646 2HB GLU 84 HB1 GLU 84 15.499 -1.361 10.154 647 1HG GLU 84 HG2 GLU 84 15.021 -2.109 12.175 648 2HG GLU 84 HG1 GLU 84 16.343 -1.129 12.808 649 H GLN 85 HN GLN 85 17.540 -1.704 8.802 650 HA GLN 85 HA GLN 85 18.990 -3.647 10.340 651 1HB GLN 85 HB2 GLN 85 17.991 -3.413 7.563 652 2HB GLN 85 HB1 GLN 85 19.399 -4.441 7.794 653 1HG GLN 85 HG2 GLN 85 18.117 -5.649 9.567 654 2HG GLN 85 HG1 GLN 85 16.699 -4.719 9.083 655 1HE2 GLN 85 HE21 GLN 85 18.272 -7.571 8.678 656 2HE2 GLN 85 HE22 GLN 85 17.622 -8.048 7.151 657 H GLU 86 HN GLU 86 20.966 -3.098 11.024 658 HA GLU 86 HA GLU 86 22.751 -1.580 9.300 659 1HB GLU 86 HB2 GLU 86 24.283 -1.731 11.336 660 2HB GLU 86 HB1 GLU 86 22.800 -0.808 11.526 661 1HG GLU 86 HG2 GLU 86 21.889 -2.297 12.977 662 2HG GLU 86 HG1 GLU 86 22.729 -3.675 12.267 663 H GLN 87 HN GLN 87 22.162 -4.826 10.216 664 HA GLN 87 HA GLN 87 24.829 -5.742 9.527 665 1HB GLN 87 HB2 GLN 87 22.867 -6.704 11.212 666 2HB GLN 87 HB1 GLN 87 22.759 -7.789 9.832 667 1HG GLN 87 HG2 GLN 87 25.317 -7.989 10.076 668 2HG GLN 87 HG1 GLN 87 25.056 -7.320 11.686 669 1HE2 GLN 87 HE21 GLN 87 24.641 -10.053 9.615 670 2HE2 GLN 87 HE22 GLN 87 24.102 -11.158 10.828 671 H GLN 88 HN GLN 88 21.540 -6.555 8.406 672 HA GLN 88 HA GLN 88 22.656 -7.415 5.847 673 1HB GLN 88 HB2 GLN 88 20.594 -8.384 7.444 674 2HB GLN 88 HB1 GLN 88 19.764 -7.613 6.101 675 1HG GLN 88 HG2 GLN 88 20.028 -9.750 5.321 676 2HG GLN 88 HG1 GLN 88 21.441 -8.947 4.638 677 1HE2 GLN 88 HE21 GLN 88 22.274 -11.133 4.480 678 2HE2 GLN 88 HE22 GLN 88 23.046 -11.841 5.853 679 H THR 89 HN THR 89 22.832 -5.964 4.279 680 HA THR 89 HA THR 89 20.967 -3.700 4.214 681 HB THR 89 HB THR 89 22.573 -2.570 2.822 682 HG1 THR 89 HG1 THR 89 24.201 -4.881 2.876 683 1HG2 THR 89 HG21 THR 89 24.554 -3.787 4.604 684 2HG2 THR 89 HG22 THR 89 23.106 -3.168 5.399 685 3HG2 THR 89 HG23 THR 89 24.087 -2.098 4.399 686 H GLU 90 HN GLU 90 19.179 -4.664 3.269 687 HA GLU 90 HA GLU 90 19.488 -6.033 0.722 688 1HB GLU 90 HB2 GLU 90 17.783 -6.452 2.784 689 2HB GLU 90 HB1 GLU 90 16.775 -5.454 1.744 690 1HG GLU 90 HG2 GLU 90 18.215 -7.845 0.668 691 2HG GLU 90 HG1 GLU 90 16.664 -8.002 1.491 692 H GLN 91 HN GLN 91 20.017 -3.117 1.019 693 HA GLN 91 HA GLN 91 17.896 -1.959 -0.623 694 1HB GLN 91 HB2 GLN 91 19.058 0.192 -0.208 695 2HB GLN 91 HB1 GLN 91 18.568 -0.618 1.273 696 1HG GLN 91 HG2 GLN 91 20.941 -1.527 1.374 697 2HG GLN 91 HG1 GLN 91 21.323 -0.350 0.120 698 1HE2 GLN 91 HE21 GLN 91 22.736 -0.029 2.264 699 2HE2 GLN 91 HE22 GLN 91 22.175 1.273 3.252 700 H ALA 92 HN ALA 92 21.364 -2.625 -0.665 701 HA ALA 92 HA ALA 92 21.520 -1.760 -3.458 702 1HB ALA 92 HB1 ALA 92 24.050 -2.522 -2.818 703 2HB ALA 92 HB2 ALA 92 23.435 -2.008 -1.247 704 3HB ALA 92 HB3 ALA 92 23.413 -0.890 -2.611 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -27.009 -21.683 5.431 2 2H GLY 1 HT2 GLY 1 -27.967 -20.525 6.208 3 3H GLY 1 HT3 GLY 1 -26.984 -21.558 7.119 4 1HA GLY 1 HA1 GLY 1 -26.165 -19.319 5.367 5 2HA GLY 1 HA2 GLY 1 -25.852 -19.518 7.085 6 HA PRO 2 HA PRO 2 -21.893 -21.233 6.229 7 1HB PRO 2 HB2 PRO 2 -21.740 -23.285 8.043 8 2HB PRO 2 HB1 PRO 2 -21.510 -21.583 8.455 9 1HG PRO 2 HG2 PRO 2 -23.943 -23.296 8.766 10 2HG PRO 2 HG1 PRO 2 -23.265 -22.098 9.885 11 1HD PRO 2 HD2 PRO 2 -25.387 -21.542 8.331 12 2HD PRO 2 HD1 PRO 2 -24.165 -20.313 8.718 13 H LEU 3 HN LEU 3 -24.508 -23.601 6.553 14 HA LEU 3 HA LEU 3 -23.090 -25.492 4.850 15 1HB LEU 3 HB2 LEU 3 -25.572 -25.595 6.514 16 2HB LEU 3 HB1 LEU 3 -25.344 -26.774 5.235 17 HG LEU 3 HG LEU 3 -22.974 -27.021 6.480 18 1HD1 LEU 3 HD11 LEU 3 -24.935 -26.208 8.618 19 2HD1 LEU 3 HD12 LEU 3 -23.430 -25.394 8.194 20 3HD1 LEU 3 HD13 LEU 3 -23.389 -27.003 8.916 21 1HD2 LEU 3 HD21 LEU 3 -24.128 -28.889 7.803 22 2HD2 LEU 3 HD22 LEU 3 -24.245 -28.932 6.044 23 3HD2 LEU 3 HD23 LEU 3 -25.607 -28.357 7.005 24 H GLY 4 HN GLY 4 -23.096 -24.669 2.796 25 1HA GLY 4 HA2 GLY 4 -25.502 -23.584 1.623 26 2HA GLY 4 HA1 GLY 4 -23.958 -23.820 0.814 27 H SER 5 HN SER 5 -25.442 -24.530 -0.948 28 HA SER 5 HA SER 5 -26.824 -27.020 -0.642 29 1HB SER 5 HB2 SER 5 -27.326 -25.111 -2.318 30 2HB SER 5 HB1 SER 5 -26.042 -25.827 -3.293 31 HG SER 5 HG SER 5 -28.432 -27.078 -2.414 32 HA PRO 6 HA PRO 6 -23.385 -29.720 -1.333 33 1HB PRO 6 HB2 PRO 6 -24.703 -31.956 -2.098 34 2HB PRO 6 HB1 PRO 6 -24.694 -31.374 -0.429 35 1HG PRO 6 HG2 PRO 6 -26.794 -31.049 -2.538 36 2HG PRO 6 HG1 PRO 6 -26.984 -31.447 -0.820 37 1HD PRO 6 HD2 PRO 6 -27.381 -28.948 -1.807 38 2HD PRO 6 HD1 PRO 6 -26.789 -29.252 -0.161 39 H ARG 7 HN ARG 7 -25.061 -28.310 -3.785 40 HA ARG 7 HA ARG 7 -23.984 -29.978 -5.919 41 1HB ARG 7 HB2 ARG 7 -26.298 -28.442 -5.666 42 2HB ARG 7 HB1 ARG 7 -25.289 -27.528 -6.778 43 1HG ARG 7 HG2 ARG 7 -24.991 -29.818 -7.971 44 2HG ARG 7 HG1 ARG 7 -26.454 -30.255 -7.086 45 1HD ARG 7 HD2 ARG 7 -26.092 -28.026 -9.077 46 2HD ARG 7 HD1 ARG 7 -27.131 -29.444 -9.216 47 HE ARG 7 HE ARG 7 -27.697 -27.643 -7.008 48 1HH1 ARG 7 HH11 ARG 7 -28.478 -28.629 -10.267 49 2HH1 ARG 7 HH12 ARG 7 -30.055 -27.914 -10.235 50 1HH2 ARG 7 HH21 ARG 7 -29.766 -26.703 -6.970 51 2HH2 ARG 7 HH22 ARG 7 -30.785 -26.820 -8.366 52 H ASN 8 HN ASN 8 -23.244 -28.451 -7.884 53 HA ASN 8 HA ASN 8 -20.912 -27.039 -6.853 54 1HB ASN 8 HB2 ASN 8 -20.845 -28.803 -8.723 55 2HB ASN 8 HB1 ASN 8 -21.526 -27.550 -9.758 56 1HD2 ASN 8 HD21 ASN 8 -18.952 -27.833 -7.325 57 2HD2 ASN 8 HD22 ASN 8 -17.755 -26.999 -8.251 58 H ALA 9 HN ALA 9 -20.248 -24.994 -7.919 59 HA ALA 9 HA ALA 9 -22.283 -23.052 -7.714 60 1HB ALA 9 HB1 ALA 9 -20.430 -21.608 -8.880 61 2HB ALA 9 HB2 ALA 9 -19.426 -23.022 -8.563 62 3HB ALA 9 HB3 ALA 9 -20.214 -22.184 -7.227 63 H ASN 10 HN ASN 10 -23.792 -22.499 -9.133 64 HA ASN 10 HA ASN 10 -23.439 -23.263 -11.943 65 1HB ASN 10 HB2 ASN 10 -25.611 -23.489 -10.166 66 2HB ASN 10 HB1 ASN 10 -26.073 -22.250 -11.329 67 1HD2 ASN 10 HD21 ASN 10 -25.599 -22.855 -13.651 68 2HD2 ASN 10 HD22 ASN 10 -25.994 -24.471 -14.119 69 H ASP 11 HN ASP 11 -24.317 -20.513 -9.894 70 HA ASP 11 HA ASP 11 -24.738 -18.685 -12.016 71 1HB ASP 11 HB2 ASP 11 -24.459 -16.946 -10.212 72 2HB ASP 11 HB1 ASP 11 -25.679 -18.171 -9.878 73 H ASN 12 HN ASN 12 -23.400 -16.765 -12.450 74 HA ASN 12 HA ASN 12 -20.604 -17.546 -12.716 75 1HB ASN 12 HB2 ASN 12 -21.971 -15.108 -13.866 76 2HB ASN 12 HB1 ASN 12 -20.426 -15.796 -14.357 77 1HD2 ASN 12 HD21 ASN 12 -20.420 -17.805 -15.461 78 2HD2 ASN 12 HD22 ASN 12 -21.809 -18.330 -16.343 79 H ASN 13 HN ASN 13 -19.130 -16.872 -11.313 80 HA ASN 13 HA ASN 13 -19.745 -14.782 -9.418 81 1HB ASN 13 HB2 ASN 13 -18.217 -17.046 -9.276 82 2HB ASN 13 HB1 ASN 13 -16.985 -15.807 -9.491 83 1HD2 ASN 13 HD21 ASN 13 -16.250 -14.922 -7.708 84 2HD2 ASN 13 HD22 ASN 13 -17.082 -14.824 -6.199 85 H GLN 14 HN GLN 14 -18.742 -12.796 -9.229 86 HA GLN 14 HA GLN 14 -17.582 -11.779 -11.692 87 1HB GLN 14 HB2 GLN 14 -19.274 -10.711 -9.732 88 2HB GLN 14 HB1 GLN 14 -17.759 -9.837 -9.551 89 1HG GLN 14 HG2 GLN 14 -19.113 -8.610 -11.054 90 2HG GLN 14 HG1 GLN 14 -17.832 -9.366 -12.001 91 1HE2 GLN 14 HE21 GLN 14 -18.339 -11.050 -13.402 92 2HE2 GLN 14 HE22 GLN 14 -19.961 -11.371 -13.903 93 H PHE 15 HN PHE 15 -15.566 -12.919 -11.513 94 HA PHE 15 HA PHE 15 -13.779 -12.389 -9.331 95 1HB PHE 15 HB2 PHE 15 -13.518 -13.774 -11.985 96 2HB PHE 15 HB1 PHE 15 -12.094 -13.439 -11.007 97 HD1 PHE 15 HD1 PHE 15 -11.727 -14.585 -8.908 98 HD2 PHE 15 HD2 PHE 15 -15.155 -15.404 -11.292 99 HE1 PHE 15 HE1 PHE 15 -12.132 -16.637 -7.613 100 HE2 PHE 15 HE2 PHE 15 -15.568 -17.456 -9.999 101 HZ PHE 15 HZ PHE 15 -14.056 -18.073 -8.157 102 H TYR 16 HN TYR 16 -14.778 -10.528 -11.907 103 HA TYR 16 HA TYR 16 -12.367 -9.342 -12.763 104 1HB TYR 16 HB2 TYR 16 -14.504 -9.181 -14.004 105 2HB TYR 16 HB1 TYR 16 -15.144 -8.142 -12.734 106 HD1 TYR 16 HD1 TYR 16 -12.363 -8.365 -15.203 107 HD2 TYR 16 HD2 TYR 16 -14.872 -5.832 -12.881 108 HE1 TYR 16 HE1 TYR 16 -11.441 -6.401 -16.360 109 HE2 TYR 16 HE2 TYR 16 -13.959 -3.861 -14.032 110 HH TYR 16 HH TYR 16 -11.549 -4.187 -16.623 111 H GLN 17 HN GLN 17 -14.472 -8.741 -10.036 112 HA GLN 17 HA GLN 17 -13.370 -6.198 -9.361 113 1HB GLN 17 HB2 GLN 17 -15.235 -8.133 -8.096 114 2HB GLN 17 HB1 GLN 17 -14.430 -6.987 -7.032 115 1HG GLN 17 HG2 GLN 17 -15.454 -5.634 -9.344 116 2HG GLN 17 HG1 GLN 17 -16.728 -6.579 -8.574 117 1HE2 GLN 17 HE21 GLN 17 -15.647 -3.610 -8.722 118 2HE2 GLN 17 HE22 GLN 17 -15.904 -3.063 -7.103 119 H GLN 18 HN GLN 18 -12.915 -9.478 -8.060 120 HA GLN 18 HA GLN 18 -11.080 -8.873 -6.065 121 1HB GLN 18 HB2 GLN 18 -11.773 -11.294 -7.627 122 2HB GLN 18 HB1 GLN 18 -10.221 -11.316 -6.802 123 1HG GLN 18 HG2 GLN 18 -11.179 -11.698 -4.845 124 2HG GLN 18 HG1 GLN 18 -12.290 -10.345 -5.054 125 1HE2 GLN 18 HE21 GLN 18 -11.786 -13.585 -6.421 126 2HE2 GLN 18 HE22 GLN 18 -13.448 -14.055 -6.360 127 H LYS 19 HN LYS 19 -10.397 -9.941 -9.398 128 HA LYS 19 HA LYS 19 -7.608 -9.652 -9.173 129 1HB LYS 19 HB2 LYS 19 -9.524 -10.035 -11.410 130 2HB LYS 19 HB1 LYS 19 -7.912 -9.456 -11.814 131 1HG LYS 19 HG2 LYS 19 -7.457 -11.552 -10.060 132 2HG LYS 19 HG1 LYS 19 -8.796 -12.107 -11.065 133 1HD LYS 19 HD2 LYS 19 -6.635 -10.792 -12.548 134 2HD LYS 19 HD1 LYS 19 -6.155 -12.281 -11.731 135 1HE LYS 19 HE2 LYS 19 -7.744 -13.559 -12.897 136 2HE LYS 19 HE1 LYS 19 -8.628 -12.129 -13.425 137 1HZ LYS 19 HZ1 LYS 19 -7.090 -11.664 -15.045 138 2HZ LYS 19 HZ2 LYS 19 -7.066 -13.355 -15.063 139 3HZ LYS 19 HZ3 LYS 19 -5.838 -12.501 -14.273 140 H GLN 20 HN GLN 20 -10.129 -7.378 -9.832 141 HA GLN 20 HA GLN 20 -8.460 -5.357 -10.992 142 1HB GLN 20 HB2 GLN 20 -11.269 -5.639 -10.243 143 2HB GLN 20 HB1 GLN 20 -10.639 -4.041 -9.883 144 1HG GLN 20 HG2 GLN 20 -9.782 -4.820 -12.491 145 2HG GLN 20 HG1 GLN 20 -11.525 -5.044 -12.353 146 1HE2 GLN 20 HE21 GLN 20 -8.976 -2.689 -11.630 147 2HE2 GLN 20 HE22 GLN 20 -9.922 -1.292 -12.003 148 H ARG 21 HN ARG 21 -10.043 -5.684 -7.838 149 HA ARG 21 HA ARG 21 -9.093 -3.509 -6.511 150 1HB ARG 21 HB2 ARG 21 -9.664 -6.301 -5.596 151 2HB ARG 21 HB1 ARG 21 -9.128 -5.072 -4.458 152 1HG ARG 21 HG2 ARG 21 -11.082 -3.920 -4.561 153 2HG ARG 21 HG1 ARG 21 -11.381 -4.363 -6.240 154 1HD ARG 21 HD2 ARG 21 -12.979 -5.637 -5.265 155 2HD ARG 21 HD1 ARG 21 -11.637 -6.771 -5.146 156 HE ARG 21 HE ARG 21 -11.334 -5.860 -2.831 157 1HH1 ARG 21 HH11 ARG 21 -14.465 -5.786 -4.394 158 2HH1 ARG 21 HH12 ARG 21 -15.338 -5.776 -2.901 159 1HH2 ARG 21 HH21 ARG 21 -12.492 -5.846 -0.880 160 2HH2 ARG 21 HH22 ARG 21 -14.223 -5.810 -0.911 161 H GLN 22 HN GLN 22 -7.477 -6.693 -6.486 162 HA GLN 22 HA GLN 22 -5.146 -5.673 -5.213 163 1HB GLN 22 HB2 GLN 22 -6.094 -8.254 -6.195 164 2HB GLN 22 HB1 GLN 22 -4.367 -8.029 -6.436 165 1HG GLN 22 HG2 GLN 22 -4.089 -8.678 -4.339 166 2HG GLN 22 HG1 GLN 22 -4.811 -7.148 -3.847 167 1HE2 GLN 22 HE21 GLN 22 -5.479 -8.340 -1.953 168 2HE2 GLN 22 HE22 GLN 22 -6.919 -9.292 -2.011 169 H ALA 23 HN ALA 23 -6.247 -5.512 -8.419 170 HA ALA 23 HA ALA 23 -3.740 -5.621 -9.775 171 1HB ALA 23 HB1 ALA 23 -6.185 -5.757 -10.713 172 2HB ALA 23 HB2 ALA 23 -4.879 -5.103 -11.693 173 3HB ALA 23 HB3 ALA 23 -5.997 -4.016 -10.871 174 H LEU 24 HN LEU 24 -5.853 -2.772 -9.427 175 HA LEU 24 HA LEU 24 -3.768 -0.938 -9.872 176 1HB LEU 24 HB2 LEU 24 -6.586 -0.825 -9.008 177 2HB LEU 24 HB1 LEU 24 -5.604 0.549 -8.554 178 HG LEU 24 HG LEU 24 -6.758 1.005 -10.629 179 1HD1 LEU 24 HD11 LEU 24 -3.828 0.823 -10.529 180 2HD1 LEU 24 HD12 LEU 24 -4.874 2.192 -10.906 181 3HD1 LEU 24 HD13 LEU 24 -4.519 0.987 -12.145 182 1HD2 LEU 24 HD21 LEU 24 -5.962 -0.424 -12.654 183 2HD2 LEU 24 HD22 LEU 24 -7.260 -1.015 -11.617 184 3HD2 LEU 24 HD23 LEU 24 -5.623 -1.639 -11.422 185 H GLY 25 HN GLY 25 -5.045 -2.453 -6.975 186 1HA GLY 25 HA2 GLY 25 -3.869 -0.769 -5.051 187 2HA GLY 25 HA1 GLY 25 -4.274 -2.464 -4.806 188 H GLU 26 HN GLU 26 -2.612 -3.564 -6.812 189 HA GLU 26 HA GLU 26 -0.185 -3.812 -5.420 190 1HB GLU 26 HB2 GLU 26 -1.247 -5.384 -7.192 191 2HB GLU 26 HB1 GLU 26 -0.425 -4.365 -8.365 192 1HG GLU 26 HG2 GLU 26 1.712 -4.848 -7.209 193 2HG GLU 26 HG1 GLU 26 0.846 -5.968 -6.159 194 H GLN 27 HN GLN 27 -1.300 -1.580 -7.840 195 HA GLN 27 HA GLN 27 1.192 -0.646 -8.739 196 1HB GLN 27 HB2 GLN 27 -1.594 0.272 -8.893 197 2HB GLN 27 HB1 GLN 27 -0.397 1.555 -8.968 198 1HG GLN 27 HG2 GLN 27 0.702 0.374 -10.829 199 2HG GLN 27 HG1 GLN 27 -0.570 -0.846 -10.774 200 1HE2 GLN 27 HE21 GLN 27 -1.438 -0.487 -12.755 201 2HE2 GLN 27 HE22 GLN 27 -2.221 0.982 -13.214 202 H LEU 28 HN LEU 28 -0.674 -0.022 -5.870 203 HA LEU 28 HA LEU 28 0.595 2.356 -5.029 204 1HB LEU 28 HB2 LEU 28 -1.497 1.096 -4.072 205 2HB LEU 28 HB1 LEU 28 -0.317 0.253 -3.088 206 HG LEU 28 HG LEU 28 0.464 2.604 -2.358 207 1HD1 LEU 28 HD11 LEU 28 -1.063 3.591 -4.231 208 2HD1 LEU 28 HD12 LEU 28 -0.889 4.425 -2.690 209 3HD1 LEU 28 HD13 LEU 28 -2.318 3.445 -3.005 210 1HD2 LEU 28 HD21 LEU 28 -1.580 0.856 -1.410 211 2HD2 LEU 28 HD22 LEU 28 -2.070 2.521 -1.091 212 3HD2 LEU 28 HD23 LEU 28 -0.523 1.925 -0.489 213 H TYR 29 HN TYR 29 1.357 -1.058 -4.640 214 HA TYR 29 HA TYR 29 3.578 -0.705 -2.912 215 1HB TYR 29 HB2 TYR 29 2.442 -2.840 -3.018 216 2HB TYR 29 HB1 TYR 29 2.839 -3.007 -4.725 217 HD1 TYR 29 HD1 TYR 29 4.416 -4.649 -5.090 218 HD2 TYR 29 HD2 TYR 29 4.796 -2.195 -1.636 219 HE1 TYR 29 HE1 TYR 29 6.498 -5.816 -4.495 220 HE2 TYR 29 HE2 TYR 29 6.879 -3.353 -1.034 221 HH TYR 29 HH TYR 29 8.722 -4.872 -2.827 222 H LYS 30 HN LYS 30 3.456 -1.382 -6.444 223 HA LYS 30 HA LYS 30 6.244 -1.273 -6.788 224 1HB LYS 30 HB2 LYS 30 5.737 -0.835 -9.205 225 2HB LYS 30 HB1 LYS 30 4.958 -2.258 -8.532 226 1HG LYS 30 HG2 LYS 30 2.963 -0.615 -8.149 227 2HG LYS 30 HG1 LYS 30 3.766 0.324 -9.409 228 1HD LYS 30 HD2 LYS 30 3.188 -2.605 -9.751 229 2HD LYS 30 HD1 LYS 30 1.987 -1.377 -10.144 230 1HE LYS 30 HE2 LYS 30 3.462 -0.375 -11.756 231 2HE LYS 30 HE1 LYS 30 4.772 -1.460 -11.290 232 1HZ LYS 30 HZ1 LYS 30 3.471 -3.325 -12.099 233 2HZ LYS 30 HZ2 LYS 30 3.690 -2.185 -13.329 234 3HZ LYS 30 HZ3 LYS 30 2.203 -2.290 -12.530 235 H LYS 31 HN LYS 31 3.822 1.243 -6.662 236 HA LYS 31 HA LYS 31 5.362 3.344 -7.738 237 1HB LYS 31 HB2 LYS 31 2.813 3.189 -7.030 238 2HB LYS 31 HB1 LYS 31 3.423 3.889 -5.541 239 1HG LYS 31 HG2 LYS 31 3.245 5.877 -6.496 240 2HG LYS 31 HG1 LYS 31 4.570 5.415 -7.565 241 1HD LYS 31 HD2 LYS 31 3.209 5.329 -9.328 242 2HD LYS 31 HD1 LYS 31 2.071 4.287 -8.472 243 1HE LYS 31 HE2 LYS 31 1.044 6.401 -9.208 244 2HE LYS 31 HE1 LYS 31 1.017 6.212 -7.456 245 1HZ LYS 31 HZ1 LYS 31 3.102 7.601 -7.453 246 2HZ LYS 31 HZ2 LYS 31 1.676 8.409 -7.868 247 3HZ LYS 31 HZ3 LYS 31 2.773 7.962 -9.074 248 H VAL 32 HN VAL 32 5.090 2.027 -4.481 249 HA VAL 32 HA VAL 32 6.863 4.017 -3.348 250 HB VAL 32 HB VAL 32 6.769 2.605 -1.306 251 1HG1 VAL 32 HG11 VAL 32 4.663 4.089 -2.515 252 2HG1 VAL 32 HG12 VAL 32 5.055 3.917 -0.804 253 3HG1 VAL 32 HG13 VAL 32 3.964 2.769 -1.579 254 1HG2 VAL 32 HG21 VAL 32 4.700 0.946 -2.699 255 2HG2 VAL 32 HG22 VAL 32 5.462 0.674 -1.132 256 3HG2 VAL 32 HG23 VAL 32 6.392 0.468 -2.607 257 H SER 33 HN SER 33 7.036 0.636 -4.407 258 HA SER 33 HA SER 33 9.761 0.316 -3.597 259 1HB SER 33 HB2 SER 33 7.700 -1.390 -4.422 260 2HB SER 33 HB1 SER 33 8.917 -1.509 -5.692 261 HG SER 33 HG SER 33 9.782 -2.866 -4.320 262 H ALA 34 HN ALA 34 8.594 2.358 -5.760 263 HA ALA 34 HA ALA 34 9.906 1.856 -8.173 264 1HB ALA 34 HB1 ALA 34 9.396 4.069 -8.758 265 2HB ALA 34 HB2 ALA 34 9.418 4.610 -7.081 266 3HB ALA 34 HB3 ALA 34 8.105 3.584 -7.660 267 H LYS 35 HN LYS 35 11.288 2.368 -5.180 268 HA LYS 35 HA LYS 35 13.675 3.656 -6.300 269 1HB LYS 35 HB2 LYS 35 13.020 3.118 -3.398 270 2HB LYS 35 HB1 LYS 35 14.334 4.109 -4.015 271 1HG LYS 35 HG2 LYS 35 11.633 4.891 -4.886 272 2HG LYS 35 HG1 LYS 35 11.978 5.087 -3.166 273 1HD LYS 35 HD2 LYS 35 14.235 6.045 -4.565 274 2HD LYS 35 HD1 LYS 35 12.814 6.709 -5.374 275 1HE LYS 35 HE2 LYS 35 12.184 7.040 -2.733 276 2HE LYS 35 HE1 LYS 35 13.928 7.297 -2.732 277 1HZ LYS 35 HZ1 LYS 35 13.448 9.357 -3.374 278 2HZ LYS 35 HZ2 LYS 35 11.842 8.977 -3.741 279 3HZ LYS 35 HZ3 LYS 35 13.055 8.714 -4.888 280 H THR 36 HN THR 36 12.446 0.637 -5.239 281 HA THR 36 HA THR 36 14.595 -0.863 -6.129 282 HB THR 36 HB THR 36 15.951 0.010 -4.360 283 HG1 THR 36 HG1 THR 36 15.341 -2.363 -3.101 284 1HG2 THR 36 HG21 THR 36 14.465 0.881 -2.770 285 2HG2 THR 36 HG22 THR 36 15.312 -0.435 -1.956 286 3HG2 THR 36 HG23 THR 36 13.666 -0.673 -2.545 287 H SER 37 HN SER 37 14.499 -3.191 -5.281 288 HA SER 37 HA SER 37 11.679 -3.907 -5.048 289 1HB SER 37 HB2 SER 37 14.134 -5.272 -6.015 290 2HB SER 37 HB1 SER 37 12.882 -6.293 -5.308 291 HG SER 37 HG SER 37 12.367 -6.128 -7.430 292 H ASN 38 HN ASN 38 12.807 -2.806 -2.754 293 HA ASN 38 HA ASN 38 13.505 -4.933 -0.924 294 1HB ASN 38 HB2 ASN 38 13.657 -2.071 -0.903 295 2HB ASN 38 HB1 ASN 38 12.780 -2.612 0.523 296 1HD2 ASN 38 HD21 ASN 38 15.771 -1.978 -0.705 297 2HD2 ASN 38 HD22 ASN 38 16.730 -2.872 0.419 298 H GLU 39 HN GLU 39 11.922 -6.346 -0.480 299 HA GLU 39 HA GLU 39 9.174 -5.789 -0.522 300 1HB GLU 39 HB2 GLU 39 10.739 -8.000 0.803 301 2HB GLU 39 HB1 GLU 39 8.982 -7.952 0.773 302 1HG GLU 39 HG2 GLU 39 9.299 -9.231 -1.055 303 2HG GLU 39 HG1 GLU 39 9.434 -7.653 -1.831 304 H GLU 40 HN GLU 40 11.552 -5.434 1.996 305 HA GLU 40 HA GLU 40 9.575 -5.102 4.084 306 1HB GLU 40 HB2 GLU 40 12.576 -4.775 4.061 307 2HB GLU 40 HB1 GLU 40 11.578 -4.522 5.486 308 1HG GLU 40 HG2 GLU 40 10.762 -6.987 4.689 309 2HG GLU 40 HG1 GLU 40 12.460 -7.006 4.216 310 H ALA 41 HN ALA 41 11.282 -3.114 1.841 311 HA ALA 41 HA ALA 41 10.972 -0.645 3.288 312 1HB ALA 41 HB1 ALA 41 12.809 -0.991 1.715 313 2HB ALA 41 HB2 ALA 41 11.813 0.389 1.279 314 3HB ALA 41 HB3 ALA 41 11.648 -1.116 0.395 315 H ALA 42 HN ALA 42 9.802 -1.447 0.047 316 HA ALA 42 HA ALA 42 7.806 0.464 -0.071 317 1HB ALA 42 HB1 ALA 42 8.333 -0.404 -2.126 318 2HB ALA 42 HB2 ALA 42 6.813 -1.232 -1.799 319 3HB ALA 42 HB3 ALA 42 8.344 -2.068 -1.543 320 H GLY 43 HN GLY 43 7.699 -2.840 1.166 321 1HA GLY 43 HA2 GLY 43 4.882 -2.973 1.469 322 2HA GLY 43 HA1 GLY 43 6.061 -3.977 2.303 323 H LYS 44 HN LYS 44 7.425 -1.526 3.346 324 HA LYS 44 HA LYS 44 5.943 -1.337 5.787 325 1HB LYS 44 HB2 LYS 44 8.549 -1.058 5.226 326 2HB LYS 44 HB1 LYS 44 8.085 0.635 5.205 327 1HG LYS 44 HG2 LYS 44 7.370 -1.152 7.500 328 2HG LYS 44 HG1 LYS 44 8.941 -0.354 7.399 329 1HD LYS 44 HD2 LYS 44 7.073 1.645 6.841 330 2HD LYS 44 HD1 LYS 44 6.373 0.723 8.172 331 1HE LYS 44 HE2 LYS 44 9.058 1.011 8.844 332 2HE LYS 44 HE1 LYS 44 8.595 2.573 8.172 333 1HZ LYS 44 HZ1 LYS 44 6.562 2.294 9.722 334 2HZ LYS 44 HZ2 LYS 44 8.036 2.806 10.372 335 3HZ LYS 44 HZ3 LYS 44 7.549 1.196 10.550 336 H ILE 45 HN ILE 45 7.001 1.208 3.526 337 HA ILE 45 HA ILE 45 5.306 3.167 4.580 338 HB ILE 45 HB ILE 45 5.714 4.415 2.478 339 1HG1 ILE 45 HG12 ILE 45 7.245 1.928 1.705 340 2HG1 ILE 45 HG11 ILE 45 5.835 2.594 0.882 341 1HG2 ILE 45 HG21 ILE 45 7.316 4.089 4.546 342 2HG2 ILE 45 HG22 ILE 45 7.817 5.016 3.132 343 3HG2 ILE 45 HG23 ILE 45 8.353 3.348 3.327 344 1HD1 ILE 45 HD11 ILE 45 8.080 4.455 1.177 345 2HD1 ILE 45 HD12 ILE 45 7.045 4.131 -0.211 346 3HD1 ILE 45 HD13 ILE 45 8.394 3.053 0.153 347 H THR 46 HN THR 46 4.767 0.745 2.085 348 HA THR 46 HA THR 46 2.400 1.815 1.007 349 HB THR 46 HB THR 46 3.314 -1.057 1.288 350 HG1 THR 46 HG1 THR 46 3.647 -0.739 -0.999 351 1HG2 THR 46 HG21 THR 46 0.710 -0.230 0.649 352 2HG2 THR 46 HG22 THR 46 1.419 -1.833 0.460 353 3HG2 THR 46 HG23 THR 46 1.482 -0.679 -0.872 354 H GLY 47 HN GLY 47 3.090 0.077 3.959 355 1HA GLY 47 HA2 GLY 47 0.476 -0.691 4.651 356 2HA GLY 47 HA1 GLY 47 1.793 -0.409 5.783 357 H MET 48 HN MET 48 2.247 2.331 5.093 358 HA MET 48 HA MET 48 0.325 3.565 6.776 359 1HB MET 48 HB2 MET 48 2.540 4.615 5.030 360 2HB MET 48 HB1 MET 48 1.444 5.713 5.860 361 1HG MET 48 HG2 MET 48 3.158 5.588 7.361 362 2HG MET 48 HG1 MET 48 2.095 4.317 7.962 363 1HE MET 48 HE1 MET 48 6.061 4.018 8.144 364 2HE MET 48 HE2 MET 48 5.157 5.441 7.624 365 3HE MET 48 HE3 MET 48 6.113 4.529 6.457 366 H ILE 49 HN ILE 49 0.968 3.804 3.280 367 HA ILE 49 HA ILE 49 -1.356 5.375 2.751 368 HB ILE 49 HB ILE 49 0.153 3.703 0.742 369 1HG1 ILE 49 HG12 ILE 49 0.932 6.500 0.853 370 2HG1 ILE 49 HG11 ILE 49 1.272 5.679 2.372 371 1HG2 ILE 49 HG21 ILE 49 -0.651 5.223 -0.883 372 2HG2 ILE 49 HG22 ILE 49 -1.228 6.346 0.346 373 3HG2 ILE 49 HG23 ILE 49 -2.036 4.797 0.119 374 1HD1 ILE 49 HD11 ILE 49 2.078 4.206 -0.029 375 2HD1 ILE 49 HD12 ILE 49 2.937 4.476 1.487 376 3HD1 ILE 49 HD13 ILE 49 2.929 5.727 0.244 377 H LEU 50 HN LEU 50 -1.045 2.234 3.701 378 HA LEU 50 HA LEU 50 -2.887 0.896 2.006 379 1HB LEU 50 HB2 LEU 50 -1.114 0.118 3.896 380 2HB LEU 50 HB1 LEU 50 -2.617 -0.036 4.783 381 HG LEU 50 HG LEU 50 -3.445 -1.690 3.325 382 1HD1 LEU 50 HD11 LEU 50 -3.145 -1.243 1.141 383 2HD1 LEU 50 HD12 LEU 50 -1.707 -2.246 1.321 384 3HD1 LEU 50 HD13 LEU 50 -1.573 -0.489 1.403 385 1HD2 LEU 50 HD21 LEU 50 -0.654 -2.580 3.151 386 2HD2 LEU 50 HD22 LEU 50 -2.051 -3.357 3.894 387 3HD2 LEU 50 HD23 LEU 50 -1.193 -2.077 4.751 388 H ASP 51 HN ASP 51 -3.552 3.494 3.738 389 HA ASP 51 HA ASP 51 -5.885 2.637 5.184 390 1HB ASP 51 HB2 ASP 51 -4.233 4.806 5.393 391 2HB ASP 51 HB1 ASP 51 -5.618 5.503 4.558 392 H LEU 52 HN LEU 52 -5.127 3.646 1.973 393 HA LEU 52 HA LEU 52 -7.747 4.566 1.274 394 1HB LEU 52 HB2 LEU 52 -5.315 3.783 -0.315 395 2HB LEU 52 HB1 LEU 52 -6.827 4.199 -1.097 396 HG LEU 52 HG LEU 52 -6.739 6.442 -0.256 397 1HD1 LEU 52 HD11 LEU 52 -5.911 6.155 1.948 398 2HD1 LEU 52 HD12 LEU 52 -4.754 7.181 1.100 399 3HD1 LEU 52 HD13 LEU 52 -4.393 5.475 1.362 400 1HD2 LEU 52 HD21 LEU 52 -5.141 5.550 -2.168 401 2HD2 LEU 52 HD22 LEU 52 -3.897 6.067 -1.029 402 3HD2 LEU 52 HD23 LEU 52 -5.088 7.226 -1.619 403 HA PRO 53 HA PRO 53 -9.672 0.536 1.138 404 1HB PRO 53 HB2 PRO 53 -11.468 1.901 -0.799 405 2HB PRO 53 HB1 PRO 53 -11.868 0.968 0.646 406 1HG PRO 53 HG2 PRO 53 -12.032 3.636 0.640 407 2HG PRO 53 HG1 PRO 53 -11.480 2.745 2.072 408 1HD PRO 53 HD2 PRO 53 -9.903 4.324 0.095 409 2HD PRO 53 HD1 PRO 53 -9.644 4.111 1.837 410 HA PRO 54 HA PRO 54 -8.588 -1.689 -2.489 411 1HB PRO 54 HB2 PRO 54 -11.434 -2.066 -3.273 412 2HB PRO 54 HB1 PRO 54 -10.163 -3.265 -3.019 413 1HG PRO 54 HG2 PRO 54 -12.091 -2.914 -1.210 414 2HG PRO 54 HG1 PRO 54 -10.421 -3.254 -0.719 415 1HD PRO 54 HD2 PRO 54 -11.925 -0.677 -0.676 416 2HD PRO 54 HD1 PRO 54 -10.716 -1.299 0.466 417 H GLN 55 HN GLN 55 -11.623 -0.250 -3.687 418 HA GLN 55 HA GLN 55 -10.338 0.495 -6.147 419 1HB GLN 55 HB2 GLN 55 -12.565 1.483 -6.722 420 2HB GLN 55 HB1 GLN 55 -12.595 -0.227 -6.323 421 1HG GLN 55 HG2 GLN 55 -13.674 0.126 -4.314 422 2HG GLN 55 HG1 GLN 55 -13.170 1.813 -4.222 423 1HE2 GLN 55 HE21 GLN 55 -14.723 3.212 -4.581 424 2HE2 GLN 55 HE22 GLN 55 -16.116 2.968 -5.574 425 H GLU 56 HN GLU 56 -11.304 2.160 -3.216 426 HA GLU 56 HA GLU 56 -11.131 4.795 -4.191 427 1HB GLU 56 HB2 GLU 56 -10.985 3.580 -1.461 428 2HB GLU 56 HB1 GLU 56 -10.630 5.287 -1.678 429 1HG GLU 56 HG2 GLU 56 -13.179 3.974 -2.584 430 2HG GLU 56 HG1 GLU 56 -12.978 4.784 -1.031 431 H VAL 57 HN VAL 57 -8.667 2.514 -3.474 432 HA VAL 57 HA VAL 57 -6.632 4.523 -3.027 433 HB VAL 57 HB VAL 57 -6.510 2.329 -1.882 434 1HG1 VAL 57 HG11 VAL 57 -5.357 0.746 -3.934 435 2HG1 VAL 57 HG12 VAL 57 -6.921 1.324 -4.500 436 3HG1 VAL 57 HG13 VAL 57 -6.809 0.432 -2.987 437 1HG2 VAL 57 HG21 VAL 57 -4.467 3.823 -2.959 438 2HG2 VAL 57 HG22 VAL 57 -4.065 2.179 -3.455 439 3HG2 VAL 57 HG23 VAL 57 -4.293 2.553 -1.748 440 H PHE 58 HN PHE 58 -7.865 2.598 -5.653 441 HA PHE 58 HA PHE 58 -5.884 2.530 -7.506 442 1HB PHE 58 HB2 PHE 58 -8.799 3.170 -7.922 443 2HB PHE 58 HB1 PHE 58 -7.682 2.893 -9.248 444 HD1 PHE 58 HD1 PHE 58 -9.377 1.160 -9.870 445 HD2 PHE 58 HD2 PHE 58 -6.984 0.885 -6.367 446 HE1 PHE 58 HE1 PHE 58 -9.834 -1.251 -9.756 447 HE2 PHE 58 HE2 PHE 58 -7.443 -1.532 -6.238 448 HZ PHE 58 HZ PHE 58 -8.867 -2.597 -7.946 449 HA PRO 59 HA PRO 59 -6.969 7.066 -9.026 450 1HB PRO 59 HB2 PRO 59 -7.961 8.639 -6.968 451 2HB PRO 59 HB1 PRO 59 -8.923 7.928 -8.267 452 1HG PRO 59 HG2 PRO 59 -8.503 6.968 -5.473 453 2HG PRO 59 HG1 PRO 59 -9.975 6.943 -6.461 454 1HD PRO 59 HD2 PRO 59 -8.515 4.735 -6.077 455 2HD PRO 59 HD1 PRO 59 -9.307 5.057 -7.631 456 H LEU 60 HN LEU 60 -5.791 6.244 -5.832 457 HA LEU 60 HA LEU 60 -3.988 8.537 -5.814 458 1HB LEU 60 HB2 LEU 60 -5.183 7.824 -3.746 459 2HB LEU 60 HB1 LEU 60 -4.247 6.343 -3.768 460 HG LEU 60 HG LEU 60 -3.490 8.314 -2.249 461 1HD1 LEU 60 HD11 LEU 60 -1.056 7.737 -2.853 462 2HD1 LEU 60 HD12 LEU 60 -1.780 6.619 -4.005 463 3HD1 LEU 60 HD13 LEU 60 -2.121 6.453 -2.284 464 1HD2 LEU 60 HD21 LEU 60 -1.967 9.171 -4.658 465 2HD2 LEU 60 HD22 LEU 60 -2.297 10.047 -3.164 466 3HD2 LEU 60 HD23 LEU 60 -3.574 9.833 -4.359 467 H LEU 61 HN LEU 61 -3.814 5.013 -5.898 468 HA LEU 61 HA LEU 61 -1.017 4.819 -5.881 469 1HB LEU 61 HB2 LEU 61 -1.457 2.580 -7.058 470 2HB LEU 61 HB1 LEU 61 -2.089 2.815 -5.442 471 HG LEU 61 HG LEU 61 -4.232 3.591 -6.860 472 1HD1 LEU 61 HD11 LEU 61 -4.334 1.657 -8.626 473 2HD1 LEU 61 HD12 LEU 61 -2.591 1.903 -8.658 474 3HD1 LEU 61 HD13 LEU 61 -3.679 3.239 -9.034 475 1HD2 LEU 61 HD21 LEU 61 -3.327 1.007 -5.738 476 2HD2 LEU 61 HD22 LEU 61 -4.792 1.002 -6.720 477 3HD2 LEU 61 HD23 LEU 61 -4.695 2.022 -5.287 478 H GLU 62 HN GLU 62 -3.018 6.072 -8.316 479 HA GLU 62 HA GLU 62 -0.918 5.613 -10.324 480 1HB GLU 62 HB2 GLU 62 -2.623 6.006 -12.038 481 2HB GLU 62 HB1 GLU 62 -3.065 4.665 -10.991 482 1HG GLU 62 HG2 GLU 62 -4.960 5.644 -10.404 483 2HG GLU 62 HG1 GLU 62 -4.133 7.145 -9.990 484 H SER 63 HN SER 63 -2.218 7.928 -8.278 485 HA SER 63 HA SER 63 -1.630 10.172 -10.058 486 1HB SER 63 HB2 SER 63 -3.480 9.758 -7.937 487 2HB SER 63 HB1 SER 63 -2.385 11.045 -7.441 488 HG SER 63 HG SER 63 -3.452 11.104 -10.031 489 H ASP 64 HN ASP 64 0.443 10.738 -10.141 490 HA ASP 64 HA ASP 64 2.417 10.123 -8.279 491 1HB ASP 64 HB2 ASP 64 2.338 11.298 -10.775 492 2HB ASP 64 HB1 ASP 64 2.932 12.598 -9.747 493 H GLU 65 HN GLU 65 0.996 13.351 -8.842 494 HA GLU 65 HA GLU 65 2.196 14.673 -6.744 495 1HB GLU 65 HB2 GLU 65 0.238 16.239 -6.844 496 2HB GLU 65 HB1 GLU 65 1.019 15.926 -8.388 497 1HG GLU 65 HG2 GLU 65 -0.848 14.065 -8.548 498 2HG GLU 65 HG1 GLU 65 -1.675 15.145 -7.426 499 H LEU 66 HN LEU 66 -1.080 13.243 -6.665 500 HA LEU 66 HA LEU 66 -1.547 13.761 -3.954 501 1HB LEU 66 HB2 LEU 66 -2.992 12.765 -6.041 502 2HB LEU 66 HB1 LEU 66 -2.806 11.346 -5.041 503 HG LEU 66 HG LEU 66 -4.871 12.369 -4.444 504 1HD1 LEU 66 HD11 LEU 66 -2.741 12.995 -2.406 505 2HD1 LEU 66 HD12 LEU 66 -3.685 11.510 -2.546 506 3HD1 LEU 66 HD13 LEU 66 -4.474 13.017 -2.079 507 1HD2 LEU 66 HD21 LEU 66 -3.290 14.858 -4.651 508 2HD2 LEU 66 HD22 LEU 66 -4.550 14.817 -3.419 509 3HD2 LEU 66 HD23 LEU 66 -4.961 14.531 -5.109 510 H PHE 67 HN PHE 67 -0.040 11.015 -5.548 511 HA PHE 67 HA PHE 67 0.101 9.238 -3.379 512 1HB PHE 67 HB2 PHE 67 0.759 8.853 -5.861 513 2HB PHE 67 HB1 PHE 67 2.335 9.471 -5.384 514 HD1 PHE 67 HD1 PHE 67 3.797 8.156 -3.924 515 HD2 PHE 67 HD2 PHE 67 -0.051 6.734 -5.075 516 HE1 PHE 67 HE1 PHE 67 4.398 5.910 -3.151 517 HE2 PHE 67 HE2 PHE 67 0.560 4.486 -4.307 518 HZ PHE 67 HZ PHE 67 2.778 4.067 -3.339 519 H GLU 68 HN GLU 68 2.519 11.570 -4.540 520 HA GLU 68 HA GLU 68 4.540 11.252 -2.765 521 1HB GLU 68 HB2 GLU 68 3.449 13.570 -4.239 522 2HB GLU 68 HB1 GLU 68 4.516 13.956 -2.895 523 1HG GLU 68 HG2 GLU 68 6.013 12.097 -4.049 524 2HG GLU 68 HG1 GLU 68 5.107 12.621 -5.468 525 H GLN 69 HN GLN 69 1.564 13.104 -2.160 526 HA GLN 69 HA GLN 69 2.201 14.176 0.319 527 1HB GLN 69 HB2 GLN 69 -0.497 13.161 -0.595 528 2HB GLN 69 HB1 GLN 69 -0.218 14.288 0.726 529 1HG GLN 69 HG2 GLN 69 0.800 14.964 -1.987 530 2HG GLN 69 HG1 GLN 69 -0.922 15.132 -1.647 531 1HE2 GLN 69 HE21 GLN 69 -1.578 16.967 -0.779 532 2HE2 GLN 69 HE22 GLN 69 -0.571 18.140 -0.008 533 H HIS 70 HN HIS 70 0.203 11.287 -0.169 534 HA HIS 70 HA HIS 70 0.361 10.420 2.513 535 1HB HIS 70 HB2 HIS 70 -0.126 8.682 0.083 536 2HB HIS 70 HB1 HIS 70 -0.587 8.321 1.744 537 HD2 HIS 70 HD2 HIS 70 -2.247 9.563 -1.314 538 HE1 HIS 70 HE1 HIS 70 -4.360 11.418 1.859 539 HE2 HIS 70 HE2 HIS 70 -4.407 10.772 -0.575 540 H TYR 71 HN TYR 71 2.112 9.351 -0.387 541 HA TYR 71 HA TYR 71 3.770 7.479 0.863 542 1HB TYR 71 HB2 TYR 71 3.715 7.331 -1.455 543 2HB TYR 71 HB1 TYR 71 3.901 9.064 -1.676 544 HD1 TYR 71 HD1 TYR 71 5.868 9.723 -2.630 545 HD2 TYR 71 HD2 TYR 71 5.877 6.262 -0.157 546 HE1 TYR 71 HE1 TYR 71 8.260 9.418 -3.081 547 HE2 TYR 71 HE2 TYR 71 8.277 5.947 -0.598 548 HH TYR 71 HH TYR 71 9.938 6.559 -2.268 549 H LYS 72 HN LYS 72 3.763 10.896 1.079 550 HA LYS 72 HA LYS 72 6.517 11.382 1.518 551 1HB LYS 72 HB2 LYS 72 4.570 13.063 1.093 552 2HB LYS 72 HB1 LYS 72 4.352 12.994 2.832 553 1HG LYS 72 HG2 LYS 72 7.104 13.397 2.351 554 2HG LYS 72 HG1 LYS 72 6.217 14.515 1.314 555 1HD LYS 72 HD2 LYS 72 5.084 15.472 3.170 556 2HD LYS 72 HD1 LYS 72 5.634 14.189 4.251 557 1HE LYS 72 HE2 LYS 72 7.450 16.167 2.880 558 2HE LYS 72 HE1 LYS 72 6.854 16.340 4.530 559 1HZ LYS 72 HZ1 LYS 72 8.347 14.887 5.283 560 2HZ LYS 72 HZ2 LYS 72 9.139 15.072 3.800 561 3HZ LYS 72 HZ3 LYS 72 8.066 13.785 4.031 562 H GLU 73 HN GLU 73 3.838 11.219 3.867 563 HA GLU 73 HA GLU 73 5.326 11.288 6.192 564 1HB GLU 73 HB2 GLU 73 2.724 9.904 5.554 565 2HB GLU 73 HB1 GLU 73 3.400 9.922 7.177 566 1HG GLU 73 HG2 GLU 73 3.454 12.484 6.874 567 2HG GLU 73 HG1 GLU 73 2.319 12.188 5.557 568 H ALA 74 HN ALA 74 4.535 8.535 4.143 569 HA ALA 74 HA ALA 74 5.692 6.584 5.865 570 1HB ALA 74 HB1 ALA 74 5.075 5.042 4.274 571 2HB ALA 74 HB2 ALA 74 5.345 6.157 2.934 572 3HB ALA 74 HB3 ALA 74 3.926 6.342 3.963 573 H SER 75 HN SER 75 6.838 8.552 3.193 574 HA SER 75 HA SER 75 9.198 7.215 2.568 575 1HB SER 75 HB2 SER 75 8.895 8.919 1.082 576 2HB SER 75 HB1 SER 75 8.232 10.009 2.298 577 HG SER 75 HG SER 75 10.171 10.868 1.934 578 H ALA 76 HN ALA 76 8.748 9.872 4.911 579 HA ALA 76 HA ALA 76 11.307 9.980 5.945 580 1HB ALA 76 HB1 ALA 76 9.490 10.237 8.133 581 2HB ALA 76 HB2 ALA 76 8.756 10.958 6.701 582 3HB ALA 76 HB3 ALA 76 10.341 11.504 7.248 583 H ALA 77 HN ALA 77 8.749 7.663 6.616 584 HA ALA 77 HA ALA 77 10.195 6.316 8.720 585 1HB ALA 77 HB1 ALA 77 7.648 5.820 7.241 586 2HB ALA 77 HB2 ALA 77 7.912 6.051 8.969 587 3HB ALA 77 HB3 ALA 77 8.369 4.531 8.201 588 H TYR 78 HN TYR 78 10.021 6.238 5.319 589 HA TYR 78 HA TYR 78 10.887 3.629 4.722 590 1HB TYR 78 HB2 TYR 78 9.941 5.496 3.185 591 2HB TYR 78 HB1 TYR 78 11.598 6.071 3.103 592 HD1 TYR 78 HD1 TYR 78 9.818 5.121 0.812 593 HD2 TYR 78 HD2 TYR 78 12.746 3.135 3.168 594 HE1 TYR 78 HE1 TYR 78 10.245 3.572 -1.052 595 HE2 TYR 78 HE2 TYR 78 13.195 1.583 1.335 596 HH TYR 78 HH TYR 78 12.142 2.112 -1.821 597 H GLU 79 HN GLU 79 12.665 6.689 4.957 598 HA GLU 79 HA GLU 79 15.234 5.596 4.609 599 1HB GLU 79 HB2 GLU 79 16.066 7.742 5.347 600 2HB GLU 79 HB1 GLU 79 14.657 7.996 4.325 601 1HG GLU 79 HG2 GLU 79 13.275 8.398 6.252 602 2HG GLU 79 HG1 GLU 79 14.620 8.034 7.332 603 H SER 80 HN SER 80 13.354 6.303 7.498 604 HA SER 80 HA SER 80 15.302 5.807 9.407 605 1HB SER 80 HB2 SER 80 12.456 6.193 9.374 606 2HB SER 80 HB1 SER 80 12.861 4.889 10.487 607 HG SER 80 HG SER 80 14.101 6.257 11.658 608 H PHE 81 HN PHE 81 12.847 3.556 8.139 609 HA PHE 81 HA PHE 81 13.815 1.311 9.540 610 1HB PHE 81 HB2 PHE 81 11.768 1.861 7.563 611 2HB PHE 81 HB1 PHE 81 12.573 0.330 7.235 612 HD1 PHE 81 HD1 PHE 81 11.437 -1.479 8.052 613 HD2 PHE 81 HD2 PHE 81 11.432 2.137 10.299 614 HE1 PHE 81 HE1 PHE 81 10.076 -2.566 9.792 615 HE2 PHE 81 HE2 PHE 81 10.073 1.055 12.043 616 HZ PHE 81 HZ PHE 81 9.393 -1.299 11.790 617 H LYS 82 HN LYS 82 14.395 2.455 6.229 618 HA LYS 82 HA LYS 82 15.975 0.302 5.386 619 1HB LYS 82 HB2 LYS 82 15.486 3.067 4.472 620 2HB LYS 82 HB1 LYS 82 16.994 2.341 3.933 621 1HG LYS 82 HG2 LYS 82 14.571 0.681 3.653 622 2HG LYS 82 HG1 LYS 82 14.686 2.098 2.607 623 1HD LYS 82 HD2 LYS 82 15.679 0.370 1.372 624 2HD LYS 82 HD1 LYS 82 17.039 1.270 2.045 625 1HE LYS 82 HE2 LYS 82 16.122 -0.850 3.811 626 2HE LYS 82 HE1 LYS 82 16.616 -1.457 2.232 627 1HZ LYS 82 HZ1 LYS 82 18.570 0.326 2.910 628 2HZ LYS 82 HZ2 LYS 82 18.677 -1.359 3.019 629 3HZ LYS 82 HZ3 LYS 82 18.221 -0.452 4.372 630 H LYS 83 HN LYS 83 16.959 3.466 6.699 631 HA LYS 83 HA LYS 83 19.724 2.947 6.690 632 1HB LYS 83 HB2 LYS 83 18.149 4.821 8.464 633 2HB LYS 83 HB1 LYS 83 19.893 4.858 8.238 634 1HG LYS 83 HG2 LYS 83 18.102 5.089 5.864 635 2HG LYS 83 HG1 LYS 83 18.354 6.487 6.911 636 1HD LYS 83 HD2 LYS 83 20.753 4.980 6.020 637 2HD LYS 83 HD1 LYS 83 19.921 5.976 4.825 638 1HE LYS 83 HE2 LYS 83 20.026 7.828 6.608 639 2HE LYS 83 HE1 LYS 83 21.239 6.813 7.386 640 1HZ LYS 83 HZ1 LYS 83 21.976 8.614 5.714 641 2HZ LYS 83 HZ2 LYS 83 21.509 7.495 4.535 642 3HZ LYS 83 HZ3 LYS 83 22.711 7.091 5.656 643 H GLU 84 HN GLU 84 17.378 2.790 9.381 644 HA GLU 84 HA GLU 84 19.185 1.863 11.311 645 1HB GLU 84 HB2 GLU 84 16.547 2.572 11.325 646 2HB GLU 84 HB1 GLU 84 16.439 0.834 11.563 647 1HG GLU 84 HG2 GLU 84 16.489 1.844 13.702 648 2HG GLU 84 HG1 GLU 84 18.057 1.078 13.449 649 H GLN 85 HN GLN 85 17.466 0.192 8.779 650 HA GLN 85 HA GLN 85 17.754 -2.437 9.776 651 1HB GLN 85 HB2 GLN 85 16.958 -1.182 7.249 652 2HB GLN 85 HB1 GLN 85 17.765 -2.728 7.038 653 1HG GLN 85 HG2 GLN 85 15.357 -2.237 8.775 654 2HG GLN 85 HG1 GLN 85 15.338 -2.963 7.168 655 1HE2 GLN 85 HE21 GLN 85 14.202 -4.494 8.878 656 2HE2 GLN 85 HE22 GLN 85 15.211 -5.780 9.438 657 H GLU 86 HN GLU 86 19.943 -2.343 10.588 658 HA GLU 86 HA GLU 86 22.061 -2.299 8.592 659 1HB GLU 86 HB2 GLU 86 22.052 -2.331 11.599 660 2HB GLU 86 HB1 GLU 86 23.526 -2.591 10.676 661 1HG GLU 86 HG2 GLU 86 21.872 -0.195 10.075 662 2HG GLU 86 HG1 GLU 86 22.853 -0.207 11.540 663 H GLN 87 HN GLN 87 20.120 -4.500 8.683 664 HA GLN 87 HA GLN 87 21.812 -6.742 9.522 665 1HB GLN 87 HB2 GLN 87 18.874 -6.567 8.858 666 2HB GLN 87 HB1 GLN 87 19.708 -8.089 9.139 667 1HG GLN 87 HG2 GLN 87 20.425 -6.828 11.365 668 2HG GLN 87 HG1 GLN 87 18.916 -5.974 11.046 669 1HE2 GLN 87 HE21 GLN 87 20.352 -8.796 12.246 670 2HE2 GLN 87 HE22 GLN 87 18.907 -9.696 12.542 671 H GLN 88 HN GLN 88 19.805 -5.704 6.767 672 HA GLN 88 HA GLN 88 21.095 -7.688 5.070 673 1HB GLN 88 HB2 GLN 88 18.532 -6.847 5.170 674 2HB GLN 88 HB1 GLN 88 19.146 -5.800 3.898 675 1HG GLN 88 HG2 GLN 88 18.353 -7.623 2.731 676 2HG GLN 88 HG1 GLN 88 20.077 -7.967 2.866 677 1HE2 GLN 88 HE21 GLN 88 17.140 -9.331 3.046 678 2HE2 GLN 88 HE22 GLN 88 17.472 -10.640 4.125 679 H THR 89 HN THR 89 22.569 -5.290 6.057 680 HA THR 89 HA THR 89 23.184 -4.068 3.447 681 HB THR 89 HB THR 89 22.376 -2.458 5.132 682 HG1 THR 89 HG1 THR 89 25.138 -2.151 4.576 683 1HG2 THR 89 HG21 THR 89 24.791 -2.378 6.718 684 2HG2 THR 89 HG22 THR 89 23.882 -3.870 6.958 685 3HG2 THR 89 HG23 THR 89 23.103 -2.311 7.216 686 H GLU 90 HN GLU 90 24.622 -5.687 2.809 687 HA GLU 90 HA GLU 90 26.904 -6.295 4.490 688 1HB GLU 90 HB2 GLU 90 25.532 -7.791 2.704 689 2HB GLU 90 HB1 GLU 90 26.859 -7.240 1.689 690 1HG GLU 90 HG2 GLU 90 28.251 -8.693 2.607 691 2HG GLU 90 HG1 GLU 90 27.856 -8.131 4.230 692 H GLN 91 HN GLN 91 28.932 -5.548 4.243 693 HA GLN 91 HA GLN 91 29.336 -3.230 2.597 694 1HB GLN 91 HB2 GLN 91 30.322 -3.822 4.959 695 2HB GLN 91 HB1 GLN 91 31.568 -4.630 4.019 696 1HG GLN 91 HG2 GLN 91 32.361 -2.460 4.517 697 2HG GLN 91 HG1 GLN 91 31.933 -2.475 2.807 698 1HE2 GLN 91 HE21 GLN 91 30.037 -1.403 2.137 699 2HE2 GLN 91 HE22 GLN 91 29.331 -0.151 3.095 700 H ALA 92 HN ALA 92 30.979 -6.391 2.804 701 HA ALA 92 HA ALA 92 32.185 -5.968 0.196 702 1HB ALA 92 HB1 ALA 92 32.631 -7.772 2.471 703 2HB ALA 92 HB2 ALA 92 33.785 -7.040 1.355 704 3HB ALA 92 HB3 ALA 92 32.903 -8.492 0.883 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -9.158 -2.197 -30.163 2 2H GLY 1 HT2 GLY 1 -8.902 -0.723 -30.953 3 3H GLY 1 HT3 GLY 1 -10.419 -1.469 -31.025 4 1HA GLY 1 HA1 GLY 1 -9.267 0.190 -28.958 5 2HA GLY 1 HA2 GLY 1 -10.952 -0.064 -29.382 6 HA PRO 2 HA PRO 2 -10.851 -1.994 -25.278 7 1HB PRO 2 HB2 PRO 2 -13.651 -2.584 -26.091 8 2HB PRO 2 HB1 PRO 2 -13.040 -1.874 -24.592 9 1HG PRO 2 HG2 PRO 2 -14.240 -0.360 -26.425 10 2HG PRO 2 HG1 PRO 2 -12.834 0.240 -25.525 11 1HD PRO 2 HD2 PRO 2 -13.001 -0.767 -28.333 12 2HD PRO 2 HD1 PRO 2 -12.026 0.559 -27.665 13 H LEU 3 HN LEU 3 -10.399 -4.048 -24.736 14 HA LEU 3 HA LEU 3 -10.496 -6.078 -26.793 15 1HB LEU 3 HB2 LEU 3 -8.789 -5.538 -24.697 16 2HB LEU 3 HB1 LEU 3 -9.677 -6.936 -24.121 17 HG LEU 3 HG LEU 3 -8.586 -7.095 -26.875 18 1HD1 LEU 3 HD11 LEU 3 -6.627 -6.227 -26.023 19 2HD1 LEU 3 HD12 LEU 3 -6.418 -7.953 -25.726 20 3HD1 LEU 3 HD13 LEU 3 -6.912 -6.884 -24.412 21 1HD2 LEU 3 HD21 LEU 3 -9.888 -8.907 -25.763 22 2HD2 LEU 3 HD22 LEU 3 -8.580 -9.058 -24.590 23 3HD2 LEU 3 HD23 LEU 3 -8.278 -9.397 -26.295 24 H GLY 4 HN GLY 4 -12.512 -6.852 -27.124 25 1HA GLY 4 HA2 GLY 4 -14.166 -7.555 -24.811 26 2HA GLY 4 HA1 GLY 4 -14.704 -7.478 -26.481 27 H SER 5 HN SER 5 -15.086 -9.610 -24.532 28 HA SER 5 HA SER 5 -13.342 -11.770 -25.253 29 1HB SER 5 HB2 SER 5 -15.834 -11.516 -23.600 30 2HB SER 5 HB1 SER 5 -15.245 -13.113 -24.060 31 HG SER 5 HG SER 5 -13.146 -12.260 -23.177 32 HA PRO 6 HA PRO 6 -15.418 -13.274 -28.836 33 1HB PRO 6 HB2 PRO 6 -15.053 -15.958 -28.608 34 2HB PRO 6 HB1 PRO 6 -13.760 -14.838 -29.049 35 1HG PRO 6 HG2 PRO 6 -14.344 -16.123 -26.420 36 2HG PRO 6 HG1 PRO 6 -12.783 -15.796 -27.188 37 1HD PRO 6 HD2 PRO 6 -13.843 -14.261 -25.191 38 2HD PRO 6 HD1 PRO 6 -12.709 -13.647 -26.410 39 H ARG 7 HN ARG 7 -16.136 -15.454 -26.090 40 HA ARG 7 HA ARG 7 -18.871 -15.751 -27.076 41 1HB ARG 7 HB2 ARG 7 -17.052 -17.498 -25.838 42 2HB ARG 7 HB1 ARG 7 -18.310 -17.212 -24.644 43 1HG ARG 7 HG2 ARG 7 -19.963 -17.758 -26.509 44 2HG ARG 7 HG1 ARG 7 -18.570 -18.387 -27.389 45 1HD ARG 7 HD2 ARG 7 -18.494 -19.419 -24.739 46 2HD ARG 7 HD1 ARG 7 -20.119 -19.659 -25.378 47 HE ARG 7 HE ARG 7 -17.703 -20.960 -26.240 48 1HH1 ARG 7 HH11 ARG 7 -20.945 -20.044 -27.141 49 2HH1 ARG 7 HH12 ARG 7 -21.095 -21.279 -28.345 50 1HH2 ARG 7 HH21 ARG 7 -17.897 -22.589 -27.823 51 2HH2 ARG 7 HH22 ARG 7 -19.366 -22.724 -28.732 52 H ASN 8 HN ASN 8 -20.558 -14.746 -26.181 53 HA ASN 8 HA ASN 8 -20.108 -12.943 -23.969 54 1HB ASN 8 HB2 ASN 8 -22.277 -13.392 -25.958 55 2HB ASN 8 HB1 ASN 8 -22.718 -12.629 -24.434 56 1HD2 ASN 8 HD21 ASN 8 -20.770 -10.996 -23.816 57 2HD2 ASN 8 HD22 ASN 8 -20.483 -9.823 -25.053 58 H ALA 9 HN ALA 9 -20.147 -13.713 -21.968 59 HA ALA 9 HA ALA 9 -21.729 -16.038 -21.278 60 1HB ALA 9 HB1 ALA 9 -19.397 -14.767 -20.256 61 2HB ALA 9 HB2 ALA 9 -20.087 -16.328 -19.817 62 3HB ALA 9 HB3 ALA 9 -20.591 -14.870 -18.962 63 H ASN 10 HN ASN 10 -23.295 -16.075 -19.581 64 HA ASN 10 HA ASN 10 -24.894 -13.640 -19.503 65 1HB ASN 10 HB2 ASN 10 -25.925 -15.856 -20.048 66 2HB ASN 10 HB1 ASN 10 -25.564 -16.378 -18.405 67 1HD2 ASN 10 HD21 ASN 10 -26.604 -15.302 -16.661 68 2HD2 ASN 10 HD22 ASN 10 -28.126 -14.520 -16.898 69 H ASP 11 HN ASP 11 -23.166 -15.809 -17.340 70 HA ASP 11 HA ASP 11 -23.877 -14.142 -15.043 71 1HB ASP 11 HB2 ASP 11 -23.367 -16.924 -15.396 72 2HB ASP 11 HB1 ASP 11 -22.141 -16.286 -14.304 73 H ASN 12 HN ASN 12 -22.275 -13.269 -13.652 74 HA ASN 12 HA ASN 12 -19.845 -12.504 -15.075 75 1HB ASN 12 HB2 ASN 12 -21.242 -11.441 -12.626 76 2HB ASN 12 HB1 ASN 12 -19.605 -10.941 -13.045 77 1HD2 ASN 12 HD21 ASN 12 -19.870 -8.902 -13.675 78 2HD2 ASN 12 HD22 ASN 12 -20.924 -8.381 -14.941 79 H ASN 13 HN ASN 13 -17.764 -12.627 -14.097 80 HA ASN 13 HA ASN 13 -17.495 -14.953 -12.347 81 1HB ASN 13 HB2 ASN 13 -16.164 -14.319 -14.622 82 2HB ASN 13 HB1 ASN 13 -15.065 -13.654 -13.418 83 1HD2 ASN 13 HD21 ASN 13 -14.086 -15.603 -14.891 84 2HD2 ASN 13 HD22 ASN 13 -13.995 -17.090 -14.015 85 H GLN 14 HN GLN 14 -16.331 -14.920 -10.429 86 HA GLN 14 HA GLN 14 -16.410 -12.434 -9.004 87 1HB GLN 14 HB2 GLN 14 -15.175 -15.025 -8.071 88 2HB GLN 14 HB1 GLN 14 -15.766 -13.701 -7.078 89 1HG GLN 14 HG2 GLN 14 -17.753 -14.651 -6.966 90 2HG GLN 14 HG1 GLN 14 -17.902 -14.585 -8.721 91 1HE2 GLN 14 HE21 GLN 14 -18.629 -16.607 -6.591 92 2HE2 GLN 14 HE22 GLN 14 -17.984 -18.096 -7.185 93 H PHE 15 HN PHE 15 -13.880 -14.520 -10.318 94 HA PHE 15 HA PHE 15 -11.725 -13.015 -9.213 95 1HB PHE 15 HB2 PHE 15 -11.524 -15.397 -9.867 96 2HB PHE 15 HB1 PHE 15 -11.682 -14.922 -11.555 97 HD1 PHE 15 HD1 PHE 15 -9.754 -13.285 -8.834 98 HD2 PHE 15 HD2 PHE 15 -9.631 -15.446 -12.497 99 HE1 PHE 15 HE1 PHE 15 -7.324 -12.919 -8.962 100 HE2 PHE 15 HE2 PHE 15 -7.200 -15.087 -12.631 101 HZ PHE 15 HZ PHE 15 -6.044 -13.822 -10.864 102 H TYR 16 HN TYR 16 -13.851 -12.367 -11.739 103 HA TYR 16 HA TYR 16 -12.127 -11.119 -13.599 104 1HB TYR 16 HB2 TYR 16 -14.529 -11.832 -13.990 105 2HB TYR 16 HB1 TYR 16 -15.015 -10.393 -13.099 106 HD1 TYR 16 HD1 TYR 16 -14.401 -11.685 -16.293 107 HD2 TYR 16 HD2 TYR 16 -13.887 -8.148 -13.982 108 HE1 TYR 16 HE1 TYR 16 -14.257 -10.359 -18.361 109 HE2 TYR 16 HE2 TYR 16 -13.742 -6.816 -16.041 110 HH TYR 16 HH TYR 16 -13.772 -8.336 -19.231 111 H GLN 17 HN GLN 17 -14.152 -9.767 -10.996 112 HA GLN 17 HA GLN 17 -12.915 -7.163 -11.335 113 1HB GLN 17 HB2 GLN 17 -15.141 -8.200 -9.597 114 2HB GLN 17 HB1 GLN 17 -14.453 -6.600 -9.353 115 1HG GLN 17 HG2 GLN 17 -15.513 -5.742 -11.117 116 2HG GLN 17 HG1 GLN 17 -15.180 -7.150 -12.125 117 1HE2 GLN 17 HE21 GLN 17 -16.610 -8.918 -12.054 118 2HE2 GLN 17 HE22 GLN 17 -18.234 -8.738 -11.490 119 H GLN 18 HN GLN 18 -12.536 -9.957 -9.347 120 HA GLN 18 HA GLN 18 -11.409 -8.757 -7.064 121 1HB GLN 18 HB2 GLN 18 -11.330 -11.487 -8.265 122 2HB GLN 18 HB1 GLN 18 -10.194 -11.104 -6.979 123 1HG GLN 18 HG2 GLN 18 -11.903 -10.737 -5.427 124 2HG GLN 18 HG1 GLN 18 -13.133 -10.611 -6.683 125 1HE2 GLN 18 HE21 GLN 18 -14.448 -12.184 -5.857 126 2HE2 GLN 18 HE22 GLN 18 -14.026 -13.860 -5.837 127 H LYS 19 HN LYS 19 -9.931 -9.997 -10.045 128 HA LYS 19 HA LYS 19 -7.260 -9.542 -9.345 129 1HB LYS 19 HB2 LYS 19 -8.517 -10.606 -11.514 130 2HB LYS 19 HB1 LYS 19 -7.948 -9.080 -12.176 131 1HG LYS 19 HG2 LYS 19 -6.104 -10.915 -10.686 132 2HG LYS 19 HG1 LYS 19 -6.446 -11.140 -12.402 133 1HD LYS 19 HD2 LYS 19 -5.567 -8.475 -11.356 134 2HD LYS 19 HD1 LYS 19 -4.386 -9.738 -11.700 135 1HE LYS 19 HE2 LYS 19 -6.229 -9.506 -13.885 136 2HE LYS 19 HE1 LYS 19 -5.557 -7.922 -13.500 137 1HZ LYS 19 HZ1 LYS 19 -3.359 -9.401 -13.428 138 2HZ LYS 19 HZ2 LYS 19 -3.914 -8.645 -14.836 139 3HZ LYS 19 HZ3 LYS 19 -4.244 -10.283 -14.569 140 H GLN 20 HN GLN 20 -9.763 -7.398 -10.374 141 HA GLN 20 HA GLN 20 -8.130 -5.228 -11.196 142 1HB GLN 20 HB2 GLN 20 -10.992 -5.322 -10.233 143 2HB GLN 20 HB1 GLN 20 -10.222 -3.875 -10.862 144 1HG GLN 20 HG2 GLN 20 -10.238 -6.368 -12.498 145 2HG GLN 20 HG1 GLN 20 -11.684 -5.361 -12.409 146 1HE2 GLN 20 HE21 GLN 20 -11.842 -3.755 -13.797 147 2HE2 GLN 20 HE22 GLN 20 -10.546 -3.070 -14.710 148 H ARG 21 HN ARG 21 -9.685 -6.075 -8.120 149 HA ARG 21 HA ARG 21 -9.095 -3.783 -6.673 150 1HB ARG 21 HB2 ARG 21 -9.828 -6.534 -6.054 151 2HB ARG 21 HB1 ARG 21 -8.829 -5.793 -4.810 152 1HG ARG 21 HG2 ARG 21 -10.390 -4.137 -4.357 153 2HG ARG 21 HG1 ARG 21 -11.206 -4.349 -5.906 154 1HD ARG 21 HD2 ARG 21 -11.161 -6.547 -3.870 155 2HD ARG 21 HD1 ARG 21 -12.339 -5.239 -3.768 156 HE ARG 21 HE ARG 21 -12.157 -6.640 -6.311 157 1HH1 ARG 21 HH11 ARG 21 -13.844 -6.253 -3.273 158 2HH1 ARG 21 HH12 ARG 21 -15.289 -7.018 -3.840 159 1HH2 ARG 21 HH21 ARG 21 -14.056 -7.641 -7.050 160 2HH2 ARG 21 HH22 ARG 21 -15.410 -7.805 -5.982 161 H GLN 22 HN GLN 22 -7.196 -6.798 -6.764 162 HA GLN 22 HA GLN 22 -4.994 -5.625 -5.381 163 1HB GLN 22 HB2 GLN 22 -5.790 -8.221 -6.074 164 2HB GLN 22 HB1 GLN 22 -4.268 -7.968 -6.917 165 1HG GLN 22 HG2 GLN 22 -3.060 -7.860 -5.004 166 2HG GLN 22 HG1 GLN 22 -4.382 -7.154 -4.077 167 1HE2 GLN 22 HE21 GLN 22 -6.383 -8.934 -4.350 168 2HE2 GLN 22 HE22 GLN 22 -5.934 -10.463 -3.682 169 H ALA 23 HN ALA 23 -6.064 -5.392 -8.572 170 HA ALA 23 HA ALA 23 -3.567 -5.331 -9.924 171 1HB ALA 23 HB1 ALA 23 -5.572 -5.654 -11.202 172 2HB ALA 23 HB2 ALA 23 -4.814 -4.153 -11.722 173 3HB ALA 23 HB3 ALA 23 -6.221 -4.103 -10.663 174 H LEU 24 HN LEU 24 -5.735 -2.563 -9.380 175 HA LEU 24 HA LEU 24 -3.679 -0.652 -9.685 176 1HB LEU 24 HB2 LEU 24 -6.492 -0.614 -8.721 177 2HB LEU 24 HB1 LEU 24 -5.496 0.795 -8.434 178 HG LEU 24 HG LEU 24 -6.794 1.102 -10.450 179 1HD1 LEU 24 HD11 LEU 24 -4.036 0.485 -11.439 180 2HD1 LEU 24 HD12 LEU 24 -4.318 1.803 -10.306 181 3HD1 LEU 24 HD13 LEU 24 -5.106 1.813 -11.882 182 1HD2 LEU 24 HD21 LEU 24 -6.651 -0.391 -12.325 183 2HD2 LEU 24 HD22 LEU 24 -7.105 -1.315 -10.892 184 3HD2 LEU 24 HD23 LEU 24 -5.448 -1.380 -11.495 185 H GLY 25 HN GLY 25 -4.979 -2.367 -6.913 186 1HA GLY 25 HA2 GLY 25 -3.895 -0.765 -4.868 187 2HA GLY 25 HA1 GLY 25 -4.257 -2.482 -4.726 188 H GLU 26 HN GLU 26 -2.532 -3.479 -6.685 189 HA GLU 26 HA GLU 26 -0.124 -3.692 -5.259 190 1HB GLU 26 HB2 GLU 26 -1.204 -5.138 -7.220 191 2HB GLU 26 HB1 GLU 26 -0.119 -4.166 -8.201 192 1HG GLU 26 HG2 GLU 26 1.650 -5.349 -7.569 193 2HG GLU 26 HG1 GLU 26 1.211 -5.237 -5.865 194 H GLN 27 HN GLN 27 -1.253 -1.435 -7.657 195 HA GLN 27 HA GLN 27 1.198 -0.420 -8.546 196 1HB GLN 27 HB2 GLN 27 -1.586 0.397 -8.655 197 2HB GLN 27 HB1 GLN 27 -0.501 1.771 -8.511 198 1HG GLN 27 HG2 GLN 27 0.257 -0.274 -10.488 199 2HG GLN 27 HG1 GLN 27 -1.203 0.649 -10.843 200 1HE2 GLN 27 HE21 GLN 27 1.753 1.650 -9.184 201 2HE2 GLN 27 HE22 GLN 27 2.170 2.897 -10.304 202 H LEU 28 HN LEU 28 -0.694 0.179 -5.679 203 HA LEU 28 HA LEU 28 0.537 2.484 -4.689 204 1HB LEU 28 HB2 LEU 28 -1.518 1.066 -3.863 205 2HB LEU 28 HB1 LEU 28 -0.319 0.251 -2.882 206 HG LEU 28 HG LEU 28 0.264 2.440 -1.845 207 1HD1 LEU 28 HD11 LEU 28 -0.674 3.723 -3.864 208 2HD1 LEU 28 HD12 LEU 28 -0.936 4.390 -2.252 209 3HD1 LEU 28 HD13 LEU 28 -2.237 3.531 -3.075 210 1HD2 LEU 28 HD21 LEU 28 -1.168 1.137 -0.539 211 2HD2 LEU 28 HD22 LEU 28 -2.515 1.327 -1.660 212 3HD2 LEU 28 HD23 LEU 28 -2.011 2.683 -0.652 213 H TYR 29 HN TYR 29 1.287 -0.926 -4.153 214 HA TYR 29 HA TYR 29 3.531 -0.472 -2.484 215 1HB TYR 29 HB2 TYR 29 2.316 -2.552 -2.388 216 2HB TYR 29 HB1 TYR 29 2.654 -2.877 -4.081 217 HD1 TYR 29 HD1 TYR 29 4.720 -2.003 -1.075 218 HD2 TYR 29 HD2 TYR 29 4.120 -4.595 -4.389 219 HE1 TYR 29 HE1 TYR 29 6.698 -3.295 -0.413 220 HE2 TYR 29 HE2 TYR 29 6.102 -5.896 -3.735 221 HH TYR 29 HH TYR 29 7.652 -5.431 -0.686 222 H LYS 30 HN LYS 30 3.331 -1.464 -5.914 223 HA LYS 30 HA LYS 30 6.082 -1.528 -6.401 224 1HB LYS 30 HB2 LYS 30 5.523 -1.398 -8.755 225 2HB LYS 30 HB1 LYS 30 4.372 -2.446 -7.934 226 1HG LYS 30 HG2 LYS 30 2.706 -0.768 -7.955 227 2HG LYS 30 HG1 LYS 30 3.847 0.454 -8.510 228 1HD LYS 30 HD2 LYS 30 3.195 -2.001 -10.121 229 2HD LYS 30 HD1 LYS 30 2.269 -0.503 -10.254 230 1HE LYS 30 HE2 LYS 30 4.166 0.707 -11.005 231 2HE LYS 30 HE1 LYS 30 5.257 -0.614 -10.588 232 1HZ LYS 30 HZ1 LYS 30 4.683 -1.794 -12.431 233 2HZ LYS 30 HZ2 LYS 30 4.472 -0.230 -13.038 234 3HZ LYS 30 HZ3 LYS 30 3.130 -1.128 -12.535 235 H LYS 31 HN LYS 31 3.820 1.151 -6.373 236 HA LYS 31 HA LYS 31 5.388 3.066 -7.696 237 1HB LYS 31 HB2 LYS 31 2.898 3.124 -6.814 238 2HB LYS 31 HB1 LYS 31 3.639 3.874 -5.408 239 1HG LYS 31 HG2 LYS 31 3.278 5.766 -6.548 240 2HG LYS 31 HG1 LYS 31 4.762 5.317 -7.394 241 1HD LYS 31 HD2 LYS 31 2.686 3.925 -8.674 242 2HD LYS 31 HD1 LYS 31 2.082 5.561 -8.412 243 1HE LYS 31 HE2 LYS 31 4.733 5.836 -9.300 244 2HE LYS 31 HE1 LYS 31 3.997 4.608 -10.328 245 1HZ LYS 31 HZ1 LYS 31 2.659 7.187 -9.784 246 2HZ LYS 31 HZ2 LYS 31 2.349 6.086 -11.029 247 3HZ LYS 31 HZ3 LYS 31 3.767 7.009 -11.051 248 H VAL 32 HN VAL 32 5.442 1.833 -4.447 249 HA VAL 32 HA VAL 32 7.249 3.864 -3.457 250 HB VAL 32 HB VAL 32 6.613 1.201 -2.175 251 1HG1 VAL 32 HG11 VAL 32 8.501 2.177 -1.148 252 2HG1 VAL 32 HG12 VAL 32 7.138 2.557 -0.099 253 3HG1 VAL 32 HG13 VAL 32 7.786 3.787 -1.185 254 1HG2 VAL 32 HG21 VAL 32 5.246 3.662 -1.266 255 2HG2 VAL 32 HG22 VAL 32 4.673 1.994 -1.305 256 3HG2 VAL 32 HG23 VAL 32 4.687 2.959 -2.782 257 H SER 33 HN SER 33 7.433 0.377 -4.153 258 HA SER 33 HA SER 33 10.278 0.281 -3.887 259 1HB SER 33 HB2 SER 33 9.861 -2.035 -5.010 260 2HB SER 33 HB1 SER 33 9.239 -1.750 -3.384 261 HG SER 33 HG SER 33 7.232 -1.685 -4.138 262 H ALA 34 HN ALA 34 8.565 1.817 -6.158 263 HA ALA 34 HA ALA 34 9.429 0.855 -8.625 264 1HB ALA 34 HB1 ALA 34 9.083 3.197 -9.426 265 2HB ALA 34 HB2 ALA 34 8.794 3.669 -7.751 266 3HB ALA 34 HB3 ALA 34 7.716 2.520 -8.542 267 H LYS 35 HN LYS 35 11.207 2.361 -6.119 268 HA LYS 35 HA LYS 35 13.410 3.013 -7.943 269 1HB LYS 35 HB2 LYS 35 12.324 4.447 -5.849 270 2HB LYS 35 HB1 LYS 35 13.762 3.737 -5.132 271 1HG LYS 35 HG2 LYS 35 15.107 5.132 -6.211 272 2HG LYS 35 HG1 LYS 35 14.295 4.849 -7.752 273 1HD LYS 35 HD2 LYS 35 12.797 6.581 -7.431 274 2HD LYS 35 HD1 LYS 35 12.975 6.543 -5.675 275 1HE LYS 35 HE2 LYS 35 15.226 7.350 -7.491 276 2HE LYS 35 HE1 LYS 35 14.025 8.508 -6.919 277 1HZ LYS 35 HZ1 LYS 35 16.197 8.192 -5.596 278 2HZ LYS 35 HZ2 LYS 35 15.456 6.795 -4.997 279 3HZ LYS 35 HZ3 LYS 35 14.737 8.307 -4.750 280 H THR 36 HN THR 36 12.401 0.439 -6.179 281 HA THR 36 HA THR 36 14.796 -0.973 -6.331 282 HB THR 36 HB THR 36 15.725 0.408 -4.626 283 HG1 THR 36 HG1 THR 36 14.777 -1.965 -3.397 284 1HG2 THR 36 HG21 THR 36 14.630 1.379 -2.966 285 2HG2 THR 36 HG22 THR 36 13.903 -0.142 -2.448 286 3HG2 THR 36 HG23 THR 36 13.152 0.802 -3.734 287 H SER 37 HN SER 37 14.591 -3.139 -5.623 288 HA SER 37 HA SER 37 11.830 -3.970 -5.257 289 1HB SER 37 HB2 SER 37 13.178 -5.121 -6.942 290 2HB SER 37 HB1 SER 37 14.340 -5.601 -5.706 291 HG SER 37 HG SER 37 12.638 -6.787 -4.708 292 H ASN 38 HN ASN 38 12.989 -2.666 -3.025 293 HA ASN 38 HA ASN 38 13.751 -4.656 -1.081 294 1HB ASN 38 HB2 ASN 38 13.556 -1.724 -1.172 295 2HB ASN 38 HB1 ASN 38 13.127 -2.432 0.384 296 1HD2 ASN 38 HD21 ASN 38 15.624 -1.422 -1.595 297 2HD2 ASN 38 HD22 ASN 38 16.944 -2.101 -0.710 298 H GLU 39 HN GLU 39 12.149 -6.102 -0.664 299 HA GLU 39 HA GLU 39 9.418 -5.531 -0.634 300 1HB GLU 39 HB2 GLU 39 10.675 -7.814 -0.676 301 2HB GLU 39 HB1 GLU 39 10.557 -7.707 1.076 302 1HG GLU 39 HG2 GLU 39 8.329 -8.086 1.090 303 2HG GLU 39 HG1 GLU 39 8.067 -7.247 -0.437 304 H GLU 40 HN GLU 40 11.843 -5.085 1.796 305 HA GLU 40 HA GLU 40 9.920 -4.747 3.934 306 1HB GLU 40 HB2 GLU 40 12.877 -4.127 3.933 307 2HB GLU 40 HB1 GLU 40 11.835 -4.283 5.341 308 1HG GLU 40 HG2 GLU 40 11.638 -6.594 5.088 309 2HG GLU 40 HG1 GLU 40 12.214 -6.550 3.423 310 H ALA 41 HN ALA 41 11.540 -2.820 1.591 311 HA ALA 41 HA ALA 41 11.319 -0.309 2.918 312 1HB ALA 41 HB1 ALA 41 12.960 -0.496 1.227 313 2HB ALA 41 HB2 ALA 41 11.719 0.583 0.600 314 3HB ALA 41 HB3 ALA 41 11.782 -1.086 0.054 315 H ALA 42 HN ALA 42 9.737 -1.357 -0.068 316 HA ALA 42 HA ALA 42 7.729 0.593 0.029 317 1HB ALA 42 HB1 ALA 42 8.140 -1.897 -1.567 318 2HB ALA 42 HB2 ALA 42 8.175 -0.212 -2.087 319 3HB ALA 42 HB3 ALA 42 6.636 -0.984 -1.702 320 H GLY 43 HN GLY 43 7.915 -2.644 1.347 321 1HA GLY 43 HA2 GLY 43 5.144 -3.018 1.803 322 2HA GLY 43 HA1 GLY 43 6.450 -3.833 2.657 323 H LYS 44 HN LYS 44 7.586 -1.156 3.377 324 HA LYS 44 HA LYS 44 6.254 -0.884 5.894 325 1HB LYS 44 HB2 LYS 44 8.760 -0.184 4.811 326 2HB LYS 44 HB1 LYS 44 8.001 1.334 5.274 327 1HG LYS 44 HG2 LYS 44 9.371 0.430 7.070 328 2HG LYS 44 HG1 LYS 44 7.672 0.505 7.533 329 1HD LYS 44 HD2 LYS 44 7.639 -1.966 6.663 330 2HD LYS 44 HD1 LYS 44 9.380 -1.872 6.939 331 1HE LYS 44 HE2 LYS 44 9.146 -1.935 9.167 332 2HE LYS 44 HE1 LYS 44 7.781 -0.817 9.147 333 1HZ LYS 44 HZ1 LYS 44 7.044 -2.919 9.963 334 2HZ LYS 44 HZ2 LYS 44 7.698 -3.740 8.637 335 3HZ LYS 44 HZ3 LYS 44 6.379 -2.703 8.421 336 H ILE 45 HN ILE 45 6.846 1.439 3.279 337 HA ILE 45 HA ILE 45 5.084 3.414 4.179 338 HB ILE 45 HB ILE 45 6.042 2.800 1.388 339 1HG1 ILE 45 HG12 ILE 45 7.011 4.964 3.255 340 2HG1 ILE 45 HG11 ILE 45 7.726 3.355 3.224 341 1HG2 ILE 45 HG21 ILE 45 4.571 4.299 0.665 342 2HG2 ILE 45 HG22 ILE 45 5.491 5.515 1.548 343 3HG2 ILE 45 HG23 ILE 45 4.106 4.733 2.309 344 1HD1 ILE 45 HD11 ILE 45 8.676 5.356 1.812 345 2HD1 ILE 45 HD12 ILE 45 7.465 4.792 0.661 346 3HD1 ILE 45 HD13 ILE 45 8.719 3.690 1.231 347 H THR 46 HN THR 46 4.581 0.652 2.039 348 HA THR 46 HA THR 46 2.078 1.281 1.025 349 HB THR 46 HB THR 46 3.205 -1.423 1.771 350 HG1 THR 46 HG1 THR 46 3.092 -1.015 -0.831 351 1HG2 THR 46 HG21 THR 46 0.580 -0.785 0.858 352 2HG2 THR 46 HG22 THR 46 1.287 -2.364 1.194 353 3HG2 THR 46 HG23 THR 46 1.445 -1.648 -0.410 354 H GLY 47 HN GLY 47 2.962 -0.106 4.149 355 1HA GLY 47 HA2 GLY 47 0.368 -0.771 5.022 356 2HA GLY 47 HA1 GLY 47 1.741 -0.425 6.066 357 H MET 48 HN MET 48 2.148 2.263 5.033 358 HA MET 48 HA MET 48 0.328 3.646 6.741 359 1HB MET 48 HB2 MET 48 2.596 4.412 4.961 360 2HB MET 48 HB1 MET 48 1.470 5.673 5.447 361 1HG MET 48 HG2 MET 48 2.647 5.898 7.304 362 2HG MET 48 HG1 MET 48 2.060 4.310 7.796 363 1HE MET 48 HE1 MET 48 5.493 5.105 8.828 364 2HE MET 48 HE2 MET 48 4.540 6.342 8.007 365 3HE MET 48 HE3 MET 48 6.053 5.779 7.297 366 H ILE 49 HN ILE 49 0.879 3.766 3.211 367 HA ILE 49 HA ILE 49 -1.472 5.302 2.729 368 HB ILE 49 HB ILE 49 -0.019 3.639 0.679 369 1HG1 ILE 49 HG12 ILE 49 0.718 6.473 0.874 370 2HG1 ILE 49 HG11 ILE 49 1.214 5.521 2.268 371 1HG2 ILE 49 HG21 ILE 49 -0.736 5.601 -0.771 372 2HG2 ILE 49 HG22 ILE 49 -1.790 6.062 0.566 373 3HG2 ILE 49 HG23 ILE 49 -2.005 4.503 -0.231 374 1HD1 ILE 49 HD11 ILE 49 2.419 3.997 0.834 375 2HD1 ILE 49 HD12 ILE 49 2.950 5.655 0.550 376 3HD1 ILE 49 HD13 ILE 49 1.861 4.869 -0.594 377 H LEU 50 HN LEU 50 -1.250 2.252 3.806 378 HA LEU 50 HA LEU 50 -3.165 0.941 2.109 379 1HB LEU 50 HB2 LEU 50 -1.321 0.115 4.025 380 2HB LEU 50 HB1 LEU 50 -2.873 -0.189 4.777 381 HG LEU 50 HG LEU 50 -1.994 -2.160 3.588 382 1HD1 LEU 50 HD11 LEU 50 -4.426 -1.802 3.856 383 2HD1 LEU 50 HD12 LEU 50 -4.009 -2.747 2.427 384 3HD1 LEU 50 HD13 LEU 50 -4.457 -1.049 2.261 385 1HD2 LEU 50 HD21 LEU 50 -1.953 -2.158 1.133 386 2HD2 LEU 50 HD22 LEU 50 -0.774 -1.049 1.829 387 3HD2 LEU 50 HD23 LEU 50 -2.270 -0.423 1.141 388 H ASP 51 HN ASP 51 -3.618 3.516 3.892 389 HA ASP 51 HA ASP 51 -5.824 2.762 5.554 390 1HB ASP 51 HB2 ASP 51 -4.202 4.795 5.793 391 2HB ASP 51 HB1 ASP 51 -5.294 5.579 4.656 392 H LEU 52 HN LEU 52 -5.365 3.691 2.244 393 HA LEU 52 HA LEU 52 -8.164 4.356 1.851 394 1HB LEU 52 HB2 LEU 52 -5.745 4.251 0.079 395 2HB LEU 52 HB1 LEU 52 -7.354 4.390 -0.604 396 HG LEU 52 HG LEU 52 -7.697 6.491 0.624 397 1HD1 LEU 52 HD11 LEU 52 -6.432 6.425 2.549 398 2HD1 LEU 52 HD12 LEU 52 -5.465 7.491 1.528 399 3HD1 LEU 52 HD13 LEU 52 -5.009 5.797 1.719 400 1HD2 LEU 52 HD21 LEU 52 -5.696 7.714 -0.551 401 2HD2 LEU 52 HD22 LEU 52 -6.971 6.946 -1.498 402 3HD2 LEU 52 HD23 LEU 52 -5.429 6.123 -1.261 403 HA PRO 53 HA PRO 53 -9.437 0.089 1.373 404 1HB PRO 53 HB2 PRO 53 -11.334 1.355 -0.544 405 2HB PRO 53 HB1 PRO 53 -11.652 0.216 0.766 406 1HG PRO 53 HG2 PRO 53 -12.192 2.849 0.987 407 2HG PRO 53 HG1 PRO 53 -11.700 1.856 2.369 408 1HD PRO 53 HD2 PRO 53 -10.195 3.936 0.920 409 2HD PRO 53 HD1 PRO 53 -9.968 3.317 2.565 410 HA PRO 54 HA PRO 54 -7.522 -1.596 -2.217 411 1HB PRO 54 HB2 PRO 54 -10.201 -2.712 -2.938 412 2HB PRO 54 HB1 PRO 54 -8.626 -3.514 -2.878 413 1HG PRO 54 HG2 PRO 54 -10.396 -3.855 -0.919 414 2HG PRO 54 HG1 PRO 54 -8.664 -3.712 -0.570 415 1HD PRO 54 HD2 PRO 54 -10.850 -1.744 -0.138 416 2HD PRO 54 HD1 PRO 54 -9.345 -1.982 0.772 417 H GLN 55 HN GLN 55 -10.869 -0.821 -3.192 418 HA GLN 55 HA GLN 55 -9.978 0.120 -5.756 419 1HB GLN 55 HB2 GLN 55 -12.720 0.363 -4.514 420 2HB GLN 55 HB1 GLN 55 -12.316 0.590 -6.212 421 1HG GLN 55 HG2 GLN 55 -11.746 -1.726 -6.449 422 2HG GLN 55 HG1 GLN 55 -11.944 -1.995 -4.719 423 1HE2 GLN 55 HE21 GLN 55 -13.287 -3.010 -7.262 424 2HE2 GLN 55 HE22 GLN 55 -14.974 -2.865 -6.919 425 H GLU 56 HN GLU 56 -11.175 1.627 -2.801 426 HA GLU 56 HA GLU 56 -11.415 4.252 -3.718 427 1HB GLU 56 HB2 GLU 56 -11.818 2.949 -1.335 428 2HB GLU 56 HB1 GLU 56 -10.471 4.009 -0.956 429 1HG GLU 56 HG2 GLU 56 -11.781 5.797 -0.890 430 2HG GLU 56 HG1 GLU 56 -12.544 5.391 -2.426 431 H VAL 57 HN VAL 57 -8.581 2.415 -3.229 432 HA VAL 57 HA VAL 57 -6.903 4.763 -2.833 433 HB VAL 57 HB VAL 57 -6.379 2.733 -1.572 434 1HG1 VAL 57 HG11 VAL 57 -5.132 0.969 -3.157 435 2HG1 VAL 57 HG12 VAL 57 -6.399 1.521 -4.253 436 3HG1 VAL 57 HG13 VAL 57 -6.823 0.833 -2.687 437 1HG2 VAL 57 HG21 VAL 57 -4.357 3.651 -1.578 438 2HG2 VAL 57 HG22 VAL 57 -4.540 4.195 -3.245 439 3HG2 VAL 57 HG23 VAL 57 -3.944 2.570 -2.906 440 H PHE 58 HN PHE 58 -7.913 2.598 -5.326 441 HA PHE 58 HA PHE 58 -6.027 2.632 -7.254 442 1HB PHE 58 HB2 PHE 58 -8.991 3.059 -7.557 443 2HB PHE 58 HB1 PHE 58 -7.925 2.890 -8.940 444 HD1 PHE 58 HD1 PHE 58 -9.493 1.030 -9.503 445 HD2 PHE 58 HD2 PHE 58 -6.928 0.926 -6.112 446 HE1 PHE 58 HE1 PHE 58 -9.750 -1.408 -9.395 447 HE2 PHE 58 HE2 PHE 58 -7.184 -1.523 -5.996 448 HZ PHE 58 HZ PHE 58 -8.595 -2.677 -7.648 449 HA PRO 59 HA PRO 59 -7.370 7.068 -8.808 450 1HB PRO 59 HB2 PRO 59 -8.379 8.265 -6.301 451 2HB PRO 59 HB1 PRO 59 -9.024 8.378 -7.942 452 1HG PRO 59 HG2 PRO 59 -10.247 6.903 -6.081 453 2HG PRO 59 HG1 PRO 59 -10.170 6.372 -7.773 454 1HD PRO 59 HD2 PRO 59 -8.540 5.471 -5.425 455 2HD PRO 59 HD1 PRO 59 -9.251 4.512 -6.736 456 H LEU 60 HN LEU 60 -6.200 6.540 -5.534 457 HA LEU 60 HA LEU 60 -4.491 8.864 -5.561 458 1HB LEU 60 HB2 LEU 60 -5.257 8.291 -3.425 459 2HB LEU 60 HB1 LEU 60 -4.946 6.584 -3.667 460 HG LEU 60 HG LEU 60 -2.453 7.964 -3.824 461 1HD1 LEU 60 HD11 LEU 60 -3.784 9.679 -2.553 462 2HD1 LEU 60 HD12 LEU 60 -2.277 9.126 -1.832 463 3HD1 LEU 60 HD13 LEU 60 -3.824 8.516 -1.233 464 1HD2 LEU 60 HD21 LEU 60 -1.786 6.429 -2.181 465 2HD2 LEU 60 HD22 LEU 60 -3.038 5.581 -3.089 466 3HD2 LEU 60 HD23 LEU 60 -3.414 6.295 -1.521 467 H LEU 61 HN LEU 61 -4.006 5.359 -5.619 468 HA LEU 61 HA LEU 61 -1.224 5.420 -5.879 469 1HB LEU 61 HB2 LEU 61 -1.516 3.077 -6.770 470 2HB LEU 61 HB1 LEU 61 -2.188 3.401 -5.182 471 HG LEU 61 HG LEU 61 -4.375 3.871 -6.642 472 1HD1 LEU 61 HD11 LEU 61 -2.786 1.891 -8.254 473 2HD1 LEU 61 HD12 LEU 61 -3.375 3.466 -8.785 474 3HD1 LEU 61 HD13 LEU 61 -4.516 2.172 -8.421 475 1HD2 LEU 61 HD21 LEU 61 -4.826 2.322 -5.091 476 2HD2 LEU 61 HD22 LEU 61 -3.259 1.539 -5.270 477 3HD2 LEU 61 HD23 LEU 61 -4.565 1.171 -6.398 478 H GLU 62 HN GLU 62 -3.497 6.409 -8.170 479 HA GLU 62 HA GLU 62 -1.742 5.679 -10.407 480 1HB GLU 62 HB2 GLU 62 -3.608 6.175 -11.868 481 2HB GLU 62 HB1 GLU 62 -4.130 5.067 -10.607 482 1HG GLU 62 HG2 GLU 62 -5.643 6.498 -9.825 483 2HG GLU 62 HG1 GLU 62 -4.523 7.859 -9.894 484 H SER 63 HN SER 63 -2.460 8.273 -8.377 485 HA SER 63 HA SER 63 -1.563 10.220 -10.390 486 1HB SER 63 HB2 SER 63 -3.581 10.335 -8.337 487 2HB SER 63 HB1 SER 63 -2.375 11.591 -8.065 488 HG SER 63 HG SER 63 -3.592 11.139 -10.581 489 H ASP 64 HN ASP 64 0.475 10.825 -10.290 490 HA ASP 64 HA ASP 64 2.288 9.990 -8.349 491 1HB ASP 64 HB2 ASP 64 2.367 12.100 -10.478 492 2HB ASP 64 HB1 ASP 64 3.700 11.952 -9.337 493 H GLU 65 HN GLU 65 0.643 13.120 -8.704 494 HA GLU 65 HA GLU 65 1.934 14.388 -6.546 495 1HB GLU 65 HB2 GLU 65 0.023 15.100 -8.457 496 2HB GLU 65 HB1 GLU 65 -0.788 15.317 -6.912 497 1HG GLU 65 HG2 GLU 65 1.236 16.653 -6.189 498 2HG GLU 65 HG1 GLU 65 1.736 16.624 -7.880 499 H LEU 66 HN LEU 66 -1.213 12.737 -6.718 500 HA LEU 66 HA LEU 66 -1.927 13.091 -4.035 501 1HB LEU 66 HB2 LEU 66 -2.963 11.768 -6.300 502 2HB LEU 66 HB1 LEU 66 -2.879 10.566 -5.025 503 HG LEU 66 HG LEU 66 -5.066 11.662 -5.077 504 1HD1 LEU 66 HD11 LEU 66 -5.156 11.373 -2.876 505 2HD1 LEU 66 HD12 LEU 66 -4.211 12.836 -2.597 506 3HD1 LEU 66 HD13 LEU 66 -3.394 11.293 -2.864 507 1HD2 LEU 66 HD21 LEU 66 -5.392 13.902 -5.096 508 2HD2 LEU 66 HD22 LEU 66 -3.765 13.916 -5.778 509 3HD2 LEU 66 HD23 LEU 66 -4.000 14.219 -4.057 510 H PHE 67 HN PHE 67 0.338 10.971 -5.517 511 HA PHE 67 HA PHE 67 0.492 9.133 -3.305 512 1HB PHE 67 HB2 PHE 67 1.059 8.713 -5.840 513 2HB PHE 67 HB1 PHE 67 2.643 9.329 -5.373 514 HD1 PHE 67 HD1 PHE 67 4.210 7.753 -4.758 515 HD2 PHE 67 HD2 PHE 67 0.087 6.968 -4.062 516 HE1 PHE 67 HE1 PHE 67 4.788 5.550 -3.831 517 HE2 PHE 67 HE2 PHE 67 0.672 4.773 -3.136 518 HZ PHE 67 HZ PHE 67 3.004 4.057 -3.015 519 H GLU 68 HN GLU 68 2.687 11.579 -4.704 520 HA GLU 68 HA GLU 68 4.799 11.431 -2.994 521 1HB GLU 68 HB2 GLU 68 3.487 13.843 -4.230 522 2HB GLU 68 HB1 GLU 68 4.965 13.971 -3.287 523 1HG GLU 68 HG2 GLU 68 5.853 12.150 -4.897 524 2HG GLU 68 HG1 GLU 68 4.514 12.654 -5.926 525 H GLN 69 HN GLN 69 1.775 13.193 -2.401 526 HA GLN 69 HA GLN 69 2.449 14.339 0.055 527 1HB GLN 69 HB2 GLN 69 0.378 14.684 -1.472 528 2HB GLN 69 HB1 GLN 69 -0.328 13.371 -0.540 529 1HG GLN 69 HG2 GLN 69 -0.137 14.620 1.488 530 2HG GLN 69 HG1 GLN 69 0.781 15.886 0.676 531 1HE2 GLN 69 HE21 GLN 69 -0.514 16.545 -1.468 532 2HE2 GLN 69 HE22 GLN 69 -2.140 17.032 -1.149 533 H HIS 70 HN HIS 70 0.414 11.468 -0.435 534 HA HIS 70 HA HIS 70 0.421 10.685 2.272 535 1HB HIS 70 HB2 HIS 70 -0.474 9.526 -0.271 536 2HB HIS 70 HB1 HIS 70 0.013 8.322 0.916 537 HD2 HIS 70 HD2 HIS 70 -3.028 10.362 0.027 538 HE1 HIS 70 HE1 HIS 70 -3.582 9.168 4.064 539 HE2 HIS 70 HE2 HIS 70 -4.638 10.252 2.050 540 H TYR 71 HN TYR 71 2.333 9.484 -0.481 541 HA TYR 71 HA TYR 71 3.908 7.701 1.042 542 1HB TYR 71 HB2 TYR 71 3.963 7.202 -1.212 543 2HB TYR 71 HB1 TYR 71 4.052 8.888 -1.694 544 HD1 TYR 71 HD1 TYR 71 6.070 9.763 -2.417 545 HD2 TYR 71 HD2 TYR 71 6.087 6.222 -0.066 546 HE1 TYR 71 HE1 TYR 71 8.484 9.531 -2.800 547 HE2 TYR 71 HE2 TYR 71 8.506 5.979 -0.437 548 HH TYR 71 HH TYR 71 10.143 7.163 -2.697 549 H LYS 72 HN LYS 72 3.841 11.072 1.008 550 HA LYS 72 HA LYS 72 6.571 11.722 1.293 551 1HB LYS 72 HB2 LYS 72 4.327 13.203 1.064 552 2HB LYS 72 HB1 LYS 72 4.581 13.328 2.796 553 1HG LYS 72 HG2 LYS 72 6.955 13.803 1.126 554 2HG LYS 72 HG1 LYS 72 5.664 14.999 0.993 555 1HD LYS 72 HD2 LYS 72 5.887 15.681 3.167 556 2HD LYS 72 HD1 LYS 72 6.484 14.111 3.711 557 1HE LYS 72 HE2 LYS 72 8.246 15.798 3.800 558 2HE LYS 72 HE1 LYS 72 8.628 14.543 2.623 559 1HZ LYS 72 HZ1 LYS 72 7.233 16.543 1.280 560 2HZ LYS 72 HZ2 LYS 72 8.863 16.124 1.111 561 3HZ LYS 72 HZ3 LYS 72 8.406 17.318 2.218 562 H GLU 73 HN GLU 73 4.083 11.718 3.855 563 HA GLU 73 HA GLU 73 5.812 11.791 6.015 564 1HB GLU 73 HB2 GLU 73 3.006 10.901 5.613 565 2HB GLU 73 HB1 GLU 73 3.800 10.360 7.085 566 1HG GLU 73 HG2 GLU 73 4.355 12.743 7.571 567 2HG GLU 73 HG1 GLU 73 3.352 13.193 6.191 568 H ALA 74 HN ALA 74 4.581 9.013 4.229 569 HA ALA 74 HA ALA 74 5.781 7.051 5.888 570 1HB ALA 74 HB1 ALA 74 4.221 7.120 3.445 571 2HB ALA 74 HB2 ALA 74 4.294 5.888 4.706 572 3HB ALA 74 HB3 ALA 74 5.480 5.892 3.407 573 H SER 75 HN SER 75 6.876 8.945 3.168 574 HA SER 75 HA SER 75 9.063 7.378 2.379 575 1HB SER 75 HB2 SER 75 8.423 9.183 0.949 576 2HB SER 75 HB1 SER 75 8.596 10.363 2.247 577 HG SER 75 HG SER 75 10.694 8.875 1.043 578 H ALA 76 HN ALA 76 8.878 10.073 4.683 579 HA ALA 76 HA ALA 76 11.498 10.197 5.519 580 1HB ALA 76 HB1 ALA 76 8.896 10.729 6.871 581 2HB ALA 76 HB2 ALA 76 10.200 11.842 6.456 582 3HB ALA 76 HB3 ALA 76 10.375 10.754 7.832 583 H ALA 77 HN ALA 77 8.985 7.928 6.489 584 HA ALA 77 HA ALA 77 10.574 6.598 8.477 585 1HB ALA 77 HB1 ALA 77 8.070 5.668 7.081 586 2HB ALA 77 HB2 ALA 77 8.124 6.604 8.575 587 3HB ALA 77 HB3 ALA 77 8.771 4.962 8.536 588 H TYR 78 HN TYR 78 10.369 6.500 5.093 589 HA TYR 78 HA TYR 78 11.017 3.858 4.461 590 1HB TYR 78 HB2 TYR 78 10.418 5.856 2.915 591 2HB TYR 78 HB1 TYR 78 12.131 6.239 2.982 592 HD1 TYR 78 HD1 TYR 78 10.183 5.336 0.640 593 HD2 TYR 78 HD2 TYR 78 13.196 3.396 2.927 594 HE1 TYR 78 HE1 TYR 78 10.595 3.781 -1.226 595 HE2 TYR 78 HE2 TYR 78 13.611 1.841 1.085 596 HH TYR 78 HH TYR 78 13.319 1.743 -1.333 597 H GLU 79 HN GLU 79 13.121 6.671 4.966 598 HA GLU 79 HA GLU 79 15.564 5.297 4.735 599 1HB GLU 79 HB2 GLU 79 14.679 7.959 5.630 600 2HB GLU 79 HB1 GLU 79 16.199 7.412 6.323 601 1HG GLU 79 HG2 GLU 79 16.071 6.945 3.467 602 2HG GLU 79 HG1 GLU 79 15.850 8.644 3.880 603 H SER 80 HN SER 80 13.734 6.263 7.635 604 HA SER 80 HA SER 80 15.531 5.318 9.520 605 1HB SER 80 HB2 SER 80 12.521 5.356 9.786 606 2HB SER 80 HB1 SER 80 13.696 5.378 11.103 607 HG SER 80 HG SER 80 12.656 7.451 10.012 608 H PHE 81 HN PHE 81 12.716 3.656 8.113 609 HA PHE 81 HA PHE 81 13.153 1.221 9.486 610 1HB PHE 81 HB2 PHE 81 11.496 2.033 7.126 611 2HB PHE 81 HB1 PHE 81 11.664 0.330 7.535 612 HD1 PHE 81 HD1 PHE 81 11.432 0.032 10.281 613 HD2 PHE 81 HD2 PHE 81 9.536 2.946 7.830 614 HE1 PHE 81 HE1 PHE 81 9.635 0.256 11.949 615 HE2 PHE 81 HE2 PHE 81 7.736 3.178 9.492 616 HZ PHE 81 HZ PHE 81 7.782 1.832 11.553 617 H LYS 82 HN LYS 82 14.282 2.496 6.421 618 HA LYS 82 HA LYS 82 15.341 -0.012 5.509 619 1HB LYS 82 HB2 LYS 82 15.288 2.773 4.503 620 2HB LYS 82 HB1 LYS 82 16.602 1.755 3.939 621 1HG LYS 82 HG2 LYS 82 13.674 1.096 3.714 622 2HG LYS 82 HG1 LYS 82 14.697 1.721 2.420 623 1HD LYS 82 HD2 LYS 82 15.498 -0.768 3.864 624 2HD LYS 82 HD1 LYS 82 14.258 -0.847 2.616 625 1HE LYS 82 HE2 LYS 82 16.357 -1.333 1.597 626 2HE LYS 82 HE1 LYS 82 15.863 0.274 1.064 627 1HZ LYS 82 HZ1 LYS 82 17.571 0.081 3.432 628 2HZ LYS 82 HZ2 LYS 82 17.522 1.270 2.229 629 3HZ LYS 82 HZ3 LYS 82 18.282 -0.209 1.925 630 H LYS 83 HN LYS 83 16.628 2.862 7.081 631 HA LYS 83 HA LYS 83 19.346 1.873 6.959 632 1HB LYS 83 HB2 LYS 83 18.182 4.313 8.306 633 2HB LYS 83 HB1 LYS 83 19.898 3.946 8.189 634 1HG LYS 83 HG2 LYS 83 18.710 3.839 5.587 635 2HG LYS 83 HG1 LYS 83 18.309 5.369 6.371 636 1HD LYS 83 HD2 LYS 83 20.317 6.020 5.587 637 2HD LYS 83 HD1 LYS 83 20.936 5.151 6.993 638 1HE LYS 83 HE2 LYS 83 20.455 3.659 4.456 639 2HE LYS 83 HE1 LYS 83 21.885 4.682 4.591 640 1HZ LYS 83 HZ1 LYS 83 22.552 2.568 5.297 641 2HZ LYS 83 HZ2 LYS 83 21.164 2.328 6.231 642 3HZ LYS 83 HZ3 LYS 83 22.336 3.440 6.729 643 H GLU 84 HN GLU 84 16.977 2.601 9.518 644 HA GLU 84 HA GLU 84 18.659 1.419 11.538 645 1HB GLU 84 HB2 GLU 84 17.053 3.360 11.902 646 2HB GLU 84 HB1 GLU 84 15.755 2.175 11.836 647 1HG GLU 84 HG2 GLU 84 16.033 2.093 14.051 648 2HG GLU 84 HG1 GLU 84 17.384 1.028 13.661 649 H GLN 85 HN GLN 85 17.999 -0.357 9.407 650 HA GLN 85 HA GLN 85 16.002 -2.180 10.432 651 1HB GLN 85 HB2 GLN 85 16.599 -3.559 8.456 652 2HB GLN 85 HB1 GLN 85 16.131 -1.919 8.030 653 1HG GLN 85 HG2 GLN 85 17.967 -1.916 6.777 654 2HG GLN 85 HG1 GLN 85 18.837 -1.686 8.291 655 1HE2 GLN 85 HE21 GLN 85 20.668 -2.764 7.797 656 2HE2 GLN 85 HE22 GLN 85 20.737 -4.457 7.462 657 H GLU 86 HN GLU 86 17.643 -2.010 12.419 658 HA GLU 86 HA GLU 86 19.864 -3.829 12.262 659 1HB GLU 86 HB2 GLU 86 18.827 -1.893 14.159 660 2HB GLU 86 HB1 GLU 86 19.306 -3.382 14.962 661 1HG GLU 86 HG2 GLU 86 21.141 -2.080 13.000 662 2HG GLU 86 HG1 GLU 86 21.025 -1.471 14.650 663 H GLN 87 HN GLN 87 16.976 -4.713 11.805 664 HA GLN 87 HA GLN 87 16.497 -6.589 13.940 665 1HB GLN 87 HB2 GLN 87 14.671 -5.406 12.711 666 2HB GLN 87 HB1 GLN 87 15.098 -6.323 11.273 667 1HG GLN 87 HG2 GLN 87 14.433 -8.362 12.266 668 2HG GLN 87 HG1 GLN 87 14.298 -7.619 13.859 669 1HE2 GLN 87 HE21 GLN 87 12.530 -6.306 14.320 670 2HE2 GLN 87 HE22 GLN 87 11.098 -6.322 13.354 671 H GLN 88 HN GLN 88 16.656 -7.098 10.411 672 HA GLN 88 HA GLN 88 17.889 -9.707 10.919 673 1HB GLN 88 HB2 GLN 88 17.249 -10.282 8.643 674 2HB GLN 88 HB1 GLN 88 15.858 -9.679 9.533 675 1HG GLN 88 HG2 GLN 88 15.491 -8.206 7.932 676 2HG GLN 88 HG1 GLN 88 17.048 -7.457 8.274 677 1HE2 GLN 88 HE21 GLN 88 15.270 -9.544 6.184 678 2HE2 GLN 88 HE22 GLN 88 16.489 -9.728 4.974 679 H THR 89 HN THR 89 19.825 -10.329 9.984 680 HA THR 89 HA THR 89 21.417 -8.139 8.839 681 HB THR 89 HB THR 89 23.389 -9.278 9.763 682 HG1 THR 89 HG1 THR 89 21.707 -11.337 10.003 683 1HG2 THR 89 HG21 THR 89 21.227 -8.843 11.802 684 2HG2 THR 89 HG22 THR 89 22.396 -7.658 11.218 685 3HG2 THR 89 HG23 THR 89 22.940 -9.040 12.170 686 H GLU 90 HN GLU 90 23.558 -10.070 8.161 687 HA GLU 90 HA GLU 90 22.572 -10.777 5.555 688 1HB GLU 90 HB2 GLU 90 25.270 -11.116 6.867 689 2HB GLU 90 HB1 GLU 90 24.927 -11.595 5.211 690 1HG GLU 90 HG2 GLU 90 24.103 -8.874 5.692 691 2HG GLU 90 HG1 GLU 90 25.801 -9.111 6.106 692 H GLN 91 HN GLN 91 22.447 -12.835 4.662 693 HA GLN 91 HA GLN 91 21.947 -14.953 6.603 694 1HB GLN 91 HB2 GLN 91 20.446 -14.236 4.552 695 2HB GLN 91 HB1 GLN 91 21.524 -15.304 3.665 696 1HG GLN 91 HG2 GLN 91 20.438 -17.089 4.383 697 2HG GLN 91 HG1 GLN 91 20.646 -16.596 6.063 698 1HE2 GLN 91 HE21 GLN 91 18.734 -15.612 3.233 699 2HE2 GLN 91 HE22 GLN 91 17.240 -15.451 4.086 700 H ALA 92 HN ALA 92 22.975 -16.939 6.591 701 HA ALA 92 HA ALA 92 25.678 -16.945 5.685 702 1HB ALA 92 HB1 ALA 92 24.228 -18.316 7.607 703 2HB ALA 92 HB2 ALA 92 25.925 -18.564 7.193 704 3HB ALA 92 HB3 ALA 92 24.679 -19.558 6.438 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -14.394 6.537 -16.863 2 2H GLY 1 HT2 GLY 1 -14.631 5.329 -15.704 3 3H GLY 1 HT3 GLY 1 -13.070 5.885 -16.038 4 1HA GLY 1 HA1 GLY 1 -13.271 7.723 -14.781 5 2HA GLY 1 HA2 GLY 1 -14.964 7.918 -15.203 6 HA PRO 2 HA PRO 2 -14.286 5.121 -11.238 7 1HB PRO 2 HB2 PRO 2 -12.958 6.638 -9.400 8 2HB PRO 2 HB1 PRO 2 -12.162 5.455 -10.444 9 1HG PRO 2 HG2 PRO 2 -12.357 8.425 -10.749 10 2HG PRO 2 HG1 PRO 2 -10.964 7.361 -11.017 11 1HD PRO 2 HD2 PRO 2 -12.463 8.308 -13.051 12 2HD PRO 2 HD1 PRO 2 -11.709 6.702 -13.101 13 H LEU 3 HN LEU 3 -14.748 8.576 -11.561 14 HA LEU 3 HA LEU 3 -16.492 8.766 -9.273 15 1HB LEU 3 HB2 LEU 3 -14.992 10.576 -10.683 16 2HB LEU 3 HB1 LEU 3 -16.610 10.921 -11.264 17 HG LEU 3 HG LEU 3 -15.724 10.955 -8.377 18 1HD1 LEU 3 HD11 LEU 3 -15.440 12.889 -10.387 19 2HD1 LEU 3 HD12 LEU 3 -15.220 13.095 -8.650 20 3HD1 LEU 3 HD13 LEU 3 -16.790 13.420 -9.384 21 1HD2 LEU 3 HD21 LEU 3 -18.136 12.215 -8.485 22 2HD2 LEU 3 HD22 LEU 3 -17.892 10.540 -7.990 23 3HD2 LEU 3 HD23 LEU 3 -18.363 10.910 -9.648 24 H GLY 4 HN GLY 4 -17.499 6.766 -10.725 25 1HA GLY 4 HA2 GLY 4 -19.731 7.909 -12.269 26 2HA GLY 4 HA1 GLY 4 -19.134 6.264 -12.427 27 H SER 5 HN SER 5 -20.248 8.320 -9.735 28 HA SER 5 HA SER 5 -21.435 6.110 -8.376 29 1HB SER 5 HB2 SER 5 -21.754 9.084 -7.917 30 2HB SER 5 HB1 SER 5 -22.286 7.819 -6.810 31 HG SER 5 HG SER 5 -20.178 7.263 -6.442 32 HA PRO 6 HA PRO 6 -25.167 6.346 -10.930 33 1HB PRO 6 HB2 PRO 6 -26.326 4.105 -9.916 34 2HB PRO 6 HB1 PRO 6 -25.070 4.061 -11.160 35 1HG PRO 6 HG2 PRO 6 -24.827 3.645 -8.204 36 2HG PRO 6 HG1 PRO 6 -24.076 2.735 -9.528 37 1HD PRO 6 HD2 PRO 6 -22.735 4.613 -8.121 38 2HD PRO 6 HD1 PRO 6 -22.421 4.312 -9.841 39 H ARG 7 HN ARG 7 -27.571 6.134 -10.324 40 HA ARG 7 HA ARG 7 -27.982 7.700 -7.896 41 1HB ARG 7 HB2 ARG 7 -28.940 8.276 -10.229 42 2HB ARG 7 HB1 ARG 7 -30.121 7.017 -9.893 43 1HG ARG 7 HG2 ARG 7 -31.090 8.205 -8.160 44 2HG ARG 7 HG1 ARG 7 -29.664 9.215 -7.920 45 1HD ARG 7 HD2 ARG 7 -31.599 10.383 -8.985 46 2HD ARG 7 HD1 ARG 7 -30.105 10.443 -9.916 47 HE ARG 7 HE ARG 7 -31.308 8.327 -11.000 48 1HH1 ARG 7 HH11 ARG 7 -32.548 11.504 -10.237 49 2HH1 ARG 7 HH12 ARG 7 -33.724 11.482 -11.507 50 1HH2 ARG 7 HH21 ARG 7 -32.849 8.307 -12.673 51 2HH2 ARG 7 HH22 ARG 7 -33.893 9.673 -12.891 52 H ASN 8 HN ASN 8 -27.379 4.885 -7.677 53 HA ASN 8 HA ASN 8 -29.923 3.777 -6.724 54 1HB ASN 8 HB2 ASN 8 -27.482 2.617 -7.878 55 2HB ASN 8 HB1 ASN 8 -28.095 1.747 -6.474 56 1HD2 ASN 8 HD21 ASN 8 -30.666 1.684 -6.608 57 2HD2 ASN 8 HD22 ASN 8 -31.254 1.031 -8.096 58 H ALA 9 HN ALA 9 -30.291 3.459 -4.608 59 HA ALA 9 HA ALA 9 -28.600 4.645 -2.675 60 1HB ALA 9 HB1 ALA 9 -30.269 4.235 -1.165 61 2HB ALA 9 HB2 ALA 9 -30.658 2.660 -1.855 62 3HB ALA 9 HB3 ALA 9 -31.186 4.133 -2.668 63 H ASN 10 HN ASN 10 -29.282 1.265 -3.509 64 HA ASN 10 HA ASN 10 -27.061 0.439 -1.770 65 1HB ASN 10 HB2 ASN 10 -29.668 -0.663 -2.282 66 2HB ASN 10 HB1 ASN 10 -28.436 -1.838 -2.726 67 1HD2 ASN 10 HD21 ASN 10 -26.561 -1.820 -1.013 68 2HD2 ASN 10 HD22 ASN 10 -27.101 -1.986 0.620 69 H ASP 11 HN ASP 11 -25.232 0.469 -2.922 70 HA ASP 11 HA ASP 11 -25.214 -0.333 -5.712 71 1HB ASP 11 HB2 ASP 11 -23.774 1.525 -4.353 72 2HB ASP 11 HB1 ASP 11 -22.645 0.172 -4.336 73 H ASN 12 HN ASN 12 -24.733 -2.308 -6.416 74 HA ASN 12 HA ASN 12 -23.895 -4.321 -4.487 75 1HB ASN 12 HB2 ASN 12 -25.345 -4.308 -7.028 76 2HB ASN 12 HB1 ASN 12 -24.166 -5.612 -6.914 77 1HD2 ASN 12 HD21 ASN 12 -27.266 -4.661 -6.188 78 2HD2 ASN 12 HD22 ASN 12 -27.658 -5.878 -5.026 79 H ASN 13 HN ASN 13 -21.777 -4.521 -4.152 80 HA ASN 13 HA ASN 13 -19.849 -3.799 -6.164 81 1HB ASN 13 HB2 ASN 13 -19.847 -4.029 -3.360 82 2HB ASN 13 HB1 ASN 13 -18.701 -5.234 -3.934 83 1HD2 ASN 13 HD21 ASN 13 -17.515 -4.145 -6.033 84 2HD2 ASN 13 HD22 ASN 13 -16.717 -2.669 -5.621 85 H GLN 14 HN GLN 14 -18.634 -5.114 -7.419 86 HA GLN 14 HA GLN 14 -19.466 -7.886 -7.614 87 1HB GLN 14 HB2 GLN 14 -17.867 -6.030 -9.341 88 2HB GLN 14 HB1 GLN 14 -17.761 -7.767 -9.595 89 1HG GLN 14 HG2 GLN 14 -19.950 -7.936 -10.292 90 2HG GLN 14 HG1 GLN 14 -20.434 -6.448 -9.481 91 1HE2 GLN 14 HE21 GLN 14 -18.827 -7.810 -12.260 92 2HE2 GLN 14 HE22 GLN 14 -18.885 -6.388 -13.240 93 H PHE 15 HN PHE 15 -18.550 -8.815 -5.791 94 HA PHE 15 HA PHE 15 -15.724 -8.588 -5.260 95 1HB PHE 15 HB2 PHE 15 -18.041 -9.961 -3.986 96 2HB PHE 15 HB1 PHE 15 -16.434 -10.594 -3.654 97 HD1 PHE 15 HD1 PHE 15 -15.253 -9.730 -1.882 98 HD2 PHE 15 HD2 PHE 15 -18.281 -7.355 -3.699 99 HE1 PHE 15 HE1 PHE 15 -14.926 -8.004 -0.160 100 HE2 PHE 15 HE2 PHE 15 -17.957 -5.622 -1.980 101 HZ PHE 15 HZ PHE 15 -16.278 -5.946 -0.209 102 H TYR 16 HN TYR 16 -16.462 -9.661 -7.869 103 HA TYR 16 HA TYR 16 -15.714 -12.473 -7.718 104 1HB TYR 16 HB2 TYR 16 -17.547 -11.324 -9.262 105 2HB TYR 16 HB1 TYR 16 -16.159 -11.071 -10.315 106 HD1 TYR 16 HD1 TYR 16 -15.718 -12.691 -11.892 107 HD2 TYR 16 HD2 TYR 16 -17.721 -13.816 -8.312 108 HE1 TYR 16 HE1 TYR 16 -15.948 -14.982 -12.751 109 HE2 TYR 16 HE2 TYR 16 -17.958 -16.113 -9.160 110 HH TYR 16 HH TYR 16 -18.017 -17.236 -11.446 111 H GLN 17 HN GLN 17 -14.700 -9.613 -9.588 112 HA GLN 17 HA GLN 17 -12.207 -10.797 -10.334 113 1HB GLN 17 HB2 GLN 17 -13.333 -8.014 -10.584 114 2HB GLN 17 HB1 GLN 17 -11.711 -8.423 -11.126 115 1HG GLN 17 HG2 GLN 17 -12.474 -9.300 -13.011 116 2HG GLN 17 HG1 GLN 17 -13.649 -10.294 -12.151 117 1HE2 GLN 17 HE21 GLN 17 -13.721 -8.594 -14.653 118 2HE2 GLN 17 HE22 GLN 17 -15.132 -7.617 -14.456 119 H GLN 18 HN GLN 18 -11.193 -11.352 -8.397 120 HA GLN 18 HA GLN 18 -10.677 -9.472 -6.319 121 1HB GLN 18 HB2 GLN 18 -10.717 -12.064 -6.237 122 2HB GLN 18 HB1 GLN 18 -9.053 -11.951 -6.788 123 1HG GLN 18 HG2 GLN 18 -8.307 -11.100 -4.813 124 2HG GLN 18 HG1 GLN 18 -9.848 -10.328 -4.437 125 1HE2 GLN 18 HE21 GLN 18 -11.452 -11.501 -3.429 126 2HE2 GLN 18 HE22 GLN 18 -11.164 -13.038 -2.695 127 H LYS 19 HN LYS 19 -8.955 -10.541 -9.176 128 HA LYS 19 HA LYS 19 -6.429 -9.493 -8.571 129 1HB LYS 19 HB2 LYS 19 -6.085 -9.531 -11.061 130 2HB LYS 19 HB1 LYS 19 -6.622 -11.054 -10.364 131 1HG LYS 19 HG2 LYS 19 -8.779 -10.828 -11.232 132 2HG LYS 19 HG1 LYS 19 -8.567 -9.106 -11.550 133 1HD LYS 19 HD2 LYS 19 -6.736 -11.004 -12.924 134 2HD LYS 19 HD1 LYS 19 -8.411 -10.933 -13.475 135 1HE LYS 19 HE2 LYS 19 -7.021 -9.409 -14.763 136 2HE LYS 19 HE1 LYS 19 -8.198 -8.516 -13.803 137 1HZ LYS 19 HZ1 LYS 19 -5.411 -8.968 -12.903 138 2HZ LYS 19 HZ2 LYS 19 -6.539 -7.876 -12.277 139 3HZ LYS 19 HZ3 LYS 19 -5.870 -7.614 -13.808 140 H GLN 20 HN GLN 20 -9.259 -8.052 -10.019 141 HA GLN 20 HA GLN 20 -8.203 -5.696 -11.017 142 1HB GLN 20 HB2 GLN 20 -10.792 -6.736 -10.458 143 2HB GLN 20 HB1 GLN 20 -10.724 -5.099 -9.821 144 1HG GLN 20 HG2 GLN 20 -10.754 -4.185 -11.852 145 2HG GLN 20 HG1 GLN 20 -9.582 -5.337 -12.488 146 1HE2 GLN 20 HE21 GLN 20 -10.285 -6.755 -13.919 147 2HE2 GLN 20 HE22 GLN 20 -11.937 -7.180 -14.199 148 H ARG 21 HN ARG 21 -9.545 -6.240 -7.755 149 HA ARG 21 HA ARG 21 -9.077 -3.715 -6.706 150 1HB ARG 21 HB2 ARG 21 -9.423 -6.427 -5.578 151 2HB ARG 21 HB1 ARG 21 -8.699 -5.229 -4.517 152 1HG ARG 21 HG2 ARG 21 -10.854 -4.818 -3.994 153 2HG ARG 21 HG1 ARG 21 -10.774 -3.803 -5.436 154 1HD ARG 21 HD2 ARG 21 -12.765 -5.253 -5.419 155 2HD ARG 21 HD1 ARG 21 -11.701 -5.580 -6.784 156 HE ARG 21 HE ARG 21 -11.154 -7.639 -5.853 157 1HH1 ARG 21 HH11 ARG 21 -13.264 -5.844 -3.720 158 2HH1 ARG 21 HH12 ARG 21 -13.652 -7.225 -2.751 159 1HH2 ARG 21 HH21 ARG 21 -11.661 -9.440 -4.568 160 2HH2 ARG 21 HH22 ARG 21 -12.747 -9.257 -3.230 161 H GLN 22 HN GLN 22 -7.013 -6.580 -6.211 162 HA GLN 22 HA GLN 22 -4.862 -5.138 -5.118 163 1HB GLN 22 HB2 GLN 22 -5.477 -7.799 -5.462 164 2HB GLN 22 HB1 GLN 22 -4.104 -7.581 -6.540 165 1HG GLN 22 HG2 GLN 22 -3.120 -6.345 -4.412 166 2HG GLN 22 HG1 GLN 22 -4.248 -7.419 -3.589 167 1HE2 GLN 22 HE21 GLN 22 -2.091 -8.133 -2.729 168 2HE2 GLN 22 HE22 GLN 22 -1.289 -9.403 -3.583 169 H ALA 23 HN ALA 23 -5.908 -5.520 -8.370 170 HA ALA 23 HA ALA 23 -3.531 -5.347 -9.799 171 1HB ALA 23 HB1 ALA 23 -5.789 -3.740 -10.832 172 2HB ALA 23 HB2 ALA 23 -6.107 -5.445 -10.530 173 3HB ALA 23 HB3 ALA 23 -4.813 -4.974 -11.627 174 H LEU 24 HN LEU 24 -5.675 -2.548 -9.277 175 HA LEU 24 HA LEU 24 -3.645 -0.663 -9.802 176 1HB LEU 24 HB2 LEU 24 -6.412 -0.617 -8.753 177 2HB LEU 24 HB1 LEU 24 -5.440 0.811 -8.481 178 HG LEU 24 HG LEU 24 -6.788 1.069 -10.482 179 1HD1 LEU 24 HD11 LEU 24 -3.924 1.213 -10.438 180 2HD1 LEU 24 HD12 LEU 24 -5.081 2.266 -11.248 181 3HD1 LEU 24 HD13 LEU 24 -4.481 0.824 -12.064 182 1HD2 LEU 24 HD21 LEU 24 -5.402 -1.438 -11.408 183 2HD2 LEU 24 HD22 LEU 24 -6.435 -0.418 -12.413 184 3HD2 LEU 24 HD23 LEU 24 -7.113 -1.261 -11.019 185 H GLY 25 HN GLY 25 -4.846 -2.167 -6.854 186 1HA GLY 25 HA2 GLY 25 -3.601 -0.474 -4.984 187 2HA GLY 25 HA1 GLY 25 -4.022 -2.160 -4.705 188 H GLU 26 HN GLU 26 -2.412 -3.286 -6.784 189 HA GLU 26 HA GLU 26 0.024 -3.631 -5.458 190 1HB GLU 26 HB2 GLU 26 -1.135 -4.943 -7.478 191 2HB GLU 26 HB1 GLU 26 -0.037 -3.949 -8.422 192 1HG GLU 26 HG2 GLU 26 1.283 -5.759 -8.098 193 2HG GLU 26 HG1 GLU 26 1.716 -4.832 -6.664 194 H GLN 27 HN GLN 27 -1.078 -1.240 -7.742 195 HA GLN 27 HA GLN 27 1.369 -0.210 -8.624 196 1HB GLN 27 HB2 GLN 27 -1.048 1.477 -8.020 197 2HB GLN 27 HB1 GLN 27 0.196 1.769 -9.227 198 1HG GLN 27 HG2 GLN 27 -1.129 -0.768 -9.641 199 2HG GLN 27 HG1 GLN 27 -2.263 0.579 -9.623 200 1HE2 GLN 27 HE21 GLN 27 0.528 -0.796 -11.198 201 2HE2 GLN 27 HE22 GLN 27 0.406 0.129 -12.652 202 H LEU 28 HN LEU 28 -0.465 0.272 -5.689 203 HA LEU 28 HA LEU 28 0.846 2.475 -4.600 204 1HB LEU 28 HB2 LEU 28 -1.100 0.707 -3.763 205 2HB LEU 28 HB1 LEU 28 0.206 0.402 -2.633 206 HG LEU 28 HG LEU 28 0.245 2.887 -2.175 207 1HD1 LEU 28 HD11 LEU 28 -0.818 3.796 -4.057 208 2HD1 LEU 28 HD12 LEU 28 -1.955 4.012 -2.726 209 3HD1 LEU 28 HD13 LEU 28 -2.204 2.721 -3.895 210 1HD2 LEU 28 HD21 LEU 28 -0.771 1.979 -0.390 211 2HD2 LEU 28 HD22 LEU 28 -1.787 0.932 -1.378 212 3HD2 LEU 28 HD23 LEU 28 -2.255 2.611 -1.105 213 H TYR 29 HN TYR 29 1.608 -0.974 -4.214 214 HA TYR 29 HA TYR 29 3.918 -0.544 -2.622 215 1HB TYR 29 HB2 TYR 29 2.752 -2.660 -2.541 216 2HB TYR 29 HB1 TYR 29 3.055 -2.938 -4.252 217 HD1 TYR 29 HD1 TYR 29 4.568 -4.638 -4.591 218 HD2 TYR 29 HD2 TYR 29 5.196 -1.983 -1.323 219 HE1 TYR 29 HE1 TYR 29 6.647 -5.826 -4.031 220 HE2 TYR 29 HE2 TYR 29 7.278 -3.169 -0.755 221 HH TYR 29 HH TYR 29 8.954 -4.594 -1.900 222 H LYS 30 HN LYS 30 3.560 -1.337 -6.088 223 HA LYS 30 HA LYS 30 6.302 -1.417 -6.666 224 1HB LYS 30 HB2 LYS 30 5.685 -1.305 -8.976 225 2HB LYS 30 HB1 LYS 30 4.481 -2.270 -8.137 226 1HG LYS 30 HG2 LYS 30 3.016 -0.285 -8.050 227 2HG LYS 30 HG1 LYS 30 4.206 0.589 -9.015 228 1HD LYS 30 HD2 LYS 30 2.829 -1.958 -9.863 229 2HD LYS 30 HD1 LYS 30 2.364 -0.335 -10.381 230 1HE LYS 30 HE2 LYS 30 5.042 -0.368 -10.929 231 2HE LYS 30 HE1 LYS 30 4.579 -2.037 -11.264 232 1HZ LYS 30 HZ1 LYS 30 4.375 -0.087 -13.043 233 2HZ LYS 30 HZ2 LYS 30 2.839 0.029 -12.343 234 3HZ LYS 30 HZ3 LYS 30 3.343 -1.429 -13.033 235 H LYS 31 HN LYS 31 4.019 1.279 -6.680 236 HA LYS 31 HA LYS 31 5.693 3.174 -7.900 237 1HB LYS 31 HB2 LYS 31 3.198 3.352 -7.405 238 2HB LYS 31 HB1 LYS 31 3.659 3.827 -5.777 239 1HG LYS 31 HG2 LYS 31 4.449 5.863 -6.443 240 2HG LYS 31 HG1 LYS 31 4.879 5.286 -8.057 241 1HD LYS 31 HD2 LYS 31 2.003 5.375 -7.271 242 2HD LYS 31 HD1 LYS 31 2.820 6.880 -7.701 243 1HE LYS 31 HE2 LYS 31 3.046 4.483 -9.474 244 2HE LYS 31 HE1 LYS 31 1.605 5.498 -9.541 245 1HZ LYS 31 HZ1 LYS 31 4.353 6.573 -9.823 246 2HZ LYS 31 HZ2 LYS 31 2.895 7.361 -10.160 247 3HZ LYS 31 HZ3 LYS 31 3.413 6.085 -11.144 248 H VAL 32 HN VAL 32 5.395 2.129 -4.556 249 HA VAL 32 HA VAL 32 7.285 4.121 -3.619 250 HB VAL 32 HB VAL 32 5.550 3.412 -2.074 251 1HG1 VAL 32 HG11 VAL 32 6.722 0.663 -2.407 252 2HG1 VAL 32 HG12 VAL 32 5.087 1.193 -2.793 253 3HG1 VAL 32 HG13 VAL 32 5.615 1.111 -1.113 254 1HG2 VAL 32 HG21 VAL 32 6.935 2.883 -0.138 255 2HG2 VAL 32 HG22 VAL 32 7.692 4.110 -1.151 256 3HG2 VAL 32 HG23 VAL 32 8.269 2.444 -1.203 257 H SER 33 HN SER 33 7.234 0.639 -4.309 258 HA SER 33 HA SER 33 9.997 0.264 -3.646 259 1HB SER 33 HB2 SER 33 7.808 -1.405 -4.044 260 2HB SER 33 HB1 SER 33 8.849 -1.741 -5.425 261 HG SER 33 HG SER 33 9.561 -1.860 -2.680 262 H ALA 34 HN ALA 34 8.705 2.003 -6.049 263 HA ALA 34 HA ALA 34 9.883 1.072 -8.412 264 1HB ALA 34 HB1 ALA 34 9.372 3.166 -9.351 265 2HB ALA 34 HB2 ALA 34 9.443 3.976 -7.786 266 3HB ALA 34 HB3 ALA 34 8.116 2.871 -8.149 267 H LYS 35 HN LYS 35 11.365 2.300 -5.633 268 HA LYS 35 HA LYS 35 13.741 3.168 -7.122 269 1HB LYS 35 HB2 LYS 35 12.926 3.587 -4.243 270 2HB LYS 35 HB1 LYS 35 14.481 4.077 -4.901 271 1HG LYS 35 HG2 LYS 35 12.015 5.028 -6.258 272 2HG LYS 35 HG1 LYS 35 12.469 5.758 -4.715 273 1HD LYS 35 HD2 LYS 35 14.460 5.475 -6.942 274 2HD LYS 35 HD1 LYS 35 13.339 6.838 -6.891 275 1HE LYS 35 HE2 LYS 35 15.341 6.072 -4.765 276 2HE LYS 35 HE1 LYS 35 15.453 7.447 -5.865 277 1HZ LYS 35 HZ1 LYS 35 13.263 8.174 -4.837 278 2HZ LYS 35 HZ2 LYS 35 14.645 8.323 -3.875 279 3HZ LYS 35 HZ3 LYS 35 13.574 7.042 -3.619 280 H THR 36 HN THR 36 12.486 0.519 -5.482 281 HA THR 36 HA THR 36 14.705 -1.104 -5.806 282 HB THR 36 HB THR 36 15.901 0.101 -4.141 283 HG1 THR 36 HG1 THR 36 16.247 -1.491 -2.654 284 1HG2 THR 36 HG21 THR 36 14.467 1.411 -2.928 285 2HG2 THR 36 HG22 THR 36 14.873 0.156 -1.757 286 3HG2 THR 36 HG23 THR 36 13.338 0.090 -2.624 287 H SER 37 HN SER 37 14.307 -3.255 -5.160 288 HA SER 37 HA SER 37 11.507 -3.810 -4.649 289 1HB SER 37 HB2 SER 37 13.011 -5.027 -6.351 290 2HB SER 37 HB1 SER 37 13.668 -5.884 -4.956 291 HG SER 37 HG SER 37 11.570 -6.564 -6.272 292 H ASN 38 HN ASN 38 12.723 -2.613 -2.478 293 HA ASN 38 HA ASN 38 13.487 -4.600 -0.539 294 1HB ASN 38 HB2 ASN 38 13.416 -1.689 -0.693 295 2HB ASN 38 HB1 ASN 38 12.868 -2.296 0.862 296 1HD2 ASN 38 HD21 ASN 38 15.191 -0.780 0.462 297 2HD2 ASN 38 HD22 ASN 38 16.549 -1.760 0.883 298 H GLU 39 HN GLU 39 11.886 -6.003 -0.011 299 HA GLU 39 HA GLU 39 9.147 -5.373 0.060 300 1HB GLU 39 HB2 GLU 39 10.793 -7.672 0.516 301 2HB GLU 39 HB1 GLU 39 9.605 -7.551 1.808 302 1HG GLU 39 HG2 GLU 39 8.409 -7.069 -0.775 303 2HG GLU 39 HG1 GLU 39 9.228 -8.630 -0.719 304 H GLU 40 HN GLU 40 11.657 -5.063 2.451 305 HA GLU 40 HA GLU 40 9.811 -4.729 4.648 306 1HB GLU 40 HB2 GLU 40 12.701 -4.986 4.319 307 2HB GLU 40 HB1 GLU 40 12.254 -3.784 5.523 308 1HG GLU 40 HG2 GLU 40 10.722 -6.229 5.789 309 2HG GLU 40 HG1 GLU 40 12.459 -6.502 5.917 310 H ALA 41 HN ALA 41 11.434 -2.712 2.355 311 HA ALA 41 HA ALA 41 11.097 -0.275 3.848 312 1HB ALA 41 HB1 ALA 41 12.504 0.568 2.380 313 2HB ALA 41 HB2 ALA 41 11.510 0.067 1.009 314 3HB ALA 41 HB3 ALA 41 12.661 -1.055 1.729 315 H ALA 42 HN ALA 42 9.885 -1.143 0.624 316 HA ALA 42 HA ALA 42 7.864 0.768 0.569 317 1HB ALA 42 HB1 ALA 42 8.377 -0.044 -1.514 318 2HB ALA 42 HB2 ALA 42 6.876 -0.907 -1.182 319 3HB ALA 42 HB3 ALA 42 8.428 -1.719 -0.973 320 H GLY 43 HN GLY 43 7.951 -2.482 1.878 321 1HA GLY 43 HA2 GLY 43 5.169 -2.850 2.222 322 2HA GLY 43 HA1 GLY 43 6.436 -3.646 3.152 323 H LYS 44 HN LYS 44 7.593 -1.072 3.990 324 HA LYS 44 HA LYS 44 6.014 -0.708 6.354 325 1HB LYS 44 HB2 LYS 44 8.504 0.620 5.289 326 2HB LYS 44 HB1 LYS 44 7.706 1.191 6.752 327 1HG LYS 44 HG2 LYS 44 8.492 -1.679 6.444 328 2HG LYS 44 HG1 LYS 44 9.651 -0.465 6.982 329 1HD LYS 44 HD2 LYS 44 8.837 -1.185 9.002 330 2HD LYS 44 HD1 LYS 44 7.720 0.142 8.671 331 1HE LYS 44 HE2 LYS 44 5.975 -1.243 8.572 332 2HE LYS 44 HE1 LYS 44 6.817 -2.340 7.480 333 1HZ LYS 44 HZ1 LYS 44 6.121 -2.937 10.001 334 2HZ LYS 44 HZ2 LYS 44 7.722 -2.442 10.224 335 3HZ LYS 44 HZ3 LYS 44 7.368 -3.702 9.152 336 H ILE 45 HN ILE 45 6.806 1.345 3.561 337 HA ILE 45 HA ILE 45 5.162 3.524 4.328 338 HB ILE 45 HB ILE 45 6.158 2.705 1.598 339 1HG1 ILE 45 HG12 ILE 45 7.163 4.872 3.457 340 2HG1 ILE 45 HG11 ILE 45 7.920 3.290 3.258 341 1HG2 ILE 45 HG21 ILE 45 4.269 4.740 2.361 342 2HG2 ILE 45 HG22 ILE 45 4.772 4.216 0.754 343 3HG2 ILE 45 HG23 ILE 45 5.696 5.450 1.610 344 1HD1 ILE 45 HD11 ILE 45 7.440 4.844 0.807 345 2HD1 ILE 45 HD12 ILE 45 8.797 3.817 1.261 346 3HD1 ILE 45 HD13 ILE 45 8.671 5.451 1.907 347 H THR 46 HN THR 46 4.655 0.725 2.216 348 HA THR 46 HA THR 46 2.185 1.368 1.142 349 HB THR 46 HB THR 46 3.164 -1.367 1.989 350 HG1 THR 46 HG1 THR 46 3.321 -0.162 -0.567 351 1HG2 THR 46 HG21 THR 46 1.456 -2.339 0.957 352 2HG2 THR 46 HG22 THR 46 1.534 -1.225 -0.408 353 3HG2 THR 46 HG23 THR 46 0.652 -0.772 1.051 354 H GLY 47 HN GLY 47 2.975 0.057 4.320 355 1HA GLY 47 HA2 GLY 47 0.368 -0.602 5.141 356 2HA GLY 47 HA1 GLY 47 1.708 -0.215 6.210 357 H MET 48 HN MET 48 2.151 2.450 5.232 358 HA MET 48 HA MET 48 0.236 3.839 6.815 359 1HB MET 48 HB2 MET 48 2.301 4.911 4.876 360 2HB MET 48 HB1 MET 48 1.393 5.881 6.027 361 1HG MET 48 HG2 MET 48 2.443 4.066 7.697 362 2HG MET 48 HG1 MET 48 3.691 4.092 6.452 363 1HE MET 48 HE1 MET 48 5.858 5.707 7.264 364 2HE MET 48 HE2 MET 48 5.133 4.600 8.428 365 3HE MET 48 HE3 MET 48 5.534 6.250 8.910 366 H ILE 49 HN ILE 49 0.928 3.879 3.308 367 HA ILE 49 HA ILE 49 -1.373 5.415 2.657 368 HB ILE 49 HB ILE 49 0.103 3.578 0.779 369 1HG1 ILE 49 HG12 ILE 49 0.905 6.399 0.793 370 2HG1 ILE 49 HG11 ILE 49 1.322 5.546 2.276 371 1HG2 ILE 49 HG21 ILE 49 -2.007 5.517 0.500 372 2HG2 ILE 49 HG22 ILE 49 -1.356 4.389 -0.688 373 3HG2 ILE 49 HG23 ILE 49 -0.609 5.971 -0.473 374 1HD1 ILE 49 HD11 ILE 49 2.055 4.614 -0.488 375 2HD1 ILE 49 HD12 ILE 49 2.583 3.921 1.045 376 3HD1 ILE 49 HD13 ILE 49 3.113 5.537 0.579 377 H LEU 50 HN LEU 50 -1.226 2.379 3.868 378 HA LEU 50 HA LEU 50 -3.108 1.020 2.195 379 1HB LEU 50 HB2 LEU 50 -1.347 0.242 4.143 380 2HB LEU 50 HB1 LEU 50 -2.878 0.133 4.987 381 HG LEU 50 HG LEU 50 -2.313 -2.015 4.042 382 1HD1 LEU 50 HD11 LEU 50 -4.645 -1.600 4.123 383 2HD1 LEU 50 HD12 LEU 50 -4.316 -2.334 2.554 384 3HD1 LEU 50 HD13 LEU 50 -4.584 -0.596 2.673 385 1HD2 LEU 50 HD21 LEU 50 -1.955 -0.428 1.529 386 2HD2 LEU 50 HD22 LEU 50 -2.376 -2.138 1.455 387 3HD2 LEU 50 HD23 LEU 50 -0.888 -1.630 2.255 388 H ASP 51 HN ASP 51 -3.638 3.712 3.740 389 HA ASP 51 HA ASP 51 -5.926 3.086 5.347 390 1HB ASP 51 HB2 ASP 51 -4.221 5.314 4.980 391 2HB ASP 51 HB1 ASP 51 -5.839 5.845 4.536 392 H LEU 52 HN LEU 52 -5.310 3.755 2.003 393 HA LEU 52 HA LEU 52 -8.068 4.464 1.443 394 1HB LEU 52 HB2 LEU 52 -5.619 4.131 -0.271 395 2HB LEU 52 HB1 LEU 52 -7.211 4.393 -0.958 396 HG LEU 52 HG LEU 52 -7.372 6.559 0.120 397 1HD1 LEU 52 HD11 LEU 52 -5.420 7.482 1.336 398 2HD1 LEU 52 HD12 LEU 52 -4.682 5.881 1.299 399 3HD1 LEU 52 HD13 LEU 52 -6.193 6.135 2.174 400 1HD2 LEU 52 HD21 LEU 52 -4.691 6.926 -0.921 401 2HD2 LEU 52 HD22 LEU 52 -6.234 7.516 -1.537 402 3HD2 LEU 52 HD23 LEU 52 -5.678 5.897 -1.958 403 HA PRO 53 HA PRO 53 -9.460 0.200 1.220 404 1HB PRO 53 HB2 PRO 53 -11.299 1.417 -0.778 405 2HB PRO 53 HB1 PRO 53 -11.664 0.377 0.598 406 1HG PRO 53 HG2 PRO 53 -12.090 3.051 0.623 407 2HG PRO 53 HG1 PRO 53 -11.711 2.117 2.077 408 1HD PRO 53 HD2 PRO 53 -10.059 4.062 0.629 409 2HD PRO 53 HD1 PRO 53 -9.891 3.449 2.281 410 HA PRO 54 HA PRO 54 -7.739 -1.735 -2.353 411 1HB PRO 54 HB2 PRO 54 -9.966 -3.024 -3.463 412 2HB PRO 54 HB1 PRO 54 -8.878 -3.688 -2.243 413 1HG PRO 54 HG2 PRO 54 -11.539 -2.383 -1.902 414 2HG PRO 54 HG1 PRO 54 -10.827 -3.743 -1.012 415 1HD PRO 54 HD2 PRO 54 -10.943 -1.305 0.069 416 2HD PRO 54 HD1 PRO 54 -9.527 -2.348 0.321 417 H GLN 55 HN GLN 55 -11.043 -0.792 -3.338 418 HA GLN 55 HA GLN 55 -10.106 0.009 -5.938 419 1HB GLN 55 HB2 GLN 55 -12.825 0.589 -4.781 420 2HB GLN 55 HB1 GLN 55 -12.369 0.474 -6.476 421 1HG GLN 55 HG2 GLN 55 -11.704 -1.977 -5.774 422 2HG GLN 55 HG1 GLN 55 -12.884 -1.679 -4.499 423 1HE2 GLN 55 HE21 GLN 55 -14.099 -3.399 -5.500 424 2HE2 GLN 55 HE22 GLN 55 -15.097 -3.059 -6.870 425 H GLU 56 HN GLU 56 -11.203 1.677 -3.022 426 HA GLU 56 HA GLU 56 -11.295 4.280 -4.022 427 1HB GLU 56 HB2 GLU 56 -11.732 3.074 -1.580 428 2HB GLU 56 HB1 GLU 56 -10.362 4.128 -1.262 429 1HG GLU 56 HG2 GLU 56 -12.561 5.349 -2.775 430 2HG GLU 56 HG1 GLU 56 -12.944 4.887 -1.118 431 H VAL 57 HN VAL 57 -8.543 2.327 -3.518 432 HA VAL 57 HA VAL 57 -6.756 4.586 -3.116 433 HB VAL 57 HB VAL 57 -6.303 2.463 -1.962 434 1HG1 VAL 57 HG11 VAL 57 -7.119 0.933 -3.645 435 2HG1 VAL 57 HG12 VAL 57 -5.465 0.533 -3.196 436 3HG1 VAL 57 HG13 VAL 57 -5.791 1.365 -4.717 437 1HG2 VAL 57 HG21 VAL 57 -3.877 2.232 -3.158 438 2HG2 VAL 57 HG22 VAL 57 -4.298 3.474 -1.979 439 3HG2 VAL 57 HG23 VAL 57 -4.385 3.830 -3.704 440 H PHE 58 HN PHE 58 -7.929 2.571 -5.674 441 HA PHE 58 HA PHE 58 -6.071 2.651 -7.642 442 1HB PHE 58 HB2 PHE 58 -9.040 3.125 -7.914 443 2HB PHE 58 HB1 PHE 58 -7.972 2.899 -9.287 444 HD1 PHE 58 HD1 PHE 58 -9.609 1.083 -9.821 445 HD2 PHE 58 HD2 PHE 58 -7.045 0.953 -6.433 446 HE1 PHE 58 HE1 PHE 58 -9.945 -1.343 -9.677 447 HE2 PHE 58 HE2 PHE 58 -7.389 -1.482 -6.267 448 HZ PHE 58 HZ PHE 58 -8.834 -2.628 -7.902 449 HA PRO 59 HA PRO 59 -7.444 7.124 -9.127 450 1HB PRO 59 HB2 PRO 59 -8.451 8.169 -6.531 451 2HB PRO 59 HB1 PRO 59 -9.034 8.478 -8.171 452 1HG PRO 59 HG2 PRO 59 -10.393 6.885 -6.536 453 2HG PRO 59 HG1 PRO 59 -10.237 6.498 -8.260 454 1HD PRO 59 HD2 PRO 59 -8.805 5.317 -5.913 455 2HD PRO 59 HD1 PRO 59 -9.423 4.526 -7.373 456 H LEU 60 HN LEU 60 -6.438 6.632 -5.766 457 HA LEU 60 HA LEU 60 -4.731 8.881 -5.617 458 1HB LEU 60 HB2 LEU 60 -5.436 7.971 -3.574 459 2HB LEU 60 HB1 LEU 60 -4.990 6.344 -4.039 460 HG LEU 60 HG LEU 60 -2.599 7.857 -4.055 461 1HD1 LEU 60 HD11 LEU 60 -4.481 8.886 -2.143 462 2HD1 LEU 60 HD12 LEU 60 -2.862 9.449 -2.555 463 3HD1 LEU 60 HD13 LEU 60 -3.073 8.189 -1.341 464 1HD2 LEU 60 HD21 LEU 60 -2.676 6.336 -1.714 465 2HD2 LEU 60 HD22 LEU 60 -2.026 5.859 -3.282 466 3HD2 LEU 60 HD23 LEU 60 -3.696 5.476 -2.867 467 H LEU 61 HN LEU 61 -3.975 5.427 -6.021 468 HA LEU 61 HA LEU 61 -1.227 5.820 -6.460 469 1HB LEU 61 HB2 LEU 61 -1.373 3.476 -7.494 470 2HB LEU 61 HB1 LEU 61 -1.769 3.672 -5.798 471 HG LEU 61 HG LEU 61 -4.229 3.945 -6.981 472 1HD1 LEU 61 HD11 LEU 61 -2.507 2.426 -8.794 473 2HD1 LEU 61 HD12 LEU 61 -4.054 3.218 -9.087 474 3HD1 LEU 61 HD13 LEU 61 -4.009 1.624 -8.342 475 1HD2 LEU 61 HD21 LEU 61 -4.163 1.300 -6.408 476 2HD2 LEU 61 HD22 LEU 61 -4.346 2.579 -5.215 477 3HD2 LEU 61 HD23 LEU 61 -2.759 1.879 -5.514 478 H GLU 62 HN GLU 62 -3.611 6.903 -8.450 479 HA GLU 62 HA GLU 62 -2.157 6.245 -10.911 480 1HB GLU 62 HB2 GLU 62 -4.965 6.791 -10.261 481 2HB GLU 62 HB1 GLU 62 -4.398 7.649 -11.686 482 1HG GLU 62 HG2 GLU 62 -3.519 4.923 -11.768 483 2HG GLU 62 HG1 GLU 62 -5.260 4.994 -11.506 484 H SER 63 HN SER 63 -2.653 8.750 -8.656 485 HA SER 63 HA SER 63 -1.603 10.740 -10.555 486 1HB SER 63 HB2 SER 63 -3.740 10.883 -8.627 487 2HB SER 63 HB1 SER 63 -2.490 12.058 -8.217 488 HG SER 63 HG SER 63 -3.907 11.800 -10.657 489 H ASP 64 HN ASP 64 0.483 11.193 -10.298 490 HA ASP 64 HA ASP 64 2.101 10.200 -8.265 491 1HB ASP 64 HB2 ASP 64 2.420 11.908 -10.566 492 2HB ASP 64 HB1 ASP 64 3.367 12.531 -9.217 493 H GLU 65 HN GLU 65 0.618 13.385 -8.608 494 HA GLU 65 HA GLU 65 1.792 14.598 -6.363 495 1HB GLU 65 HB2 GLU 65 -0.610 15.111 -8.041 496 2HB GLU 65 HB1 GLU 65 -0.545 15.900 -6.470 497 1HG GLU 65 HG2 GLU 65 1.562 16.103 -8.613 498 2HG GLU 65 HG1 GLU 65 0.331 17.315 -8.265 499 H LEU 66 HN LEU 66 -1.260 12.833 -6.718 500 HA LEU 66 HA LEU 66 -2.145 13.120 -4.070 501 1HB LEU 66 HB2 LEU 66 -3.063 11.899 -6.395 502 2HB LEU 66 HB1 LEU 66 -2.878 10.571 -5.266 503 HG LEU 66 HG LEU 66 -5.136 11.380 -5.143 504 1HD1 LEU 66 HD11 LEU 66 -5.183 12.178 -2.745 505 2HD1 LEU 66 HD12 LEU 66 -3.421 12.137 -2.795 506 3HD1 LEU 66 HD13 LEU 66 -4.344 10.659 -3.047 507 1HD2 LEU 66 HD21 LEU 66 -5.779 13.558 -5.069 508 2HD2 LEU 66 HD22 LEU 66 -4.237 13.767 -5.901 509 3HD2 LEU 66 HD23 LEU 66 -4.351 14.065 -4.167 510 H PHE 67 HN PHE 67 0.121 10.936 -5.559 511 HA PHE 67 HA PHE 67 0.248 9.127 -3.327 512 1HB PHE 67 HB2 PHE 67 0.855 8.741 -5.863 513 2HB PHE 67 HB1 PHE 67 2.439 9.322 -5.354 514 HD1 PHE 67 HD1 PHE 67 3.962 7.702 -4.804 515 HD2 PHE 67 HD2 PHE 67 -0.170 6.979 -4.090 516 HE1 PHE 67 HE1 PHE 67 4.506 5.457 -3.946 517 HE2 PHE 67 HE2 PHE 67 0.373 4.742 -3.232 518 HZ PHE 67 HZ PHE 67 2.701 3.972 -3.164 519 H GLU 68 HN GLU 68 2.450 11.570 -4.679 520 HA GLU 68 HA GLU 68 4.556 11.430 -2.979 521 1HB GLU 68 HB2 GLU 68 3.241 13.844 -4.202 522 2HB GLU 68 HB1 GLU 68 4.745 13.957 -3.298 523 1HG GLU 68 HG2 GLU 68 5.585 12.136 -4.925 524 2HG GLU 68 HG1 GLU 68 4.211 12.619 -5.917 525 H GLN 69 HN GLN 69 1.535 13.206 -2.327 526 HA GLN 69 HA GLN 69 2.318 14.303 0.135 527 1HB GLN 69 HB2 GLN 69 -0.390 13.608 -0.992 528 2HB GLN 69 HB1 GLN 69 -0.192 14.385 0.574 529 1HG GLN 69 HG2 GLN 69 1.362 15.916 -1.120 530 2HG GLN 69 HG1 GLN 69 -0.052 15.512 -2.091 531 1HE2 GLN 69 HE21 GLN 69 -1.275 17.259 -2.081 532 2HE2 GLN 69 HE22 GLN 69 -1.779 18.132 -0.679 533 H HIS 70 HN HIS 70 0.299 11.443 -0.465 534 HA HIS 70 HA HIS 70 0.229 10.616 2.233 535 1HB HIS 70 HB2 HIS 70 -0.529 9.443 -0.363 536 2HB HIS 70 HB1 HIS 70 -0.119 8.268 0.885 537 HD2 HIS 70 HD2 HIS 70 -3.068 10.401 -0.196 538 HE1 HIS 70 HE1 HIS 70 -3.909 9.093 3.758 539 HE2 HIS 70 HE2 HIS 70 -4.805 10.276 1.717 540 H TYR 71 HN TYR 71 2.209 9.476 -0.489 541 HA TYR 71 HA TYR 71 3.789 7.699 1.037 542 1HB TYR 71 HB2 TYR 71 3.890 7.180 -1.198 543 2HB TYR 71 HB1 TYR 71 3.883 8.862 -1.701 544 HD1 TYR 71 HD1 TYR 71 5.820 9.675 -2.670 545 HD2 TYR 71 HD2 TYR 71 6.107 6.483 0.122 546 HE1 TYR 71 HE1 TYR 71 8.241 9.544 -3.075 547 HE2 TYR 71 HE2 TYR 71 8.525 6.343 -0.272 548 HH TYR 71 HH TYR 71 10.096 7.025 -2.344 549 H LYS 72 HN LYS 72 3.763 11.094 0.888 550 HA LYS 72 HA LYS 72 6.490 11.702 1.201 551 1HB LYS 72 HB2 LYS 72 4.002 13.117 1.316 552 2HB LYS 72 HB1 LYS 72 4.974 13.572 2.703 553 1HG LYS 72 HG2 LYS 72 6.292 13.527 0.050 554 2HG LYS 72 HG1 LYS 72 5.148 14.827 0.391 555 1HD LYS 72 HD2 LYS 72 7.088 15.773 1.161 556 2HD LYS 72 HD1 LYS 72 6.511 14.990 2.634 557 1HE LYS 72 HE2 LYS 72 8.248 13.586 2.692 558 2HE LYS 72 HE1 LYS 72 8.125 13.228 0.969 559 1HZ LYS 72 HZ1 LYS 72 9.553 15.476 2.263 560 2HZ LYS 72 HZ2 LYS 72 9.201 15.462 0.609 561 3HZ LYS 72 HZ3 LYS 72 10.194 14.264 1.272 562 H GLU 73 HN GLU 73 4.008 11.775 3.775 563 HA GLU 73 HA GLU 73 5.747 11.882 5.925 564 1HB GLU 73 HB2 GLU 73 2.950 10.866 5.600 565 2HB GLU 73 HB1 GLU 73 3.788 10.588 7.121 566 1HG GLU 73 HG2 GLU 73 3.435 12.669 7.787 567 2HG GLU 73 HG1 GLU 73 4.074 13.325 6.281 568 H ALA 74 HN ALA 74 4.539 9.079 4.177 569 HA ALA 74 HA ALA 74 5.683 7.125 5.889 570 1HB ALA 74 HB1 ALA 74 3.825 6.840 4.133 571 2HB ALA 74 HB2 ALA 74 5.006 5.541 4.316 572 3HB ALA 74 HB3 ALA 74 5.147 6.680 2.977 573 H SER 75 HN SER 75 6.856 9.011 3.210 574 HA SER 75 HA SER 75 9.060 7.464 2.468 575 1HB SER 75 HB2 SER 75 8.189 9.484 1.233 576 2HB SER 75 HB1 SER 75 8.959 10.491 2.461 577 HG SER 75 HG SER 75 10.085 9.010 0.403 578 H ALA 76 HN ALA 76 8.891 10.195 4.755 579 HA ALA 76 HA ALA 76 11.494 10.226 5.636 580 1HB ALA 76 HB1 ALA 76 9.189 10.526 7.542 581 2HB ALA 76 HB2 ALA 76 9.573 11.746 6.326 582 3HB ALA 76 HB3 ALA 76 10.753 11.339 7.573 583 H ALA 77 HN ALA 77 8.893 8.056 6.621 584 HA ALA 77 HA ALA 77 10.454 6.670 8.594 585 1HB ALA 77 HB1 ALA 77 7.897 5.880 7.204 586 2HB ALA 77 HB2 ALA 77 8.025 6.729 8.745 587 3HB ALA 77 HB3 ALA 77 8.596 5.067 8.603 588 H TYR 78 HN TYR 78 9.813 6.406 5.212 589 HA TYR 78 HA TYR 78 10.471 3.853 4.496 590 1HB TYR 78 HB2 TYR 78 9.872 5.833 3.003 591 2HB TYR 78 HB1 TYR 78 11.562 6.287 3.077 592 HD1 TYR 78 HD1 TYR 78 10.211 5.836 0.529 593 HD2 TYR 78 HD2 TYR 78 12.196 3.069 3.074 594 HE1 TYR 78 HE1 TYR 78 10.685 4.401 -1.413 595 HE2 TYR 78 HE2 TYR 78 12.680 1.642 1.155 596 HH TYR 78 HH TYR 78 11.855 1.201 -1.074 597 H GLU 79 HN GLU 79 12.790 6.531 4.654 598 HA GLU 79 HA GLU 79 15.105 5.012 4.354 599 1HB GLU 79 HB2 GLU 79 14.489 7.717 5.427 600 2HB GLU 79 HB1 GLU 79 16.084 7.052 5.753 601 1HG GLU 79 HG2 GLU 79 15.272 6.760 2.975 602 2HG GLU 79 HG1 GLU 79 15.337 8.439 3.512 603 H SER 80 HN SER 80 13.412 5.957 7.313 604 HA SER 80 HA SER 80 15.288 5.068 9.150 605 1HB SER 80 HB2 SER 80 12.829 6.244 9.321 606 2HB SER 80 HB1 SER 80 12.488 4.630 9.943 607 HG SER 80 HG SER 80 14.735 6.054 10.863 608 H PHE 81 HN PHE 81 12.572 3.294 7.692 609 HA PHE 81 HA PHE 81 13.113 0.895 9.104 610 1HB PHE 81 HB2 PHE 81 11.404 1.506 6.701 611 2HB PHE 81 HB1 PHE 81 11.552 -0.120 7.367 612 HD1 PHE 81 HD1 PHE 81 9.500 2.605 7.323 613 HD2 PHE 81 HD2 PHE 81 11.336 -0.041 10.104 614 HE1 PHE 81 HE1 PHE 81 7.756 3.137 8.976 615 HE2 PHE 81 HE2 PHE 81 9.594 0.483 11.760 616 HZ PHE 81 HZ PHE 81 7.801 2.077 11.197 617 H LYS 82 HN LYS 82 13.752 1.863 5.721 618 HA LYS 82 HA LYS 82 15.014 -0.570 5.034 619 1HB LYS 82 HB2 LYS 82 15.899 0.675 3.069 620 2HB LYS 82 HB1 LYS 82 14.162 0.799 3.280 621 1HG LYS 82 HG2 LYS 82 14.221 3.014 3.607 622 2HG LYS 82 HG1 LYS 82 15.720 2.946 4.539 623 1HD LYS 82 HD2 LYS 82 15.547 2.642 1.541 624 2HD LYS 82 HD1 LYS 82 15.922 4.153 2.370 625 1HE LYS 82 HE2 LYS 82 17.910 3.148 3.346 626 2HE LYS 82 HE1 LYS 82 17.522 1.603 2.590 627 1HZ LYS 82 HZ1 LYS 82 18.437 4.101 1.317 628 2HZ LYS 82 HZ2 LYS 82 17.607 2.935 0.418 629 3HZ LYS 82 HZ3 LYS 82 19.071 2.540 1.168 630 H LYS 83 HN LYS 83 16.180 2.273 6.653 631 HA LYS 83 HA LYS 83 18.962 1.654 6.209 632 1HB LYS 83 HB2 LYS 83 17.517 3.694 7.875 633 2HB LYS 83 HB1 LYS 83 19.242 3.428 8.076 634 1HG LYS 83 HG2 LYS 83 18.960 3.690 5.347 635 2HG LYS 83 HG1 LYS 83 17.812 4.862 5.995 636 1HD LYS 83 HD2 LYS 83 19.443 6.139 6.953 637 2HD LYS 83 HD1 LYS 83 20.516 4.764 7.216 638 1HE LYS 83 HE2 LYS 83 19.926 5.974 4.517 639 2HE LYS 83 HE1 LYS 83 21.328 6.383 5.504 640 1HZ LYS 83 HZ1 LYS 83 21.931 4.740 3.884 641 2HZ LYS 83 HZ2 LYS 83 20.685 3.712 4.379 642 3HZ LYS 83 HZ3 LYS 83 21.981 4.030 5.419 643 H GLU 84 HN GLU 84 16.593 1.197 8.773 644 HA GLU 84 HA GLU 84 18.355 0.314 10.777 645 1HB GLU 84 HB2 GLU 84 15.612 0.712 10.548 646 2HB GLU 84 HB1 GLU 84 15.765 -1.012 10.857 647 1HG GLU 84 HG2 GLU 84 16.900 -0.637 12.899 648 2HG GLU 84 HG1 GLU 84 17.116 1.074 12.542 649 H GLN 85 HN GLN 85 17.289 -1.193 7.890 650 HA GLN 85 HA GLN 85 17.664 -3.901 8.762 651 1HB GLN 85 HB2 GLN 85 16.787 -2.539 6.345 652 2HB GLN 85 HB1 GLN 85 17.849 -3.895 5.987 653 1HG GLN 85 HG2 GLN 85 15.424 -4.088 7.754 654 2HG GLN 85 HG1 GLN 85 15.414 -4.433 6.026 655 1HE2 GLN 85 HE21 GLN 85 15.315 -5.920 8.818 656 2HE2 GLN 85 HE22 GLN 85 16.226 -7.349 8.487 657 H GLU 86 HN GLU 86 19.780 -3.753 9.682 658 HA GLU 86 HA GLU 86 21.990 -3.279 7.836 659 1HB GLU 86 HB2 GLU 86 21.615 -2.914 10.618 660 2HB GLU 86 HB1 GLU 86 22.854 -4.150 10.436 661 1HG GLU 86 HG2 GLU 86 24.194 -2.684 9.088 662 2HG GLU 86 HG1 GLU 86 22.921 -1.465 9.079 663 H GLN 87 HN GLN 87 20.209 -5.614 7.595 664 HA GLN 87 HA GLN 87 22.015 -7.827 8.235 665 1HB GLN 87 HB2 GLN 87 19.313 -7.624 8.523 666 2HB GLN 87 HB1 GLN 87 19.424 -8.415 6.957 667 1HG GLN 87 HG2 GLN 87 19.781 -10.351 7.951 668 2HG GLN 87 HG1 GLN 87 21.236 -9.707 8.710 669 1HE2 GLN 87 HE21 GLN 87 21.229 -9.279 10.839 670 2HE2 GLN 87 HE22 GLN 87 19.869 -9.500 11.880 671 H GLN 88 HN GLN 88 19.860 -7.012 5.514 672 HA GLN 88 HA GLN 88 21.455 -8.490 3.657 673 1HB GLN 88 HB2 GLN 88 18.898 -7.102 3.652 674 2HB GLN 88 HB1 GLN 88 19.796 -6.831 2.164 675 1HG GLN 88 HG2 GLN 88 20.121 -9.450 2.313 676 2HG GLN 88 HG1 GLN 88 18.637 -9.329 3.259 677 1HE2 GLN 88 HE21 GLN 88 20.035 -9.251 0.151 678 2HE2 GLN 88 HE22 GLN 88 18.588 -8.967 -0.748 679 H THR 89 HN THR 89 23.436 -7.764 3.201 680 HA THR 89 HA THR 89 23.935 -4.912 2.934 681 HB THR 89 HB THR 89 26.312 -5.636 2.621 682 HG1 THR 89 HG1 THR 89 26.765 -7.833 3.057 683 1HG2 THR 89 HG21 THR 89 24.752 -6.322 5.047 684 2HG2 THR 89 HG22 THR 89 26.028 -5.127 4.818 685 3HG2 THR 89 HG23 THR 89 26.436 -6.838 4.950 686 H GLU 90 HN GLU 90 22.317 -5.175 1.016 687 HA GLU 90 HA GLU 90 23.367 -6.243 -1.420 688 1HB GLU 90 HB2 GLU 90 21.013 -4.480 -0.768 689 2HB GLU 90 HB1 GLU 90 21.434 -4.892 -2.426 690 1HG GLU 90 HG2 GLU 90 20.986 -7.168 -2.091 691 2HG GLU 90 HG1 GLU 90 20.984 -6.993 -0.337 692 H GLN 91 HN GLN 91 22.960 -2.959 -0.127 693 HA GLN 91 HA GLN 91 24.288 -1.765 -2.389 694 1HB GLN 91 HB2 GLN 91 22.614 -0.860 -0.282 695 2HB GLN 91 HB1 GLN 91 24.124 0.032 -0.161 696 1HG GLN 91 HG2 GLN 91 22.919 -0.205 -2.851 697 2HG GLN 91 HG1 GLN 91 22.088 0.821 -1.680 698 1HE2 GLN 91 HE21 GLN 91 22.888 2.786 -1.231 699 2HE2 GLN 91 HE22 GLN 91 24.344 3.432 -1.902 700 H ALA 92 HN ALA 92 25.218 -3.055 0.660 701 HA ALA 92 HA ALA 92 27.787 -1.662 0.632 702 1HB ALA 92 HB1 ALA 92 27.949 -3.295 2.777 703 2HB ALA 92 HB2 ALA 92 26.201 -3.092 2.657 704 3HB ALA 92 HB3 ALA 92 27.244 -1.679 2.818 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -38.578 -36.601 -11.257 2 2H GLY 1 HT2 GLY 1 -38.401 -37.081 -9.644 3 3H GLY 1 HT3 GLY 1 -38.098 -38.182 -10.891 4 1HA GLY 1 HA1 GLY 1 -35.968 -37.635 -10.735 5 2HA GLY 1 HA2 GLY 1 -36.437 -36.121 -11.493 6 HA PRO 2 HA PRO 2 -35.404 -35.651 -6.775 7 1HB PRO 2 HB2 PRO 2 -32.760 -36.154 -6.493 8 2HB PRO 2 HB1 PRO 2 -33.995 -37.398 -6.268 9 1HG PRO 2 HG2 PRO 2 -32.265 -36.855 -8.652 10 2HG PRO 2 HG1 PRO 2 -32.687 -38.409 -7.907 11 1HD PRO 2 HD2 PRO 2 -33.917 -37.469 -10.134 12 2HD PRO 2 HD1 PRO 2 -34.742 -38.491 -8.940 13 H LEU 3 HN LEU 3 -33.499 -34.176 -5.866 14 HA LEU 3 HA LEU 3 -33.296 -31.958 -7.755 15 1HB LEU 3 HB2 LEU 3 -33.048 -32.205 -4.778 16 2HB LEU 3 HB1 LEU 3 -32.411 -30.795 -5.605 17 HG LEU 3 HG LEU 3 -34.653 -30.310 -6.500 18 1HD1 LEU 3 HD11 LEU 3 -36.556 -31.577 -5.328 19 2HD1 LEU 3 HD12 LEU 3 -35.344 -32.819 -5.015 20 3HD1 LEU 3 HD13 LEU 3 -35.734 -32.365 -6.674 21 1HD2 LEU 3 HD21 LEU 3 -35.197 -30.615 -3.617 22 2HD2 LEU 3 HD22 LEU 3 -35.276 -29.184 -4.644 23 3HD2 LEU 3 HD23 LEU 3 -33.719 -29.752 -4.042 24 H GLY 4 HN GLY 4 -31.196 -30.580 -7.353 25 1HA GLY 4 HA2 GLY 4 -28.968 -32.410 -7.887 26 2HA GLY 4 HA1 GLY 4 -29.023 -30.702 -8.298 27 H SER 5 HN SER 5 -28.010 -29.302 -7.002 28 HA SER 5 HA SER 5 -26.679 -30.342 -4.643 29 1HB SER 5 HB2 SER 5 -25.627 -28.807 -6.444 30 2HB SER 5 HB1 SER 5 -26.476 -27.504 -5.614 31 HG SER 5 HG SER 5 -24.344 -29.086 -4.743 32 HA PRO 6 HA PRO 6 -30.125 -28.709 -2.200 33 1HB PRO 6 HB2 PRO 6 -29.229 -29.710 0.178 34 2HB PRO 6 HB1 PRO 6 -30.147 -30.655 -0.998 35 1HG PRO 6 HG2 PRO 6 -27.196 -30.579 -0.519 36 2HG PRO 6 HG1 PRO 6 -28.244 -31.973 -0.835 37 1HD PRO 6 HD2 PRO 6 -26.694 -30.871 -2.749 38 2HD PRO 6 HD1 PRO 6 -28.275 -31.594 -3.111 39 H ARG 7 HN ARG 7 -26.770 -28.053 -2.057 40 HA ARG 7 HA ARG 7 -27.032 -26.078 0.064 41 1HB ARG 7 HB2 ARG 7 -24.723 -27.191 -1.502 42 2HB ARG 7 HB1 ARG 7 -24.539 -25.708 -0.577 43 1HG ARG 7 HG2 ARG 7 -25.784 -27.629 1.096 44 2HG ARG 7 HG1 ARG 7 -24.391 -28.389 0.323 45 1HD ARG 7 HD2 ARG 7 -23.847 -25.686 1.274 46 2HD ARG 7 HD1 ARG 7 -24.328 -26.789 2.563 47 HE ARG 7 HE ARG 7 -21.836 -26.738 1.257 48 1HH1 ARG 7 HH11 ARG 7 -24.217 -29.001 2.435 49 2HH1 ARG 7 HH12 ARG 7 -23.064 -30.264 2.709 50 1HH2 ARG 7 HH21 ARG 7 -20.316 -28.393 1.627 51 2HH2 ARG 7 HH22 ARG 7 -20.846 -29.918 2.253 52 H ASN 8 HN ASN 8 -26.649 -23.861 -0.223 53 HA ASN 8 HA ASN 8 -27.399 -22.882 -2.856 54 1HB ASN 8 HB2 ASN 8 -28.226 -22.099 -0.438 55 2HB ASN 8 HB1 ASN 8 -26.855 -21.007 -0.610 56 1HD2 ASN 8 HD21 ASN 8 -26.777 -19.773 -2.662 57 2HD2 ASN 8 HD22 ASN 8 -28.272 -19.187 -3.302 58 H ALA 9 HN ALA 9 -24.909 -22.032 -0.443 59 HA ALA 9 HA ALA 9 -23.312 -20.757 -2.500 60 1HB ALA 9 HB1 ALA 9 -23.490 -20.640 0.377 61 2HB ALA 9 HB2 ALA 9 -22.788 -19.485 -0.755 62 3HB ALA 9 HB3 ALA 9 -21.817 -20.827 -0.150 63 H ASN 10 HN ASN 10 -22.996 -22.755 -3.724 64 HA ASN 10 HA ASN 10 -21.066 -24.609 -2.522 65 1HB ASN 10 HB2 ASN 10 -23.112 -25.558 -3.585 66 2HB ASN 10 HB1 ASN 10 -22.588 -24.879 -5.122 67 1HD2 ASN 10 HD21 ASN 10 -22.078 -26.592 -6.311 68 2HD2 ASN 10 HD22 ASN 10 -20.964 -27.831 -5.853 69 H ASP 11 HN ASP 11 -21.614 -22.923 -5.612 70 HA ASP 11 HA ASP 11 -18.836 -23.222 -6.350 71 1HB ASP 11 HB2 ASP 11 -21.239 -21.976 -7.671 72 2HB ASP 11 HB1 ASP 11 -19.620 -21.748 -8.325 73 H ASN 12 HN ASN 12 -17.520 -22.012 -5.072 74 HA ASN 12 HA ASN 12 -18.193 -19.290 -4.375 75 1HB ASN 12 HB2 ASN 12 -15.775 -21.019 -3.846 76 2HB ASN 12 HB1 ASN 12 -15.856 -19.328 -3.363 77 1HD2 ASN 12 HD21 ASN 12 -15.509 -20.360 -1.236 78 2HD2 ASN 12 HD22 ASN 12 -16.901 -20.865 -0.347 79 H ASN 13 HN ASN 13 -18.251 -19.351 -7.046 80 HA ASN 13 HA ASN 13 -15.661 -18.492 -8.064 81 1HB ASN 13 HB2 ASN 13 -16.805 -18.459 -10.269 82 2HB ASN 13 HB1 ASN 13 -16.888 -20.026 -9.472 83 1HD2 ASN 13 HD21 ASN 13 -18.660 -20.437 -10.905 84 2HD2 ASN 13 HD22 ASN 13 -20.238 -19.855 -10.514 85 H GLN 14 HN GLN 14 -16.556 -16.761 -6.186 86 HA GLN 14 HA GLN 14 -17.822 -14.541 -7.603 87 1HB GLN 14 HB2 GLN 14 -17.997 -15.486 -4.973 88 2HB GLN 14 HB1 GLN 14 -17.112 -13.970 -4.855 89 1HG GLN 14 HG2 GLN 14 -18.913 -12.846 -6.091 90 2HG GLN 14 HG1 GLN 14 -19.805 -14.367 -6.140 91 1HE2 GLN 14 HE21 GLN 14 -20.560 -15.254 -4.159 92 2HE2 GLN 14 HE22 GLN 14 -20.854 -14.235 -2.794 93 H PHE 15 HN PHE 15 -14.829 -15.628 -7.549 94 HA PHE 15 HA PHE 15 -13.461 -13.172 -6.855 95 1HB PHE 15 HB2 PHE 15 -11.417 -14.502 -7.626 96 2HB PHE 15 HB1 PHE 15 -12.249 -15.064 -6.182 97 HD1 PHE 15 HD1 PHE 15 -11.438 -15.784 -9.658 98 HD2 PHE 15 HD2 PHE 15 -13.526 -17.110 -6.202 99 HE1 PHE 15 HE1 PHE 15 -11.639 -18.028 -10.652 100 HE2 PHE 15 HE2 PHE 15 -13.733 -19.362 -7.185 101 HZ PHE 15 HZ PHE 15 -12.788 -19.821 -9.412 102 H TYR 16 HN TYR 16 -15.179 -12.578 -8.776 103 HA TYR 16 HA TYR 16 -14.069 -12.834 -11.413 104 1HB TYR 16 HB2 TYR 16 -16.489 -12.709 -11.095 105 2HB TYR 16 HB1 TYR 16 -16.329 -11.120 -10.354 106 HD1 TYR 16 HD1 TYR 16 -16.853 -12.896 -13.383 107 HD2 TYR 16 HD2 TYR 16 -15.303 -9.255 -11.821 108 HE1 TYR 16 HE1 TYR 16 -17.090 -11.852 -15.596 109 HE2 TYR 16 HE2 TYR 16 -15.536 -8.201 -14.030 110 HH TYR 16 HH TYR 16 -17.390 -9.344 -16.424 111 H GLN 17 HN GLN 17 -14.815 -9.977 -9.419 112 HA GLN 17 HA GLN 17 -12.800 -8.451 -10.867 113 1HB GLN 17 HB2 GLN 17 -13.693 -6.535 -9.474 114 2HB GLN 17 HB1 GLN 17 -14.830 -7.266 -10.596 115 1HG GLN 17 HG2 GLN 17 -15.792 -8.560 -8.734 116 2HG GLN 17 HG1 GLN 17 -14.690 -7.743 -7.627 117 1HE2 GLN 17 HE21 GLN 17 -17.693 -7.800 -7.995 118 2HE2 GLN 17 HE22 GLN 17 -18.145 -6.133 -8.010 119 H GLN 18 HN GLN 18 -12.188 -10.614 -8.849 120 HA GLN 18 HA GLN 18 -11.084 -9.346 -6.554 121 1HB GLN 18 HB2 GLN 18 -11.758 -11.840 -6.954 122 2HB GLN 18 HB1 GLN 18 -10.128 -11.990 -7.597 123 1HG GLN 18 HG2 GLN 18 -9.560 -10.775 -5.290 124 2HG GLN 18 HG1 GLN 18 -11.047 -11.596 -4.822 125 1HE2 GLN 18 HE21 GLN 18 -7.995 -12.213 -6.512 126 2HE2 GLN 18 HE22 GLN 18 -7.764 -13.803 -5.878 127 H LYS 19 HN LYS 19 -9.719 -10.532 -9.606 128 HA LYS 19 HA LYS 19 -7.037 -9.913 -9.002 129 1HB LYS 19 HB2 LYS 19 -7.710 -11.471 -10.796 130 2HB LYS 19 HB1 LYS 19 -8.364 -10.117 -11.709 131 1HG LYS 19 HG2 LYS 19 -5.791 -9.312 -11.205 132 2HG LYS 19 HG1 LYS 19 -5.618 -11.051 -11.447 133 1HD LYS 19 HD2 LYS 19 -7.366 -9.691 -13.381 134 2HD LYS 19 HD1 LYS 19 -5.668 -9.215 -13.449 135 1HE LYS 19 HE2 LYS 19 -5.135 -11.700 -13.486 136 2HE LYS 19 HE1 LYS 19 -6.852 -11.959 -13.787 137 1HZ LYS 19 HZ1 LYS 19 -4.939 -11.480 -15.673 138 2HZ LYS 19 HZ2 LYS 19 -5.734 -9.993 -15.535 139 3HZ LYS 19 HZ3 LYS 19 -6.612 -11.391 -15.909 140 H GLN 20 HN GLN 20 -9.685 -8.003 -10.128 141 HA GLN 20 HA GLN 20 -8.229 -5.866 -11.264 142 1HB GLN 20 HB2 GLN 20 -10.930 -5.724 -9.913 143 2HB GLN 20 HB1 GLN 20 -10.281 -4.591 -11.090 144 1HG GLN 20 HG2 GLN 20 -10.707 -7.482 -11.752 145 2HG GLN 20 HG1 GLN 20 -11.999 -6.291 -11.893 146 1HE2 GLN 20 HE21 GLN 20 -10.755 -7.872 -13.977 147 2HE2 GLN 20 HE22 GLN 20 -10.094 -6.749 -15.113 148 H ARG 21 HN ARG 21 -9.428 -6.483 -7.998 149 HA ARG 21 HA ARG 21 -8.801 -4.049 -6.805 150 1HB ARG 21 HB2 ARG 21 -8.991 -6.850 -5.773 151 2HB ARG 21 HB1 ARG 21 -8.503 -5.538 -4.711 152 1HG ARG 21 HG2 ARG 21 -10.713 -4.464 -5.817 153 2HG ARG 21 HG1 ARG 21 -11.138 -6.175 -5.845 154 1HD ARG 21 HD2 ARG 21 -10.055 -5.827 -3.333 155 2HD ARG 21 HD1 ARG 21 -10.951 -4.332 -3.601 156 HE ARG 21 HE ARG 21 -12.684 -6.299 -4.346 157 1HH1 ARG 21 HH11 ARG 21 -10.861 -5.617 -1.449 158 2HH1 ARG 21 HH12 ARG 21 -12.037 -6.323 -0.393 159 1HH2 ARG 21 HH21 ARG 21 -14.224 -7.240 -2.960 160 2HH2 ARG 21 HH22 ARG 21 -13.940 -7.252 -1.251 161 H GLN 22 HN GLN 22 -6.842 -7.025 -6.844 162 HA GLN 22 HA GLN 22 -4.573 -5.832 -5.645 163 1HB GLN 22 HB2 GLN 22 -5.335 -8.394 -6.181 164 2HB GLN 22 HB1 GLN 22 -4.091 -8.150 -7.398 165 1HG GLN 22 HG2 GLN 22 -2.590 -7.360 -5.531 166 2HG GLN 22 HG1 GLN 22 -3.819 -7.952 -4.415 167 1HE2 GLN 22 HE21 GLN 22 -4.476 -10.247 -4.749 168 2HE2 GLN 22 HE22 GLN 22 -3.232 -11.381 -5.139 169 H ALA 23 HN ALA 23 -5.832 -5.531 -8.769 170 HA ALA 23 HA ALA 23 -3.423 -5.344 -10.257 171 1HB ALA 23 HB1 ALA 23 -6.067 -4.029 -10.867 172 2HB ALA 23 HB2 ALA 23 -5.648 -5.692 -11.275 173 3HB ALA 23 HB3 ALA 23 -4.758 -4.355 -12.002 174 H LEU 24 HN LEU 24 -5.631 -2.637 -9.563 175 HA LEU 24 HA LEU 24 -3.549 -0.713 -9.852 176 1HB LEU 24 HB2 LEU 24 -6.412 -0.647 -9.050 177 2HB LEU 24 HB1 LEU 24 -5.429 0.759 -8.720 178 HG LEU 24 HG LEU 24 -6.621 1.044 -10.805 179 1HD1 LEU 24 HD11 LEU 24 -3.948 1.446 -10.453 180 2HD1 LEU 24 HD12 LEU 24 -4.893 2.031 -11.821 181 3HD1 LEU 24 HD13 LEU 24 -3.984 0.526 -11.956 182 1HD2 LEU 24 HD21 LEU 24 -6.942 -1.319 -11.332 183 2HD2 LEU 24 HD22 LEU 24 -5.224 -1.472 -11.701 184 3HD2 LEU 24 HD23 LEU 24 -6.255 -0.446 -12.701 185 H GLY 25 HN GLY 25 -4.960 -2.423 -7.145 186 1HA GLY 25 HA2 GLY 25 -4.004 -0.796 -5.052 187 2HA GLY 25 HA1 GLY 25 -4.342 -2.520 -4.925 188 H GLU 26 HN GLU 26 -2.514 -3.491 -6.800 189 HA GLU 26 HA GLU 26 -0.167 -3.662 -5.276 190 1HB GLU 26 HB2 GLU 26 -0.885 -5.362 -6.930 191 2HB GLU 26 HB1 GLU 26 -0.511 -4.237 -8.227 192 1HG GLU 26 HG2 GLU 26 1.514 -5.125 -8.273 193 2HG GLU 26 HG1 GLU 26 1.812 -4.338 -6.724 194 H GLN 27 HN GLN 27 -1.217 -1.426 -7.731 195 HA GLN 27 HA GLN 27 1.244 -0.386 -8.545 196 1HB GLN 27 HB2 GLN 27 -1.544 0.465 -8.659 197 2HB GLN 27 HB1 GLN 27 -0.427 1.814 -8.532 198 1HG GLN 27 HG2 GLN 27 0.290 -0.262 -10.484 199 2HG GLN 27 HG1 GLN 27 -1.164 0.665 -10.846 200 1HE2 GLN 27 HE21 GLN 27 0.692 0.976 -12.620 201 2HE2 GLN 27 HE22 GLN 27 1.543 2.470 -12.452 202 H LEU 28 HN LEU 28 -0.723 0.241 -5.703 203 HA LEU 28 HA LEU 28 0.599 2.500 -4.704 204 1HB LEU 28 HB2 LEU 28 -1.518 1.088 -3.869 205 2HB LEU 28 HB1 LEU 28 -0.315 0.412 -2.788 206 HG LEU 28 HG LEU 28 0.223 2.757 -2.053 207 1HD1 LEU 28 HD11 LEU 28 -0.874 4.559 -2.828 208 2HD1 LEU 28 HD12 LEU 28 -2.386 3.689 -3.040 209 3HD1 LEU 28 HD13 LEU 28 -1.107 3.541 -4.241 210 1HD2 LEU 28 HD21 LEU 28 -2.249 2.952 -0.984 211 2HD2 LEU 28 HD22 LEU 28 -1.021 1.822 -0.414 212 3HD2 LEU 28 HD23 LEU 28 -2.273 1.274 -1.525 213 H TYR 29 HN TYR 29 1.208 -0.951 -4.172 214 HA TYR 29 HA TYR 29 3.427 -0.585 -2.447 215 1HB TYR 29 HB2 TYR 29 2.148 -2.667 -2.499 216 2HB TYR 29 HB1 TYR 29 2.670 -2.964 -4.154 217 HD1 TYR 29 HD1 TYR 29 4.386 -2.041 -0.956 218 HD2 TYR 29 HD2 TYR 29 4.214 -4.657 -4.303 219 HE1 TYR 29 HE1 TYR 29 6.357 -3.242 -0.115 220 HE2 TYR 29 HE2 TYR 29 6.186 -5.865 -3.465 221 HH TYR 29 HH TYR 29 7.896 -5.793 -1.972 222 H LYS 30 HN LYS 30 3.311 -1.494 -5.905 223 HA LYS 30 HA LYS 30 6.082 -1.555 -6.294 224 1HB LYS 30 HB2 LYS 30 5.592 -1.459 -8.681 225 2HB LYS 30 HB1 LYS 30 4.487 -2.555 -7.861 226 1HG LYS 30 HG2 LYS 30 2.782 -0.802 -7.843 227 2HG LYS 30 HG1 LYS 30 3.882 0.262 -8.721 228 1HD LYS 30 HD2 LYS 30 2.280 -0.797 -10.233 229 2HD LYS 30 HD1 LYS 30 3.929 -1.316 -10.583 230 1HE LYS 30 HE2 LYS 30 2.383 -2.972 -8.681 231 2HE LYS 30 HE1 LYS 30 1.874 -3.016 -10.369 232 1HZ LYS 30 HZ1 LYS 30 4.256 -4.086 -9.129 233 2HZ LYS 30 HZ2 LYS 30 4.529 -3.290 -10.597 234 3HZ LYS 30 HZ3 LYS 30 3.444 -4.586 -10.528 235 H LYS 31 HN LYS 31 3.831 1.120 -6.342 236 HA LYS 31 HA LYS 31 5.421 2.996 -7.697 237 1HB LYS 31 HB2 LYS 31 2.938 3.135 -6.889 238 2HB LYS 31 HB1 LYS 31 3.638 3.819 -5.429 239 1HG LYS 31 HG2 LYS 31 3.602 5.789 -6.432 240 2HG LYS 31 HG1 LYS 31 4.851 5.193 -7.526 241 1HD LYS 31 HD2 LYS 31 2.105 4.380 -8.200 242 2HD LYS 31 HD1 LYS 31 2.426 6.111 -8.322 243 1HE LYS 31 HE2 LYS 31 2.885 5.137 -10.452 244 2HE LYS 31 HE1 LYS 31 4.428 5.561 -9.711 245 1HZ LYS 31 HZ1 LYS 31 5.049 3.425 -9.593 246 2HZ LYS 31 HZ2 LYS 31 3.881 3.177 -10.789 247 3HZ LYS 31 HZ3 LYS 31 3.507 2.871 -9.169 248 H VAL 32 HN VAL 32 5.423 1.876 -4.400 249 HA VAL 32 HA VAL 32 7.274 3.909 -3.496 250 HB VAL 32 HB VAL 32 6.482 1.341 -2.108 251 1HG1 VAL 32 HG11 VAL 32 8.498 2.254 -1.195 252 2HG1 VAL 32 HG12 VAL 32 7.179 2.606 -0.079 253 3HG1 VAL 32 HG13 VAL 32 7.797 3.870 -1.141 254 1HG2 VAL 32 HG21 VAL 32 4.913 2.788 -0.832 255 2HG2 VAL 32 HG22 VAL 32 4.493 2.629 -2.537 256 3HG2 VAL 32 HG23 VAL 32 5.271 4.100 -1.955 257 H SER 33 HN SER 33 7.376 0.419 -4.186 258 HA SER 33 HA SER 33 10.201 0.234 -3.775 259 1HB SER 33 HB2 SER 33 7.998 -1.581 -4.414 260 2HB SER 33 HB1 SER 33 9.489 -1.976 -5.270 261 HG SER 33 HG SER 33 10.555 -2.078 -3.292 262 H ALA 34 HN ALA 34 8.735 1.953 -6.017 263 HA ALA 34 HA ALA 34 9.620 1.046 -8.495 264 1HB ALA 34 HB1 ALA 34 9.240 3.890 -7.560 265 2HB ALA 34 HB2 ALA 34 8.000 2.849 -8.260 266 3HB ALA 34 HB3 ALA 34 9.371 3.369 -9.240 267 H LYS 35 HN LYS 35 11.412 2.221 -5.836 268 HA LYS 35 HA LYS 35 13.711 2.862 -7.550 269 1HB LYS 35 HB2 LYS 35 13.352 3.376 -4.593 270 2HB LYS 35 HB1 LYS 35 14.685 3.937 -5.593 271 1HG LYS 35 HG2 LYS 35 11.966 4.713 -6.448 272 2HG LYS 35 HG1 LYS 35 12.583 5.452 -4.969 273 1HD LYS 35 HD2 LYS 35 14.417 5.384 -7.290 274 2HD LYS 35 HD1 LYS 35 13.029 6.466 -7.410 275 1HE LYS 35 HE2 LYS 35 14.376 7.920 -6.344 276 2HE LYS 35 HE1 LYS 35 13.891 7.024 -4.905 277 1HZ LYS 35 HZ1 LYS 35 16.332 6.493 -6.518 278 2HZ LYS 35 HZ2 LYS 35 15.873 5.670 -5.113 279 3HZ LYS 35 HZ3 LYS 35 16.292 7.306 -5.033 280 H THR 36 HN THR 36 12.447 0.320 -5.775 281 HA THR 36 HA THR 36 14.634 -1.367 -6.148 282 HB THR 36 HB THR 36 15.765 -0.015 -4.467 283 HG1 THR 36 HG1 THR 36 14.969 -2.576 -3.567 284 1HG2 THR 36 HG21 THR 36 14.015 -0.831 -2.258 285 2HG2 THR 36 HG22 THR 36 13.397 0.439 -3.312 286 3HG2 THR 36 HG23 THR 36 14.945 0.647 -2.494 287 H SER 37 HN SER 37 14.282 -3.505 -5.298 288 HA SER 37 HA SER 37 11.453 -4.036 -4.825 289 1HB SER 37 HB2 SER 37 12.835 -5.273 -6.573 290 2HB SER 37 HB1 SER 37 13.644 -6.074 -5.226 291 HG SER 37 HG SER 37 11.167 -6.518 -6.284 292 H ASN 38 HN ASN 38 12.749 -2.850 -2.680 293 HA ASN 38 HA ASN 38 13.503 -4.873 -0.762 294 1HB ASN 38 HB2 ASN 38 13.426 -1.919 -0.809 295 2HB ASN 38 HB1 ASN 38 13.153 -2.660 0.766 296 1HD2 ASN 38 HD21 ASN 38 15.470 -1.385 -1.102 297 2HD2 ASN 38 HD22 ASN 38 16.844 -2.266 -0.535 298 H GLU 39 HN GLU 39 11.873 -6.228 -0.248 299 HA GLU 39 HA GLU 39 9.167 -5.623 -0.131 300 1HB GLU 39 HB2 GLU 39 10.757 -7.773 1.249 301 2HB GLU 39 HB1 GLU 39 9.003 -7.684 1.336 302 1HG GLU 39 HG2 GLU 39 10.145 -7.573 -1.370 303 2HG GLU 39 HG1 GLU 39 10.356 -9.096 -0.509 304 H GLU 40 HN GLU 40 11.643 -5.067 2.230 305 HA GLU 40 HA GLU 40 9.744 -4.579 4.371 306 1HB GLU 40 HB2 GLU 40 12.718 -4.026 4.269 307 2HB GLU 40 HB1 GLU 40 11.702 -3.996 5.705 308 1HG GLU 40 HG2 GLU 40 11.219 -6.412 5.313 309 2HG GLU 40 HG1 GLU 40 12.429 -6.384 4.032 310 H ALA 41 HN ALA 41 11.363 -2.847 1.885 311 HA ALA 41 HA ALA 41 11.216 -0.244 3.008 312 1HB ALA 41 HB1 ALA 41 11.665 0.482 0.676 313 2HB ALA 41 HB2 ALA 41 11.538 -1.201 0.174 314 3HB ALA 41 HB3 ALA 41 12.809 -0.708 1.290 315 H ALA 42 HN ALA 42 9.617 -1.241 0.025 316 HA ALA 42 HA ALA 42 7.627 0.701 0.153 317 1HB ALA 42 HB1 ALA 42 6.490 -0.979 -1.529 318 2HB ALA 42 HB2 ALA 42 8.083 -1.732 -1.482 319 3HB ALA 42 HB3 ALA 42 7.919 -0.048 -1.974 320 H GLY 43 HN GLY 43 7.778 -2.516 1.503 321 1HA GLY 43 HA2 GLY 43 5.009 -2.869 1.973 322 2HA GLY 43 HA1 GLY 43 6.312 -3.655 2.862 323 H LYS 44 HN LYS 44 7.483 -0.994 3.492 324 HA LYS 44 HA LYS 44 6.149 -0.589 5.991 325 1HB LYS 44 HB2 LYS 44 8.658 -0.237 5.325 326 2HB LYS 44 HB1 LYS 44 8.114 1.356 4.820 327 1HG LYS 44 HG2 LYS 44 7.570 0.293 7.568 328 2HG LYS 44 HG1 LYS 44 9.072 1.126 7.164 329 1HD LYS 44 HD2 LYS 44 8.062 3.147 6.995 330 2HD LYS 44 HD1 LYS 44 6.567 2.471 6.355 331 1HE LYS 44 HE2 LYS 44 5.626 2.520 8.370 332 2HE LYS 44 HE1 LYS 44 6.958 1.587 9.053 333 1HZ LYS 44 HZ1 LYS 44 8.156 3.552 9.508 334 2HZ LYS 44 HZ2 LYS 44 6.582 3.836 10.054 335 3HZ LYS 44 HZ3 LYS 44 7.112 4.507 8.597 336 H ILE 45 HN ILE 45 6.829 1.671 3.337 337 HA ILE 45 HA ILE 45 5.067 3.671 4.124 338 HB ILE 45 HB ILE 45 6.038 2.971 1.356 339 1HG1 ILE 45 HG12 ILE 45 7.056 5.140 3.196 340 2HG1 ILE 45 HG11 ILE 45 7.741 3.517 3.175 341 1HG2 ILE 45 HG21 ILE 45 4.173 4.994 2.257 342 2HG2 ILE 45 HG22 ILE 45 4.583 4.484 0.619 343 3HG2 ILE 45 HG23 ILE 45 5.569 5.695 1.439 344 1HD1 ILE 45 HD11 ILE 45 8.751 5.469 1.755 345 2HD1 ILE 45 HD12 ILE 45 7.504 4.973 0.614 346 3HD1 ILE 45 HD13 ILE 45 8.718 3.811 1.154 347 H THR 46 HN THR 46 4.539 0.889 1.996 348 HA THR 46 HA THR 46 2.017 1.566 1.024 349 HB THR 46 HB THR 46 3.147 -1.168 1.655 350 HG1 THR 46 HG1 THR 46 3.058 0.388 -0.710 351 1HG2 THR 46 HG21 THR 46 0.516 -0.697 1.088 352 2HG2 THR 46 HG22 THR 46 1.392 -2.191 0.749 353 3HG2 THR 46 HG23 THR 46 1.208 -0.971 -0.512 354 H GLY 47 HN GLY 47 2.957 0.110 4.100 355 1HA GLY 47 HA2 GLY 47 0.382 -0.609 4.979 356 2HA GLY 47 HA1 GLY 47 1.753 -0.254 6.023 357 H MET 48 HN MET 48 2.036 2.452 4.845 358 HA MET 48 HA MET 48 0.274 3.828 6.641 359 1HB MET 48 HB2 MET 48 2.070 4.992 4.508 360 2HB MET 48 HB1 MET 48 1.382 5.848 5.878 361 1HG MET 48 HG2 MET 48 2.844 3.605 6.843 362 2HG MET 48 HG1 MET 48 3.850 4.500 5.704 363 1HE MET 48 HE1 MET 48 5.552 6.547 8.068 364 2HE MET 48 HE2 MET 48 5.527 5.247 6.877 365 3HE MET 48 HE3 MET 48 5.311 4.881 8.589 366 H ILE 49 HN ILE 49 0.752 4.005 3.108 367 HA ILE 49 HA ILE 49 -1.607 5.482 2.618 368 HB ILE 49 HB ILE 49 -0.167 3.718 0.633 369 1HG1 ILE 49 HG12 ILE 49 0.566 6.502 0.488 370 2HG1 ILE 49 HG11 ILE 49 0.885 5.887 2.107 371 1HG2 ILE 49 HG21 ILE 49 -2.484 5.066 0.288 372 2HG2 ILE 49 HG22 ILE 49 -1.323 4.755 -0.997 373 3HG2 ILE 49 HG23 ILE 49 -1.319 6.307 -0.165 374 1HD1 ILE 49 HD11 ILE 49 1.910 4.720 -0.468 375 2HD1 ILE 49 HD12 ILE 49 2.212 4.074 1.146 376 3HD1 ILE 49 HD13 ILE 49 2.835 5.664 0.700 377 H LEU 50 HN LEU 50 -1.342 2.429 3.749 378 HA LEU 50 HA LEU 50 -3.276 1.013 2.222 379 1HB LEU 50 HB2 LEU 50 -1.512 0.446 4.311 380 2HB LEU 50 HB1 LEU 50 -3.111 0.146 4.967 381 HG LEU 50 HG LEU 50 -3.589 -1.473 3.261 382 1HD1 LEU 50 HD11 LEU 50 -2.722 -1.227 1.231 383 2HD1 LEU 50 HD12 LEU 50 -1.189 -1.822 1.867 384 3HD1 LEU 50 HD13 LEU 50 -1.515 -0.089 1.827 385 1HD2 LEU 50 HD21 LEU 50 -1.575 -1.732 5.164 386 2HD2 LEU 50 HD22 LEU 50 -0.929 -2.478 3.703 387 3HD2 LEU 50 HD23 LEU 50 -2.465 -3.029 4.368 388 H ASP 51 HN ASP 51 -3.716 3.755 3.842 389 HA ASP 51 HA ASP 51 -5.990 3.184 5.462 390 1HB ASP 51 HB2 ASP 51 -4.310 5.231 5.468 391 2HB ASP 51 HB1 ASP 51 -5.489 5.912 4.351 392 H LEU 52 HN LEU 52 -5.438 3.903 2.100 393 HA LEU 52 HA LEU 52 -8.272 4.428 1.627 394 1HB LEU 52 HB2 LEU 52 -5.834 4.474 -0.143 395 2HB LEU 52 HB1 LEU 52 -7.460 4.637 -0.779 396 HG LEU 52 HG LEU 52 -7.798 6.688 0.467 397 1HD1 LEU 52 HD11 LEU 52 -5.206 5.926 1.732 398 2HD1 LEU 52 HD12 LEU 52 -6.687 6.526 2.477 399 3HD1 LEU 52 HD13 LEU 52 -5.637 7.628 1.586 400 1HD2 LEU 52 HD21 LEU 52 -5.091 6.876 -0.822 401 2HD2 LEU 52 HD22 LEU 52 -6.355 8.102 -0.749 402 3HD2 LEU 52 HD23 LEU 52 -6.574 6.669 -1.753 403 HA PRO 53 HA PRO 53 -9.155 0.063 1.168 404 1HB PRO 53 HB2 PRO 53 -11.152 1.143 -0.758 405 2HB PRO 53 HB1 PRO 53 -11.367 -0.015 0.556 406 1HG PRO 53 HG2 PRO 53 -12.142 2.558 0.771 407 2HG PRO 53 HG1 PRO 53 -11.556 1.618 2.153 408 1HD PRO 53 HD2 PRO 53 -10.252 3.820 0.689 409 2HD PRO 53 HD1 PRO 53 -9.966 3.235 2.337 410 HA PRO 54 HA PRO 54 -7.268 -1.554 -2.463 411 1HB PRO 54 HB2 PRO 54 -9.866 -2.812 -3.200 412 2HB PRO 54 HB1 PRO 54 -8.267 -3.547 -3.049 413 1HG PRO 54 HG2 PRO 54 -10.125 -3.898 -1.166 414 2HG PRO 54 HG1 PRO 54 -8.414 -3.707 -0.744 415 1HD PRO 54 HD2 PRO 54 -10.665 -1.778 -0.481 416 2HD PRO 54 HD1 PRO 54 -9.225 -1.982 0.536 417 H GLN 55 HN GLN 55 -10.657 -0.957 -3.369 418 HA GLN 55 HA GLN 55 -9.903 0.017 -5.957 419 1HB GLN 55 HB2 GLN 55 -12.646 0.328 -4.769 420 2HB GLN 55 HB1 GLN 55 -12.190 0.134 -6.457 421 1HG GLN 55 HG2 GLN 55 -12.562 -2.036 -6.297 422 2HG GLN 55 HG1 GLN 55 -11.278 -2.163 -5.095 423 1HE2 GLN 55 HE21 GLN 55 -11.838 -2.060 -2.874 424 2HE2 GLN 55 HE22 GLN 55 -13.441 -2.413 -2.343 425 H GLU 56 HN GLU 56 -11.127 1.480 -2.974 426 HA GLU 56 HA GLU 56 -11.447 4.093 -3.930 427 1HB GLU 56 HB2 GLU 56 -11.556 2.760 -1.409 428 2HB GLU 56 HB1 GLU 56 -10.590 4.215 -1.220 429 1HG GLU 56 HG2 GLU 56 -13.396 4.049 -2.294 430 2HG GLU 56 HG1 GLU 56 -12.907 4.660 -0.715 431 H VAL 57 HN VAL 57 -8.605 2.296 -3.415 432 HA VAL 57 HA VAL 57 -6.937 4.650 -3.041 433 HB VAL 57 HB VAL 57 -6.494 2.487 -1.825 434 1HG1 VAL 57 HG11 VAL 57 -6.327 1.492 -4.527 435 2HG1 VAL 57 HG12 VAL 57 -6.390 0.610 -3.004 436 3HG1 VAL 57 HG13 VAL 57 -4.842 1.168 -3.635 437 1HG2 VAL 57 HG21 VAL 57 -4.086 2.714 -1.979 438 2HG2 VAL 57 HG22 VAL 57 -4.867 4.294 -2.000 439 3HG2 VAL 57 HG23 VAL 57 -4.254 3.595 -3.496 440 H PHE 58 HN PHE 58 -8.001 2.538 -5.545 441 HA PHE 58 HA PHE 58 -6.044 2.657 -7.461 442 1HB PHE 58 HB2 PHE 58 -9.043 2.797 -7.754 443 2HB PHE 58 HB1 PHE 58 -7.973 2.723 -9.147 444 HD1 PHE 58 HD1 PHE 58 -9.377 0.686 -9.663 445 HD2 PHE 58 HD2 PHE 58 -6.736 0.894 -6.338 446 HE1 PHE 58 HE1 PHE 58 -9.387 -1.768 -9.507 447 HE2 PHE 58 HE2 PHE 58 -6.739 -1.559 -6.175 448 HZ PHE 58 HZ PHE 58 -8.064 -2.886 -7.767 449 HA PRO 59 HA PRO 59 -7.839 6.955 -9.025 450 1HB PRO 59 HB2 PRO 59 -9.016 8.396 -6.971 451 2HB PRO 59 HB1 PRO 59 -9.891 7.519 -8.229 452 1HG PRO 59 HG2 PRO 59 -9.258 6.697 -5.430 453 2HG PRO 59 HG1 PRO 59 -10.736 6.428 -6.373 454 1HD PRO 59 HD2 PRO 59 -8.943 4.476 -5.988 455 2HD PRO 59 HD1 PRO 59 -9.824 4.631 -7.519 456 H LEU 60 HN LEU 60 -6.498 6.315 -5.875 457 HA LEU 60 HA LEU 60 -5.104 8.854 -5.753 458 1HB LEU 60 HB2 LEU 60 -5.778 8.066 -3.645 459 2HB LEU 60 HB1 LEU 60 -5.237 6.434 -3.983 460 HG LEU 60 HG LEU 60 -2.939 8.080 -4.109 461 1HD1 LEU 60 HD11 LEU 60 -3.773 8.484 -1.378 462 2HD1 LEU 60 HD12 LEU 60 -4.797 9.359 -2.514 463 3HD1 LEU 60 HD13 LEU 60 -3.053 9.611 -2.525 464 1HD2 LEU 60 HD21 LEU 60 -2.622 5.899 -3.432 465 2HD2 LEU 60 HD22 LEU 60 -3.982 5.942 -2.307 466 3HD2 LEU 60 HD23 LEU 60 -2.482 6.779 -1.908 467 H LEU 61 HN LEU 61 -4.201 5.427 -5.928 468 HA LEU 61 HA LEU 61 -1.459 5.851 -6.276 469 1HB LEU 61 HB2 LEU 61 -1.479 3.488 -7.187 470 2HB LEU 61 HB1 LEU 61 -2.108 3.724 -5.570 471 HG LEU 61 HG LEU 61 -4.392 3.922 -7.033 472 1HD1 LEU 61 HD11 LEU 61 -2.419 2.381 -8.598 473 2HD1 LEU 61 HD12 LEU 61 -3.825 3.304 -9.130 474 3HD1 LEU 61 HD13 LEU 61 -4.033 1.694 -8.444 475 1HD2 LEU 61 HD21 LEU 61 -3.025 1.669 -5.630 476 2HD2 LEU 61 HD22 LEU 61 -4.555 1.383 -6.459 477 3HD2 LEU 61 HD23 LEU 61 -4.463 2.576 -5.167 478 H GLU 62 HN GLU 62 -3.721 6.890 -8.409 479 HA GLU 62 HA GLU 62 -2.124 6.205 -10.771 480 1HB GLU 62 HB2 GLU 62 -4.034 6.954 -12.097 481 2HB GLU 62 HB1 GLU 62 -4.518 5.716 -10.947 482 1HG GLU 62 HG2 GLU 62 -5.960 7.067 -9.934 483 2HG GLU 62 HG1 GLU 62 -4.806 8.399 -9.878 484 H SER 63 HN SER 63 -2.581 8.666 -8.531 485 HA SER 63 HA SER 63 -1.559 10.695 -10.408 486 1HB SER 63 HB2 SER 63 -3.623 10.801 -8.331 487 2HB SER 63 HB1 SER 63 -2.445 12.108 -8.211 488 HG SER 63 HG SER 63 -3.026 12.832 -10.166 489 H ASP 64 HN ASP 64 0.519 11.126 -10.134 490 HA ASP 64 HA ASP 64 2.094 10.163 -8.038 491 1HB ASP 64 HB2 ASP 64 2.470 12.037 -10.294 492 2HB ASP 64 HB1 ASP 64 3.592 12.232 -8.952 493 H GLU 65 HN GLU 65 0.561 13.312 -8.509 494 HA GLU 65 HA GLU 65 1.748 14.697 -6.403 495 1HB GLU 65 HB2 GLU 65 -0.247 15.216 -8.278 496 2HB GLU 65 HB1 GLU 65 -1.059 15.388 -6.728 497 1HG GLU 65 HG2 GLU 65 -0.124 17.364 -6.397 498 2HG GLU 65 HG1 GLU 65 1.488 16.694 -6.637 499 H LEU 66 HN LEU 66 -1.330 12.895 -6.408 500 HA LEU 66 HA LEU 66 -1.918 13.266 -3.697 501 1HB LEU 66 HB2 LEU 66 -3.066 11.945 -5.886 502 2HB LEU 66 HB1 LEU 66 -2.838 10.705 -4.668 503 HG LEU 66 HG LEU 66 -4.414 13.259 -4.379 504 1HD1 LEU 66 HD11 LEU 66 -5.245 11.042 -5.569 505 2HD1 LEU 66 HD12 LEU 66 -6.304 12.001 -4.535 506 3HD1 LEU 66 HD13 LEU 66 -5.527 10.550 -3.899 507 1HD2 LEU 66 HD21 LEU 66 -3.934 13.151 -2.205 508 2HD2 LEU 66 HD22 LEU 66 -3.153 11.580 -2.377 509 3HD2 LEU 66 HD23 LEU 66 -4.901 11.677 -2.162 510 H PHE 67 HN PHE 67 0.221 11.045 -5.308 511 HA PHE 67 HA PHE 67 0.481 9.234 -3.108 512 1HB PHE 67 HB2 PHE 67 1.077 8.934 -5.678 513 2HB PHE 67 HB1 PHE 67 2.656 9.496 -5.132 514 HD1 PHE 67 HD1 PHE 67 4.162 7.783 -4.744 515 HD2 PHE 67 HD2 PHE 67 0.046 7.176 -3.838 516 HE1 PHE 67 HE1 PHE 67 4.676 5.520 -3.937 517 HE2 PHE 67 HE2 PHE 67 0.569 4.919 -3.032 518 HZ PHE 67 HZ PHE 67 2.863 4.086 -3.077 519 H GLU 68 HN GLU 68 2.662 11.700 -4.476 520 HA GLU 68 HA GLU 68 4.751 11.575 -2.749 521 1HB GLU 68 HB2 GLU 68 3.442 13.995 -3.976 522 2HB GLU 68 HB1 GLU 68 4.949 14.091 -3.074 523 1HG GLU 68 HG2 GLU 68 5.638 12.162 -4.757 524 2HG GLU 68 HG1 GLU 68 4.403 12.938 -5.746 525 H GLN 69 HN GLN 69 1.701 13.304 -2.146 526 HA GLN 69 HA GLN 69 2.382 14.469 0.298 527 1HB GLN 69 HB2 GLN 69 -0.362 13.431 -0.416 528 2HB GLN 69 HB1 GLN 69 0.033 14.766 0.660 529 1HG GLN 69 HG2 GLN 69 1.151 15.245 -1.933 530 2HG GLN 69 HG1 GLN 69 -0.566 14.868 -2.076 531 1HE2 GLN 69 HE21 GLN 69 1.504 16.703 0.155 532 2HE2 GLN 69 HE22 GLN 69 0.513 18.118 0.177 533 H HIS 70 HN HIS 70 0.369 11.569 -0.116 534 HA HIS 70 HA HIS 70 0.547 10.802 2.593 535 1HB HIS 70 HB2 HIS 70 -0.267 9.334 0.098 536 2HB HIS 70 HB1 HIS 70 -0.199 8.509 1.655 537 HD2 HIS 70 HD2 HIS 70 -2.813 10.124 -0.353 538 HE1 HIS 70 HE1 HIS 70 -3.857 11.102 3.645 539 HE2 HIS 70 HE2 HIS 70 -4.616 11.073 1.239 540 H TYR 71 HN TYR 71 2.253 9.572 -0.277 541 HA TYR 71 HA TYR 71 3.898 7.739 1.070 542 1HB TYR 71 HB2 TYR 71 3.815 7.402 -1.224 543 2HB TYR 71 HB1 TYR 71 3.974 9.110 -1.591 544 HD1 TYR 71 HD1 TYR 71 6.032 9.989 -2.226 545 HD2 TYR 71 HD2 TYR 71 5.900 6.193 -0.328 546 HE1 TYR 71 HE1 TYR 71 8.421 9.673 -2.715 547 HE2 TYR 71 HE2 TYR 71 8.284 5.859 -0.802 548 HH TYR 71 HH TYR 71 10.358 7.852 -1.303 549 H LYS 72 HN LYS 72 3.901 11.126 1.169 550 HA LYS 72 HA LYS 72 6.676 11.642 1.427 551 1HB LYS 72 HB2 LYS 72 4.232 13.138 1.559 552 2HB LYS 72 HB1 LYS 72 5.239 13.560 2.932 553 1HG LYS 72 HG2 LYS 72 6.898 13.485 0.645 554 2HG LYS 72 HG1 LYS 72 5.450 14.407 0.234 555 1HD LYS 72 HD2 LYS 72 5.968 16.092 1.641 556 2HD LYS 72 HD1 LYS 72 6.620 15.003 2.869 557 1HE LYS 72 HE2 LYS 72 8.722 15.117 2.044 558 2HE LYS 72 HE1 LYS 72 8.173 15.217 0.371 559 1HZ LYS 72 HZ1 LYS 72 8.643 17.353 2.303 560 2HZ LYS 72 HZ2 LYS 72 7.366 17.566 1.215 561 3HZ LYS 72 HZ3 LYS 72 8.935 17.316 0.636 562 H GLU 73 HN GLU 73 4.122 11.572 3.934 563 HA GLU 73 HA GLU 73 5.766 11.736 6.155 564 1HB GLU 73 HB2 GLU 73 3.026 10.882 5.614 565 2HB GLU 73 HB1 GLU 73 3.740 10.025 6.975 566 1HG GLU 73 HG2 GLU 73 3.738 13.019 6.715 567 2HG GLU 73 HG1 GLU 73 2.476 12.109 7.545 568 H ALA 74 HN ALA 74 4.747 8.895 4.345 569 HA ALA 74 HA ALA 74 6.075 7.009 6.008 570 1HB ALA 74 HB1 ALA 74 5.283 5.414 4.577 571 2HB ALA 74 HB2 ALA 74 5.493 6.433 3.156 572 3HB ALA 74 HB3 ALA 74 4.145 6.721 4.253 573 H SER 75 HN SER 75 6.984 8.901 3.202 574 HA SER 75 HA SER 75 9.246 7.479 2.387 575 1HB SER 75 HB2 SER 75 8.468 9.263 0.988 576 2HB SER 75 HB1 SER 75 8.642 10.443 2.286 577 HG SER 75 HG SER 75 10.827 8.994 1.207 578 H ALA 76 HN ALA 76 9.052 10.240 4.640 579 HA ALA 76 HA ALA 76 11.681 10.391 5.431 580 1HB ALA 76 HB1 ALA 76 10.743 11.113 7.696 581 2HB ALA 76 HB2 ALA 76 9.151 10.832 6.989 582 3HB ALA 76 HB3 ALA 76 10.231 12.034 6.281 583 H ALA 77 HN ALA 77 9.216 8.111 6.465 584 HA ALA 77 HA ALA 77 10.842 6.834 8.461 585 1HB ALA 77 HB1 ALA 77 8.891 5.960 9.064 586 2HB ALA 77 HB2 ALA 77 8.734 5.141 7.509 587 3HB ALA 77 HB3 ALA 77 8.135 6.787 7.703 588 H TYR 78 HN TYR 78 10.505 6.620 5.074 589 HA TYR 78 HA TYR 78 11.178 3.983 4.490 590 1HB TYR 78 HB2 TYR 78 10.535 5.945 2.910 591 2HB TYR 78 HB1 TYR 78 12.254 6.311 2.907 592 HD1 TYR 78 HD1 TYR 78 10.281 5.390 0.614 593 HD2 TYR 78 HD2 TYR 78 13.232 3.407 2.946 594 HE1 TYR 78 HE1 TYR 78 10.613 3.760 -1.202 595 HE2 TYR 78 HE2 TYR 78 13.575 1.781 1.146 596 HH TYR 78 HH TYR 78 11.693 1.921 -1.861 597 H GLU 79 HN GLU 79 13.286 6.802 4.866 598 HA GLU 79 HA GLU 79 15.730 5.448 4.582 599 1HB GLU 79 HB2 GLU 79 14.821 8.102 5.420 600 2HB GLU 79 HB1 GLU 79 16.332 7.603 6.167 601 1HG GLU 79 HG2 GLU 79 16.983 6.968 3.719 602 2HG GLU 79 HG1 GLU 79 15.707 8.111 3.305 603 H SER 80 HN SER 80 14.091 6.543 7.557 604 HA SER 80 HA SER 80 15.957 5.563 9.350 605 1HB SER 80 HB2 SER 80 13.394 6.771 9.484 606 2HB SER 80 HB1 SER 80 13.367 5.352 10.532 607 HG SER 80 HG SER 80 14.206 7.513 11.349 608 H PHE 81 HN PHE 81 13.049 3.951 8.090 609 HA PHE 81 HA PHE 81 13.430 1.604 9.631 610 1HB PHE 81 HB2 PHE 81 11.630 2.431 7.426 611 2HB PHE 81 HB1 PHE 81 11.864 0.700 7.653 612 HD1 PHE 81 HD1 PHE 81 11.154 3.759 9.660 613 HD2 PHE 81 HD2 PHE 81 10.474 -0.400 9.096 614 HE1 PHE 81 HE1 PHE 81 9.543 3.778 11.521 615 HE2 PHE 81 HE2 PHE 81 8.857 -0.392 10.956 616 HZ PHE 81 HZ PHE 81 8.390 1.701 12.169 617 H LYS 82 HN LYS 82 14.088 2.336 6.210 618 HA LYS 82 HA LYS 82 15.133 -0.189 5.567 619 1HB LYS 82 HB2 LYS 82 15.170 2.495 4.340 620 2HB LYS 82 HB1 LYS 82 16.447 1.402 3.835 621 1HG LYS 82 HG2 LYS 82 14.024 -0.057 3.817 622 2HG LYS 82 HG1 LYS 82 13.738 1.480 3.003 623 1HD LYS 82 HD2 LYS 82 14.486 -0.057 1.342 624 2HD LYS 82 HD1 LYS 82 15.825 1.045 1.664 625 1HE LYS 82 HE2 LYS 82 16.174 -1.021 3.484 626 2HE LYS 82 HE1 LYS 82 15.658 -1.824 2.002 627 1HZ LYS 82 HZ1 LYS 82 17.422 -0.546 0.837 628 2HZ LYS 82 HZ2 LYS 82 18.012 -1.655 1.968 629 3HZ LYS 82 HZ3 LYS 82 17.977 -0.006 2.342 630 H LYS 83 HN LYS 83 16.646 2.707 6.881 631 HA LYS 83 HA LYS 83 19.316 1.688 6.663 632 1HB LYS 83 HB2 LYS 83 18.091 4.074 8.016 633 2HB LYS 83 HB1 LYS 83 19.774 3.648 8.291 634 1HG LYS 83 HG2 LYS 83 19.830 3.613 5.648 635 2HG LYS 83 HG1 LYS 83 18.456 4.702 5.850 636 1HD LYS 83 HD2 LYS 83 20.024 6.306 5.999 637 2HD LYS 83 HD1 LYS 83 20.221 5.722 7.653 638 1HE LYS 83 HE2 LYS 83 21.774 4.051 5.982 639 2HE LYS 83 HE1 LYS 83 22.106 5.716 5.507 640 1HZ LYS 83 HZ1 LYS 83 22.117 4.959 8.355 641 2HZ LYS 83 HZ2 LYS 83 22.916 6.238 7.588 642 3HZ LYS 83 HZ3 LYS 83 23.473 4.653 7.392 643 H GLU 84 HN GLU 84 16.787 1.442 9.026 644 HA GLU 84 HA GLU 84 18.500 0.805 11.230 645 1HB GLU 84 HB2 GLU 84 16.265 1.751 11.580 646 2HB GLU 84 HB1 GLU 84 15.540 0.314 10.872 647 1HG GLU 84 HG2 GLU 84 15.662 -0.808 12.785 648 2HG GLU 84 HG1 GLU 84 17.344 -0.343 13.042 649 H GLN 85 HN GLN 85 16.357 -1.148 9.152 650 HA GLN 85 HA GLN 85 17.447 -3.595 10.271 651 1HB GLN 85 HB2 GLN 85 15.327 -3.080 8.183 652 2HB GLN 85 HB1 GLN 85 15.834 -4.691 8.677 653 1HG GLN 85 HG2 GLN 85 14.069 -4.471 10.059 654 2HG GLN 85 HG1 GLN 85 15.276 -3.694 11.080 655 1HE2 GLN 85 HE21 GLN 85 12.749 -3.066 8.705 656 2HE2 GLN 85 HE22 GLN 85 12.351 -1.485 9.278 657 H GLU 86 HN GLU 86 19.067 -1.710 8.551 658 HA GLU 86 HA GLU 86 19.640 -3.386 6.238 659 1HB GLU 86 HB2 GLU 86 19.708 -0.630 6.684 660 2HB GLU 86 HB1 GLU 86 21.397 -1.104 6.570 661 1HG GLU 86 HG2 GLU 86 19.320 -1.843 4.525 662 2HG GLU 86 HG1 GLU 86 20.334 -0.403 4.422 663 H GLN 87 HN GLN 87 20.856 -2.725 9.383 664 HA GLN 87 HA GLN 87 23.497 -3.786 8.785 665 1HB GLN 87 HB2 GLN 87 22.262 -2.684 11.307 666 2HB GLN 87 HB1 GLN 87 23.881 -3.366 11.250 667 1HG GLN 87 HG2 GLN 87 24.751 -1.573 10.215 668 2HG GLN 87 HG1 GLN 87 23.309 -1.306 9.235 669 1HE2 GLN 87 HE21 GLN 87 21.371 -0.559 10.559 670 2HE2 GLN 87 HE22 GLN 87 21.679 0.670 11.732 671 H GLN 88 HN GLN 88 20.773 -4.605 10.936 672 HA GLN 88 HA GLN 88 21.938 -7.222 11.444 673 1HB GLN 88 HB2 GLN 88 20.074 -5.486 12.786 674 2HB GLN 88 HB1 GLN 88 19.364 -7.083 12.582 675 1HG GLN 88 HG2 GLN 88 20.530 -6.877 14.709 676 2HG GLN 88 HG1 GLN 88 21.271 -8.100 13.677 677 1HE2 GLN 88 HE21 GLN 88 23.212 -7.949 14.822 678 2HE2 GLN 88 HE22 GLN 88 24.285 -6.609 14.628 679 H THR 89 HN THR 89 21.259 -9.105 10.601 680 HA THR 89 HA THR 89 19.205 -8.969 8.517 681 HB THR 89 HB THR 89 21.317 -9.859 7.768 682 HG1 THR 89 HG1 THR 89 19.287 -10.937 7.144 683 1HG2 THR 89 HG21 THR 89 22.510 -10.692 9.536 684 2HG2 THR 89 HG22 THR 89 21.965 -12.175 8.753 685 3HG2 THR 89 HG23 THR 89 21.134 -11.579 10.190 686 H GLU 90 HN GLU 90 17.997 -8.866 10.880 687 HA GLU 90 HA GLU 90 17.432 -11.366 12.092 688 1HB GLU 90 HB2 GLU 90 16.692 -8.634 12.470 689 2HB GLU 90 HB1 GLU 90 15.224 -9.600 12.437 690 1HG GLU 90 HG2 GLU 90 16.435 -11.119 14.115 691 2HG GLU 90 HG1 GLU 90 17.538 -9.760 14.323 692 H GLN 91 HN GLN 91 14.847 -11.841 12.241 693 HA GLN 91 HA GLN 91 14.178 -12.750 9.572 694 1HB GLN 91 HB2 GLN 91 13.569 -13.552 12.285 695 2HB GLN 91 HB1 GLN 91 12.101 -13.454 11.320 696 1HG GLN 91 HG2 GLN 91 12.828 -15.079 9.824 697 2HG GLN 91 HG1 GLN 91 14.514 -14.908 10.312 698 1HE2 GLN 91 HE21 GLN 91 15.294 -16.218 11.842 699 2HE2 GLN 91 HE22 GLN 91 14.355 -17.337 12.764 700 H ALA 92 HN ALA 92 12.434 -10.988 12.138 701 HA ALA 92 HA ALA 92 10.437 -10.076 10.267 702 1HB ALA 92 HB1 ALA 92 10.893 -9.555 13.193 703 2HB ALA 92 HB2 ALA 92 9.653 -10.562 12.448 704 3HB ALA 92 HB3 ALA 92 9.587 -8.809 12.274 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 -17.356 -5.896 -32.189 2 2H GLY 1 HT2 GLY 1 -18.294 -6.442 -33.488 3 3H GLY 1 HT3 GLY 1 -16.832 -7.209 -33.120 4 1HA GLY 1 HA1 GLY 1 -18.829 -8.462 -32.390 5 2HA GLY 1 HA2 GLY 1 -17.674 -8.105 -31.114 6 HA PRO 2 HA PRO 2 -21.405 -5.128 -30.428 7 1HB PRO 2 HB2 PRO 2 -23.673 -5.606 -31.810 8 2HB PRO 2 HB1 PRO 2 -22.381 -4.578 -32.441 9 1HG PRO 2 HG2 PRO 2 -22.997 -7.441 -33.062 10 2HG PRO 2 HG1 PRO 2 -22.549 -6.128 -34.167 11 1HD PRO 2 HD2 PRO 2 -20.778 -7.998 -33.284 12 2HD PRO 2 HD1 PRO 2 -20.306 -6.341 -33.708 13 H LEU 3 HN LEU 3 -21.516 -6.153 -28.452 14 HA LEU 3 HA LEU 3 -22.775 -8.669 -28.049 15 1HB LEU 3 HB2 LEU 3 -22.122 -6.477 -26.077 16 2HB LEU 3 HB1 LEU 3 -22.636 -8.096 -25.644 17 HG LEU 3 HG LEU 3 -20.484 -8.653 -27.212 18 1HD1 LEU 3 HD11 LEU 3 -18.885 -7.074 -27.202 19 2HD1 LEU 3 HD12 LEU 3 -19.307 -6.506 -25.588 20 3HD1 LEU 3 HD13 LEU 3 -20.239 -5.968 -26.984 21 1HD2 LEU 3 HD21 LEU 3 -19.504 -9.422 -25.277 22 2HD2 LEU 3 HD22 LEU 3 -21.190 -9.286 -24.777 23 3HD2 LEU 3 HD23 LEU 3 -20.033 -8.033 -24.329 24 H GLY 4 HN GLY 4 -24.692 -9.013 -26.691 25 1HA GLY 4 HA2 GLY 4 -26.780 -7.070 -27.406 26 2HA GLY 4 HA1 GLY 4 -27.050 -8.763 -27.023 27 H SER 5 HN SER 5 -25.588 -5.913 -25.455 28 HA SER 5 HA SER 5 -26.341 -6.811 -22.844 29 1HB SER 5 HB2 SER 5 -24.987 -4.401 -23.973 30 2HB SER 5 HB1 SER 5 -25.664 -4.292 -22.348 31 HG SER 5 HG SER 5 -24.008 -6.453 -23.080 32 HA PRO 6 HA PRO 6 -30.496 -5.086 -23.400 33 1HB PRO 6 HB2 PRO 6 -31.562 -6.205 -21.172 34 2HB PRO 6 HB1 PRO 6 -31.336 -7.107 -22.676 35 1HG PRO 6 HG2 PRO 6 -29.632 -7.072 -20.214 36 2HG PRO 6 HG1 PRO 6 -30.135 -8.453 -21.206 37 1HD PRO 6 HD2 PRO 6 -27.683 -7.320 -21.419 38 2HD PRO 6 HD1 PRO 6 -28.520 -8.059 -22.797 39 H ARG 7 HN ARG 7 -31.585 -3.381 -22.414 40 HA ARG 7 HA ARG 7 -30.016 -1.838 -20.548 41 1HB ARG 7 HB2 ARG 7 -31.742 -1.183 -22.579 42 2HB ARG 7 HB1 ARG 7 -32.721 -0.872 -21.153 43 1HG ARG 7 HG2 ARG 7 -30.693 0.453 -20.298 44 2HG ARG 7 HG1 ARG 7 -30.142 0.405 -21.974 45 1HD ARG 7 HD2 ARG 7 -32.788 1.162 -22.188 46 2HD ARG 7 HD1 ARG 7 -32.239 2.002 -20.739 47 HE ARG 7 HE ARG 7 -31.039 3.398 -22.077 48 1HH1 ARG 7 HH11 ARG 7 -31.660 0.460 -23.857 49 2HH1 ARG 7 HH12 ARG 7 -30.974 1.060 -25.329 50 1HH2 ARG 7 HH21 ARG 7 -30.133 4.186 -24.014 51 2HH2 ARG 7 HH22 ARG 7 -30.104 3.173 -25.418 52 H ASN 8 HN ASN 8 -31.281 -4.396 -19.675 53 HA ASN 8 HA ASN 8 -33.316 -3.596 -17.787 54 1HB ASN 8 HB2 ASN 8 -32.372 -6.070 -18.951 55 2HB ASN 8 HB1 ASN 8 -32.476 -6.214 -17.199 56 1HD2 ASN 8 HD21 ASN 8 -34.370 -4.727 -19.810 57 2HD2 ASN 8 HD22 ASN 8 -35.895 -5.344 -19.284 58 H ALA 9 HN ALA 9 -33.102 -4.091 -15.478 59 HA ALA 9 HA ALA 9 -30.689 -3.006 -14.416 60 1HB ALA 9 HB1 ALA 9 -32.342 -2.411 -13.005 61 2HB ALA 9 HB2 ALA 9 -31.957 -3.946 -12.227 62 3HB ALA 9 HB3 ALA 9 -33.305 -3.845 -13.359 63 H ASN 10 HN ASN 10 -28.928 -4.282 -14.737 64 HA ASN 10 HA ASN 10 -29.060 -7.064 -13.805 65 1HB ASN 10 HB2 ASN 10 -26.966 -7.386 -15.088 66 2HB ASN 10 HB1 ASN 10 -28.290 -6.818 -16.100 67 1HD2 ASN 10 HD21 ASN 10 -25.371 -6.633 -16.427 68 2HD2 ASN 10 HD22 ASN 10 -25.036 -4.952 -16.639 69 H ASP 11 HN ASP 11 -28.198 -7.555 -11.912 70 HA ASP 11 HA ASP 11 -26.453 -5.624 -10.587 71 1HB ASP 11 HB2 ASP 11 -28.101 -7.953 -9.652 72 2HB ASP 11 HB1 ASP 11 -26.799 -7.331 -8.642 73 H ASN 12 HN ASN 12 -24.344 -5.849 -10.910 74 HA ASN 12 HA ASN 12 -23.180 -8.322 -11.756 75 1HB ASN 12 HB2 ASN 12 -22.369 -5.550 -11.568 76 2HB ASN 12 HB1 ASN 12 -21.104 -6.613 -10.957 77 1HD2 ASN 12 HD21 ASN 12 -20.719 -5.101 -13.206 78 2HD2 ASN 12 HD22 ASN 12 -20.630 -6.132 -14.590 79 H ASN 13 HN ASN 13 -21.098 -9.062 -10.614 80 HA ASN 13 HA ASN 13 -21.847 -9.856 -7.956 81 1HB ASN 13 HB2 ASN 13 -20.505 -11.134 -9.872 82 2HB ASN 13 HB1 ASN 13 -19.133 -10.428 -9.029 83 1HD2 ASN 13 HD21 ASN 13 -18.680 -11.048 -6.932 84 2HD2 ASN 13 HD22 ASN 13 -19.343 -12.482 -6.233 85 H GLN 14 HN GLN 14 -20.280 -9.733 -6.134 86 HA GLN 14 HA GLN 14 -19.293 -7.004 -5.904 87 1HB GLN 14 HB2 GLN 14 -20.679 -8.467 -4.158 88 2HB GLN 14 HB1 GLN 14 -19.061 -8.936 -3.653 89 1HG GLN 14 HG2 GLN 14 -19.061 -7.118 -2.386 90 2HG GLN 14 HG1 GLN 14 -18.896 -6.193 -3.876 91 1HE2 GLN 14 HE21 GLN 14 -21.642 -7.979 -2.536 92 2HE2 GLN 14 HE22 GLN 14 -22.717 -6.630 -2.478 93 H PHE 15 HN PHE 15 -18.056 -10.294 -5.320 94 HA PHE 15 HA PHE 15 -15.337 -9.300 -5.149 95 1HB PHE 15 HB2 PHE 15 -16.192 -12.191 -5.156 96 2HB PHE 15 HB1 PHE 15 -14.722 -11.496 -4.485 97 HD1 PHE 15 HD1 PHE 15 -15.096 -9.748 -2.566 98 HD2 PHE 15 HD2 PHE 15 -17.937 -12.689 -3.746 99 HE1 PHE 15 HE1 PHE 15 -16.177 -9.582 -0.362 100 HE2 PHE 15 HE2 PHE 15 -19.025 -12.527 -1.545 101 HZ PHE 15 HZ PHE 15 -18.145 -10.972 0.150 102 H TYR 16 HN TYR 16 -16.742 -9.015 -7.711 103 HA TYR 16 HA TYR 16 -15.606 -10.986 -9.481 104 1HB TYR 16 HB2 TYR 16 -17.811 -9.763 -9.853 105 2HB TYR 16 HB1 TYR 16 -16.846 -8.361 -10.292 106 HD1 TYR 16 HD1 TYR 16 -17.344 -11.949 -11.167 107 HD2 TYR 16 HD2 TYR 16 -16.141 -8.090 -12.492 108 HE1 TYR 16 HE1 TYR 16 -17.163 -12.802 -13.465 109 HE2 TYR 16 HE2 TYR 16 -15.958 -8.931 -14.795 110 HH TYR 16 HH TYR 16 -15.523 -11.521 -15.779 111 H GLN 17 HN GLN 17 -14.980 -7.622 -8.612 112 HA GLN 17 HA GLN 17 -12.837 -7.338 -10.503 113 1HB GLN 17 HB2 GLN 17 -13.416 -5.575 -8.122 114 2HB GLN 17 HB1 GLN 17 -12.527 -5.148 -9.578 115 1HG GLN 17 HG2 GLN 17 -15.016 -5.969 -10.496 116 2HG GLN 17 HG1 GLN 17 -15.360 -5.036 -9.040 117 1HE2 GLN 17 HE21 GLN 17 -14.370 -4.943 -12.309 118 2HE2 GLN 17 HE22 GLN 17 -14.184 -3.231 -12.445 119 H GLN 18 HN GLN 18 -12.353 -9.604 -9.006 120 HA GLN 18 HA GLN 18 -10.715 -9.220 -6.753 121 1HB GLN 18 HB2 GLN 18 -11.607 -11.412 -8.370 122 2HB GLN 18 HB1 GLN 18 -9.873 -11.563 -8.116 123 1HG GLN 18 HG2 GLN 18 -10.119 -11.635 -5.778 124 2HG GLN 18 HG1 GLN 18 -11.794 -11.089 -5.861 125 1HE2 GLN 18 HE21 GLN 18 -13.401 -12.539 -6.434 126 2HE2 GLN 18 HE22 GLN 18 -13.144 -14.248 -6.448 127 H LYS 19 HN LYS 19 -9.830 -9.957 -10.127 128 HA LYS 19 HA LYS 19 -7.064 -9.568 -9.715 129 1HB LYS 19 HB2 LYS 19 -8.495 -10.674 -11.707 130 2HB LYS 19 HB1 LYS 19 -8.159 -9.104 -12.426 131 1HG LYS 19 HG2 LYS 19 -5.704 -9.729 -11.546 132 2HG LYS 19 HG1 LYS 19 -6.344 -11.349 -11.834 133 1HD LYS 19 HD2 LYS 19 -7.061 -9.678 -14.032 134 2HD LYS 19 HD1 LYS 19 -5.335 -9.492 -13.721 135 1HE LYS 19 HE2 LYS 19 -4.860 -11.619 -14.321 136 2HE LYS 19 HE1 LYS 19 -6.364 -12.253 -13.659 137 1HZ LYS 19 HZ1 LYS 19 -7.289 -12.208 -15.658 138 2HZ LYS 19 HZ2 LYS 19 -5.780 -11.814 -16.312 139 3HZ LYS 19 HZ3 LYS 19 -6.868 -10.587 -15.902 140 H GLN 20 HN GLN 20 -9.685 -7.424 -10.396 141 HA GLN 20 HA GLN 20 -8.062 -5.238 -11.293 142 1HB GLN 20 HB2 GLN 20 -10.889 -5.782 -10.972 143 2HB GLN 20 HB1 GLN 20 -10.482 -4.186 -10.354 144 1HG GLN 20 HG2 GLN 20 -9.145 -4.448 -12.810 145 2HG GLN 20 HG1 GLN 20 -10.778 -5.062 -13.059 146 1HE2 GLN 20 HE21 GLN 20 -8.821 -2.308 -12.636 147 2HE2 GLN 20 HE22 GLN 20 -10.074 -1.119 -12.682 148 H ARG 21 HN ARG 21 -9.800 -5.977 -8.269 149 HA ARG 21 HA ARG 21 -9.214 -3.766 -6.768 150 1HB ARG 21 HB2 ARG 21 -10.164 -6.353 -6.246 151 2HB ARG 21 HB1 ARG 21 -8.829 -6.100 -5.131 152 1HG ARG 21 HG2 ARG 21 -9.909 -3.907 -4.523 153 2HG ARG 21 HG1 ARG 21 -11.316 -4.443 -5.439 154 1HD ARG 21 HD2 ARG 21 -11.320 -6.506 -3.980 155 2HD ARG 21 HD1 ARG 21 -10.118 -5.693 -2.978 156 HE ARG 21 HE ARG 21 -11.744 -4.177 -2.275 157 1HH1 ARG 21 HH11 ARG 21 -13.062 -6.439 -4.586 158 2HH1 ARG 21 HH12 ARG 21 -14.704 -6.021 -4.238 159 1HH2 ARG 21 HH21 ARG 21 -13.900 -3.624 -1.828 160 2HH2 ARG 21 HH22 ARG 21 -15.181 -4.424 -2.676 161 H GLN 22 HN GLN 22 -7.236 -6.740 -6.670 162 HA GLN 22 HA GLN 22 -5.094 -5.464 -5.323 163 1HB GLN 22 HB2 GLN 22 -5.359 -8.092 -6.761 164 2HB GLN 22 HB1 GLN 22 -3.820 -7.563 -6.094 165 1HG GLN 22 HG2 GLN 22 -5.351 -7.193 -3.944 166 2HG GLN 22 HG1 GLN 22 -6.271 -8.480 -4.725 167 1HE2 GLN 22 HE21 GLN 22 -5.611 -10.506 -4.470 168 2HE2 GLN 22 HE22 GLN 22 -4.105 -10.991 -3.776 169 H ALA 23 HN ALA 23 -6.034 -5.555 -8.617 170 HA ALA 23 HA ALA 23 -3.586 -5.370 -9.940 171 1HB ALA 23 HB1 ALA 23 -5.543 -3.617 -11.133 172 2HB ALA 23 HB2 ALA 23 -6.269 -5.144 -10.647 173 3HB ALA 23 HB3 ALA 23 -4.881 -5.138 -11.733 174 H LEU 24 HN LEU 24 -5.707 -2.578 -9.401 175 HA LEU 24 HA LEU 24 -3.639 -0.698 -9.718 176 1HB LEU 24 HB2 LEU 24 -6.459 -0.646 -8.831 177 2HB LEU 24 HB1 LEU 24 -5.477 0.729 -8.381 178 HG LEU 24 HG LEU 24 -6.680 1.172 -10.446 179 1HD1 LEU 24 HD11 LEU 24 -3.750 0.738 -11.015 180 2HD1 LEU 24 HD12 LEU 24 -4.421 2.122 -10.155 181 3HD1 LEU 24 HD13 LEU 24 -4.836 1.852 -11.844 182 1HD2 LEU 24 HD21 LEU 24 -5.764 -0.239 -12.470 183 2HD2 LEU 24 HD22 LEU 24 -7.126 -0.806 -11.504 184 3HD2 LEU 24 HD23 LEU 24 -5.511 -1.452 -11.216 185 H GLY 25 HN GLY 25 -4.941 -2.340 -6.893 186 1HA GLY 25 HA2 GLY 25 -3.754 -0.739 -4.910 187 2HA GLY 25 HA1 GLY 25 -4.169 -2.440 -4.724 188 H GLU 26 HN GLU 26 -2.518 -3.542 -6.707 189 HA GLU 26 HA GLU 26 -0.104 -3.876 -5.352 190 1HB GLU 26 HB2 GLU 26 -1.278 -4.851 -7.759 191 2HB GLU 26 HB1 GLU 26 0.346 -4.302 -8.143 192 1HG GLU 26 HG2 GLU 26 0.981 -5.674 -6.005 193 2HG GLU 26 HG1 GLU 26 -0.536 -6.502 -6.350 194 H GLN 27 HN GLN 27 -1.157 -1.455 -7.609 195 HA GLN 27 HA GLN 27 1.346 -0.477 -8.420 196 1HB GLN 27 HB2 GLN 27 -1.421 0.406 -8.559 197 2HB GLN 27 HB1 GLN 27 -0.311 1.748 -8.342 198 1HG GLN 27 HG2 GLN 27 0.574 -0.151 -10.357 199 2HG GLN 27 HG1 GLN 27 -0.994 0.561 -10.719 200 1HE2 GLN 27 HE21 GLN 27 1.186 1.031 -12.315 201 2HE2 GLN 27 HE22 GLN 27 1.665 2.685 -12.166 202 H LEU 28 HN LEU 28 -0.605 0.059 -5.554 203 HA LEU 28 HA LEU 28 0.689 2.298 -4.489 204 1HB LEU 28 HB2 LEU 28 -1.368 0.818 -3.646 205 2HB LEU 28 HB1 LEU 28 -0.124 0.114 -2.632 206 HG LEU 28 HG LEU 28 0.404 2.514 -1.893 207 1HD1 LEU 28 HD11 LEU 28 -1.164 3.298 -3.866 208 2HD1 LEU 28 HD12 LEU 28 -0.998 4.230 -2.383 209 3HD1 LEU 28 HD13 LEU 28 -2.385 3.179 -2.610 210 1HD2 LEU 28 HD21 LEU 28 -0.550 1.398 -0.168 211 2HD2 LEU 28 HD22 LEU 28 -1.903 0.823 -1.140 212 3HD2 LEU 28 HD23 LEU 28 -1.904 2.474 -0.519 213 H TYR 29 HN TYR 29 1.513 -1.125 -4.349 214 HA TYR 29 HA TYR 29 3.747 -0.750 -2.586 215 1HB TYR 29 HB2 TYR 29 2.650 -2.878 -2.549 216 2HB TYR 29 HB1 TYR 29 2.863 -3.085 -4.284 217 HD1 TYR 29 HD1 TYR 29 4.891 -2.631 -1.175 218 HD2 TYR 29 HD2 TYR 29 4.617 -4.390 -5.040 219 HE1 TYR 29 HE1 TYR 29 7.009 -3.820 -0.776 220 HE2 TYR 29 HE2 TYR 29 6.729 -5.587 -4.650 221 HH TYR 29 HH TYR 29 8.140 -6.312 -2.884 222 H LYS 30 HN LYS 30 3.484 -1.448 -6.088 223 HA LYS 30 HA LYS 30 6.264 -1.433 -6.558 224 1HB LYS 30 HB2 LYS 30 5.741 -1.385 -8.892 225 2HB LYS 30 HB1 LYS 30 4.548 -2.401 -8.095 226 1HG LYS 30 HG2 LYS 30 3.014 -0.430 -8.079 227 2HG LYS 30 HG1 LYS 30 4.189 0.413 -9.087 228 1HD LYS 30 HD2 LYS 30 3.530 -2.247 -10.084 229 2HD LYS 30 HD1 LYS 30 2.130 -1.178 -9.998 230 1HE LYS 30 HE2 LYS 30 3.247 0.475 -11.344 231 2HE LYS 30 HE1 LYS 30 4.742 -0.459 -11.320 232 1HZ LYS 30 HZ1 LYS 30 4.017 -1.330 -13.218 233 2HZ LYS 30 HZ2 LYS 30 2.448 -0.738 -13.010 234 3HZ LYS 30 HZ3 LYS 30 2.899 -2.204 -12.299 235 H LYS 31 HN LYS 31 3.871 1.145 -6.554 236 HA LYS 31 HA LYS 31 5.418 3.131 -7.799 237 1HB LYS 31 HB2 LYS 31 2.905 3.128 -7.096 238 2HB LYS 31 HB1 LYS 31 3.505 3.775 -5.577 239 1HG LYS 31 HG2 LYS 31 3.409 5.787 -6.492 240 2HG LYS 31 HG1 LYS 31 4.739 5.308 -7.546 241 1HD LYS 31 HD2 LYS 31 2.582 4.187 -8.798 242 2HD LYS 31 HD1 LYS 31 1.893 5.673 -8.142 243 1HE LYS 31 HE2 LYS 31 3.123 7.000 -9.502 244 2HE LYS 31 HE1 LYS 31 4.521 5.926 -9.461 245 1HZ LYS 31 HZ1 LYS 31 3.137 4.396 -10.905 246 2HZ LYS 31 HZ2 LYS 31 3.714 5.807 -11.636 247 3HZ LYS 31 HZ3 LYS 31 2.099 5.712 -11.144 248 H VAL 32 HN VAL 32 5.259 2.008 -4.479 249 HA VAL 32 HA VAL 32 7.070 4.054 -3.550 250 HB VAL 32 HB VAL 32 7.035 2.835 -1.406 251 1HG1 VAL 32 HG11 VAL 32 4.546 3.161 -0.991 252 2HG1 VAL 32 HG12 VAL 32 4.443 3.594 -2.697 253 3HG1 VAL 32 HG13 VAL 32 5.446 4.548 -1.607 254 1HG2 VAL 32 HG21 VAL 32 6.654 0.571 -2.434 255 2HG2 VAL 32 HG22 VAL 32 4.963 1.029 -2.608 256 3HG2 VAL 32 HG23 VAL 32 5.699 0.939 -1.008 257 H SER 33 HN SER 33 7.198 0.572 -4.250 258 HA SER 33 HA SER 33 9.982 0.359 -3.602 259 1HB SER 33 HB2 SER 33 7.850 -1.439 -4.133 260 2HB SER 33 HB1 SER 33 9.114 -1.770 -5.316 261 HG SER 33 HG SER 33 10.439 -2.387 -3.757 262 H ALA 34 HN ALA 34 8.643 2.084 -5.930 263 HA ALA 34 HA ALA 34 9.754 1.238 -8.344 264 1HB ALA 34 HB1 ALA 34 9.215 4.071 -7.466 265 2HB ALA 34 HB2 ALA 34 8.021 2.972 -8.156 266 3HB ALA 34 HB3 ALA 34 9.395 3.503 -9.125 267 H LYS 35 HN LYS 35 11.339 2.263 -5.557 268 HA LYS 35 HA LYS 35 13.664 3.235 -7.057 269 1HB LYS 35 HB2 LYS 35 12.449 4.143 -4.718 270 2HB LYS 35 HB1 LYS 35 13.907 3.332 -4.161 271 1HG LYS 35 HG2 LYS 35 15.300 4.822 -5.209 272 2HG LYS 35 HG1 LYS 35 14.098 5.256 -6.426 273 1HD LYS 35 HD2 LYS 35 12.920 6.631 -4.925 274 2HD LYS 35 HD1 LYS 35 13.737 5.939 -3.523 275 1HE LYS 35 HE2 LYS 35 15.883 6.892 -4.535 276 2HE LYS 35 HE1 LYS 35 14.824 7.835 -5.582 277 1HZ LYS 35 HZ1 LYS 35 15.427 8.183 -2.787 278 2HZ LYS 35 HZ2 LYS 35 13.776 8.278 -3.138 279 3HZ LYS 35 HZ3 LYS 35 14.867 9.306 -3.920 280 H THR 36 HN THR 36 12.484 0.475 -5.434 281 HA THR 36 HA THR 36 14.736 -1.081 -6.036 282 HB THR 36 HB THR 36 15.793 0.195 -4.216 283 HG1 THR 36 HG1 THR 36 15.812 -2.364 -4.479 284 1HG2 THR 36 HG21 THR 36 13.384 -0.632 -2.718 285 2HG2 THR 36 HG22 THR 36 14.335 0.850 -2.619 286 3HG2 THR 36 HG23 THR 36 14.923 -0.628 -1.856 287 H SER 37 HN SER 37 14.466 -3.306 -5.482 288 HA SER 37 HA SER 37 11.696 -4.038 -5.087 289 1HB SER 37 HB2 SER 37 12.624 -6.388 -5.442 290 2HB SER 37 HB1 SER 37 12.817 -5.265 -6.787 291 HG SER 37 HG SER 37 14.942 -5.096 -6.365 292 H ASN 38 HN ASN 38 12.836 -2.844 -2.843 293 HA ASN 38 HA ASN 38 13.564 -4.850 -0.909 294 1HB ASN 38 HB2 ASN 38 14.169 -2.272 -1.071 295 2HB ASN 38 HB1 ASN 38 12.702 -2.112 -0.125 296 1HD2 ASN 38 HD21 ASN 38 12.778 -4.209 1.549 297 2HD2 ASN 38 HD22 ASN 38 14.161 -4.128 2.575 298 H GLU 39 HN GLU 39 11.939 -6.276 -0.478 299 HA GLU 39 HA GLU 39 9.198 -5.692 -0.474 300 1HB GLU 39 HB2 GLU 39 10.581 -7.882 1.079 301 2HB GLU 39 HB1 GLU 39 8.891 -7.845 0.595 302 1HG GLU 39 HG2 GLU 39 10.267 -7.529 -1.781 303 2HG GLU 39 HG1 GLU 39 11.229 -8.701 -0.880 304 H GLU 40 HN GLU 40 11.602 -5.354 2.030 305 HA GLU 40 HA GLU 40 9.655 -4.988 4.132 306 1HB GLU 40 HB2 GLU 40 12.653 -4.631 4.066 307 2HB GLU 40 HB1 GLU 40 11.670 -4.378 5.502 308 1HG GLU 40 HG2 GLU 40 12.006 -6.518 5.960 309 2HG GLU 40 HG1 GLU 40 10.904 -6.879 4.632 310 H ALA 41 HN ALA 41 11.339 -3.014 1.856 311 HA ALA 41 HA ALA 41 11.026 -0.515 3.250 312 1HB ALA 41 HB1 ALA 41 12.033 0.459 1.427 313 2HB ALA 41 HB2 ALA 41 11.475 -0.776 0.313 314 3HB ALA 41 HB3 ALA 41 12.761 -1.138 1.467 315 H ALA 42 HN ALA 42 9.758 -1.561 0.112 316 HA ALA 42 HA ALA 42 7.762 0.368 -0.062 317 1HB ALA 42 HB1 ALA 42 8.245 -2.248 -1.410 318 2HB ALA 42 HB2 ALA 42 8.302 -0.614 -2.071 319 3HB ALA 42 HB3 ALA 42 6.749 -1.363 -1.707 320 H GLY 43 HN GLY 43 7.673 -2.907 1.287 321 1HA GLY 43 HA2 GLY 43 4.868 -2.995 1.687 322 2HA GLY 43 HA1 GLY 43 6.060 -3.984 2.522 323 H LYS 44 HN LYS 44 7.467 -1.496 3.413 324 HA LYS 44 HA LYS 44 6.114 -1.204 5.910 325 1HB LYS 44 HB2 LYS 44 8.701 -0.712 4.909 326 2HB LYS 44 HB1 LYS 44 8.097 0.843 5.453 327 1HG LYS 44 HG2 LYS 44 7.943 -1.592 7.193 328 2HG LYS 44 HG1 LYS 44 9.391 -0.587 7.119 329 1HD LYS 44 HD2 LYS 44 8.429 0.643 8.721 330 2HD LYS 44 HD1 LYS 44 7.380 1.261 7.445 331 1HE LYS 44 HE2 LYS 44 6.330 -1.230 8.299 332 2HE LYS 44 HE1 LYS 44 6.688 -0.276 9.739 333 1HZ LYS 44 HZ1 LYS 44 5.333 1.489 8.937 334 2HZ LYS 44 HZ2 LYS 44 4.426 0.066 8.819 335 3HZ LYS 44 HZ3 LYS 44 5.123 0.742 7.434 336 H ILE 45 HN ILE 45 7.198 1.364 3.720 337 HA ILE 45 HA ILE 45 5.514 3.335 4.704 338 HB ILE 45 HB ILE 45 5.994 4.578 2.662 339 1HG1 ILE 45 HG12 ILE 45 7.278 2.024 1.705 340 2HG1 ILE 45 HG11 ILE 45 5.821 2.763 1.039 341 1HG2 ILE 45 HG21 ILE 45 8.592 3.295 3.204 342 2HG2 ILE 45 HG22 ILE 45 7.720 3.935 4.597 343 3HG2 ILE 45 HG23 ILE 45 8.134 4.996 3.251 344 1HD1 ILE 45 HD11 ILE 45 8.320 3.143 0.078 345 2HD1 ILE 45 HD12 ILE 45 8.147 4.536 1.149 346 3HD1 ILE 45 HD13 ILE 45 6.977 4.266 -0.143 347 H THR 46 HN THR 46 4.924 0.965 2.146 348 HA THR 46 HA THR 46 2.572 2.126 1.118 349 HB THR 46 HB THR 46 3.403 -0.784 1.260 350 HG1 THR 46 HG1 THR 46 4.292 -0.435 -0.651 351 1HG2 THR 46 HG21 THR 46 1.698 -1.435 -0.093 352 2HG2 THR 46 HG22 THR 46 1.484 0.172 -0.787 353 3HG2 THR 46 HG23 THR 46 0.869 -0.181 0.827 354 H GLY 47 HN GLY 47 3.229 0.160 3.933 355 1HA GLY 47 HA2 GLY 47 0.599 -0.582 4.582 356 2HA GLY 47 HA1 GLY 47 1.929 -0.433 5.723 357 H MET 48 HN MET 48 2.361 2.407 5.063 358 HA MET 48 HA MET 48 0.471 3.500 6.920 359 1HB MET 48 HB2 MET 48 2.650 4.772 5.259 360 2HB MET 48 HB1 MET 48 1.629 5.680 6.367 361 1HG MET 48 HG2 MET 48 2.512 4.624 8.242 362 2HG MET 48 HG1 MET 48 3.175 3.294 7.297 363 1HE MET 48 HE1 MET 48 5.320 2.978 6.900 364 2HE MET 48 HE2 MET 48 5.818 3.611 8.469 365 3HE MET 48 HE3 MET 48 6.671 4.107 7.008 366 H ILE 49 HN ILE 49 1.010 3.674 3.429 367 HA ILE 49 HA ILE 49 -1.240 5.440 3.015 368 HB ILE 49 HB ILE 49 0.295 3.875 0.937 369 1HG1 ILE 49 HG12 ILE 49 0.931 6.716 1.185 370 2HG1 ILE 49 HG11 ILE 49 1.363 5.797 2.625 371 1HG2 ILE 49 HG21 ILE 49 -1.778 5.981 0.873 372 2HG2 ILE 49 HG22 ILE 49 -1.466 4.656 -0.249 373 3HG2 ILE 49 HG23 ILE 49 -0.470 6.111 -0.304 374 1HD1 ILE 49 HD11 ILE 49 2.449 4.167 0.910 375 2HD1 ILE 49 HD12 ILE 49 3.280 5.650 1.380 376 3HD1 ILE 49 HD13 ILE 49 2.409 5.575 -0.151 377 H LEU 50 HN LEU 50 -1.132 2.402 3.989 378 HA LEU 50 HA LEU 50 -2.952 1.116 2.168 379 1HB LEU 50 HB2 LEU 50 -1.205 0.288 4.194 380 2HB LEU 50 HB1 LEU 50 -2.804 -0.094 4.798 381 HG LEU 50 HG LEU 50 -2.030 -2.041 3.712 382 1HD1 LEU 50 HD11 LEU 50 -3.700 -0.782 1.566 383 2HD1 LEU 50 HD12 LEU 50 -4.372 -1.182 3.147 384 3HD1 LEU 50 HD13 LEU 50 -3.692 -2.453 2.130 385 1HD2 LEU 50 HD21 LEU 50 -0.422 -0.405 2.265 386 2HD2 LEU 50 HD22 LEU 50 -1.592 -0.902 1.047 387 3HD2 LEU 50 HD23 LEU 50 -0.670 -2.116 1.933 388 H ASP 51 HN ASP 51 -3.525 3.662 3.929 389 HA ASP 51 HA ASP 51 -5.783 2.876 5.511 390 1HB ASP 51 HB2 ASP 51 -4.623 5.538 4.701 391 2HB ASP 51 HB1 ASP 51 -6.140 5.419 5.586 392 H LEU 52 HN LEU 52 -5.223 3.721 2.210 393 HA LEU 52 HA LEU 52 -7.983 4.461 1.722 394 1HB LEU 52 HB2 LEU 52 -5.520 4.233 0.027 395 2HB LEU 52 HB1 LEU 52 -7.102 4.415 -0.707 396 HG LEU 52 HG LEU 52 -7.410 6.553 0.440 397 1HD1 LEU 52 HD11 LEU 52 -5.687 7.574 1.745 398 2HD1 LEU 52 HD12 LEU 52 -4.582 6.237 1.432 399 3HD1 LEU 52 HD13 LEU 52 -6.014 5.983 2.430 400 1HD2 LEU 52 HD21 LEU 52 -5.732 6.011 -1.686 401 2HD2 LEU 52 HD22 LEU 52 -4.788 7.095 -0.666 402 3HD2 LEU 52 HD23 LEU 52 -6.382 7.588 -1.240 403 HA PRO 53 HA PRO 53 -9.413 0.215 1.385 404 1HB PRO 53 HB2 PRO 53 -11.229 1.619 -0.536 405 2HB PRO 53 HB1 PRO 53 -11.618 0.425 0.706 406 1HG PRO 53 HG2 PRO 53 -12.062 3.030 1.106 407 2HG PRO 53 HG1 PRO 53 -11.518 1.972 2.419 408 1HD PRO 53 HD2 PRO 53 -10.034 4.069 0.951 409 2HD PRO 53 HD1 PRO 53 -9.766 3.423 2.582 410 HA PRO 54 HA PRO 54 -7.783 -1.662 -2.247 411 1HB PRO 54 HB2 PRO 54 -10.543 -2.594 -2.915 412 2HB PRO 54 HB1 PRO 54 -9.037 -3.516 -2.809 413 1HG PRO 54 HG2 PRO 54 -10.798 -3.674 -0.841 414 2HG PRO 54 HG1 PRO 54 -9.068 -3.543 -0.473 415 1HD PRO 54 HD2 PRO 54 -11.198 -1.445 -0.341 416 2HD PRO 54 HD1 PRO 54 -9.842 -1.746 0.766 417 H GLN 55 HN GLN 55 -11.078 -0.685 -3.243 418 HA GLN 55 HA GLN 55 -10.102 0.206 -5.798 419 1HB GLN 55 HB2 GLN 55 -12.832 0.851 -4.721 420 2HB GLN 55 HB1 GLN 55 -12.330 0.638 -6.392 421 1HG GLN 55 HG2 GLN 55 -11.774 -1.809 -5.401 422 2HG GLN 55 HG1 GLN 55 -13.147 -1.351 -4.392 423 1HE2 GLN 55 HE21 GLN 55 -12.147 -2.508 -7.405 424 2HE2 GLN 55 HE22 GLN 55 -13.679 -2.482 -8.202 425 H GLU 56 HN GLU 56 -11.259 1.781 -2.849 426 HA GLU 56 HA GLU 56 -11.336 4.421 -3.730 427 1HB GLU 56 HB2 GLU 56 -12.230 3.637 -1.567 428 2HB GLU 56 HB1 GLU 56 -10.588 3.411 -0.982 429 1HG GLU 56 HG2 GLU 56 -11.003 5.445 -0.090 430 2HG GLU 56 HG1 GLU 56 -10.386 5.961 -1.657 431 H VAL 57 HN VAL 57 -8.615 2.415 -3.199 432 HA VAL 57 HA VAL 57 -6.788 4.638 -2.809 433 HB VAL 57 HB VAL 57 -6.487 2.460 -1.629 434 1HG1 VAL 57 HG11 VAL 57 -5.107 1.079 -3.720 435 2HG1 VAL 57 HG12 VAL 57 -6.764 1.407 -4.217 436 3HG1 VAL 57 HG13 VAL 57 -6.451 0.532 -2.720 437 1HG2 VAL 57 HG21 VAL 57 -4.516 4.047 -2.990 438 2HG2 VAL 57 HG22 VAL 57 -3.964 2.383 -2.809 439 3HG2 VAL 57 HG23 VAL 57 -4.455 3.307 -1.391 440 H PHE 58 HN PHE 58 -7.911 2.569 -5.365 441 HA PHE 58 HA PHE 58 -5.982 2.589 -7.266 442 1HB PHE 58 HB2 PHE 58 -8.949 3.017 -7.571 443 2HB PHE 58 HB1 PHE 58 -7.882 2.875 -8.958 444 HD1 PHE 58 HD1 PHE 58 -6.920 0.882 -6.127 445 HD2 PHE 58 HD2 PHE 58 -9.400 1.010 -9.580 446 HE1 PHE 58 HE1 PHE 58 -7.156 -1.565 -6.048 447 HE2 PHE 58 HE2 PHE 58 -9.630 -1.433 -9.517 448 HZ PHE 58 HZ PHE 58 -8.506 -2.715 -7.756 449 HA PRO 59 HA PRO 59 -7.340 7.058 -8.750 450 1HB PRO 59 HB2 PRO 59 -8.267 8.201 -6.184 451 2HB PRO 59 HB1 PRO 59 -8.948 8.371 -7.804 452 1HG PRO 59 HG2 PRO 59 -10.142 6.863 -5.947 453 2HG PRO 59 HG1 PRO 59 -10.139 6.395 -7.658 454 1HD PRO 59 HD2 PRO 59 -8.479 5.349 -5.400 455 2HD PRO 59 HD1 PRO 59 -9.220 4.477 -6.754 456 H LEU 60 HN LEU 60 -6.112 6.439 -5.516 457 HA LEU 60 HA LEU 60 -4.397 8.746 -5.495 458 1HB LEU 60 HB2 LEU 60 -5.151 8.075 -3.387 459 2HB LEU 60 HB1 LEU 60 -4.785 6.388 -3.687 460 HG LEU 60 HG LEU 60 -2.341 7.845 -3.832 461 1HD1 LEU 60 HD11 LEU 60 -2.522 9.472 -2.375 462 2HD1 LEU 60 HD12 LEU 60 -2.850 8.279 -1.120 463 3HD1 LEU 60 HD13 LEU 60 -4.184 9.021 -2.003 464 1HD2 LEU 60 HD21 LEU 60 -3.540 5.733 -2.094 465 2HD2 LEU 60 HD22 LEU 60 -1.986 6.446 -1.666 466 3HD2 LEU 60 HD23 LEU 60 -2.182 5.627 -3.216 467 H LEU 61 HN LEU 61 -3.795 5.225 -5.634 468 HA LEU 61 HA LEU 61 -1.024 5.467 -6.008 469 1HB LEU 61 HB2 LEU 61 -1.209 3.089 -6.906 470 2HB LEU 61 HB1 LEU 61 -1.719 3.384 -5.261 471 HG LEU 61 HG LEU 61 -4.092 3.635 -6.412 472 1HD1 LEU 61 HD11 LEU 61 -4.152 1.755 -8.162 473 2HD1 LEU 61 HD12 LEU 61 -2.433 2.091 -8.356 474 3HD1 LEU 61 HD13 LEU 61 -3.619 3.360 -8.656 475 1HD2 LEU 61 HD21 LEU 61 -4.327 1.114 -6.072 476 2HD2 LEU 61 HD22 LEU 61 -3.804 2.080 -4.693 477 3HD2 LEU 61 HD23 LEU 61 -2.625 1.147 -5.611 478 H GLU 62 HN GLU 62 -3.394 6.366 -8.193 479 HA GLU 62 HA GLU 62 -1.724 5.659 -10.500 480 1HB GLU 62 HB2 GLU 62 -3.640 6.103 -11.891 481 2HB GLU 62 HB1 GLU 62 -4.127 5.031 -10.586 482 1HG GLU 62 HG2 GLU 62 -5.681 6.450 -9.907 483 2HG GLU 62 HG1 GLU 62 -4.521 7.774 -9.827 484 H SER 63 HN SER 63 -2.455 8.230 -8.433 485 HA SER 63 HA SER 63 -1.583 10.212 -10.423 486 1HB SER 63 HB2 SER 63 -3.117 10.552 -7.837 487 2HB SER 63 HB1 SER 63 -2.525 11.895 -8.816 488 HG SER 63 HG SER 63 -4.798 10.715 -9.092 489 H ASP 64 HN ASP 64 0.416 10.973 -10.254 490 HA ASP 64 HA ASP 64 2.228 10.142 -8.280 491 1HB ASP 64 HB2 ASP 64 2.263 12.088 -10.523 492 2HB ASP 64 HB1 ASP 64 3.495 12.289 -9.281 493 H GLU 65 HN GLU 65 0.615 13.276 -8.746 494 HA GLU 65 HA GLU 65 1.763 14.619 -6.588 495 1HB GLU 65 HB2 GLU 65 -0.814 14.945 -8.087 496 2HB GLU 65 HB1 GLU 65 -0.466 15.955 -6.690 497 1HG GLU 65 HG2 GLU 65 1.588 15.736 -8.824 498 2HG GLU 65 HG1 GLU 65 0.152 16.711 -9.129 499 H LEU 66 HN LEU 66 -1.401 12.974 -6.723 500 HA LEU 66 HA LEU 66 -2.079 13.361 -4.038 501 1HB LEU 66 HB2 LEU 66 -3.277 12.226 -6.232 502 2HB LEU 66 HB1 LEU 66 -3.005 10.835 -5.199 503 HG LEU 66 HG LEU 66 -5.217 11.703 -4.803 504 1HD1 LEU 66 HD11 LEU 66 -3.539 12.564 -2.466 505 2HD1 LEU 66 HD12 LEU 66 -3.762 10.870 -2.906 506 3HD1 LEU 66 HD13 LEU 66 -5.156 11.855 -2.458 507 1HD2 LEU 66 HD21 LEU 66 -4.230 14.139 -5.415 508 2HD2 LEU 66 HD22 LEU 66 -4.308 14.260 -3.658 509 3HD2 LEU 66 HD23 LEU 66 -5.762 13.880 -4.580 510 H PHE 67 HN PHE 67 0.028 11.062 -5.556 511 HA PHE 67 HA PHE 67 0.125 9.246 -3.337 512 1HB PHE 67 HB2 PHE 67 0.699 8.798 -5.841 513 2HB PHE 67 HB1 PHE 67 2.289 9.421 -5.407 514 HD1 PHE 67 HD1 PHE 67 3.869 7.824 -4.862 515 HD2 PHE 67 HD2 PHE 67 -0.231 7.074 -3.999 516 HE1 PHE 67 HE1 PHE 67 4.463 5.614 -3.966 517 HE2 PHE 67 HE2 PHE 67 0.367 4.871 -3.107 518 HZ PHE 67 HZ PHE 67 2.701 4.133 -3.086 519 H GLU 68 HN GLU 68 2.416 11.605 -4.682 520 HA GLU 68 HA GLU 68 4.517 11.395 -2.995 521 1HB GLU 68 HB2 GLU 68 3.242 13.771 -4.289 522 2HB GLU 68 HB1 GLU 68 4.611 14.000 -3.210 523 1HG GLU 68 HG2 GLU 68 6.070 13.262 -4.720 524 2HG GLU 68 HG1 GLU 68 5.047 11.901 -5.177 525 H GLN 69 HN GLN 69 1.558 13.248 -2.303 526 HA GLN 69 HA GLN 69 2.344 14.300 0.161 527 1HB GLN 69 HB2 GLN 69 -0.468 13.490 -0.583 528 2HB GLN 69 HB1 GLN 69 0.014 14.723 0.575 529 1HG GLN 69 HG2 GLN 69 1.137 15.879 -1.413 530 2HG GLN 69 HG1 GLN 69 0.173 14.793 -2.413 531 1HE2 GLN 69 HE21 GLN 69 -0.103 17.128 0.227 532 2HE2 GLN 69 HE22 GLN 69 -1.650 17.741 -0.241 533 H HIS 70 HN HIS 70 0.209 11.497 -0.355 534 HA HIS 70 HA HIS 70 0.261 10.668 2.341 535 1HB HIS 70 HB2 HIS 70 -0.636 9.478 -0.222 536 2HB HIS 70 HB1 HIS 70 -0.298 8.344 1.083 537 HD2 HIS 70 HD2 HIS 70 -3.164 10.430 -0.147 538 HE1 HIS 70 HE1 HIS 70 -3.949 9.735 3.965 539 HE2 HIS 70 HE2 HIS 70 -4.912 10.480 1.758 540 H TYR 71 HN TYR 71 2.058 9.465 -0.483 541 HA TYR 71 HA TYR 71 3.615 7.598 0.935 542 1HB TYR 71 HB2 TYR 71 3.598 7.187 -1.335 543 2HB TYR 71 HB1 TYR 71 3.736 8.886 -1.755 544 HD1 TYR 71 HD1 TYR 71 5.760 9.717 -2.496 545 HD2 TYR 71 HD2 TYR 71 5.720 6.083 -0.285 546 HE1 TYR 71 HE1 TYR 71 8.155 9.420 -2.957 547 HE2 TYR 71 HE2 TYR 71 8.120 5.779 -0.739 548 HH TYR 71 HH TYR 71 9.825 7.724 -3.015 549 H LYS 72 HN LYS 72 3.704 10.990 0.992 550 HA LYS 72 HA LYS 72 6.483 11.452 1.266 551 1HB LYS 72 HB2 LYS 72 4.930 13.285 0.803 552 2HB LYS 72 HB1 LYS 72 4.151 13.038 2.357 553 1HG LYS 72 HG2 LYS 72 5.600 14.926 2.517 554 2HG LYS 72 HG1 LYS 72 6.293 13.606 3.463 555 1HD LYS 72 HD2 LYS 72 7.935 13.163 1.835 556 2HD LYS 72 HD1 LYS 72 7.099 14.128 0.616 557 1HE LYS 72 HE2 LYS 72 7.622 16.159 1.788 558 2HE LYS 72 HE1 LYS 72 8.296 15.254 3.142 559 1HZ LYS 72 HZ1 LYS 72 9.763 16.256 1.166 560 2HZ LYS 72 HZ2 LYS 72 9.475 14.707 0.547 561 3HZ LYS 72 HZ3 LYS 72 10.216 14.892 2.057 562 H GLU 73 HN GLU 73 3.952 11.431 3.786 563 HA GLU 73 HA GLU 73 5.590 11.530 6.002 564 1HB GLU 73 HB2 GLU 73 2.957 11.452 5.720 565 2HB GLU 73 HB1 GLU 73 3.190 9.746 6.077 566 1HG GLU 73 HG2 GLU 73 4.073 10.209 8.208 567 2HG GLU 73 HG1 GLU 73 4.269 11.921 7.837 568 H ALA 74 HN ALA 74 4.715 8.798 3.993 569 HA ALA 74 HA ALA 74 5.901 6.818 5.666 570 1HB ALA 74 HB1 ALA 74 4.119 6.726 3.664 571 2HB ALA 74 HB2 ALA 74 5.070 5.333 4.180 572 3HB ALA 74 HB3 ALA 74 5.581 6.285 2.785 573 H SER 75 HN SER 75 6.940 8.690 2.859 574 HA SER 75 HA SER 75 9.303 7.367 2.239 575 1HB SER 75 HB2 SER 75 8.604 9.080 0.760 576 2HB SER 75 HB1 SER 75 8.561 10.284 2.048 577 HG SER 75 HG SER 75 10.567 9.723 0.431 578 H ALA 76 HN ALA 76 8.873 10.125 4.457 579 HA ALA 76 HA ALA 76 11.448 10.356 5.410 580 1HB ALA 76 HB1 ALA 76 9.273 10.559 7.419 581 2HB ALA 76 HB2 ALA 76 9.182 11.612 6.007 582 3HB ALA 76 HB3 ALA 76 10.594 11.672 7.062 583 H ALA 77 HN ALA 77 8.943 8.086 6.365 584 HA ALA 77 HA ALA 77 10.527 6.845 8.435 585 1HB ALA 77 HB1 ALA 77 8.617 5.074 8.175 586 2HB ALA 77 HB2 ALA 77 7.843 6.352 7.238 587 3HB ALA 77 HB3 ALA 77 8.291 6.639 8.920 588 H TYR 78 HN TYR 78 10.250 6.602 5.074 589 HA TYR 78 HA TYR 78 10.866 3.907 4.572 590 1HB TYR 78 HB2 TYR 78 10.156 5.795 2.942 591 2HB TYR 78 HB1 TYR 78 11.862 6.211 2.899 592 HD1 TYR 78 HD1 TYR 78 9.903 5.225 0.662 593 HD2 TYR 78 HD2 TYR 78 12.896 3.308 2.996 594 HE1 TYR 78 HE1 TYR 78 10.256 3.589 -1.140 595 HE2 TYR 78 HE2 TYR 78 13.252 1.671 1.214 596 HH TYR 78 HH TYR 78 12.473 0.863 -0.744 597 H GLU 79 HN GLU 79 12.931 6.777 4.779 598 HA GLU 79 HA GLU 79 15.391 5.460 4.504 599 1HB GLU 79 HB2 GLU 79 14.761 8.063 5.897 600 2HB GLU 79 HB1 GLU 79 16.372 7.522 5.452 601 1HG GLU 79 HG2 GLU 79 16.079 7.994 3.259 602 2HG GLU 79 HG1 GLU 79 14.357 7.623 3.294 603 H SER 80 HN SER 80 13.750 6.577 7.468 604 HA SER 80 HA SER 80 15.675 5.689 9.253 605 1HB SER 80 HB2 SER 80 13.274 6.991 9.497 606 2HB SER 80 HB1 SER 80 12.933 5.439 10.262 607 HG SER 80 HG SER 80 15.012 7.258 10.908 608 H PHE 81 HN PHE 81 12.749 3.995 8.123 609 HA PHE 81 HA PHE 81 13.227 1.649 9.611 610 1HB PHE 81 HB2 PHE 81 11.292 2.562 7.696 611 2HB PHE 81 HB1 PHE 81 11.788 0.923 7.294 612 HD1 PHE 81 HD1 PHE 81 11.249 -0.919 8.716 613 HD2 PHE 81 HD2 PHE 81 10.207 3.053 9.827 614 HE1 PHE 81 HE1 PHE 81 9.767 -1.803 10.471 615 HE2 PHE 81 HE2 PHE 81 8.723 2.178 11.584 616 HZ PHE 81 HZ PHE 81 8.502 -0.253 11.909 617 H LYS 82 HN LYS 82 13.818 2.344 6.157 618 HA LYS 82 HA LYS 82 15.004 -0.115 5.549 619 1HB LYS 82 HB2 LYS 82 14.576 2.381 4.218 620 2HB LYS 82 HB1 LYS 82 16.222 1.856 3.920 621 1HG LYS 82 HG2 LYS 82 14.758 -0.442 3.549 622 2HG LYS 82 HG1 LYS 82 13.713 0.818 2.891 623 1HD LYS 82 HD2 LYS 82 15.006 0.244 1.057 624 2HD LYS 82 HD1 LYS 82 15.877 1.634 1.706 625 1HE LYS 82 HE2 LYS 82 16.639 -1.030 2.745 626 2HE LYS 82 HE1 LYS 82 17.072 -0.676 1.073 627 1HZ LYS 82 HZ1 LYS 82 17.821 0.927 3.459 628 2HZ LYS 82 HZ2 LYS 82 18.175 1.354 1.862 629 3HZ LYS 82 HZ3 LYS 82 18.854 -0.040 2.535 630 H LYS 83 HN LYS 83 16.474 2.912 6.686 631 HA LYS 83 HA LYS 83 19.144 1.927 6.495 632 1HB LYS 83 HB2 LYS 83 17.918 4.303 7.872 633 2HB LYS 83 HB1 LYS 83 19.623 3.914 8.051 634 1HG LYS 83 HG2 LYS 83 19.191 3.826 5.314 635 2HG LYS 83 HG1 LYS 83 18.242 5.208 5.867 636 1HD LYS 83 HD2 LYS 83 21.027 4.881 6.876 637 2HD LYS 83 HD1 LYS 83 20.784 5.470 5.231 638 1HE LYS 83 HE2 LYS 83 19.040 6.803 7.121 639 2HE LYS 83 HE1 LYS 83 20.736 6.974 7.568 640 1HZ LYS 83 HZ1 LYS 83 20.667 7.421 4.862 641 2HZ LYS 83 HZ2 LYS 83 20.823 8.593 6.072 642 3HZ LYS 83 HZ3 LYS 83 19.295 8.218 5.450 643 H GLU 84 HN GLU 84 16.787 2.151 9.136 644 HA GLU 84 HA GLU 84 18.666 1.003 11.023 645 1HB GLU 84 HB2 GLU 84 16.122 2.378 11.184 646 2HB GLU 84 HB1 GLU 84 16.110 0.927 12.168 647 1HG GLU 84 HG2 GLU 84 18.502 2.615 12.425 648 2HG GLU 84 HG1 GLU 84 16.996 3.324 13.004 649 H GLN 85 HN GLN 85 18.032 -0.583 8.694 650 HA GLN 85 HA GLN 85 16.207 -2.649 9.438 651 1HB GLN 85 HB2 GLN 85 17.858 -1.967 7.142 652 2HB GLN 85 HB1 GLN 85 17.901 -3.691 7.484 653 1HG GLN 85 HG2 GLN 85 15.254 -3.230 7.672 654 2HG GLN 85 HG1 GLN 85 15.709 -2.009 6.484 655 1HE2 GLN 85 HE21 GLN 85 16.238 -2.620 4.453 656 2HE2 GLN 85 HE22 GLN 85 16.181 -4.251 3.885 657 H GLU 86 HN GLU 86 16.660 -4.725 10.154 658 HA GLU 86 HA GLU 86 18.894 -4.975 11.894 659 1HB GLU 86 HB2 GLU 86 16.504 -6.531 11.228 660 2HB GLU 86 HB1 GLU 86 17.896 -7.527 11.630 661 1HG GLU 86 HG2 GLU 86 18.143 -6.222 13.731 662 2HG GLU 86 HG1 GLU 86 16.638 -5.394 13.337 663 H GLN 87 HN GLN 87 18.513 -5.538 8.568 664 HA GLN 87 HA GLN 87 20.442 -7.658 8.343 665 1HB GLN 87 HB2 GLN 87 18.449 -6.838 6.734 666 2HB GLN 87 HB1 GLN 87 19.792 -5.989 5.982 667 1HG GLN 87 HG2 GLN 87 20.917 -7.989 5.483 668 2HG GLN 87 HG1 GLN 87 19.892 -8.928 6.568 669 1HE2 GLN 87 HE21 GLN 87 20.225 -9.844 4.078 670 2HE2 GLN 87 HE22 GLN 87 18.791 -9.624 3.140 671 H GLN 88 HN GLN 88 20.483 -4.177 8.294 672 HA GLN 88 HA GLN 88 23.165 -4.051 7.197 673 1HB GLN 88 HB2 GLN 88 20.995 -2.164 7.719 674 2HB GLN 88 HB1 GLN 88 22.573 -1.527 8.162 675 1HG GLN 88 HG2 GLN 88 23.326 -1.502 6.013 676 2HG GLN 88 HG1 GLN 88 22.291 -2.841 5.517 677 1HE2 GLN 88 HE21 GLN 88 20.598 -2.351 4.325 678 2HE2 GLN 88 HE22 GLN 88 19.862 -0.795 4.192 679 H THR 89 HN THR 89 24.971 -4.109 8.354 680 HA THR 89 HA THR 89 24.805 -4.126 11.257 681 HB THR 89 HB THR 89 27.467 -4.429 10.653 682 HG1 THR 89 HG1 THR 89 27.609 -5.665 8.826 683 1HG2 THR 89 HG21 THR 89 25.603 -5.967 11.837 684 2HG2 THR 89 HG22 THR 89 27.243 -6.501 11.468 685 3HG2 THR 89 HG23 THR 89 25.918 -6.905 10.376 686 H GLU 90 HN GLU 90 24.220 -1.823 11.323 687 HA GLU 90 HA GLU 90 26.347 0.062 10.696 688 1HB GLU 90 HB2 GLU 90 23.460 0.229 11.303 689 2HB GLU 90 HB1 GLU 90 24.434 1.566 11.898 690 1HG GLU 90 HG2 GLU 90 24.866 0.740 9.094 691 2HG GLU 90 HG1 GLU 90 23.338 1.532 9.474 692 H GLN 91 HN GLN 91 24.585 -1.137 13.527 693 HA GLN 91 HA GLN 91 26.167 0.430 15.355 694 1HB GLN 91 HB2 GLN 91 24.180 -1.795 15.850 695 2HB GLN 91 HB1 GLN 91 24.928 -0.819 17.108 696 1HG GLN 91 HG2 GLN 91 23.801 0.964 15.234 697 2HG GLN 91 HG1 GLN 91 22.597 -0.282 15.563 698 1HE2 GLN 91 HE21 GLN 91 21.289 0.172 17.170 699 2HE2 GLN 91 HE22 GLN 91 21.658 1.145 18.549 700 H ALA 92 HN ALA 92 27.400 -0.566 17.123 701 HA ALA 92 HA ALA 92 29.163 -2.616 16.073 702 1HB ALA 92 HB1 ALA 92 29.274 -0.641 18.282 703 2HB ALA 92 HB2 ALA 92 30.484 -1.054 17.067 704 3HB ALA 92 HB3 ALA 92 30.234 -2.111 18.455 Start of MODEL 22 1 1H GLY 1 HT1 GLY 1 -33.890 -11.288 -20.149 2 2H GLY 1 HT2 GLY 1 -32.676 -10.927 -19.028 3 3H GLY 1 HT3 GLY 1 -32.549 -12.309 -19.995 4 1HA GLY 1 HA1 GLY 1 -31.604 -11.207 -21.651 5 2HA GLY 1 HA2 GLY 1 -32.869 -9.988 -21.603 6 HA PRO 2 HA PRO 2 -28.625 -8.725 -19.500 7 1HB PRO 2 HB2 PRO 2 -27.357 -7.659 -21.706 8 2HB PRO 2 HB1 PRO 2 -27.023 -9.257 -21.032 9 1HG PRO 2 HG2 PRO 2 -28.746 -8.500 -23.357 10 2HG PRO 2 HG1 PRO 2 -27.632 -9.869 -23.184 11 1HD PRO 2 HD2 PRO 2 -30.283 -10.183 -22.932 12 2HD PRO 2 HD1 PRO 2 -29.143 -11.102 -21.927 13 H LEU 3 HN LEU 3 -29.519 -7.007 -18.499 14 HA LEU 3 HA LEU 3 -30.826 -4.905 -19.981 15 1HB LEU 3 HB2 LEU 3 -31.021 -3.849 -17.690 16 2HB LEU 3 HB1 LEU 3 -31.829 -5.389 -17.912 17 HG LEU 3 HG LEU 3 -29.086 -5.548 -16.833 18 1HD1 LEU 3 HD11 LEU 3 -30.163 -3.512 -15.749 19 2HD1 LEU 3 HD12 LEU 3 -29.571 -4.777 -14.672 20 3HD1 LEU 3 HD13 LEU 3 -31.296 -4.646 -15.014 21 1HD2 LEU 3 HD21 LEU 3 -29.874 -7.436 -15.819 22 2HD2 LEU 3 HD22 LEU 3 -30.991 -7.347 -17.181 23 3HD2 LEU 3 HD23 LEU 3 -31.491 -6.771 -15.591 24 H GLY 4 HN GLY 4 -29.689 -3.404 -21.005 25 1HA GLY 4 HA2 GLY 4 -27.000 -2.734 -20.101 26 2HA GLY 4 HA1 GLY 4 -27.749 -2.226 -21.607 27 H SER 5 HN SER 5 -29.335 -1.878 -18.510 28 HA SER 5 HA SER 5 -29.433 0.994 -18.904 29 1HB SER 5 HB2 SER 5 -31.503 -0.136 -18.293 30 2HB SER 5 HB1 SER 5 -30.747 -0.789 -16.840 31 HG SER 5 HG SER 5 -32.092 1.289 -16.792 32 HA PRO 6 HA PRO 6 -26.037 1.745 -16.144 33 1HB PRO 6 HB2 PRO 6 -26.570 4.356 -15.557 34 2HB PRO 6 HB1 PRO 6 -25.831 3.828 -17.072 35 1HG PRO 6 HG2 PRO 6 -28.682 4.529 -16.498 36 2HG PRO 6 HG1 PRO 6 -27.687 4.948 -17.904 37 1HD PRO 6 HD2 PRO 6 -29.498 2.948 -17.969 38 2HD PRO 6 HD1 PRO 6 -27.979 2.878 -18.887 39 H ARG 7 HN ARG 7 -25.778 1.335 -14.047 40 HA ARG 7 HA ARG 7 -28.110 1.436 -12.305 41 1HB ARG 7 HB2 ARG 7 -26.601 0.179 -10.718 42 2HB ARG 7 HB1 ARG 7 -26.966 -0.645 -12.228 43 1HG ARG 7 HG2 ARG 7 -24.527 0.995 -12.254 44 2HG ARG 7 HG1 ARG 7 -24.492 -0.404 -11.182 45 1HD ARG 7 HD2 ARG 7 -25.424 -1.683 -13.239 46 2HD ARG 7 HD1 ARG 7 -24.817 -0.307 -14.155 47 HE ARG 7 HE ARG 7 -22.693 -1.082 -13.837 48 1HH1 ARG 7 HH11 ARG 7 -24.800 -2.631 -11.527 49 2HH1 ARG 7 HH12 ARG 7 -23.583 -3.730 -10.967 50 1HH2 ARG 7 HH21 ARG 7 -21.092 -2.526 -13.102 51 2HH2 ARG 7 HH22 ARG 7 -21.479 -3.670 -11.860 52 H ASN 8 HN ASN 8 -27.832 2.195 -10.058 53 HA ASN 8 HA ASN 8 -26.424 4.748 -10.064 54 1HB ASN 8 HB2 ASN 8 -28.670 3.570 -8.493 55 2HB ASN 8 HB1 ASN 8 -27.705 4.835 -7.739 56 1HD2 ASN 8 HD21 ASN 8 -30.089 4.082 -10.074 57 2HD2 ASN 8 HD22 ASN 8 -30.400 5.695 -10.607 58 H ALA 9 HN ALA 9 -25.700 5.342 -7.659 59 HA ALA 9 HA ALA 9 -23.448 3.662 -7.134 60 1HB ALA 9 HB1 ALA 9 -24.434 5.962 -5.457 61 2HB ALA 9 HB2 ALA 9 -23.464 6.157 -6.916 62 3HB ALA 9 HB3 ALA 9 -22.801 5.299 -5.526 63 H ASN 10 HN ASN 10 -23.854 1.719 -6.252 64 HA ASN 10 HA ASN 10 -25.689 1.570 -3.964 65 1HB ASN 10 HB2 ASN 10 -25.303 -0.987 -4.379 66 2HB ASN 10 HB1 ASN 10 -26.380 -0.085 -5.437 67 1HD2 ASN 10 HD21 ASN 10 -22.935 -0.907 -5.168 68 2HD2 ASN 10 HD22 ASN 10 -22.712 -1.243 -6.847 69 H ASP 11 HN ASP 11 -25.054 0.154 -2.154 70 HA ASP 11 HA ASP 11 -22.285 0.675 -1.429 71 1HB ASP 11 HB2 ASP 11 -22.997 -0.116 0.831 72 2HB ASP 11 HB1 ASP 11 -23.938 1.247 0.234 73 H ASN 12 HN ASN 12 -23.060 -1.402 -3.411 74 HA ASN 12 HA ASN 12 -22.257 -3.871 -2.078 75 1HB ASN 12 HB2 ASN 12 -23.771 -3.189 -4.495 76 2HB ASN 12 HB1 ASN 12 -22.603 -4.483 -4.748 77 1HD2 ASN 12 HD21 ASN 12 -25.690 -3.793 -3.843 78 2HD2 ASN 12 HD22 ASN 12 -26.071 -5.249 -2.994 79 H ASN 13 HN ASN 13 -20.087 -3.846 -1.783 80 HA ASN 13 HA ASN 13 -18.298 -2.781 -3.771 81 1HB ASN 13 HB2 ASN 13 -17.960 -4.062 -1.082 82 2HB ASN 13 HB1 ASN 13 -16.569 -3.879 -2.145 83 1HD2 ASN 13 HD21 ASN 13 -19.365 -1.809 -1.423 84 2HD2 ASN 13 HD22 ASN 13 -18.435 -0.427 -0.968 85 H GLN 14 HN GLN 14 -16.970 -3.889 -5.150 86 HA GLN 14 HA GLN 14 -17.780 -6.592 -5.773 87 1HB GLN 14 HB2 GLN 14 -16.747 -4.415 -7.235 88 2HB GLN 14 HB1 GLN 14 -15.542 -5.690 -7.342 89 1HG GLN 14 HG2 GLN 14 -16.916 -6.063 -9.173 90 2HG GLN 14 HG1 GLN 14 -17.485 -7.224 -7.974 91 1HE2 GLN 14 HE21 GLN 14 -18.194 -4.272 -9.671 92 2HE2 GLN 14 HE22 GLN 14 -19.872 -4.205 -9.267 93 H PHE 15 HN PHE 15 -16.993 -7.647 -3.879 94 HA PHE 15 HA PHE 15 -14.123 -7.727 -3.447 95 1HB PHE 15 HB2 PHE 15 -16.518 -8.806 -2.016 96 2HB PHE 15 HB1 PHE 15 -14.947 -9.540 -1.718 97 HD1 PHE 15 HD1 PHE 15 -16.602 -6.201 -1.808 98 HD2 PHE 15 HD2 PHE 15 -13.592 -8.665 -0.080 99 HE1 PHE 15 HE1 PHE 15 -16.078 -4.423 -0.188 100 HE2 PHE 15 HE2 PHE 15 -13.064 -6.890 1.540 101 HZ PHE 15 HZ PHE 15 -14.308 -4.766 1.487 102 H TYR 16 HN TYR 16 -16.201 -9.202 -5.551 103 HA TYR 16 HA TYR 16 -15.251 -11.890 -5.430 104 1HB TYR 16 HB2 TYR 16 -17.459 -11.041 -6.436 105 2HB TYR 16 HB1 TYR 16 -16.504 -10.602 -7.848 106 HD1 TYR 16 HD1 TYR 16 -18.351 -13.182 -6.279 107 HD2 TYR 16 HD2 TYR 16 -15.054 -12.498 -8.880 108 HE1 TYR 16 HE1 TYR 16 -18.550 -15.482 -7.127 109 HE2 TYR 16 HE2 TYR 16 -15.244 -14.794 -9.736 110 HH TYR 16 HH TYR 16 -17.038 -16.546 -9.920 111 H GLN 17 HN GLN 17 -14.886 -9.511 -8.065 112 HA GLN 17 HA GLN 17 -12.662 -10.851 -9.200 113 1HB GLN 17 HB2 GLN 17 -14.157 -8.365 -9.696 114 2HB GLN 17 HB1 GLN 17 -12.467 -8.303 -10.172 115 1HG GLN 17 HG2 GLN 17 -12.775 -9.670 -11.912 116 2HG GLN 17 HG1 GLN 17 -13.871 -10.725 -11.020 117 1HE2 GLN 17 HE21 GLN 17 -15.836 -10.785 -11.811 118 2HE2 GLN 17 HE22 GLN 17 -16.651 -9.503 -12.633 119 H GLN 18 HN GLN 18 -11.081 -11.137 -7.620 120 HA GLN 18 HA GLN 18 -10.055 -8.899 -6.133 121 1HB GLN 18 HB2 GLN 18 -10.092 -11.510 -5.592 122 2HB GLN 18 HB1 GLN 18 -8.507 -11.431 -6.347 123 1HG GLN 18 HG2 GLN 18 -7.936 -11.078 -4.174 124 2HG GLN 18 HG1 GLN 18 -8.178 -9.413 -4.704 125 1HE2 GLN 18 HE21 GLN 18 -8.688 -11.355 -2.215 126 2HE2 GLN 18 HE22 GLN 18 -10.155 -10.700 -1.577 127 H LYS 19 HN LYS 19 -9.570 -10.059 -9.260 128 HA LYS 19 HA LYS 19 -6.800 -9.482 -9.539 129 1HB LYS 19 HB2 LYS 19 -8.247 -10.987 -11.022 130 2HB LYS 19 HB1 LYS 19 -8.794 -9.500 -11.786 131 1HG LYS 19 HG2 LYS 19 -5.957 -9.445 -11.669 132 2HG LYS 19 HG1 LYS 19 -6.460 -11.006 -12.319 133 1HD LYS 19 HD2 LYS 19 -8.091 -9.460 -13.732 134 2HD LYS 19 HD1 LYS 19 -6.821 -8.274 -13.428 135 1HE LYS 19 HE2 LYS 19 -5.365 -10.452 -14.160 136 2HE LYS 19 HE1 LYS 19 -6.816 -10.658 -15.141 137 1HZ LYS 19 HZ1 LYS 19 -5.597 -9.337 -16.507 138 2HZ LYS 19 HZ2 LYS 19 -4.784 -8.557 -15.245 139 3HZ LYS 19 HZ3 LYS 19 -6.375 -8.125 -15.619 140 H GLN 20 HN GLN 20 -9.741 -7.661 -9.986 141 HA GLN 20 HA GLN 20 -8.433 -5.420 -11.209 142 1HB GLN 20 HB2 GLN 20 -10.577 -4.281 -11.000 143 2HB GLN 20 HB1 GLN 20 -10.798 -5.892 -11.656 144 1HG GLN 20 HG2 GLN 20 -12.386 -6.159 -10.140 145 2HG GLN 20 HG1 GLN 20 -11.102 -6.251 -8.941 146 1HE2 GLN 20 HE21 GLN 20 -13.154 -3.935 -10.654 147 2HE2 GLN 20 HE22 GLN 20 -13.288 -2.816 -9.344 148 H ARG 21 HN ARG 21 -9.623 -6.211 -7.986 149 HA ARG 21 HA ARG 21 -9.114 -3.770 -6.721 150 1HB ARG 21 HB2 ARG 21 -9.379 -6.595 -5.811 151 2HB ARG 21 HB1 ARG 21 -8.743 -5.409 -4.680 152 1HG ARG 21 HG2 ARG 21 -10.768 -4.026 -5.075 153 2HG ARG 21 HG1 ARG 21 -11.411 -5.331 -6.070 154 1HD ARG 21 HD2 ARG 21 -12.158 -5.203 -3.623 155 2HD ARG 21 HD1 ARG 21 -11.645 -6.768 -4.250 156 HE ARG 21 HE ARG 21 -9.541 -5.279 -2.973 157 1HH1 ARG 21 HH11 ARG 21 -12.169 -7.519 -2.486 158 2HH1 ARG 21 HH12 ARG 21 -11.518 -8.158 -1.016 159 1HH2 ARG 21 HH21 ARG 21 -8.675 -6.126 -1.043 160 2HH2 ARG 21 HH22 ARG 21 -9.533 -7.371 -0.197 161 H GLN 22 HN GLN 22 -7.117 -6.716 -6.604 162 HA GLN 22 HA GLN 22 -4.883 -5.437 -5.450 163 1HB GLN 22 HB2 GLN 22 -5.513 -8.088 -6.548 164 2HB GLN 22 HB1 GLN 22 -3.821 -7.631 -6.692 165 1HG GLN 22 HG2 GLN 22 -4.877 -7.039 -4.065 166 2HG GLN 22 HG1 GLN 22 -5.059 -8.740 -4.485 167 1HE2 GLN 22 HE21 GLN 22 -3.233 -9.997 -4.817 168 2HE2 GLN 22 HE22 GLN 22 -1.659 -9.491 -4.316 169 H ALA 23 HN ALA 23 -6.047 -5.520 -8.673 170 HA ALA 23 HA ALA 23 -3.673 -5.321 -10.141 171 1HB ALA 23 HB1 ALA 23 -6.475 -4.954 -10.629 172 2HB ALA 23 HB2 ALA 23 -5.188 -5.356 -11.765 173 3HB ALA 23 HB3 ALA 23 -5.557 -3.668 -11.413 174 H LEU 24 HN LEU 24 -5.830 -2.545 -9.608 175 HA LEU 24 HA LEU 24 -3.784 -0.640 -9.973 176 1HB LEU 24 HB2 LEU 24 -6.597 -0.608 -9.045 177 2HB LEU 24 HB1 LEU 24 -5.615 0.771 -8.596 178 HG LEU 24 HG LEU 24 -6.859 1.219 -10.639 179 1HD1 LEU 24 HD11 LEU 24 -5.133 2.489 -11.204 180 2HD1 LEU 24 HD12 LEU 24 -4.436 1.124 -12.074 181 3HD1 LEU 24 HD13 LEU 24 -4.018 1.397 -10.383 182 1HD2 LEU 24 HD21 LEU 24 -7.302 -0.705 -11.749 183 2HD2 LEU 24 HD22 LEU 24 -5.714 -1.399 -11.412 184 3HD2 LEU 24 HD23 LEU 24 -5.896 -0.184 -12.677 185 H GLY 25 HN GLY 25 -5.091 -2.245 -7.126 186 1HA GLY 25 HA2 GLY 25 -3.874 -0.651 -5.155 187 2HA GLY 25 HA1 GLY 25 -4.324 -2.341 -4.958 188 H GLU 26 HN GLU 26 -2.686 -3.466 -6.951 189 HA GLU 26 HA GLU 26 -0.290 -3.841 -5.568 190 1HB GLU 26 HB2 GLU 26 -1.293 -4.524 -8.273 191 2HB GLU 26 HB1 GLU 26 0.455 -4.510 -8.075 192 1HG GLU 26 HG2 GLU 26 -0.918 -5.902 -5.924 193 2HG GLU 26 HG1 GLU 26 -1.217 -6.609 -7.511 194 H GLN 27 HN GLN 27 -1.292 -1.422 -7.850 195 HA GLN 27 HA GLN 27 1.238 -0.472 -8.621 196 1HB GLN 27 HB2 GLN 27 -1.470 0.809 -8.472 197 2HB GLN 27 HB1 GLN 27 -0.061 1.738 -8.941 198 1HG GLN 27 HG2 GLN 27 0.082 -0.512 -10.532 199 2HG GLN 27 HG1 GLN 27 -1.642 -0.150 -10.467 200 1HE2 GLN 27 HE21 GLN 27 -1.615 2.578 -10.295 201 2HE2 GLN 27 HE22 GLN 27 -0.965 3.249 -11.748 202 H LEU 28 HN LEU 28 -0.735 0.023 -5.783 203 HA LEU 28 HA LEU 28 0.510 2.266 -4.679 204 1HB LEU 28 HB2 LEU 28 -1.526 0.765 -3.873 205 2HB LEU 28 HB1 LEU 28 -0.285 -0.004 -2.904 206 HG LEU 28 HG LEU 28 0.232 2.174 -1.854 207 1HD1 LEU 28 HD11 LEU 28 -0.796 3.380 -3.959 208 2HD1 LEU 28 HD12 LEU 28 -0.795 4.138 -2.369 209 3HD1 LEU 28 HD13 LEU 28 -2.254 3.350 -2.971 210 1HD2 LEU 28 HD21 LEU 28 -2.307 2.414 -0.931 211 2HD2 LEU 28 HD22 LEU 28 -1.169 1.173 -0.401 212 3HD2 LEU 28 HD23 LEU 28 -2.363 0.800 -1.644 213 H TYR 29 HN TYR 29 1.359 -1.161 -4.477 214 HA TYR 29 HA TYR 29 3.604 -0.762 -2.764 215 1HB TYR 29 HB2 TYR 29 2.490 -2.907 -2.809 216 2HB TYR 29 HB1 TYR 29 2.847 -3.099 -4.521 217 HD1 TYR 29 HD1 TYR 29 4.415 -4.727 -4.900 218 HD2 TYR 29 HD2 TYR 29 4.878 -2.223 -1.494 219 HE1 TYR 29 HE1 TYR 29 6.512 -5.884 -4.343 220 HE2 TYR 29 HE2 TYR 29 6.982 -3.370 -0.925 221 HH TYR 29 HH TYR 29 8.764 -4.709 -2.237 222 H LYS 30 HN LYS 30 3.385 -1.391 -6.298 223 HA LYS 30 HA LYS 30 6.165 -1.364 -6.713 224 1HB LYS 30 HB2 LYS 30 5.708 -1.133 -9.062 225 2HB LYS 30 HB1 LYS 30 4.531 -2.233 -8.361 226 1HG LYS 30 HG2 LYS 30 3.047 -0.116 -8.182 227 2HG LYS 30 HG1 LYS 30 4.153 0.540 -9.390 228 1HD LYS 30 HD2 LYS 30 2.784 -2.118 -9.716 229 2HD LYS 30 HD1 LYS 30 2.067 -0.605 -10.274 230 1HE LYS 30 HE2 LYS 30 4.594 -0.460 -11.303 231 2HE LYS 30 HE1 LYS 30 4.252 -2.187 -11.406 232 1HZ LYS 30 HZ1 LYS 30 3.266 -0.082 -13.016 233 2HZ LYS 30 HZ2 LYS 30 1.972 -0.888 -12.282 234 3HZ LYS 30 HZ3 LYS 30 3.084 -1.751 -13.220 235 H LYS 31 HN LYS 31 3.834 1.215 -6.484 236 HA LYS 31 HA LYS 31 5.345 3.295 -7.613 237 1HB LYS 31 HB2 LYS 31 2.849 3.160 -6.730 238 2HB LYS 31 HB1 LYS 31 3.570 3.836 -5.279 239 1HG LYS 31 HG2 LYS 31 3.197 5.810 -6.242 240 2HG LYS 31 HG1 LYS 31 4.611 5.436 -7.229 241 1HD LYS 31 HD2 LYS 31 2.505 4.117 -8.485 242 2HD LYS 31 HD1 LYS 31 1.827 5.671 -7.996 243 1HE LYS 31 HE2 LYS 31 2.898 6.702 -9.644 244 2HE LYS 31 HE1 LYS 31 4.445 6.068 -9.085 245 1HZ LYS 31 HZ1 LYS 31 4.319 5.173 -11.169 246 2HZ LYS 31 HZ2 LYS 31 2.637 5.010 -11.140 247 3HZ LYS 31 HZ3 LYS 31 3.605 3.925 -10.276 248 H VAL 32 HN VAL 32 5.235 1.975 -4.344 249 HA VAL 32 HA VAL 32 7.125 3.926 -3.358 250 HB VAL 32 HB VAL 32 7.150 2.420 -1.300 251 1HG1 VAL 32 HG11 VAL 32 4.760 3.117 -0.699 252 2HG1 VAL 32 HG12 VAL 32 4.706 3.823 -2.313 253 3HG1 VAL 32 HG13 VAL 32 5.902 4.384 -1.146 254 1HG2 VAL 32 HG21 VAL 32 5.521 0.737 -1.049 255 2HG2 VAL 32 HG22 VAL 32 6.296 0.428 -2.598 256 3HG2 VAL 32 HG23 VAL 32 4.709 1.190 -2.547 257 H SER 33 HN SER 33 7.146 0.503 -4.320 258 HA SER 33 HA SER 33 9.901 0.128 -3.651 259 1HB SER 33 HB2 SER 33 9.663 -2.059 -4.548 260 2HB SER 33 HB1 SER 33 8.114 -1.689 -3.789 261 HG SER 33 HG SER 33 8.775 -1.890 -6.503 262 H ALA 34 HN ALA 34 8.703 2.128 -5.843 263 HA ALA 34 HA ALA 34 9.915 1.466 -8.283 264 1HB ALA 34 HB1 ALA 34 8.223 3.144 -8.233 265 2HB ALA 34 HB2 ALA 34 9.718 3.919 -8.757 266 3HB ALA 34 HB3 ALA 34 9.150 4.128 -7.100 267 H LYS 35 HN LYS 35 11.389 2.127 -5.361 268 HA LYS 35 HA LYS 35 13.775 3.293 -6.609 269 1HB LYS 35 HB2 LYS 35 12.520 3.509 -3.983 270 2HB LYS 35 HB1 LYS 35 14.237 3.148 -3.873 271 1HG LYS 35 HG2 LYS 35 14.825 5.113 -5.037 272 2HG LYS 35 HG1 LYS 35 13.161 5.394 -5.550 273 1HD LYS 35 HD2 LYS 35 12.809 5.381 -2.891 274 2HD LYS 35 HD1 LYS 35 14.476 5.957 -2.960 275 1HE LYS 35 HE2 LYS 35 12.139 7.168 -4.436 276 2HE LYS 35 HE1 LYS 35 12.849 7.801 -2.951 277 1HZ LYS 35 HZ1 LYS 35 13.942 7.798 -5.676 278 2HZ LYS 35 HZ2 LYS 35 15.014 7.769 -4.369 279 3HZ LYS 35 HZ3 LYS 35 13.914 9.043 -4.532 280 H THR 36 HN THR 36 12.527 0.430 -5.098 281 HA THR 36 HA THR 36 14.653 -1.181 -5.985 282 HB THR 36 HB THR 36 16.022 -0.284 -4.269 283 HG1 THR 36 HG1 THR 36 16.581 -2.186 -3.633 284 1HG2 THR 36 HG21 THR 36 14.511 0.854 -2.849 285 2HG2 THR 36 HG22 THR 36 15.332 -0.358 -1.867 286 3HG2 THR 36 HG23 THR 36 13.682 -0.642 -2.423 287 H SER 37 HN SER 37 14.448 -3.449 -5.209 288 HA SER 37 HA SER 37 11.636 -4.110 -4.900 289 1HB SER 37 HB2 SER 37 12.399 -6.444 -5.306 290 2HB SER 37 HB1 SER 37 12.905 -5.332 -6.578 291 HG SER 37 HG SER 37 14.964 -5.311 -5.708 292 H ASN 38 HN ASN 38 12.829 -2.906 -2.659 293 HA ASN 38 HA ASN 38 13.445 -4.929 -0.700 294 1HB ASN 38 HB2 ASN 38 13.964 -2.224 -0.912 295 2HB ASN 38 HB1 ASN 38 12.724 -2.296 0.334 296 1HD2 ASN 38 HD21 ASN 38 15.845 -3.626 -0.614 297 2HD2 ASN 38 HD22 ASN 38 16.410 -3.919 0.992 298 H GLU 39 HN GLU 39 11.731 -6.269 -0.308 299 HA GLU 39 HA GLU 39 9.035 -5.525 -0.281 300 1HB GLU 39 HB2 GLU 39 10.559 -7.836 0.857 301 2HB GLU 39 HB1 GLU 39 8.859 -7.637 1.261 302 1HG GLU 39 HG2 GLU 39 8.511 -7.461 -1.289 303 2HG GLU 39 HG1 GLU 39 10.113 -8.188 -1.395 304 H GLU 40 HN GLU 40 11.499 -5.123 2.116 305 HA GLU 40 HA GLU 40 9.625 -4.703 4.280 306 1HB GLU 40 HB2 GLU 40 12.492 -5.061 4.011 307 2HB GLU 40 HB1 GLU 40 12.108 -3.725 5.089 308 1HG GLU 40 HG2 GLU 40 10.546 -6.178 5.509 309 2HG GLU 40 HG1 GLU 40 12.270 -6.298 5.860 310 H ALA 41 HN ALA 41 11.338 -2.794 1.943 311 HA ALA 41 HA ALA 41 11.020 -0.289 3.302 312 1HB ALA 41 HB1 ALA 41 12.781 -0.885 1.582 313 2HB ALA 41 HB2 ALA 41 12.001 0.680 1.440 314 3HB ALA 41 HB3 ALA 41 11.524 -0.629 0.372 315 H ALA 42 HN ALA 42 9.746 -1.324 0.162 316 HA ALA 42 HA ALA 42 7.770 0.634 -0.010 317 1HB ALA 42 HB1 ALA 42 8.238 -0.289 -2.043 318 2HB ALA 42 HB2 ALA 42 6.756 -1.161 -1.645 319 3HB ALA 42 HB3 ALA 42 8.323 -1.931 -1.403 320 H GLY 43 HN GLY 43 7.763 -2.545 1.461 321 1HA GLY 43 HA2 GLY 43 4.956 -2.777 1.795 322 2HA GLY 43 HA1 GLY 43 6.180 -3.640 2.719 323 H LYS 44 HN LYS 44 7.421 -1.002 3.463 324 HA LYS 44 HA LYS 44 5.985 -0.644 5.902 325 1HB LYS 44 HB2 LYS 44 8.553 0.038 4.881 326 2HB LYS 44 HB1 LYS 44 7.799 1.516 5.460 327 1HG LYS 44 HG2 LYS 44 9.083 0.552 7.233 328 2HG LYS 44 HG1 LYS 44 7.370 0.396 7.628 329 1HD LYS 44 HD2 LYS 44 8.551 -1.867 6.160 330 2HD LYS 44 HD1 LYS 44 9.154 -1.628 7.798 331 1HE LYS 44 HE2 LYS 44 6.216 -1.541 7.357 332 2HE LYS 44 HE1 LYS 44 7.017 -3.107 7.283 333 1HZ LYS 44 HZ1 LYS 44 7.396 -3.106 9.477 334 2HZ LYS 44 HZ2 LYS 44 6.138 -1.976 9.533 335 3HZ LYS 44 HZ3 LYS 44 7.746 -1.451 9.543 336 H ILE 45 HN ILE 45 6.569 1.458 3.097 337 HA ILE 45 HA ILE 45 4.881 3.546 4.017 338 HB ILE 45 HB ILE 45 5.609 3.007 1.142 339 1HG1 ILE 45 HG12 ILE 45 7.205 4.762 2.995 340 2HG1 ILE 45 HG11 ILE 45 7.567 3.045 2.833 341 1HG2 ILE 45 HG21 ILE 45 4.111 5.036 2.425 342 2HG2 ILE 45 HG22 ILE 45 4.563 4.910 0.726 343 3HG2 ILE 45 HG23 ILE 45 5.617 5.754 1.857 344 1HD1 ILE 45 HD11 ILE 45 8.743 3.463 1.021 345 2HD1 ILE 45 HD12 ILE 45 8.387 5.182 1.198 346 3HD1 ILE 45 HD13 ILE 45 7.323 4.154 0.238 347 H THR 46 HN THR 46 4.384 0.713 1.987 348 HA THR 46 HA THR 46 1.879 1.335 0.923 349 HB THR 46 HB THR 46 2.955 -1.374 1.745 350 HG1 THR 46 HG1 THR 46 2.914 -0.483 -0.901 351 1HG2 THR 46 HG21 THR 46 1.103 -1.131 -0.535 352 2HG2 THR 46 HG22 THR 46 0.398 -0.979 1.074 353 3HG2 THR 46 HG23 THR 46 1.302 -2.430 0.642 354 H GLY 47 HN GLY 47 2.781 -0.087 4.040 355 1HA GLY 47 HA2 GLY 47 0.198 -0.741 4.929 356 2HA GLY 47 HA1 GLY 47 1.583 -0.419 5.963 357 H MET 48 HN MET 48 1.976 2.289 4.966 358 HA MET 48 HA MET 48 0.130 3.614 6.709 359 1HB MET 48 HB2 MET 48 2.049 4.939 4.792 360 2HB MET 48 HB1 MET 48 1.380 5.600 6.279 361 1HG MET 48 HG2 MET 48 2.618 3.403 7.235 362 2HG MET 48 HG1 MET 48 3.659 3.793 5.868 363 1HE MET 48 HE1 MET 48 6.094 5.775 7.719 364 2HE MET 48 HE2 MET 48 5.672 4.599 6.474 365 3HE MET 48 HE3 MET 48 5.607 4.142 8.176 366 H ILE 49 HN ILE 49 0.742 3.692 3.189 367 HA ILE 49 HA ILE 49 -1.499 5.361 2.626 368 HB ILE 49 HB ILE 49 -0.162 3.471 0.691 369 1HG1 ILE 49 HG12 ILE 49 0.631 6.341 0.871 370 2HG1 ILE 49 HG11 ILE 49 1.291 5.229 2.067 371 1HG2 ILE 49 HG21 ILE 49 -0.860 5.806 -0.608 372 2HG2 ILE 49 HG22 ILE 49 -2.204 5.522 0.499 373 3HG2 ILE 49 HG23 ILE 49 -1.739 4.278 -0.659 374 1HD1 ILE 49 HD11 ILE 49 2.883 4.824 0.583 375 2HD1 ILE 49 HD12 ILE 49 1.983 5.586 -0.724 376 3HD1 ILE 49 HD13 ILE 49 1.678 3.898 -0.307 377 H LEU 50 HN LEU 50 -1.326 2.249 3.708 378 HA LEU 50 HA LEU 50 -3.297 0.917 2.179 379 1HB LEU 50 HB2 LEU 50 -1.560 0.261 4.232 380 2HB LEU 50 HB1 LEU 50 -3.139 0.104 4.977 381 HG LEU 50 HG LEU 50 -2.470 -2.037 4.124 382 1HD1 LEU 50 HD11 LEU 50 -4.757 -1.897 3.904 383 2HD1 LEU 50 HD12 LEU 50 -4.267 -2.291 2.256 384 3HD1 LEU 50 HD13 LEU 50 -4.671 -0.628 2.683 385 1HD2 LEU 50 HD21 LEU 50 -1.956 -0.532 1.576 386 2HD2 LEU 50 HD22 LEU 50 -2.172 -2.282 1.609 387 3HD2 LEU 50 HD23 LEU 50 -0.846 -1.541 2.504 388 H ASP 51 HN ASP 51 -3.727 3.665 3.826 389 HA ASP 51 HA ASP 51 -6.054 3.095 5.370 390 1HB ASP 51 HB2 ASP 51 -4.323 5.200 5.260 391 2HB ASP 51 HB1 ASP 51 -5.703 5.853 4.384 392 H LEU 52 HN LEU 52 -5.425 3.787 2.022 393 HA LEU 52 HA LEU 52 -8.188 4.485 1.476 394 1HB LEU 52 HB2 LEU 52 -5.723 4.207 -0.215 395 2HB LEU 52 HB1 LEU 52 -7.310 4.407 -0.936 396 HG LEU 52 HG LEU 52 -7.574 6.559 0.198 397 1HD1 LEU 52 HD11 LEU 52 -4.880 5.879 1.344 398 2HD1 LEU 52 HD12 LEU 52 -6.360 6.311 2.200 399 3HD1 LEU 52 HD13 LEU 52 -5.492 7.532 1.271 400 1HD2 LEU 52 HD21 LEU 52 -4.960 6.342 -1.281 401 2HD2 LEU 52 HD22 LEU 52 -5.924 7.803 -1.072 402 3HD2 LEU 52 HD23 LEU 52 -6.553 6.462 -2.029 403 HA PRO 53 HA PRO 53 -9.530 0.225 1.168 404 1HB PRO 53 HB2 PRO 53 -11.459 1.440 -0.746 405 2HB PRO 53 HB1 PRO 53 -11.759 0.383 0.635 406 1HG PRO 53 HG2 PRO 53 -12.251 3.030 0.721 407 2HG PRO 53 HG1 PRO 53 -11.732 2.110 2.143 408 1HD PRO 53 HD2 PRO 53 -10.228 4.057 0.505 409 2HD PRO 53 HD1 PRO 53 -9.993 3.580 2.197 410 HA PRO 54 HA PRO 54 -7.898 -1.599 -2.486 411 1HB PRO 54 HB2 PRO 54 -10.158 -2.772 -3.667 412 2HB PRO 54 HB1 PRO 54 -9.076 -3.522 -2.492 413 1HG PRO 54 HG2 PRO 54 -11.710 -2.193 -2.066 414 2HG PRO 54 HG1 PRO 54 -11.016 -3.605 -1.247 415 1HD PRO 54 HD2 PRO 54 -11.089 -1.222 -0.050 416 2HD PRO 54 HD1 PRO 54 -9.690 -2.297 0.147 417 H GLN 55 HN GLN 55 -11.167 -0.549 -3.490 418 HA GLN 55 HA GLN 55 -10.153 0.342 -6.029 419 1HB GLN 55 HB2 GLN 55 -12.885 0.906 -4.891 420 2HB GLN 55 HB1 GLN 55 -12.403 0.909 -6.582 421 1HG GLN 55 HG2 GLN 55 -12.524 -1.334 -6.769 422 2HG GLN 55 HG1 GLN 55 -11.987 -1.613 -5.112 423 1HE2 GLN 55 HE21 GLN 55 -13.567 -1.089 -3.406 424 2HE2 GLN 55 HE22 GLN 55 -15.235 -1.418 -3.713 425 H GLU 56 HN GLU 56 -11.272 1.907 -3.072 426 HA GLU 56 HA GLU 56 -11.285 4.560 -3.941 427 1HB GLU 56 HB2 GLU 56 -11.017 3.216 -1.295 428 2HB GLU 56 HB1 GLU 56 -10.658 4.932 -1.393 429 1HG GLU 56 HG2 GLU 56 -13.105 4.487 -2.744 430 2HG GLU 56 HG1 GLU 56 -13.176 3.645 -1.196 431 H VAL 57 HN VAL 57 -8.626 2.473 -3.343 432 HA VAL 57 HA VAL 57 -6.761 4.659 -2.914 433 HB VAL 57 HB VAL 57 -6.516 2.534 -1.686 434 1HG1 VAL 57 HG11 VAL 57 -5.595 0.573 -2.826 435 2HG1 VAL 57 HG12 VAL 57 -5.819 1.388 -4.374 436 3HG1 VAL 57 HG13 VAL 57 -7.212 0.984 -3.381 437 1HG2 VAL 57 HG21 VAL 57 -4.203 3.230 -3.484 438 2HG2 VAL 57 HG22 VAL 57 -4.094 2.316 -1.982 439 3HG2 VAL 57 HG23 VAL 57 -4.603 4.003 -1.953 440 H PHE 58 HN PHE 58 -7.936 2.723 -5.504 441 HA PHE 58 HA PHE 58 -5.926 2.650 -7.355 442 1HB PHE 58 HB2 PHE 58 -8.853 3.233 -7.788 443 2HB PHE 58 HB1 PHE 58 -7.727 3.011 -9.115 444 HD1 PHE 58 HD1 PHE 58 -9.468 1.256 -9.710 445 HD2 PHE 58 HD2 PHE 58 -6.903 0.957 -6.327 446 HE1 PHE 58 HE1 PHE 58 -9.882 -1.161 -9.619 447 HE2 PHE 58 HE2 PHE 58 -7.313 -1.468 -6.233 448 HZ PHE 58 HZ PHE 58 -8.806 -2.524 -7.882 449 HA PRO 59 HA PRO 59 -7.081 7.204 -8.830 450 1HB PRO 59 HB2 PRO 59 -8.002 8.279 -6.219 451 2HB PRO 59 HB1 PRO 59 -8.600 8.609 -7.849 452 1HG PRO 59 HG2 PRO 59 -9.986 7.069 -6.175 453 2HG PRO 59 HG1 PRO 59 -9.898 6.690 -7.906 454 1HD PRO 59 HD2 PRO 59 -8.460 5.425 -5.609 455 2HD PRO 59 HD1 PRO 59 -9.147 4.677 -7.063 456 H LEU 60 HN LEU 60 -6.072 6.701 -5.457 457 HA LEU 60 HA LEU 60 -4.166 8.828 -5.471 458 1HB LEU 60 HB2 LEU 60 -4.927 8.296 -3.352 459 2HB LEU 60 HB1 LEU 60 -4.819 6.569 -3.631 460 HG LEU 60 HG LEU 60 -2.187 7.709 -3.759 461 1HD1 LEU 60 HD11 LEU 60 -2.079 8.345 -1.332 462 2HD1 LEU 60 HD12 LEU 60 -3.837 8.486 -1.390 463 3HD1 LEU 60 HD13 LEU 60 -2.835 9.500 -2.424 464 1HD2 LEU 60 HD21 LEU 60 -3.000 6.091 -1.440 465 2HD2 LEU 60 HD22 LEU 60 -1.670 5.859 -2.573 466 3HD2 LEU 60 HD23 LEU 60 -3.305 5.369 -3.018 467 H LEU 61 HN LEU 61 -3.860 5.284 -5.662 468 HA LEU 61 HA LEU 61 -1.063 5.260 -5.930 469 1HB LEU 61 HB2 LEU 61 -1.418 2.943 -6.855 470 2HB LEU 61 HB1 LEU 61 -2.077 3.250 -5.262 471 HG LEU 61 HG LEU 61 -4.274 3.755 -6.642 472 1HD1 LEU 61 HD11 LEU 61 -2.509 2.357 -8.538 473 2HD1 LEU 61 HD12 LEU 61 -3.844 3.466 -8.832 474 3HD1 LEU 61 HD13 LEU 61 -4.169 1.782 -8.431 475 1HD2 LEU 61 HD21 LEU 61 -4.869 1.346 -6.355 476 2HD2 LEU 61 HD22 LEU 61 -4.167 2.104 -4.928 477 3HD2 LEU 61 HD23 LEU 61 -3.185 1.043 -5.930 478 H GLU 62 HN GLU 62 -3.363 6.315 -8.181 479 HA GLU 62 HA GLU 62 -1.616 5.629 -10.436 480 1HB GLU 62 HB2 GLU 62 -3.477 6.071 -11.883 481 2HB GLU 62 HB1 GLU 62 -4.030 5.027 -10.583 482 1HG GLU 62 HG2 GLU 62 -5.236 6.742 -9.558 483 2HG GLU 62 HG1 GLU 62 -4.382 7.999 -10.452 484 H SER 63 HN SER 63 -2.351 8.185 -8.362 485 HA SER 63 HA SER 63 -1.454 10.180 -10.327 486 1HB SER 63 HB2 SER 63 -3.648 10.279 -8.713 487 2HB SER 63 HB1 SER 63 -2.461 11.127 -7.724 488 HG SER 63 HG SER 63 -3.294 12.683 -8.992 489 H ASP 64 HN ASP 64 0.556 10.909 -10.162 490 HA ASP 64 HA ASP 64 2.370 10.045 -8.211 491 1HB ASP 64 HB2 ASP 64 2.857 10.951 -10.553 492 2HB ASP 64 HB1 ASP 64 2.711 12.556 -9.844 493 H GLU 65 HN GLU 65 0.797 13.211 -8.619 494 HA GLU 65 HA GLU 65 1.932 14.453 -6.385 495 1HB GLU 65 HB2 GLU 65 -0.572 14.924 -7.964 496 2HB GLU 65 HB1 GLU 65 -0.245 15.870 -6.518 497 1HG GLU 65 HG2 GLU 65 1.890 15.657 -8.569 498 2HG GLU 65 HG1 GLU 65 0.496 16.682 -8.911 499 H LEU 66 HN LEU 66 -1.230 12.828 -6.695 500 HA LEU 66 HA LEU 66 -2.045 13.168 -4.044 501 1HB LEU 66 HB2 LEU 66 -3.108 12.024 -6.296 502 2HB LEU 66 HB1 LEU 66 -2.846 10.625 -5.273 503 HG LEU 66 HG LEU 66 -5.085 11.376 -4.927 504 1HD1 LEU 66 HD11 LEU 66 -3.850 12.576 -2.523 505 2HD1 LEU 66 HD12 LEU 66 -3.386 10.923 -2.930 506 3HD1 LEU 66 HD13 LEU 66 -5.082 11.322 -2.664 507 1HD2 LEU 66 HD21 LEU 66 -5.112 13.846 -3.819 508 2HD2 LEU 66 HD22 LEU 66 -5.430 13.520 -5.523 509 3HD2 LEU 66 HD23 LEU 66 -3.823 14.031 -5.008 510 H PHE 67 HN PHE 67 0.233 10.991 -5.471 511 HA PHE 67 HA PHE 67 0.316 9.158 -3.255 512 1HB PHE 67 HB2 PHE 67 1.041 8.785 -5.760 513 2HB PHE 67 HB1 PHE 67 2.581 9.431 -5.197 514 HD1 PHE 67 HD1 PHE 67 4.124 8.029 -4.112 515 HD2 PHE 67 HD2 PHE 67 0.061 6.811 -4.496 516 HE1 PHE 67 HE1 PHE 67 4.706 5.813 -3.226 517 HE2 PHE 67 HE2 PHE 67 0.648 4.598 -3.618 518 HZ PHE 67 HZ PHE 67 2.962 4.093 -2.978 519 H GLU 68 HN GLU 68 2.470 11.679 -4.510 520 HA GLU 68 HA GLU 68 4.558 11.632 -2.806 521 1HB GLU 68 HB2 GLU 68 3.059 13.976 -3.945 522 2HB GLU 68 HB1 GLU 68 4.513 14.196 -2.981 523 1HG GLU 68 HG2 GLU 68 4.983 12.218 -4.995 524 2HG GLU 68 HG1 GLU 68 4.318 13.677 -5.730 525 H GLN 69 HN GLN 69 1.481 13.301 -2.102 526 HA GLN 69 HA GLN 69 2.180 14.303 0.406 527 1HB GLN 69 HB2 GLN 69 -0.482 13.525 -0.766 528 2HB GLN 69 HB1 GLN 69 -0.334 14.245 0.831 529 1HG GLN 69 HG2 GLN 69 1.109 15.995 -0.615 530 2HG GLN 69 HG1 GLN 69 -0.051 15.460 -1.830 531 1HE2 GLN 69 HE21 GLN 69 -2.114 16.153 -1.723 532 2HE2 GLN 69 HE22 GLN 69 -2.722 17.222 -0.510 533 H HIS 70 HN HIS 70 0.208 11.418 -0.245 534 HA HIS 70 HA HIS 70 0.193 10.508 2.425 535 1HB HIS 70 HB2 HIS 70 -0.480 9.335 -0.220 536 2HB HIS 70 HB1 HIS 70 -0.167 8.197 1.085 537 HD2 HIS 70 HD2 HIS 70 -2.994 10.369 -0.236 538 HE1 HIS 70 HE1 HIS 70 -4.137 9.111 3.653 539 HE2 HIS 70 HE2 HIS 70 -4.875 10.268 1.539 540 H TYR 71 HN TYR 71 2.155 9.483 -0.346 541 HA TYR 71 HA TYR 71 3.761 7.671 1.098 542 1HB TYR 71 HB2 TYR 71 3.779 7.229 -1.155 543 2HB TYR 71 HB1 TYR 71 3.804 8.927 -1.601 544 HD1 TYR 71 HD1 TYR 71 5.689 9.625 -2.691 545 HD2 TYR 71 HD2 TYR 71 6.038 6.536 0.202 546 HE1 TYR 71 HE1 TYR 71 8.094 9.471 -3.157 547 HE2 TYR 71 HE2 TYR 71 8.438 6.368 -0.251 548 HH TYR 71 HH TYR 71 10.247 7.752 -1.161 549 H LYS 72 HN LYS 72 3.739 11.068 1.122 550 HA LYS 72 HA LYS 72 6.503 11.612 1.385 551 1HB LYS 72 HB2 LYS 72 4.868 13.373 0.898 552 2HB LYS 72 HB1 LYS 72 4.137 13.146 2.478 553 1HG LYS 72 HG2 LYS 72 6.371 13.772 3.462 554 2HG LYS 72 HG1 LYS 72 6.856 14.245 1.833 555 1HD LYS 72 HD2 LYS 72 4.285 15.308 2.871 556 2HD LYS 72 HD1 LYS 72 5.776 15.968 3.548 557 1HE LYS 72 HE2 LYS 72 6.422 16.095 0.971 558 2HE LYS 72 HE1 LYS 72 4.670 16.178 0.800 559 1HZ LYS 72 HZ1 LYS 72 5.607 17.919 2.853 560 2HZ LYS 72 HZ2 LYS 72 4.669 18.273 1.491 561 3HZ LYS 72 HZ3 LYS 72 6.355 18.260 1.374 562 H GLU 73 HN GLU 73 4.017 11.661 3.946 563 HA GLU 73 HA GLU 73 5.727 11.763 6.109 564 1HB GLU 73 HB2 GLU 73 2.933 11.144 5.671 565 2HB GLU 73 HB1 GLU 73 3.596 10.149 6.959 566 1HG GLU 73 HG2 GLU 73 3.649 11.853 8.382 567 2HG GLU 73 HG1 GLU 73 4.407 12.920 7.201 568 H ALA 74 HN ALA 74 4.688 8.952 4.251 569 HA ALA 74 HA ALA 74 5.939 7.069 6.020 570 1HB ALA 74 HB1 ALA 74 4.281 5.995 4.900 571 2HB ALA 74 HB2 ALA 74 5.632 5.612 3.835 572 3HB ALA 74 HB3 ALA 74 4.527 6.921 3.417 573 H SER 75 HN SER 75 6.887 8.903 3.201 574 HA SER 75 HA SER 75 9.106 7.431 2.372 575 1HB SER 75 HB2 SER 75 8.331 9.287 1.029 576 2HB SER 75 HB1 SER 75 8.638 10.425 2.339 577 HG SER 75 HG SER 75 10.267 10.067 0.505 578 H ALA 76 HN ALA 76 8.992 10.190 4.619 579 HA ALA 76 HA ALA 76 11.608 10.284 5.438 580 1HB ALA 76 HB1 ALA 76 9.713 10.511 7.667 581 2HB ALA 76 HB2 ALA 76 9.303 11.485 6.255 582 3HB ALA 76 HB3 ALA 76 10.871 11.683 7.038 583 H ALA 77 HN ALA 77 9.066 8.106 6.530 584 HA ALA 77 HA ALA 77 10.651 6.750 8.492 585 1HB ALA 77 HB1 ALA 77 8.497 5.146 7.415 586 2HB ALA 77 HB2 ALA 77 7.965 6.787 7.780 587 3HB ALA 77 HB3 ALA 77 8.710 5.801 9.039 588 H TYR 78 HN TYR 78 10.138 6.449 5.095 589 HA TYR 78 HA TYR 78 10.862 3.863 4.485 590 1HB TYR 78 HB2 TYR 78 10.193 5.788 2.913 591 2HB TYR 78 HB1 TYR 78 11.889 6.245 2.937 592 HD1 TYR 78 HD1 TYR 78 10.150 5.424 0.536 593 HD2 TYR 78 HD2 TYR 78 12.858 3.256 2.992 594 HE1 TYR 78 HE1 TYR 78 10.587 3.863 -1.321 595 HE2 TYR 78 HE2 TYR 78 13.296 1.702 1.163 596 HH TYR 78 HH TYR 78 11.761 0.991 -1.066 597 H GLU 79 HN GLU 79 13.048 6.649 4.713 598 HA GLU 79 HA GLU 79 15.433 5.174 4.470 599 1HB GLU 79 HB2 GLU 79 14.661 7.930 5.140 600 2HB GLU 79 HB1 GLU 79 16.199 7.416 5.819 601 1HG GLU 79 HG2 GLU 79 16.974 6.797 3.585 602 2HG GLU 79 HG1 GLU 79 15.432 7.319 2.909 603 H SER 80 HN SER 80 13.713 6.362 7.349 604 HA SER 80 HA SER 80 15.598 5.609 9.238 605 1HB SER 80 HB2 SER 80 12.600 5.601 9.624 606 2HB SER 80 HB1 SER 80 13.827 5.758 10.881 607 HG SER 80 HG SER 80 14.497 7.701 9.670 608 H PHE 81 HN PHE 81 12.820 3.778 7.996 609 HA PHE 81 HA PHE 81 13.299 1.470 9.559 610 1HB PHE 81 HB2 PHE 81 11.607 2.131 7.195 611 2HB PHE 81 HB1 PHE 81 11.888 0.433 7.558 612 HD1 PHE 81 HD1 PHE 81 11.373 -0.334 9.965 613 HD2 PHE 81 HD2 PHE 81 9.921 3.283 8.263 614 HE1 PHE 81 HE1 PHE 81 9.576 -0.270 11.648 615 HE2 PHE 81 HE2 PHE 81 8.123 3.359 9.943 616 HZ PHE 81 HZ PHE 81 7.950 1.580 11.639 617 H LYS 82 HN LYS 82 13.884 2.118 6.111 618 HA LYS 82 HA LYS 82 15.148 -0.273 5.491 619 1HB LYS 82 HB2 LYS 82 14.976 2.402 4.281 620 2HB LYS 82 HB1 LYS 82 16.352 1.430 3.777 621 1HG LYS 82 HG2 LYS 82 13.884 -0.089 3.809 622 2HG LYS 82 HG1 LYS 82 13.802 1.315 2.749 623 1HD LYS 82 HD2 LYS 82 16.148 -0.554 2.669 624 2HD LYS 82 HD1 LYS 82 14.673 -0.913 1.776 625 1HE LYS 82 HE2 LYS 82 15.591 0.290 0.127 626 2HE LYS 82 HE1 LYS 82 15.145 1.695 1.092 627 1HZ LYS 82 HZ1 LYS 82 17.375 1.508 2.159 628 2HZ LYS 82 HZ2 LYS 82 17.417 1.909 0.518 629 3HZ LYS 82 HZ3 LYS 82 17.776 0.332 1.011 630 H LYS 83 HN LYS 83 16.686 2.838 6.364 631 HA LYS 83 HA LYS 83 19.310 1.731 6.358 632 1HB LYS 83 HB2 LYS 83 18.190 4.321 7.407 633 2HB LYS 83 HB1 LYS 83 19.888 3.899 7.574 634 1HG LYS 83 HG2 LYS 83 19.208 3.468 4.875 635 2HG LYS 83 HG1 LYS 83 18.522 5.027 5.336 636 1HD LYS 83 HD2 LYS 83 20.863 5.458 6.380 637 2HD LYS 83 HD1 LYS 83 21.385 4.143 5.325 638 1HE LYS 83 HE2 LYS 83 20.363 5.388 3.410 639 2HE LYS 83 HE1 LYS 83 20.086 6.737 4.509 640 1HZ LYS 83 HZ1 LYS 83 22.177 7.389 4.270 641 2HZ LYS 83 HZ2 LYS 83 22.364 6.233 3.050 642 3HZ LYS 83 HZ3 LYS 83 22.784 5.854 4.643 643 H GLU 84 HN GLU 84 16.818 1.279 8.519 644 HA GLU 84 HA GLU 84 18.244 1.386 10.983 645 1HB GLU 84 HB2 GLU 84 15.612 1.172 10.331 646 2HB GLU 84 HB1 GLU 84 15.971 -0.485 10.787 647 1HG GLU 84 HG2 GLU 84 16.972 1.562 12.637 648 2HG GLU 84 HG1 GLU 84 15.218 1.446 12.513 649 H GLN 85 HN GLN 85 17.580 -1.127 8.609 650 HA GLN 85 HA GLN 85 18.929 -3.139 10.213 651 1HB GLN 85 HB2 GLN 85 18.382 -4.648 8.302 652 2HB GLN 85 HB1 GLN 85 16.981 -3.893 9.047 653 1HG GLN 85 HG2 GLN 85 16.345 -3.174 7.060 654 2HG GLN 85 HG1 GLN 85 17.798 -2.181 6.977 655 1HE2 GLN 85 HE21 GLN 85 16.444 -3.408 4.790 656 2HE2 GLN 85 HE22 GLN 85 17.546 -4.518 4.058 657 H GLU 86 HN GLU 86 20.521 -0.921 9.369 658 HA GLU 86 HA GLU 86 22.221 -1.973 7.251 659 1HB GLU 86 HB2 GLU 86 21.749 0.648 8.462 660 2HB GLU 86 HB1 GLU 86 23.456 0.302 8.226 661 1HG GLU 86 HG2 GLU 86 21.562 -0.185 5.984 662 2HG GLU 86 HG1 GLU 86 22.044 1.468 6.362 663 H GLN 87 HN GLN 87 21.923 -3.139 10.032 664 HA GLN 87 HA GLN 87 24.562 -2.768 11.173 665 1HB GLN 87 HB2 GLN 87 23.745 -4.327 12.932 666 2HB GLN 87 HB1 GLN 87 22.735 -2.902 12.735 667 1HG GLN 87 HG2 GLN 87 21.367 -4.482 11.146 668 2HG GLN 87 HG1 GLN 87 22.155 -5.746 12.086 669 1HE2 GLN 87 HE21 GLN 87 20.425 -6.479 13.207 670 2HE2 GLN 87 HE22 GLN 87 19.527 -5.529 14.336 671 H GLN 88 HN GLN 88 22.641 -5.397 9.750 672 HA GLN 88 HA GLN 88 24.854 -7.238 9.826 673 1HB GLN 88 HB2 GLN 88 22.009 -7.334 9.172 674 2HB GLN 88 HB1 GLN 88 22.986 -8.299 8.074 675 1HG GLN 88 HG2 GLN 88 23.528 -8.592 10.965 676 2HG GLN 88 HG1 GLN 88 22.007 -9.246 10.356 677 1HE2 GLN 88 HE21 GLN 88 23.378 -11.148 11.280 678 2HE2 GLN 88 HE22 GLN 88 24.274 -12.032 10.097 679 H THR 89 HN THR 89 26.063 -5.342 8.636 680 HA THR 89 HA THR 89 25.858 -5.806 5.734 681 HB THR 89 HB THR 89 27.350 -3.464 6.817 682 HG1 THR 89 HG1 THR 89 24.536 -3.726 6.803 683 1HG2 THR 89 HG21 THR 89 25.429 -3.028 4.692 684 2HG2 THR 89 HG22 THR 89 26.625 -4.261 4.293 685 3HG2 THR 89 HG23 THR 89 27.148 -2.645 4.767 686 H GLU 90 HN GLU 90 27.201 -7.590 5.623 687 HA GLU 90 HA GLU 90 29.841 -7.532 6.788 688 1HB GLU 90 HB2 GLU 90 28.185 -9.563 6.247 689 2HB GLU 90 HB1 GLU 90 29.105 -9.569 4.749 690 1HG GLU 90 HG2 GLU 90 30.375 -11.005 5.948 691 2HG GLU 90 HG1 GLU 90 31.144 -9.499 6.440 692 H GLN 91 HN GLN 91 31.706 -8.234 5.286 693 HA GLN 91 HA GLN 91 31.831 -6.285 3.124 694 1HB GLN 91 HB2 GLN 91 34.095 -8.020 4.089 695 2HB GLN 91 HB1 GLN 91 34.187 -6.480 3.249 696 1HG GLN 91 HG2 GLN 91 33.921 -5.277 5.135 697 2HG GLN 91 HG1 GLN 91 32.818 -6.446 5.859 698 1HE2 GLN 91 HE21 GLN 91 34.212 -8.719 5.946 699 2HE2 GLN 91 HE22 GLN 91 35.629 -8.545 6.918 700 H ALA 92 HN ALA 92 31.792 -9.730 3.659 701 HA ALA 92 HA ALA 92 32.714 -10.459 1.053 702 1HB ALA 92 HB1 ALA 92 32.389 -12.658 1.691 703 2HB ALA 92 HB2 ALA 92 31.037 -12.262 2.750 704 3HB ALA 92 HB3 ALA 92 32.685 -11.862 3.235 Start of MODEL 23 1 1H GLY 1 HT1 GLY 1 -29.376 -18.932 -25.259 2 2H GLY 1 HT2 GLY 1 -29.246 -19.251 -26.914 3 3H GLY 1 HT3 GLY 1 -28.700 -17.776 -26.294 4 1HA GLY 1 HA1 GLY 1 -27.513 -20.462 -25.933 5 2HA GLY 1 HA2 GLY 1 -26.774 -19.049 -26.668 6 HA PRO 2 HA PRO 2 -26.188 -19.394 -21.851 7 1HB PRO 2 HB2 PRO 2 -23.778 -20.709 -21.792 8 2HB PRO 2 HB1 PRO 2 -25.342 -21.495 -21.557 9 1HG PRO 2 HG2 PRO 2 -23.642 -21.349 -24.010 10 2HG PRO 2 HG1 PRO 2 -24.574 -22.714 -23.371 11 1HD PRO 2 HD2 PRO 2 -25.457 -21.223 -25.435 12 2HD PRO 2 HD1 PRO 2 -26.566 -21.925 -24.239 13 H LEU 3 HN LEU 3 -24.390 -18.349 -20.683 14 HA LEU 3 HA LEU 3 -23.068 -16.386 -22.410 15 1HB LEU 3 HB2 LEU 3 -23.666 -16.393 -19.453 16 2HB LEU 3 HB1 LEU 3 -22.674 -15.175 -20.226 17 HG LEU 3 HG LEU 3 -24.861 -14.269 -19.935 18 1HD1 LEU 3 HD11 LEU 3 -23.922 -13.511 -21.944 19 2HD1 LEU 3 HD12 LEU 3 -25.577 -13.964 -22.347 20 3HD1 LEU 3 HD13 LEU 3 -24.243 -15.035 -22.771 21 1HD2 LEU 3 HD21 LEU 3 -26.634 -15.593 -19.845 22 2HD2 LEU 3 HD22 LEU 3 -25.716 -16.938 -20.514 23 3HD2 LEU 3 HD23 LEU 3 -26.532 -15.808 -21.591 24 H GLY 4 HN GLY 4 -22.420 -18.700 -19.821 25 1HA GLY 4 HA2 GLY 4 -19.557 -18.179 -19.977 26 2HA GLY 4 HA1 GLY 4 -20.358 -19.271 -18.858 27 H SER 5 HN SER 5 -18.885 -18.923 -21.973 28 HA SER 5 HA SER 5 -19.601 -21.532 -22.920 29 1HB SER 5 HB2 SER 5 -18.783 -19.308 -24.194 30 2HB SER 5 HB1 SER 5 -17.245 -20.162 -24.088 31 HG SER 5 HG SER 5 -19.560 -21.486 -24.994 32 HA PRO 6 HA PRO 6 -15.078 -22.641 -21.794 33 1HB PRO 6 HB2 PRO 6 -13.610 -20.923 -20.313 34 2HB PRO 6 HB1 PRO 6 -13.686 -20.839 -22.076 35 1HG PRO 6 HG2 PRO 6 -15.105 -19.185 -20.036 36 2HG PRO 6 HG1 PRO 6 -14.389 -18.693 -21.580 37 1HD PRO 6 HD2 PRO 6 -17.071 -19.123 -21.197 38 2HD PRO 6 HD1 PRO 6 -16.255 -19.267 -22.763 39 H ARG 7 HN ARG 7 -16.199 -20.506 -19.154 40 HA ARG 7 HA ARG 7 -15.753 -22.673 -17.249 41 1HB ARG 7 HB2 ARG 7 -15.700 -19.793 -17.137 42 2HB ARG 7 HB1 ARG 7 -16.792 -20.422 -15.911 43 1HG ARG 7 HG2 ARG 7 -14.958 -20.624 -14.658 44 2HG ARG 7 HG1 ARG 7 -14.630 -22.061 -15.629 45 1HD ARG 7 HD2 ARG 7 -12.638 -20.858 -15.738 46 2HD ARG 7 HD1 ARG 7 -13.453 -20.454 -17.247 47 HE ARG 7 HE ARG 7 -13.875 -18.299 -16.428 48 1HH1 ARG 7 HH11 ARG 7 -12.115 -20.236 -14.108 49 2HH1 ARG 7 HH12 ARG 7 -11.614 -18.872 -13.170 50 1HH2 ARG 7 HH21 ARG 7 -13.218 -16.513 -15.187 51 2HH2 ARG 7 HH22 ARG 7 -12.240 -16.761 -13.779 52 H ASN 8 HN ASN 8 -17.360 -23.591 -16.005 53 HA ASN 8 HA ASN 8 -20.098 -23.111 -16.960 54 1HB ASN 8 HB2 ASN 8 -18.632 -25.488 -16.633 55 2HB ASN 8 HB1 ASN 8 -19.830 -25.489 -15.343 56 1HD2 ASN 8 HD21 ASN 8 -21.620 -26.491 -15.867 57 2HD2 ASN 8 HD22 ASN 8 -22.334 -26.559 -17.439 58 H ALA 9 HN ALA 9 -21.617 -24.156 -15.015 59 HA ALA 9 HA ALA 9 -21.456 -22.139 -12.967 60 1HB ALA 9 HB1 ALA 9 -23.559 -23.169 -14.143 61 2HB ALA 9 HB2 ALA 9 -23.632 -22.667 -12.454 62 3HB ALA 9 HB3 ALA 9 -23.429 -24.371 -12.859 63 H ASN 10 HN ASN 10 -19.703 -22.569 -11.663 64 HA ASN 10 HA ASN 10 -19.519 -25.193 -10.387 65 1HB ASN 10 HB2 ASN 10 -17.638 -23.078 -11.053 66 2HB ASN 10 HB1 ASN 10 -17.473 -23.586 -9.374 67 1HD2 ASN 10 HD21 ASN 10 -16.325 -24.098 -12.354 68 2HD2 ASN 10 HD22 ASN 10 -15.809 -25.741 -12.211 69 H ASP 11 HN ASP 11 -18.737 -24.983 -7.969 70 HA ASP 11 HA ASP 11 -20.836 -23.477 -6.605 71 1HB ASP 11 HB2 ASP 11 -18.989 -25.654 -5.606 72 2HB ASP 11 HB1 ASP 11 -20.244 -24.880 -4.643 73 H ASN 12 HN ASN 12 -18.020 -22.540 -7.624 74 HA ASN 12 HA ASN 12 -17.003 -21.470 -5.096 75 1HB ASN 12 HB2 ASN 12 -15.829 -22.069 -7.729 76 2HB ASN 12 HB1 ASN 12 -15.273 -20.562 -7.007 77 1HD2 ASN 12 HD21 ASN 12 -14.564 -20.732 -4.708 78 2HD2 ASN 12 HD22 ASN 12 -13.670 -22.140 -4.257 79 H ASN 13 HN ASN 13 -16.145 -19.151 -5.271 80 HA ASN 13 HA ASN 13 -18.374 -17.480 -5.983 81 1HB ASN 13 HB2 ASN 13 -15.860 -17.177 -4.456 82 2HB ASN 13 HB1 ASN 13 -16.460 -15.717 -5.239 83 1HD2 ASN 13 HD21 ASN 13 -16.667 -15.004 -2.996 84 2HD2 ASN 13 HD22 ASN 13 -18.118 -15.389 -2.139 85 H GLN 14 HN GLN 14 -18.262 -15.614 -7.337 86 HA GLN 14 HA GLN 14 -16.800 -16.122 -9.771 87 1HB GLN 14 HB2 GLN 14 -19.222 -15.197 -9.501 88 2HB GLN 14 HB1 GLN 14 -18.423 -13.649 -9.265 89 1HG GLN 14 HG2 GLN 14 -18.475 -13.428 -11.470 90 2HG GLN 14 HG1 GLN 14 -17.210 -14.655 -11.526 91 1HE2 GLN 14 HE21 GLN 14 -19.663 -13.893 -13.209 92 2HE2 GLN 14 HE22 GLN 14 -20.423 -15.415 -13.514 93 H PHE 15 HN PHE 15 -14.660 -15.848 -8.819 94 HA PHE 15 HA PHE 15 -13.866 -13.209 -7.957 95 1HB PHE 15 HB2 PHE 15 -12.215 -15.675 -8.557 96 2HB PHE 15 HB1 PHE 15 -11.590 -14.192 -7.845 97 HD1 PHE 15 HD1 PHE 15 -12.361 -17.380 -7.050 98 HD2 PHE 15 HD2 PHE 15 -13.301 -13.432 -5.768 99 HE1 PHE 15 HE1 PHE 15 -12.892 -18.240 -4.806 100 HE2 PHE 15 HE2 PHE 15 -13.834 -14.286 -3.522 101 HZ PHE 15 HZ PHE 15 -13.628 -16.692 -3.038 102 H TYR 16 HN TYR 16 -14.995 -13.049 -10.468 103 HA TYR 16 HA TYR 16 -13.063 -13.141 -12.556 104 1HB TYR 16 HB2 TYR 16 -15.516 -13.327 -12.920 105 2HB TYR 16 HB1 TYR 16 -15.680 -11.634 -12.465 106 HD1 TYR 16 HD1 TYR 16 -14.335 -13.936 -15.007 107 HD2 TYR 16 HD2 TYR 16 -15.142 -9.885 -13.995 108 HE1 TYR 16 HE1 TYR 16 -13.919 -13.278 -17.338 109 HE2 TYR 16 HE2 TYR 16 -14.729 -9.213 -16.325 110 HH TYR 16 HH TYR 16 -14.692 -10.152 -18.532 111 H GLN 17 HN GLN 17 -14.757 -10.340 -11.130 112 HA GLN 17 HA GLN 17 -12.649 -8.582 -12.063 113 1HB GLN 17 HB2 GLN 17 -14.110 -6.812 -10.910 114 2HB GLN 17 HB1 GLN 17 -14.758 -7.607 -12.338 115 1HG GLN 17 HG2 GLN 17 -16.437 -7.357 -10.588 116 2HG GLN 17 HG1 GLN 17 -16.119 -9.052 -10.949 117 1HE2 GLN 17 HE21 GLN 17 -16.163 -10.241 -9.194 118 2HE2 GLN 17 HE22 GLN 17 -15.563 -9.794 -7.637 119 H GLN 18 HN GLN 18 -12.064 -10.578 -9.985 120 HA GLN 18 HA GLN 18 -11.745 -9.143 -7.517 121 1HB GLN 18 HB2 GLN 18 -12.070 -11.646 -7.717 122 2HB GLN 18 HB1 GLN 18 -10.424 -11.736 -8.329 123 1HG GLN 18 HG2 GLN 18 -10.115 -10.298 -6.023 124 2HG GLN 18 HG1 GLN 18 -11.399 -11.429 -5.601 125 1HE2 GLN 18 HE21 GLN 18 -10.371 -12.855 -4.344 126 2HE2 GLN 18 HE22 GLN 18 -8.994 -13.783 -4.821 127 H LYS 19 HN LYS 19 -9.668 -10.173 -10.191 128 HA LYS 19 HA LYS 19 -7.220 -9.349 -9.141 129 1HB LYS 19 HB2 LYS 19 -8.189 -10.308 -11.641 130 2HB LYS 19 HB1 LYS 19 -7.209 -8.882 -11.953 131 1HG LYS 19 HG2 LYS 19 -5.825 -10.835 -12.075 132 2HG LYS 19 HG1 LYS 19 -5.376 -9.900 -10.648 133 1HD LYS 19 HD2 LYS 19 -5.539 -11.859 -9.565 134 2HD LYS 19 HD1 LYS 19 -7.277 -11.567 -9.634 135 1HE LYS 19 HE2 LYS 19 -7.578 -13.341 -10.938 136 2HE LYS 19 HE1 LYS 19 -6.382 -12.752 -12.091 137 1HZ LYS 19 HZ1 LYS 19 -5.499 -14.043 -9.598 138 2HZ LYS 19 HZ2 LYS 19 -4.703 -13.936 -11.086 139 3HZ LYS 19 HZ3 LYS 19 -6.007 -14.996 -10.901 140 H GLN 20 HN GLN 20 -9.799 -7.550 -10.591 141 HA GLN 20 HA GLN 20 -8.523 -5.205 -11.333 142 1HB GLN 20 HB2 GLN 20 -11.281 -5.776 -10.288 143 2HB GLN 20 HB1 GLN 20 -10.780 -4.126 -10.634 144 1HG GLN 20 HG2 GLN 20 -10.072 -5.184 -12.938 145 2HG GLN 20 HG1 GLN 20 -11.279 -6.388 -12.489 146 1HE2 GLN 20 HE21 GLN 20 -10.716 -3.217 -13.631 147 2HE2 GLN 20 HE22 GLN 20 -12.367 -2.740 -13.805 148 H ARG 21 HN ARG 21 -10.043 -5.929 -8.186 149 HA ARG 21 HA ARG 21 -9.388 -3.619 -6.829 150 1HB ARG 21 HB2 ARG 21 -10.243 -6.273 -6.136 151 2HB ARG 21 HB1 ARG 21 -9.057 -5.699 -4.972 152 1HG ARG 21 HG2 ARG 21 -10.376 -3.723 -4.536 153 2HG ARG 21 HG1 ARG 21 -11.534 -4.188 -5.784 154 1HD ARG 21 HD2 ARG 21 -11.475 -6.414 -4.201 155 2HD ARG 21 HD1 ARG 21 -11.260 -5.125 -3.021 156 HE ARG 21 HE ARG 21 -13.592 -5.548 -4.741 157 1HH1 ARG 21 HH11 ARG 21 -12.039 -3.717 -2.202 158 2HH1 ARG 21 HH12 ARG 21 -13.501 -2.945 -1.696 159 1HH2 ARG 21 HH21 ARG 21 -15.512 -4.524 -4.078 160 2HH2 ARG 21 HH22 ARG 21 -15.472 -3.398 -2.762 161 H GLN 22 HN GLN 22 -7.492 -6.646 -6.857 162 HA GLN 22 HA GLN 22 -5.256 -5.441 -5.549 163 1HB GLN 22 HB2 GLN 22 -5.406 -8.042 -7.078 164 2HB GLN 22 HB1 GLN 22 -4.104 -7.553 -6.003 165 1HG GLN 22 HG2 GLN 22 -6.717 -7.447 -4.735 166 2HG GLN 22 HG1 GLN 22 -6.294 -9.056 -5.319 167 1HE2 GLN 22 HE21 GLN 22 -5.582 -6.546 -3.062 168 2HE2 GLN 22 HE22 GLN 22 -4.443 -7.431 -2.110 169 H ALA 23 HN ALA 23 -6.381 -5.205 -8.690 170 HA ALA 23 HA ALA 23 -3.927 -5.276 -10.124 171 1HB ALA 23 HB1 ALA 23 -6.555 -5.128 -10.854 172 2HB ALA 23 HB2 ALA 23 -5.187 -4.893 -11.940 173 3HB ALA 23 HB3 ALA 23 -5.985 -3.500 -11.210 174 H LEU 24 HN LEU 24 -5.977 -2.468 -9.374 175 HA LEU 24 HA LEU 24 -3.879 -0.628 -9.837 176 1HB LEU 24 HB2 LEU 24 -6.664 -0.492 -8.875 177 2HB LEU 24 HB1 LEU 24 -5.632 0.863 -8.474 178 HG LEU 24 HG LEU 24 -6.889 1.297 -10.511 179 1HD1 LEU 24 HD11 LEU 24 -3.947 1.124 -10.500 180 2HD1 LEU 24 HD12 LEU 24 -5.008 2.499 -10.807 181 3HD1 LEU 24 HD13 LEU 24 -4.700 1.320 -12.083 182 1HD2 LEU 24 HD21 LEU 24 -6.168 -0.125 -12.547 183 2HD2 LEU 24 HD22 LEU 24 -7.378 -0.770 -11.436 184 3HD2 LEU 24 HD23 LEU 24 -5.705 -1.322 -11.338 185 H GLY 25 HN GLY 25 -5.182 -2.155 -6.938 186 1HA GLY 25 HA2 GLY 25 -3.894 -0.559 -5.017 187 2HA GLY 25 HA1 GLY 25 -4.381 -2.231 -4.781 188 H GLU 26 HN GLU 26 -2.793 -3.505 -6.680 189 HA GLU 26 HA GLU 26 -0.382 -3.828 -5.317 190 1HB GLU 26 HB2 GLU 26 -1.568 -5.240 -7.235 191 2HB GLU 26 HB1 GLU 26 -0.447 -4.353 -8.253 192 1HG GLU 26 HG2 GLU 26 1.381 -5.163 -6.714 193 2HG GLU 26 HG1 GLU 26 0.178 -6.240 -6.007 194 H GLN 27 HN GLN 27 -1.364 -1.564 -7.772 195 HA GLN 27 HA GLN 27 1.173 -0.716 -8.620 196 1HB GLN 27 HB2 GLN 27 -1.283 1.018 -8.440 197 2HB GLN 27 HB1 GLN 27 0.084 1.211 -9.529 198 1HG GLN 27 HG2 GLN 27 -0.854 -1.358 -10.017 199 2HG GLN 27 HG1 GLN 27 -2.299 -0.373 -9.830 200 1HE2 GLN 27 HE21 GLN 27 0.881 -0.178 -11.384 201 2HE2 GLN 27 HE22 GLN 27 0.308 0.489 -12.868 202 H LEU 28 HN LEU 28 -0.718 -0.047 -5.796 203 HA LEU 28 HA LEU 28 0.481 2.299 -4.854 204 1HB LEU 28 HB2 LEU 28 -1.548 0.950 -3.963 205 2HB LEU 28 HB1 LEU 28 -0.360 0.032 -3.060 206 HG LEU 28 HG LEU 28 0.381 2.194 -2.002 207 1HD1 LEU 28 HD11 LEU 28 -1.262 4.050 -2.097 208 2HD1 LEU 28 HD12 LEU 28 -2.080 3.201 -3.406 209 3HD1 LEU 28 HD13 LEU 28 -0.422 3.761 -3.620 210 1HD2 LEU 28 HD21 LEU 28 -0.899 0.980 -0.541 211 2HD2 LEU 28 HD22 LEU 28 -2.291 0.936 -1.624 212 3HD2 LEU 28 HD23 LEU 28 -1.922 2.406 -0.721 213 H TYR 29 HN TYR 29 1.244 -1.080 -4.123 214 HA TYR 29 HA TYR 29 3.505 -0.563 -2.535 215 1HB TYR 29 HB2 TYR 29 2.366 -2.670 -2.389 216 2HB TYR 29 HB1 TYR 29 2.662 -3.007 -4.089 217 HD1 TYR 29 HD1 TYR 29 4.844 -1.973 -1.224 218 HD2 TYR 29 HD2 TYR 29 4.114 -4.756 -4.355 219 HE1 TYR 29 HE1 TYR 29 6.899 -3.179 -0.624 220 HE2 TYR 29 HE2 TYR 29 6.169 -5.970 -3.766 221 HH TYR 29 HH TYR 29 8.306 -5.523 -2.620 222 H LYS 30 HN LYS 30 3.328 -1.582 -5.958 223 HA LYS 30 HA LYS 30 6.066 -1.636 -6.474 224 1HB LYS 30 HB2 LYS 30 5.492 -1.445 -8.817 225 2HB LYS 30 HB1 LYS 30 4.314 -2.479 -8.015 226 1HG LYS 30 HG2 LYS 30 2.708 -0.717 -7.967 227 2HG LYS 30 HG1 LYS 30 3.886 0.445 -8.566 228 1HD LYS 30 HD2 LYS 30 3.187 -1.999 -10.155 229 2HD LYS 30 HD1 LYS 30 2.184 -0.548 -10.228 230 1HE LYS 30 HE2 LYS 30 4.249 0.745 -10.800 231 2HE LYS 30 HE1 LYS 30 5.107 -0.790 -10.925 232 1HZ LYS 30 HZ1 LYS 30 4.474 -0.703 -13.051 233 2HZ LYS 30 HZ2 LYS 30 3.263 0.442 -12.765 234 3HZ LYS 30 HZ3 LYS 30 2.954 -1.198 -12.493 235 H LYS 31 HN LYS 31 3.856 1.051 -6.277 236 HA LYS 31 HA LYS 31 5.351 3.002 -7.614 237 1HB LYS 31 HB2 LYS 31 2.930 3.070 -6.664 238 2HB LYS 31 HB1 LYS 31 3.699 3.642 -5.191 239 1HG LYS 31 HG2 LYS 31 3.681 5.690 -6.012 240 2HG LYS 31 HG1 LYS 31 4.765 5.170 -7.299 241 1HD LYS 31 HD2 LYS 31 2.308 4.251 -8.138 242 2HD LYS 31 HD1 LYS 31 1.918 5.795 -7.380 243 1HE LYS 31 HE2 LYS 31 2.363 6.152 -9.716 244 2HE LYS 31 HE1 LYS 31 3.663 6.869 -8.766 245 1HZ LYS 31 HZ1 LYS 31 3.993 4.120 -9.724 246 2HZ LYS 31 HZ2 LYS 31 5.158 5.320 -9.474 247 3HZ LYS 31 HZ3 LYS 31 4.163 5.379 -10.840 248 H VAL 32 HN VAL 32 5.563 1.734 -4.367 249 HA VAL 32 HA VAL 32 7.471 3.739 -3.506 250 HB VAL 32 HB VAL 32 6.952 1.136 -2.098 251 1HG1 VAL 32 HG11 VAL 32 8.110 3.792 -1.405 252 2HG1 VAL 32 HG12 VAL 32 8.701 2.174 -1.029 253 3HG1 VAL 32 HG13 VAL 32 7.330 2.839 -0.144 254 1HG2 VAL 32 HG21 VAL 32 4.787 2.214 -2.611 255 2HG2 VAL 32 HG22 VAL 32 5.349 3.673 -1.794 256 3HG2 VAL 32 HG23 VAL 32 5.141 2.177 -0.883 257 H SER 33 HN SER 33 7.586 0.278 -4.360 258 HA SER 33 HA SER 33 10.424 0.121 -4.035 259 1HB SER 33 HB2 SER 33 9.637 -2.023 -5.651 260 2HB SER 33 HB1 SER 33 9.839 -2.036 -3.900 261 HG SER 33 HG SER 33 7.787 -2.551 -3.991 262 H ALA 34 HN ALA 34 8.888 1.903 -6.189 263 HA ALA 34 HA ALA 34 9.746 1.114 -8.717 264 1HB ALA 34 HB1 ALA 34 9.761 4.012 -8.180 265 2HB ALA 34 HB2 ALA 34 8.266 3.165 -7.784 266 3HB ALA 34 HB3 ALA 34 8.914 3.089 -9.422 267 H LYS 35 HN LYS 35 11.562 2.236 -6.044 268 HA LYS 35 HA LYS 35 13.836 2.958 -7.751 269 1HB LYS 35 HB2 LYS 35 12.906 4.415 -5.794 270 2HB LYS 35 HB1 LYS 35 13.788 3.286 -4.774 271 1HG LYS 35 HG2 LYS 35 15.188 5.157 -5.151 272 2HG LYS 35 HG1 LYS 35 15.834 3.814 -6.094 273 1HD LYS 35 HD2 LYS 35 15.817 5.192 -7.849 274 2HD LYS 35 HD1 LYS 35 14.059 5.050 -7.827 275 1HE LYS 35 HE2 LYS 35 14.901 6.971 -5.870 276 2HE LYS 35 HE1 LYS 35 15.618 7.360 -7.433 277 1HZ LYS 35 HZ1 LYS 35 13.410 7.284 -8.420 278 2HZ LYS 35 HZ2 LYS 35 13.471 8.420 -7.170 279 3HZ LYS 35 HZ3 LYS 35 12.726 6.924 -6.915 280 H THR 36 HN THR 36 12.667 0.495 -5.646 281 HA THR 36 HA THR 36 14.872 -1.208 -6.209 282 HB THR 36 HB THR 36 15.994 0.117 -4.511 283 HG1 THR 36 HG1 THR 36 15.909 -2.384 -4.471 284 1HG2 THR 36 HG21 THR 36 15.050 -0.172 -2.108 285 2HG2 THR 36 HG22 THR 36 13.507 -0.350 -2.944 286 3HG2 THR 36 HG23 THR 36 14.455 1.125 -3.145 287 H SER 37 HN SER 37 14.544 -3.368 -5.460 288 HA SER 37 HA SER 37 11.748 -3.980 -4.978 289 1HB SER 37 HB2 SER 37 14.125 -5.791 -5.471 290 2HB SER 37 HB1 SER 37 12.451 -6.331 -5.342 291 HG SER 37 HG SER 37 13.469 -4.511 -7.268 292 H ASN 38 HN ASN 38 12.904 -2.699 -2.819 293 HA ASN 38 HA ASN 38 13.706 -4.644 -0.848 294 1HB ASN 38 HB2 ASN 38 13.396 -1.690 -0.926 295 2HB ASN 38 HB1 ASN 38 13.237 -2.468 0.647 296 1HD2 ASN 38 HD21 ASN 38 14.992 -3.810 1.370 297 2HD2 ASN 38 HD22 ASN 38 16.605 -3.452 0.867 298 H GLU 39 HN GLU 39 12.072 -6.089 -0.522 299 HA GLU 39 HA GLU 39 9.353 -5.565 -0.395 300 1HB GLU 39 HB2 GLU 39 10.551 -7.817 -0.479 301 2HB GLU 39 HB1 GLU 39 10.704 -7.680 1.268 302 1HG GLU 39 HG2 GLU 39 8.006 -7.164 0.638 303 2HG GLU 39 HG1 GLU 39 8.491 -8.586 -0.285 304 H GLU 40 HN GLU 40 11.818 -5.083 2.005 305 HA GLU 40 HA GLU 40 9.931 -4.696 4.166 306 1HB GLU 40 HB2 GLU 40 12.916 -4.220 4.025 307 2HB GLU 40 HB1 GLU 40 11.943 -4.107 5.486 308 1HG GLU 40 HG2 GLU 40 11.372 -6.466 5.306 309 2HG GLU 40 HG1 GLU 40 12.315 -6.587 3.822 310 H ALA 41 HN ALA 41 11.520 -2.790 1.770 311 HA ALA 41 HA ALA 41 11.246 -0.264 3.099 312 1HB ALA 41 HB1 ALA 41 11.942 -1.109 0.316 313 2HB ALA 41 HB2 ALA 41 12.961 -0.319 1.517 314 3HB ALA 41 HB3 ALA 41 11.675 0.578 0.717 315 H ALA 42 HN ALA 42 9.883 -1.254 -0.004 316 HA ALA 42 HA ALA 42 7.832 0.610 -0.055 317 1HB ALA 42 HB1 ALA 42 8.263 -1.985 -1.484 318 2HB ALA 42 HB2 ALA 42 8.395 -0.335 -2.100 319 3HB ALA 42 HB3 ALA 42 6.807 -1.023 -1.749 320 H GLY 43 HN GLY 43 7.956 -2.592 1.372 321 1HA GLY 43 HA2 GLY 43 5.161 -2.873 1.794 322 2HA GLY 43 HA1 GLY 43 6.430 -3.746 2.644 323 H LYS 44 HN LYS 44 7.667 -1.114 3.421 324 HA LYS 44 HA LYS 44 6.296 -0.853 5.920 325 1HB LYS 44 HB2 LYS 44 8.728 0.277 4.669 326 2HB LYS 44 HB1 LYS 44 7.971 1.271 5.904 327 1HG LYS 44 HG2 LYS 44 8.644 -1.615 6.370 328 2HG LYS 44 HG1 LYS 44 9.804 -0.316 6.645 329 1HD LYS 44 HD2 LYS 44 8.877 -0.533 8.736 330 2HD LYS 44 HD1 LYS 44 7.856 0.727 8.047 331 1HE LYS 44 HE2 LYS 44 6.035 -0.566 8.138 332 2HE LYS 44 HE1 LYS 44 6.890 -1.962 7.482 333 1HZ LYS 44 HZ1 LYS 44 7.271 -2.783 9.517 334 2HZ LYS 44 HZ2 LYS 44 5.995 -1.786 9.998 335 3HZ LYS 44 HZ3 LYS 44 7.592 -1.269 10.202 336 H ILE 45 HN ILE 45 6.863 1.367 3.218 337 HA ILE 45 HA ILE 45 5.168 3.425 4.153 338 HB ILE 45 HB ILE 45 6.169 2.769 1.384 339 1HG1 ILE 45 HG12 ILE 45 7.089 4.927 3.286 340 2HG1 ILE 45 HG11 ILE 45 7.830 3.332 3.201 341 1HG2 ILE 45 HG21 ILE 45 4.180 4.671 2.171 342 2HG2 ILE 45 HG22 ILE 45 4.805 4.303 0.563 343 3HG2 ILE 45 HG23 ILE 45 5.609 5.509 1.565 344 1HD1 ILE 45 HD11 ILE 45 8.763 5.381 1.867 345 2HD1 ILE 45 HD12 ILE 45 7.539 4.874 0.704 346 3HD1 ILE 45 HD13 ILE 45 8.798 3.746 1.204 347 H THR 46 HN THR 46 4.676 0.648 2.045 348 HA THR 46 HA THR 46 2.146 1.251 1.041 349 HB THR 46 HB THR 46 3.369 -1.426 1.740 350 HG1 THR 46 HG1 THR 46 3.074 -0.086 -0.737 351 1HG2 THR 46 HG21 THR 46 1.377 -1.417 -0.377 352 2HG2 THR 46 HG22 THR 46 0.703 -1.075 1.216 353 3HG2 THR 46 HG23 THR 46 1.625 -2.554 0.947 354 H GLY 47 HN GLY 47 3.095 -0.267 4.103 355 1HA GLY 47 HA2 GLY 47 0.512 -0.926 4.997 356 2HA GLY 47 HA1 GLY 47 1.910 -0.652 6.029 357 H MET 48 HN MET 48 2.245 2.094 4.928 358 HA MET 48 HA MET 48 0.498 3.417 6.788 359 1HB MET 48 HB2 MET 48 2.697 4.319 4.953 360 2HB MET 48 HB1 MET 48 1.642 5.500 5.721 361 1HG MET 48 HG2 MET 48 2.448 3.764 7.761 362 2HG MET 48 HG1 MET 48 3.890 4.078 6.798 363 1HE MET 48 HE1 MET 48 5.311 5.587 7.130 364 2HE MET 48 HE2 MET 48 5.237 5.858 8.873 365 3HE MET 48 HE3 MET 48 5.158 7.226 7.764 366 H ILE 49 HN ILE 49 0.942 3.451 3.242 367 HA ILE 49 HA ILE 49 -1.364 5.102 2.813 368 HB ILE 49 HB ILE 49 -0.112 3.327 0.727 369 1HG1 ILE 49 HG12 ILE 49 0.782 6.150 0.991 370 2HG1 ILE 49 HG11 ILE 49 1.454 4.990 2.132 371 1HG2 ILE 49 HG21 ILE 49 -1.864 5.734 0.752 372 2HG2 ILE 49 HG22 ILE 49 -1.984 4.260 -0.209 373 3HG2 ILE 49 HG23 ILE 49 -0.774 5.479 -0.611 374 1HD1 ILE 49 HD11 ILE 49 1.938 5.315 -0.739 375 2HD1 ILE 49 HD12 ILE 49 1.761 3.648 -0.190 376 3HD1 ILE 49 HD13 ILE 49 2.983 4.688 0.531 377 H LEU 50 HN LEU 50 -1.143 2.074 3.945 378 HA LEU 50 HA LEU 50 -3.059 0.674 2.375 379 1HB LEU 50 HB2 LEU 50 -1.309 0.062 4.467 380 2HB LEU 50 HB1 LEU 50 -2.908 -0.225 5.125 381 HG LEU 50 HG LEU 50 -1.942 -2.262 4.175 382 1HD1 LEU 50 HD11 LEU 50 -4.439 -1.660 4.068 383 2HD1 LEU 50 HD12 LEU 50 -3.856 -3.003 3.086 384 3HD1 LEU 50 HD13 LEU 50 -4.160 -1.434 2.341 385 1HD2 LEU 50 HD21 LEU 50 -1.168 -0.502 2.076 386 2HD2 LEU 50 HD22 LEU 50 -2.189 -1.768 1.400 387 3HD2 LEU 50 HD23 LEU 50 -0.742 -2.196 2.314 388 H ASP 51 HN ASP 51 -3.577 3.413 3.885 389 HA ASP 51 HA ASP 51 -5.926 2.777 5.435 390 1HB ASP 51 HB2 ASP 51 -4.353 5.227 4.813 391 2HB ASP 51 HB1 ASP 51 -6.054 5.446 5.212 392 H LEU 52 HN LEU 52 -5.113 3.683 2.181 393 HA LEU 52 HA LEU 52 -7.770 4.547 1.469 394 1HB LEU 52 HB2 LEU 52 -5.424 3.766 -0.260 395 2HB LEU 52 HB1 LEU 52 -6.905 4.490 -0.847 396 HG LEU 52 HG LEU 52 -5.343 6.234 -0.791 397 1HD1 LEU 52 HD11 LEU 52 -6.816 6.507 1.813 398 2HD1 LEU 52 HD12 LEU 52 -7.538 6.772 0.225 399 3HD1 LEU 52 HD13 LEU 52 -6.214 7.802 0.776 400 1HD2 LEU 52 HD21 LEU 52 -4.621 5.565 2.050 401 2HD2 LEU 52 HD22 LEU 52 -3.825 6.704 0.965 402 3HD2 LEU 52 HD23 LEU 52 -3.722 4.972 0.653 403 HA PRO 53 HA PRO 53 -9.368 0.335 1.336 404 1HB PRO 53 HB2 PRO 53 -11.319 1.590 -0.507 405 2HB PRO 53 HB1 PRO 53 -11.599 0.609 0.929 406 1HG PRO 53 HG2 PRO 53 -11.927 3.309 0.882 407 2HG PRO 53 HG1 PRO 53 -11.505 2.398 2.339 408 1HD PRO 53 HD2 PRO 53 -9.856 4.216 0.725 409 2HD PRO 53 HD1 PRO 53 -9.629 3.672 2.395 410 HA PRO 54 HA PRO 54 -7.893 -1.605 -2.326 411 1HB PRO 54 HB2 PRO 54 -10.731 -2.404 -2.867 412 2HB PRO 54 HB1 PRO 54 -9.258 -3.382 -2.928 413 1HG PRO 54 HG2 PRO 54 -10.834 -3.575 -0.822 414 2HG PRO 54 HG1 PRO 54 -9.077 -3.481 -0.596 415 1HD PRO 54 HD2 PRO 54 -11.157 -1.374 -0.186 416 2HD PRO 54 HD1 PRO 54 -9.688 -1.706 0.754 417 H GLN 55 HN GLN 55 -11.172 -0.529 -3.271 418 HA GLN 55 HA GLN 55 -10.183 0.367 -5.820 419 1HB GLN 55 HB2 GLN 55 -12.925 0.733 -4.608 420 2HB GLN 55 HB1 GLN 55 -12.484 1.063 -6.279 421 1HG GLN 55 HG2 GLN 55 -11.736 -1.614 -5.552 422 2HG GLN 55 HG1 GLN 55 -13.443 -1.330 -5.215 423 1HE2 GLN 55 HE21 GLN 55 -14.805 -0.675 -6.937 424 2HE2 GLN 55 HE22 GLN 55 -14.394 -1.039 -8.576 425 H GLU 56 HN GLU 56 -11.142 1.904 -2.805 426 HA GLU 56 HA GLU 56 -11.256 4.558 -3.718 427 1HB GLU 56 HB2 GLU 56 -11.346 3.201 -1.194 428 2HB GLU 56 HB1 GLU 56 -10.303 4.607 -1.062 429 1HG GLU 56 HG2 GLU 56 -12.408 5.386 -0.471 430 2HG GLU 56 HG1 GLU 56 -12.205 5.908 -2.143 431 H VAL 57 HN VAL 57 -8.549 2.516 -3.110 432 HA VAL 57 HA VAL 57 -6.702 4.727 -2.807 433 HB VAL 57 HB VAL 57 -6.338 2.565 -1.640 434 1HG1 VAL 57 HG11 VAL 57 -7.089 1.068 -3.391 435 2HG1 VAL 57 HG12 VAL 57 -5.456 0.659 -2.875 436 3HG1 VAL 57 HG13 VAL 57 -5.715 1.519 -4.394 437 1HG2 VAL 57 HG21 VAL 57 -3.909 2.585 -3.177 438 2HG2 VAL 57 HG22 VAL 57 -4.195 3.135 -1.532 439 3HG2 VAL 57 HG23 VAL 57 -4.475 4.227 -2.888 440 H PHE 58 HN PHE 58 -7.982 2.745 -5.316 441 HA PHE 58 HA PHE 58 -6.102 2.758 -7.290 442 1HB PHE 58 HB2 PHE 58 -9.082 3.151 -7.487 443 2HB PHE 58 HB1 PHE 58 -8.062 3.037 -8.910 444 HD1 PHE 58 HD1 PHE 58 -9.579 1.155 -9.492 445 HD2 PHE 58 HD2 PHE 58 -6.967 1.037 -6.136 446 HE1 PHE 58 HE1 PHE 58 -9.762 -1.293 -9.447 447 HE2 PHE 58 HE2 PHE 58 -7.153 -1.418 -6.078 448 HZ PHE 58 HZ PHE 58 -8.544 -2.575 -7.744 449 HA PRO 59 HA PRO 59 -7.571 7.191 -8.794 450 1HB PRO 59 HB2 PRO 59 -8.549 8.266 -6.204 451 2HB PRO 59 HB1 PRO 59 -9.182 8.508 -7.835 452 1HG PRO 59 HG2 PRO 59 -10.435 6.919 -6.095 453 2HG PRO 59 HG1 PRO 59 -10.357 6.517 -7.820 454 1HD PRO 59 HD2 PRO 59 -8.814 5.374 -5.533 455 2HD PRO 59 HD1 PRO 59 -9.458 4.576 -6.977 456 H LEU 60 HN LEU 60 -6.358 6.621 -5.528 457 HA LEU 60 HA LEU 60 -4.661 8.947 -5.585 458 1HB LEU 60 HB2 LEU 60 -5.430 8.377 -3.443 459 2HB LEU 60 HB1 LEU 60 -5.046 6.681 -3.655 460 HG LEU 60 HG LEU 60 -2.593 8.033 -3.854 461 1HD1 LEU 60 HD11 LEU 60 -3.276 10.010 -2.898 462 2HD1 LEU 60 HD12 LEU 60 -2.604 9.103 -1.549 463 3HD1 LEU 60 HD13 LEU 60 -4.353 9.209 -1.755 464 1HD2 LEU 60 HD21 LEU 60 -3.767 6.556 -1.506 465 2HD2 LEU 60 HD22 LEU 60 -2.057 6.836 -1.813 466 3HD2 LEU 60 HD23 LEU 60 -2.988 5.802 -2.896 467 H LEU 61 HN LEU 61 -4.055 5.420 -5.606 468 HA LEU 61 HA LEU 61 -1.276 5.675 -5.967 469 1HB LEU 61 HB2 LEU 61 -1.383 3.273 -6.716 470 2HB LEU 61 HB1 LEU 61 -2.028 3.623 -5.129 471 HG LEU 61 HG LEU 61 -4.321 3.699 -6.294 472 1HD1 LEU 61 HD11 LEU 61 -2.664 2.326 -8.384 473 2HD1 LEU 61 HD12 LEU 61 -3.663 3.766 -8.570 474 3HD1 LEU 61 HD13 LEU 61 -4.419 2.200 -8.279 475 1HD2 LEU 61 HD21 LEU 61 -3.907 1.968 -4.773 476 2HD2 LEU 61 HD22 LEU 61 -2.703 1.222 -5.816 477 3HD2 LEU 61 HD23 LEU 61 -4.412 1.155 -6.251 478 H GLU 62 HN GLU 62 -3.561 6.593 -8.165 479 HA GLU 62 HA GLU 62 -1.974 5.718 -10.470 480 1HB GLU 62 HB2 GLU 62 -3.912 6.424 -11.823 481 2HB GLU 62 HB1 GLU 62 -4.351 5.218 -10.621 482 1HG GLU 62 HG2 GLU 62 -5.697 6.631 -9.501 483 2HG GLU 62 HG1 GLU 62 -4.651 8.019 -9.777 484 H SER 63 HN SER 63 -2.416 8.370 -8.442 485 HA SER 63 HA SER 63 -1.433 10.221 -10.509 486 1HB SER 63 HB2 SER 63 -3.539 11.010 -9.679 487 2HB SER 63 HB1 SER 63 -3.046 10.750 -8.011 488 HG SER 63 HG SER 63 -2.873 12.969 -9.247 489 H ASP 64 HN ASP 64 0.587 10.867 -10.332 490 HA ASP 64 HA ASP 64 2.369 9.961 -8.410 491 1HB ASP 64 HB2 ASP 64 2.473 12.175 -10.429 492 2HB ASP 64 HB1 ASP 64 3.802 11.949 -9.296 493 H GLU 65 HN GLU 65 0.579 12.998 -8.540 494 HA GLU 65 HA GLU 65 1.926 14.176 -6.315 495 1HB GLU 65 HB2 GLU 65 -0.499 14.829 -7.923 496 2HB GLU 65 HB1 GLU 65 -0.301 15.608 -6.359 497 1HG GLU 65 HG2 GLU 65 1.251 16.995 -7.132 498 2HG GLU 65 HG1 GLU 65 2.124 15.697 -7.944 499 H LEU 66 HN LEU 66 -1.107 12.405 -6.718 500 HA LEU 66 HA LEU 66 -2.095 12.705 -4.114 501 1HB LEU 66 HB2 LEU 66 -2.595 10.961 -6.410 502 2HB LEU 66 HB1 LEU 66 -2.929 10.194 -4.873 503 HG LEU 66 HG LEU 66 -4.921 11.250 -5.875 504 1HD1 LEU 66 HD11 LEU 66 -4.175 12.752 -3.392 505 2HD1 LEU 66 HD12 LEU 66 -4.461 11.010 -3.376 506 3HD1 LEU 66 HD13 LEU 66 -5.746 12.109 -3.872 507 1HD2 LEU 66 HD21 LEU 66 -5.110 13.655 -5.993 508 2HD2 LEU 66 HD22 LEU 66 -3.741 13.124 -6.969 509 3HD2 LEU 66 HD23 LEU 66 -3.466 13.846 -5.383 510 H PHE 67 HN PHE 67 0.290 10.564 -5.484 511 HA PHE 67 HA PHE 67 0.460 8.875 -3.165 512 1HB PHE 67 HB2 PHE 67 1.129 8.350 -5.655 513 2HB PHE 67 HB1 PHE 67 2.671 9.054 -5.175 514 HD1 PHE 67 HD1 PHE 67 4.287 7.629 -4.321 515 HD2 PHE 67 HD2 PHE 67 0.178 6.589 -3.946 516 HE1 PHE 67 HE1 PHE 67 4.924 5.481 -3.302 517 HE2 PHE 67 HE2 PHE 67 0.821 4.453 -2.925 518 HZ PHE 67 HZ PHE 67 3.172 3.886 -2.609 519 H GLU 68 HN GLU 68 2.541 11.365 -4.616 520 HA GLU 68 HA GLU 68 4.639 11.416 -2.908 521 1HB GLU 68 HB2 GLU 68 3.193 13.531 -4.412 522 2HB GLU 68 HB1 GLU 68 4.379 14.049 -3.221 523 1HG GLU 68 HG2 GLU 68 6.142 13.041 -4.352 524 2HG GLU 68 HG1 GLU 68 5.069 12.002 -5.290 525 H GLN 69 HN GLN 69 1.545 13.097 -2.337 526 HA GLN 69 HA GLN 69 2.188 14.255 0.119 527 1HB GLN 69 HB2 GLN 69 -0.288 13.612 -1.350 528 2HB GLN 69 HB1 GLN 69 -0.478 13.778 0.390 529 1HG GLN 69 HG2 GLN 69 0.696 15.993 0.191 530 2HG GLN 69 HG1 GLN 69 0.548 15.820 -1.557 531 1HE2 GLN 69 HE21 GLN 69 -0.579 17.963 -0.763 532 2HE2 GLN 69 HE22 GLN 69 -2.294 17.836 -0.606 533 H HIS 70 HN HIS 70 0.222 11.334 -0.366 534 HA HIS 70 HA HIS 70 0.239 10.558 2.340 535 1HB HIS 70 HB2 HIS 70 -0.515 9.283 -0.231 536 2HB HIS 70 HB1 HIS 70 -0.188 8.193 1.113 537 HD2 HIS 70 HD2 HIS 70 -3.012 10.382 -0.212 538 HE1 HIS 70 HE1 HIS 70 -4.077 9.291 3.743 539 HE2 HIS 70 HE2 HIS 70 -4.843 10.387 1.606 540 H TYR 71 HN TYR 71 2.156 9.331 -0.405 541 HA TYR 71 HA TYR 71 3.771 7.610 1.141 542 1HB TYR 71 HB2 TYR 71 3.825 7.060 -1.096 543 2HB TYR 71 HB1 TYR 71 3.866 8.732 -1.620 544 HD1 TYR 71 HD1 TYR 71 5.915 9.803 -2.127 545 HD2 TYR 71 HD2 TYR 71 5.934 5.990 -0.247 546 HE1 TYR 71 HE1 TYR 71 8.327 9.607 -2.559 547 HE2 TYR 71 HE2 TYR 71 8.347 5.788 -0.665 548 HH TYR 71 HH TYR 71 10.298 8.289 -1.452 549 H LYS 72 HN LYS 72 3.680 10.991 0.993 550 HA LYS 72 HA LYS 72 6.394 11.677 1.245 551 1HB LYS 72 HB2 LYS 72 4.241 13.180 0.979 552 2HB LYS 72 HB1 LYS 72 4.289 13.201 2.731 553 1HG LYS 72 HG2 LYS 72 6.347 14.302 2.782 554 2HG LYS 72 HG1 LYS 72 6.689 13.926 1.093 555 1HD LYS 72 HD2 LYS 72 4.245 15.360 1.172 556 2HD LYS 72 HD1 LYS 72 5.402 16.223 2.188 557 1HE LYS 72 HE2 LYS 72 6.379 15.259 -0.433 558 2HE LYS 72 HE1 LYS 72 5.220 16.586 -0.459 559 1HZ LYS 72 HZ1 LYS 72 6.770 18.002 0.222 560 2HZ LYS 72 HZ2 LYS 72 7.918 16.791 -0.051 561 3HZ LYS 72 HZ3 LYS 72 7.260 16.997 1.493 562 H GLU 73 HN GLU 73 3.966 11.638 3.851 563 HA GLU 73 HA GLU 73 5.710 11.763 5.989 564 1HB GLU 73 HB2 GLU 73 3.068 10.298 5.846 565 2HB GLU 73 HB1 GLU 73 3.898 10.747 7.330 566 1HG GLU 73 HG2 GLU 73 3.031 12.753 5.271 567 2HG GLU 73 HG1 GLU 73 2.009 12.246 6.614 568 H ALA 74 HN ALA 74 4.585 8.940 4.203 569 HA ALA 74 HA ALA 74 5.846 7.031 5.887 570 1HB ALA 74 HB1 ALA 74 5.575 5.851 3.399 571 2HB ALA 74 HB2 ALA 74 4.255 7.014 3.474 572 3HB ALA 74 HB3 ALA 74 4.419 5.781 4.725 573 H SER 75 HN SER 75 6.883 8.937 3.150 574 HA SER 75 HA SER 75 9.115 7.426 2.385 575 1HB SER 75 HB2 SER 75 8.181 9.366 1.100 576 2HB SER 75 HB1 SER 75 8.874 10.448 2.308 577 HG SER 75 HG SER 75 10.298 8.636 0.651 578 H ALA 76 HN ALA 76 8.881 10.197 4.605 579 HA ALA 76 HA ALA 76 11.484 10.375 5.468 580 1HB ALA 76 HB1 ALA 76 8.988 11.359 6.328 581 2HB ALA 76 HB2 ALA 76 10.594 11.920 6.792 582 3HB ALA 76 HB3 ALA 76 9.783 10.680 7.748 583 H ALA 77 HN ALA 77 9.036 8.049 6.402 584 HA ALA 77 HA ALA 77 10.622 6.840 8.490 585 1HB ALA 77 HB1 ALA 77 8.050 6.911 8.285 586 2HB ALA 77 HB2 ALA 77 8.813 5.436 8.876 587 3HB ALA 77 HB3 ALA 77 8.256 5.532 7.206 588 H TYR 78 HN TYR 78 10.412 6.602 5.119 589 HA TYR 78 HA TYR 78 11.099 3.932 4.613 590 1HB TYR 78 HB2 TYR 78 10.374 5.785 2.977 591 2HB TYR 78 HB1 TYR 78 12.054 6.299 2.995 592 HD1 TYR 78 HD1 TYR 78 10.295 5.302 0.650 593 HD2 TYR 78 HD2 TYR 78 13.178 3.386 3.119 594 HE1 TYR 78 HE1 TYR 78 10.781 3.704 -1.166 595 HE2 TYR 78 HE2 TYR 78 13.673 1.794 1.326 596 HH TYR 78 HH TYR 78 12.769 2.246 -1.837 597 H GLU 79 HN GLU 79 13.108 6.833 4.936 598 HA GLU 79 HA GLU 79 15.596 5.522 4.722 599 1HB GLU 79 HB2 GLU 79 14.692 8.211 5.667 600 2HB GLU 79 HB1 GLU 79 16.352 7.716 5.957 601 1HG GLU 79 HG2 GLU 79 15.089 7.685 3.232 602 2HG GLU 79 HG1 GLU 79 15.936 9.084 3.889 603 H SER 80 HN SER 80 13.812 6.679 7.582 604 HA SER 80 HA SER 80 15.690 5.947 9.481 605 1HB SER 80 HB2 SER 80 13.935 7.364 10.193 606 2HB SER 80 HB1 SER 80 12.696 6.236 9.644 607 HG SER 80 HG SER 80 13.915 6.374 12.032 608 H PHE 81 HN PHE 81 12.883 4.077 8.325 609 HA PHE 81 HA PHE 81 13.428 1.810 9.921 610 1HB PHE 81 HB2 PHE 81 11.579 2.495 7.744 611 2HB PHE 81 HB1 PHE 81 12.026 0.795 7.798 612 HD1 PHE 81 HD1 PHE 81 11.308 -0.623 9.570 613 HD2 PHE 81 HD2 PHE 81 10.390 3.530 9.613 614 HE1 PHE 81 HE1 PHE 81 9.669 -1.008 11.367 615 HE2 PHE 81 HE2 PHE 81 8.749 3.155 11.410 616 HZ PHE 81 HZ PHE 81 8.386 0.882 12.288 617 H LYS 82 HN LYS 82 14.029 2.434 6.461 618 HA LYS 82 HA LYS 82 15.271 0.031 5.850 619 1HB LYS 82 HB2 LYS 82 15.363 2.768 4.695 620 2HB LYS 82 HB1 LYS 82 16.566 1.605 4.158 621 1HG LYS 82 HG2 LYS 82 13.593 1.150 4.083 622 2HG LYS 82 HG1 LYS 82 14.579 1.681 2.719 623 1HD LYS 82 HD2 LYS 82 15.226 -0.833 4.219 624 2HD LYS 82 HD1 LYS 82 14.039 -0.825 2.916 625 1HE LYS 82 HE2 LYS 82 15.920 -1.337 1.728 626 2HE LYS 82 HE1 LYS 82 15.971 0.421 1.627 627 1HZ LYS 82 HZ1 LYS 82 17.977 0.314 2.527 628 2HZ LYS 82 HZ2 LYS 82 17.842 -1.349 2.800 629 3HZ LYS 82 HZ3 LYS 82 17.284 -0.255 3.962 630 H LYS 83 HN LYS 83 16.645 2.999 7.173 631 HA LYS 83 HA LYS 83 19.337 2.045 7.114 632 1HB LYS 83 HB2 LYS 83 18.040 4.380 8.516 633 2HB LYS 83 HB1 LYS 83 19.767 4.053 8.571 634 1HG LYS 83 HG2 LYS 83 18.180 4.553 6.062 635 2HG LYS 83 HG1 LYS 83 19.174 5.748 6.898 636 1HD LYS 83 HD2 LYS 83 21.040 3.922 6.624 637 2HD LYS 83 HD1 LYS 83 19.998 3.358 5.315 638 1HE LYS 83 HE2 LYS 83 20.003 5.844 4.581 639 2HE LYS 83 HE1 LYS 83 21.434 5.969 5.603 640 1HZ LYS 83 HZ1 LYS 83 22.443 5.391 3.687 641 2HZ LYS 83 HZ2 LYS 83 21.084 4.606 3.056 642 3HZ LYS 83 HZ3 LYS 83 22.062 3.821 4.192 643 H GLU 84 HN GLU 84 16.771 2.125 9.533 644 HA GLU 84 HA GLU 84 18.324 1.446 11.773 645 1HB GLU 84 HB2 GLU 84 15.772 2.126 11.506 646 2HB GLU 84 HB1 GLU 84 15.547 0.384 11.533 647 1HG GLU 84 HG2 GLU 84 16.566 0.227 13.691 648 2HG GLU 84 HG1 GLU 84 17.021 1.929 13.650 649 H GLN 85 HN GLN 85 16.860 -0.512 9.250 650 HA GLN 85 HA GLN 85 17.630 -2.989 10.551 651 1HB GLN 85 HB2 GLN 85 15.994 -2.232 8.203 652 2HB GLN 85 HB1 GLN 85 16.829 -3.776 8.097 653 1HG GLN 85 HG2 GLN 85 15.812 -4.350 10.325 654 2HG GLN 85 HG1 GLN 85 14.815 -2.907 10.149 655 1HE2 GLN 85 HE21 GLN 85 12.873 -3.299 9.402 656 2HE2 GLN 85 HE22 GLN 85 12.428 -4.563 8.312 657 H GLU 86 HN GLU 86 19.913 -2.512 10.600 658 HA GLU 86 HA GLU 86 21.316 -2.489 8.052 659 1HB GLU 86 HB2 GLU 86 21.967 -1.847 10.851 660 2HB GLU 86 HB1 GLU 86 23.269 -2.619 9.958 661 1HG GLU 86 HG2 GLU 86 22.626 -0.801 8.153 662 2HG GLU 86 HG1 GLU 86 22.020 0.041 9.577 663 H GLN 87 HN GLN 87 19.807 -4.858 8.824 664 HA GLN 87 HA GLN 87 21.924 -6.816 9.332 665 1HB GLN 87 HB2 GLN 87 18.922 -6.930 9.495 666 2HB GLN 87 HB1 GLN 87 19.894 -8.396 9.475 667 1HG GLN 87 HG2 GLN 87 20.370 -8.196 11.624 668 2HG GLN 87 HG1 GLN 87 20.921 -6.535 11.409 669 1HE2 GLN 87 HE21 GLN 87 18.573 -8.527 12.739 670 2HE2 GLN 87 HE22 GLN 87 17.428 -7.312 13.186 671 H GLN 88 HN GLN 88 19.141 -6.344 7.149 672 HA GLN 88 HA GLN 88 20.129 -8.337 5.318 673 1HB GLN 88 HB2 GLN 88 17.645 -7.424 5.848 674 2HB GLN 88 HB1 GLN 88 18.020 -6.460 4.427 675 1HG GLN 88 HG2 GLN 88 17.161 -8.232 3.348 676 2HG GLN 88 HG1 GLN 88 18.794 -8.866 3.544 677 1HE2 GLN 88 HE21 GLN 88 19.193 -10.399 5.179 678 2HE2 GLN 88 HE22 GLN 88 17.914 -11.349 5.847 679 H THR 89 HN THR 89 21.889 -7.869 4.159 680 HA THR 89 HA THR 89 22.107 -5.197 2.961 681 HB THR 89 HB THR 89 24.520 -5.641 2.800 682 HG1 THR 89 HG1 THR 89 25.367 -7.523 3.687 683 1HG2 THR 89 HG21 THR 89 23.627 -4.665 4.903 684 2HG2 THR 89 HG22 THR 89 25.137 -5.555 5.092 685 3HG2 THR 89 HG23 THR 89 23.612 -6.289 5.588 686 H GLU 90 HN GLU 90 24.207 -6.210 1.125 687 HA GLU 90 HA GLU 90 22.427 -7.115 -0.965 688 1HB GLU 90 HB2 GLU 90 25.400 -6.620 -1.148 689 2HB GLU 90 HB1 GLU 90 24.250 -6.697 -2.474 690 1HG GLU 90 HG2 GLU 90 23.514 -4.686 -0.529 691 2HG GLU 90 HG1 GLU 90 25.133 -4.423 -1.175 692 H GLN 91 HN GLN 91 25.584 -8.224 0.276 693 HA GLN 91 HA GLN 91 25.215 -10.834 -0.897 694 1HB GLN 91 HB2 GLN 91 27.407 -9.302 0.097 695 2HB GLN 91 HB1 GLN 91 27.371 -10.826 0.970 696 1HG GLN 91 HG2 GLN 91 27.672 -12.084 -0.961 697 2HG GLN 91 HG1 GLN 91 27.178 -10.759 -2.014 698 1HE2 GLN 91 HE21 GLN 91 29.725 -11.932 0.091 699 2HE2 GLN 91 HE22 GLN 91 30.999 -11.009 -0.620 700 H ALA 92 HN ALA 92 25.263 -12.825 0.340 701 HA ALA 92 HA ALA 92 23.490 -12.711 2.591 702 1HB ALA 92 HB1 ALA 92 24.315 -15.305 2.505 703 2HB ALA 92 HB2 ALA 92 24.579 -14.791 0.839 704 3HB ALA 92 HB3 ALA 92 22.980 -14.639 1.565 Start of MODEL 24 1 1H GLY 1 HT1 GLY 1 -20.616 7.776 -34.543 2 2H GLY 1 HT2 GLY 1 -19.321 6.706 -34.738 3 3H GLY 1 HT3 GLY 1 -19.063 8.227 -34.045 4 1HA GLY 1 HA1 GLY 1 -20.170 5.803 -32.864 5 2HA GLY 1 HA2 GLY 1 -19.129 7.021 -32.145 6 HA PRO 2 HA PRO 2 -23.572 7.574 -30.690 7 1HB PRO 2 HB2 PRO 2 -23.086 7.294 -28.036 8 2HB PRO 2 HB1 PRO 2 -23.461 5.925 -29.090 9 1HG PRO 2 HG2 PRO 2 -20.800 6.884 -28.105 10 2HG PRO 2 HG1 PRO 2 -21.418 5.226 -28.224 11 1HD PRO 2 HD2 PRO 2 -19.729 6.289 -30.057 12 2HD PRO 2 HD1 PRO 2 -20.964 5.085 -30.480 13 H LEU 3 HN LEU 3 -24.328 9.231 -29.057 14 HA LEU 3 HA LEU 3 -22.744 11.615 -29.396 15 1HB LEU 3 HB2 LEU 3 -24.712 12.625 -28.043 16 2HB LEU 3 HB1 LEU 3 -24.971 12.105 -29.694 17 HG LEU 3 HG LEU 3 -25.547 10.044 -27.675 18 1HD1 LEU 3 HD11 LEU 3 -27.614 11.010 -26.917 19 2HD1 LEU 3 HD12 LEU 3 -27.338 12.458 -27.885 20 3HD1 LEU 3 HD13 LEU 3 -26.290 12.102 -26.511 21 1HD2 LEU 3 HD21 LEU 3 -27.663 10.814 -29.493 22 2HD2 LEU 3 HD22 LEU 3 -26.826 9.271 -29.320 23 3HD2 LEU 3 HD23 LEU 3 -26.140 10.537 -30.338 24 H GLY 4 HN GLY 4 -24.369 10.386 -26.456 25 1HA GLY 4 HA2 GLY 4 -22.053 11.360 -24.922 26 2HA GLY 4 HA1 GLY 4 -23.683 11.193 -24.286 27 H SER 5 HN SER 5 -21.499 10.122 -22.959 28 HA SER 5 HA SER 5 -21.130 7.363 -23.610 29 1HB SER 5 HB2 SER 5 -20.329 7.475 -21.040 30 2HB SER 5 HB1 SER 5 -19.327 8.032 -22.381 31 HG SER 5 HG SER 5 -21.108 9.706 -20.945 32 HA PRO 6 HA PRO 6 -24.640 5.480 -21.736 33 1HB PRO 6 HB2 PRO 6 -23.506 3.260 -20.590 34 2HB PRO 6 HB1 PRO 6 -23.866 3.409 -22.313 35 1HG PRO 6 HG2 PRO 6 -21.271 3.804 -20.876 36 2HG PRO 6 HG1 PRO 6 -21.583 2.993 -22.422 37 1HD PRO 6 HD2 PRO 6 -20.591 5.489 -22.311 38 2HD PRO 6 HD1 PRO 6 -21.722 4.990 -23.586 39 H ARG 7 HN ARG 7 -25.216 6.926 -20.123 40 HA ARG 7 HA ARG 7 -23.851 6.867 -17.564 41 1HB ARG 7 HB2 ARG 7 -24.807 8.957 -18.704 42 2HB ARG 7 HB1 ARG 7 -26.385 8.368 -18.197 43 1HG ARG 7 HG2 ARG 7 -26.101 9.225 -16.179 44 2HG ARG 7 HG1 ARG 7 -24.603 8.317 -15.965 45 1HD ARG 7 HD2 ARG 7 -24.730 10.881 -17.527 46 2HD ARG 7 HD1 ARG 7 -24.453 10.850 -15.786 47 HE ARG 7 HE ARG 7 -22.657 9.146 -17.222 48 1HH1 ARG 7 HH11 ARG 7 -23.245 12.442 -16.244 49 2HH1 ARG 7 HH12 ARG 7 -21.572 12.888 -16.292 50 1HH2 ARG 7 HH21 ARG 7 -20.457 9.729 -17.293 51 2HH2 ARG 7 HH22 ARG 7 -19.988 11.347 -16.890 52 H ASN 8 HN ASN 8 -24.344 5.450 -16.038 53 HA ASN 8 HA ASN 8 -26.952 4.118 -16.112 54 1HB ASN 8 HB2 ASN 8 -24.433 3.083 -15.809 55 2HB ASN 8 HB1 ASN 8 -24.980 3.184 -14.138 56 1HD2 ASN 8 HD21 ASN 8 -24.782 1.184 -16.673 57 2HD2 ASN 8 HD22 ASN 8 -26.127 0.147 -16.359 58 H ALA 9 HN ALA 9 -27.871 3.548 -13.909 59 HA ALA 9 HA ALA 9 -28.108 6.009 -12.396 60 1HB ALA 9 HB1 ALA 9 -30.205 5.327 -12.190 61 2HB ALA 9 HB2 ALA 9 -29.664 3.952 -11.228 62 3HB ALA 9 HB3 ALA 9 -29.804 3.803 -12.980 63 H ASN 10 HN ASN 10 -27.513 2.584 -11.571 64 HA ASN 10 HA ASN 10 -26.315 3.452 -9.047 65 1HB ASN 10 HB2 ASN 10 -27.310 0.791 -10.048 66 2HB ASN 10 HB1 ASN 10 -26.334 0.927 -8.589 67 1HD2 ASN 10 HD21 ASN 10 -29.039 -0.009 -8.827 68 2HD2 ASN 10 HD22 ASN 10 -30.016 1.033 -7.856 69 H ASP 11 HN ASP 11 -24.255 2.811 -8.391 70 HA ASP 11 HA ASP 11 -22.411 2.310 -10.596 71 1HB ASP 11 HB2 ASP 11 -22.301 3.848 -8.193 72 2HB ASP 11 HB1 ASP 11 -21.027 2.633 -8.124 73 H ASN 12 HN ASN 12 -21.998 0.252 -11.040 74 HA ASN 12 HA ASN 12 -22.345 -1.838 -9.112 75 1HB ASN 12 HB2 ASN 12 -21.442 -1.740 -11.976 76 2HB ASN 12 HB1 ASN 12 -21.290 -3.224 -11.040 77 1HD2 ASN 12 HD21 ASN 12 -23.767 -0.694 -11.389 78 2HD2 ASN 12 HD22 ASN 12 -25.072 -1.783 -11.694 79 H ASN 13 HN ASN 13 -20.882 -2.724 -7.801 80 HA ASN 13 HA ASN 13 -18.152 -1.714 -7.879 81 1HB ASN 13 HB2 ASN 13 -17.936 -2.842 -5.673 82 2HB ASN 13 HB1 ASN 13 -19.252 -1.675 -5.723 83 1HD2 ASN 13 HD21 ASN 13 -18.562 -4.351 -4.299 84 2HD2 ASN 13 HD22 ASN 13 -20.063 -5.205 -4.358 85 H GLN 14 HN GLN 14 -16.337 -2.961 -8.166 86 HA GLN 14 HA GLN 14 -16.773 -5.514 -9.486 87 1HB GLN 14 HB2 GLN 14 -14.848 -3.414 -9.685 88 2HB GLN 14 HB1 GLN 14 -13.998 -4.903 -9.298 89 1HG GLN 14 HG2 GLN 14 -14.058 -5.358 -11.466 90 2HG GLN 14 HG1 GLN 14 -15.783 -5.665 -11.260 91 1HE2 GLN 14 HE21 GLN 14 -14.063 -4.488 -13.460 92 2HE2 GLN 14 HE22 GLN 14 -14.873 -3.022 -13.884 93 H PHE 15 HN PHE 15 -17.483 -6.507 -7.438 94 HA PHE 15 HA PHE 15 -15.387 -7.062 -5.495 95 1HB PHE 15 HB2 PHE 15 -17.944 -6.605 -5.046 96 2HB PHE 15 HB1 PHE 15 -18.101 -8.323 -5.390 97 HD1 PHE 15 HD1 PHE 15 -17.414 -5.895 -2.912 98 HD2 PHE 15 HD2 PHE 15 -16.570 -9.913 -4.036 99 HE1 PHE 15 HE1 PHE 15 -16.780 -6.407 -0.591 100 HE2 PHE 15 HE2 PHE 15 -15.934 -10.431 -1.716 101 HZ PHE 15 HZ PHE 15 -16.040 -8.678 0.010 102 H TYR 16 HN TYR 16 -16.714 -8.465 -8.302 103 HA TYR 16 HA TYR 16 -16.166 -11.191 -7.629 104 1HB TYR 16 HB2 TYR 16 -16.435 -11.476 -10.201 105 2HB TYR 16 HB1 TYR 16 -17.838 -11.077 -9.219 106 HD1 TYR 16 HD1 TYR 16 -18.595 -8.668 -9.133 107 HD2 TYR 16 HD2 TYR 16 -15.760 -10.081 -11.968 108 HE1 TYR 16 HE1 TYR 16 -19.033 -6.705 -10.536 109 HE2 TYR 16 HE2 TYR 16 -16.189 -8.118 -13.382 110 HH TYR 16 HH TYR 16 -17.184 -5.541 -12.705 111 H GLN 17 HN GLN 17 -14.685 -8.978 -10.008 112 HA GLN 17 HA GLN 17 -12.492 -10.645 -10.570 113 1HB GLN 17 HB2 GLN 17 -13.291 -7.887 -11.162 114 2HB GLN 17 HB1 GLN 17 -11.549 -8.105 -11.058 115 1HG GLN 17 HG2 GLN 17 -12.943 -10.146 -12.632 116 2HG GLN 17 HG1 GLN 17 -13.040 -8.512 -13.286 117 1HE2 GLN 17 HE21 GLN 17 -10.991 -7.358 -13.558 118 2HE2 GLN 17 HE22 GLN 17 -9.585 -8.262 -13.994 119 H GLN 18 HN GLN 18 -11.383 -11.399 -8.827 120 HA GLN 18 HA GLN 18 -10.681 -9.833 -6.575 121 1HB GLN 18 HB2 GLN 18 -10.838 -12.368 -6.708 122 2HB GLN 18 HB1 GLN 18 -9.260 -12.331 -7.483 123 1HG GLN 18 HG2 GLN 18 -9.106 -10.763 -5.130 124 2HG GLN 18 HG1 GLN 18 -9.889 -12.287 -4.718 125 1HE2 GLN 18 HE21 GLN 18 -7.217 -11.232 -6.815 126 2HE2 GLN 18 HE22 GLN 18 -6.093 -12.424 -6.269 127 H LYS 19 HN LYS 19 -9.183 -10.360 -9.665 128 HA LYS 19 HA LYS 19 -6.600 -9.413 -8.864 129 1HB LYS 19 HB2 LYS 19 -7.248 -10.961 -10.865 130 2HB LYS 19 HB1 LYS 19 -7.531 -9.447 -11.711 131 1HG LYS 19 HG2 LYS 19 -5.366 -9.198 -12.097 132 2HG LYS 19 HG1 LYS 19 -4.997 -9.345 -10.379 133 1HD LYS 19 HD2 LYS 19 -5.591 -11.794 -11.989 134 2HD LYS 19 HD1 LYS 19 -3.994 -11.049 -12.086 135 1HE LYS 19 HE2 LYS 19 -4.576 -11.158 -9.361 136 2HE LYS 19 HE1 LYS 19 -5.141 -12.697 -10.007 137 1HZ LYS 19 HZ1 LYS 19 -2.497 -11.864 -9.501 138 2HZ LYS 19 HZ2 LYS 19 -2.658 -12.197 -11.151 139 3HZ LYS 19 HZ3 LYS 19 -3.050 -13.380 -10.008 140 H GLN 20 HN GLN 20 -9.549 -7.931 -9.803 141 HA GLN 20 HA GLN 20 -8.611 -5.561 -10.972 142 1HB GLN 20 HB2 GLN 20 -11.128 -6.461 -9.719 143 2HB GLN 20 HB1 GLN 20 -10.869 -4.723 -9.717 144 1HG GLN 20 HG2 GLN 20 -10.290 -5.958 -12.286 145 2HG GLN 20 HG1 GLN 20 -11.955 -6.195 -11.759 146 1HE2 GLN 20 HE21 GLN 20 -11.655 -4.776 -13.961 147 2HE2 GLN 20 HE22 GLN 20 -11.905 -3.090 -13.681 148 H ARG 21 HN ARG 21 -9.774 -5.973 -7.625 149 HA ARG 21 HA ARG 21 -8.953 -3.523 -6.640 150 1HB ARG 21 HB2 ARG 21 -9.256 -6.202 -5.323 151 2HB ARG 21 HB1 ARG 21 -8.828 -4.759 -4.411 152 1HG ARG 21 HG2 ARG 21 -10.883 -3.695 -4.991 153 2HG ARG 21 HG1 ARG 21 -11.287 -4.977 -6.130 154 1HD ARG 21 HD2 ARG 21 -10.763 -5.861 -3.375 155 2HD ARG 21 HD1 ARG 21 -12.193 -4.852 -3.583 156 HE ARG 21 HE ARG 21 -13.160 -6.510 -4.905 157 1HH1 ARG 21 HH11 ARG 21 -9.937 -7.419 -3.906 158 2HH1 ARG 21 HH12 ARG 21 -10.140 -9.081 -4.347 159 1HH2 ARG 21 HH21 ARG 21 -13.421 -8.688 -5.483 160 2HH2 ARG 21 HH22 ARG 21 -12.119 -9.803 -5.236 161 H GLN 22 HN GLN 22 -7.186 -6.609 -6.459 162 HA GLN 22 HA GLN 22 -4.856 -5.480 -5.322 163 1HB GLN 22 HB2 GLN 22 -5.632 -7.945 -5.373 164 2HB GLN 22 HB1 GLN 22 -4.855 -8.002 -6.949 165 1HG GLN 22 HG2 GLN 22 -3.009 -6.812 -5.199 166 2HG GLN 22 HG1 GLN 22 -3.692 -8.196 -4.347 167 1HE2 GLN 22 HE21 GLN 22 -1.627 -9.191 -4.473 168 2HE2 GLN 22 HE22 GLN 22 -1.100 -9.949 -5.933 169 H ALA 23 HN ALA 23 -6.085 -5.255 -8.461 170 HA ALA 23 HA ALA 23 -3.644 -5.320 -9.933 171 1HB ALA 23 HB1 ALA 23 -6.239 -3.943 -10.619 172 2HB ALA 23 HB2 ALA 23 -5.780 -5.584 -11.068 173 3HB ALA 23 HB3 ALA 23 -4.895 -4.212 -11.725 174 H LEU 24 HN LEU 24 -5.694 -2.465 -9.420 175 HA LEU 24 HA LEU 24 -3.543 -0.663 -9.801 176 1HB LEU 24 HB2 LEU 24 -6.391 -0.477 -9.060 177 2HB LEU 24 HB1 LEU 24 -5.389 0.850 -8.517 178 HG LEU 24 HG LEU 24 -6.440 1.369 -10.649 179 1HD1 LEU 24 HD11 LEU 24 -3.482 0.885 -10.980 180 2HD1 LEU 24 HD12 LEU 24 -4.209 2.278 -10.181 181 3HD1 LEU 24 HD13 LEU 24 -4.470 2.016 -11.904 182 1HD2 LEU 24 HD21 LEU 24 -6.000 -1.311 -11.212 183 2HD2 LEU 24 HD22 LEU 24 -4.917 -0.449 -12.305 184 3HD2 LEU 24 HD23 LEU 24 -6.646 -0.091 -12.311 185 H GLY 25 HN GLY 25 -4.946 -2.208 -6.991 186 1HA GLY 25 HA2 GLY 25 -3.860 -0.575 -4.985 187 2HA GLY 25 HA1 GLY 25 -4.260 -2.277 -4.799 188 H GLU 26 HN GLU 26 -2.460 -3.294 -6.767 189 HA GLU 26 HA GLU 26 -0.133 -3.576 -5.226 190 1HB GLU 26 HB2 GLU 26 -1.129 -4.885 -7.385 191 2HB GLU 26 HB1 GLU 26 0.164 -3.967 -8.140 192 1HG GLU 26 HG2 GLU 26 1.608 -4.901 -6.201 193 2HG GLU 26 HG1 GLU 26 0.321 -6.098 -6.058 194 H GLN 27 HN GLN 27 -1.037 -1.349 -7.785 195 HA GLN 27 HA GLN 27 1.448 -0.275 -8.425 196 1HB GLN 27 HB2 GLN 27 -1.289 0.434 -8.834 197 2HB GLN 27 HB1 GLN 27 -0.424 1.870 -8.304 198 1HG GLN 27 HG2 GLN 27 1.057 0.412 -10.312 199 2HG GLN 27 HG1 GLN 27 -0.556 0.851 -10.873 200 1HE2 GLN 27 HE21 GLN 27 -0.879 2.848 -11.578 201 2HE2 GLN 27 HE22 GLN 27 0.217 4.169 -11.392 202 H LEU 28 HN LEU 28 -0.634 0.265 -5.654 203 HA LEU 28 HA LEU 28 0.574 2.526 -4.546 204 1HB LEU 28 HB2 LEU 28 -1.511 1.127 -3.792 205 2HB LEU 28 HB1 LEU 28 -0.348 0.230 -2.837 206 HG LEU 28 HG LEU 28 0.303 2.386 -1.731 207 1HD1 LEU 28 HD11 LEU 28 -2.234 3.570 -2.742 208 2HD1 LEU 28 HD12 LEU 28 -0.777 3.676 -3.733 209 3HD1 LEU 28 HD13 LEU 28 -0.788 4.357 -2.111 210 1HD2 LEU 28 HD21 LEU 28 -1.039 1.349 -0.252 211 2HD2 LEU 28 HD22 LEU 28 -2.261 0.978 -1.466 212 3HD2 LEU 28 HD23 LEU 28 -2.217 2.577 -0.721 213 H TYR 29 HN TYR 29 1.329 -0.900 -4.236 214 HA TYR 29 HA TYR 29 3.602 -0.505 -2.545 215 1HB TYR 29 HB2 TYR 29 2.391 -2.593 -2.446 216 2HB TYR 29 HB1 TYR 29 2.659 -2.881 -4.161 217 HD1 TYR 29 HD1 TYR 29 4.264 -4.432 -4.686 218 HD2 TYR 29 HD2 TYR 29 4.711 -2.179 -1.108 219 HE1 TYR 29 HE1 TYR 29 6.315 -5.679 -4.165 220 HE2 TYR 29 HE2 TYR 29 6.765 -3.419 -0.576 221 HH TYR 29 HH TYR 29 8.561 -4.717 -2.065 222 H LYS 30 HN LYS 30 3.207 -1.355 -5.989 223 HA LYS 30 HA LYS 30 5.895 -1.508 -6.685 224 1HB LYS 30 HB2 LYS 30 3.674 -0.447 -8.440 225 2HB LYS 30 HB1 LYS 30 5.196 -1.140 -8.978 226 1HG LYS 30 HG2 LYS 30 4.519 -3.274 -8.609 227 2HG LYS 30 HG1 LYS 30 3.462 -2.826 -7.269 228 1HD LYS 30 HD2 LYS 30 1.686 -2.616 -8.615 229 2HD LYS 30 HD1 LYS 30 2.598 -1.676 -9.797 230 1HE LYS 30 HE2 LYS 30 3.347 -4.491 -9.753 231 2HE LYS 30 HE1 LYS 30 1.646 -4.236 -10.142 232 1HZ LYS 30 HZ1 LYS 30 2.265 -2.791 -11.933 233 2HZ LYS 30 HZ2 LYS 30 3.104 -4.250 -12.108 234 3HZ LYS 30 HZ3 LYS 30 3.903 -2.882 -11.516 235 H LYS 31 HN LYS 31 3.799 1.302 -6.399 236 HA LYS 31 HA LYS 31 5.484 3.189 -7.603 237 1HB LYS 31 HB2 LYS 31 3.022 3.409 -6.849 238 2HB LYS 31 HB1 LYS 31 3.695 3.857 -5.289 239 1HG LYS 31 HG2 LYS 31 3.334 5.893 -6.314 240 2HG LYS 31 HG1 LYS 31 5.047 5.596 -6.610 241 1HD LYS 31 HD2 LYS 31 3.236 4.531 -8.662 242 2HD LYS 31 HD1 LYS 31 3.246 6.290 -8.523 243 1HE LYS 31 HE2 LYS 31 5.502 6.445 -9.062 244 2HE LYS 31 HE1 LYS 31 5.818 4.764 -8.643 245 1HZ LYS 31 HZ1 LYS 31 3.983 5.333 -10.857 246 2HZ LYS 31 HZ2 LYS 31 5.027 4.021 -10.634 247 3HZ LYS 31 HZ3 LYS 31 5.644 5.517 -11.123 248 H VAL 32 HN VAL 32 5.446 1.815 -4.399 249 HA VAL 32 HA VAL 32 7.354 3.715 -3.323 250 HB VAL 32 HB VAL 32 6.570 1.053 -2.141 251 1HG1 VAL 32 HG11 VAL 32 7.884 3.532 -1.095 252 2HG1 VAL 32 HG12 VAL 32 8.427 1.857 -0.991 253 3HG1 VAL 32 HG13 VAL 32 7.061 2.403 -0.019 254 1HG2 VAL 32 HG21 VAL 32 4.534 1.819 -1.706 255 2HG2 VAL 32 HG22 VAL 32 4.891 3.276 -2.631 256 3HG2 VAL 32 HG23 VAL 32 5.215 3.231 -0.899 257 H SER 33 HN SER 33 7.422 0.289 -4.318 258 HA SER 33 HA SER 33 10.226 0.025 -3.833 259 1HB SER 33 HB2 SER 33 9.926 -2.159 -5.066 260 2HB SER 33 HB1 SER 33 8.882 -1.949 -3.661 261 HG SER 33 HG SER 33 7.665 -2.712 -5.385 262 H ALA 34 HN ALA 34 8.833 1.907 -6.025 263 HA ALA 34 HA ALA 34 9.839 1.188 -8.514 264 1HB ALA 34 HB1 ALA 34 9.408 3.408 -9.197 265 2HB ALA 34 HB2 ALA 34 9.588 4.028 -7.555 266 3HB ALA 34 HB3 ALA 34 8.195 3.031 -7.974 267 H LYS 35 HN LYS 35 11.532 2.210 -5.716 268 HA LYS 35 HA LYS 35 13.880 2.965 -7.313 269 1HB LYS 35 HB2 LYS 35 13.733 3.243 -4.332 270 2HB LYS 35 HB1 LYS 35 14.693 4.161 -5.484 271 1HG LYS 35 HG2 LYS 35 12.126 4.736 -6.254 272 2HG LYS 35 HG1 LYS 35 11.993 4.627 -4.499 273 1HD LYS 35 HD2 LYS 35 14.061 6.287 -5.934 274 2HD LYS 35 HD1 LYS 35 12.515 6.916 -5.362 275 1HE LYS 35 HE2 LYS 35 13.640 7.395 -3.482 276 2HE LYS 35 HE1 LYS 35 13.464 5.676 -3.128 277 1HZ LYS 35 HZ1 LYS 35 15.823 7.169 -3.660 278 2HZ LYS 35 HZ2 LYS 35 15.688 5.872 -4.737 279 3HZ LYS 35 HZ3 LYS 35 15.667 5.591 -3.069 280 H THR 36 HN THR 36 12.625 0.459 -5.317 281 HA THR 36 HA THR 36 14.894 -1.200 -5.828 282 HB THR 36 HB THR 36 15.822 0.053 -3.958 283 HG1 THR 36 HG1 THR 36 15.010 -2.495 -3.029 284 1HG2 THR 36 HG21 THR 36 13.513 -0.926 -2.300 285 2HG2 THR 36 HG22 THR 36 13.699 0.726 -2.888 286 3HG2 THR 36 HG23 THR 36 14.877 0.052 -1.760 287 H SER 37 HN SER 37 14.588 -3.402 -5.050 288 HA SER 37 HA SER 37 11.748 -4.075 -4.923 289 1HB SER 37 HB2 SER 37 13.697 -5.153 -6.431 290 2HB SER 37 HB1 SER 37 13.804 -6.218 -5.029 291 HG SER 37 HG SER 37 12.051 -7.151 -5.685 292 H ASN 38 HN ASN 38 12.828 -2.938 -2.625 293 HA ASN 38 HA ASN 38 13.453 -4.994 -0.701 294 1HB ASN 38 HB2 ASN 38 13.903 -2.287 -0.827 295 2HB ASN 38 HB1 ASN 38 12.589 -2.397 0.327 296 1HD2 ASN 38 HD21 ASN 38 15.076 -1.462 1.021 297 2HD2 ASN 38 HD22 ASN 38 15.818 -2.578 2.113 298 H GLU 39 HN GLU 39 11.803 -6.400 -0.347 299 HA GLU 39 HA GLU 39 9.077 -5.750 -0.437 300 1HB GLU 39 HB2 GLU 39 10.642 -8.077 -0.024 301 2HB GLU 39 HB1 GLU 39 9.472 -7.991 1.287 302 1HG GLU 39 HG2 GLU 39 8.221 -9.114 -0.221 303 2HG GLU 39 HG1 GLU 39 7.824 -7.471 -0.718 304 H GLU 40 HN GLU 40 11.395 -5.484 2.132 305 HA GLU 40 HA GLU 40 9.367 -5.214 4.176 306 1HB GLU 40 HB2 GLU 40 12.206 -5.655 4.109 307 2HB GLU 40 HB1 GLU 40 11.843 -4.298 5.168 308 1HG GLU 40 HG2 GLU 40 10.372 -5.640 6.491 309 2HG GLU 40 HG1 GLU 40 10.505 -6.984 5.357 310 H ALA 41 HN ALA 41 11.174 -3.158 2.065 311 HA ALA 41 HA ALA 41 10.849 -0.734 3.552 312 1HB ALA 41 HB1 ALA 41 12.633 -0.624 2.101 313 2HB ALA 41 HB2 ALA 41 11.377 0.267 1.240 314 3HB ALA 41 HB3 ALA 41 11.731 -1.389 0.793 315 H ALA 42 HN ALA 42 9.677 -1.363 0.299 316 HA ALA 42 HA ALA 42 7.659 0.528 0.346 317 1HB ALA 42 HB1 ALA 42 8.343 -0.200 -1.761 318 2HB ALA 42 HB2 ALA 42 6.713 -0.858 -1.589 319 3HB ALA 42 HB3 ALA 42 8.115 -1.900 -1.349 320 H GLY 43 HN GLY 43 7.692 -2.788 1.447 321 1HA GLY 43 HA2 GLY 43 4.897 -3.149 1.673 322 2HA GLY 43 HA1 GLY 43 6.126 -4.017 2.587 323 H LYS 44 HN LYS 44 7.248 -1.434 3.565 324 HA LYS 44 HA LYS 44 5.668 -1.246 5.942 325 1HB LYS 44 HB2 LYS 44 8.214 -0.940 5.707 326 2HB LYS 44 HB1 LYS 44 7.837 0.686 5.153 327 1HG LYS 44 HG2 LYS 44 8.305 0.871 7.453 328 2HG LYS 44 HG1 LYS 44 6.551 0.989 7.307 329 1HD LYS 44 HD2 LYS 44 7.753 -1.696 7.753 330 2HD LYS 44 HD1 LYS 44 7.685 -0.573 9.113 331 1HE LYS 44 HE2 LYS 44 5.540 -1.056 9.419 332 2HE LYS 44 HE1 LYS 44 5.173 -0.519 7.781 333 1HZ LYS 44 HZ1 LYS 44 4.913 -2.604 7.109 334 2HZ LYS 44 HZ2 LYS 44 4.945 -3.067 8.735 335 3HZ LYS 44 HZ3 LYS 44 6.364 -3.115 7.817 336 H ILE 45 HN ILE 45 6.543 1.143 3.447 337 HA ILE 45 HA ILE 45 4.810 3.173 4.295 338 HB ILE 45 HB ILE 45 5.745 2.572 1.485 339 1HG1 ILE 45 HG12 ILE 45 6.899 4.560 3.452 340 2HG1 ILE 45 HG11 ILE 45 7.565 2.947 3.186 341 1HG2 ILE 45 HG21 ILE 45 3.946 4.568 2.505 342 2HG2 ILE 45 HG22 ILE 45 4.398 4.208 0.840 343 3HG2 ILE 45 HG23 ILE 45 5.374 5.319 1.798 344 1HD1 ILE 45 HD11 ILE 45 8.490 3.516 1.243 345 2HD1 ILE 45 HD12 ILE 45 8.357 5.157 1.880 346 3HD1 ILE 45 HD13 ILE 45 7.138 4.541 0.768 347 H THR 46 HN THR 46 4.349 0.476 2.075 348 HA THR 46 HA THR 46 1.888 1.164 1.000 349 HB THR 46 HB THR 46 2.968 -1.583 1.659 350 HG1 THR 46 HG1 THR 46 3.052 -0.017 -0.704 351 1HG2 THR 46 HG21 THR 46 0.425 -1.235 1.043 352 2HG2 THR 46 HG22 THR 46 1.368 -2.577 0.402 353 3HG2 THR 46 HG23 THR 46 1.090 -1.143 -0.585 354 H GLY 47 HN GLY 47 2.641 -0.466 4.057 355 1HA GLY 47 HA2 GLY 47 0.000 -1.122 4.769 356 2HA GLY 47 HA1 GLY 47 1.334 -0.907 5.893 357 H MET 48 HN MET 48 1.796 1.870 4.993 358 HA MET 48 HA MET 48 -0.073 3.133 6.771 359 1HB MET 48 HB2 MET 48 2.256 4.099 5.137 360 2HB MET 48 HB1 MET 48 1.179 5.242 5.930 361 1HG MET 48 HG2 MET 48 1.649 4.081 8.081 362 2HG MET 48 HG1 MET 48 2.856 3.115 7.235 363 1HE MET 48 HE1 MET 48 5.717 4.455 7.073 364 2HE MET 48 HE2 MET 48 4.732 3.365 8.050 365 3HE MET 48 HE3 MET 48 5.486 4.777 8.791 366 H ILE 49 HN ILE 49 0.623 3.302 3.281 367 HA ILE 49 HA ILE 49 -1.612 5.038 2.774 368 HB ILE 49 HB ILE 49 -0.168 3.446 0.667 369 1HG1 ILE 49 HG12 ILE 49 0.766 6.185 1.431 370 2HG1 ILE 49 HG11 ILE 49 1.336 4.808 2.366 371 1HG2 ILE 49 HG21 ILE 49 -1.500 6.149 0.662 372 2HG2 ILE 49 HG22 ILE 49 -2.136 4.665 -0.047 373 3HG2 ILE 49 HG23 ILE 49 -0.684 5.410 -0.714 374 1HD1 ILE 49 HD11 ILE 49 2.316 3.817 0.426 375 2HD1 ILE 49 HD12 ILE 49 2.852 5.493 0.532 376 3HD1 ILE 49 HD13 ILE 49 1.594 5.042 -0.618 377 H LEU 50 HN LEU 50 -1.540 1.952 3.702 378 HA LEU 50 HA LEU 50 -3.415 0.805 1.826 379 1HB LEU 50 HB2 LEU 50 -1.604 -0.248 3.631 380 2HB LEU 50 HB1 LEU 50 -3.149 -0.560 4.392 381 HG LEU 50 HG LEU 50 -2.381 -2.453 3.028 382 1HD1 LEU 50 HD11 LEU 50 -4.718 -1.393 1.535 383 2HD1 LEU 50 HD12 LEU 50 -4.866 -1.612 3.279 384 3HD1 LEU 50 HD13 LEU 50 -4.455 -2.983 2.250 385 1HD2 LEU 50 HD21 LEU 50 -1.128 -1.409 1.319 386 2HD2 LEU 50 HD22 LEU 50 -2.500 -0.437 0.797 387 3HD2 LEU 50 HD23 LEU 50 -2.499 -2.180 0.529 388 H ASP 51 HN ASP 51 -3.917 3.224 3.733 389 HA ASP 51 HA ASP 51 -6.160 2.296 5.290 390 1HB ASP 51 HB2 ASP 51 -4.470 4.237 5.818 391 2HB ASP 51 HB1 ASP 51 -5.565 5.193 4.823 392 H LEU 52 HN LEU 52 -5.599 3.539 2.120 393 HA LEU 52 HA LEU 52 -8.297 4.516 1.772 394 1HB LEU 52 HB2 LEU 52 -5.882 4.253 0.026 395 2HB LEU 52 HB1 LEU 52 -7.452 4.541 -0.698 396 HG LEU 52 HG LEU 52 -7.677 6.615 0.586 397 1HD1 LEU 52 HD11 LEU 52 -6.310 5.900 2.528 398 2HD1 LEU 52 HD12 LEU 52 -5.873 7.492 1.910 399 3HD1 LEU 52 HD13 LEU 52 -4.865 6.094 1.535 400 1HD2 LEU 52 HD21 LEU 52 -5.704 7.819 -0.484 401 2HD2 LEU 52 HD22 LEU 52 -6.783 6.923 -1.555 402 3HD2 LEU 52 HD23 LEU 52 -5.226 6.234 -1.094 403 HA PRO 53 HA PRO 53 -10.272 0.630 0.906 404 1HB PRO 53 HB2 PRO 53 -11.635 2.248 -1.201 405 2HB PRO 53 HB1 PRO 53 -12.330 1.165 0.010 406 1HG PRO 53 HG2 PRO 53 -12.437 3.821 0.306 407 2HG PRO 53 HG1 PRO 53 -12.204 2.742 1.693 408 1HD PRO 53 HD2 PRO 53 -10.261 4.529 0.339 409 2HD PRO 53 HD1 PRO 53 -10.310 3.979 2.024 410 HA PRO 54 HA PRO 54 -8.275 -1.378 -2.465 411 1HB PRO 54 HB2 PRO 54 -10.533 -2.431 -3.784 412 2HB PRO 54 HB1 PRO 54 -9.564 -3.236 -2.550 413 1HG PRO 54 HG2 PRO 54 -12.147 -1.787 -2.291 414 2HG PRO 54 HG1 PRO 54 -11.543 -3.185 -1.384 415 1HD PRO 54 HD2 PRO 54 -11.609 -0.739 -0.297 416 2HD PRO 54 HD1 PRO 54 -10.277 -1.865 0.047 417 H GLN 55 HN GLN 55 -11.391 -0.235 -3.745 418 HA GLN 55 HA GLN 55 -10.186 0.555 -6.229 419 1HB GLN 55 HB2 GLN 55 -12.402 1.232 -6.907 420 2HB GLN 55 HB1 GLN 55 -12.484 -0.335 -6.113 421 1HG GLN 55 HG2 GLN 55 -14.294 0.777 -5.224 422 2HG GLN 55 HG1 GLN 55 -13.054 1.023 -3.995 423 1HE2 GLN 55 HE21 GLN 55 -13.577 2.929 -3.150 424 2HE2 GLN 55 HE22 GLN 55 -13.736 4.403 -4.036 425 H GLU 56 HN GLU 56 -11.321 2.204 -3.334 426 HA GLU 56 HA GLU 56 -11.229 4.838 -4.305 427 1HB GLU 56 HB2 GLU 56 -12.314 4.086 -2.174 428 2HB GLU 56 HB1 GLU 56 -10.710 3.965 -1.467 429 1HG GLU 56 HG2 GLU 56 -10.867 6.090 -0.882 430 2HG GLU 56 HG1 GLU 56 -10.837 6.517 -2.592 431 H VAL 57 HN VAL 57 -8.674 2.690 -3.530 432 HA VAL 57 HA VAL 57 -6.764 4.818 -3.023 433 HB VAL 57 HB VAL 57 -6.541 2.669 -1.824 434 1HG1 VAL 57 HG11 VAL 57 -6.778 1.590 -4.467 435 2HG1 VAL 57 HG12 VAL 57 -6.821 0.759 -2.915 436 3HG1 VAL 57 HG13 VAL 57 -5.280 1.039 -3.723 437 1HG2 VAL 57 HG21 VAL 57 -4.303 3.524 -3.638 438 2HG2 VAL 57 HG22 VAL 57 -4.091 2.322 -2.365 439 3HG2 VAL 57 HG23 VAL 57 -4.575 3.967 -1.953 440 H PHE 58 HN PHE 58 -7.837 2.806 -5.635 441 HA PHE 58 HA PHE 58 -5.803 2.768 -7.429 442 1HB PHE 58 HB2 PHE 58 -8.737 3.283 -7.921 443 2HB PHE 58 HB1 PHE 58 -7.592 3.086 -9.235 444 HD1 PHE 58 HD1 PHE 58 -6.926 1.084 -6.314 445 HD2 PHE 58 HD2 PHE 58 -9.117 1.251 -9.956 446 HE1 PHE 58 HE1 PHE 58 -7.271 -1.350 -6.213 447 HE2 PHE 58 HE2 PHE 58 -9.464 -1.178 -9.863 448 HZ PHE 58 HZ PHE 58 -8.543 -2.480 -7.994 449 HA PRO 59 HA PRO 59 -6.965 7.270 -9.012 450 1HB PRO 59 HB2 PRO 59 -8.083 8.399 -6.511 451 2HB PRO 59 HB1 PRO 59 -8.610 8.621 -8.182 452 1HG PRO 59 HG2 PRO 59 -10.010 7.104 -6.494 453 2HG PRO 59 HG1 PRO 59 -9.827 6.652 -8.200 454 1HD PRO 59 HD2 PRO 59 -8.424 5.567 -5.789 455 2HD PRO 59 HD1 PRO 59 -9.043 4.714 -7.214 456 H LEU 60 HN LEU 60 -6.026 6.662 -5.679 457 HA LEU 60 HA LEU 60 -4.283 8.939 -5.514 458 1HB LEU 60 HB2 LEU 60 -5.201 8.211 -3.470 459 2HB LEU 60 HB1 LEU 60 -4.789 6.538 -3.784 460 HG LEU 60 HG LEU 60 -2.352 7.983 -3.729 461 1HD1 LEU 60 HD11 LEU 60 -3.053 8.455 -1.066 462 2HD1 LEU 60 HD12 LEU 60 -4.313 9.198 -2.050 463 3HD1 LEU 60 HD13 LEU 60 -2.625 9.633 -2.304 464 1HD2 LEU 60 HD21 LEU 60 -1.719 6.337 -2.291 465 2HD2 LEU 60 HD22 LEU 60 -3.162 5.579 -2.967 466 3HD2 LEU 60 HD23 LEU 60 -3.240 6.379 -1.398 467 H LEU 61 HN LEU 61 -3.756 5.435 -5.609 468 HA LEU 61 HA LEU 61 -0.968 5.576 -5.808 469 1HB LEU 61 HB2 LEU 61 -1.199 3.195 -6.683 470 2HB LEU 61 HB1 LEU 61 -1.820 3.537 -5.084 471 HG LEU 61 HG LEU 61 -4.072 3.898 -6.486 472 1HD1 LEU 61 HD11 LEU 61 -3.487 3.412 -8.638 473 2HD1 LEU 61 HD12 LEU 61 -4.016 1.831 -8.070 474 3HD1 LEU 61 HD13 LEU 61 -2.299 2.204 -8.156 475 1HD2 LEU 61 HD21 LEU 61 -3.409 1.072 -5.948 476 2HD2 LEU 61 HD22 LEU 61 -4.789 2.029 -5.423 477 3HD2 LEU 61 HD23 LEU 61 -3.235 2.194 -4.605 478 H GLU 62 HN GLU 62 -3.168 6.552 -8.129 479 HA GLU 62 HA GLU 62 -1.407 5.769 -10.340 480 1HB GLU 62 HB2 GLU 62 -4.297 6.467 -10.146 481 2HB GLU 62 HB1 GLU 62 -3.457 6.866 -11.639 482 1HG GLU 62 HG2 GLU 62 -2.681 4.268 -11.137 483 2HG GLU 62 HG1 GLU 62 -4.374 4.303 -10.646 484 H SER 63 HN SER 63 -2.037 8.371 -8.302 485 HA SER 63 HA SER 63 -0.995 10.284 -10.286 486 1HB SER 63 HB2 SER 63 -3.177 10.480 -8.409 487 2HB SER 63 HB1 SER 63 -1.972 11.719 -8.067 488 HG SER 63 HG SER 63 -2.345 12.637 -9.963 489 H ASP 64 HN ASP 64 1.016 10.985 -9.983 490 HA ASP 64 HA ASP 64 2.658 10.102 -7.901 491 1HB ASP 64 HB2 ASP 64 3.026 12.463 -9.757 492 2HB ASP 64 HB1 ASP 64 4.290 11.782 -8.737 493 H GLU 65 HN GLU 65 1.082 13.250 -8.384 494 HA GLU 65 HA GLU 65 2.096 14.538 -6.120 495 1HB GLU 65 HB2 GLU 65 0.933 15.763 -7.859 496 2HB GLU 65 HB1 GLU 65 -0.555 14.885 -7.532 497 1HG GLU 65 HG2 GLU 65 -0.717 17.072 -6.583 498 2HG GLU 65 HG1 GLU 65 -0.606 15.893 -5.276 499 H LEU 66 HN LEU 66 -0.977 12.772 -6.518 500 HA LEU 66 HA LEU 66 -1.864 13.014 -3.877 501 1HB LEU 66 HB2 LEU 66 -2.598 11.527 -6.232 502 2HB LEU 66 HB1 LEU 66 -2.722 10.501 -4.818 503 HG LEU 66 HG LEU 66 -4.825 11.722 -5.493 504 1HD1 LEU 66 HD11 LEU 66 -5.503 11.434 -3.394 505 2HD1 LEU 66 HD12 LEU 66 -4.410 12.676 -2.784 506 3HD1 LEU 66 HD13 LEU 66 -3.829 11.027 -3.019 507 1HD2 LEU 66 HD21 LEU 66 -3.820 14.134 -4.098 508 2HD2 LEU 66 HD22 LEU 66 -5.032 13.980 -5.370 509 3HD2 LEU 66 HD23 LEU 66 -3.316 13.902 -5.772 510 H PHE 67 HN PHE 67 0.467 10.896 -5.339 511 HA PHE 67 HA PHE 67 0.584 9.070 -3.125 512 1HB PHE 67 HB2 PHE 67 1.280 8.715 -5.653 513 2HB PHE 67 HB1 PHE 67 2.836 9.310 -5.075 514 HD1 PHE 67 HD1 PHE 67 4.363 7.750 -4.289 515 HD2 PHE 67 HD2 PHE 67 0.204 6.862 -4.120 516 HE1 PHE 67 HE1 PHE 67 4.877 5.514 -3.409 517 HE2 PHE 67 HE2 PHE 67 0.725 4.631 -3.246 518 HZ PHE 67 HZ PHE 67 3.041 3.950 -2.884 519 H GLU 68 HN GLU 68 2.777 11.575 -4.399 520 HA GLU 68 HA GLU 68 4.819 11.465 -2.617 521 1HB GLU 68 HB2 GLU 68 3.513 13.760 -4.017 522 2HB GLU 68 HB1 GLU 68 4.796 14.075 -2.857 523 1HG GLU 68 HG2 GLU 68 6.393 12.973 -4.131 524 2HG GLU 68 HG1 GLU 68 5.182 12.095 -5.063 525 H GLN 69 HN GLN 69 1.784 13.258 -2.100 526 HA GLN 69 HA GLN 69 2.373 14.350 0.384 527 1HB GLN 69 HB2 GLN 69 0.228 14.392 -1.287 528 2HB GLN 69 HB1 GLN 69 -0.401 13.419 0.034 529 1HG GLN 69 HG2 GLN 69 1.001 15.794 0.952 530 2HG GLN 69 HG1 GLN 69 -0.371 16.161 -0.093 531 1HE2 GLN 69 HE21 GLN 69 -1.723 16.956 1.429 532 2HE2 GLN 69 HE22 GLN 69 -2.370 16.022 2.732 533 H HIS 70 HN HIS 70 0.310 11.511 -0.117 534 HA HIS 70 HA HIS 70 0.338 10.696 2.577 535 1HB HIS 70 HB2 HIS 70 -0.526 9.490 0.015 536 2HB HIS 70 HB1 HIS 70 -0.188 8.357 1.320 537 HD2 HIS 70 HD2 HIS 70 -3.098 10.302 0.047 538 HE1 HIS 70 HE1 HIS 70 -3.847 9.793 4.194 539 HE2 HIS 70 HE2 HIS 70 -4.843 10.385 1.956 540 H TYR 71 HN TYR 71 2.211 9.499 -0.201 541 HA TYR 71 HA TYR 71 3.730 7.634 1.271 542 1HB TYR 71 HB2 TYR 71 3.774 7.203 -0.995 543 2HB TYR 71 HB1 TYR 71 3.915 8.896 -1.427 544 HD1 TYR 71 HD1 TYR 71 5.908 9.592 -2.332 545 HD2 TYR 71 HD2 TYR 71 5.914 6.257 0.302 546 HE1 TYR 71 HE1 TYR 71 8.311 9.281 -2.742 547 HE2 TYR 71 HE2 TYR 71 8.317 5.939 -0.095 548 HH TYR 71 HH TYR 71 10.157 8.152 -2.165 549 H LYS 72 HN LYS 72 3.809 11.030 1.242 550 HA LYS 72 HA LYS 72 6.554 11.548 1.587 551 1HB LYS 72 HB2 LYS 72 4.312 13.102 1.400 552 2HB LYS 72 HB1 LYS 72 4.717 13.283 3.098 553 1HG LYS 72 HG2 LYS 72 7.000 13.561 1.289 554 2HG LYS 72 HG1 LYS 72 5.739 14.780 1.076 555 1HD LYS 72 HD2 LYS 72 6.916 14.074 3.756 556 2HD LYS 72 HD1 LYS 72 7.548 15.365 2.731 557 1HE LYS 72 HE2 LYS 72 5.229 16.342 2.726 558 2HE LYS 72 HE1 LYS 72 4.808 15.159 3.963 559 1HZ LYS 72 HZ1 LYS 72 6.232 17.617 4.221 560 2HZ LYS 72 HZ2 LYS 72 7.106 16.327 4.878 561 3HZ LYS 72 HZ3 LYS 72 5.537 16.647 5.421 562 H GLU 73 HN GLU 73 4.043 11.609 4.126 563 HA GLU 73 HA GLU 73 5.740 11.684 6.301 564 1HB GLU 73 HB2 GLU 73 3.007 10.441 6.013 565 2HB GLU 73 HB1 GLU 73 3.834 10.582 7.559 566 1HG GLU 73 HG2 GLU 73 2.955 12.597 7.775 567 2HG GLU 73 HG1 GLU 73 3.959 13.126 6.427 568 H ALA 74 HN ALA 74 4.571 8.870 4.529 569 HA ALA 74 HA ALA 74 5.786 6.968 6.276 570 1HB ALA 74 HB1 ALA 74 4.648 5.460 5.092 571 2HB ALA 74 HB2 ALA 74 5.278 6.057 3.559 572 3HB ALA 74 HB3 ALA 74 3.889 6.845 4.307 573 H SER 75 HN SER 75 6.818 8.691 3.399 574 HA SER 75 HA SER 75 8.972 7.033 2.688 575 1HB SER 75 HB2 SER 75 9.832 8.896 1.416 576 2HB SER 75 HB1 SER 75 8.077 8.920 1.278 577 HG SER 75 HG SER 75 9.790 10.659 2.634 578 H ALA 76 HN ALA 76 8.921 9.997 4.660 579 HA ALA 76 HA ALA 76 11.539 10.171 5.426 580 1HB ALA 76 HB1 ALA 76 10.541 11.884 6.459 581 2HB ALA 76 HB2 ALA 76 10.202 10.758 7.775 582 3HB ALA 76 HB3 ALA 76 8.992 11.043 6.524 583 H ALA 77 HN ALA 77 9.058 8.041 6.669 584 HA ALA 77 HA ALA 77 10.734 6.839 8.687 585 1HB ALA 77 HB1 ALA 77 8.210 6.941 8.763 586 2HB ALA 77 HB2 ALA 77 8.920 5.361 9.099 587 3HB ALA 77 HB3 ALA 77 8.209 5.690 7.519 588 H TYR 78 HN TYR 78 9.609 6.062 5.457 589 HA TYR 78 HA TYR 78 10.570 3.517 5.065 590 1HB TYR 78 HB2 TYR 78 9.234 4.614 3.404 591 2HB TYR 78 HB1 TYR 78 10.431 5.870 3.178 592 HD1 TYR 78 HD1 TYR 78 9.938 5.264 0.737 593 HD2 TYR 78 HD2 TYR 78 11.952 2.639 3.409 594 HE1 TYR 78 HE1 TYR 78 10.830 4.019 -1.183 595 HE2 TYR 78 HE2 TYR 78 12.875 1.406 1.499 596 HH TYR 78 HH TYR 78 13.284 1.585 -0.805 597 H GLU 79 HN GLU 79 12.314 6.492 4.158 598 HA GLU 79 HA GLU 79 14.743 5.243 3.590 599 1HB GLU 79 HB2 GLU 79 14.368 8.054 4.634 600 2HB GLU 79 HB1 GLU 79 15.756 7.446 3.742 601 1HG GLU 79 HG2 GLU 79 13.851 6.880 1.971 602 2HG GLU 79 HG1 GLU 79 13.081 8.246 2.782 603 H SER 80 HN SER 80 13.685 6.855 6.557 604 HA SER 80 HA SER 80 16.002 6.481 8.029 605 1HB SER 80 HB2 SER 80 13.979 7.911 8.614 606 2HB SER 80 HB1 SER 80 13.243 6.434 9.238 607 HG SER 80 HG SER 80 15.811 7.258 10.069 608 H PHE 81 HN PHE 81 13.091 4.454 7.974 609 HA PHE 81 HA PHE 81 14.179 2.516 9.729 610 1HB PHE 81 HB2 PHE 81 12.082 1.740 9.807 611 2HB PHE 81 HB1 PHE 81 11.676 3.158 8.857 612 HD1 PHE 81 HD1 PHE 81 12.712 -0.400 8.438 613 HD2 PHE 81 HD2 PHE 81 10.543 2.925 6.909 614 HE1 PHE 81 HE1 PHE 81 11.741 -1.838 6.693 615 HE2 PHE 81 HE2 PHE 81 9.578 1.498 5.159 616 HZ PHE 81 HZ PHE 81 10.169 -0.882 5.061 617 H LYS 82 HN LYS 82 13.563 2.417 6.210 618 HA LYS 82 HA LYS 82 14.683 -0.129 5.836 619 1HB LYS 82 HB2 LYS 82 14.619 0.276 3.519 620 2HB LYS 82 HB1 LYS 82 13.271 1.186 4.182 621 1HG LYS 82 HG2 LYS 82 14.056 2.846 2.915 622 2HG LYS 82 HG1 LYS 82 15.233 3.060 4.213 623 1HD LYS 82 HD2 LYS 82 16.902 2.532 2.836 624 2HD LYS 82 HD1 LYS 82 16.137 0.991 2.451 625 1HE LYS 82 HE2 LYS 82 16.483 2.243 0.423 626 2HE LYS 82 HE1 LYS 82 14.755 2.140 0.759 627 1HZ LYS 82 HZ1 LYS 82 16.045 4.465 1.878 628 2HZ LYS 82 HZ2 LYS 82 14.598 4.342 1.009 629 3HZ LYS 82 HZ3 LYS 82 16.075 4.411 0.186 630 H LYS 83 HN LYS 83 16.188 2.957 6.311 631 HA LYS 83 HA LYS 83 18.781 2.010 5.382 632 1HB LYS 83 HB2 LYS 83 17.858 4.649 6.509 633 2HB LYS 83 HB1 LYS 83 19.548 4.293 6.202 634 1HG LYS 83 HG2 LYS 83 17.684 3.819 3.967 635 2HG LYS 83 HG1 LYS 83 17.962 5.498 4.425 636 1HD LYS 83 HD2 LYS 83 20.492 4.661 4.412 637 2HD LYS 83 HD1 LYS 83 19.826 3.508 3.254 638 1HE LYS 83 HE2 LYS 83 19.272 5.153 1.732 639 2HE LYS 83 HE1 LYS 83 19.201 6.412 2.964 640 1HZ LYS 83 HZ1 LYS 83 21.337 6.894 2.665 641 2HZ LYS 83 HZ2 LYS 83 21.277 5.950 1.264 642 3HZ LYS 83 HZ3 LYS 83 21.814 5.272 2.717 643 H GLU 84 HN GLU 84 17.035 2.468 8.363 644 HA GLU 84 HA GLU 84 19.276 2.416 10.100 645 1HB GLU 84 HB2 GLU 84 16.827 3.141 10.577 646 2HB GLU 84 HB1 GLU 84 16.558 1.438 10.914 647 1HG GLU 84 HG2 GLU 84 18.367 1.531 12.596 648 2HG GLU 84 HG1 GLU 84 18.508 3.262 12.299 649 H GLN 85 HN GLN 85 17.263 -0.073 8.670 650 HA GLN 85 HA GLN 85 18.562 -2.156 10.231 651 1HB GLN 85 HB2 GLN 85 16.289 -2.113 8.271 652 2HB GLN 85 HB1 GLN 85 17.053 -3.632 8.721 653 1HG GLN 85 HG2 GLN 85 16.619 -2.730 11.158 654 2HG GLN 85 HG1 GLN 85 15.369 -1.797 10.336 655 1HE2 GLN 85 HE21 GLN 85 15.591 -4.306 12.179 656 2HE2 GLN 85 HE22 GLN 85 14.453 -5.392 11.466 657 H GLU 86 HN GLU 86 20.018 -0.503 8.189 658 HA GLU 86 HA GLU 86 20.659 -2.388 6.091 659 1HB GLU 86 HB2 GLU 86 21.085 0.434 6.590 660 2HB GLU 86 HB1 GLU 86 22.566 -0.343 6.060 661 1HG GLU 86 HG2 GLU 86 20.742 -1.349 4.303 662 2HG GLU 86 HG1 GLU 86 20.134 0.283 4.577 663 H GLN 87 HN GLN 87 21.793 -1.558 9.221 664 HA GLN 87 HA GLN 87 24.471 -2.507 8.905 665 1HB GLN 87 HB2 GLN 87 22.871 -1.304 10.996 666 2HB GLN 87 HB1 GLN 87 23.812 -2.648 11.626 667 1HG GLN 87 HG2 GLN 87 25.565 -1.311 11.747 668 2HG GLN 87 HG1 GLN 87 25.554 -1.182 9.989 669 1HE2 GLN 87 HE21 GLN 87 25.296 0.481 12.874 670 2HE2 GLN 87 HE22 GLN 87 24.688 1.978 12.263 671 H GLN 88 HN GLN 88 21.446 -4.030 9.307 672 HA GLN 88 HA GLN 88 22.536 -6.422 10.536 673 1HB GLN 88 HB2 GLN 88 20.043 -5.280 10.568 674 2HB GLN 88 HB1 GLN 88 19.831 -6.576 9.397 675 1HG GLN 88 HG2 GLN 88 20.888 -8.097 11.151 676 2HG GLN 88 HG1 GLN 88 20.613 -6.775 12.283 677 1HE2 GLN 88 HE21 GLN 88 18.186 -5.826 11.423 678 2HE2 GLN 88 HE22 GLN 88 16.973 -7.028 11.673 679 H THR 89 HN THR 89 22.071 -8.562 9.493 680 HA THR 89 HA THR 89 22.640 -8.386 6.608 681 HB THR 89 HB THR 89 23.858 -10.456 6.798 682 HG1 THR 89 HG1 THR 89 22.611 -11.494 8.363 683 1HG2 THR 89 HG21 THR 89 24.594 -8.574 9.024 684 2HG2 THR 89 HG22 THR 89 25.218 -8.581 7.374 685 3HG2 THR 89 HG23 THR 89 25.604 -9.910 8.468 686 H GLU 90 HN GLU 90 20.700 -8.607 5.643 687 HA GLU 90 HA GLU 90 18.701 -10.437 6.594 688 1HB GLU 90 HB2 GLU 90 18.913 -8.720 4.123 689 2HB GLU 90 HB1 GLU 90 17.546 -9.784 4.427 690 1HG GLU 90 HG2 GLU 90 17.613 -8.441 6.752 691 2HG GLU 90 HG1 GLU 90 18.265 -7.213 5.666 692 H GLN 91 HN GLN 91 21.308 -10.534 4.313 693 HA GLN 91 HA GLN 91 20.375 -12.732 2.766 694 1HB GLN 91 HB2 GLN 91 22.450 -10.945 2.555 695 2HB GLN 91 HB1 GLN 91 23.288 -12.430 2.984 696 1HG GLN 91 HG2 GLN 91 23.138 -13.129 0.895 697 2HG GLN 91 HG1 GLN 91 21.379 -13.054 0.985 698 1HE2 GLN 91 HE21 GLN 91 20.373 -11.663 -0.289 699 2HE2 GLN 91 HE22 GLN 91 21.115 -10.358 -1.144 700 H ALA 92 HN ALA 92 21.064 -14.904 2.817 701 HA ALA 92 HA ALA 92 21.568 -15.881 5.508 702 1HB ALA 92 HB1 ALA 92 19.912 -16.787 3.612 703 2HB ALA 92 HB2 ALA 92 20.596 -17.824 4.863 704 3HB ALA 92 HB3 ALA 92 21.322 -17.783 3.258 Start of MODEL 25 1 1H GLY 1 HT1 GLY 1 8.935 -35.044 4.461 2 2H GLY 1 HT2 GLY 1 9.833 -34.276 3.250 3 3H GLY 1 HT3 GLY 1 10.583 -34.735 4.693 4 1HA GLY 1 HA1 GLY 1 11.143 -36.251 2.885 5 2HA GLY 1 HA2 GLY 1 10.284 -37.055 4.192 6 HA PRO 2 HA PRO 2 7.344 -38.581 1.288 7 1HB PRO 2 HB2 PRO 2 5.023 -38.527 2.708 8 2HB PRO 2 HB1 PRO 2 6.304 -39.712 2.991 9 1HG PRO 2 HG2 PRO 2 5.693 -37.190 4.481 10 2HG PRO 2 HG1 PRO 2 6.139 -38.785 5.115 11 1HD PRO 2 HD2 PRO 2 7.918 -36.759 4.912 12 2HD PRO 2 HD1 PRO 2 8.386 -38.459 4.706 13 H LEU 3 HN LEU 3 6.498 -37.602 -0.432 14 HA LEU 3 HA LEU 3 5.640 -34.860 -0.296 15 1HB LEU 3 HB2 LEU 3 6.747 -36.427 -2.256 16 2HB LEU 3 HB1 LEU 3 5.075 -36.323 -2.773 17 HG LEU 3 HG LEU 3 5.616 -33.708 -2.205 18 1HD1 LEU 3 HD11 LEU 3 8.034 -34.427 -3.741 19 2HD1 LEU 3 HD12 LEU 3 8.081 -34.729 -2.004 20 3HD1 LEU 3 HD13 LEU 3 7.756 -33.104 -2.608 21 1HD2 LEU 3 HD21 LEU 3 6.382 -34.377 -4.922 22 2HD2 LEU 3 HD22 LEU 3 4.988 -33.475 -4.330 23 3HD2 LEU 3 HD23 LEU 3 4.929 -35.236 -4.408 24 H GLY 4 HN GLY 4 3.736 -34.570 0.733 25 1HA GLY 4 HA2 GLY 4 1.515 -36.367 0.378 26 2HA GLY 4 HA1 GLY 4 1.509 -34.867 1.295 27 H SER 5 HN SER 5 -0.492 -35.893 -0.570 28 HA SER 5 HA SER 5 -0.285 -34.218 -2.919 29 1HB SER 5 HB2 SER 5 -2.046 -36.392 -1.991 30 2HB SER 5 HB1 SER 5 -2.845 -35.153 -2.958 31 HG SER 5 HG SER 5 -1.789 -37.023 -4.072 32 HA PRO 6 HA PRO 6 -2.301 -30.868 -0.671 33 1HB PRO 6 HB2 PRO 6 -1.891 -28.946 -2.493 34 2HB PRO 6 HB1 PRO 6 -0.573 -29.564 -1.489 35 1HG PRO 6 HG2 PRO 6 -1.274 -30.241 -4.321 36 2HG PRO 6 HG1 PRO 6 0.318 -29.921 -3.610 37 1HD PRO 6 HD2 PRO 6 -0.650 -32.435 -4.077 38 2HD PRO 6 HD1 PRO 6 0.521 -32.055 -2.799 39 H ARG 7 HN ARG 7 -3.813 -32.801 -2.409 40 HA ARG 7 HA ARG 7 -5.679 -31.054 -3.806 41 1HB ARG 7 HB2 ARG 7 -5.421 -34.057 -3.649 42 2HB ARG 7 HB1 ARG 7 -6.750 -33.250 -4.469 43 1HG ARG 7 HG2 ARG 7 -3.837 -32.920 -5.158 44 2HG ARG 7 HG1 ARG 7 -4.974 -33.969 -6.007 45 1HD ARG 7 HD2 ARG 7 -4.958 -32.055 -7.318 46 2HD ARG 7 HD1 ARG 7 -6.379 -31.821 -6.300 47 HE ARG 7 HE ARG 7 -4.238 -30.633 -4.993 48 1HH1 ARG 7 HH11 ARG 7 -5.952 -30.228 -8.005 49 2HH1 ARG 7 HH12 ARG 7 -5.680 -28.518 -8.072 50 1HH2 ARG 7 HH21 ARG 7 -3.881 -28.389 -5.076 51 2HH2 ARG 7 HH22 ARG 7 -4.504 -27.472 -6.408 52 H ASN 8 HN ASN 8 -5.567 -30.773 -1.011 53 HA ASN 8 HA ASN 8 -8.084 -31.988 -0.107 54 1HB ASN 8 HB2 ASN 8 -5.745 -32.030 1.194 55 2HB ASN 8 HB1 ASN 8 -6.336 -30.474 1.770 56 1HD2 ASN 8 HD21 ASN 8 -6.943 -33.908 1.662 57 2HD2 ASN 8 HD22 ASN 8 -8.055 -33.952 2.983 58 H ALA 9 HN ALA 9 -6.285 -28.929 -0.090 59 HA ALA 9 HA ALA 9 -8.485 -27.348 0.770 60 1HB ALA 9 HB1 ALA 9 -6.658 -25.724 -0.654 61 2HB ALA 9 HB2 ALA 9 -5.719 -26.953 0.193 62 3HB ALA 9 HB3 ALA 9 -6.821 -25.912 1.092 63 H ASN 10 HN ASN 10 -9.269 -25.464 -0.625 64 HA ASN 10 HA ASN 10 -10.281 -26.590 -3.104 65 1HB ASN 10 HB2 ASN 10 -10.933 -23.956 -1.764 66 2HB ASN 10 HB1 ASN 10 -11.793 -24.665 -3.128 67 1HD2 ASN 10 HD21 ASN 10 -12.601 -26.942 -2.698 68 2HD2 ASN 10 HD22 ASN 10 -13.338 -27.213 -1.159 69 H ASP 11 HN ASP 11 -10.160 -25.524 -5.129 70 HA ASP 11 HA ASP 11 -7.598 -24.401 -5.672 71 1HB ASP 11 HB2 ASP 11 -8.513 -24.155 -8.005 72 2HB ASP 11 HB1 ASP 11 -8.595 -25.788 -7.349 73 H ASN 12 HN ASN 12 -7.577 -22.412 -7.247 74 HA ASN 12 HA ASN 12 -8.626 -20.192 -5.711 75 1HB ASN 12 HB2 ASN 12 -6.444 -20.629 -7.578 76 2HB ASN 12 HB1 ASN 12 -7.338 -19.161 -7.962 77 1HD2 ASN 12 HD21 ASN 12 -5.853 -17.698 -7.323 78 2HD2 ASN 12 HD22 ASN 12 -5.317 -17.510 -5.692 79 H ASN 13 HN ASN 13 -10.029 -18.618 -6.455 80 HA ASN 13 HA ASN 13 -11.411 -19.205 -8.988 81 1HB ASN 13 HB2 ASN 13 -12.686 -18.230 -6.423 82 2HB ASN 13 HB1 ASN 13 -13.520 -18.497 -7.950 83 1HD2 ASN 13 HD21 ASN 13 -14.355 -19.726 -5.659 84 2HD2 ASN 13 HD22 ASN 13 -14.049 -21.424 -5.762 85 H GLN 14 HN GLN 14 -12.573 -17.310 -9.889 86 HA GLN 14 HA GLN 14 -10.887 -14.945 -9.643 87 1HB GLN 14 HB2 GLN 14 -13.131 -15.333 -11.613 88 2HB GLN 14 HB1 GLN 14 -11.744 -14.261 -11.742 89 1HG GLN 14 HG2 GLN 14 -11.026 -15.887 -13.126 90 2HG GLN 14 HG1 GLN 14 -10.447 -16.580 -11.612 91 1HE2 GLN 14 HE21 GLN 14 -13.293 -16.541 -13.719 92 2HE2 GLN 14 HE22 GLN 14 -13.717 -18.197 -13.470 93 H PHE 15 HN PHE 15 -14.054 -16.034 -8.790 94 HA PHE 15 HA PHE 15 -15.203 -13.420 -8.524 95 1HB PHE 15 HB2 PHE 15 -16.111 -16.151 -8.329 96 2HB PHE 15 HB1 PHE 15 -16.688 -15.219 -6.952 97 HD1 PHE 15 HD1 PHE 15 -17.703 -12.867 -7.569 98 HD2 PHE 15 HD2 PHE 15 -17.358 -16.149 -10.258 99 HE1 PHE 15 HE1 PHE 15 -19.489 -11.909 -8.964 100 HE2 PHE 15 HE2 PHE 15 -19.143 -15.195 -11.656 101 HZ PHE 15 HZ PHE 15 -20.211 -13.071 -11.011 102 H TYR 16 HN TYR 16 -13.212 -15.411 -6.573 103 HA TYR 16 HA TYR 16 -13.985 -14.260 -4.054 104 1HB TYR 16 HB2 TYR 16 -12.547 -16.513 -4.835 105 2HB TYR 16 HB1 TYR 16 -11.340 -15.473 -4.085 106 HD1 TYR 16 HD1 TYR 16 -11.466 -14.926 -1.722 107 HD2 TYR 16 HD2 TYR 16 -14.383 -17.433 -3.540 108 HE1 TYR 16 HE1 TYR 16 -12.234 -15.637 0.503 109 HE2 TYR 16 HE2 TYR 16 -15.161 -18.150 -1.320 110 HH TYR 16 HH TYR 16 -15.126 -17.215 1.033 111 H GLN 17 HN GLN 17 -10.860 -14.205 -5.773 112 HA GLN 17 HA GLN 17 -10.185 -11.707 -4.446 113 1HB GLN 17 HB2 GLN 17 -8.507 -13.254 -6.420 114 2HB GLN 17 HB1 GLN 17 -7.962 -12.039 -5.271 115 1HG GLN 17 HG2 GLN 17 -7.958 -13.480 -3.532 116 2HG GLN 17 HG1 GLN 17 -9.316 -14.416 -4.155 117 1HE2 GLN 17 HE21 GLN 17 -7.041 -15.578 -3.073 118 2HE2 GLN 17 HE22 GLN 17 -6.200 -16.426 -4.319 119 H GLN 18 HN GLN 18 -10.446 -9.778 -5.334 120 HA GLN 18 HA GLN 18 -11.487 -9.498 -7.988 121 1HB GLN 18 HB2 GLN 18 -10.956 -7.723 -5.677 122 2HB GLN 18 HB1 GLN 18 -10.933 -6.960 -7.260 123 1HG GLN 18 HG2 GLN 18 -13.211 -8.381 -7.449 124 2HG GLN 18 HG1 GLN 18 -13.178 -8.052 -5.717 125 1HE2 GLN 18 HE21 GLN 18 -12.785 -6.443 -8.848 126 2HE2 GLN 18 HE22 GLN 18 -13.523 -4.955 -8.372 127 H LYS 19 HN LYS 19 -10.358 -9.290 -9.812 128 HA LYS 19 HA LYS 19 -7.522 -9.209 -9.808 129 1HB LYS 19 HB2 LYS 19 -9.279 -10.112 -11.594 130 2HB LYS 19 HB1 LYS 19 -9.025 -8.509 -12.277 131 1HG LYS 19 HG2 LYS 19 -6.470 -9.267 -11.867 132 2HG LYS 19 HG1 LYS 19 -7.225 -10.832 -12.173 133 1HD LYS 19 HD2 LYS 19 -7.245 -10.408 -14.355 134 2HD LYS 19 HD1 LYS 19 -8.231 -8.971 -14.078 135 1HE LYS 19 HE2 LYS 19 -5.682 -8.190 -13.323 136 2HE LYS 19 HE1 LYS 19 -5.414 -9.198 -14.745 137 1HZ LYS 19 HZ1 LYS 19 -6.635 -6.590 -14.538 138 2HZ LYS 19 HZ2 LYS 19 -7.483 -7.673 -15.523 139 3HZ LYS 19 HZ3 LYS 19 -5.862 -7.323 -15.853 140 H GLN 20 HN GLN 20 -9.989 -6.800 -9.977 141 HA GLN 20 HA GLN 20 -8.185 -4.741 -10.924 142 1HB GLN 20 HB2 GLN 20 -11.094 -4.877 -10.262 143 2HB GLN 20 HB1 GLN 20 -10.303 -3.306 -10.275 144 1HG GLN 20 HG2 GLN 20 -10.094 -5.196 -12.592 145 2HG GLN 20 HG1 GLN 20 -11.448 -4.081 -12.416 146 1HE2 GLN 20 HE21 GLN 20 -8.326 -4.480 -13.569 147 2HE2 GLN 20 HE22 GLN 20 -7.957 -2.825 -13.900 148 H ARG 21 HN ARG 21 -9.575 -5.859 -7.923 149 HA ARG 21 HA ARG 21 -9.021 -3.662 -6.271 150 1HB ARG 21 HB2 ARG 21 -10.382 -5.774 -5.766 151 2HB ARG 21 HB1 ARG 21 -8.842 -6.517 -5.356 152 1HG ARG 21 HG2 ARG 21 -8.471 -4.806 -3.651 153 2HG ARG 21 HG1 ARG 21 -10.017 -4.062 -4.065 154 1HD ARG 21 HD2 ARG 21 -10.444 -5.390 -2.169 155 2HD ARG 21 HD1 ARG 21 -11.073 -6.301 -3.539 156 HE ARG 21 HE ARG 21 -8.446 -6.869 -2.330 157 1HH1 ARG 21 HH11 ARG 21 -11.539 -7.962 -3.552 158 2HH1 ARG 21 HH12 ARG 21 -11.135 -9.637 -3.403 159 1HH2 ARG 21 HH21 ARG 21 -7.929 -9.070 -2.145 160 2HH2 ARG 21 HH22 ARG 21 -9.093 -10.266 -2.607 161 H GLN 22 HN GLN 22 -7.124 -6.644 -6.716 162 HA GLN 22 HA GLN 22 -4.864 -5.503 -5.347 163 1HB GLN 22 HB2 GLN 22 -5.653 -8.014 -5.520 164 2HB GLN 22 HB1 GLN 22 -4.652 -8.003 -6.966 165 1HG GLN 22 HG2 GLN 22 -2.853 -8.311 -5.725 166 2HG GLN 22 HG1 GLN 22 -3.165 -6.791 -4.887 167 1HE2 GLN 22 HE21 GLN 22 -2.180 -9.538 -4.059 168 2HE2 GLN 22 HE22 GLN 22 -3.144 -9.929 -2.681 169 H ALA 23 HN ALA 23 -6.062 -5.293 -8.482 170 HA ALA 23 HA ALA 23 -3.654 -5.319 -9.984 171 1HB ALA 23 HB1 ALA 23 -5.434 -5.486 -11.398 172 2HB ALA 23 HB2 ALA 23 -5.181 -3.743 -11.491 173 3HB ALA 23 HB3 ALA 23 -6.436 -4.396 -10.439 174 H LEU 24 HN LEU 24 -5.695 -2.490 -9.353 175 HA LEU 24 HA LEU 24 -3.570 -0.648 -9.705 176 1HB LEU 24 HB2 LEU 24 -6.393 -0.512 -8.783 177 2HB LEU 24 HB1 LEU 24 -5.358 0.857 -8.432 178 HG LEU 24 HG LEU 24 -6.612 1.247 -10.467 179 1HD1 LEU 24 HD11 LEU 24 -3.682 0.739 -10.939 180 2HD1 LEU 24 HD12 LEU 24 -4.441 2.243 -10.423 181 3HD1 LEU 24 HD13 LEU 24 -4.729 1.622 -12.047 182 1HD2 LEU 24 HD21 LEU 24 -5.448 -1.387 -11.289 183 2HD2 LEU 24 HD22 LEU 24 -6.052 -0.221 -12.467 184 3HD2 LEU 24 HD23 LEU 24 -7.140 -0.888 -11.247 185 H GLY 25 HN GLY 25 -4.959 -2.274 -6.930 186 1HA GLY 25 HA2 GLY 25 -3.809 -0.710 -4.896 187 2HA GLY 25 HA1 GLY 25 -4.253 -2.407 -4.743 188 H GLU 26 HN GLU 26 -2.568 -3.483 -6.715 189 HA GLU 26 HA GLU 26 -0.184 -3.841 -5.284 190 1HB GLU 26 HB2 GLU 26 -1.237 -4.659 -7.904 191 2HB GLU 26 HB1 GLU 26 0.513 -4.508 -7.853 192 1HG GLU 26 HG2 GLU 26 0.312 -5.924 -5.689 193 2HG GLU 26 HG1 GLU 26 -1.268 -6.359 -6.338 194 H GLN 27 HN GLN 27 -1.166 -1.494 -7.662 195 HA GLN 27 HA GLN 27 1.367 -0.571 -8.435 196 1HB GLN 27 HB2 GLN 27 -1.385 0.506 -8.539 197 2HB GLN 27 HB1 GLN 27 -0.080 1.676 -8.657 198 1HG GLN 27 HG2 GLN 27 0.394 -0.609 -10.355 199 2HG GLN 27 HG1 GLN 27 -1.158 0.149 -10.708 200 1HE2 GLN 27 HE21 GLN 27 -0.553 0.987 -12.662 201 2HE2 GLN 27 HE22 GLN 27 0.597 2.265 -12.830 202 H LEU 28 HN LEU 28 -0.545 -0.097 -5.591 203 HA LEU 28 HA LEU 28 0.697 2.207 -4.544 204 1HB LEU 28 HB2 LEU 28 -1.387 0.714 -3.757 205 2HB LEU 28 HB1 LEU 28 -0.166 0.039 -2.696 206 HG LEU 28 HG LEU 28 0.310 2.452 -1.977 207 1HD1 LEU 28 HD11 LEU 28 -0.971 4.146 -2.672 208 2HD1 LEU 28 HD12 LEU 28 -2.445 3.177 -2.651 209 3HD1 LEU 28 HD13 LEU 28 -1.344 3.081 -4.025 210 1HD2 LEU 28 HD21 LEU 28 -1.719 0.577 -1.171 211 2HD2 LEU 28 HD22 LEU 28 -2.255 2.230 -0.860 212 3HD2 LEU 28 HD23 LEU 28 -0.732 1.652 -0.183 213 H TYR 29 HN TYR 29 1.430 -1.229 -4.329 214 HA TYR 29 HA TYR 29 3.637 -0.922 -2.538 215 1HB TYR 29 HB2 TYR 29 2.125 -3.016 -3.131 216 2HB TYR 29 HB1 TYR 29 3.404 -3.315 -4.303 217 HD1 TYR 29 HD1 TYR 29 2.332 -4.254 -1.207 218 HD2 TYR 29 HD2 TYR 29 5.866 -2.843 -3.110 219 HE1 TYR 29 HE1 TYR 29 3.690 -5.298 0.557 220 HE2 TYR 29 HE2 TYR 29 7.237 -3.885 -1.351 221 HH TYR 29 HH TYR 29 5.744 -5.594 1.381 222 H LYS 30 HN LYS 30 3.419 -1.487 -6.059 223 HA LYS 30 HA LYS 30 6.223 -1.571 -6.442 224 1HB LYS 30 HB2 LYS 30 5.670 -1.223 -8.858 225 2HB LYS 30 HB1 LYS 30 4.830 -2.568 -8.099 226 1HG LYS 30 HG2 LYS 30 2.800 -1.556 -8.212 227 2HG LYS 30 HG1 LYS 30 3.475 0.072 -8.152 228 1HD LYS 30 HD2 LYS 30 3.610 -1.804 -10.516 229 2HD LYS 30 HD1 LYS 30 2.501 -0.441 -10.348 230 1HE LYS 30 HE2 LYS 30 5.511 -0.221 -10.359 231 2HE LYS 30 HE1 LYS 30 4.478 0.067 -11.755 232 1HZ LYS 30 HZ1 LYS 30 3.327 1.730 -10.146 233 2HZ LYS 30 HZ2 LYS 30 4.752 2.172 -10.942 234 3HZ LYS 30 HZ3 LYS 30 4.805 1.682 -9.324 235 H LYS 31 HN LYS 31 3.904 1.085 -6.529 236 HA LYS 31 HA LYS 31 5.548 3.004 -7.750 237 1HB LYS 31 HB2 LYS 31 3.037 3.122 -7.207 238 2HB LYS 31 HB1 LYS 31 3.539 3.688 -5.620 239 1HG LYS 31 HG2 LYS 31 3.995 5.732 -6.381 240 2HG LYS 31 HG1 LYS 31 4.854 5.107 -7.789 241 1HD LYS 31 HD2 LYS 31 2.788 4.792 -8.977 242 2HD LYS 31 HD1 LYS 31 1.851 5.217 -7.545 243 1HE LYS 31 HE2 LYS 31 1.817 7.289 -8.376 244 2HE LYS 31 HE1 LYS 31 3.500 7.389 -7.859 245 1HZ LYS 31 HZ1 LYS 31 4.239 7.274 -9.961 246 2HZ LYS 31 HZ2 LYS 31 2.683 7.798 -10.366 247 3HZ LYS 31 HZ3 LYS 31 3.069 6.153 -10.445 248 H VAL 32 HN VAL 32 5.293 1.959 -4.420 249 HA VAL 32 HA VAL 32 7.104 4.006 -3.462 250 HB VAL 32 HB VAL 32 6.924 2.894 -1.291 251 1HG1 VAL 32 HG11 VAL 32 5.254 4.453 -1.513 252 2HG1 VAL 32 HG12 VAL 32 4.306 2.995 -1.213 253 3HG1 VAL 32 HG13 VAL 32 4.494 3.601 -2.856 254 1HG2 VAL 32 HG21 VAL 32 6.712 0.647 -1.486 255 2HG2 VAL 32 HG22 VAL 32 5.713 0.753 -2.925 256 3HG2 VAL 32 HG23 VAL 32 5.005 1.045 -1.341 257 H SER 33 HN SER 33 7.232 0.533 -4.176 258 HA SER 33 HA SER 33 9.991 0.315 -3.418 259 1HB SER 33 HB2 SER 33 7.921 -1.496 -3.963 260 2HB SER 33 HB1 SER 33 9.110 -1.765 -5.237 261 HG SER 33 HG SER 33 9.421 -2.978 -3.229 262 H ALA 34 HN ALA 34 8.842 2.153 -5.716 263 HA ALA 34 HA ALA 34 10.058 1.317 -8.113 264 1HB ALA 34 HB1 ALA 34 9.963 4.143 -8.072 265 2HB ALA 34 HB2 ALA 34 8.550 3.550 -7.204 266 3HB ALA 34 HB3 ALA 34 8.850 3.020 -8.856 267 H LYS 35 HN LYS 35 11.495 2.260 -5.245 268 HA LYS 35 HA LYS 35 13.855 3.371 -6.594 269 1HB LYS 35 HB2 LYS 35 12.852 3.471 -3.765 270 2HB LYS 35 HB1 LYS 35 14.548 3.768 -4.117 271 1HG LYS 35 HG2 LYS 35 13.906 5.601 -5.613 272 2HG LYS 35 HG1 LYS 35 12.211 5.316 -5.210 273 1HD LYS 35 HD2 LYS 35 12.635 5.845 -2.888 274 2HD LYS 35 HD1 LYS 35 14.361 6.018 -3.213 275 1HE LYS 35 HE2 LYS 35 12.278 7.692 -4.589 276 2HE LYS 35 HE1 LYS 35 13.001 8.158 -3.049 277 1HZ LYS 35 HZ1 LYS 35 14.684 9.015 -4.176 278 2HZ LYS 35 HZ2 LYS 35 14.035 8.485 -5.645 279 3HZ LYS 35 HZ3 LYS 35 15.081 7.481 -4.773 280 H THR 36 HN THR 36 12.666 0.515 -5.171 281 HA THR 36 HA THR 36 14.940 -0.998 -5.764 282 HB THR 36 HB THR 36 16.108 0.011 -3.969 283 HG1 THR 36 HG1 THR 36 16.277 -1.721 -2.460 284 1HG2 THR 36 HG21 THR 36 13.615 0.477 -2.829 285 2HG2 THR 36 HG22 THR 36 15.193 0.921 -2.177 286 3HG2 THR 36 HG23 THR 36 14.443 -0.606 -1.713 287 H SER 37 HN SER 37 14.779 -3.248 -4.894 288 HA SER 37 HA SER 37 11.962 -3.996 -4.714 289 1HB SER 37 HB2 SER 37 14.265 -5.135 -5.964 290 2HB SER 37 HB1 SER 37 13.642 -6.295 -4.794 291 HG SER 37 HG SER 37 12.493 -6.671 -6.610 292 H ASN 38 HN ASN 38 13.069 -2.799 -2.450 293 HA ASN 38 HA ASN 38 13.797 -4.816 -0.532 294 1HB ASN 38 HB2 ASN 38 13.278 -1.861 -0.404 295 2HB ASN 38 HB1 ASN 38 13.443 -2.805 1.075 296 1HD2 ASN 38 HD21 ASN 38 15.158 -0.711 0.283 297 2HD2 ASN 38 HD22 ASN 38 16.728 -1.380 0.016 298 H GLU 39 HN GLU 39 12.175 -6.279 -0.267 299 HA GLU 39 HA GLU 39 9.448 -5.841 -0.263 300 1HB GLU 39 HB2 GLU 39 11.011 -7.898 1.300 301 2HB GLU 39 HB1 GLU 39 9.279 -7.960 1.005 302 1HG GLU 39 HG2 GLU 39 10.816 -7.639 -1.438 303 2HG GLU 39 HG1 GLU 39 11.245 -9.098 -0.546 304 H GLU 40 HN GLU 40 11.750 -5.321 2.315 305 HA GLU 40 HA GLU 40 9.692 -4.939 4.321 306 1HB GLU 40 HB2 GLU 40 12.527 -5.366 4.314 307 2HB GLU 40 HB1 GLU 40 12.177 -3.895 5.212 308 1HG GLU 40 HG2 GLU 40 10.366 -5.378 6.365 309 2HG GLU 40 HG1 GLU 40 11.374 -6.702 5.787 310 H ALA 41 HN ALA 41 11.455 -3.085 2.040 311 HA ALA 41 HA ALA 41 11.168 -0.523 3.266 312 1HB ALA 41 HB1 ALA 41 11.711 -1.320 0.416 313 2HB ALA 41 HB2 ALA 41 12.913 -0.941 1.649 314 3HB ALA 41 HB3 ALA 41 11.830 0.312 1.054 315 H ALA 42 HN ALA 42 9.829 -1.635 0.192 316 HA ALA 42 HA ALA 42 7.813 0.277 0.044 317 1HB ALA 42 HB1 ALA 42 8.367 -0.679 -1.978 318 2HB ALA 42 HB2 ALA 42 6.817 -1.445 -1.623 319 3HB ALA 42 HB3 ALA 42 8.322 -2.322 -1.336 320 H GLY 43 HN GLY 43 7.871 -2.907 1.527 321 1HA GLY 43 HA2 GLY 43 5.079 -3.207 1.875 322 2HA GLY 43 HA1 GLY 43 6.324 -3.994 2.838 323 H LYS 44 HN LYS 44 7.460 -1.275 3.466 324 HA LYS 44 HA LYS 44 6.019 -0.867 5.900 325 1HB LYS 44 HB2 LYS 44 8.564 -0.221 4.912 326 2HB LYS 44 HB1 LYS 44 7.783 1.322 5.225 327 1HG LYS 44 HG2 LYS 44 8.318 1.100 7.358 328 2HG LYS 44 HG1 LYS 44 7.215 -0.274 7.452 329 1HD LYS 44 HD2 LYS 44 9.806 -0.932 6.272 330 2HD LYS 44 HD1 LYS 44 9.914 -0.356 7.933 331 1HE LYS 44 HE2 LYS 44 7.799 -2.336 7.367 332 2HE LYS 44 HE1 LYS 44 9.461 -2.920 7.283 333 1HZ LYS 44 HZ1 LYS 44 8.067 -2.829 9.532 334 2HZ LYS 44 HZ2 LYS 44 8.782 -1.297 9.598 335 3HZ LYS 44 HZ3 LYS 44 9.752 -2.678 9.489 336 H ILE 45 HN ILE 45 6.663 1.305 3.144 337 HA ILE 45 HA ILE 45 4.868 3.314 3.928 338 HB ILE 45 HB ILE 45 5.689 2.641 1.102 339 1HG1 ILE 45 HG12 ILE 45 7.007 4.674 2.904 340 2HG1 ILE 45 HG11 ILE 45 7.573 3.006 2.806 341 1HG2 ILE 45 HG21 ILE 45 4.306 4.290 0.565 342 2HG2 ILE 45 HG22 ILE 45 5.410 5.388 1.387 343 3HG2 ILE 45 HG23 ILE 45 4.034 4.708 2.253 344 1HD1 ILE 45 HD11 ILE 45 7.223 4.221 0.200 345 2HD1 ILE 45 HD12 ILE 45 8.611 3.379 0.887 346 3HD1 ILE 45 HD13 ILE 45 8.364 5.096 1.219 347 H THR 46 HN THR 46 4.435 0.446 1.913 348 HA THR 46 HA THR 46 1.919 1.009 0.870 349 HB THR 46 HB THR 46 3.048 -1.683 1.682 350 HG1 THR 46 HG1 THR 46 3.185 -0.207 -0.730 351 1HG2 THR 46 HG21 THR 46 1.333 -1.655 -0.643 352 2HG2 THR 46 HG22 THR 46 0.478 -1.170 0.821 353 3HG2 THR 46 HG23 THR 46 1.319 -2.719 0.765 354 H GLY 47 HN GLY 47 2.828 -0.497 3.957 355 1HA GLY 47 HA2 GLY 47 0.226 -1.108 4.830 356 2HA GLY 47 HA1 GLY 47 1.622 -0.860 5.871 357 H MET 48 HN MET 48 2.013 1.881 4.769 358 HA MET 48 HA MET 48 0.279 3.232 6.623 359 1HB MET 48 HB2 MET 48 2.522 4.079 4.818 360 2HB MET 48 HB1 MET 48 1.476 5.291 5.548 361 1HG MET 48 HG2 MET 48 2.754 5.223 7.348 362 2HG MET 48 HG1 MET 48 2.187 3.580 7.633 363 1HE MET 48 HE1 MET 48 6.173 5.138 6.828 364 2HE MET 48 HE2 MET 48 5.675 4.543 8.411 365 3HE MET 48 HE3 MET 48 4.712 5.770 7.587 366 H ILE 49 HN ILE 49 0.764 3.280 3.089 367 HA ILE 49 HA ILE 49 -1.507 4.980 2.665 368 HB ILE 49 HB ILE 49 -0.127 3.298 0.577 369 1HG1 ILE 49 HG12 ILE 49 0.626 6.146 0.972 370 2HG1 ILE 49 HG11 ILE 49 1.277 4.979 2.120 371 1HG2 ILE 49 HG21 ILE 49 -2.171 4.255 -0.209 372 2HG2 ILE 49 HG22 ILE 49 -0.840 5.179 -0.901 373 3HG2 ILE 49 HG23 ILE 49 -1.753 5.831 0.460 374 1HD1 ILE 49 HD11 ILE 49 2.355 3.763 0.389 375 2HD1 ILE 49 HD12 ILE 49 2.738 5.474 0.162 376 3HD1 ILE 49 HD13 ILE 49 1.528 4.696 -0.859 377 H LEU 50 HN LEU 50 -1.367 1.898 3.685 378 HA LEU 50 HA LEU 50 -3.289 0.615 1.997 379 1HB LEU 50 HB2 LEU 50 -1.533 -0.220 3.944 380 2HB LEU 50 HB1 LEU 50 -3.079 -0.369 4.752 381 HG LEU 50 HG LEU 50 -2.539 -2.485 3.786 382 1HD1 LEU 50 HD11 LEU 50 -4.890 -1.217 3.332 383 2HD1 LEU 50 HD12 LEU 50 -4.577 -2.910 2.973 384 3HD1 LEU 50 HD13 LEU 50 -4.437 -1.697 1.700 385 1HD2 LEU 50 HD21 LEU 50 -2.347 -1.188 1.079 386 2HD2 LEU 50 HD22 LEU 50 -1.954 -2.849 1.524 387 3HD2 LEU 50 HD23 LEU 50 -0.944 -1.522 2.095 388 H ASP 51 HN ASP 51 -3.727 3.252 3.761 389 HA ASP 51 HA ASP 51 -6.112 2.547 5.216 390 1HB ASP 51 HB2 ASP 51 -4.416 4.395 5.823 391 2HB ASP 51 HB1 ASP 51 -5.217 5.351 4.581 392 H LEU 52 HN LEU 52 -5.274 3.692 2.054 393 HA LEU 52 HA LEU 52 -7.788 4.838 1.381 394 1HB LEU 52 HB2 LEU 52 -5.483 3.799 -0.247 395 2HB LEU 52 HB1 LEU 52 -6.935 4.423 -1.003 396 HG LEU 52 HG LEU 52 -5.439 6.220 -1.046 397 1HD1 LEU 52 HD11 LEU 52 -6.979 6.696 1.497 398 2HD1 LEU 52 HD12 LEU 52 -7.686 6.778 -0.117 399 3HD1 LEU 52 HD13 LEU 52 -6.405 7.899 0.343 400 1HD2 LEU 52 HD21 LEU 52 -3.954 6.859 0.661 401 2HD2 LEU 52 HD22 LEU 52 -3.860 5.100 0.594 402 3HD2 LEU 52 HD23 LEU 52 -4.793 5.884 1.869 403 HA PRO 53 HA PRO 53 -10.400 1.245 1.156 404 1HB PRO 53 HB2 PRO 53 -11.427 2.674 -1.248 405 2HB PRO 53 HB1 PRO 53 -12.318 1.955 0.094 406 1HG PRO 53 HG2 PRO 53 -11.930 4.607 -0.097 407 2HG PRO 53 HG1 PRO 53 -11.992 3.774 1.464 408 1HD PRO 53 HD2 PRO 53 -9.688 4.959 0.052 409 2HD PRO 53 HD1 PRO 53 -9.899 4.613 1.779 410 HA PRO 54 HA PRO 54 -8.774 -1.592 -1.792 411 1HB PRO 54 HB2 PRO 54 -11.135 -2.640 -2.861 412 2HB PRO 54 HB1 PRO 54 -10.300 -3.225 -1.421 413 1HG PRO 54 HG2 PRO 54 -12.653 -1.408 -1.645 414 2HG PRO 54 HG1 PRO 54 -12.303 -2.653 -0.433 415 1HD PRO 54 HD2 PRO 54 -12.000 -0.048 0.113 416 2HD PRO 54 HD1 PRO 54 -10.880 -1.263 0.764 417 H GLN 55 HN GLN 55 -11.790 -0.613 -3.390 418 HA GLN 55 HA GLN 55 -10.421 -0.283 -5.899 419 1HB GLN 55 HB2 GLN 55 -13.283 0.055 -5.041 420 2HB GLN 55 HB1 GLN 55 -12.744 0.522 -6.650 421 1HG GLN 55 HG2 GLN 55 -12.290 -1.659 -7.276 422 2HG GLN 55 HG1 GLN 55 -12.172 -2.220 -5.609 423 1HE2 GLN 55 HE21 GLN 55 -14.354 -1.257 -8.161 424 2HE2 GLN 55 HE22 GLN 55 -15.766 -2.005 -7.504 425 H GLU 56 HN GLU 56 -11.729 1.872 -3.446 426 HA GLU 56 HA GLU 56 -11.565 4.240 -4.990 427 1HB GLU 56 HB2 GLU 56 -12.568 3.548 -2.497 428 2HB GLU 56 HB1 GLU 56 -11.287 4.697 -2.138 429 1HG GLU 56 HG2 GLU 56 -12.812 6.266 -2.520 430 2HG GLU 56 HG1 GLU 56 -12.592 5.893 -4.228 431 H VAL 57 HN VAL 57 -9.033 2.374 -3.894 432 HA VAL 57 HA VAL 57 -7.288 4.606 -3.231 433 HB VAL 57 HB VAL 57 -6.986 2.511 -1.999 434 1HG1 VAL 57 HG11 VAL 57 -7.664 0.963 -3.742 435 2HG1 VAL 57 HG12 VAL 57 -6.091 0.525 -3.088 436 3HG1 VAL 57 HG13 VAL 57 -6.206 1.326 -4.654 437 1HG2 VAL 57 HG21 VAL 57 -4.462 2.385 -3.391 438 2HG2 VAL 57 HG22 VAL 57 -4.823 2.975 -1.774 439 3HG2 VAL 57 HG23 VAL 57 -4.982 4.054 -3.158 440 H PHE 58 HN PHE 58 -7.973 2.462 -5.884 441 HA PHE 58 HA PHE 58 -5.835 2.591 -7.533 442 1HB PHE 58 HB2 PHE 58 -8.634 3.096 -8.542 443 2HB PHE 58 HB1 PHE 58 -7.294 2.420 -9.438 444 HD1 PHE 58 HD1 PHE 58 -9.732 1.036 -9.573 445 HD2 PHE 58 HD2 PHE 58 -6.780 0.837 -6.520 446 HE1 PHE 58 HE1 PHE 58 -10.506 -1.215 -8.989 447 HE2 PHE 58 HE2 PHE 58 -7.553 -1.427 -5.924 448 HZ PHE 58 HZ PHE 58 -9.421 -2.447 -7.169 449 HA PRO 59 HA PRO 59 -7.264 6.955 -9.321 450 1HB PRO 59 HB2 PRO 59 -8.492 7.990 -6.813 451 2HB PRO 59 HB1 PRO 59 -8.947 8.283 -8.495 452 1HG PRO 59 HG2 PRO 59 -10.391 6.649 -6.981 453 2HG PRO 59 HG1 PRO 59 -10.074 6.260 -8.682 454 1HD PRO 59 HD2 PRO 59 -8.826 5.128 -6.211 455 2HD PRO 59 HD1 PRO 59 -9.271 4.318 -7.725 456 H LEU 60 HN LEU 60 -6.614 6.797 -5.809 457 HA LEU 60 HA LEU 60 -4.867 9.012 -5.752 458 1HB LEU 60 HB2 LEU 60 -5.745 8.351 -3.679 459 2HB LEU 60 HB1 LEU 60 -5.313 6.673 -3.925 460 HG LEU 60 HG LEU 60 -2.885 8.125 -3.915 461 1HD1 LEU 60 HD11 LEU 60 -3.097 9.825 -2.557 462 2HD1 LEU 60 HD12 LEU 60 -3.687 8.749 -1.285 463 3HD1 LEU 60 HD13 LEU 60 -4.826 9.502 -2.399 464 1HD2 LEU 60 HD21 LEU 60 -3.458 6.808 -1.413 465 2HD2 LEU 60 HD22 LEU 60 -2.312 6.364 -2.679 466 3HD2 LEU 60 HD23 LEU 60 -3.988 5.824 -2.778 467 H LEU 61 HN LEU 61 -4.176 5.523 -5.790 468 HA LEU 61 HA LEU 61 -1.386 5.803 -5.946 469 1HB LEU 61 HB2 LEU 61 -1.433 3.410 -6.683 470 2HB LEU 61 HB1 LEU 61 -2.246 3.762 -5.174 471 HG LEU 61 HG LEU 61 -4.361 3.921 -6.775 472 1HD1 LEU 61 HD11 LEU 61 -3.728 1.674 -8.229 473 2HD1 LEU 61 HD12 LEU 61 -2.302 2.697 -8.409 474 3HD1 LEU 61 HD13 LEU 61 -3.891 3.313 -8.858 475 1HD2 LEU 61 HD21 LEU 61 -3.103 1.795 -5.211 476 2HD2 LEU 61 HD22 LEU 61 -4.284 1.230 -6.392 477 3HD2 LEU 61 HD23 LEU 61 -4.752 2.412 -5.177 478 H GLU 62 HN GLU 62 -3.542 6.706 -8.298 479 HA GLU 62 HA GLU 62 -1.757 5.897 -10.483 480 1HB GLU 62 HB2 GLU 62 -4.646 6.418 -10.272 481 2HB GLU 62 HB1 GLU 62 -3.887 7.108 -11.702 482 1HG GLU 62 HG2 GLU 62 -3.026 4.922 -12.320 483 2HG GLU 62 HG1 GLU 62 -3.737 4.219 -10.869 484 H SER 63 HN SER 63 -2.385 8.481 -8.452 485 HA SER 63 HA SER 63 -1.389 10.426 -10.422 486 1HB SER 63 HB2 SER 63 -3.032 10.812 -7.914 487 2HB SER 63 HB1 SER 63 -2.304 12.146 -8.810 488 HG SER 63 HG SER 63 -4.061 10.248 -9.970 489 H ASP 64 HN ASP 64 0.639 11.090 -10.181 490 HA ASP 64 HA ASP 64 2.339 10.173 -8.154 491 1HB ASP 64 HB2 ASP 64 2.624 12.440 -10.127 492 2HB ASP 64 HB1 ASP 64 3.916 11.964 -9.030 493 H GLU 65 HN GLU 65 0.891 13.392 -8.620 494 HA GLU 65 HA GLU 65 2.007 14.605 -6.369 495 1HB GLU 65 HB2 GLU 65 0.080 16.201 -6.540 496 2HB GLU 65 HB1 GLU 65 0.983 15.974 -8.029 497 1HG GLU 65 HG2 GLU 65 -0.733 14.534 -8.907 498 2HG GLU 65 HG1 GLU 65 -1.614 14.602 -7.383 499 H LEU 66 HN LEU 66 -1.148 12.978 -6.702 500 HA LEU 66 HA LEU 66 -1.977 13.347 -4.039 501 1HB LEU 66 HB2 LEU 66 -2.910 11.978 -6.364 502 2HB LEU 66 HB1 LEU 66 -2.991 10.867 -5.009 503 HG LEU 66 HG LEU 66 -5.094 12.135 -5.399 504 1HD1 LEU 66 HD11 LEU 66 -3.861 12.872 -2.761 505 2HD1 LEU 66 HD12 LEU 66 -4.317 11.220 -3.173 506 3HD1 LEU 66 HD13 LEU 66 -5.545 12.486 -3.114 507 1HD2 LEU 66 HD21 LEU 66 -5.121 14.347 -5.650 508 2HD2 LEU 66 HD22 LEU 66 -3.358 14.313 -5.647 509 3HD2 LEU 66 HD23 LEU 66 -4.236 14.584 -4.143 510 H PHE 67 HN PHE 67 0.188 11.098 -5.518 511 HA PHE 67 HA PHE 67 0.293 9.240 -3.337 512 1HB PHE 67 HB2 PHE 67 0.968 8.959 -5.886 513 2HB PHE 67 HB1 PHE 67 2.535 9.501 -5.294 514 HD1 PHE 67 HD1 PHE 67 4.033 7.913 -4.538 515 HD2 PHE 67 HD2 PHE 67 -0.132 7.041 -4.487 516 HE1 PHE 67 HE1 PHE 67 4.525 5.620 -3.797 517 HE2 PHE 67 HE2 PHE 67 0.357 4.751 -3.748 518 HZ PHE 67 HZ PHE 67 2.678 4.036 -3.400 519 H GLU 68 HN GLU 68 2.518 11.708 -4.608 520 HA GLU 68 HA GLU 68 4.607 11.558 -2.894 521 1HB GLU 68 HB2 GLU 68 3.260 13.978 -4.073 522 2HB GLU 68 HB1 GLU 68 4.741 14.105 -3.131 523 1HG GLU 68 HG2 GLU 68 5.811 12.524 -4.722 524 2HG GLU 68 HG1 GLU 68 4.348 12.596 -5.702 525 H GLN 69 HN GLN 69 1.617 13.392 -2.239 526 HA GLN 69 HA GLN 69 2.330 14.424 0.245 527 1HB GLN 69 HB2 GLN 69 0.135 14.594 -1.340 528 2HB GLN 69 HB1 GLN 69 -0.487 13.589 -0.039 529 1HG GLN 69 HG2 GLN 69 -1.002 15.705 0.690 530 2HG GLN 69 HG1 GLN 69 0.527 15.394 1.512 531 1HE2 GLN 69 HE21 GLN 69 0.891 17.620 1.721 532 2HE2 GLN 69 HE22 GLN 69 1.401 18.585 0.383 533 H HIS 70 HN HIS 70 0.235 11.609 -0.293 534 HA HIS 70 HA HIS 70 0.278 10.754 2.388 535 1HB HIS 70 HB2 HIS 70 -0.613 9.607 -0.188 536 2HB HIS 70 HB1 HIS 70 -0.247 8.437 1.075 537 HD2 HIS 70 HD2 HIS 70 -3.161 10.508 -0.065 538 HE1 HIS 70 HE1 HIS 70 -3.887 9.685 4.038 539 HE2 HIS 70 HE2 HIS 70 -4.865 10.559 1.884 540 H TYR 71 HN TYR 71 2.115 9.583 -0.427 541 HA TYR 71 HA TYR 71 3.668 7.708 0.989 542 1HB TYR 71 HB2 TYR 71 3.696 7.324 -1.288 543 2HB TYR 71 HB1 TYR 71 3.831 9.031 -1.682 544 HD1 TYR 71 HD1 TYR 71 5.896 9.964 -2.228 545 HD2 TYR 71 HD2 TYR 71 5.765 6.157 -0.340 546 HE1 TYR 71 HE1 TYR 71 8.305 9.695 -2.627 547 HE2 TYR 71 HE2 TYR 71 8.176 5.875 -0.728 548 HH TYR 71 HH TYR 71 10.229 8.075 -1.245 549 H LYS 72 HN LYS 72 3.760 11.111 1.005 550 HA LYS 72 HA LYS 72 6.512 11.601 1.330 551 1HB LYS 72 HB2 LYS 72 4.742 13.346 0.927 552 2HB LYS 72 HB1 LYS 72 4.258 13.162 2.604 553 1HG LYS 72 HG2 LYS 72 6.599 13.793 3.246 554 2HG LYS 72 HG1 LYS 72 6.881 14.182 1.547 555 1HD LYS 72 HD2 LYS 72 5.725 16.103 1.675 556 2HD LYS 72 HD1 LYS 72 4.445 15.375 2.648 557 1HE LYS 72 HE2 LYS 72 6.877 15.570 4.171 558 2HE LYS 72 HE1 LYS 72 6.449 17.142 3.496 559 1HZ LYS 72 HZ1 LYS 72 5.470 16.288 5.774 560 2HZ LYS 72 HZ2 LYS 72 4.318 15.585 4.755 561 3HZ LYS 72 HZ3 LYS 72 4.561 17.259 4.728 562 H GLU 73 HN GLU 73 4.010 11.588 3.873 563 HA GLU 73 HA GLU 73 5.707 11.578 6.056 564 1HB GLU 73 HB2 GLU 73 2.962 11.406 5.662 565 2HB GLU 73 HB1 GLU 73 3.355 9.910 6.499 566 1HG GLU 73 HG2 GLU 73 3.890 10.961 8.424 567 2HG GLU 73 HG1 GLU 73 4.535 12.381 7.601 568 H ALA 74 HN ALA 74 4.523 8.852 4.153 569 HA ALA 74 HA ALA 74 5.677 6.845 5.812 570 1HB ALA 74 HB1 ALA 74 4.243 6.943 3.262 571 2HB ALA 74 HB2 ALA 74 4.150 5.769 4.576 572 3HB ALA 74 HB3 ALA 74 5.440 5.654 3.382 573 H SER 75 HN SER 75 6.791 8.764 3.109 574 HA SER 75 HA SER 75 8.987 7.245 2.314 575 1HB SER 75 HB2 SER 75 8.129 9.282 1.128 576 2HB SER 75 HB1 SER 75 8.860 10.273 2.391 577 HG SER 75 HG SER 75 10.196 10.003 0.511 578 H ALA 76 HN ALA 76 8.887 9.942 4.644 579 HA ALA 76 HA ALA 76 11.499 9.898 5.517 580 1HB ALA 76 HB1 ALA 76 10.799 11.063 7.428 581 2HB ALA 76 HB2 ALA 76 9.226 10.265 7.446 582 3HB ALA 76 HB3 ALA 76 9.593 11.463 6.205 583 H ALA 77 HN ALA 77 8.877 7.714 6.355 584 HA ALA 77 HA ALA 77 10.340 6.349 8.426 585 1HB ALA 77 HB1 ALA 77 8.434 5.189 8.806 586 2HB ALA 77 HB2 ALA 77 8.103 4.967 7.088 587 3HB ALA 77 HB3 ALA 77 7.722 6.502 7.868 588 H TYR 78 HN TYR 78 10.245 6.281 5.048 589 HA TYR 78 HA TYR 78 10.963 3.597 4.493 590 1HB TYR 78 HB2 TYR 78 10.080 5.417 2.892 591 2HB TYR 78 HB1 TYR 78 11.729 6.016 2.851 592 HD1 TYR 78 HD1 TYR 78 10.092 5.089 0.488 593 HD2 TYR 78 HD2 TYR 78 12.853 3.029 2.977 594 HE1 TYR 78 HE1 TYR 78 10.586 3.541 -1.361 595 HE2 TYR 78 HE2 TYR 78 13.367 1.483 1.155 596 HH TYR 78 HH TYR 78 11.583 0.932 -1.354 597 H GLU 79 HN GLU 79 12.814 6.599 4.772 598 HA GLU 79 HA GLU 79 15.354 5.407 4.442 599 1HB GLU 79 HB2 GLU 79 16.252 7.549 5.052 600 2HB GLU 79 HB1 GLU 79 14.828 7.811 4.056 601 1HG GLU 79 HG2 GLU 79 13.517 8.382 5.971 602 2HG GLU 79 HG1 GLU 79 14.838 7.958 7.059 603 H SER 80 HN SER 80 13.512 6.330 7.319 604 HA SER 80 HA SER 80 15.460 5.832 9.228 605 1HB SER 80 HB2 SER 80 13.237 6.952 9.605 606 2HB SER 80 HB1 SER 80 12.504 5.348 9.609 607 HG SER 80 HG SER 80 13.420 4.911 11.498 608 H PHE 81 HN PHE 81 12.914 3.630 8.058 609 HA PHE 81 HA PHE 81 13.831 1.422 9.577 610 1HB PHE 81 HB2 PHE 81 11.843 1.822 7.395 611 2HB PHE 81 HB1 PHE 81 12.374 0.181 7.747 612 HD1 PHE 81 HD1 PHE 81 9.874 2.418 8.382 613 HD2 PHE 81 HD2 PHE 81 12.492 -0.218 10.456 614 HE1 PHE 81 HE1 PHE 81 8.275 2.307 10.248 615 HE2 PHE 81 HE2 PHE 81 10.899 -0.332 12.327 616 HZ PHE 81 HZ PHE 81 8.788 0.930 12.225 617 H LYS 82 HN LYS 82 14.354 2.455 6.238 618 HA LYS 82 HA LYS 82 15.773 0.119 5.454 619 1HB LYS 82 HB2 LYS 82 15.389 2.840 4.287 620 2HB LYS 82 HB1 LYS 82 16.622 1.781 3.621 621 1HG LYS 82 HG2 LYS 82 13.674 1.208 3.816 622 2HG LYS 82 HG1 LYS 82 14.603 1.553 2.357 623 1HD LYS 82 HD2 LYS 82 14.725 -0.686 2.174 624 2HD LYS 82 HD1 LYS 82 16.003 -0.535 3.379 625 1HE LYS 82 HE2 LYS 82 13.906 -0.640 5.020 626 2HE LYS 82 HE1 LYS 82 13.225 -1.533 3.659 627 1HZ LYS 82 HZ1 LYS 82 14.248 -3.115 5.046 628 2HZ LYS 82 HZ2 LYS 82 15.653 -2.187 5.225 629 3HZ LYS 82 HZ3 LYS 82 15.304 -2.916 3.739 630 H LYS 83 HN LYS 83 16.684 3.071 7.060 631 HA LYS 83 HA LYS 83 19.509 2.710 6.563 632 1HB LYS 83 HB2 LYS 83 17.872 4.709 8.076 633 2HB LYS 83 HB1 LYS 83 19.607 4.616 8.342 634 1HG LYS 83 HG2 LYS 83 19.675 4.743 5.713 635 2HG LYS 83 HG1 LYS 83 18.101 5.506 5.944 636 1HD LYS 83 HD2 LYS 83 19.052 7.199 7.341 637 2HD LYS 83 HD1 LYS 83 20.610 6.371 7.371 638 1HE LYS 83 HE2 LYS 83 21.230 7.224 5.394 639 2HE LYS 83 HE1 LYS 83 19.640 6.964 4.678 640 1HZ LYS 83 HZ1 LYS 83 19.597 9.199 4.729 641 2HZ LYS 83 HZ2 LYS 83 20.720 9.321 5.988 642 3HZ LYS 83 HZ3 LYS 83 19.103 8.968 6.330 643 H GLU 84 HN GLU 84 17.223 1.977 9.103 644 HA GLU 84 HA GLU 84 19.275 1.365 11.037 645 1HB GLU 84 HB2 GLU 84 17.488 0.785 12.517 646 2HB GLU 84 HB1 GLU 84 17.014 2.241 11.652 647 1HG GLU 84 HG2 GLU 84 15.154 1.257 10.999 648 2HG GLU 84 HG1 GLU 84 16.090 0.019 10.162 649 H GLN 85 HN GLN 85 19.137 -0.080 8.406 650 HA GLN 85 HA GLN 85 18.330 -2.753 8.910 651 1HB GLN 85 HB2 GLN 85 19.625 -3.243 6.824 652 2HB GLN 85 HB1 GLN 85 18.420 -1.976 6.642 653 1HG GLN 85 HG2 GLN 85 19.993 -0.316 6.437 654 2HG GLN 85 HG1 GLN 85 21.226 -1.230 7.304 655 1HE2 GLN 85 HE21 GLN 85 22.035 -3.185 6.186 656 2HE2 GLN 85 HE22 GLN 85 22.238 -3.109 4.472 657 H GLU 86 HN GLU 86 19.444 -2.928 11.034 658 HA GLU 86 HA GLU 86 22.322 -3.189 10.991 659 1HB GLU 86 HB2 GLU 86 22.058 -3.844 13.363 660 2HB GLU 86 HB1 GLU 86 21.283 -2.310 12.991 661 1HG GLU 86 HG2 GLU 86 19.418 -3.081 13.881 662 2HG GLU 86 HG1 GLU 86 19.332 -4.282 12.594 663 H GLN 87 HN GLN 87 20.008 -5.092 9.773 664 HA GLN 87 HA GLN 87 20.985 -7.638 10.769 665 1HB GLN 87 HB2 GLN 87 18.556 -7.227 10.349 666 2HB GLN 87 HB1 GLN 87 18.919 -7.087 8.635 667 1HG GLN 87 HG2 GLN 87 19.915 -9.425 8.831 668 2HG GLN 87 HG1 GLN 87 19.095 -9.506 10.389 669 1HE2 GLN 87 HE21 GLN 87 16.734 -8.360 9.986 670 2HE2 GLN 87 HE22 GLN 87 15.826 -9.193 8.775 671 H GLN 88 HN GLN 88 20.441 -6.301 7.505 672 HA GLN 88 HA GLN 88 22.417 -8.088 6.387 673 1HB GLN 88 HB2 GLN 88 21.823 -6.989 4.239 674 2HB GLN 88 HB1 GLN 88 20.434 -7.655 5.087 675 1HG GLN 88 HG2 GLN 88 20.907 -4.898 5.815 676 2HG GLN 88 HG1 GLN 88 20.698 -5.093 4.075 677 1HE2 GLN 88 HE21 GLN 88 18.841 -6.739 3.591 678 2HE2 GLN 88 HE22 GLN 88 17.363 -6.416 4.426 679 H THR 89 HN THR 89 24.496 -7.652 6.071 680 HA THR 89 HA THR 89 25.455 -4.941 6.596 681 HB THR 89 HB THR 89 27.732 -6.262 6.385 682 HG1 THR 89 HG1 THR 89 26.683 -8.198 5.686 683 1HG2 THR 89 HG21 THR 89 27.509 -5.505 8.495 684 2HG2 THR 89 HG22 THR 89 27.188 -7.211 8.810 685 3HG2 THR 89 HG23 THR 89 25.847 -6.077 8.646 686 H GLU 90 HN GLU 90 25.107 -3.821 4.720 687 HA GLU 90 HA GLU 90 26.090 -4.930 2.204 688 1HB GLU 90 HB2 GLU 90 23.847 -3.789 2.385 689 2HB GLU 90 HB1 GLU 90 24.710 -2.281 2.649 690 1HG GLU 90 HG2 GLU 90 24.349 -2.137 0.412 691 2HG GLU 90 HG1 GLU 90 25.908 -2.960 0.407 692 H GLN 91 HN GLN 91 27.974 -4.186 4.280 693 HA GLN 91 HA GLN 91 29.208 -1.725 3.371 694 1HB GLN 91 HB2 GLN 91 29.535 -3.567 5.655 695 2HB GLN 91 HB1 GLN 91 31.013 -2.804 5.090 696 1HG GLN 91 HG2 GLN 91 30.278 -1.341 6.708 697 2HG GLN 91 HG1 GLN 91 29.666 -0.611 5.225 698 1HE2 GLN 91 HE21 GLN 91 28.494 -3.293 7.233 699 2HE2 GLN 91 HE22 GLN 91 26.927 -2.626 7.511 700 H ALA 92 HN ALA 92 29.772 -2.243 1.235 701 HA ALA 92 HA ALA 92 31.478 -4.507 0.689 702 1HB ALA 92 HB1 ALA 92 30.231 -4.163 -1.171 703 2HB ALA 92 HB2 ALA 92 31.588 -3.120 -1.595 704 3HB ALA 92 HB3 ALA 92 30.119 -2.423 -0.910 Start of MODEL 26 1 1H GLY 1 HT1 GLY 1 -36.591 -5.525 -11.651 2 2H GLY 1 HT2 GLY 1 -36.223 -3.972 -11.092 3 3H GLY 1 HT3 GLY 1 -35.097 -4.823 -12.026 4 1HA GLY 1 HA1 GLY 1 -37.543 -4.646 -13.430 5 2HA GLY 1 HA2 GLY 1 -37.040 -3.047 -12.907 6 HA PRO 2 HA PRO 2 -33.944 -4.890 -16.176 7 1HB PRO 2 HB2 PRO 2 -35.267 -5.863 -18.323 8 2HB PRO 2 HB1 PRO 2 -34.795 -6.883 -16.958 9 1HG PRO 2 HG2 PRO 2 -37.452 -5.647 -17.570 10 2HG PRO 2 HG1 PRO 2 -37.085 -7.284 -16.993 11 1HD PRO 2 HD2 PRO 2 -37.939 -5.298 -15.349 12 2HD PRO 2 HD1 PRO 2 -36.860 -6.598 -14.807 13 H LEU 3 HN LEU 3 -37.128 -3.678 -17.230 14 HA LEU 3 HA LEU 3 -35.934 -1.969 -19.219 15 1HB LEU 3 HB2 LEU 3 -38.190 -1.256 -19.713 16 2HB LEU 3 HB1 LEU 3 -38.124 -3.003 -19.594 17 HG LEU 3 HG LEU 3 -38.831 -1.853 -17.041 18 1HD1 LEU 3 HD11 LEU 3 -39.686 -0.112 -18.770 19 2HD1 LEU 3 HD12 LEU 3 -40.760 -0.677 -17.492 20 3HD1 LEU 3 HD13 LEU 3 -40.908 -1.334 -19.121 21 1HD2 LEU 3 HD21 LEU 3 -40.513 -3.546 -18.866 22 2HD2 LEU 3 HD22 LEU 3 -40.546 -3.468 -17.104 23 3HD2 LEU 3 HD23 LEU 3 -39.170 -4.200 -17.929 24 H GLY 4 HN GLY 4 -35.037 -0.076 -18.790 25 1HA GLY 4 HA2 GLY 4 -35.793 1.322 -16.316 26 2HA GLY 4 HA1 GLY 4 -34.303 1.567 -17.214 27 H SER 5 HN SER 5 -37.613 1.495 -18.450 28 HA SER 5 HA SER 5 -37.186 3.959 -19.868 29 1HB SER 5 HB2 SER 5 -39.310 1.881 -19.756 30 2HB SER 5 HB1 SER 5 -39.802 3.496 -20.265 31 HG SER 5 HG SER 5 -37.528 2.824 -21.518 32 HA PRO 6 HA PRO 6 -40.630 5.663 -16.975 33 1HB PRO 6 HB2 PRO 6 -41.481 4.111 -14.910 34 2HB PRO 6 HB1 PRO 6 -42.224 4.089 -16.512 35 1HG PRO 6 HG2 PRO 6 -40.269 2.183 -15.303 36 2HG PRO 6 HG1 PRO 6 -41.672 1.852 -16.332 37 1HD PRO 6 HD2 PRO 6 -39.112 1.874 -17.257 38 2HD PRO 6 HD1 PRO 6 -40.515 2.278 -18.263 39 H ARG 7 HN ARG 7 -38.844 3.385 -14.872 40 HA ARG 7 HA ARG 7 -38.084 5.636 -13.171 41 1HB ARG 7 HB2 ARG 7 -37.859 2.650 -12.783 42 2HB ARG 7 HB1 ARG 7 -37.256 3.834 -11.632 43 1HG ARG 7 HG2 ARG 7 -39.761 4.713 -11.828 44 2HG ARG 7 HG1 ARG 7 -40.032 3.019 -12.242 45 1HD ARG 7 HD2 ARG 7 -39.836 2.411 -10.115 46 2HD ARG 7 HD1 ARG 7 -38.275 3.212 -9.981 47 HE ARG 7 HE ARG 7 -39.361 5.152 -9.200 48 1HH1 ARG 7 HH11 ARG 7 -41.586 2.515 -9.768 49 2HH1 ARG 7 HH12 ARG 7 -42.840 3.206 -8.798 50 1HH2 ARG 7 HH21 ARG 7 -41.015 6.055 -7.931 51 2HH2 ARG 7 HH22 ARG 7 -42.519 5.213 -7.759 52 H ASN 8 HN ASN 8 -35.895 5.935 -12.486 53 HA ASN 8 HA ASN 8 -34.012 5.573 -14.634 54 1HB ASN 8 HB2 ASN 8 -34.330 7.542 -12.832 55 2HB ASN 8 HB1 ASN 8 -33.095 6.599 -12.002 56 1HD2 ASN 8 HD21 ASN 8 -33.162 9.266 -13.446 57 2HD2 ASN 8 HD22 ASN 8 -31.801 9.196 -14.507 58 H ALA 9 HN ALA 9 -33.671 3.337 -14.736 59 HA ALA 9 HA ALA 9 -32.715 1.924 -12.398 60 1HB ALA 9 HB1 ALA 9 -33.849 0.376 -13.569 61 2HB ALA 9 HB2 ALA 9 -32.324 0.188 -14.435 62 3HB ALA 9 HB3 ALA 9 -33.599 1.204 -15.106 63 H ASN 10 HN ASN 10 -30.658 1.716 -11.815 64 HA ASN 10 HA ASN 10 -28.577 2.720 -13.598 65 1HB ASN 10 HB2 ASN 10 -28.993 2.746 -10.779 66 2HB ASN 10 HB1 ASN 10 -27.513 1.845 -11.093 67 1HD2 ASN 10 HD21 ASN 10 -25.807 2.887 -12.200 68 2HD2 ASN 10 HD22 ASN 10 -25.679 4.608 -12.221 69 H ASP 11 HN ASP 11 -26.384 1.468 -13.255 70 HA ASP 11 HA ASP 11 -26.866 -1.216 -14.229 71 1HB ASP 11 HB2 ASP 11 -24.275 0.306 -13.866 72 2HB ASP 11 HB1 ASP 11 -24.451 -1.235 -14.701 73 H ASN 12 HN ASN 12 -25.404 -2.997 -13.429 74 HA ASN 12 HA ASN 12 -25.440 -2.983 -10.496 75 1HB ASN 12 HB2 ASN 12 -25.737 -5.088 -12.579 76 2HB ASN 12 HB1 ASN 12 -24.985 -5.560 -11.058 77 1HD2 ASN 12 HD21 ASN 12 -26.627 -6.821 -10.316 78 2HD2 ASN 12 HD22 ASN 12 -28.184 -6.209 -9.881 79 H ASN 13 HN ASN 13 -23.655 -3.663 -9.288 80 HA ASN 13 HA ASN 13 -21.105 -3.418 -10.720 81 1HB ASN 13 HB2 ASN 13 -21.943 -2.027 -8.555 82 2HB ASN 13 HB1 ASN 13 -21.110 -3.363 -7.763 83 1HD2 ASN 13 HD21 ASN 13 -20.662 -1.092 -10.447 84 2HD2 ASN 13 HD22 ASN 13 -18.986 -0.800 -10.147 85 H GLN 14 HN GLN 14 -20.138 -5.267 -11.186 86 HA GLN 14 HA GLN 14 -20.680 -7.641 -9.599 87 1HB GLN 14 HB2 GLN 14 -20.577 -7.592 -12.156 88 2HB GLN 14 HB1 GLN 14 -18.833 -7.458 -11.973 89 1HG GLN 14 HG2 GLN 14 -19.598 -9.762 -12.381 90 2HG GLN 14 HG1 GLN 14 -18.726 -9.576 -10.861 91 1HE2 GLN 14 HE21 GLN 14 -19.933 -9.565 -8.901 92 2HE2 GLN 14 HE22 GLN 14 -21.473 -10.344 -8.814 93 H PHE 15 HN PHE 15 -19.624 -7.007 -7.671 94 HA PHE 15 HA PHE 15 -16.787 -6.485 -7.720 95 1HB PHE 15 HB2 PHE 15 -17.137 -6.595 -5.152 96 2HB PHE 15 HB1 PHE 15 -17.817 -5.246 -6.051 97 HD1 PHE 15 HD1 PHE 15 -20.223 -5.128 -6.480 98 HD2 PHE 15 HD2 PHE 15 -18.536 -8.176 -4.040 99 HE1 PHE 15 HE1 PHE 15 -22.453 -5.613 -5.552 100 HE2 PHE 15 HE2 PHE 15 -20.763 -8.671 -3.111 101 HZ PHE 15 HZ PHE 15 -22.724 -7.388 -3.867 102 H TYR 16 HN TYR 16 -17.278 -8.914 -8.863 103 HA TYR 16 HA TYR 16 -16.694 -10.955 -6.859 104 1HB TYR 16 HB2 TYR 16 -18.416 -11.379 -8.621 105 2HB TYR 16 HB1 TYR 16 -17.147 -11.264 -9.836 106 HD1 TYR 16 HD1 TYR 16 -18.842 -13.408 -7.525 107 HD2 TYR 16 HD2 TYR 16 -15.233 -12.934 -9.724 108 HE1 TYR 16 HE1 TYR 16 -18.368 -15.807 -7.254 109 HE2 TYR 16 HE2 TYR 16 -14.747 -15.328 -9.461 110 HH TYR 16 HH TYR 16 -17.077 -17.553 -8.197 111 H GLN 17 HN GLN 17 -15.364 -9.612 -9.863 112 HA GLN 17 HA GLN 17 -12.956 -11.115 -9.792 113 1HB GLN 17 HB2 GLN 17 -14.012 -8.817 -11.347 114 2HB GLN 17 HB1 GLN 17 -12.263 -8.989 -11.292 115 1HG GLN 17 HG2 GLN 17 -13.901 -11.379 -11.956 116 2HG GLN 17 HG1 GLN 17 -13.702 -10.123 -13.177 117 1HE2 GLN 17 HE21 GLN 17 -12.399 -12.891 -11.858 118 2HE2 GLN 17 HE22 GLN 17 -10.811 -12.788 -12.530 119 H GLN 18 HN GLN 18 -12.056 -10.925 -7.747 120 HA GLN 18 HA GLN 18 -11.535 -8.400 -6.524 121 1HB GLN 18 HB2 GLN 18 -11.779 -10.755 -5.438 122 2HB GLN 18 HB1 GLN 18 -10.065 -10.913 -5.800 123 1HG GLN 18 HG2 GLN 18 -9.451 -9.368 -4.255 124 2HG GLN 18 HG1 GLN 18 -10.950 -8.454 -4.406 125 1HE2 GLN 18 HE21 GLN 18 -12.905 -9.528 -3.532 126 2HE2 GLN 18 HE22 GLN 18 -12.740 -10.448 -2.079 127 H LYS 19 HN LYS 19 -10.012 -10.076 -9.033 128 HA LYS 19 HA LYS 19 -7.312 -9.508 -8.565 129 1HB LYS 19 HB2 LYS 19 -8.104 -11.055 -10.313 130 2HB LYS 19 HB1 LYS 19 -8.743 -9.689 -11.219 131 1HG LYS 19 HG2 LYS 19 -6.790 -9.742 -12.293 132 2HG LYS 19 HG1 LYS 19 -6.148 -8.942 -10.856 133 1HD LYS 19 HD2 LYS 19 -6.301 -11.847 -10.597 134 2HD LYS 19 HD1 LYS 19 -5.252 -11.319 -11.913 135 1HE LYS 19 HE2 LYS 19 -4.773 -9.692 -9.607 136 2HE LYS 19 HE1 LYS 19 -4.684 -11.392 -9.150 137 1HZ LYS 19 HZ1 LYS 19 -2.825 -11.702 -10.339 138 2HZ LYS 19 HZ2 LYS 19 -2.655 -10.025 -10.206 139 3HZ LYS 19 HZ3 LYS 19 -3.319 -10.698 -11.609 140 H GLN 20 HN GLN 20 -9.922 -7.498 -9.609 141 HA GLN 20 HA GLN 20 -8.410 -5.423 -10.807 142 1HB GLN 20 HB2 GLN 20 -11.186 -5.735 -9.795 143 2HB GLN 20 HB1 GLN 20 -10.582 -4.091 -9.950 144 1HG GLN 20 HG2 GLN 20 -10.677 -6.146 -12.150 145 2HG GLN 20 HG1 GLN 20 -11.799 -4.803 -11.937 146 1HE2 GLN 20 HE21 GLN 20 -10.494 -5.066 -14.291 147 2HE2 GLN 20 HE22 GLN 20 -9.305 -3.825 -14.461 148 H ARG 21 HN ARG 21 -9.733 -5.828 -7.542 149 HA ARG 21 HA ARG 21 -8.933 -3.451 -6.376 150 1HB ARG 21 HB2 ARG 21 -9.537 -6.182 -5.418 151 2HB ARG 21 HB1 ARG 21 -8.652 -5.146 -4.308 152 1HG ARG 21 HG2 ARG 21 -10.753 -4.591 -3.690 153 2HG ARG 21 HG1 ARG 21 -10.552 -3.427 -5.001 154 1HD ARG 21 HD2 ARG 21 -11.908 -4.622 -6.440 155 2HD ARG 21 HD1 ARG 21 -11.655 -6.139 -5.578 156 HE ARG 21 HE ARG 21 -13.278 -3.931 -4.484 157 1HH1 ARG 21 HH11 ARG 21 -12.829 -7.326 -5.192 158 2HH1 ARG 21 HH12 ARG 21 -14.229 -7.820 -4.307 159 1HH2 ARG 21 HH21 ARG 21 -15.123 -4.587 -3.323 160 2HH2 ARG 21 HH22 ARG 21 -15.532 -6.269 -3.246 161 H GLN 22 HN GLN 22 -7.182 -6.546 -6.034 162 HA GLN 22 HA GLN 22 -4.854 -5.385 -4.971 163 1HB GLN 22 HB2 GLN 22 -5.629 -8.049 -5.998 164 2HB GLN 22 HB1 GLN 22 -3.906 -7.699 -5.992 165 1HG GLN 22 HG2 GLN 22 -4.034 -8.528 -3.913 166 2HG GLN 22 HG1 GLN 22 -4.533 -6.884 -3.519 167 1HE2 GLN 22 HE21 GLN 22 -5.490 -8.046 -1.666 168 2HE2 GLN 22 HE22 GLN 22 -7.083 -8.689 -1.845 169 H ALA 23 HN ALA 23 -5.985 -5.587 -8.208 170 HA ALA 23 HA ALA 23 -3.548 -5.613 -9.614 171 1HB ALA 23 HB1 ALA 23 -6.318 -5.178 -10.228 172 2HB ALA 23 HB2 ALA 23 -5.014 -5.717 -11.284 173 3HB ALA 23 HB3 ALA 23 -5.323 -3.994 -11.073 174 H LEU 24 HN LEU 24 -5.641 -2.776 -9.226 175 HA LEU 24 HA LEU 24 -3.569 -0.927 -9.739 176 1HB LEU 24 HB2 LEU 24 -6.364 -0.801 -8.753 177 2HB LEU 24 HB1 LEU 24 -5.362 0.615 -8.523 178 HG LEU 24 HG LEU 24 -6.659 0.846 -10.549 179 1HD1 LEU 24 HD11 LEU 24 -4.964 1.835 -11.594 180 2HD1 LEU 24 HD12 LEU 24 -4.186 0.291 -11.938 181 3HD1 LEU 24 HD13 LEU 24 -3.892 1.102 -10.401 182 1HD2 LEU 24 HD21 LEU 24 -5.411 -1.788 -11.306 183 2HD2 LEU 24 HD22 LEU 24 -6.293 -0.748 -12.426 184 3HD2 LEU 24 HD23 LEU 24 -7.122 -1.450 -11.036 185 H GLY 25 HN GLY 25 -4.875 -2.341 -6.783 186 1HA GLY 25 HA2 GLY 25 -3.665 -0.598 -4.935 187 2HA GLY 25 HA1 GLY 25 -4.099 -2.274 -4.613 188 H GLU 26 HN GLU 26 -2.467 -3.436 -6.634 189 HA GLU 26 HA GLU 26 -0.046 -3.773 -5.264 190 1HB GLU 26 HB2 GLU 26 -1.158 -4.590 -7.874 191 2HB GLU 26 HB1 GLU 26 0.597 -4.501 -7.814 192 1HG GLU 26 HG2 GLU 26 -0.112 -5.846 -5.492 193 2HG GLU 26 HG1 GLU 26 -1.192 -6.486 -6.730 194 H GLN 27 HN GLN 27 -1.107 -1.465 -7.650 195 HA GLN 27 HA GLN 27 1.426 -0.578 -8.495 196 1HB GLN 27 HB2 GLN 27 -1.321 0.251 -8.853 197 2HB GLN 27 HB1 GLN 27 -0.261 1.639 -8.664 198 1HG GLN 27 HG2 GLN 27 1.186 0.665 -10.454 199 2HG GLN 27 HG1 GLN 27 -0.057 -0.560 -10.707 200 1HE2 GLN 27 HE21 GLN 27 0.567 2.904 -10.762 201 2HE2 GLN 27 HE22 GLN 27 -0.651 3.291 -11.924 202 H LEU 28 HN LEU 28 -0.495 0.095 -5.681 203 HA LEU 28 HA LEU 28 0.749 2.458 -4.802 204 1HB LEU 28 HB2 LEU 28 -1.305 0.998 -3.887 205 2HB LEU 28 HB1 LEU 28 -0.062 0.413 -2.799 206 HG LEU 28 HG LEU 28 0.357 2.717 -2.038 207 1HD1 LEU 28 HD11 LEU 28 -0.472 3.728 -4.229 208 2HD1 LEU 28 HD12 LEU 28 -0.905 4.558 -2.734 209 3HD1 LEU 28 HD13 LEU 28 -2.092 3.547 -3.556 210 1HD2 LEU 28 HD21 LEU 28 -2.126 1.238 -1.686 211 2HD2 LEU 28 HD22 LEU 28 -2.278 2.954 -1.315 212 3HD2 LEU 28 HD23 LEU 28 -1.065 1.977 -0.488 213 H TYR 29 HN TYR 29 1.519 -0.949 -4.256 214 HA TYR 29 HA TYR 29 3.743 -0.448 -2.549 215 1HB TYR 29 HB2 TYR 29 2.605 -2.559 -2.399 216 2HB TYR 29 HB1 TYR 29 2.908 -2.902 -4.098 217 HD1 TYR 29 HD1 TYR 29 4.942 -1.985 -1.081 218 HD2 TYR 29 HD2 TYR 29 4.519 -4.482 -4.501 219 HE1 TYR 29 HE1 TYR 29 7.025 -3.154 -0.478 220 HE2 TYR 29 HE2 TYR 29 6.591 -5.659 -3.906 221 HH TYR 29 HH TYR 29 8.065 -6.032 -2.181 222 H LYS 30 HN LYS 30 3.562 -1.429 -5.994 223 HA LYS 30 HA LYS 30 6.325 -1.489 -6.428 224 1HB LYS 30 HB2 LYS 30 5.825 -1.363 -8.799 225 2HB LYS 30 HB1 LYS 30 4.690 -2.443 -8.001 226 1HG LYS 30 HG2 LYS 30 3.072 -0.534 -7.936 227 2HG LYS 30 HG1 LYS 30 4.189 0.360 -8.965 228 1HD LYS 30 HD2 LYS 30 3.522 -2.356 -9.893 229 2HD LYS 30 HD1 LYS 30 2.178 -1.214 -9.898 230 1HE LYS 30 HE2 LYS 30 3.008 -0.781 -11.961 231 2HE LYS 30 HE1 LYS 30 4.005 0.338 -11.032 232 1HZ LYS 30 HZ1 LYS 30 4.950 -2.410 -11.454 233 2HZ LYS 30 HZ2 LYS 30 5.843 -0.991 -11.231 234 3HZ LYS 30 HZ3 LYS 30 5.090 -1.292 -12.716 235 H LYS 31 HN LYS 31 4.048 1.178 -6.504 236 HA LYS 31 HA LYS 31 5.696 3.093 -7.733 237 1HB LYS 31 HB2 LYS 31 3.145 3.127 -6.929 238 2HB LYS 31 HB1 LYS 31 3.858 3.983 -5.572 239 1HG LYS 31 HG2 LYS 31 3.835 5.843 -6.758 240 2HG LYS 31 HG1 LYS 31 4.944 5.109 -7.919 241 1HD LYS 31 HD2 LYS 31 1.982 4.616 -8.028 242 2HD LYS 31 HD1 LYS 31 2.717 6.020 -8.804 243 1HE LYS 31 HE2 LYS 31 4.162 3.608 -9.450 244 2HE LYS 31 HE1 LYS 31 2.453 3.445 -9.853 245 1HZ LYS 31 HZ1 LYS 31 3.685 5.950 -10.638 246 2HZ LYS 31 HZ2 LYS 31 2.606 4.961 -11.484 247 3HZ LYS 31 HZ3 LYS 31 4.253 4.581 -11.455 248 H VAL 32 HN VAL 32 5.585 1.823 -4.507 249 HA VAL 32 HA VAL 32 7.278 3.877 -3.382 250 HB VAL 32 HB VAL 32 6.625 1.177 -2.197 251 1HG1 VAL 32 HG11 VAL 32 7.025 2.556 -0.069 252 2HG1 VAL 32 HG12 VAL 32 7.821 3.712 -1.140 253 3HG1 VAL 32 HG13 VAL 32 8.426 2.061 -1.017 254 1HG2 VAL 32 HG21 VAL 32 4.991 3.575 -2.536 255 2HG2 VAL 32 HG22 VAL 32 5.083 3.007 -0.870 256 3HG2 VAL 32 HG23 VAL 32 4.515 1.925 -2.140 257 H SER 33 HN SER 33 7.625 0.452 -4.285 258 HA SER 33 HA SER 33 10.433 0.392 -3.730 259 1HB SER 33 HB2 SER 33 10.122 -1.799 -5.227 260 2HB SER 33 HB1 SER 33 9.589 -1.737 -3.547 261 HG SER 33 HG SER 33 7.725 -2.254 -4.359 262 H ALA 34 HN ALA 34 8.908 2.092 -5.983 263 HA ALA 34 HA ALA 34 10.022 1.435 -8.445 264 1HB ALA 34 HB1 ALA 34 9.628 4.297 -7.721 265 2HB ALA 34 HB2 ALA 34 8.231 3.219 -7.727 266 3HB ALA 34 HB3 ALA 34 9.186 3.432 -9.195 267 H LYS 35 HN LYS 35 11.491 2.751 -5.637 268 HA LYS 35 HA LYS 35 13.839 3.621 -7.170 269 1HB LYS 35 HB2 LYS 35 13.222 4.113 -4.254 270 2HB LYS 35 HB1 LYS 35 14.510 4.849 -5.199 271 1HG LYS 35 HG2 LYS 35 11.919 5.296 -6.403 272 2HG LYS 35 HG1 LYS 35 11.979 5.880 -4.740 273 1HD LYS 35 HD2 LYS 35 14.327 6.529 -6.389 274 2HD LYS 35 HD1 LYS 35 12.820 7.296 -6.892 275 1HE LYS 35 HE2 LYS 35 13.235 7.396 -4.010 276 2HE LYS 35 HE1 LYS 35 14.528 8.184 -4.911 277 1HZ LYS 35 HZ1 LYS 35 12.525 9.582 -4.263 278 2HZ LYS 35 HZ2 LYS 35 11.685 8.759 -5.480 279 3HZ LYS 35 HZ3 LYS 35 13.048 9.683 -5.870 280 H THR 36 HN THR 36 12.716 0.934 -5.581 281 HA THR 36 HA THR 36 15.125 -0.457 -5.686 282 HB THR 36 HB THR 36 15.859 0.939 -3.839 283 HG1 THR 36 HG1 THR 36 16.586 -0.681 -2.638 284 1HG2 THR 36 HG21 THR 36 13.362 1.161 -2.982 285 2HG2 THR 36 HG22 THR 36 14.754 1.365 -1.917 286 3HG2 THR 36 HG23 THR 36 13.881 -0.166 -1.945 287 H SER 37 HN SER 37 14.927 -2.675 -5.001 288 HA SER 37 HA SER 37 12.139 -3.527 -4.871 289 1HB SER 37 HB2 SER 37 13.796 -4.504 -6.527 290 2HB SER 37 HB1 SER 37 14.567 -5.302 -5.155 291 HG SER 37 HG SER 37 11.802 -5.568 -5.670 292 H ASN 38 HN ASN 38 13.160 -2.344 -2.553 293 HA ASN 38 HA ASN 38 13.844 -4.400 -0.647 294 1HB ASN 38 HB2 ASN 38 14.045 -1.594 -0.743 295 2HB ASN 38 HB1 ASN 38 12.943 -1.957 0.570 296 1HD2 ASN 38 HD21 ASN 38 15.280 -0.767 1.137 297 2HD2 ASN 38 HD22 ASN 38 16.344 -1.867 1.937 298 H GLU 39 HN GLU 39 12.218 -5.868 -0.371 299 HA GLU 39 HA GLU 39 9.481 -5.296 -0.471 300 1HB GLU 39 HB2 GLU 39 10.983 -7.573 -0.360 301 2HB GLU 39 HB1 GLU 39 10.226 -7.575 1.227 302 1HG GLU 39 HG2 GLU 39 8.097 -7.013 -0.347 303 2HG GLU 39 HG1 GLU 39 9.060 -8.016 -1.430 304 H GLU 40 HN GLU 40 11.730 -5.033 2.169 305 HA GLU 40 HA GLU 40 9.636 -4.863 4.162 306 1HB GLU 40 HB2 GLU 40 12.626 -4.720 4.223 307 2HB GLU 40 HB1 GLU 40 11.696 -4.172 5.610 308 1HG GLU 40 HG2 GLU 40 12.049 -6.339 6.200 309 2HG GLU 40 HG1 GLU 40 10.523 -6.507 5.333 310 H ALA 41 HN ALA 41 11.347 -2.696 2.116 311 HA ALA 41 HA ALA 41 10.924 -0.330 3.707 312 1HB ALA 41 HB1 ALA 41 12.393 -1.026 1.405 313 2HB ALA 41 HB2 ALA 41 12.481 0.442 2.363 314 3HB ALA 41 HB3 ALA 41 11.362 0.336 1.002 315 H ALA 42 HN ALA 42 9.808 -1.112 0.432 316 HA ALA 42 HA ALA 42 7.731 0.748 0.394 317 1HB ALA 42 HB1 ALA 42 6.837 -0.783 -1.479 318 2HB ALA 42 HB2 ALA 42 8.322 -1.699 -1.222 319 3HB ALA 42 HB3 ALA 42 8.403 -0.001 -1.692 320 H GLY 43 HN GLY 43 7.859 -2.536 1.602 321 1HA GLY 43 HA2 GLY 43 5.054 -2.927 1.816 322 2HA GLY 43 HA1 GLY 43 6.291 -3.792 2.727 323 H LYS 44 HN LYS 44 7.413 -1.216 3.676 324 HA LYS 44 HA LYS 44 5.896 -0.995 6.084 325 1HB LYS 44 HB2 LYS 44 8.491 -0.437 5.293 326 2HB LYS 44 HB1 LYS 44 7.800 1.159 5.540 327 1HG LYS 44 HG2 LYS 44 8.946 0.230 7.517 328 2HG LYS 44 HG1 LYS 44 7.264 0.651 7.815 329 1HD LYS 44 HD2 LYS 44 7.302 -1.400 8.802 330 2HD LYS 44 HD1 LYS 44 6.938 -1.912 7.155 331 1HE LYS 44 HE2 LYS 44 8.773 -3.156 7.166 332 2HE LYS 44 HE1 LYS 44 9.739 -1.690 7.321 333 1HZ LYS 44 HZ1 LYS 44 9.309 -3.733 9.218 334 2HZ LYS 44 HZ2 LYS 44 8.745 -2.270 9.846 335 3HZ LYS 44 HZ3 LYS 44 10.344 -2.399 9.313 336 H ILE 45 HN ILE 45 6.615 1.254 3.436 337 HA ILE 45 HA ILE 45 4.917 3.329 4.300 338 HB ILE 45 HB ILE 45 5.865 2.636 1.517 339 1HG1 ILE 45 HG12 ILE 45 6.926 4.740 3.418 340 2HG1 ILE 45 HG11 ILE 45 7.653 3.144 3.207 341 1HG2 ILE 45 HG21 ILE 45 3.962 4.585 2.388 342 2HG2 ILE 45 HG22 ILE 45 4.512 4.208 0.755 343 3HG2 ILE 45 HG23 ILE 45 5.387 5.389 1.727 344 1HD1 ILE 45 HD11 ILE 45 8.653 3.740 1.328 345 2HD1 ILE 45 HD12 ILE 45 8.296 5.397 1.813 346 3HD1 ILE 45 HD13 ILE 45 7.218 4.551 0.709 347 H THR 46 HN THR 46 4.432 0.562 2.177 348 HA THR 46 HA THR 46 1.922 1.217 1.155 349 HB THR 46 HB THR 46 3.064 -1.516 1.776 350 HG1 THR 46 HG1 THR 46 2.988 -0.200 -0.724 351 1HG2 THR 46 HG21 THR 46 0.798 -1.927 1.370 352 2HG2 THR 46 HG22 THR 46 1.598 -2.196 -0.180 353 3HG2 THR 46 HG23 THR 46 0.713 -0.698 0.107 354 H GLY 47 HN GLY 47 2.839 -0.362 4.192 355 1HA GLY 47 HA2 GLY 47 0.261 -1.126 5.007 356 2HA GLY 47 HA1 GLY 47 1.616 -0.806 6.084 357 H MET 48 HN MET 48 1.960 1.942 5.217 358 HA MET 48 HA MET 48 0.015 3.174 6.929 359 1HB MET 48 HB2 MET 48 2.030 4.506 5.108 360 2HB MET 48 HB1 MET 48 1.180 5.252 6.453 361 1HG MET 48 HG2 MET 48 2.319 3.500 7.915 362 2HG MET 48 HG1 MET 48 3.365 3.206 6.526 363 1HE MET 48 HE1 MET 48 6.108 5.213 7.891 364 2HE MET 48 HE2 MET 48 5.469 3.694 7.263 365 3HE MET 48 HE3 MET 48 5.208 4.130 8.951 366 H ILE 49 HN ILE 49 0.795 3.305 3.460 367 HA ILE 49 HA ILE 49 -1.460 4.924 2.790 368 HB ILE 49 HB ILE 49 0.065 3.186 0.852 369 1HG1 ILE 49 HG12 ILE 49 0.862 6.006 1.544 370 2HG1 ILE 49 HG11 ILE 49 1.548 4.632 2.403 371 1HG2 ILE 49 HG21 ILE 49 -0.463 4.989 -0.728 372 2HG2 ILE 49 HG22 ILE 49 -1.328 5.846 0.549 373 3HG2 ILE 49 HG23 ILE 49 -1.920 4.289 -0.025 374 1HD1 ILE 49 HD11 ILE 49 1.653 4.894 -0.582 375 2HD1 ILE 49 HD12 ILE 49 2.580 3.808 0.454 376 3HD1 ILE 49 HD13 ILE 49 2.895 5.543 0.487 377 H LEU 50 HN LEU 50 -1.488 1.935 3.989 378 HA LEU 50 HA LEU 50 -3.244 0.620 2.124 379 1HB LEU 50 HB2 LEU 50 -1.644 -0.192 4.264 380 2HB LEU 50 HB1 LEU 50 -3.285 -0.455 4.821 381 HG LEU 50 HG LEU 50 -2.450 -2.483 3.833 382 1HD1 LEU 50 HD11 LEU 50 -4.637 -2.599 3.340 383 2HD1 LEU 50 HD12 LEU 50 -4.069 -2.414 1.682 384 3HD1 LEU 50 HD13 LEU 50 -4.662 -1.012 2.571 385 1HD2 LEU 50 HD21 LEU 50 -1.202 -0.717 1.993 386 2HD2 LEU 50 HD22 LEU 50 -2.235 -1.814 1.081 387 3HD2 LEU 50 HD23 LEU 50 -0.997 -2.459 2.158 388 H ASP 51 HN ASP 51 -3.802 3.265 3.740 389 HA ASP 51 HA ASP 51 -6.238 2.619 5.137 390 1HB ASP 51 HB2 ASP 51 -4.410 4.722 5.230 391 2HB ASP 51 HB1 ASP 51 -5.847 5.438 4.506 392 H LEU 52 HN LEU 52 -5.236 3.719 1.990 393 HA LEU 52 HA LEU 52 -7.732 4.726 1.108 394 1HB LEU 52 HB2 LEU 52 -5.357 3.639 -0.395 395 2HB LEU 52 HB1 LEU 52 -6.772 4.298 -1.189 396 HG LEU 52 HG LEU 52 -5.170 6.021 -1.189 397 1HD1 LEU 52 HD11 LEU 52 -6.526 7.034 1.195 398 2HD1 LEU 52 HD12 LEU 52 -7.604 6.351 -0.023 399 3HD1 LEU 52 HD13 LEU 52 -6.500 7.659 -0.455 400 1HD2 LEU 52 HD21 LEU 52 -4.775 6.130 1.734 401 2HD2 LEU 52 HD22 LEU 52 -3.641 6.448 0.421 402 3HD2 LEU 52 HD23 LEU 52 -4.006 4.789 0.888 403 HA PRO 53 HA PRO 53 -10.018 0.875 1.025 404 1HB PRO 53 HB2 PRO 53 -11.448 2.366 -1.122 405 2HB PRO 53 HB1 PRO 53 -12.099 1.476 0.257 406 1HG PRO 53 HG2 PRO 53 -11.983 4.160 0.235 407 2HG PRO 53 HG1 PRO 53 -11.764 3.220 1.720 408 1HD PRO 53 HD2 PRO 53 -9.769 4.702 0.117 409 2HD PRO 53 HD1 PRO 53 -9.747 4.273 1.837 410 HA PRO 54 HA PRO 54 -8.673 -1.518 -2.387 411 1HB PRO 54 HB2 PRO 54 -11.431 -2.066 -3.287 412 2HB PRO 54 HB1 PRO 54 -10.169 -3.181 -2.761 413 1HG PRO 54 HG2 PRO 54 -12.307 -2.606 -1.228 414 2HG PRO 54 HG1 PRO 54 -10.716 -2.978 -0.544 415 1HD PRO 54 HD2 PRO 54 -12.104 -0.365 -0.818 416 2HD PRO 54 HD1 PRO 54 -10.982 -0.926 0.436 417 H GLN 55 HN GLN 55 -11.692 -0.163 -3.695 418 HA GLN 55 HA GLN 55 -10.426 0.396 -6.213 419 1HB GLN 55 HB2 GLN 55 -12.623 1.326 -6.869 420 2HB GLN 55 HB1 GLN 55 -12.731 -0.309 -6.235 421 1HG GLN 55 HG2 GLN 55 -13.072 1.458 -4.059 422 2HG GLN 55 HG1 GLN 55 -14.080 2.044 -5.380 423 1HE2 GLN 55 HE21 GLN 55 -13.180 -1.080 -3.942 424 2HE2 GLN 55 HE22 GLN 55 -14.783 -1.715 -3.906 425 H GLU 56 HN GLU 56 -11.359 2.220 -3.382 426 HA GLU 56 HA GLU 56 -11.137 4.799 -4.502 427 1HB GLU 56 HB2 GLU 56 -12.125 3.891 -2.195 428 2HB GLU 56 HB1 GLU 56 -10.552 4.427 -1.620 429 1HG GLU 56 HG2 GLU 56 -10.961 6.656 -2.373 430 2HG GLU 56 HG1 GLU 56 -12.447 6.160 -3.181 431 H VAL 57 HN VAL 57 -8.706 2.557 -3.607 432 HA VAL 57 HA VAL 57 -6.698 4.590 -3.104 433 HB VAL 57 HB VAL 57 -6.554 2.458 -1.906 434 1HG1 VAL 57 HG11 VAL 57 -5.651 0.983 -4.307 435 2HG1 VAL 57 HG12 VAL 57 -7.378 1.231 -4.093 436 3HG1 VAL 57 HG13 VAL 57 -6.449 0.401 -2.849 437 1HG2 VAL 57 HG21 VAL 57 -4.266 2.308 -1.936 438 2HG2 VAL 57 HG22 VAL 57 -4.497 3.860 -2.741 439 3HG2 VAL 57 HG23 VAL 57 -4.168 2.413 -3.691 440 H PHE 58 HN PHE 58 -7.835 2.622 -5.728 441 HA PHE 58 HA PHE 58 -5.808 2.579 -7.544 442 1HB PHE 58 HB2 PHE 58 -8.717 3.174 -8.069 443 2HB PHE 58 HB1 PHE 58 -7.550 2.822 -9.331 444 HD1 PHE 58 HD1 PHE 58 -9.357 1.102 -9.833 445 HD2 PHE 58 HD2 PHE 58 -6.847 0.945 -6.404 446 HE1 PHE 58 HE1 PHE 58 -9.836 -1.294 -9.602 447 HE2 PHE 58 HE2 PHE 58 -7.332 -1.459 -6.158 448 HZ PHE 58 HZ PHE 58 -8.826 -2.571 -7.773 449 HA PRO 59 HA PRO 59 -6.980 7.099 -9.064 450 1HB PRO 59 HB2 PRO 59 -8.038 8.190 -6.517 451 2HB PRO 59 HB1 PRO 59 -8.597 8.453 -8.172 452 1HG PRO 59 HG2 PRO 59 -9.972 6.910 -6.480 453 2HG PRO 59 HG1 PRO 59 -9.845 6.508 -8.203 454 1HD PRO 59 HD2 PRO 59 -8.409 5.318 -5.868 455 2HD PRO 59 HD1 PRO 59 -9.053 4.531 -7.317 456 H LEU 60 HN LEU 60 -6.070 6.543 -5.676 457 HA LEU 60 HA LEU 60 -4.196 8.716 -5.629 458 1HB LEU 60 HB2 LEU 60 -5.081 8.165 -3.533 459 2HB LEU 60 HB1 LEU 60 -4.820 6.448 -3.773 460 HG LEU 60 HG LEU 60 -2.279 7.711 -3.863 461 1HD1 LEU 60 HD11 LEU 60 -4.057 9.154 -2.203 462 2HD1 LEU 60 HD12 LEU 60 -2.326 9.377 -2.444 463 3HD1 LEU 60 HD13 LEU 60 -2.907 8.294 -1.182 464 1HD2 LEU 60 HD21 LEU 60 -1.772 6.239 -2.057 465 2HD2 LEU 60 HD22 LEU 60 -2.851 5.389 -3.161 466 3HD2 LEU 60 HD23 LEU 60 -3.476 6.056 -1.654 467 H LEU 61 HN LEU 61 -3.889 5.172 -5.758 468 HA LEU 61 HA LEU 61 -1.088 5.127 -5.895 469 1HB LEU 61 HB2 LEU 61 -1.401 2.815 -6.838 470 2HB LEU 61 HB1 LEU 61 -2.190 3.116 -5.305 471 HG LEU 61 HG LEU 61 -4.244 3.679 -6.885 472 1HD1 LEU 61 HD11 LEU 61 -4.321 2.107 -8.757 473 2HD1 LEU 61 HD12 LEU 61 -2.618 1.731 -8.489 474 3HD1 LEU 61 HD13 LEU 61 -3.096 3.359 -8.968 475 1HD2 LEU 61 HD21 LEU 61 -4.635 1.056 -6.785 476 2HD2 LEU 61 HD22 LEU 61 -4.727 2.084 -5.362 477 3HD2 LEU 61 HD23 LEU 61 -3.262 1.163 -5.686 478 H GLU 62 HN GLU 62 -3.293 6.194 -8.232 479 HA GLU 62 HA GLU 62 -1.475 5.558 -10.445 480 1HB GLU 62 HB2 GLU 62 -4.372 6.343 -10.313 481 2HB GLU 62 HB1 GLU 62 -3.462 6.512 -11.808 482 1HG GLU 62 HG2 GLU 62 -2.962 3.915 -10.850 483 2HG GLU 62 HG1 GLU 62 -4.695 4.191 -10.691 484 H SER 63 HN SER 63 -2.252 8.079 -8.332 485 HA SER 63 HA SER 63 -1.395 10.119 -10.267 486 1HB SER 63 HB2 SER 63 -3.141 10.167 -7.867 487 2HB SER 63 HB1 SER 63 -2.128 11.586 -8.137 488 HG SER 63 HG SER 63 -4.393 10.930 -9.355 489 H ASP 64 HN ASP 64 0.610 10.826 -10.172 490 HA ASP 64 HA ASP 64 2.494 9.944 -8.293 491 1HB ASP 64 HB2 ASP 64 2.689 11.072 -10.722 492 2HB ASP 64 HB1 ASP 64 3.035 12.487 -9.732 493 H GLU 65 HN GLU 65 1.019 13.162 -8.699 494 HA GLU 65 HA GLU 65 2.208 14.375 -6.476 495 1HB GLU 65 HB2 GLU 65 -0.162 14.927 -8.177 496 2HB GLU 65 HB1 GLU 65 -0.121 15.721 -6.609 497 1HG GLU 65 HG2 GLU 65 2.311 15.865 -8.301 498 2HG GLU 65 HG1 GLU 65 0.910 16.825 -8.771 499 H LEU 66 HN LEU 66 -0.981 12.826 -6.780 500 HA LEU 66 HA LEU 66 -1.792 13.147 -4.127 501 1HB LEU 66 HB2 LEU 66 -2.802 11.950 -6.434 502 2HB LEU 66 HB1 LEU 66 -2.688 10.636 -5.280 503 HG LEU 66 HG LEU 66 -4.904 11.748 -5.311 504 1HD1 LEU 66 HD11 LEU 66 -3.295 11.895 -2.774 505 2HD1 LEU 66 HD12 LEU 66 -4.284 10.553 -3.349 506 3HD1 LEU 66 HD13 LEU 66 -5.049 12.059 -2.842 507 1HD2 LEU 66 HD21 LEU 66 -3.441 14.103 -4.125 508 2HD2 LEU 66 HD22 LEU 66 -5.174 13.966 -4.416 509 3HD2 LEU 66 HD23 LEU 66 -4.055 14.030 -5.776 510 H PHE 67 HN PHE 67 0.410 10.918 -5.606 511 HA PHE 67 HA PHE 67 0.480 9.064 -3.416 512 1HB PHE 67 HB2 PHE 67 1.194 8.681 -5.902 513 2HB PHE 67 HB1 PHE 67 2.736 9.356 -5.376 514 HD1 PHE 67 HD1 PHE 67 4.345 7.896 -4.530 515 HD2 PHE 67 HD2 PHE 67 0.235 6.801 -4.382 516 HE1 PHE 67 HE1 PHE 67 4.964 5.694 -3.625 517 HE2 PHE 67 HE2 PHE 67 0.864 4.610 -3.480 518 HZ PHE 67 HZ PHE 67 3.197 4.048 -3.099 519 H GLU 68 HN GLU 68 2.706 11.560 -4.617 520 HA GLU 68 HA GLU 68 4.733 11.392 -2.808 521 1HB GLU 68 HB2 GLU 68 3.591 13.526 -4.466 522 2HB GLU 68 HB1 GLU 68 4.502 14.108 -3.080 523 1HG GLU 68 HG2 GLU 68 5.853 11.978 -4.539 524 2HG GLU 68 HG1 GLU 68 5.546 13.418 -5.511 525 H GLN 69 HN GLN 69 1.707 13.215 -2.330 526 HA GLN 69 HA GLN 69 2.313 14.313 0.166 527 1HB GLN 69 HB2 GLN 69 -0.367 13.467 -0.952 528 2HB GLN 69 HB1 GLN 69 -0.152 14.481 0.468 529 1HG GLN 69 HG2 GLN 69 1.274 15.920 -1.242 530 2HG GLN 69 HG1 GLN 69 0.210 15.125 -2.400 531 1HE2 GLN 69 HE21 GLN 69 -2.123 14.957 -1.002 532 2HE2 GLN 69 HE22 GLN 69 -2.731 16.541 -0.680 533 H HIS 70 HN HIS 70 0.252 11.485 -0.431 534 HA HIS 70 HA HIS 70 0.140 10.671 2.262 535 1HB HIS 70 HB2 HIS 70 -0.620 9.514 -0.342 536 2HB HIS 70 HB1 HIS 70 -0.266 8.326 0.909 537 HD2 HIS 70 HD2 HIS 70 -3.160 10.408 -0.275 538 HE1 HIS 70 HE1 HIS 70 -4.046 9.373 3.743 539 HE2 HIS 70 HE2 HIS 70 -4.912 10.432 1.626 540 H TYR 71 HN TYR 71 2.196 9.554 -0.412 541 HA TYR 71 HA TYR 71 3.672 7.717 1.184 542 1HB TYR 71 HB2 TYR 71 3.729 7.139 -1.041 543 2HB TYR 71 HB1 TYR 71 3.842 8.801 -1.584 544 HD1 TYR 71 HD1 TYR 71 5.878 9.638 -2.336 545 HD2 TYR 71 HD2 TYR 71 5.847 6.145 0.089 546 HE1 TYR 71 HE1 TYR 71 8.284 9.344 -2.736 547 HE2 TYR 71 HE2 TYR 71 8.260 5.847 -0.307 548 HH TYR 71 HH TYR 71 9.948 7.547 -2.703 549 H LYS 72 HN LYS 72 3.683 11.075 1.100 550 HA LYS 72 HA LYS 72 6.445 11.649 1.354 551 1HB LYS 72 HB2 LYS 72 4.050 13.136 1.328 552 2HB LYS 72 HB1 LYS 72 4.816 13.494 2.865 553 1HG LYS 72 HG2 LYS 72 6.811 13.586 0.847 554 2HG LYS 72 HG1 LYS 72 5.422 14.527 0.301 555 1HD LYS 72 HD2 LYS 72 5.445 15.673 2.538 556 2HD LYS 72 HD1 LYS 72 6.982 14.866 2.857 557 1HE LYS 72 HE2 LYS 72 6.464 16.648 0.481 558 2HE LYS 72 HE1 LYS 72 7.194 17.197 1.989 559 1HZ LYS 72 HZ1 LYS 72 8.446 14.861 0.851 560 2HZ LYS 72 HZ2 LYS 72 9.146 16.274 1.467 561 3HZ LYS 72 HZ3 LYS 72 8.562 16.242 -0.122 562 H GLU 73 HN GLU 73 3.946 11.763 3.912 563 HA GLU 73 HA GLU 73 5.673 11.855 6.080 564 1HB GLU 73 HB2 GLU 73 2.951 10.555 5.894 565 2HB GLU 73 HB1 GLU 73 3.794 10.876 7.402 566 1HG GLU 73 HG2 GLU 73 3.176 13.015 7.417 567 2HG GLU 73 HG1 GLU 73 3.568 13.228 5.712 568 H ALA 74 HN ALA 74 4.333 9.042 4.417 569 HA ALA 74 HA ALA 74 5.484 7.088 6.098 570 1HB ALA 74 HB1 ALA 74 5.206 6.193 3.373 571 2HB ALA 74 HB2 ALA 74 3.783 7.094 3.893 572 3HB ALA 74 HB3 ALA 74 4.327 5.690 4.814 573 H SER 75 HN SER 75 6.694 8.951 3.411 574 HA SER 75 HA SER 75 8.880 7.343 2.706 575 1HB SER 75 HB2 SER 75 7.903 9.944 2.018 576 2HB SER 75 HB1 SER 75 9.614 10.095 2.406 577 HG SER 75 HG SER 75 9.163 7.914 0.869 578 H ALA 76 HN ALA 76 8.686 10.130 4.913 579 HA ALA 76 HA ALA 76 11.266 10.268 5.811 580 1HB ALA 76 HB1 ALA 76 8.814 11.296 6.639 581 2HB ALA 76 HB2 ALA 76 10.406 11.730 7.258 582 3HB ALA 76 HB3 ALA 76 9.460 10.478 8.061 583 H ALA 77 HN ALA 77 8.779 7.964 6.723 584 HA ALA 77 HA ALA 77 10.416 6.630 8.697 585 1HB ALA 77 HB1 ALA 77 7.754 6.715 8.322 586 2HB ALA 77 HB2 ALA 77 8.567 5.416 9.196 587 3HB ALA 77 HB3 ALA 77 8.122 5.196 7.503 588 H TYR 78 HN TYR 78 9.520 6.240 5.351 589 HA TYR 78 HA TYR 78 10.366 3.760 4.625 590 1HB TYR 78 HB2 TYR 78 9.433 5.515 3.114 591 2HB TYR 78 HB1 TYR 78 10.989 6.317 3.127 592 HD1 TYR 78 HD1 TYR 78 10.011 5.846 0.578 593 HD2 TYR 78 HD2 TYR 78 11.940 3.045 3.126 594 HE1 TYR 78 HE1 TYR 78 10.725 4.552 -1.392 595 HE2 TYR 78 HE2 TYR 78 12.662 1.755 1.180 596 HH TYR 78 HH TYR 78 11.889 2.792 -2.130 597 H GLU 79 HN GLU 79 12.448 6.642 4.728 598 HA GLU 79 HA GLU 79 14.850 5.317 4.224 599 1HB GLU 79 HB2 GLU 79 14.071 7.962 5.317 600 2HB GLU 79 HB1 GLU 79 15.722 7.434 5.616 601 1HG GLU 79 HG2 GLU 79 15.916 7.026 3.137 602 2HG GLU 79 HG1 GLU 79 14.370 7.856 2.965 603 H SER 80 HN SER 80 13.351 6.215 7.302 604 HA SER 80 HA SER 80 15.372 5.313 8.987 605 1HB SER 80 HB2 SER 80 12.393 5.541 9.393 606 2HB SER 80 HB1 SER 80 13.484 5.034 10.683 607 HG SER 80 HG SER 80 14.485 7.007 10.604 608 H PHE 81 HN PHE 81 12.651 3.592 7.560 609 HA PHE 81 HA PHE 81 13.108 1.161 8.940 610 1HB PHE 81 HB2 PHE 81 11.389 2.024 6.670 611 2HB PHE 81 HB1 PHE 81 11.619 0.301 6.951 612 HD1 PHE 81 HD1 PHE 81 9.742 3.154 7.815 613 HD2 PHE 81 HD2 PHE 81 11.210 -0.522 9.375 614 HE1 PHE 81 HE1 PHE 81 8.013 3.213 9.568 615 HE2 PHE 81 HE2 PHE 81 9.486 -0.474 11.131 616 HZ PHE 81 HZ PHE 81 7.884 1.396 11.229 617 H LYS 82 HN LYS 82 13.855 2.167 5.587 618 HA LYS 82 HA LYS 82 15.130 -0.336 5.035 619 1HB LYS 82 HB2 LYS 82 15.843 0.751 2.917 620 2HB LYS 82 HB1 LYS 82 14.114 0.804 3.204 621 1HG LYS 82 HG2 LYS 82 14.105 3.000 2.978 622 2HG LYS 82 HG1 LYS 82 15.292 3.168 4.278 623 1HD LYS 82 HD2 LYS 82 17.085 2.659 2.595 624 2HD LYS 82 HD1 LYS 82 15.848 2.729 1.341 625 1HE LYS 82 HE2 LYS 82 16.043 5.035 3.188 626 2HE LYS 82 HE1 LYS 82 17.343 4.828 2.022 627 1HZ LYS 82 HZ1 LYS 82 14.994 6.072 1.535 628 2HZ LYS 82 HZ2 LYS 82 14.720 4.537 0.880 629 3HZ LYS 82 HZ3 LYS 82 16.033 5.459 0.348 630 H LYS 83 HN LYS 83 16.132 2.505 6.613 631 HA LYS 83 HA LYS 83 18.951 2.119 6.011 632 1HB LYS 83 HB2 LYS 83 17.398 4.163 7.562 633 2HB LYS 83 HB1 LYS 83 19.132 4.013 7.796 634 1HG LYS 83 HG2 LYS 83 19.152 4.161 5.162 635 2HG LYS 83 HG1 LYS 83 17.616 4.985 5.437 636 1HD LYS 83 HD2 LYS 83 18.905 6.386 7.158 637 2HD LYS 83 HD1 LYS 83 20.359 5.751 6.386 638 1HE LYS 83 HE2 LYS 83 20.172 7.215 4.723 639 2HE LYS 83 HE1 LYS 83 18.524 6.683 4.387 640 1HZ LYS 83 HZ1 LYS 83 19.456 8.912 6.053 641 2HZ LYS 83 HZ2 LYS 83 18.000 8.153 6.457 642 3HZ LYS 83 HZ3 LYS 83 18.187 8.862 4.934 643 H GLU 84 HN GLU 84 16.658 1.497 8.581 644 HA GLU 84 HA GLU 84 18.605 0.882 10.570 645 1HB GLU 84 HB2 GLU 84 16.737 0.063 11.887 646 2HB GLU 84 HB1 GLU 84 16.327 1.598 11.136 647 1HG GLU 84 HG2 GLU 84 15.122 0.344 9.371 648 2HG GLU 84 HG1 GLU 84 15.421 -1.138 10.276 649 H GLN 85 HN GLN 85 18.081 -0.680 7.780 650 HA GLN 85 HA GLN 85 17.984 -3.397 8.737 651 1HB GLN 85 HB2 GLN 85 18.571 -2.320 5.972 652 2HB GLN 85 HB1 GLN 85 18.242 -4.000 6.371 653 1HG GLN 85 HG2 GLN 85 16.262 -1.841 6.985 654 2HG GLN 85 HG1 GLN 85 16.351 -2.579 5.387 655 1HE2 GLN 85 HE21 GLN 85 16.215 -4.978 5.352 656 2HE2 GLN 85 HE22 GLN 85 15.131 -5.736 6.464 657 H GLU 86 HN GLU 86 19.657 -4.750 9.065 658 HA GLU 86 HA GLU 86 22.336 -3.619 8.977 659 1HB GLU 86 HB2 GLU 86 22.958 -5.743 10.176 660 2HB GLU 86 HB1 GLU 86 21.806 -4.718 11.023 661 1HG GLU 86 HG2 GLU 86 20.040 -6.168 10.640 662 2HG GLU 86 HG1 GLU 86 20.857 -6.963 9.296 663 H GLN 87 HN GLN 87 20.370 -5.774 7.185 664 HA GLN 87 HA GLN 87 22.587 -7.143 5.920 665 1HB GLN 87 HB2 GLN 87 19.624 -7.333 5.845 666 2HB GLN 87 HB1 GLN 87 20.485 -7.836 4.396 667 1HG GLN 87 HG2 GLN 87 21.781 -8.968 6.663 668 2HG GLN 87 HG1 GLN 87 20.050 -9.292 6.774 669 1HE2 GLN 87 HE21 GLN 87 22.299 -9.055 4.051 670 2HE2 GLN 87 HE22 GLN 87 21.952 -10.618 3.399 671 H GLN 88 HN GLN 88 20.157 -4.709 5.060 672 HA GLN 88 HA GLN 88 21.207 -4.365 2.405 673 1HB GLN 88 HB2 GLN 88 18.907 -3.432 3.927 674 2HB GLN 88 HB1 GLN 88 19.627 -2.142 2.973 675 1HG GLN 88 HG2 GLN 88 19.117 -4.766 1.673 676 2HG GLN 88 HG1 GLN 88 17.757 -3.690 1.988 677 1HE2 GLN 88 HE21 GLN 88 20.498 -4.318 0.038 678 2HE2 GLN 88 HE22 GLN 88 20.330 -2.970 -1.028 679 H THR 89 HN THR 89 23.442 -3.985 3.166 680 HA THR 89 HA THR 89 23.868 -1.254 4.153 681 HB THR 89 HB THR 89 26.131 -2.009 4.753 682 HG1 THR 89 HG1 THR 89 26.837 -3.992 4.279 683 1HG2 THR 89 HG21 THR 89 24.744 -4.256 5.935 684 2HG2 THR 89 HG22 THR 89 23.822 -2.756 6.046 685 3HG2 THR 89 HG23 THR 89 25.461 -2.834 6.694 686 H GLU 90 HN GLU 90 26.702 -1.427 3.165 687 HA GLU 90 HA GLU 90 26.195 -0.291 0.566 688 1HB GLU 90 HB2 GLU 90 28.317 -0.209 2.540 689 2HB GLU 90 HB1 GLU 90 28.964 -0.472 0.927 690 1HG GLU 90 HG2 GLU 90 28.596 1.634 0.333 691 2HG GLU 90 HG1 GLU 90 26.947 1.605 0.955 692 H GLN 91 HN GLN 91 28.318 -0.906 -0.954 693 HA GLN 91 HA GLN 91 27.848 -3.730 -1.568 694 1HB GLN 91 HB2 GLN 91 27.771 -1.522 -3.182 695 2HB GLN 91 HB1 GLN 91 29.394 -2.127 -3.490 696 1HG GLN 91 HG2 GLN 91 28.654 -3.955 -4.573 697 2HG GLN 91 HG1 GLN 91 27.243 -4.137 -3.534 698 1HE2 GLN 91 HE21 GLN 91 26.716 -4.599 -6.029 699 2HE2 GLN 91 HE22 GLN 91 25.918 -3.278 -6.805 700 H ALA 92 HN ALA 92 29.281 -5.035 -0.621 701 HA ALA 92 HA ALA 92 31.978 -4.179 -0.068 702 1HB ALA 92 HB1 ALA 92 31.464 -7.024 0.261 703 2HB ALA 92 HB2 ALA 92 30.270 -6.013 1.076 704 3HB ALA 92 HB3 ALA 92 31.985 -5.822 1.442 Start of MODEL 27 1 1H GLY 1 HT1 GLY 1 -26.804 6.746 10.342 2 2H GLY 1 HT2 GLY 1 -26.566 5.872 8.914 3 3H GLY 1 HT3 GLY 1 -26.150 7.512 8.982 4 1HA GLY 1 HA1 GLY 1 -24.881 5.685 10.886 5 2HA GLY 1 HA2 GLY 1 -24.340 5.647 9.215 6 HA PRO 2 HA PRO 2 -22.323 9.103 11.921 7 1HB PRO 2 HB2 PRO 2 -19.922 7.557 11.080 8 2HB PRO 2 HB1 PRO 2 -20.268 8.347 12.624 9 1HG PRO 2 HG2 PRO 2 -20.417 5.698 12.389 10 2HG PRO 2 HG1 PRO 2 -21.588 6.594 13.375 11 1HD PRO 2 HD2 PRO 2 -21.918 5.397 10.660 12 2HD PRO 2 HD1 PRO 2 -23.083 5.511 11.994 13 H LEU 3 HN LEU 3 -21.174 7.452 8.986 14 HA LEU 3 HA LEU 3 -20.161 9.913 7.866 15 1HB LEU 3 HB2 LEU 3 -20.233 7.051 7.028 16 2HB LEU 3 HB1 LEU 3 -19.975 8.276 5.801 17 HG LEU 3 HG LEU 3 -18.256 7.983 8.263 18 1HD1 LEU 3 HD11 LEU 3 -16.955 6.486 7.223 19 2HD1 LEU 3 HD12 LEU 3 -17.123 7.279 5.658 20 3HD1 LEU 3 HD13 LEU 3 -18.375 6.176 6.225 21 1HD2 LEU 3 HD21 LEU 3 -16.849 9.578 7.327 22 2HD2 LEU 3 HD22 LEU 3 -18.456 10.210 6.968 23 3HD2 LEU 3 HD23 LEU 3 -17.536 9.381 5.714 24 H GLY 4 HN GLY 4 -21.433 11.351 6.911 25 1HA GLY 4 HA2 GLY 4 -24.095 10.625 6.040 26 2HA GLY 4 HA1 GLY 4 -23.396 12.236 6.034 27 H SER 5 HN SER 5 -23.675 9.219 4.274 28 HA SER 5 HA SER 5 -22.465 10.483 1.916 29 1HB SER 5 HB2 SER 5 -21.667 8.205 2.746 30 2HB SER 5 HB1 SER 5 -23.216 7.571 2.191 31 HG SER 5 HG SER 5 -21.322 8.948 0.585 32 HA PRO 6 HA PRO 6 -26.878 11.230 0.892 33 1HB PRO 6 HB2 PRO 6 -25.436 12.335 -1.480 34 2HB PRO 6 HB1 PRO 6 -26.766 13.030 -0.548 35 1HG PRO 6 HG2 PRO 6 -24.274 13.919 -0.240 36 2HG PRO 6 HG1 PRO 6 -25.371 13.772 1.144 37 1HD PRO 6 HD2 PRO 6 -23.066 12.058 0.361 38 2HD PRO 6 HD1 PRO 6 -23.682 12.464 1.974 39 H ARG 7 HN ARG 7 -24.466 10.329 -1.587 40 HA ARG 7 HA ARG 7 -26.438 8.692 -2.953 41 1HB ARG 7 HB2 ARG 7 -23.861 9.906 -3.615 42 2HB ARG 7 HB1 ARG 7 -24.024 8.264 -4.226 43 1HG ARG 7 HG2 ARG 7 -26.389 9.890 -4.700 44 2HG ARG 7 HG1 ARG 7 -24.932 10.547 -5.447 45 1HD ARG 7 HD2 ARG 7 -24.585 8.064 -6.214 46 2HD ARG 7 HD1 ARG 7 -26.320 7.952 -5.941 47 HE ARG 7 HE ARG 7 -26.656 9.587 -7.637 48 1HH1 ARG 7 HH11 ARG 7 -23.335 8.511 -7.371 49 2HH1 ARG 7 HH12 ARG 7 -22.913 9.043 -8.963 50 1HH2 ARG 7 HH21 ARG 7 -26.088 10.285 -9.721 51 2HH2 ARG 7 HH22 ARG 7 -24.469 10.053 -10.292 52 H ASN 8 HN ASN 8 -26.809 6.699 -2.235 53 HA ASN 8 HA ASN 8 -24.881 5.275 -0.648 54 1HB ASN 8 HB2 ASN 8 -27.696 4.868 -1.493 55 2HB ASN 8 HB1 ASN 8 -26.770 3.418 -1.118 56 1HD2 ASN 8 HD21 ASN 8 -28.148 6.343 0.119 57 2HD2 ASN 8 HD22 ASN 8 -27.961 5.967 1.795 58 H ALA 9 HN ALA 9 -24.215 3.050 -1.159 59 HA ALA 9 HA ALA 9 -23.167 2.923 -3.844 60 1HB ALA 9 HB1 ALA 9 -22.382 0.594 -2.758 61 2HB ALA 9 HB2 ALA 9 -22.681 1.527 -1.292 62 3HB ALA 9 HB3 ALA 9 -21.541 2.121 -2.498 63 H ASN 10 HN ASN 10 -23.488 1.208 -5.318 64 HA ASN 10 HA ASN 10 -26.162 0.045 -5.154 65 1HB ASN 10 HB2 ASN 10 -25.468 1.280 -7.204 66 2HB ASN 10 HB1 ASN 10 -24.229 0.061 -7.481 67 1HD2 ASN 10 HD21 ASN 10 -24.891 -2.091 -7.941 68 2HD2 ASN 10 HD22 ASN 10 -26.439 -2.400 -8.645 69 H ASP 11 HN ASP 11 -26.530 -2.188 -5.685 70 HA ASP 11 HA ASP 11 -24.462 -3.899 -4.564 71 1HB ASP 11 HB2 ASP 11 -27.349 -3.950 -4.700 72 2HB ASP 11 HB1 ASP 11 -26.679 -5.472 -5.279 73 H ASN 12 HN ASN 12 -22.961 -3.931 -6.275 74 HA ASN 12 HA ASN 12 -23.725 -4.762 -8.908 75 1HB ASN 12 HB2 ASN 12 -21.223 -4.017 -7.526 76 2HB ASN 12 HB1 ASN 12 -21.038 -5.170 -8.844 77 1HD2 ASN 12 HD21 ASN 12 -20.127 -2.426 -8.655 78 2HD2 ASN 12 HD22 ASN 12 -20.839 -1.585 -9.986 79 H ASN 13 HN ASN 13 -22.328 -6.678 -9.856 80 HA ASN 13 HA ASN 13 -22.469 -8.954 -7.994 81 1HB ASN 13 HB2 ASN 13 -24.306 -8.595 -9.949 82 2HB ASN 13 HB1 ASN 13 -23.089 -9.509 -10.833 83 1HD2 ASN 13 HD21 ASN 13 -23.838 -11.502 -10.976 84 2HD2 ASN 13 HD22 ASN 13 -24.425 -12.458 -9.663 85 H GLN 14 HN GLN 14 -20.257 -7.235 -9.105 86 HA GLN 14 HA GLN 14 -18.781 -8.975 -10.861 87 1HB GLN 14 HB2 GLN 14 -16.898 -7.288 -10.317 88 2HB GLN 14 HB1 GLN 14 -18.280 -6.737 -11.252 89 1HG GLN 14 HG2 GLN 14 -18.871 -5.253 -9.705 90 2HG GLN 14 HG1 GLN 14 -18.635 -6.399 -8.385 91 1HE2 GLN 14 HE21 GLN 14 -17.698 -4.774 -7.122 92 2HE2 GLN 14 HE22 GLN 14 -16.080 -4.235 -7.398 93 H PHE 15 HN PHE 15 -18.899 -10.856 -9.439 94 HA PHE 15 HA PHE 15 -17.305 -10.820 -7.020 95 1HB PHE 15 HB2 PHE 15 -18.925 -12.920 -8.439 96 2HB PHE 15 HB1 PHE 15 -17.826 -13.357 -7.137 97 HD1 PHE 15 HD1 PHE 15 -18.574 -13.316 -4.953 98 HD2 PHE 15 HD2 PHE 15 -20.660 -11.067 -7.903 99 HE1 PHE 15 HE1 PHE 15 -20.320 -12.780 -3.304 100 HE2 PHE 15 HE2 PHE 15 -22.408 -10.525 -6.259 101 HZ PHE 15 HZ PHE 15 -22.240 -11.382 -3.956 102 H TYR 16 HN TYR 16 -16.810 -11.391 -10.341 103 HA TYR 16 HA TYR 16 -14.463 -13.050 -9.929 104 1HB TYR 16 HB2 TYR 16 -14.315 -12.997 -12.439 105 2HB TYR 16 HB1 TYR 16 -15.774 -13.735 -11.786 106 HD1 TYR 16 HD1 TYR 16 -17.871 -12.320 -11.682 107 HD2 TYR 16 HD2 TYR 16 -14.453 -11.208 -13.944 108 HE1 TYR 16 HE1 TYR 16 -19.258 -10.788 -13.003 109 HE2 TYR 16 HE2 TYR 16 -15.827 -9.669 -15.279 110 HH TYR 16 HH TYR 16 -17.864 -8.839 -15.634 111 H GLN 17 HN GLN 17 -15.229 -9.770 -10.153 112 HA GLN 17 HA GLN 17 -12.704 -8.959 -11.303 113 1HB GLN 17 HB2 GLN 17 -14.892 -7.301 -10.035 114 2HB GLN 17 HB1 GLN 17 -13.535 -6.680 -10.966 115 1HG GLN 17 HG2 GLN 17 -14.662 -8.516 -12.670 116 2HG GLN 17 HG1 GLN 17 -16.059 -7.806 -11.868 117 1HE2 GLN 17 HE21 GLN 17 -15.849 -5.323 -11.674 118 2HE2 GLN 17 HE22 GLN 17 -15.386 -4.514 -13.129 119 H GLN 18 HN GLN 18 -12.526 -10.554 -8.945 120 HA GLN 18 HA GLN 18 -11.988 -8.955 -6.654 121 1HB GLN 18 HB2 GLN 18 -10.998 -11.004 -5.733 122 2HB GLN 18 HB1 GLN 18 -12.562 -11.331 -6.467 123 1HG GLN 18 HG2 GLN 18 -10.886 -11.794 -8.554 124 2HG GLN 18 HG1 GLN 18 -9.896 -12.304 -7.189 125 1HE2 GLN 18 HE21 GLN 18 -10.719 -14.086 -9.108 126 2HE2 GLN 18 HE22 GLN 18 -11.862 -15.186 -8.422 127 H LYS 19 HN LYS 19 -10.053 -10.285 -9.279 128 HA LYS 19 HA LYS 19 -7.534 -9.518 -8.197 129 1HB LYS 19 HB2 LYS 19 -8.522 -10.824 -10.594 130 2HB LYS 19 HB1 LYS 19 -7.229 -9.692 -10.965 131 1HG LYS 19 HG2 LYS 19 -6.877 -11.622 -8.722 132 2HG LYS 19 HG1 LYS 19 -6.692 -12.175 -10.388 133 1HD LYS 19 HD2 LYS 19 -5.123 -10.154 -10.661 134 2HD LYS 19 HD1 LYS 19 -5.100 -10.117 -8.896 135 1HE LYS 19 HE2 LYS 19 -4.365 -12.502 -10.594 136 2HE LYS 19 HE1 LYS 19 -3.214 -11.393 -9.847 137 1HZ LYS 19 HZ1 LYS 19 -5.179 -12.558 -8.056 138 2HZ LYS 19 HZ2 LYS 19 -3.522 -12.300 -7.827 139 3HZ LYS 19 HZ3 LYS 19 -4.054 -13.646 -8.701 140 H GLN 20 HN GLN 20 -10.046 -7.824 -9.760 141 HA GLN 20 HA GLN 20 -8.564 -5.805 -11.064 142 1HB GLN 20 HB2 GLN 20 -11.320 -6.398 -10.531 143 2HB GLN 20 HB1 GLN 20 -11.015 -4.709 -10.153 144 1HG GLN 20 HG2 GLN 20 -9.773 -4.861 -12.520 145 2HG GLN 20 HG1 GLN 20 -10.997 -6.110 -12.745 146 1HE2 GLN 20 HE21 GLN 20 -10.871 -3.726 -14.214 147 2HE2 GLN 20 HE22 GLN 20 -12.281 -2.793 -13.858 148 H ARG 21 HN ARG 21 -9.798 -6.166 -7.790 149 HA ARG 21 HA ARG 21 -9.192 -3.550 -6.899 150 1HB ARG 21 HB2 ARG 21 -9.705 -6.148 -5.497 151 2HB ARG 21 HB1 ARG 21 -9.298 -4.689 -4.605 152 1HG ARG 21 HG2 ARG 21 -11.235 -3.599 -5.885 153 2HG ARG 21 HG1 ARG 21 -11.723 -5.245 -6.277 154 1HD ARG 21 HD2 ARG 21 -11.371 -4.115 -3.508 155 2HD ARG 21 HD1 ARG 21 -12.905 -4.397 -4.314 156 HE ARG 21 HE ARG 21 -12.577 -6.725 -4.063 157 1HH1 ARG 21 HH11 ARG 21 -9.993 -4.868 -2.634 158 2HH1 ARG 21 HH12 ARG 21 -9.507 -6.125 -1.556 159 1HH2 ARG 21 HH21 ARG 21 -11.913 -8.407 -2.649 160 2HH2 ARG 21 HH22 ARG 21 -10.587 -8.134 -1.568 161 H GLN 22 HN GLN 22 -7.484 -6.643 -6.503 162 HA GLN 22 HA GLN 22 -5.231 -5.478 -5.206 163 1HB GLN 22 HB2 GLN 22 -6.118 -7.968 -5.282 164 2HB GLN 22 HB1 GLN 22 -5.025 -8.083 -6.654 165 1HG GLN 22 HG2 GLN 22 -3.446 -8.567 -5.173 166 2HG GLN 22 HG1 GLN 22 -3.486 -6.860 -4.731 167 1HE2 GLN 22 HE21 GLN 22 -4.766 -6.228 -2.928 168 2HE2 GLN 22 HE22 GLN 22 -5.130 -7.354 -1.670 169 H ALA 23 HN ALA 23 -6.253 -5.314 -8.374 170 HA ALA 23 HA ALA 23 -3.716 -5.526 -9.694 171 1HB ALA 23 HB1 ALA 23 -5.098 -4.196 -11.505 172 2HB ALA 23 HB2 ALA 23 -6.454 -4.704 -10.501 173 3HB ALA 23 HB3 ALA 23 -5.378 -5.910 -11.207 174 H LEU 24 HN LEU 24 -5.850 -2.659 -9.370 175 HA LEU 24 HA LEU 24 -3.735 -0.856 -9.887 176 1HB LEU 24 HB2 LEU 24 -6.554 -0.680 -9.172 177 2HB LEU 24 HB1 LEU 24 -5.601 0.599 -8.449 178 HG LEU 24 HG LEU 24 -6.523 1.370 -10.530 179 1HD1 LEU 24 HD11 LEU 24 -4.553 2.469 -10.408 180 2HD1 LEU 24 HD12 LEU 24 -4.210 1.521 -11.854 181 3HD1 LEU 24 HD13 LEU 24 -3.600 0.990 -10.287 182 1HD2 LEU 24 HD21 LEU 24 -5.940 0.287 -12.662 183 2HD2 LEU 24 HD22 LEU 24 -6.913 -0.746 -11.614 184 3HD2 LEU 24 HD23 LEU 24 -5.177 -1.024 -11.763 185 H GLY 25 HN GLY 25 -5.041 -2.297 -6.969 186 1HA GLY 25 HA2 GLY 25 -3.850 -0.637 -5.048 187 2HA GLY 25 HA1 GLY 25 -4.249 -2.330 -4.813 188 H GLU 26 HN GLU 26 -2.582 -3.369 -6.872 189 HA GLU 26 HA GLU 26 -0.172 -3.691 -5.474 190 1HB GLU 26 HB2 GLU 26 -1.206 -4.446 -8.152 191 2HB GLU 26 HB1 GLU 26 0.541 -4.425 -7.967 192 1HG GLU 26 HG2 GLU 26 -0.604 -5.763 -5.729 193 2HG GLU 26 HG1 GLU 26 -1.278 -6.438 -7.212 194 H GLN 27 HN GLN 27 -1.204 -1.383 -7.890 195 HA GLN 27 HA GLN 27 1.312 -0.447 -8.702 196 1HB GLN 27 HB2 GLN 27 -1.451 0.597 -8.807 197 2HB GLN 27 HB1 GLN 27 -0.164 1.783 -8.954 198 1HG GLN 27 HG2 GLN 27 0.583 -0.292 -10.650 199 2HG GLN 27 HG1 GLN 27 -1.155 -0.113 -10.889 200 1HE2 GLN 27 HE21 GLN 27 -0.663 0.610 -13.019 201 2HE2 GLN 27 HE22 GLN 27 -0.154 2.237 -13.294 202 H LEU 28 HN LEU 28 -0.644 0.204 -5.903 203 HA LEU 28 HA LEU 28 0.576 2.525 -4.934 204 1HB LEU 28 HB2 LEU 28 -1.508 1.194 -4.107 205 2HB LEU 28 HB1 LEU 28 -0.352 0.317 -3.124 206 HG LEU 28 HG LEU 28 0.339 2.497 -2.105 207 1HD1 LEU 28 HD11 LEU 28 -0.786 4.474 -2.497 208 2HD1 LEU 28 HD12 LEU 28 -2.174 3.664 -3.224 209 3HD1 LEU 28 HD13 LEU 28 -0.654 3.784 -4.110 210 1HD2 LEU 28 HD21 LEU 28 -2.198 1.090 -1.769 211 2HD2 LEU 28 HD22 LEU 28 -2.215 2.736 -1.135 212 3HD2 LEU 28 HD23 LEU 28 -1.006 1.583 -0.568 213 H TYR 29 HN TYR 29 1.266 -0.871 -4.126 214 HA TYR 29 HA TYR 29 3.484 -0.372 -2.477 215 1HB TYR 29 HB2 TYR 29 2.389 -2.481 -2.325 216 2HB TYR 29 HB1 TYR 29 2.621 -2.804 -4.039 217 HD1 TYR 29 HD1 TYR 29 4.867 -1.878 -1.183 218 HD2 TYR 29 HD2 TYR 29 4.109 -4.506 -4.440 219 HE1 TYR 29 HE1 TYR 29 6.945 -3.091 -0.677 220 HE2 TYR 29 HE2 TYR 29 6.183 -5.726 -3.943 221 HH TYR 29 HH TYR 29 8.598 -4.582 -2.121 222 H LYS 30 HN LYS 30 3.369 -1.289 -5.935 223 HA LYS 30 HA LYS 30 6.150 -1.367 -6.321 224 1HB LYS 30 HB2 LYS 30 5.664 -1.143 -8.719 225 2HB LYS 30 HB1 LYS 30 4.620 -2.332 -7.946 226 1HG LYS 30 HG2 LYS 30 2.773 -0.907 -8.004 227 2HG LYS 30 HG1 LYS 30 3.762 0.509 -8.354 228 1HD LYS 30 HD2 LYS 30 4.049 -1.597 -10.348 229 2HD LYS 30 HD1 LYS 30 2.389 -1.013 -10.201 230 1HE LYS 30 HE2 LYS 30 3.389 0.356 -11.831 231 2HE LYS 30 HE1 LYS 30 3.351 1.328 -10.360 232 1HZ LYS 30 HZ1 LYS 30 5.478 1.609 -11.301 233 2HZ LYS 30 HZ2 LYS 30 5.684 -0.050 -11.565 234 3HZ LYS 30 HZ3 LYS 30 5.703 0.564 -9.989 235 H LYS 31 HN LYS 31 3.894 1.301 -6.308 236 HA LYS 31 HA LYS 31 5.495 3.219 -7.596 237 1HB LYS 31 HB2 LYS 31 3.029 3.410 -6.911 238 2HB LYS 31 HB1 LYS 31 3.627 3.855 -5.318 239 1HG LYS 31 HG2 LYS 31 4.055 5.938 -5.959 240 2HG LYS 31 HG1 LYS 31 4.909 5.397 -7.404 241 1HD LYS 31 HD2 LYS 31 2.468 4.904 -8.257 242 2HD LYS 31 HD1 LYS 31 2.039 6.108 -7.040 243 1HE LYS 31 HE2 LYS 31 3.676 7.661 -8.076 244 2HE LYS 31 HE1 LYS 31 3.952 6.468 -9.344 245 1HZ LYS 31 HZ1 LYS 31 1.752 6.700 -10.111 246 2HZ LYS 31 HZ2 LYS 31 2.320 8.275 -9.880 247 3HZ LYS 31 HZ3 LYS 31 1.273 7.583 -8.747 248 H VAL 32 HN VAL 32 5.505 1.930 -4.367 249 HA VAL 32 HA VAL 32 7.358 3.913 -3.351 250 HB VAL 32 HB VAL 32 6.668 1.268 -2.072 251 1HG1 VAL 32 HG11 VAL 32 8.602 2.254 -1.105 252 2HG1 VAL 32 HG12 VAL 32 7.262 2.564 -0.006 253 3HG1 VAL 32 HG13 VAL 32 7.847 3.847 -1.065 254 1HG2 VAL 32 HG21 VAL 32 4.603 2.491 -2.505 255 2HG2 VAL 32 HG22 VAL 32 5.283 3.930 -1.745 256 3HG2 VAL 32 HG23 VAL 32 4.974 2.485 -0.780 257 H SER 33 HN SER 33 7.423 0.497 -4.336 258 HA SER 33 HA SER 33 10.227 0.200 -3.889 259 1HB SER 33 HB2 SER 33 9.570 -1.853 -5.574 260 2HB SER 33 HB1 SER 33 9.374 -1.898 -3.823 261 HG SER 33 HG SER 33 7.253 -1.536 -4.030 262 H ALA 34 HN ALA 34 8.799 2.123 -6.030 263 HA ALA 34 HA ALA 34 9.825 1.474 -8.538 264 1HB ALA 34 HB1 ALA 34 8.537 3.711 -7.294 265 2HB ALA 34 HB2 ALA 34 8.586 3.261 -8.997 266 3HB ALA 34 HB3 ALA 34 9.857 4.277 -8.316 267 H LYS 35 HN LYS 35 11.472 2.330 -5.705 268 HA LYS 35 HA LYS 35 13.824 3.244 -7.197 269 1HB LYS 35 HB2 LYS 35 13.084 3.528 -4.283 270 2HB LYS 35 HB1 LYS 35 14.635 4.014 -4.954 271 1HG LYS 35 HG2 LYS 35 13.779 5.851 -5.973 272 2HG LYS 35 HG1 LYS 35 12.210 5.095 -6.261 273 1HD LYS 35 HD2 LYS 35 11.529 5.461 -4.014 274 2HD LYS 35 HD1 LYS 35 13.162 5.915 -3.524 275 1HE LYS 35 HE2 LYS 35 12.010 7.947 -3.694 276 2HE LYS 35 HE1 LYS 35 12.941 7.838 -5.188 277 1HZ LYS 35 HZ1 LYS 35 10.184 8.146 -4.895 278 2HZ LYS 35 HZ2 LYS 35 10.443 6.628 -5.594 279 3HZ LYS 35 HZ3 LYS 35 11.071 8.016 -6.328 280 H THR 36 HN THR 36 12.562 0.544 -5.530 281 HA THR 36 HA THR 36 14.839 -1.040 -6.017 282 HB THR 36 HB THR 36 15.968 0.042 -4.255 283 HG1 THR 36 HG1 THR 36 16.240 -1.587 -2.788 284 1HG2 THR 36 HG21 THR 36 13.855 -0.410 -2.218 285 2HG2 THR 36 HG22 THR 36 13.712 0.976 -3.297 286 3HG2 THR 36 HG23 THR 36 15.137 0.797 -2.274 287 H SER 37 HN SER 37 14.571 -3.262 -5.347 288 HA SER 37 HA SER 37 11.772 -3.995 -5.103 289 1HB SER 37 HB2 SER 37 14.175 -5.826 -5.313 290 2HB SER 37 HB1 SER 37 12.488 -6.252 -5.594 291 HG SER 37 HG SER 37 13.773 -5.822 -7.519 292 H ASN 38 HN ASN 38 12.871 -2.724 -2.846 293 HA ASN 38 HA ASN 38 13.496 -4.689 -0.838 294 1HB ASN 38 HB2 ASN 38 13.548 -1.810 -1.065 295 2HB ASN 38 HB1 ASN 38 12.771 -2.304 0.429 296 1HD2 ASN 38 HD21 ASN 38 15.259 -0.940 0.124 297 2HD2 ASN 38 HD22 ASN 38 16.479 -1.945 0.821 298 H GLU 39 HN GLU 39 11.835 -6.080 -0.443 299 HA GLU 39 HA GLU 39 9.114 -5.347 -0.421 300 1HB GLU 39 HB2 GLU 39 10.310 -7.685 1.060 301 2HB GLU 39 HB1 GLU 39 8.672 -7.532 0.437 302 1HG GLU 39 HG2 GLU 39 10.099 -7.205 -1.831 303 2HG GLU 39 HG1 GLU 39 11.155 -8.292 -0.932 304 H GLU 40 HN GLU 40 11.612 -5.074 1.941 305 HA GLU 40 HA GLU 40 9.781 -4.735 4.157 306 1HB GLU 40 HB2 GLU 40 12.701 -4.946 3.806 307 2HB GLU 40 HB1 GLU 40 12.184 -3.878 5.103 308 1HG GLU 40 HG2 GLU 40 12.588 -6.110 5.941 309 2HG GLU 40 HG1 GLU 40 10.883 -5.692 6.088 310 H ALA 41 HN ALA 41 11.460 -2.761 1.851 311 HA ALA 41 HA ALA 41 11.173 -0.281 3.283 312 1HB ALA 41 HB1 ALA 41 12.933 -0.838 1.522 313 2HB ALA 41 HB2 ALA 41 12.161 0.736 1.454 314 3HB ALA 41 HB3 ALA 41 11.663 -0.522 0.340 315 H ALA 42 HN ALA 42 9.904 -1.262 0.119 316 HA ALA 42 HA ALA 42 7.873 0.665 0.056 317 1HB ALA 42 HB1 ALA 42 8.442 -1.817 -1.496 318 2HB ALA 42 HB2 ALA 42 8.421 -0.138 -2.032 319 3HB ALA 42 HB3 ALA 42 6.907 -0.981 -1.715 320 H GLY 43 HN GLY 43 8.007 -2.558 1.394 321 1HA GLY 43 HA2 GLY 43 5.204 -2.924 1.697 322 2HA GLY 43 HA1 GLY 43 6.462 -3.779 2.583 323 H LYS 44 HN LYS 44 7.602 -1.134 3.428 324 HA LYS 44 HA LYS 44 6.199 -0.909 5.902 325 1HB LYS 44 HB2 LYS 44 8.731 -0.320 5.074 326 2HB LYS 44 HB1 LYS 44 8.018 1.285 5.128 327 1HG LYS 44 HG2 LYS 44 9.092 0.816 7.217 328 2HG LYS 44 HG1 LYS 44 7.343 0.876 7.460 329 1HD LYS 44 HD2 LYS 44 7.983 -1.795 6.829 330 2HD LYS 44 HD1 LYS 44 9.177 -1.259 8.011 331 1HE LYS 44 HE2 LYS 44 7.351 -2.165 9.230 332 2HE LYS 44 HE1 LYS 44 7.263 -0.410 9.403 333 1HZ LYS 44 HZ1 LYS 44 5.095 -1.412 8.939 334 2HZ LYS 44 HZ2 LYS 44 5.677 -2.014 7.470 335 3HZ LYS 44 HZ3 LYS 44 5.561 -0.343 7.714 336 H ILE 45 HN ILE 45 6.772 1.373 3.259 337 HA ILE 45 HA ILE 45 4.992 3.357 4.165 338 HB ILE 45 HB ILE 45 6.064 2.782 1.409 339 1HG1 ILE 45 HG12 ILE 45 6.933 4.948 3.325 340 2HG1 ILE 45 HG11 ILE 45 7.671 3.348 3.313 341 1HG2 ILE 45 HG21 ILE 45 4.597 4.264 0.642 342 2HG2 ILE 45 HG22 ILE 45 5.473 5.487 1.562 343 3HG2 ILE 45 HG23 ILE 45 4.072 4.687 2.273 344 1HD1 ILE 45 HD11 ILE 45 7.483 4.828 0.762 345 2HD1 ILE 45 HD12 ILE 45 8.710 3.696 1.335 346 3HD1 ILE 45 HD13 ILE 45 8.673 5.348 1.955 347 H THR 46 HN THR 46 4.604 0.607 1.996 348 HA THR 46 HA THR 46 2.119 1.227 0.904 349 HB THR 46 HB THR 46 3.335 -1.458 1.582 350 HG1 THR 46 HG1 THR 46 4.387 -0.137 0.004 351 1HG2 THR 46 HG21 THR 46 0.665 -0.981 0.789 352 2HG2 THR 46 HG22 THR 46 1.515 -2.519 0.921 353 3HG2 THR 46 HG23 THR 46 1.531 -1.631 -0.603 354 H GLY 47 HN GLY 47 2.937 -0.305 3.997 355 1HA GLY 47 HA2 GLY 47 0.312 -0.995 4.753 356 2HA GLY 47 HA1 GLY 47 1.655 -0.719 5.857 357 H MET 48 HN MET 48 2.111 2.025 5.005 358 HA MET 48 HA MET 48 0.215 3.300 6.719 359 1HB MET 48 HB2 MET 48 2.597 4.162 5.153 360 2HB MET 48 HB1 MET 48 1.446 5.401 5.640 361 1HG MET 48 HG2 MET 48 1.779 4.960 7.925 362 2HG MET 48 HG1 MET 48 2.607 3.441 7.591 363 1HE MET 48 HE1 MET 48 6.166 4.257 7.454 364 2HE MET 48 HE2 MET 48 5.180 3.538 6.179 365 3HE MET 48 HE3 MET 48 4.851 3.157 7.870 366 H ILE 49 HN ILE 49 0.912 3.543 3.218 367 HA ILE 49 HA ILE 49 -1.396 5.161 2.718 368 HB ILE 49 HB ILE 49 0.145 3.535 0.695 369 1HG1 ILE 49 HG12 ILE 49 0.725 6.408 0.916 370 2HG1 ILE 49 HG11 ILE 49 1.262 5.454 2.294 371 1HG2 ILE 49 HG21 ILE 49 -1.229 4.408 -0.799 372 2HG2 ILE 49 HG22 ILE 49 -0.829 6.036 -0.267 373 3HG2 ILE 49 HG23 ILE 49 -2.151 5.158 0.495 374 1HD1 ILE 49 HD11 ILE 49 1.976 4.946 -0.582 375 2HD1 ILE 49 HD12 ILE 49 2.523 4.001 0.802 376 3HD1 ILE 49 HD13 ILE 49 3.015 5.689 0.633 377 H LEU 50 HN LEU 50 -1.277 2.124 3.762 378 HA LEU 50 HA LEU 50 -3.079 0.810 1.955 379 1HB LEU 50 HB2 LEU 50 -1.337 -0.015 3.917 380 2HB LEU 50 HB1 LEU 50 -2.897 -0.243 4.681 381 HG LEU 50 HG LEU 50 -2.077 -2.284 3.577 382 1HD1 LEU 50 HD11 LEU 50 -4.518 -1.126 2.240 383 2HD1 LEU 50 HD12 LEU 50 -4.487 -1.877 3.834 384 3HD1 LEU 50 HD13 LEU 50 -4.119 -2.836 2.401 385 1HD2 LEU 50 HD21 LEU 50 -1.135 -2.230 1.574 386 2HD2 LEU 50 HD22 LEU 50 -1.417 -0.490 1.493 387 3HD2 LEU 50 HD23 LEU 50 -2.625 -1.611 0.862 388 H ASP 51 HN ASP 51 -3.705 3.411 3.614 389 HA ASP 51 HA ASP 51 -6.038 2.601 5.111 390 1HB ASP 51 HB2 ASP 51 -4.471 5.077 4.757 391 2HB ASP 51 HB1 ASP 51 -6.202 5.317 4.989 392 H LEU 52 HN LEU 52 -5.264 3.784 1.942 393 HA LEU 52 HA LEU 52 -7.914 4.663 1.298 394 1HB LEU 52 HB2 LEU 52 -5.602 3.934 -0.509 395 2HB LEU 52 HB1 LEU 52 -7.092 4.688 -1.040 396 HG LEU 52 HG LEU 52 -5.538 6.440 -0.923 397 1HD1 LEU 52 HD11 LEU 52 -6.645 6.825 1.801 398 2HD1 LEU 52 HD12 LEU 52 -7.785 6.611 0.473 399 3HD1 LEU 52 HD13 LEU 52 -6.608 7.925 0.423 400 1HD2 LEU 52 HD21 LEU 52 -3.795 6.604 0.497 401 2HD2 LEU 52 HD22 LEU 52 -4.091 4.878 0.694 402 3HD2 LEU 52 HD23 LEU 52 -4.720 6.020 1.880 403 HA PRO 53 HA PRO 53 -9.661 0.578 0.995 404 1HB PRO 53 HB2 PRO 53 -11.502 1.858 -0.931 405 2HB PRO 53 HB1 PRO 53 -11.857 0.929 0.523 406 1HG PRO 53 HG2 PRO 53 -12.101 3.629 0.404 407 2HG PRO 53 HG1 PRO 53 -11.719 2.751 1.894 408 1HD PRO 53 HD2 PRO 53 -9.988 4.438 0.202 409 2HD PRO 53 HD1 PRO 53 -9.831 4.021 1.918 410 HA PRO 54 HA PRO 54 -8.172 -1.487 -2.567 411 1HB PRO 54 HB2 PRO 54 -10.976 -2.204 -3.273 412 2HB PRO 54 HB1 PRO 54 -9.552 -3.234 -3.116 413 1HG PRO 54 HG2 PRO 54 -11.397 -3.182 -1.202 414 2HG PRO 54 HG1 PRO 54 -9.673 -3.271 -0.796 415 1HD PRO 54 HD2 PRO 54 -11.547 -0.960 -0.622 416 2HD PRO 54 HD1 PRO 54 -10.172 -1.383 0.419 417 H GLN 55 HN GLN 55 -11.370 -0.433 -3.743 418 HA GLN 55 HA GLN 55 -10.236 0.342 -6.269 419 1HB GLN 55 HB2 GLN 55 -13.027 0.932 -5.298 420 2HB GLN 55 HB1 GLN 55 -12.461 0.851 -6.962 421 1HG GLN 55 HG2 GLN 55 -11.876 -1.602 -6.374 422 2HG GLN 55 HG1 GLN 55 -13.003 -1.364 -5.039 423 1HE2 GLN 55 HE21 GLN 55 -14.542 -2.759 -5.792 424 2HE2 GLN 55 HE22 GLN 55 -15.488 -2.451 -7.204 425 H GLU 56 HN GLU 56 -11.431 1.967 -3.407 426 HA GLU 56 HA GLU 56 -11.478 4.599 -4.362 427 1HB GLU 56 HB2 GLU 56 -11.728 3.250 -1.833 428 2HB GLU 56 HB1 GLU 56 -10.779 4.714 -1.642 429 1HG GLU 56 HG2 GLU 56 -12.607 5.949 -1.700 430 2HG GLU 56 HG1 GLU 56 -13.055 5.276 -3.267 431 H VAL 57 HN VAL 57 -8.806 2.584 -3.588 432 HA VAL 57 HA VAL 57 -6.995 4.813 -3.133 433 HB VAL 57 HB VAL 57 -6.669 2.718 -1.876 434 1HG1 VAL 57 HG11 VAL 57 -7.382 1.139 -3.554 435 2HG1 VAL 57 HG12 VAL 57 -5.756 0.748 -3.012 436 3HG1 VAL 57 HG13 VAL 57 -6.001 1.543 -4.566 437 1HG2 VAL 57 HG21 VAL 57 -4.789 4.321 -2.527 438 2HG2 VAL 57 HG22 VAL 57 -4.311 3.090 -3.692 439 3HG2 VAL 57 HG23 VAL 57 -4.332 2.711 -1.971 440 H PHE 58 HN PHE 58 -7.949 2.653 -5.675 441 HA PHE 58 HA PHE 58 -5.994 2.607 -7.507 442 1HB PHE 58 HB2 PHE 58 -8.922 3.162 -7.915 443 2HB PHE 58 HB1 PHE 58 -7.821 2.978 -9.270 444 HD1 PHE 58 HD1 PHE 58 -9.334 1.159 -9.967 445 HD2 PHE 58 HD2 PHE 58 -7.047 0.969 -6.386 446 HE1 PHE 58 HE1 PHE 58 -9.650 -1.273 -9.901 447 HE2 PHE 58 HE2 PHE 58 -7.372 -1.472 -6.307 448 HZ PHE 58 HZ PHE 58 -8.673 -2.583 -8.074 449 HA PRO 59 HA PRO 59 -6.980 7.069 -9.195 450 1HB PRO 59 HB2 PRO 59 -8.168 8.761 -7.383 451 2HB PRO 59 HB1 PRO 59 -9.039 7.863 -8.629 452 1HG PRO 59 HG2 PRO 59 -8.679 7.217 -5.733 453 2HG PRO 59 HG1 PRO 59 -10.127 7.063 -6.745 454 1HD PRO 59 HD2 PRO 59 -8.606 4.943 -6.114 455 2HD PRO 59 HD1 PRO 59 -9.407 5.075 -7.691 456 H LEU 60 HN LEU 60 -6.119 6.462 -5.838 457 HA LEU 60 HA LEU 60 -4.347 8.748 -5.718 458 1HB LEU 60 HB2 LEU 60 -5.306 8.270 -3.653 459 2HB LEU 60 HB1 LEU 60 -5.076 6.541 -3.834 460 HG LEU 60 HG LEU 60 -2.519 7.835 -3.828 461 1HD1 LEU 60 HD11 LEU 60 -2.485 9.220 -2.116 462 2HD1 LEU 60 HD12 LEU 60 -3.625 8.256 -1.174 463 3HD1 LEU 60 HD13 LEU 60 -4.216 9.363 -2.408 464 1HD2 LEU 60 HD21 LEU 60 -3.266 5.451 -3.195 465 2HD2 LEU 60 HD22 LEU 60 -3.634 6.151 -1.621 466 3HD2 LEU 60 HD23 LEU 60 -1.989 6.212 -2.248 467 H LEU 61 HN LEU 61 -3.966 5.201 -5.649 468 HA LEU 61 HA LEU 61 -1.169 5.195 -5.694 469 1HB LEU 61 HB2 LEU 61 -1.429 2.831 -6.568 470 2HB LEU 61 HB1 LEU 61 -2.188 3.192 -5.038 471 HG LEU 61 HG LEU 61 -4.333 3.555 -6.438 472 1HD1 LEU 61 HD11 LEU 61 -3.803 3.476 -8.635 473 2HD1 LEU 61 HD12 LEU 61 -4.131 1.764 -8.367 474 3HD1 LEU 61 HD13 LEU 61 -2.467 2.352 -8.393 475 1HD2 LEU 61 HD21 LEU 61 -3.101 0.855 -5.956 476 2HD2 LEU 61 HD22 LEU 61 -4.801 1.119 -6.335 477 3HD2 LEU 61 HD23 LEU 61 -4.115 1.770 -4.851 478 H GLU 62 HN GLU 62 -3.214 6.179 -8.180 479 HA GLU 62 HA GLU 62 -1.274 5.412 -10.251 480 1HB GLU 62 HB2 GLU 62 -3.019 5.787 -11.870 481 2HB GLU 62 HB1 GLU 62 -3.647 4.745 -10.601 482 1HG GLU 62 HG2 GLU 62 -5.237 6.202 -10.048 483 2HG GLU 62 HG1 GLU 62 -4.118 7.562 -10.069 484 H SER 63 HN SER 63 -2.112 8.009 -8.305 485 HA SER 63 HA SER 63 -1.213 9.969 -10.309 486 1HB SER 63 HB2 SER 63 -3.449 10.376 -9.314 487 2HB SER 63 HB1 SER 63 -2.699 10.464 -7.724 488 HG SER 63 HG SER 63 -2.409 12.225 -9.909 489 H ASP 64 HN ASP 64 0.703 10.884 -10.088 490 HA ASP 64 HA ASP 64 2.546 10.124 -8.114 491 1HB ASP 64 HB2 ASP 64 2.529 12.380 -10.117 492 2HB ASP 64 HB1 ASP 64 3.892 12.086 -9.039 493 H GLU 65 HN GLU 65 0.741 13.168 -8.542 494 HA GLU 65 HA GLU 65 1.798 14.490 -6.311 495 1HB GLU 65 HB2 GLU 65 -0.250 15.921 -6.446 496 2HB GLU 65 HB1 GLU 65 0.620 15.759 -7.965 497 1HG GLU 65 HG2 GLU 65 -1.025 14.400 -8.900 498 2HG GLU 65 HG1 GLU 65 -1.717 14.000 -7.336 499 H LEU 66 HN LEU 66 -1.185 12.589 -6.626 500 HA LEU 66 HA LEU 66 -2.039 12.884 -3.974 501 1HB LEU 66 HB2 LEU 66 -2.860 11.472 -6.295 502 2HB LEU 66 HB1 LEU 66 -2.838 10.331 -4.964 503 HG LEU 66 HG LEU 66 -5.040 11.345 -5.226 504 1HD1 LEU 66 HD11 LEU 66 -3.453 11.976 -2.770 505 2HD1 LEU 66 HD12 LEU 66 -4.630 10.690 -3.041 506 3HD1 LEU 66 HD13 LEU 66 -5.173 12.362 -2.877 507 1HD2 LEU 66 HD21 LEU 66 -4.709 13.942 -4.257 508 2HD2 LEU 66 HD22 LEU 66 -5.180 13.462 -5.888 509 3HD2 LEU 66 HD23 LEU 66 -3.482 13.756 -5.513 510 H PHE 67 HN PHE 67 0.354 10.840 -5.410 511 HA PHE 67 HA PHE 67 0.528 9.033 -3.175 512 1HB PHE 67 HB2 PHE 67 1.205 8.633 -5.695 513 2HB PHE 67 HB1 PHE 67 2.748 9.295 -5.162 514 HD1 PHE 67 HD1 PHE 67 4.289 7.952 -3.982 515 HD2 PHE 67 HD2 PHE 67 0.262 6.655 -4.459 516 HE1 PHE 67 HE1 PHE 67 4.884 5.761 -3.042 517 HE2 PHE 67 HE2 PHE 67 0.871 4.469 -3.525 518 HZ PHE 67 HZ PHE 67 3.153 4.016 -2.813 519 H GLU 68 HN GLU 68 2.610 11.590 -4.513 520 HA GLU 68 HA GLU 68 4.699 11.563 -2.784 521 1HB GLU 68 HB2 GLU 68 3.236 13.904 -3.980 522 2HB GLU 68 HB1 GLU 68 4.705 14.105 -3.035 523 1HG GLU 68 HG2 GLU 68 4.744 12.165 -5.280 524 2HG GLU 68 HG1 GLU 68 4.749 13.885 -5.664 525 H GLN 69 HN GLN 69 1.605 13.231 -2.195 526 HA GLN 69 HA GLN 69 2.214 14.305 0.306 527 1HB GLN 69 HB2 GLN 69 -0.284 13.633 -1.159 528 2HB GLN 69 HB1 GLN 69 -0.423 13.935 0.567 529 1HG GLN 69 HG2 GLN 69 1.036 16.062 -0.101 530 2HG GLN 69 HG1 GLN 69 0.223 15.790 -1.641 531 1HE2 GLN 69 HE21 GLN 69 -0.241 18.094 -0.315 532 2HE2 GLN 69 HE22 GLN 69 -1.841 18.103 0.343 533 H HIS 70 HN HIS 70 0.238 11.417 -0.308 534 HA HIS 70 HA HIS 70 0.173 10.563 2.372 535 1HB HIS 70 HB2 HIS 70 -0.581 9.418 -0.240 536 2HB HIS 70 HB1 HIS 70 -0.200 8.232 1.004 537 HD2 HIS 70 HD2 HIS 70 -3.142 10.349 -0.112 538 HE1 HIS 70 HE1 HIS 70 -3.992 9.139 3.866 539 HE2 HIS 70 HE2 HIS 70 -4.898 10.230 1.783 540 H TYR 71 HN TYR 71 2.188 9.430 -0.343 541 HA TYR 71 HA TYR 71 3.726 7.665 1.252 542 1HB TYR 71 HB2 TYR 71 3.880 7.086 -0.964 543 2HB TYR 71 HB1 TYR 71 3.892 8.751 -1.517 544 HD1 TYR 71 HD1 TYR 71 5.936 9.909 -1.896 545 HD2 TYR 71 HD2 TYR 71 5.971 6.036 -0.143 546 HE1 TYR 71 HE1 TYR 71 8.363 9.768 -2.267 547 HE2 TYR 71 HE2 TYR 71 8.396 5.888 -0.500 548 HH TYR 71 HH TYR 71 10.199 6.863 -1.357 549 H LYS 72 HN LYS 72 3.654 11.048 1.114 550 HA LYS 72 HA LYS 72 6.347 11.762 1.423 551 1HB LYS 72 HB2 LYS 72 4.178 13.237 1.184 552 2HB LYS 72 HB1 LYS 72 4.197 13.199 2.936 553 1HG LYS 72 HG2 LYS 72 6.692 13.935 2.610 554 2HG LYS 72 HG1 LYS 72 6.091 14.488 1.044 555 1HD LYS 72 HD2 LYS 72 4.180 15.533 2.541 556 2HD LYS 72 HD1 LYS 72 5.427 15.445 3.788 557 1HE LYS 72 HE2 LYS 72 6.648 17.089 2.859 558 2HE LYS 72 HE1 LYS 72 6.323 16.543 1.215 559 1HZ LYS 72 HZ1 LYS 72 5.332 18.777 2.198 560 2HZ LYS 72 HZ2 LYS 72 4.095 17.729 2.672 561 3HZ LYS 72 HZ3 LYS 72 4.512 17.860 1.038 562 H GLU 73 HN GLU 73 3.925 11.688 4.019 563 HA GLU 73 HA GLU 73 5.662 11.736 6.167 564 1HB GLU 73 HB2 GLU 73 2.868 10.823 5.752 565 2HB GLU 73 HB1 GLU 73 3.667 10.261 7.213 566 1HG GLU 73 HG2 GLU 73 3.030 12.165 8.147 567 2HG GLU 73 HG1 GLU 73 4.249 12.957 7.149 568 H ALA 74 HN ALA 74 4.469 8.988 4.323 569 HA ALA 74 HA ALA 74 5.640 6.984 5.951 570 1HB ALA 74 HB1 ALA 74 4.251 5.801 4.677 571 2HB ALA 74 HB2 ALA 74 5.424 5.953 3.374 572 3HB ALA 74 HB3 ALA 74 4.109 7.115 3.511 573 H SER 75 HN SER 75 6.768 8.916 3.260 574 HA SER 75 HA SER 75 9.001 7.423 2.503 575 1HB SER 75 HB2 SER 75 8.142 9.402 1.255 576 2HB SER 75 HB1 SER 75 8.761 10.448 2.530 577 HG SER 75 HG SER 75 10.861 9.394 2.037 578 H ALA 76 HN ALA 76 8.795 10.122 4.812 579 HA ALA 76 HA ALA 76 11.383 10.224 5.714 580 1HB ALA 76 HB1 ALA 76 10.328 11.822 6.866 581 2HB ALA 76 HB2 ALA 76 9.939 10.569 8.042 582 3HB ALA 76 HB3 ALA 76 8.783 10.976 6.777 583 H ALA 77 HN ALA 77 8.882 7.922 6.605 584 HA ALA 77 HA ALA 77 10.459 6.610 8.626 585 1HB ALA 77 HB1 ALA 77 8.628 5.292 9.016 586 2HB ALA 77 HB2 ALA 77 8.144 5.274 7.321 587 3HB ALA 77 HB3 ALA 77 7.860 6.710 8.304 588 H TYR 78 HN TYR 78 10.328 6.508 5.255 589 HA TYR 78 HA TYR 78 10.958 3.828 4.682 590 1HB TYR 78 HB2 TYR 78 10.265 5.714 3.077 591 2HB TYR 78 HB1 TYR 78 11.942 6.228 3.132 592 HD1 TYR 78 HD1 TYR 78 10.195 5.261 0.741 593 HD2 TYR 78 HD2 TYR 78 13.097 3.343 3.186 594 HE1 TYR 78 HE1 TYR 78 10.727 3.718 -1.104 595 HE2 TYR 78 HE2 TYR 78 13.628 1.793 1.378 596 HH TYR 78 HH TYR 78 11.843 1.849 -1.686 597 H GLU 79 HN GLU 79 13.016 6.692 5.047 598 HA GLU 79 HA GLU 79 15.466 5.314 4.809 599 1HB GLU 79 HB2 GLU 79 14.592 8.026 5.347 600 2HB GLU 79 HB1 GLU 79 15.991 7.597 6.324 601 1HG GLU 79 HG2 GLU 79 17.293 7.106 4.410 602 2HG GLU 79 HG1 GLU 79 15.885 7.181 3.352 603 H SER 80 HN SER 80 13.691 6.432 7.688 604 HA SER 80 HA SER 80 15.555 5.655 9.584 605 1HB SER 80 HB2 SER 80 12.783 6.494 9.579 606 2HB SER 80 HB1 SER 80 13.069 5.258 10.804 607 HG SER 80 HG SER 80 15.078 6.822 11.096 608 H PHE 81 HN PHE 81 12.773 3.816 8.333 609 HA PHE 81 HA PHE 81 13.342 1.501 9.868 610 1HB PHE 81 HB2 PHE 81 11.342 2.345 7.962 611 2HB PHE 81 HB1 PHE 81 11.850 0.693 7.637 612 HD1 PHE 81 HD1 PHE 81 10.417 2.931 10.203 613 HD2 PHE 81 HD2 PHE 81 11.188 -1.089 9.034 614 HE1 PHE 81 HE1 PHE 81 8.941 2.127 11.997 615 HE2 PHE 81 HE2 PHE 81 9.713 -1.897 10.829 616 HZ PHE 81 HZ PHE 81 8.585 -0.288 12.311 617 H LYS 82 HN LYS 82 14.294 2.582 6.664 618 HA LYS 82 HA LYS 82 15.342 0.027 5.881 619 1HB LYS 82 HB2 LYS 82 15.192 2.717 4.675 620 2HB LYS 82 HB1 LYS 82 16.482 1.664 4.114 621 1HG LYS 82 HG2 LYS 82 13.589 0.853 4.193 622 2HG LYS 82 HG1 LYS 82 14.385 1.556 2.787 623 1HD LYS 82 HD2 LYS 82 15.174 -0.436 2.208 624 2HD LYS 82 HD1 LYS 82 16.007 -0.572 3.755 625 1HE LYS 82 HE2 LYS 82 13.106 -1.274 3.346 626 2HE LYS 82 HE1 LYS 82 14.419 -2.441 3.232 627 1HZ LYS 82 HZ1 LYS 82 13.644 -0.864 5.621 628 2HZ LYS 82 HZ2 LYS 82 15.017 -1.847 5.537 629 3HZ LYS 82 HZ3 LYS 82 13.480 -2.535 5.409 630 H LYS 83 HN LYS 83 16.898 3.166 6.510 631 HA LYS 83 HA LYS 83 19.519 2.229 6.442 632 1HB LYS 83 HB2 LYS 83 18.404 4.551 8.019 633 2HB LYS 83 HB1 LYS 83 20.101 4.295 7.645 634 1HG LYS 83 HG2 LYS 83 17.896 4.786 5.652 635 2HG LYS 83 HG1 LYS 83 19.125 5.945 6.159 636 1HD LYS 83 HD2 LYS 83 19.912 3.308 4.974 637 2HD LYS 83 HD1 LYS 83 19.448 4.656 3.935 638 1HE LYS 83 HE2 LYS 83 21.739 4.919 4.082 639 2HE LYS 83 HE1 LYS 83 21.159 5.999 5.349 640 1HZ LYS 83 HZ1 LYS 83 21.801 3.217 6.035 641 2HZ LYS 83 HZ2 LYS 83 21.889 4.607 6.995 642 3HZ LYS 83 HZ3 LYS 83 23.069 4.315 5.820 643 H GLU 84 HN GLU 84 17.118 1.692 8.807 644 HA GLU 84 HA GLU 84 18.851 1.372 11.062 645 1HB GLU 84 HB2 GLU 84 16.032 1.267 10.542 646 2HB GLU 84 HB1 GLU 84 16.506 -0.183 11.411 647 1HG GLU 84 HG2 GLU 84 17.702 2.180 12.565 648 2HG GLU 84 HG1 GLU 84 15.946 2.304 12.490 649 H GLN 85 HN GLN 85 17.721 -0.652 8.460 650 HA GLN 85 HA GLN 85 18.388 -3.154 9.631 651 1HB GLN 85 HB2 GLN 85 17.633 -2.179 6.929 652 2HB GLN 85 HB1 GLN 85 18.475 -3.721 7.015 653 1HG GLN 85 HG2 GLN 85 16.775 -4.639 8.432 654 2HG GLN 85 HG1 GLN 85 15.978 -3.071 8.562 655 1HE2 GLN 85 HE21 GLN 85 14.473 -5.128 7.791 656 2HE2 GLN 85 HE22 GLN 85 14.107 -5.037 6.106 657 H GLU 86 HN GLU 86 20.485 -2.767 10.485 658 HA GLU 86 HA GLU 86 22.666 -2.338 8.612 659 1HB GLU 86 HB2 GLU 86 24.085 -2.390 10.657 660 2HB GLU 86 HB1 GLU 86 22.819 -1.171 10.715 661 1HG GLU 86 HG2 GLU 86 21.631 -2.282 12.334 662 2HG GLU 86 HG1 GLU 86 22.307 -3.852 11.905 663 H GLN 87 HN GLN 87 21.032 -4.938 10.130 664 HA GLN 87 HA GLN 87 23.260 -6.779 9.649 665 1HB GLN 87 HB2 GLN 87 21.106 -6.657 11.567 666 2HB GLN 87 HB1 GLN 87 21.086 -8.200 10.725 667 1HG GLN 87 HG2 GLN 87 23.696 -8.047 11.282 668 2HG GLN 87 HG1 GLN 87 23.054 -7.093 12.618 669 1HE2 GLN 87 HE21 GLN 87 24.262 -9.885 12.274 670 2HE2 GLN 87 HE22 GLN 87 23.185 -10.900 13.165 671 H GLN 88 HN GLN 88 19.906 -6.177 8.724 672 HA GLN 88 HA GLN 88 19.858 -8.465 6.949 673 1HB GLN 88 HB2 GLN 88 17.892 -7.300 8.315 674 2HB GLN 88 HB1 GLN 88 17.749 -6.371 6.830 675 1HG GLN 88 HG2 GLN 88 16.825 -8.069 5.721 676 2HG GLN 88 HG1 GLN 88 17.973 -9.238 6.372 677 1HE2 GLN 88 HE21 GLN 88 15.397 -9.982 6.034 678 2HE2 GLN 88 HE22 GLN 88 14.612 -10.149 7.564 679 H THR 89 HN THR 89 21.128 -8.263 5.200 680 HA THR 89 HA THR 89 20.918 -5.784 3.622 681 HB THR 89 HB THR 89 23.132 -7.850 3.634 682 HG1 THR 89 HG1 THR 89 23.107 -6.543 5.499 683 1HG2 THR 89 HG21 THR 89 22.917 -6.730 1.459 684 2HG2 THR 89 HG22 THR 89 24.408 -6.301 2.299 685 3HG2 THR 89 HG23 THR 89 23.056 -5.169 2.268 686 H GLU 90 HN GLU 90 19.105 -6.332 2.430 687 HA GLU 90 HA GLU 90 19.084 -8.825 0.934 688 1HB GLU 90 HB2 GLU 90 17.110 -6.805 1.721 689 2HB GLU 90 HB1 GLU 90 16.897 -7.391 0.077 690 1HG GLU 90 HG2 GLU 90 17.271 -9.325 2.318 691 2HG GLU 90 HG1 GLU 90 15.699 -8.578 2.040 692 H GLN 91 HN GLN 91 19.407 -5.361 0.348 693 HA GLN 91 HA GLN 91 19.604 -5.802 -2.522 694 1HB GLN 91 HB2 GLN 91 18.932 -3.579 -0.824 695 2HB GLN 91 HB1 GLN 91 20.229 -3.117 -1.918 696 1HG GLN 91 HG2 GLN 91 17.562 -4.268 -2.704 697 2HG GLN 91 HG1 GLN 91 18.065 -2.587 -2.862 698 1HE2 GLN 91 HE21 GLN 91 18.242 -2.202 -4.960 699 2HE2 GLN 91 HE22 GLN 91 19.110 -3.174 -6.094 700 H ALA 92 HN ALA 92 21.460 -6.002 -3.592 701 HA ALA 92 HA ALA 92 23.946 -6.045 -2.172 702 1HB ALA 92 HB1 ALA 92 24.239 -7.571 -3.777 703 2HB ALA 92 HB2 ALA 92 24.599 -6.210 -4.840 704 3HB ALA 92 HB3 ALA 92 22.968 -6.878 -4.785 Start of MODEL 28 1 1H GLY 1 HT1 GLY 1 -21.245 15.754 4.871 2 2H GLY 1 HT2 GLY 1 -19.602 16.125 5.016 3 3H GLY 1 HT3 GLY 1 -20.200 14.673 5.645 4 1HA GLY 1 HA1 GLY 1 -19.332 15.288 2.990 5 2HA GLY 1 HA2 GLY 1 -19.559 13.721 3.755 6 HA PRO 2 HA PRO 2 -22.633 13.979 0.279 7 1HB PRO 2 HB2 PRO 2 -22.440 11.049 0.772 8 2HB PRO 2 HB1 PRO 2 -22.438 11.937 -0.757 9 1HG PRO 2 HG2 PRO 2 -20.183 10.909 0.218 10 2HG PRO 2 HG1 PRO 2 -20.192 12.489 -0.586 11 1HD PRO 2 HD2 PRO 2 -20.044 11.844 2.327 12 2HD PRO 2 HD1 PRO 2 -19.240 13.138 1.415 13 H LEU 3 HN LEU 3 -24.813 13.925 0.463 14 HA LEU 3 HA LEU 3 -25.941 13.463 3.058 15 1HB LEU 3 HB2 LEU 3 -26.613 14.969 0.801 16 2HB LEU 3 HB1 LEU 3 -27.893 13.778 0.939 17 HG LEU 3 HG LEU 3 -28.541 15.793 2.096 18 1HD1 LEU 3 HD11 LEU 3 -29.035 14.887 4.285 19 2HD1 LEU 3 HD12 LEU 3 -27.790 13.655 4.083 20 3HD1 LEU 3 HD13 LEU 3 -29.223 13.637 3.054 21 1HD2 LEU 3 HD21 LEU 3 -27.273 16.609 4.036 22 2HD2 LEU 3 HD22 LEU 3 -26.349 16.724 2.538 23 3HD2 LEU 3 HD23 LEU 3 -26.007 15.431 3.689 24 H GLY 4 HN GLY 4 -26.948 12.184 -0.124 25 1HA GLY 4 HA2 GLY 4 -27.987 9.806 1.238 26 2HA GLY 4 HA1 GLY 4 -28.344 10.294 -0.413 27 H SER 5 HN SER 5 -25.949 8.787 1.685 28 HA SER 5 HA SER 5 -24.422 7.921 -0.647 29 1HB SER 5 HB2 SER 5 -23.221 8.816 1.349 30 2HB SER 5 HB1 SER 5 -23.796 7.429 2.270 31 HG SER 5 HG SER 5 -22.533 6.107 1.108 32 HA PRO 6 HA PRO 6 -25.683 3.681 1.574 33 1HB PRO 6 HB2 PRO 6 -28.313 4.668 2.580 34 2HB PRO 6 HB1 PRO 6 -27.220 3.466 3.278 35 1HG PRO 6 HG2 PRO 6 -27.370 5.900 4.322 36 2HG PRO 6 HG1 PRO 6 -25.805 5.078 4.171 37 1HD PRO 6 HD2 PRO 6 -26.960 7.279 2.507 38 2HD PRO 6 HD1 PRO 6 -25.286 7.018 3.031 39 H ARG 7 HN ARG 7 -27.655 6.050 -0.029 40 HA ARG 7 HA ARG 7 -29.394 4.137 -1.290 41 1HB ARG 7 HB2 ARG 7 -29.096 7.077 -1.246 42 2HB ARG 7 HB1 ARG 7 -29.766 6.399 -2.723 43 1HG ARG 7 HG2 ARG 7 -31.586 5.430 -1.559 44 2HG ARG 7 HG1 ARG 7 -30.850 5.769 0.008 45 1HD ARG 7 HD2 ARG 7 -32.704 7.316 -0.637 46 2HD ARG 7 HD1 ARG 7 -31.178 8.115 -0.262 47 HE ARG 7 HE ARG 7 -30.933 7.982 -2.859 48 1HH1 ARG 7 HH11 ARG 7 -33.831 8.713 -1.040 49 2HH1 ARG 7 HH12 ARG 7 -34.520 9.680 -2.299 50 1HH2 ARG 7 HH21 ARG 7 -31.842 9.267 -4.500 51 2HH2 ARG 7 HH22 ARG 7 -33.394 9.996 -4.257 52 H ASN 8 HN ASN 8 -26.260 4.434 -1.740 53 HA ASN 8 HA ASN 8 -26.255 4.663 -4.645 54 1HB ASN 8 HB2 ASN 8 -24.173 4.693 -2.517 55 2HB ASN 8 HB1 ASN 8 -23.697 4.116 -4.111 56 1HD2 ASN 8 HD21 ASN 8 -22.422 5.796 -4.685 57 2HD2 ASN 8 HD22 ASN 8 -22.996 7.406 -4.929 58 H ALA 9 HN ALA 9 -25.283 3.037 -5.984 59 HA ALA 9 HA ALA 9 -26.286 0.464 -5.564 60 1HB ALA 9 HB1 ALA 9 -25.232 -0.140 -7.579 61 2HB ALA 9 HB2 ALA 9 -23.972 1.078 -7.380 62 3HB ALA 9 HB3 ALA 9 -25.623 1.570 -7.756 63 H ASN 10 HN ASN 10 -25.666 -0.861 -3.976 64 HA ASN 10 HA ASN 10 -22.800 -1.040 -3.329 65 1HB ASN 10 HB2 ASN 10 -25.268 -1.613 -1.692 66 2HB ASN 10 HB1 ASN 10 -23.669 -2.166 -1.204 67 1HD2 ASN 10 HD21 ASN 10 -24.545 -0.730 0.633 68 2HD2 ASN 10 HD22 ASN 10 -24.025 0.916 0.592 69 H ASP 11 HN ASP 11 -24.164 -2.386 -5.564 70 HA ASP 11 HA ASP 11 -24.400 -5.153 -4.824 71 1HB ASP 11 HB2 ASP 11 -25.218 -3.579 -7.001 72 2HB ASP 11 HB1 ASP 11 -24.066 -4.730 -7.670 73 H ASN 12 HN ASN 12 -22.340 -5.531 -3.874 74 HA ASN 12 HA ASN 12 -19.933 -5.214 -5.388 75 1HB ASN 12 HB2 ASN 12 -20.074 -5.205 -2.866 76 2HB ASN 12 HB1 ASN 12 -20.336 -6.946 -2.945 77 1HD2 ASN 12 HD21 ASN 12 -18.580 -8.058 -2.548 78 2HD2 ASN 12 HD22 ASN 12 -16.967 -7.615 -2.979 79 H ASN 13 HN ASN 13 -19.170 -6.506 -6.908 80 HA ASN 13 HA ASN 13 -20.286 -9.215 -7.142 81 1HB ASN 13 HB2 ASN 13 -18.886 -7.534 -9.233 82 2HB ASN 13 HB1 ASN 13 -19.611 -9.116 -9.497 83 1HD2 ASN 13 HD21 ASN 13 -21.962 -8.870 -8.110 84 2HD2 ASN 13 HD22 ASN 13 -22.953 -7.671 -8.861 85 H GLN 14 HN GLN 14 -19.024 -10.873 -6.613 86 HA GLN 14 HA GLN 14 -16.168 -10.427 -6.236 87 1HB GLN 14 HB2 GLN 14 -17.921 -12.798 -5.566 88 2HB GLN 14 HB1 GLN 14 -16.202 -12.696 -5.211 89 1HG GLN 14 HG2 GLN 14 -16.857 -11.928 -3.227 90 2HG GLN 14 HG1 GLN 14 -17.136 -10.406 -4.072 91 1HE2 GLN 14 HE21 GLN 14 -18.718 -13.452 -3.234 92 2HE2 GLN 14 HE22 GLN 14 -20.295 -12.780 -3.028 93 H PHE 15 HN PHE 15 -17.095 -10.408 -8.909 94 HA PHE 15 HA PHE 15 -16.348 -12.969 -10.047 95 1HB PHE 15 HB2 PHE 15 -18.306 -11.556 -10.847 96 2HB PHE 15 HB1 PHE 15 -17.116 -10.475 -11.554 97 HD1 PHE 15 HD1 PHE 15 -18.187 -14.032 -11.538 98 HD2 PHE 15 HD2 PHE 15 -16.334 -10.867 -13.693 99 HE1 PHE 15 HE1 PHE 15 -18.127 -15.447 -13.551 100 HE2 PHE 15 HE2 PHE 15 -16.268 -12.271 -15.712 101 HZ PHE 15 HZ PHE 15 -17.167 -14.566 -15.645 102 H TYR 16 HN TYR 16 -15.510 -10.009 -11.689 103 HA TYR 16 HA TYR 16 -12.738 -10.884 -11.742 104 1HB TYR 16 HB2 TYR 16 -12.549 -8.961 -13.446 105 2HB TYR 16 HB1 TYR 16 -13.441 -10.403 -13.912 106 HD1 TYR 16 HD1 TYR 16 -14.558 -7.557 -11.787 107 HD2 TYR 16 HD2 TYR 16 -14.989 -9.634 -15.468 108 HE1 TYR 16 HE1 TYR 16 -16.503 -6.176 -12.323 109 HE2 TYR 16 HE2 TYR 16 -16.942 -8.251 -16.022 110 HH TYR 16 HH TYR 16 -17.685 -5.424 -14.503 111 H GLN 17 HN GLN 17 -14.607 -8.838 -9.912 112 HA GLN 17 HA GLN 17 -12.944 -6.583 -9.638 113 1HB GLN 17 HB2 GLN 17 -15.112 -7.797 -7.969 114 2HB GLN 17 HB1 GLN 17 -14.178 -6.442 -7.349 115 1HG GLN 17 HG2 GLN 17 -14.910 -5.677 -9.918 116 2HG GLN 17 HG1 GLN 17 -16.337 -6.479 -9.265 117 1HE2 GLN 17 HE21 GLN 17 -17.072 -5.746 -7.135 118 2HE2 GLN 17 HE22 GLN 17 -16.908 -4.072 -6.735 119 H GLN 18 HN GLN 18 -12.670 -9.791 -8.422 120 HA GLN 18 HA GLN 18 -11.195 -9.347 -6.080 121 1HB GLN 18 HB2 GLN 18 -11.224 -11.638 -8.038 122 2HB GLN 18 HB1 GLN 18 -10.257 -11.663 -6.570 123 1HG GLN 18 HG2 GLN 18 -12.517 -11.107 -5.405 124 2HG GLN 18 HG1 GLN 18 -13.216 -11.752 -6.890 125 1HE2 GLN 18 HE21 GLN 18 -10.681 -12.555 -4.543 126 2HE2 GLN 18 HE22 GLN 18 -11.043 -14.242 -4.469 127 H LYS 19 HN LYS 19 -10.092 -9.954 -9.399 128 HA LYS 19 HA LYS 19 -7.340 -9.523 -8.734 129 1HB LYS 19 HB2 LYS 19 -8.113 -11.010 -10.586 130 2HB LYS 19 HB1 LYS 19 -8.632 -9.576 -11.464 131 1HG LYS 19 HG2 LYS 19 -6.027 -8.989 -10.831 132 2HG LYS 19 HG1 LYS 19 -5.975 -10.724 -11.154 133 1HD LYS 19 HD2 LYS 19 -6.303 -10.434 -13.353 134 2HD LYS 19 HD1 LYS 19 -7.570 -9.232 -13.093 135 1HE LYS 19 HE2 LYS 19 -5.615 -8.312 -14.284 136 2HE LYS 19 HE1 LYS 19 -5.915 -7.506 -12.746 137 1HZ LYS 19 HZ1 LYS 19 -3.529 -8.377 -13.489 138 2HZ LYS 19 HZ2 LYS 19 -4.078 -9.759 -12.682 139 3HZ LYS 19 HZ3 LYS 19 -4.005 -8.280 -11.868 140 H GLN 20 HN GLN 20 -9.984 -7.519 -9.567 141 HA GLN 20 HA GLN 20 -8.555 -5.362 -10.742 142 1HB GLN 20 HB2 GLN 20 -11.279 -5.776 -9.626 143 2HB GLN 20 HB1 GLN 20 -10.710 -4.120 -9.755 144 1HG GLN 20 HG2 GLN 20 -10.320 -4.427 -12.137 145 2HG GLN 20 HG1 GLN 20 -10.859 -6.100 -12.014 146 1HE2 GLN 20 HE21 GLN 20 -12.321 -5.260 -13.736 147 2HE2 GLN 20 HE22 GLN 20 -13.824 -4.570 -13.237 148 H ARG 21 HN ARG 21 -9.738 -6.019 -7.473 149 HA ARG 21 HA ARG 21 -8.926 -3.659 -6.246 150 1HB ARG 21 HB2 ARG 21 -9.363 -6.439 -5.222 151 2HB ARG 21 HB1 ARG 21 -8.863 -5.134 -4.153 152 1HG ARG 21 HG2 ARG 21 -10.862 -4.038 -4.321 153 2HG ARG 21 HG1 ARG 21 -11.200 -4.676 -5.929 154 1HD ARG 21 HD2 ARG 21 -12.715 -5.848 -4.668 155 2HD ARG 21 HD1 ARG 21 -11.346 -6.959 -4.664 156 HE ARG 21 HE ARG 21 -11.178 -5.217 -2.452 157 1HH1 ARG 21 HH11 ARG 21 -13.017 -7.942 -3.623 158 2HH1 ARG 21 HH12 ARG 21 -13.393 -8.528 -2.037 159 1HH2 ARG 21 HH21 ARG 21 -11.670 -5.985 -0.367 160 2HH2 ARG 21 HH22 ARG 21 -12.631 -7.416 -0.188 161 H GLN 22 HN GLN 22 -7.220 -6.798 -6.203 162 HA GLN 22 HA GLN 22 -4.871 -5.714 -5.029 163 1HB GLN 22 HB2 GLN 22 -5.507 -8.320 -6.385 164 2HB GLN 22 HB1 GLN 22 -3.868 -7.934 -5.883 165 1HG GLN 22 HG2 GLN 22 -4.478 -8.949 -3.986 166 2HG GLN 22 HG1 GLN 22 -5.201 -7.386 -3.610 167 1HE2 GLN 22 HE21 GLN 22 -6.875 -8.070 -2.390 168 2HE2 GLN 22 HE22 GLN 22 -8.163 -9.061 -2.977 169 H ALA 23 HN ALA 23 -6.096 -5.528 -8.174 170 HA ALA 23 HA ALA 23 -3.652 -5.602 -9.639 171 1HB ALA 23 HB1 ALA 23 -5.364 -4.053 -11.143 172 2HB ALA 23 HB2 ALA 23 -6.457 -5.069 -10.206 173 3HB ALA 23 HB3 ALA 23 -5.218 -5.809 -11.219 174 H LEU 24 HN LEU 24 -5.772 -2.768 -9.360 175 HA LEU 24 HA LEU 24 -3.717 -0.923 -9.811 176 1HB LEU 24 HB2 LEU 24 -6.499 -0.759 -8.795 177 2HB LEU 24 HB1 LEU 24 -5.471 0.637 -8.558 178 HG LEU 24 HG LEU 24 -6.814 0.885 -10.564 179 1HD1 LEU 24 HD11 LEU 24 -4.690 1.950 -10.671 180 2HD1 LEU 24 HD12 LEU 24 -4.975 1.183 -12.233 181 3HD1 LEU 24 HD13 LEU 24 -3.882 0.436 -11.072 182 1HD2 LEU 24 HD21 LEU 24 -7.306 -1.299 -11.225 183 2HD2 LEU 24 HD22 LEU 24 -5.603 -1.761 -11.277 184 3HD2 LEU 24 HD23 LEU 24 -6.260 -0.676 -12.502 185 H GLY 25 HN GLY 25 -4.918 -2.374 -6.836 186 1HA GLY 25 HA2 GLY 25 -3.726 -0.607 -5.003 187 2HA GLY 25 HA1 GLY 25 -4.081 -2.303 -4.690 188 H GLU 26 HN GLU 26 -2.417 -3.314 -6.829 189 HA GLU 26 HA GLU 26 0.027 -3.558 -5.466 190 1HB GLU 26 HB2 GLU 26 -1.040 -4.400 -8.085 191 2HB GLU 26 HB1 GLU 26 0.705 -4.206 -8.021 192 1HG GLU 26 HG2 GLU 26 0.063 -5.617 -5.714 193 2HG GLU 26 HG1 GLU 26 -0.956 -6.311 -6.976 194 H GLN 27 HN GLN 27 -1.171 -1.293 -7.838 195 HA GLN 27 HA GLN 27 1.239 -0.206 -8.729 196 1HB GLN 27 HB2 GLN 27 -1.543 0.811 -8.534 197 2HB GLN 27 HB1 GLN 27 -0.267 1.986 -8.796 198 1HG GLN 27 HG2 GLN 27 -0.060 -0.340 -10.534 199 2HG GLN 27 HG1 GLN 27 -1.562 0.561 -10.739 200 1HE2 GLN 27 HE21 GLN 27 0.896 0.236 -12.424 201 2HE2 GLN 27 HE22 GLN 27 1.381 1.850 -12.803 202 H LEU 28 HN LEU 28 -0.623 0.352 -5.813 203 HA LEU 28 HA LEU 28 0.688 2.601 -4.797 204 1HB LEU 28 HB2 LEU 28 -1.355 1.166 -3.911 205 2HB LEU 28 HB1 LEU 28 -0.108 0.391 -2.952 206 HG LEU 28 HG LEU 28 0.510 2.708 -2.111 207 1HD1 LEU 28 HD11 LEU 28 -2.230 3.487 -3.028 208 2HD1 LEU 28 HD12 LEU 28 -0.802 3.783 -4.023 209 3HD1 LEU 28 HD13 LEU 28 -0.924 4.507 -2.425 210 1HD2 LEU 28 HD21 LEU 28 -0.540 1.515 -0.479 211 2HD2 LEU 28 HD22 LEU 28 -1.953 1.181 -1.480 212 3HD2 LEU 28 HD23 LEU 28 -1.757 2.767 -0.734 213 H TYR 29 HN TYR 29 1.514 -0.827 -4.582 214 HA TYR 29 HA TYR 29 3.783 -0.385 -2.889 215 1HB TYR 29 HB2 TYR 29 2.627 -2.496 -2.764 216 2HB TYR 29 HB1 TYR 29 2.911 -2.804 -4.474 217 HD1 TYR 29 HD1 TYR 29 4.549 -4.349 -4.942 218 HD2 TYR 29 HD2 TYR 29 4.952 -1.953 -1.452 219 HE1 TYR 29 HE1 TYR 29 6.643 -5.514 -4.393 220 HE2 TYR 29 HE2 TYR 29 7.052 -3.109 -0.891 221 HH TYR 29 HH TYR 29 8.870 -4.627 -2.791 222 H LYS 30 HN LYS 30 3.440 -1.165 -6.368 223 HA LYS 30 HA LYS 30 6.183 -1.283 -6.949 224 1HB LYS 30 HB2 LYS 30 5.534 -0.861 -9.289 225 2HB LYS 30 HB1 LYS 30 4.543 -2.098 -8.527 226 1HG LYS 30 HG2 LYS 30 2.700 -0.722 -8.399 227 2HG LYS 30 HG1 LYS 30 3.649 0.748 -8.595 228 1HD LYS 30 HD2 LYS 30 3.586 -1.265 -10.797 229 2HD LYS 30 HD1 LYS 30 2.217 -0.173 -10.576 230 1HE LYS 30 HE2 LYS 30 3.491 1.718 -11.019 231 2HE LYS 30 HE1 LYS 30 5.010 0.893 -10.670 232 1HZ LYS 30 HZ1 LYS 30 3.708 -0.388 -12.819 233 2HZ LYS 30 HZ2 LYS 30 5.215 0.380 -12.800 234 3HZ LYS 30 HZ3 LYS 30 3.819 1.268 -13.148 235 H LYS 31 HN LYS 31 3.968 1.428 -6.784 236 HA LYS 31 HA LYS 31 5.580 3.374 -7.992 237 1HB LYS 31 HB2 LYS 31 3.072 3.398 -7.184 238 2HB LYS 31 HB1 LYS 31 3.767 4.092 -5.728 239 1HG LYS 31 HG2 LYS 31 3.894 6.082 -6.684 240 2HG LYS 31 HG1 LYS 31 4.838 5.421 -8.020 241 1HD LYS 31 HD2 LYS 31 2.550 4.584 -8.904 242 2HD LYS 31 HD1 LYS 31 1.871 5.775 -7.792 243 1HE LYS 31 HE2 LYS 31 2.088 6.781 -9.964 244 2HE LYS 31 HE1 LYS 31 3.269 7.513 -8.879 245 1HZ LYS 31 HZ1 LYS 31 3.771 5.486 -10.983 246 2HZ LYS 31 HZ2 LYS 31 4.922 5.919 -9.825 247 3HZ LYS 31 HZ3 LYS 31 4.353 7.072 -10.921 248 H VAL 32 HN VAL 32 5.379 2.261 -4.651 249 HA VAL 32 HA VAL 32 7.309 4.193 -3.708 250 HB VAL 32 HB VAL 32 7.239 2.945 -1.599 251 1HG1 VAL 32 HG11 VAL 32 4.748 3.910 -2.901 252 2HG1 VAL 32 HG12 VAL 32 5.690 4.639 -1.603 253 3HG1 VAL 32 HG13 VAL 32 4.670 3.240 -1.273 254 1HG2 VAL 32 HG21 VAL 32 5.116 1.201 -2.804 255 2HG2 VAL 32 HG22 VAL 32 5.889 1.060 -1.229 256 3HG2 VAL 32 HG23 VAL 32 6.801 0.710 -2.683 257 H SER 33 HN SER 33 7.268 0.733 -4.501 258 HA SER 33 HA SER 33 10.003 0.331 -3.789 259 1HB SER 33 HB2 SER 33 9.676 -1.862 -4.978 260 2HB SER 33 HB1 SER 33 8.504 -1.557 -3.701 261 HG SER 33 HG SER 33 7.470 -0.545 -5.881 262 H ALA 34 HN ALA 34 8.813 2.230 -6.044 263 HA ALA 34 HA ALA 34 9.980 1.492 -8.468 264 1HB ALA 34 HB1 ALA 34 9.777 3.913 -9.020 265 2HB ALA 34 HB2 ALA 34 9.293 4.204 -7.348 266 3HB ALA 34 HB3 ALA 34 8.296 3.191 -8.392 267 H LYS 35 HN LYS 35 11.506 2.252 -5.577 268 HA LYS 35 HA LYS 35 13.876 3.340 -6.915 269 1HB LYS 35 HB2 LYS 35 13.149 3.206 -3.982 270 2HB LYS 35 HB1 LYS 35 14.647 3.875 -4.613 271 1HG LYS 35 HG2 LYS 35 11.967 4.924 -5.454 272 2HG LYS 35 HG1 LYS 35 12.792 5.505 -4.006 273 1HD LYS 35 HD2 LYS 35 14.163 6.790 -5.209 274 2HD LYS 35 HD1 LYS 35 14.577 5.449 -6.279 275 1HE LYS 35 HE2 LYS 35 11.948 6.842 -6.570 276 2HE LYS 35 HE1 LYS 35 13.410 7.564 -7.243 277 1HZ LYS 35 HZ1 LYS 35 12.206 4.946 -7.922 278 2HZ LYS 35 HZ2 LYS 35 13.775 5.374 -8.383 279 3HZ LYS 35 HZ3 LYS 35 12.455 6.271 -8.943 280 H THR 36 HN THR 36 12.620 0.464 -5.558 281 HA THR 36 HA THR 36 14.803 -1.106 -6.281 282 HB THR 36 HB THR 36 16.031 -0.040 -4.485 283 HG1 THR 36 HG1 THR 36 16.727 -1.859 -3.559 284 1HG2 THR 36 HG21 THR 36 15.358 -0.237 -2.148 285 2HG2 THR 36 HG22 THR 36 13.825 -0.948 -2.656 286 3HG2 THR 36 HG23 THR 36 14.204 0.720 -3.081 287 H SER 37 HN SER 37 14.665 -3.354 -5.315 288 HA SER 37 HA SER 37 11.851 -4.094 -5.110 289 1HB SER 37 HB2 SER 37 14.328 -5.807 -5.426 290 2HB SER 37 HB1 SER 37 12.668 -6.404 -5.440 291 HG SER 37 HG SER 37 12.295 -5.225 -7.313 292 H ASN 38 HN ASN 38 12.941 -2.787 -2.865 293 HA ASN 38 HA ASN 38 13.620 -4.739 -0.863 294 1HB ASN 38 HB2 ASN 38 13.504 -1.833 -1.050 295 2HB ASN 38 HB1 ASN 38 12.885 -2.440 0.471 296 1HD2 ASN 38 HD21 ASN 38 15.659 -2.308 -1.624 297 2HD2 ASN 38 HD22 ASN 38 16.829 -2.711 -0.420 298 H GLU 39 HN GLU 39 11.967 -6.183 -0.581 299 HA GLU 39 HA GLU 39 9.237 -5.574 -0.536 300 1HB GLU 39 HB2 GLU 39 10.861 -7.864 -0.176 301 2HB GLU 39 HB1 GLU 39 9.792 -7.777 1.216 302 1HG GLU 39 HG2 GLU 39 7.868 -7.596 -0.336 303 2HG GLU 39 HG1 GLU 39 8.984 -7.831 -1.680 304 H GLU 40 HN GLU 40 11.692 -5.292 1.908 305 HA GLU 40 HA GLU 40 9.798 -4.925 4.063 306 1HB GLU 40 HB2 GLU 40 12.800 -4.763 3.884 307 2HB GLU 40 HB1 GLU 40 11.926 -4.319 5.344 308 1HG GLU 40 HG2 GLU 40 11.699 -7.009 4.021 309 2HG GLU 40 HG1 GLU 40 12.847 -6.642 5.307 310 H ALA 41 HN ALA 41 11.544 -2.947 1.818 311 HA ALA 41 HA ALA 41 11.295 -0.491 3.303 312 1HB ALA 41 HB1 ALA 41 13.010 -1.129 1.467 313 2HB ALA 41 HB2 ALA 41 12.408 0.511 1.575 314 3HB ALA 41 HB3 ALA 41 11.756 -0.578 0.361 315 H ALA 42 HN ALA 42 10.026 -1.380 0.132 316 HA ALA 42 HA ALA 42 8.072 0.616 0.049 317 1HB ALA 42 HB1 ALA 42 8.637 -0.184 -2.023 318 2HB ALA 42 HB2 ALA 42 7.106 -1.015 -1.752 319 3HB ALA 42 HB3 ALA 42 8.630 -1.866 -1.496 320 H GLY 43 HN GLY 43 7.967 -2.733 1.167 321 1HA GLY 43 HA2 GLY 43 5.157 -2.914 1.431 322 2HA GLY 43 HA1 GLY 43 6.336 -3.908 2.276 323 H LYS 44 HN LYS 44 7.651 -1.523 3.429 324 HA LYS 44 HA LYS 44 6.083 -1.358 5.815 325 1HB LYS 44 HB2 LYS 44 8.758 -0.808 5.066 326 2HB LYS 44 HB1 LYS 44 8.097 0.697 5.687 327 1HG LYS 44 HG2 LYS 44 8.371 -0.026 7.760 328 2HG LYS 44 HG1 LYS 44 7.284 -1.379 7.439 329 1HD LYS 44 HD2 LYS 44 9.914 -1.820 6.310 330 2HD LYS 44 HD1 LYS 44 9.993 -1.524 8.039 331 1HE LYS 44 HE2 LYS 44 7.825 -3.314 7.354 332 2HE LYS 44 HE1 LYS 44 9.385 -3.922 6.801 333 1HZ LYS 44 HZ1 LYS 44 8.961 -2.941 9.557 334 2HZ LYS 44 HZ2 LYS 44 10.236 -3.883 8.968 335 3HZ LYS 44 HZ3 LYS 44 8.690 -4.553 9.121 336 H ILE 45 HN ILE 45 7.166 1.139 3.517 337 HA ILE 45 HA ILE 45 5.470 3.128 4.567 338 HB ILE 45 HB ILE 45 6.012 4.437 2.595 339 1HG1 ILE 45 HG12 ILE 45 7.274 1.901 1.557 340 2HG1 ILE 45 HG11 ILE 45 5.894 2.753 0.864 341 1HG2 ILE 45 HG21 ILE 45 8.560 3.050 3.272 342 2HG2 ILE 45 HG22 ILE 45 7.662 3.886 4.539 343 3HG2 ILE 45 HG23 ILE 45 8.223 4.773 3.122 344 1HD1 ILE 45 HD11 ILE 45 8.167 4.497 1.164 345 2HD1 ILE 45 HD12 ILE 45 7.208 4.128 -0.264 346 3HD1 ILE 45 HD13 ILE 45 8.549 3.078 0.189 347 H THR 46 HN THR 46 5.064 0.787 1.956 348 HA THR 46 HA THR 46 2.705 1.839 0.861 349 HB THR 46 HB THR 46 3.669 -1.021 1.039 350 HG1 THR 46 HG1 THR 46 4.030 1.094 -0.730 351 1HG2 THR 46 HG21 THR 46 2.130 -1.579 -0.725 352 2HG2 THR 46 HG22 THR 46 1.494 0.065 -0.732 353 3HG2 THR 46 HG23 THR 46 1.241 -0.970 0.669 354 H GLY 47 HN GLY 47 3.312 -0.060 3.736 355 1HA GLY 47 HA2 GLY 47 0.684 -0.906 4.265 356 2HA GLY 47 HA1 GLY 47 1.949 -0.684 5.467 357 H MET 48 HN MET 48 2.346 2.133 4.883 358 HA MET 48 HA MET 48 0.340 3.200 6.602 359 1HB MET 48 HB2 MET 48 2.775 4.203 5.284 360 2HB MET 48 HB1 MET 48 1.525 5.413 5.537 361 1HG MET 48 HG2 MET 48 1.465 4.818 7.922 362 2HG MET 48 HG1 MET 48 2.779 3.675 7.646 363 1HE MET 48 HE1 MET 48 5.726 5.445 6.742 364 2HE MET 48 HE2 MET 48 4.870 3.983 7.221 365 3HE MET 48 HE3 MET 48 5.560 5.043 8.450 366 H ILE 49 HN ILE 49 1.099 3.729 3.150 367 HA ILE 49 HA ILE 49 -1.220 5.304 2.676 368 HB ILE 49 HB ILE 49 0.220 3.714 0.563 369 1HG1 ILE 49 HG12 ILE 49 1.272 6.306 0.557 370 2HG1 ILE 49 HG11 ILE 49 1.268 5.834 2.254 371 1HG2 ILE 49 HG21 ILE 49 -1.938 5.509 0.533 372 2HG2 ILE 49 HG22 ILE 49 -1.071 4.838 -0.843 373 3HG2 ILE 49 HG23 ILE 49 -0.566 6.380 -0.155 374 1HD1 ILE 49 HD11 ILE 49 2.739 4.632 -0.042 375 2HD1 ILE 49 HD12 ILE 49 2.364 3.657 1.379 376 3HD1 ILE 49 HD13 ILE 49 3.333 5.120 1.545 377 H LEU 50 HN LEU 50 -0.860 2.098 3.377 378 HA LEU 50 HA LEU 50 -2.822 0.919 1.674 379 1HB LEU 50 HB2 LEU 50 -0.945 0.037 3.575 380 2HB LEU 50 HB1 LEU 50 -2.510 -0.461 4.188 381 HG LEU 50 HG LEU 50 -1.415 -2.204 2.835 382 1HD1 LEU 50 HD11 LEU 50 -3.918 -1.086 1.584 383 2HD1 LEU 50 HD12 LEU 50 -3.850 -2.123 3.009 384 3HD1 LEU 50 HD13 LEU 50 -3.330 -2.744 1.442 385 1HD2 LEU 50 HD21 LEU 50 -1.130 0.015 0.971 386 2HD2 LEU 50 HD22 LEU 50 -1.792 -1.439 0.222 387 3HD2 LEU 50 HD23 LEU 50 -0.250 -1.508 1.070 388 H ASP 51 HN ASP 51 -3.383 3.359 3.564 389 HA ASP 51 HA ASP 51 -5.517 2.383 5.232 390 1HB ASP 51 HB2 ASP 51 -3.933 4.771 5.050 391 2HB ASP 51 HB1 ASP 51 -5.638 5.207 5.018 392 H LEU 52 HN LEU 52 -5.191 3.557 2.000 393 HA LEU 52 HA LEU 52 -7.962 4.370 1.804 394 1HB LEU 52 HB2 LEU 52 -5.729 4.143 -0.202 395 2HB LEU 52 HB1 LEU 52 -7.375 4.520 -0.676 396 HG LEU 52 HG LEU 52 -7.328 6.547 0.689 397 1HD1 LEU 52 HD11 LEU 52 -5.042 7.254 1.555 398 2HD1 LEU 52 HD12 LEU 52 -4.583 5.558 1.401 399 3HD1 LEU 52 HD13 LEU 52 -5.900 6.021 2.478 400 1HD2 LEU 52 HD21 LEU 52 -6.674 6.803 -1.588 401 2HD2 LEU 52 HD22 LEU 52 -5.051 6.205 -1.247 402 3HD2 LEU 52 HD23 LEU 52 -5.568 7.763 -0.605 403 HA PRO 53 HA PRO 53 -9.620 0.304 1.167 404 1HB PRO 53 HB2 PRO 53 -11.480 1.747 -0.658 405 2HB PRO 53 HB1 PRO 53 -11.839 0.634 0.666 406 1HG PRO 53 HG2 PRO 53 -12.172 3.273 0.945 407 2HG PRO 53 HG1 PRO 53 -11.603 2.262 2.285 408 1HD PRO 53 HD2 PRO 53 -10.092 4.170 0.576 409 2HD PRO 53 HD1 PRO 53 -9.832 3.719 2.272 410 HA PRO 54 HA PRO 54 -8.102 -1.462 -2.548 411 1HB PRO 54 HB2 PRO 54 -10.881 -2.325 -3.207 412 2HB PRO 54 HB1 PRO 54 -9.391 -3.274 -3.142 413 1HG PRO 54 HG2 PRO 54 -11.178 -3.432 -1.179 414 2HG PRO 54 HG1 PRO 54 -9.440 -3.440 -0.828 415 1HD PRO 54 HD2 PRO 54 -11.435 -1.252 -0.480 416 2HD PRO 54 HD1 PRO 54 -10.015 -1.656 0.507 417 H GLN 55 HN GLN 55 -11.397 -0.358 -3.390 418 HA GLN 55 HA GLN 55 -10.485 0.545 -5.956 419 1HB GLN 55 HB2 GLN 55 -12.764 1.230 -6.357 420 2HB GLN 55 HB1 GLN 55 -12.746 -0.372 -5.637 421 1HG GLN 55 HG2 GLN 55 -13.562 0.397 -3.597 422 2HG GLN 55 HG1 GLN 55 -13.120 2.067 -3.946 423 1HE2 GLN 55 HE21 GLN 55 -15.553 -0.283 -4.080 424 2HE2 GLN 55 HE22 GLN 55 -16.736 0.640 -4.935 425 H GLU 56 HN GLU 56 -11.322 2.090 -2.903 426 HA GLU 56 HA GLU 56 -11.309 4.754 -3.818 427 1HB GLU 56 HB2 GLU 56 -10.935 3.507 -1.114 428 2HB GLU 56 HB1 GLU 56 -10.791 5.243 -1.338 429 1HG GLU 56 HG2 GLU 56 -13.153 4.687 -2.597 430 2HG GLU 56 HG1 GLU 56 -13.161 3.553 -1.247 431 H VAL 57 HN VAL 57 -8.693 2.595 -3.199 432 HA VAL 57 HA VAL 57 -6.775 4.738 -2.805 433 HB VAL 57 HB VAL 57 -6.515 2.582 -1.607 434 1HG1 VAL 57 HG11 VAL 57 -7.139 1.395 -3.945 435 2HG1 VAL 57 HG12 VAL 57 -6.328 0.581 -2.611 436 3HG1 VAL 57 HG13 VAL 57 -5.387 1.223 -3.957 437 1HG2 VAL 57 HG21 VAL 57 -4.596 4.044 -1.938 438 2HG2 VAL 57 HG22 VAL 57 -4.260 3.276 -3.488 439 3HG2 VAL 57 HG23 VAL 57 -4.108 2.351 -1.993 440 H PHE 58 HN PHE 58 -7.827 2.595 -5.363 441 HA PHE 58 HA PHE 58 -5.838 2.692 -7.214 442 1HB PHE 58 HB2 PHE 58 -8.807 2.940 -7.670 443 2HB PHE 58 HB1 PHE 58 -7.648 2.697 -8.965 444 HD1 PHE 58 HD1 PHE 58 -9.383 0.736 -9.215 445 HD2 PHE 58 HD2 PHE 58 -6.474 1.024 -6.123 446 HE1 PHE 58 HE1 PHE 58 -9.496 -1.694 -8.882 447 HE2 PHE 58 HE2 PHE 58 -6.583 -1.404 -5.787 448 HZ PHE 58 HZ PHE 58 -8.089 -2.753 -7.172 449 HA PRO 59 HA PRO 59 -7.483 6.983 -8.958 450 1HB PRO 59 HB2 PRO 59 -8.635 8.034 -6.422 451 2HB PRO 59 HB1 PRO 59 -9.190 8.250 -8.086 452 1HG PRO 59 HG2 PRO 59 -10.475 6.604 -6.442 453 2HG PRO 59 HG1 PRO 59 -10.230 6.173 -8.146 454 1HD PRO 59 HD2 PRO 59 -8.789 5.197 -5.714 455 2HD PRO 59 HD1 PRO 59 -9.298 4.310 -7.162 456 H LEU 60 HN LEU 60 -6.243 6.407 -5.736 457 HA LEU 60 HA LEU 60 -4.682 8.856 -5.737 458 1HB LEU 60 HB2 LEU 60 -5.507 8.288 -3.607 459 2HB LEU 60 HB1 LEU 60 -5.038 6.607 -3.780 460 HG LEU 60 HG LEU 60 -2.685 8.223 -3.950 461 1HD1 LEU 60 HD11 LEU 60 -4.493 8.882 -1.676 462 2HD1 LEU 60 HD12 LEU 60 -3.678 9.962 -2.802 463 3HD1 LEU 60 HD13 LEU 60 -2.741 9.075 -1.607 464 1HD2 LEU 60 HD21 LEU 60 -1.869 6.531 -2.740 465 2HD2 LEU 60 HD22 LEU 60 -3.464 5.795 -2.897 466 3HD2 LEU 60 HD23 LEU 60 -3.074 6.756 -1.472 467 H LEU 61 HN LEU 61 -4.024 5.360 -5.635 468 HA LEU 61 HA LEU 61 -1.243 5.588 -5.817 469 1HB LEU 61 HB2 LEU 61 -1.325 3.188 -6.559 470 2HB LEU 61 HB1 LEU 61 -2.112 3.549 -5.042 471 HG LEU 61 HG LEU 61 -4.278 3.673 -6.461 472 1HD1 LEU 61 HD11 LEU 61 -2.307 2.623 -8.365 473 2HD1 LEU 61 HD12 LEU 61 -3.848 3.430 -8.649 474 3HD1 LEU 61 HD13 LEU 61 -3.812 1.711 -8.258 475 1HD2 LEU 61 HD21 LEU 61 -2.949 1.015 -5.986 476 2HD2 LEU 61 HD22 LEU 61 -4.675 1.354 -6.011 477 3HD2 LEU 61 HD23 LEU 61 -3.668 1.999 -4.720 478 H GLU 62 HN GLU 62 -3.454 6.390 -8.188 479 HA GLU 62 HA GLU 62 -1.622 5.656 -10.359 480 1HB GLU 62 HB2 GLU 62 -3.494 6.104 -11.867 481 2HB GLU 62 HB1 GLU 62 -3.940 4.928 -10.637 482 1HG GLU 62 HG2 GLU 62 -5.720 6.169 -10.216 483 2HG GLU 62 HG1 GLU 62 -4.631 7.379 -9.537 484 H SER 63 HN SER 63 -2.509 8.279 -8.416 485 HA SER 63 HA SER 63 -1.680 10.237 -10.450 486 1HB SER 63 HB2 SER 63 -3.853 10.669 -9.352 487 2HB SER 63 HB1 SER 63 -3.046 10.699 -7.784 488 HG SER 63 HG SER 63 -2.817 12.745 -8.200 489 H ASP 64 HN ASP 64 0.284 11.107 -10.335 490 HA ASP 64 HA ASP 64 2.189 10.333 -8.436 491 1HB ASP 64 HB2 ASP 64 3.622 12.092 -9.415 492 2HB ASP 64 HB1 ASP 64 2.837 11.116 -10.653 493 H GLU 65 HN GLU 65 0.506 13.458 -8.777 494 HA GLU 65 HA GLU 65 1.629 14.740 -6.576 495 1HB GLU 65 HB2 GLU 65 -1.144 15.052 -7.731 496 2HB GLU 65 HB1 GLU 65 -0.403 16.167 -6.592 497 1HG GLU 65 HG2 GLU 65 0.614 17.245 -8.232 498 2HG GLU 65 HG1 GLU 65 1.354 15.753 -8.811 499 H LEU 66 HN LEU 66 -1.424 12.913 -6.740 500 HA LEU 66 HA LEU 66 -2.083 13.192 -4.033 501 1HB LEU 66 HB2 LEU 66 -3.127 11.867 -6.307 502 2HB LEU 66 HB1 LEU 66 -3.037 10.687 -5.011 503 HG LEU 66 HG LEU 66 -5.204 11.700 -4.945 504 1HD1 LEU 66 HD11 LEU 66 -3.502 11.570 -2.825 505 2HD1 LEU 66 HD12 LEU 66 -5.229 11.917 -2.718 506 3HD1 LEU 66 HD13 LEU 66 -4.063 13.242 -2.735 507 1HD2 LEU 66 HD21 LEU 66 -4.295 14.423 -4.337 508 2HD2 LEU 66 HD22 LEU 66 -5.646 13.870 -5.327 509 3HD2 LEU 66 HD23 LEU 66 -4.016 13.911 -6.002 510 H PHE 67 HN PHE 67 0.058 10.982 -5.662 511 HA PHE 67 HA PHE 67 0.286 9.157 -3.473 512 1HB PHE 67 HB2 PHE 67 0.841 8.765 -5.997 513 2HB PHE 67 HB1 PHE 67 2.412 9.442 -5.570 514 HD1 PHE 67 HD1 PHE 67 4.073 7.966 -4.880 515 HD2 PHE 67 HD2 PHE 67 -0.016 6.913 -4.338 516 HE1 PHE 67 HE1 PHE 67 4.752 5.766 -4.011 517 HE2 PHE 67 HE2 PHE 67 0.673 4.726 -3.475 518 HZ PHE 67 HZ PHE 67 3.027 4.142 -3.309 519 H GLU 68 HN GLU 68 2.524 11.576 -4.843 520 HA GLU 68 HA GLU 68 4.622 11.424 -3.150 521 1HB GLU 68 HB2 GLU 68 3.326 13.953 -4.171 522 2HB GLU 68 HB1 GLU 68 4.940 13.870 -3.477 523 1HG GLU 68 HG2 GLU 68 5.259 12.026 -5.339 524 2HG GLU 68 HG1 GLU 68 3.948 12.920 -6.104 525 H GLN 69 HN GLN 69 1.616 13.231 -2.447 526 HA GLN 69 HA GLN 69 2.410 14.272 0.018 527 1HB GLN 69 HB2 GLN 69 -0.171 13.800 -1.342 528 2HB GLN 69 HB1 GLN 69 -0.252 13.957 0.407 529 1HG GLN 69 HG2 GLN 69 0.902 15.965 -1.518 530 2HG GLN 69 HG1 GLN 69 -0.635 16.089 -0.664 531 1HE2 GLN 69 HE21 GLN 69 -0.559 17.455 0.947 532 2HE2 GLN 69 HE22 GLN 69 0.791 17.745 1.985 533 H HIS 70 HN HIS 70 0.312 11.442 -0.497 534 HA HIS 70 HA HIS 70 0.408 10.580 2.191 535 1HB HIS 70 HB2 HIS 70 -0.593 9.497 -0.350 536 2HB HIS 70 HB1 HIS 70 -0.074 8.260 0.791 537 HD2 HIS 70 HD2 HIS 70 -3.006 10.671 0.211 538 HE1 HIS 70 HE1 HIS 70 -3.604 8.831 3.993 539 HE2 HIS 70 HE2 HIS 70 -4.648 10.216 2.163 540 H TYR 71 HN TYR 71 2.167 9.415 -0.672 541 HA TYR 71 HA TYR 71 3.772 7.536 0.637 542 1HB TYR 71 HB2 TYR 71 3.773 7.306 -1.665 543 2HB TYR 71 HB1 TYR 71 3.923 9.033 -1.947 544 HD1 TYR 71 HD1 TYR 71 5.901 9.764 -2.831 545 HD2 TYR 71 HD2 TYR 71 5.928 6.266 -0.412 546 HE1 TYR 71 HE1 TYR 71 8.302 9.496 -3.260 547 HE2 TYR 71 HE2 TYR 71 8.334 5.986 -0.833 548 HH TYR 71 HH TYR 71 10.056 8.033 -3.115 549 H LYS 72 HN LYS 72 3.816 10.933 0.846 550 HA LYS 72 HA LYS 72 6.591 11.368 1.283 551 1HB LYS 72 HB2 LYS 72 4.297 12.963 1.084 552 2HB LYS 72 HB1 LYS 72 4.892 13.231 2.712 553 1HG LYS 72 HG2 LYS 72 6.849 13.325 0.491 554 2HG LYS 72 HG1 LYS 72 5.715 14.667 0.660 555 1HD LYS 72 HD2 LYS 72 6.474 15.155 2.847 556 2HD LYS 72 HD1 LYS 72 7.366 13.636 2.954 557 1HE LYS 72 HE2 LYS 72 9.118 14.422 1.739 558 2HE LYS 72 HE1 LYS 72 8.099 15.463 0.745 559 1HZ LYS 72 HZ1 LYS 72 8.245 17.166 2.214 560 2HZ LYS 72 HZ2 LYS 72 9.721 16.421 2.577 561 3HZ LYS 72 HZ3 LYS 72 8.376 16.159 3.568 562 H GLU 73 HN GLU 73 3.851 11.259 3.565 563 HA GLU 73 HA GLU 73 5.249 11.414 5.941 564 1HB GLU 73 HB2 GLU 73 2.728 9.905 5.251 565 2HB GLU 73 HB1 GLU 73 3.335 10.039 6.895 566 1HG GLU 73 HG2 GLU 73 2.861 12.497 5.270 567 2HG GLU 73 HG1 GLU 73 1.514 11.669 6.048 568 H ALA 74 HN ALA 74 4.618 8.630 3.897 569 HA ALA 74 HA ALA 74 5.801 6.780 5.724 570 1HB ALA 74 HB1 ALA 74 5.226 6.268 2.826 571 2HB ALA 74 HB2 ALA 74 3.966 6.279 4.059 572 3HB ALA 74 HB3 ALA 74 5.283 5.114 4.159 573 H SER 75 HN SER 75 6.970 8.817 3.169 574 HA SER 75 HA SER 75 9.299 7.338 2.537 575 1HB SER 75 HB2 SER 75 8.692 9.053 1.016 576 2HB SER 75 HB1 SER 75 8.636 10.272 2.294 577 HG SER 75 HG SER 75 10.882 10.110 2.479 578 H ALA 76 HN ALA 76 8.731 10.054 4.755 579 HA ALA 76 HA ALA 76 11.230 10.352 5.856 580 1HB ALA 76 HB1 ALA 76 8.475 10.815 6.794 581 2HB ALA 76 HB2 ALA 76 9.868 11.896 6.791 582 3HB ALA 76 HB3 ALA 76 9.693 10.685 8.062 583 H ALA 77 HN ALA 77 8.754 7.977 6.668 584 HA ALA 77 HA ALA 77 10.332 6.723 8.730 585 1HB ALA 77 HB1 ALA 77 7.644 6.646 7.926 586 2HB ALA 77 HB2 ALA 77 8.384 5.823 9.298 587 3HB ALA 77 HB3 ALA 77 8.262 5.005 7.741 588 H TYR 78 HN TYR 78 10.017 6.467 5.342 589 HA TYR 78 HA TYR 78 10.774 3.850 4.769 590 1HB TYR 78 HB2 TYR 78 10.068 5.765 3.191 591 2HB TYR 78 HB1 TYR 78 11.758 6.238 3.211 592 HD1 TYR 78 HD1 TYR 78 9.842 5.237 0.918 593 HD2 TYR 78 HD2 TYR 78 12.940 3.412 3.186 594 HE1 TYR 78 HE1 TYR 78 10.278 3.689 -0.941 595 HE2 TYR 78 HE2 TYR 78 13.382 1.859 1.354 596 HH TYR 78 HH TYR 78 11.613 1.017 -0.835 597 H GLU 79 HN GLU 79 12.834 6.730 5.163 598 HA GLU 79 HA GLU 79 15.286 5.361 4.902 599 1HB GLU 79 HB2 GLU 79 14.465 8.037 5.947 600 2HB GLU 79 HB1 GLU 79 16.107 7.476 6.231 601 1HG GLU 79 HG2 GLU 79 16.622 7.446 3.959 602 2HG GLU 79 HG1 GLU 79 14.924 7.453 3.483 603 H SER 80 HN SER 80 13.598 6.517 7.828 604 HA SER 80 HA SER 80 15.423 5.544 9.673 605 1HB SER 80 HB2 SER 80 12.901 6.815 9.750 606 2HB SER 80 HB1 SER 80 12.771 5.374 10.758 607 HG SER 80 HG SER 80 14.642 6.090 11.871 608 H PHE 81 HN PHE 81 12.610 3.981 8.212 609 HA PHE 81 HA PHE 81 12.756 1.597 9.740 610 1HB PHE 81 HB2 PHE 81 11.251 2.556 7.405 611 2HB PHE 81 HB1 PHE 81 11.549 0.825 7.405 612 HD1 PHE 81 HD1 PHE 81 9.580 3.495 8.743 613 HD2 PHE 81 HD2 PHE 81 10.824 -0.517 9.416 614 HE1 PHE 81 HE1 PHE 81 7.685 3.167 10.277 615 HE2 PHE 81 HE2 PHE 81 8.929 -0.853 10.948 616 HZ PHE 81 HZ PHE 81 7.357 0.989 11.380 617 H LYS 82 HN LYS 82 13.769 2.366 6.424 618 HA LYS 82 HA LYS 82 14.933 -0.098 5.815 619 1HB LYS 82 HB2 LYS 82 15.148 2.665 4.751 620 2HB LYS 82 HB1 LYS 82 16.394 1.515 4.284 621 1HG LYS 82 HG2 LYS 82 13.494 0.840 4.027 622 2HG LYS 82 HG1 LYS 82 14.350 1.751 2.782 623 1HD LYS 82 HD2 LYS 82 15.492 -0.802 3.825 624 2HD LYS 82 HD1 LYS 82 14.213 -0.840 2.616 625 1HE LYS 82 HE2 LYS 82 15.752 -0.518 1.040 626 2HE LYS 82 HE1 LYS 82 16.079 1.069 1.735 627 1HZ LYS 82 HZ1 LYS 82 17.331 -1.177 3.079 628 2HZ LYS 82 HZ2 LYS 82 17.951 0.354 2.716 629 3HZ LYS 82 HZ3 LYS 82 17.908 -0.844 1.523 630 H LYS 83 HN LYS 83 16.542 2.917 6.791 631 HA LYS 83 HA LYS 83 19.113 1.879 7.062 632 1HB LYS 83 HB2 LYS 83 17.825 4.187 8.523 633 2HB LYS 83 HB1 LYS 83 19.555 3.883 8.445 634 1HG LYS 83 HG2 LYS 83 18.070 4.091 5.885 635 2HG LYS 83 HG1 LYS 83 18.340 5.570 6.809 636 1HD LYS 83 HD2 LYS 83 20.782 4.168 6.809 637 2HD LYS 83 HD1 LYS 83 20.170 4.104 5.156 638 1HE LYS 83 HE2 LYS 83 21.179 6.114 4.989 639 2HE LYS 83 HE1 LYS 83 19.693 6.691 5.745 640 1HZ LYS 83 HZ1 LYS 83 21.202 7.609 7.144 641 2HZ LYS 83 HZ2 LYS 83 22.369 6.414 6.879 642 3HZ LYS 83 HZ3 LYS 83 21.063 6.106 7.908 643 H GLU 84 HN GLU 84 16.358 1.521 9.094 644 HA GLU 84 HA GLU 84 17.573 1.123 11.584 645 1HB GLU 84 HB2 GLU 84 14.981 0.936 10.527 646 2HB GLU 84 HB1 GLU 84 15.323 -0.656 11.193 647 1HG GLU 84 HG2 GLU 84 15.521 1.963 12.663 648 2HG GLU 84 HG1 GLU 84 14.241 0.763 12.834 649 H GLN 85 HN GLN 85 17.341 -0.927 8.782 650 HA GLN 85 HA GLN 85 17.992 -3.371 10.095 651 1HB GLN 85 HB2 GLN 85 18.379 -2.651 7.183 652 2HB GLN 85 HB1 GLN 85 18.319 -4.271 7.863 653 1HG GLN 85 HG2 GLN 85 15.979 -3.847 8.549 654 2HG GLN 85 HG1 GLN 85 16.061 -2.287 7.731 655 1HE2 GLN 85 HE21 GLN 85 16.267 -5.767 7.248 656 2HE2 GLN 85 HE22 GLN 85 15.787 -5.752 5.589 657 H GLU 86 HN GLU 86 19.875 -3.819 11.014 658 HA GLU 86 HA GLU 86 22.270 -2.377 10.188 659 1HB GLU 86 HB2 GLU 86 23.291 -3.292 12.197 660 2HB GLU 86 HB1 GLU 86 21.746 -2.549 12.586 661 1HG GLU 86 HG2 GLU 86 21.193 -5.243 12.034 662 2HG GLU 86 HG1 GLU 86 22.641 -5.232 13.038 663 H GLN 87 HN GLN 87 20.990 -4.545 8.573 664 HA GLN 87 HA GLN 87 23.138 -6.543 8.562 665 1HB GLN 87 HB2 GLN 87 20.473 -6.955 8.551 666 2HB GLN 87 HB1 GLN 87 20.763 -6.878 6.819 667 1HG GLN 87 HG2 GLN 87 22.508 -8.612 8.490 668 2HG GLN 87 HG1 GLN 87 20.869 -9.147 8.121 669 1HE2 GLN 87 HE21 GLN 87 23.866 -9.625 7.214 670 2HE2 GLN 87 HE22 GLN 87 23.680 -9.874 5.514 671 H GLN 88 HN GLN 88 21.648 -4.001 6.719 672 HA GLN 88 HA GLN 88 23.203 -4.676 4.341 673 1HB GLN 88 HB2 GLN 88 20.737 -3.261 4.853 674 2HB GLN 88 HB1 GLN 88 21.828 -2.270 3.894 675 1HG GLN 88 HG2 GLN 88 22.044 -4.663 2.636 676 2HG GLN 88 HG1 GLN 88 20.368 -4.703 3.182 677 1HE2 GLN 88 HE21 GLN 88 19.975 -4.691 0.841 678 2HE2 GLN 88 HE22 GLN 88 19.891 -3.169 0.029 679 H THR 89 HN THR 89 25.270 -4.217 5.252 680 HA THR 89 HA THR 89 25.811 -1.374 5.754 681 HB THR 89 HB THR 89 28.092 -2.404 6.509 682 HG1 THR 89 HG1 THR 89 27.342 -4.590 7.479 683 1HG2 THR 89 HG21 THR 89 27.429 -2.184 8.634 684 2HG2 THR 89 HG22 THR 89 26.057 -3.273 8.431 685 3HG2 THR 89 HG23 THR 89 25.934 -1.593 7.908 686 H GLU 90 HN GLU 90 25.882 -0.671 3.620 687 HA GLU 90 HA GLU 90 27.552 -1.949 1.669 688 1HB GLU 90 HB2 GLU 90 25.430 -0.592 1.228 689 2HB GLU 90 HB1 GLU 90 26.422 0.837 1.483 690 1HG GLU 90 HG2 GLU 90 27.540 0.583 -0.472 691 2HG GLU 90 HG1 GLU 90 27.408 -1.174 -0.452 692 H GLN 91 HN GLN 91 27.655 1.380 2.955 693 HA GLN 91 HA GLN 91 30.461 1.569 2.281 694 1HB GLN 91 HB2 GLN 91 28.328 3.437 3.106 695 2HB GLN 91 HB1 GLN 91 29.949 3.857 3.642 696 1HG GLN 91 HG2 GLN 91 30.348 4.732 1.656 697 2HG GLN 91 HG1 GLN 91 30.176 3.130 0.940 698 1HE2 GLN 91 HE21 GLN 91 29.366 4.155 -0.940 699 2HE2 GLN 91 HE22 GLN 91 27.730 4.706 -1.015 700 H ALA 92 HN ALA 92 31.921 2.636 3.975 701 HA ALA 92 HA ALA 92 32.144 0.839 6.174 702 1HB ALA 92 HB1 ALA 92 33.713 3.111 5.100 703 2HB ALA 92 HB2 ALA 92 34.226 1.479 5.529 704 3HB ALA 92 HB3 ALA 92 33.964 2.682 6.792 Start of MODEL 29 1 1H GLY 1 HT1 GLY 1 -30.092 -13.923 10.374 2 2H GLY 1 HT2 GLY 1 -30.850 -15.287 9.721 3 3H GLY 1 HT3 GLY 1 -31.782 -14.011 10.324 4 1HA GLY 1 HA1 GLY 1 -31.449 -12.685 8.526 5 2HA GLY 1 HA2 GLY 1 -29.879 -13.401 8.193 6 HA PRO 2 HA PRO 2 -33.117 -16.531 6.414 7 1HB PRO 2 HB2 PRO 2 -35.702 -15.677 6.298 8 2HB PRO 2 HB1 PRO 2 -35.046 -16.597 7.657 9 1HG PRO 2 HG2 PRO 2 -35.493 -13.651 7.403 10 2HG PRO 2 HG1 PRO 2 -35.802 -14.716 8.787 11 1HD PRO 2 HD2 PRO 2 -33.618 -13.121 8.630 12 2HD PRO 2 HD1 PRO 2 -33.598 -14.691 9.458 13 H LEU 3 HN LEU 3 -33.482 -16.679 4.236 14 HA LEU 3 HA LEU 3 -33.044 -14.290 2.683 15 1HB LEU 3 HB2 LEU 3 -33.215 -15.954 0.747 16 2HB LEU 3 HB1 LEU 3 -31.867 -16.121 1.855 17 HG LEU 3 HG LEU 3 -34.242 -17.734 2.532 18 1HD1 LEU 3 HD11 LEU 3 -33.916 -17.721 -0.060 19 2HD1 LEU 3 HD12 LEU 3 -34.168 -19.240 0.799 20 3HD1 LEU 3 HD13 LEU 3 -32.543 -18.763 0.309 21 1HD2 LEU 3 HD21 LEU 3 -31.270 -17.981 2.577 22 2HD2 LEU 3 HD22 LEU 3 -32.256 -19.442 2.616 23 3HD2 LEU 3 HD23 LEU 3 -32.439 -18.223 3.874 24 H GLY 4 HN GLY 4 -34.523 -13.116 1.619 25 1HA GLY 4 HA2 GLY 4 -37.318 -13.771 1.973 26 2HA GLY 4 HA1 GLY 4 -36.671 -12.309 1.244 27 H SER 5 HN SER 5 -38.262 -12.486 -0.403 28 HA SER 5 HA SER 5 -38.327 -14.775 -2.121 29 1HB SER 5 HB2 SER 5 -39.448 -12.150 -2.994 30 2HB SER 5 HB1 SER 5 -40.118 -13.771 -3.164 31 HG SER 5 HG SER 5 -40.422 -11.954 -1.140 32 HA PRO 6 HA PRO 6 -36.061 -11.876 -5.223 33 1HB PRO 6 HB2 PRO 6 -34.951 -9.590 -4.301 34 2HB PRO 6 HB1 PRO 6 -36.622 -9.674 -4.869 35 1HG PRO 6 HG2 PRO 6 -35.569 -9.723 -2.068 36 2HG PRO 6 HG1 PRO 6 -36.962 -8.844 -2.724 37 1HD PRO 6 HD2 PRO 6 -37.199 -11.173 -1.349 38 2HD PRO 6 HD1 PRO 6 -38.330 -10.688 -2.627 39 H ARG 7 HN ARG 7 -34.100 -12.595 -5.766 40 HA ARG 7 HA ARG 7 -32.268 -13.427 -3.685 41 1HB ARG 7 HB2 ARG 7 -32.138 -13.708 -6.692 42 2HB ARG 7 HB1 ARG 7 -30.966 -14.391 -5.574 43 1HG ARG 7 HG2 ARG 7 -33.849 -15.059 -5.240 44 2HG ARG 7 HG1 ARG 7 -32.915 -15.847 -6.512 45 1HD ARG 7 HD2 ARG 7 -31.256 -16.028 -4.329 46 2HD ARG 7 HD1 ARG 7 -32.856 -16.240 -3.621 47 HE ARG 7 HE ARG 7 -31.513 -18.020 -5.484 48 1HH1 ARG 7 HH11 ARG 7 -34.479 -17.192 -3.831 49 2HH1 ARG 7 HH12 ARG 7 -35.176 -18.763 -4.039 50 1HH2 ARG 7 HH21 ARG 7 -32.435 -20.082 -5.759 51 2HH2 ARG 7 HH22 ARG 7 -34.017 -20.403 -5.132 52 H ASN 8 HN ASN 8 -31.545 -11.442 -2.859 53 HA ASN 8 HA ASN 8 -30.193 -9.584 -4.628 54 1HB ASN 8 HB2 ASN 8 -30.663 -9.587 -1.645 55 2HB ASN 8 HB1 ASN 8 -29.760 -8.330 -2.484 56 1HD2 ASN 8 HD21 ASN 8 -32.690 -9.112 -1.277 57 2HD2 ASN 8 HD22 ASN 8 -33.693 -8.083 -2.237 58 H ALA 9 HN ALA 9 -28.306 -10.343 -5.365 59 HA ALA 9 HA ALA 9 -26.550 -12.015 -3.902 60 1HB ALA 9 HB1 ALA 9 -26.811 -11.258 -6.527 61 2HB ALA 9 HB2 ALA 9 -25.492 -12.220 -5.858 62 3HB ALA 9 HB3 ALA 9 -25.308 -10.476 -6.041 63 H ASN 10 HN ASN 10 -25.334 -11.448 -2.233 64 HA ASN 10 HA ASN 10 -24.672 -8.662 -1.764 65 1HB ASN 10 HB2 ASN 10 -24.999 -11.027 -0.148 66 2HB ASN 10 HB1 ASN 10 -23.447 -10.272 0.199 67 1HD2 ASN 10 HD21 ASN 10 -25.127 -10.317 2.206 68 2HD2 ASN 10 HD22 ASN 10 -25.849 -8.773 2.488 69 H ASP 11 HN ASP 11 -22.725 -11.651 -1.543 70 HA ASP 11 HA ASP 11 -20.299 -10.206 -1.990 71 1HB ASP 11 HB2 ASP 11 -20.944 -12.663 -0.878 72 2HB ASP 11 HB1 ASP 11 -20.091 -13.091 -2.359 73 H ASN 12 HN ASN 12 -22.654 -11.410 -4.093 74 HA ASN 12 HA ASN 12 -20.849 -12.016 -6.277 75 1HB ASN 12 HB2 ASN 12 -23.249 -12.996 -5.766 76 2HB ASN 12 HB1 ASN 12 -23.779 -11.587 -6.679 77 1HD2 ASN 12 HD21 ASN 12 -21.776 -14.470 -6.817 78 2HD2 ASN 12 HD22 ASN 12 -21.844 -14.657 -8.534 79 H ASN 13 HN ASN 13 -20.419 -9.456 -5.297 80 HA ASN 13 HA ASN 13 -20.668 -7.901 -7.662 81 1HB ASN 13 HB2 ASN 13 -22.727 -7.651 -5.668 82 2HB ASN 13 HB1 ASN 13 -21.835 -6.138 -5.796 83 1HD2 ASN 13 HD21 ASN 13 -23.813 -8.455 -7.492 84 2HD2 ASN 13 HD22 ASN 13 -24.234 -7.423 -8.813 85 H GLN 14 HN GLN 14 -19.782 -8.214 -4.321 86 HA GLN 14 HA GLN 14 -18.004 -5.914 -4.412 87 1HB GLN 14 HB2 GLN 14 -19.475 -6.781 -2.396 88 2HB GLN 14 HB1 GLN 14 -18.079 -7.812 -2.109 89 1HG GLN 14 HG2 GLN 14 -17.050 -6.153 -1.084 90 2HG GLN 14 HG1 GLN 14 -17.132 -5.182 -2.554 91 1HE2 GLN 14 HE21 GLN 14 -17.326 -3.346 -1.182 92 2HE2 GLN 14 HE22 GLN 14 -18.847 -2.940 -0.471 93 H PHE 15 HN PHE 15 -17.645 -9.356 -3.518 94 HA PHE 15 HA PHE 15 -14.796 -9.195 -4.065 95 1HB PHE 15 HB2 PHE 15 -16.531 -10.889 -2.478 96 2HB PHE 15 HB1 PHE 15 -15.436 -11.851 -3.464 97 HD1 PHE 15 HD1 PHE 15 -15.746 -9.616 -0.635 98 HD2 PHE 15 HD2 PHE 15 -13.001 -11.607 -3.198 99 HE1 PHE 15 HE1 PHE 15 -13.947 -9.232 0.999 100 HE2 PHE 15 HE2 PHE 15 -11.195 -11.232 -1.572 101 HZ PHE 15 HZ PHE 15 -11.668 -10.041 0.531 102 H TYR 16 HN TYR 16 -16.516 -8.881 -6.326 103 HA TYR 16 HA TYR 16 -16.299 -11.396 -7.791 104 1HB TYR 16 HB2 TYR 16 -18.348 -9.817 -7.847 105 2HB TYR 16 HB1 TYR 16 -17.365 -8.810 -8.904 106 HD1 TYR 16 HD1 TYR 16 -18.496 -12.354 -8.564 107 HD2 TYR 16 HD2 TYR 16 -17.496 -9.158 -11.188 108 HE1 TYR 16 HE1 TYR 16 -19.183 -13.725 -10.486 109 HE2 TYR 16 HE2 TYR 16 -18.180 -10.520 -13.118 110 HH TYR 16 HH TYR 16 -19.192 -13.887 -12.735 111 H GLN 17 HN GLN 17 -15.243 -8.017 -8.050 112 HA GLN 17 HA GLN 17 -13.380 -8.701 -10.181 113 1HB GLN 17 HB2 GLN 17 -14.404 -6.167 -8.976 114 2HB GLN 17 HB1 GLN 17 -12.863 -6.134 -9.817 115 1HG GLN 17 HG2 GLN 17 -13.821 -6.644 -11.863 116 2HG GLN 17 HG1 GLN 17 -15.269 -7.325 -11.122 117 1HE2 GLN 17 HE21 GLN 17 -15.350 -5.462 -13.189 118 2HE2 GLN 17 HE22 GLN 17 -16.032 -3.993 -12.586 119 H GLN 18 HN GLN 18 -12.628 -10.101 -8.075 120 HA GLN 18 HA GLN 18 -10.995 -8.933 -6.145 121 1HB GLN 18 HB2 GLN 18 -10.727 -11.651 -7.450 122 2HB GLN 18 HB1 GLN 18 -9.926 -11.163 -5.966 123 1HG GLN 18 HG2 GLN 18 -11.820 -11.331 -4.720 124 2HG GLN 18 HG1 GLN 18 -12.879 -10.922 -6.069 125 1HE2 GLN 18 HE21 GLN 18 -13.043 -13.125 -4.127 126 2HE2 GLN 18 HE22 GLN 18 -13.072 -14.575 -5.062 127 H LYS 19 HN LYS 19 -10.282 -9.915 -9.454 128 HA LYS 19 HA LYS 19 -7.476 -9.550 -9.238 129 1HB LYS 19 HB2 LYS 19 -9.171 -10.690 -11.091 130 2HB LYS 19 HB1 LYS 19 -8.550 -9.277 -11.936 131 1HG LYS 19 HG2 LYS 19 -6.651 -11.072 -10.506 132 2HG LYS 19 HG1 LYS 19 -7.301 -11.563 -12.070 133 1HD LYS 19 HD2 LYS 19 -6.391 -9.655 -13.145 134 2HD LYS 19 HD1 LYS 19 -6.011 -8.885 -11.604 135 1HE LYS 19 HE2 LYS 19 -4.239 -10.355 -11.177 136 2HE LYS 19 HE1 LYS 19 -4.794 -11.513 -12.384 137 1HZ LYS 19 HZ1 LYS 19 -4.249 -8.985 -13.565 138 2HZ LYS 19 HZ2 LYS 19 -3.599 -10.502 -13.937 139 3HZ LYS 19 HZ3 LYS 19 -2.895 -9.556 -12.725 140 H GLN 20 HN GLN 20 -10.083 -7.365 -9.752 141 HA GLN 20 HA GLN 20 -8.512 -5.325 -11.036 142 1HB GLN 20 HB2 GLN 20 -11.211 -5.134 -9.690 143 2HB GLN 20 HB1 GLN 20 -10.483 -3.895 -10.702 144 1HG GLN 20 HG2 GLN 20 -10.403 -6.083 -12.333 145 2HG GLN 20 HG1 GLN 20 -11.904 -6.333 -11.444 146 1HE2 GLN 20 HE21 GLN 20 -10.540 -4.905 -14.096 147 2HE2 GLN 20 HE22 GLN 20 -11.768 -3.744 -14.454 148 H ARG 21 HN ARG 21 -9.896 -5.729 -7.781 149 HA ARG 21 HA ARG 21 -9.002 -3.432 -6.562 150 1HB ARG 21 HB2 ARG 21 -9.117 -6.219 -5.418 151 2HB ARG 21 HB1 ARG 21 -8.968 -4.750 -4.462 152 1HG ARG 21 HG2 ARG 21 -11.131 -4.082 -4.903 153 2HG ARG 21 HG1 ARG 21 -11.239 -5.050 -6.373 154 1HD ARG 21 HD2 ARG 21 -12.564 -5.906 -4.422 155 2HD ARG 21 HD1 ARG 21 -11.442 -7.061 -5.139 156 HE ARG 21 HE ARG 21 -9.988 -5.973 -3.144 157 1HH1 ARG 21 HH11 ARG 21 -13.178 -7.371 -3.253 158 2HH1 ARG 21 HH12 ARG 21 -13.112 -7.963 -1.628 159 1HH2 ARG 21 HH21 ARG 21 -9.891 -6.753 -1.007 160 2HH2 ARG 21 HH22 ARG 21 -11.242 -7.615 -0.351 161 H GLN 22 HN GLN 22 -7.298 -6.554 -6.458 162 HA GLN 22 HA GLN 22 -4.920 -5.528 -5.390 163 1HB GLN 22 HB2 GLN 22 -5.741 -8.062 -6.695 164 2HB GLN 22 HB1 GLN 22 -4.018 -7.713 -6.669 165 1HG GLN 22 HG2 GLN 22 -5.747 -7.668 -4.213 166 2HG GLN 22 HG1 GLN 22 -4.871 -9.095 -4.765 167 1HE2 GLN 22 HE21 GLN 22 -2.493 -8.169 -5.540 168 2HE2 GLN 22 HE22 GLN 22 -1.657 -7.412 -4.232 169 H ALA 23 HN ALA 23 -6.158 -5.532 -8.625 170 HA ALA 23 HA ALA 23 -3.804 -5.377 -10.119 171 1HB ALA 23 HB1 ALA 23 -5.087 -4.639 -11.890 172 2HB ALA 23 HB2 ALA 23 -6.163 -3.697 -10.859 173 3HB ALA 23 HB3 ALA 23 -6.286 -5.453 -10.891 174 H LEU 24 HN LEU 24 -5.838 -2.558 -9.358 175 HA LEU 24 HA LEU 24 -3.724 -0.732 -9.821 176 1HB LEU 24 HB2 LEU 24 -6.508 -0.579 -8.788 177 2HB LEU 24 HB1 LEU 24 -5.462 0.802 -8.541 178 HG LEU 24 HG LEU 24 -6.798 1.129 -10.525 179 1HD1 LEU 24 HD11 LEU 24 -3.891 0.934 -10.624 180 2HD1 LEU 24 HD12 LEU 24 -4.965 2.221 -11.170 181 3HD1 LEU 24 HD13 LEU 24 -4.653 0.833 -12.212 182 1HD2 LEU 24 HD21 LEU 24 -6.607 -0.388 -12.446 183 2HD2 LEU 24 HD22 LEU 24 -7.289 -1.189 -11.031 184 3HD2 LEU 24 HD23 LEU 24 -5.603 -1.469 -11.477 185 H GLY 25 HN GLY 25 -5.028 -2.305 -6.958 186 1HA GLY 25 HA2 GLY 25 -3.816 -0.692 -5.008 187 2HA GLY 25 HA1 GLY 25 -4.235 -2.388 -4.796 188 H GLU 26 HN GLU 26 -2.562 -3.485 -6.812 189 HA GLU 26 HA GLU 26 -0.155 -3.761 -5.408 190 1HB GLU 26 HB2 GLU 26 -1.297 -5.014 -7.593 191 2HB GLU 26 HB1 GLU 26 0.103 -4.217 -8.290 192 1HG GLU 26 HG2 GLU 26 1.570 -5.554 -7.221 193 2HG GLU 26 HG1 GLU 26 0.562 -5.698 -5.782 194 H GLN 27 HN GLN 27 -1.198 -1.489 -7.873 195 HA GLN 27 HA GLN 27 1.297 -0.506 -8.655 196 1HB GLN 27 HB2 GLN 27 -1.429 0.717 -8.550 197 2HB GLN 27 HB1 GLN 27 -0.042 1.721 -8.934 198 1HG GLN 27 HG2 GLN 27 0.277 -0.469 -10.575 199 2HG GLN 27 HG1 GLN 27 -1.463 -0.197 -10.578 200 1HE2 GLN 27 HE21 GLN 27 -2.275 1.465 -11.717 201 2HE2 GLN 27 HE22 GLN 27 -1.326 2.614 -12.591 202 H LEU 28 HN LEU 28 -0.618 0.080 -5.810 203 HA LEU 28 HA LEU 28 0.633 2.363 -4.804 204 1HB LEU 28 HB2 LEU 28 -1.428 0.923 -3.978 205 2HB LEU 28 HB1 LEU 28 -0.213 0.168 -2.965 206 HG LEU 28 HG LEU 28 0.327 2.376 -1.992 207 1HD1 LEU 28 HD11 LEU 28 -0.659 4.321 -2.603 208 2HD1 LEU 28 HD12 LEU 28 -2.138 3.540 -3.158 209 3HD1 LEU 28 HD13 LEU 28 -0.686 3.500 -4.157 210 1HD2 LEU 28 HD21 LEU 28 -2.248 0.997 -1.750 211 2HD2 LEU 28 HD22 LEU 28 -2.245 2.652 -1.139 212 3HD2 LEU 28 HD23 LEU 28 -1.092 1.476 -0.508 213 H TYR 29 HN TYR 29 1.369 -1.062 -4.296 214 HA TYR 29 HA TYR 29 3.608 -0.607 -2.617 215 1HB TYR 29 HB2 TYR 29 2.498 -2.714 -2.488 216 2HB TYR 29 HB1 TYR 29 2.713 -3.010 -4.209 217 HD1 TYR 29 HD1 TYR 29 4.259 -4.615 -4.724 218 HD2 TYR 29 HD2 TYR 29 4.917 -2.209 -1.276 219 HE1 TYR 29 HE1 TYR 29 6.329 -5.856 -4.261 220 HE2 TYR 29 HE2 TYR 29 6.995 -3.442 -0.805 221 HH TYR 29 HH TYR 29 7.783 -6.360 -2.386 222 H LYS 30 HN LYS 30 3.418 -1.525 -6.072 223 HA LYS 30 HA LYS 30 6.167 -1.569 -6.558 224 1HB LYS 30 HB2 LYS 30 5.638 -1.501 -8.885 225 2HB LYS 30 HB1 LYS 30 4.374 -2.426 -8.088 226 1HG LYS 30 HG2 LYS 30 2.938 -0.430 -8.108 227 2HG LYS 30 HG1 LYS 30 4.192 0.441 -8.987 228 1HD LYS 30 HD2 LYS 30 3.420 -2.134 -10.179 229 2HD LYS 30 HD1 LYS 30 2.137 -0.923 -10.154 230 1HE LYS 30 HE2 LYS 30 3.467 -0.855 -12.225 231 2HE LYS 30 HE1 LYS 30 3.543 0.654 -11.318 232 1HZ LYS 30 HZ1 LYS 30 5.623 -1.461 -11.428 233 2HZ LYS 30 HZ2 LYS 30 5.694 -0.109 -10.414 234 3HZ LYS 30 HZ3 LYS 30 5.717 0.092 -12.093 235 H LYS 31 HN LYS 31 3.921 1.114 -6.435 236 HA LYS 31 HA LYS 31 5.481 3.057 -7.717 237 1HB LYS 31 HB2 LYS 31 3.011 3.137 -6.897 238 2HB LYS 31 HB1 LYS 31 3.705 3.731 -5.398 239 1HG LYS 31 HG2 LYS 31 3.411 5.731 -6.359 240 2HG LYS 31 HG1 LYS 31 4.934 5.349 -7.165 241 1HD LYS 31 HD2 LYS 31 2.326 4.499 -8.369 242 2HD LYS 31 HD1 LYS 31 2.906 6.152 -8.576 243 1HE LYS 31 HE2 LYS 31 4.887 5.402 -9.670 244 2HE LYS 31 HE1 LYS 31 4.549 3.722 -9.256 245 1HZ LYS 31 HZ1 LYS 31 2.687 5.294 -10.925 246 2HZ LYS 31 HZ2 LYS 31 2.820 3.613 -10.791 247 3HZ LYS 31 HZ3 LYS 31 4.014 4.493 -11.607 248 H VAL 32 HN VAL 32 5.539 1.826 -4.451 249 HA VAL 32 HA VAL 32 7.377 3.856 -3.510 250 HB VAL 32 HB VAL 32 6.765 1.236 -2.150 251 1HG1 VAL 32 HG11 VAL 32 7.234 2.616 -0.114 252 2HG1 VAL 32 HG12 VAL 32 7.774 3.903 -1.191 253 3HG1 VAL 32 HG13 VAL 32 8.620 2.356 -1.170 254 1HG2 VAL 32 HG21 VAL 32 4.907 2.223 -1.055 255 2HG2 VAL 32 HG22 VAL 32 4.691 2.521 -2.779 256 3HG2 VAL 32 HG23 VAL 32 5.269 3.813 -1.726 257 H SER 33 HN SER 33 7.544 0.386 -4.314 258 HA SER 33 HA SER 33 10.375 0.249 -3.915 259 1HB SER 33 HB2 SER 33 9.988 -1.979 -5.271 260 2HB SER 33 HB1 SER 33 9.427 -1.834 -3.605 261 HG SER 33 HG SER 33 7.645 -0.997 -5.558 262 H ALA 34 HN ALA 34 8.897 2.009 -6.113 263 HA ALA 34 HA ALA 34 9.863 1.190 -8.611 264 1HB ALA 34 HB1 ALA 34 8.791 3.674 -7.448 265 2HB ALA 34 HB2 ALA 34 8.373 2.848 -8.948 266 3HB ALA 34 HB3 ALA 34 9.806 3.873 -8.876 267 H LYS 35 HN LYS 35 11.561 2.285 -5.884 268 HA LYS 35 HA LYS 35 13.825 3.213 -7.506 269 1HB LYS 35 HB2 LYS 35 12.795 3.876 -4.856 270 2HB LYS 35 HB1 LYS 35 14.526 3.575 -4.855 271 1HG LYS 35 HG2 LYS 35 14.979 5.369 -6.220 272 2HG LYS 35 HG1 LYS 35 13.355 5.388 -6.912 273 1HD LYS 35 HD2 LYS 35 13.265 5.842 -4.063 274 2HD LYS 35 HD1 LYS 35 14.339 7.000 -4.852 275 1HE LYS 35 HE2 LYS 35 11.649 6.432 -6.020 276 2HE LYS 35 HE1 LYS 35 11.789 7.512 -4.633 277 1HZ LYS 35 HZ1 LYS 35 11.946 8.404 -7.081 278 2HZ LYS 35 HZ2 LYS 35 13.569 7.965 -6.910 279 3HZ LYS 35 HZ3 LYS 35 12.880 9.080 -5.842 280 H THR 36 HN THR 36 12.710 0.529 -5.738 281 HA THR 36 HA THR 36 14.955 -1.051 -6.343 282 HB THR 36 HB THR 36 16.081 0.184 -4.589 283 HG1 THR 36 HG1 THR 36 16.810 -1.796 -4.378 284 1HG2 THR 36 HG21 THR 36 14.393 1.056 -3.214 285 2HG2 THR 36 HG22 THR 36 15.276 -0.096 -2.212 286 3HG2 THR 36 HG23 THR 36 13.713 -0.541 -2.898 287 H SER 37 HN SER 37 14.766 -3.253 -5.477 288 HA SER 37 HA SER 37 11.966 -3.979 -5.189 289 1HB SER 37 HB2 SER 37 14.253 -5.929 -5.289 290 2HB SER 37 HB1 SER 37 12.585 -6.158 -5.812 291 HG SER 37 HG SER 37 14.687 -5.281 -7.225 292 H ASN 38 HN ASN 38 13.020 -2.666 -2.955 293 HA ASN 38 HA ASN 38 13.725 -4.596 -0.937 294 1HB ASN 38 HB2 ASN 38 13.788 -1.756 -1.199 295 2HB ASN 38 HB1 ASN 38 12.849 -2.159 0.230 296 1HD2 ASN 38 HD21 ASN 38 15.723 -1.182 -0.524 297 2HD2 ASN 38 HD22 ASN 38 16.707 -2.060 0.592 298 H GLU 39 HN GLU 39 12.095 -6.056 -0.634 299 HA GLU 39 HA GLU 39 9.355 -5.486 -0.649 300 1HB GLU 39 HB2 GLU 39 11.062 -7.737 0.196 301 2HB GLU 39 HB1 GLU 39 9.479 -7.667 0.962 302 1HG GLU 39 HG2 GLU 39 8.419 -8.286 -0.904 303 2HG GLU 39 HG1 GLU 39 9.420 -7.260 -1.930 304 H GLU 40 HN GLU 40 11.734 -5.105 1.840 305 HA GLU 40 HA GLU 40 9.776 -4.823 3.951 306 1HB GLU 40 HB2 GLU 40 12.721 -4.174 4.045 307 2HB GLU 40 HB1 GLU 40 11.652 -4.468 5.408 308 1HG GLU 40 HG2 GLU 40 11.434 -6.780 4.811 309 2HG GLU 40 HG1 GLU 40 12.339 -6.520 3.321 310 H ALA 41 HN ALA 41 11.408 -2.788 1.689 311 HA ALA 41 HA ALA 41 11.088 -0.332 3.150 312 1HB ALA 41 HB1 ALA 41 11.818 0.736 1.121 313 2HB ALA 41 HB2 ALA 41 11.644 -0.761 0.225 314 3HB ALA 41 HB3 ALA 41 12.864 -0.625 1.492 315 H ALA 42 HN ALA 42 9.806 -1.208 -0.034 316 HA ALA 42 HA ALA 42 7.775 0.673 -0.069 317 1HB ALA 42 HB1 ALA 42 6.743 -0.935 -1.797 318 2HB ALA 42 HB2 ALA 42 8.200 -1.896 -1.543 319 3HB ALA 42 HB3 ALA 42 8.330 -0.235 -2.129 320 H GLY 43 HN GLY 43 7.873 -2.550 1.308 321 1HA GLY 43 HA2 GLY 43 5.089 -2.844 1.747 322 2HA GLY 43 HA1 GLY 43 6.366 -3.672 2.631 323 H LYS 44 HN LYS 44 7.577 -1.016 3.330 324 HA LYS 44 HA LYS 44 6.210 -0.656 5.815 325 1HB LYS 44 HB2 LYS 44 8.732 0.067 4.678 326 2HB LYS 44 HB1 LYS 44 7.984 1.518 5.329 327 1HG LYS 44 HG2 LYS 44 9.445 0.399 6.947 328 2HG LYS 44 HG1 LYS 44 7.771 0.478 7.499 329 1HD LYS 44 HD2 LYS 44 7.544 -1.879 6.493 330 2HD LYS 44 HD1 LYS 44 9.308 -1.890 6.478 331 1HE LYS 44 HE2 LYS 44 8.485 -0.966 9.023 332 2HE LYS 44 HE1 LYS 44 7.531 -2.399 8.648 333 1HZ LYS 44 HZ1 LYS 44 10.067 -2.381 9.634 334 2HZ LYS 44 HZ2 LYS 44 10.302 -2.716 7.993 335 3HZ LYS 44 HZ3 LYS 44 9.295 -3.707 8.922 336 H ILE 45 HN ILE 45 6.867 1.632 3.152 337 HA ILE 45 HA ILE 45 5.066 3.615 4.041 338 HB ILE 45 HB ILE 45 5.967 3.094 1.207 339 1HG1 ILE 45 HG12 ILE 45 7.245 4.928 3.250 340 2HG1 ILE 45 HG11 ILE 45 7.838 3.312 2.878 341 1HG2 ILE 45 HG21 ILE 45 4.146 4.958 2.251 342 2HG2 ILE 45 HG22 ILE 45 4.824 4.900 0.624 343 3HG2 ILE 45 HG23 ILE 45 5.619 5.854 1.879 344 1HD1 ILE 45 HD11 ILE 45 8.751 3.965 0.955 345 2HD1 ILE 45 HD12 ILE 45 8.700 5.558 1.714 346 3HD1 ILE 45 HD13 ILE 45 7.437 5.079 0.582 347 H THR 46 HN THR 46 4.693 0.849 1.877 348 HA THR 46 HA THR 46 2.179 1.500 0.832 349 HB THR 46 HB THR 46 3.416 -1.211 1.347 350 HG1 THR 46 HG1 THR 46 4.360 0.419 -0.193 351 1HG2 THR 46 HG21 THR 46 0.769 -0.648 0.542 352 2HG2 THR 46 HG22 THR 46 1.592 -2.206 0.605 353 3HG2 THR 46 HG23 THR 46 1.648 -1.238 -0.868 354 H GLY 47 HN GLY 47 3.111 -0.077 3.845 355 1HA GLY 47 HA2 GLY 47 0.592 -1.018 4.609 356 2HA GLY 47 HA1 GLY 47 1.907 -0.626 5.705 357 H MET 48 HN MET 48 2.071 2.173 5.069 358 HA MET 48 HA MET 48 -0.073 3.098 6.737 359 1HB MET 48 HB2 MET 48 1.026 5.178 6.801 360 2HB MET 48 HB1 MET 48 2.313 3.987 6.740 361 1HG MET 48 HG2 MET 48 3.142 5.319 5.166 362 2HG MET 48 HG1 MET 48 1.998 4.509 4.115 363 1HE MET 48 HE1 MET 48 2.437 7.957 6.317 364 2HE MET 48 HE2 MET 48 2.435 8.811 4.776 365 3HE MET 48 HE3 MET 48 3.527 7.454 5.029 366 H ILE 49 HN ILE 49 0.815 3.450 3.314 367 HA ILE 49 HA ILE 49 -1.432 5.102 2.683 368 HB ILE 49 HB ILE 49 0.168 3.427 0.745 369 1HG1 ILE 49 HG12 ILE 49 0.782 6.296 1.432 370 2HG1 ILE 49 HG11 ILE 49 1.535 4.971 2.310 371 1HG2 ILE 49 HG21 ILE 49 -2.069 4.900 0.323 372 2HG2 ILE 49 HG22 ILE 49 -0.842 4.570 -0.896 373 3HG2 ILE 49 HG23 ILE 49 -0.810 6.088 -0.004 374 1HD1 ILE 49 HD11 ILE 49 2.491 4.131 0.233 375 2HD1 ILE 49 HD12 ILE 49 2.976 5.799 0.538 376 3HD1 ILE 49 HD13 ILE 49 1.724 5.447 -0.654 377 H LEU 50 HN LEU 50 -1.176 1.957 3.576 378 HA LEU 50 HA LEU 50 -3.070 0.718 1.815 379 1HB LEU 50 HB2 LEU 50 -1.232 -0.141 3.735 380 2HB LEU 50 HB1 LEU 50 -2.798 -0.561 4.402 381 HG LEU 50 HG LEU 50 -1.833 -2.415 3.141 382 1HD1 LEU 50 HD11 LEU 50 -4.369 -1.122 2.340 383 2HD1 LEU 50 HD12 LEU 50 -4.075 -2.706 3.058 384 3HD1 LEU 50 HD13 LEU 50 -3.793 -2.452 1.337 385 1HD2 LEU 50 HD21 LEU 50 -1.387 -0.312 1.165 386 2HD2 LEU 50 HD22 LEU 50 -2.082 -1.784 0.489 387 3HD2 LEU 50 HD23 LEU 50 -0.566 -1.857 1.387 388 H ASP 51 HN ASP 51 -3.664 3.206 3.619 389 HA ASP 51 HA ASP 51 -5.872 2.279 5.226 390 1HB ASP 51 HB2 ASP 51 -4.317 4.733 4.947 391 2HB ASP 51 HB1 ASP 51 -6.043 5.049 5.087 392 H LEU 52 HN LEU 52 -5.346 3.467 2.023 393 HA LEU 52 HA LEU 52 -8.063 4.323 1.610 394 1HB LEU 52 HB2 LEU 52 -5.686 3.960 -0.193 395 2HB LEU 52 HB1 LEU 52 -7.277 4.308 -0.843 396 HG LEU 52 HG LEU 52 -7.346 6.417 0.384 397 1HD1 LEU 52 HD11 LEU 52 -5.211 7.199 1.469 398 2HD1 LEU 52 HD12 LEU 52 -4.672 5.520 1.423 399 3HD1 LEU 52 HD13 LEU 52 -6.109 5.960 2.345 400 1HD2 LEU 52 HD21 LEU 52 -6.108 6.032 -1.885 401 2HD2 LEU 52 HD22 LEU 52 -4.677 6.423 -0.933 402 3HD2 LEU 52 HD23 LEU 52 -5.999 7.585 -1.058 403 HA PRO 53 HA PRO 53 -9.808 0.242 1.159 404 1HB PRO 53 HB2 PRO 53 -11.600 1.690 -0.726 405 2HB PRO 53 HB1 PRO 53 -12.007 0.621 0.613 406 1HG PRO 53 HG2 PRO 53 -12.242 3.292 0.802 407 2HG PRO 53 HG1 PRO 53 -11.814 2.273 2.186 408 1HD PRO 53 HD2 PRO 53 -10.134 4.138 0.632 409 2HD PRO 53 HD1 PRO 53 -9.938 3.556 2.294 410 HA PRO 54 HA PRO 54 -8.443 -1.669 -2.559 411 1HB PRO 54 HB2 PRO 54 -10.773 -2.590 -3.779 412 2HB PRO 54 HB1 PRO 54 -9.848 -3.448 -2.544 413 1HG PRO 54 HG2 PRO 54 -12.302 -1.772 -2.254 414 2HG PRO 54 HG1 PRO 54 -11.860 -3.273 -1.420 415 1HD PRO 54 HD2 PRO 54 -11.650 -0.916 -0.199 416 2HD PRO 54 HD1 PRO 54 -10.433 -2.181 0.055 417 H GLN 55 HN GLN 55 -11.587 -0.356 -3.585 418 HA GLN 55 HA GLN 55 -10.496 0.536 -6.087 419 1HB GLN 55 HB2 GLN 55 -12.746 1.375 -6.554 420 2HB GLN 55 HB1 GLN 55 -12.788 -0.283 -5.971 421 1HG GLN 55 HG2 GLN 55 -13.637 0.347 -3.885 422 2HG GLN 55 HG1 GLN 55 -13.208 2.040 -4.125 423 1HE2 GLN 55 HE21 GLN 55 -14.294 3.015 -6.133 424 2HE2 GLN 55 HE22 GLN 55 -15.978 2.675 -6.307 425 H GLU 56 HN GLU 56 -11.313 2.032 -3.028 426 HA GLU 56 HA GLU 56 -11.240 4.721 -3.880 427 1HB GLU 56 HB2 GLU 56 -11.557 3.304 -1.424 428 2HB GLU 56 HB1 GLU 56 -10.369 4.572 -1.184 429 1HG GLU 56 HG2 GLU 56 -12.061 6.140 -2.248 430 2HG GLU 56 HG1 GLU 56 -13.227 4.832 -2.047 431 H VAL 57 HN VAL 57 -8.723 2.442 -3.214 432 HA VAL 57 HA VAL 57 -6.716 4.467 -2.805 433 HB VAL 57 HB VAL 57 -6.576 2.221 -1.726 434 1HG1 VAL 57 HG11 VAL 57 -6.867 1.303 -4.394 435 2HG1 VAL 57 HG12 VAL 57 -6.753 0.359 -2.911 436 3HG1 VAL 57 HG13 VAL 57 -5.291 0.779 -3.804 437 1HG2 VAL 57 HG21 VAL 57 -4.616 3.564 -1.768 438 2HG2 VAL 57 HG22 VAL 57 -4.291 3.151 -3.450 439 3HG2 VAL 57 HG23 VAL 57 -4.129 1.924 -2.193 440 H PHE 58 HN PHE 58 -7.969 2.589 -5.456 441 HA PHE 58 HA PHE 58 -6.037 2.580 -7.352 442 1HB PHE 58 HB2 PHE 58 -8.956 3.239 -7.702 443 2HB PHE 58 HB1 PHE 58 -7.861 3.043 -9.059 444 HD1 PHE 58 HD1 PHE 58 -9.560 1.338 -9.746 445 HD2 PHE 58 HD2 PHE 58 -7.105 0.890 -6.305 446 HE1 PHE 58 HE1 PHE 58 -10.006 -1.075 -9.758 447 HE2 PHE 58 HE2 PHE 58 -7.550 -1.534 -6.302 448 HZ PHE 58 HZ PHE 58 -9.001 -2.513 -8.041 449 HA PRO 59 HA PRO 59 -7.155 7.202 -8.713 450 1HB PRO 59 HB2 PRO 59 -7.871 8.154 -5.979 451 2HB PRO 59 HB1 PRO 59 -8.503 8.662 -7.549 452 1HG PRO 59 HG2 PRO 59 -9.934 7.080 -5.957 453 2HG PRO 59 HG1 PRO 59 -9.929 6.843 -7.714 454 1HD PRO 59 HD2 PRO 59 -8.562 5.266 -5.587 455 2HD PRO 59 HD1 PRO 59 -9.269 4.729 -7.120 456 H LEU 60 HN LEU 60 -6.182 6.886 -5.298 457 HA LEU 60 HA LEU 60 -4.125 8.793 -5.387 458 1HB LEU 60 HB2 LEU 60 -4.931 8.228 -3.270 459 2HB LEU 60 HB1 LEU 60 -4.765 6.507 -3.559 460 HG LEU 60 HG LEU 60 -2.168 7.675 -3.723 461 1HD1 LEU 60 HD11 LEU 60 -2.255 9.375 -2.331 462 2HD1 LEU 60 HD12 LEU 60 -2.484 8.194 -1.042 463 3HD1 LEU 60 HD13 LEU 60 -3.881 8.967 -1.792 464 1HD2 LEU 60 HD21 LEU 60 -3.365 5.394 -2.741 465 2HD2 LEU 60 HD22 LEU 60 -2.766 6.202 -1.291 466 3HD2 LEU 60 HD23 LEU 60 -1.660 5.820 -2.608 467 H LEU 61 HN LEU 61 -3.928 5.238 -5.550 468 HA LEU 61 HA LEU 61 -1.143 5.142 -5.866 469 1HB LEU 61 HB2 LEU 61 -1.577 2.824 -6.760 470 2HB LEU 61 HB1 LEU 61 -2.221 3.170 -5.169 471 HG LEU 61 HG LEU 61 -4.386 3.767 -6.599 472 1HD1 LEU 61 HD11 LEU 61 -4.362 3.088 -8.698 473 2HD1 LEU 61 HD12 LEU 61 -3.975 1.456 -8.179 474 3HD1 LEU 61 HD13 LEU 61 -2.678 2.596 -8.519 475 1HD2 LEU 61 HD21 LEU 61 -3.947 0.875 -6.178 476 2HD2 LEU 61 HD22 LEU 61 -5.287 1.891 -5.684 477 3HD2 LEU 61 HD23 LEU 61 -3.773 1.929 -4.786 478 H GLU 62 HN GLU 62 -3.519 6.146 -8.097 479 HA GLU 62 HA GLU 62 -1.775 5.520 -10.375 480 1HB GLU 62 HB2 GLU 62 -3.664 5.909 -11.805 481 2HB GLU 62 HB1 GLU 62 -4.174 4.840 -10.510 482 1HG GLU 62 HG2 GLU 62 -5.465 6.477 -9.493 483 2HG GLU 62 HG1 GLU 62 -4.617 7.791 -10.305 484 H SER 63 HN SER 63 -2.633 8.044 -8.295 485 HA SER 63 HA SER 63 -1.823 10.086 -10.243 486 1HB SER 63 HB2 SER 63 -3.417 10.207 -7.693 487 2HB SER 63 HB1 SER 63 -2.694 11.659 -8.386 488 HG SER 63 HG SER 63 -4.887 11.226 -9.074 489 H ASP 64 HN ASP 64 0.204 10.770 -10.154 490 HA ASP 64 HA ASP 64 2.064 9.964 -8.227 491 1HB ASP 64 HB2 ASP 64 2.038 11.764 -10.547 492 2HB ASP 64 HB1 ASP 64 3.215 12.203 -9.313 493 H GLU 65 HN GLU 65 0.495 13.132 -8.664 494 HA GLU 65 HA GLU 65 1.702 14.459 -6.540 495 1HB GLU 65 HB2 GLU 65 -0.432 15.851 -6.509 496 2HB GLU 65 HB1 GLU 65 0.447 15.785 -8.028 497 1HG GLU 65 HG2 GLU 65 -1.414 15.162 -9.032 498 2HG GLU 65 HG1 GLU 65 -1.382 13.665 -8.105 499 H LEU 66 HN LEU 66 -1.328 12.610 -6.569 500 HA LEU 66 HA LEU 66 -1.988 12.959 -3.869 501 1HB LEU 66 HB2 LEU 66 -3.001 11.527 -6.082 502 2HB LEU 66 HB1 LEU 66 -2.786 10.355 -4.794 503 HG LEU 66 HG LEU 66 -5.053 11.330 -4.844 504 1HD1 LEU 66 HD11 LEU 66 -3.841 12.347 -2.331 505 2HD1 LEU 66 HD12 LEU 66 -3.647 10.643 -2.729 506 3HD1 LEU 66 HD13 LEU 66 -5.262 11.329 -2.575 507 1HD2 LEU 66 HD21 LEU 66 -5.459 13.520 -4.946 508 2HD2 LEU 66 HD22 LEU 66 -3.751 13.713 -5.333 509 3HD2 LEU 66 HD23 LEU 66 -4.301 13.879 -3.667 510 H PHE 67 HN PHE 67 0.234 10.772 -5.442 511 HA PHE 67 HA PHE 67 0.573 9.033 -3.201 512 1HB PHE 67 HB2 PHE 67 1.183 8.691 -5.760 513 2HB PHE 67 HB1 PHE 67 2.739 9.334 -5.238 514 HD1 PHE 67 HD1 PHE 67 4.324 7.891 -4.291 515 HD2 PHE 67 HD2 PHE 67 0.225 6.743 -4.396 516 HE1 PHE 67 HE1 PHE 67 4.924 5.669 -3.425 517 HE2 PHE 67 HE2 PHE 67 0.834 4.529 -3.537 518 HZ PHE 67 HZ PHE 67 3.161 3.985 -3.042 519 H GLU 68 HN GLU 68 2.615 11.599 -4.589 520 HA GLU 68 HA GLU 68 4.735 11.604 -2.911 521 1HB GLU 68 HB2 GLU 68 3.232 13.810 -4.247 522 2HB GLU 68 HB1 GLU 68 4.534 14.221 -3.139 523 1HG GLU 68 HG2 GLU 68 5.539 12.210 -4.818 524 2HG GLU 68 HG1 GLU 68 4.667 13.333 -5.859 525 H GLN 69 HN GLN 69 1.660 13.281 -2.235 526 HA GLN 69 HA GLN 69 2.370 14.330 0.253 527 1HB GLN 69 HB2 GLN 69 0.271 14.734 -1.223 528 2HB GLN 69 HB1 GLN 69 -0.420 13.391 -0.318 529 1HG GLN 69 HG2 GLN 69 0.709 15.095 1.592 530 2HG GLN 69 HG1 GLN 69 -0.113 16.143 0.437 531 1HE2 GLN 69 HE21 GLN 69 -2.078 16.616 1.057 532 2HE2 GLN 69 HE22 GLN 69 -3.177 15.569 1.882 533 H HIS 70 HN HIS 70 0.391 11.434 -0.340 534 HA HIS 70 HA HIS 70 0.385 10.563 2.339 535 1HB HIS 70 HB2 HIS 70 -0.489 9.516 -0.237 536 2HB HIS 70 HB1 HIS 70 0.107 8.246 0.826 537 HD2 HIS 70 HD2 HIS 70 -3.047 10.277 0.255 538 HE1 HIS 70 HE1 HIS 70 -3.439 8.477 4.085 539 HE2 HIS 70 HE2 HIS 70 -4.605 9.776 2.266 540 H TYR 71 HN TYR 71 2.304 9.424 -0.423 541 HA TYR 71 HA TYR 71 3.908 7.631 1.028 542 1HB TYR 71 HB2 TYR 71 3.970 7.214 -1.233 543 2HB TYR 71 HB1 TYR 71 3.987 8.916 -1.658 544 HD1 TYR 71 HD1 TYR 71 5.869 9.618 -2.747 545 HD2 TYR 71 HD2 TYR 71 6.231 6.544 0.165 546 HE1 TYR 71 HE1 TYR 71 8.279 9.481 -3.205 547 HE2 TYR 71 HE2 TYR 71 8.640 6.399 -0.280 548 HH TYR 71 HH TYR 71 10.253 8.630 -2.491 549 H LYS 72 HN LYS 72 3.869 11.035 1.036 550 HA LYS 72 HA LYS 72 6.604 11.635 1.376 551 1HB LYS 72 HB2 LYS 72 4.692 13.273 0.946 552 2HB LYS 72 HB1 LYS 72 4.346 13.162 2.662 553 1HG LYS 72 HG2 LYS 72 7.111 13.820 1.788 554 2HG LYS 72 HG1 LYS 72 5.862 15.065 1.716 555 1HD LYS 72 HD2 LYS 72 5.836 15.316 3.945 556 2HD LYS 72 HD1 LYS 72 5.878 13.576 4.232 557 1HE LYS 72 HE2 LYS 72 8.142 13.522 4.397 558 2HE LYS 72 HE1 LYS 72 8.364 14.807 3.210 559 1HZ LYS 72 HZ1 LYS 72 9.037 15.591 5.353 560 2HZ LYS 72 HZ2 LYS 72 7.566 15.138 6.052 561 3HZ LYS 72 HZ3 LYS 72 7.612 16.396 4.923 562 H GLU 73 HN GLU 73 4.068 11.560 3.885 563 HA GLU 73 HA GLU 73 5.703 11.746 6.097 564 1HB GLU 73 HB2 GLU 73 2.975 11.212 5.616 565 2HB GLU 73 HB1 GLU 73 3.541 9.935 6.681 566 1HG GLU 73 HG2 GLU 73 3.742 11.313 8.431 567 2HG GLU 73 HG1 GLU 73 4.412 12.618 7.455 568 H ALA 74 HN ALA 74 4.791 8.864 4.282 569 HA ALA 74 HA ALA 74 6.145 7.078 6.074 570 1HB ALA 74 HB1 ALA 74 4.641 5.805 5.006 571 2HB ALA 74 HB2 ALA 74 5.914 5.632 3.814 572 3HB ALA 74 HB3 ALA 74 4.639 6.815 3.563 573 H SER 75 HN SER 75 6.990 8.933 3.240 574 HA SER 75 HA SER 75 9.266 7.566 2.412 575 1HB SER 75 HB2 SER 75 8.094 9.722 1.433 576 2HB SER 75 HB1 SER 75 9.268 10.571 2.435 577 HG SER 75 HG SER 75 10.831 9.946 1.149 578 H ALA 76 HN ALA 76 9.052 10.335 4.649 579 HA ALA 76 HA ALA 76 11.677 10.469 5.469 580 1HB ALA 76 HB1 ALA 76 9.576 10.768 7.559 581 2HB ALA 76 HB2 ALA 76 9.534 11.846 6.165 582 3HB ALA 76 HB3 ALA 76 10.963 11.795 7.196 583 H ALA 77 HN ALA 77 9.165 8.234 6.441 584 HA ALA 77 HA ALA 77 10.731 6.958 8.495 585 1HB ALA 77 HB1 ALA 77 8.351 5.683 7.220 586 2HB ALA 77 HB2 ALA 77 8.144 7.094 8.259 587 3HB ALA 77 HB3 ALA 77 8.887 5.627 8.899 588 H TYR 78 HN TYR 78 10.370 6.704 5.107 589 HA TYR 78 HA TYR 78 10.995 4.054 4.553 590 1HB TYR 78 HB2 TYR 78 10.397 5.972 2.932 591 2HB TYR 78 HB1 TYR 78 12.106 6.377 2.972 592 HD1 TYR 78 HD1 TYR 78 10.293 5.489 0.607 593 HD2 TYR 78 HD2 TYR 78 13.064 3.413 3.072 594 HE1 TYR 78 HE1 TYR 78 10.674 3.864 -1.202 595 HE2 TYR 78 HE2 TYR 78 13.458 1.789 1.282 596 HH TYR 78 HH TYR 78 13.236 1.854 -1.354 597 H GLU 79 HN GLU 79 13.198 6.825 4.858 598 HA GLU 79 HA GLU 79 15.584 5.347 4.675 599 1HB GLU 79 HB2 GLU 79 14.819 8.095 5.432 600 2HB GLU 79 HB1 GLU 79 16.345 7.527 6.097 601 1HG GLU 79 HG2 GLU 79 16.917 6.835 3.703 602 2HG GLU 79 HG1 GLU 79 15.561 7.857 3.226 603 H SER 80 HN SER 80 13.885 6.599 7.549 604 HA SER 80 HA SER 80 15.682 5.687 9.444 605 1HB SER 80 HB2 SER 80 13.423 7.128 9.586 606 2HB SER 80 HB1 SER 80 12.803 5.579 10.156 607 HG SER 80 HG SER 80 14.605 5.611 11.672 608 H PHE 81 HN PHE 81 12.756 4.056 8.216 609 HA PHE 81 HA PHE 81 13.164 1.720 9.759 610 1HB PHE 81 HB2 PHE 81 11.264 2.623 7.742 611 2HB PHE 81 HB1 PHE 81 11.628 0.905 7.608 612 HD1 PHE 81 HD1 PHE 81 10.035 3.489 9.583 613 HD2 PHE 81 HD2 PHE 81 11.171 -0.607 9.478 614 HE1 PHE 81 HE1 PHE 81 8.512 3.027 11.460 615 HE2 PHE 81 HE2 PHE 81 9.646 -1.083 11.357 616 HZ PHE 81 HZ PHE 81 8.315 0.739 12.350 617 H LYS 82 HN LYS 82 14.076 2.599 6.456 618 HA LYS 82 HA LYS 82 15.043 0.001 5.796 619 1HB LYS 82 HB2 LYS 82 15.150 2.683 4.546 620 2HB LYS 82 HB1 LYS 82 16.385 1.527 4.065 621 1HG LYS 82 HG2 LYS 82 13.421 1.024 3.975 622 2HG LYS 82 HG1 LYS 82 14.431 1.478 2.598 623 1HD LYS 82 HD2 LYS 82 14.688 -0.726 2.274 624 2HD LYS 82 HD1 LYS 82 15.787 -0.662 3.652 625 1HE LYS 82 HE2 LYS 82 13.095 -0.826 4.601 626 2HE LYS 82 HE1 LYS 82 13.368 -2.097 3.411 627 1HZ LYS 82 HZ1 LYS 82 14.384 -1.850 6.078 628 2HZ LYS 82 HZ2 LYS 82 15.609 -2.159 4.953 629 3HZ LYS 82 HZ3 LYS 82 14.293 -3.214 5.080 630 H LYS 83 HN LYS 83 16.413 2.843 7.281 631 HA LYS 83 HA LYS 83 19.100 1.758 7.204 632 1HB LYS 83 HB2 LYS 83 17.979 4.286 8.424 633 2HB LYS 83 HB1 LYS 83 19.677 3.833 8.481 634 1HG LYS 83 HG2 LYS 83 19.180 3.651 5.816 635 2HG LYS 83 HG1 LYS 83 18.100 4.966 6.285 636 1HD LYS 83 HD2 LYS 83 19.837 6.318 6.994 637 2HD LYS 83 HD1 LYS 83 20.935 4.957 7.234 638 1HE LYS 83 HE2 LYS 83 21.594 6.269 5.292 639 2HE LYS 83 HE1 LYS 83 21.081 4.652 4.810 640 1HZ LYS 83 HZ1 LYS 83 18.847 6.348 4.769 641 2HZ LYS 83 HZ2 LYS 83 19.589 5.558 3.471 642 3HZ LYS 83 HZ3 LYS 83 20.097 7.108 3.918 643 H GLU 84 HN GLU 84 16.358 1.652 9.241 644 HA GLU 84 HA GLU 84 17.646 1.328 11.746 645 1HB GLU 84 HB2 GLU 84 15.143 1.794 11.246 646 2HB GLU 84 HB1 GLU 84 15.011 0.052 11.070 647 1HG GLU 84 HG2 GLU 84 15.725 -0.292 13.327 648 2HG GLU 84 HG1 GLU 84 16.087 1.423 13.518 649 H GLN 85 HN GLN 85 17.007 -0.791 9.067 650 HA GLN 85 HA GLN 85 17.403 -3.240 10.487 651 1HB GLN 85 HB2 GLN 85 16.697 -2.439 7.825 652 2HB GLN 85 HB1 GLN 85 18.013 -3.601 7.736 653 1HG GLN 85 HG2 GLN 85 15.961 -4.412 9.617 654 2HG GLN 85 HG1 GLN 85 15.326 -4.167 7.991 655 1HE2 GLN 85 HE21 GLN 85 16.594 -6.394 10.008 656 2HE2 GLN 85 HE22 GLN 85 17.244 -7.510 8.860 657 H GLU 86 HN GLU 86 19.431 -1.646 11.293 658 HA GLU 86 HA GLU 86 21.793 -2.338 9.753 659 1HB GLU 86 HB2 GLU 86 22.997 -0.827 11.228 660 2HB GLU 86 HB1 GLU 86 21.573 -0.035 10.569 661 1HG GLU 86 HG2 GLU 86 20.382 -0.439 12.666 662 2HG GLU 86 HG1 GLU 86 21.820 -1.217 13.326 663 H GLN 87 HN GLN 87 20.110 -4.232 11.439 664 HA GLN 87 HA GLN 87 22.047 -5.071 13.447 665 1HB GLN 87 HB2 GLN 87 20.313 -6.658 14.158 666 2HB GLN 87 HB1 GLN 87 19.694 -5.015 14.098 667 1HG GLN 87 HG2 GLN 87 18.903 -5.690 11.714 668 2HG GLN 87 HG1 GLN 87 19.084 -7.332 12.326 669 1HE2 GLN 87 HE21 GLN 87 16.860 -5.107 11.765 670 2HE2 GLN 87 HE22 GLN 87 15.739 -5.428 13.040 671 H GLN 88 HN GLN 88 20.412 -6.365 10.567 672 HA GLN 88 HA GLN 88 22.257 -8.638 10.543 673 1HB GLN 88 HB2 GLN 88 19.774 -8.964 10.256 674 2HB GLN 88 HB1 GLN 88 19.911 -8.136 8.711 675 1HG GLN 88 HG2 GLN 88 20.185 -10.184 7.875 676 2HG GLN 88 HG1 GLN 88 21.839 -10.027 8.463 677 1HE2 GLN 88 HE21 GLN 88 21.414 -10.300 11.183 678 2HE2 GLN 88 HE22 GLN 88 20.883 -11.910 11.513 679 H THR 89 HN THR 89 23.222 -5.989 9.902 680 HA THR 89 HA THR 89 23.853 -6.327 7.044 681 HB THR 89 HB THR 89 24.708 -3.796 7.685 682 HG1 THR 89 HG1 THR 89 22.774 -2.948 8.753 683 1HG2 THR 89 HG21 THR 89 23.532 -3.951 5.719 684 2HG2 THR 89 HG22 THR 89 22.397 -3.086 6.755 685 3HG2 THR 89 HG23 THR 89 22.185 -4.812 6.465 686 H GLU 90 HN GLU 90 25.623 -7.604 7.093 687 HA GLU 90 HA GLU 90 27.702 -7.401 9.006 688 1HB GLU 90 HB2 GLU 90 28.968 -8.816 7.309 689 2HB GLU 90 HB1 GLU 90 27.464 -9.486 7.927 690 1HG GLU 90 HG2 GLU 90 26.613 -9.626 5.891 691 2HG GLU 90 HG1 GLU 90 26.956 -7.927 5.573 692 H GLN 91 HN GLN 91 28.957 -5.659 9.195 693 HA GLN 91 HA GLN 91 29.526 -3.940 6.958 694 1HB GLN 91 HB2 GLN 91 29.603 -3.738 9.796 695 2HB GLN 91 HB1 GLN 91 31.208 -3.353 9.193 696 1HG GLN 91 HG2 GLN 91 28.998 -2.076 7.743 697 2HG GLN 91 HG1 GLN 91 29.182 -1.581 9.425 698 1HE2 GLN 91 HE21 GLN 91 30.986 -0.434 10.047 699 2HE2 GLN 91 HE22 GLN 91 32.094 0.256 8.915 700 H ALA 92 HN ALA 92 31.834 -3.249 6.553 701 HA ALA 92 HA ALA 92 33.341 -5.541 5.779 702 1HB ALA 92 HB1 ALA 92 33.183 -2.999 4.862 703 2HB ALA 92 HB2 ALA 92 34.477 -4.124 4.452 704 3HB ALA 92 HB3 ALA 92 34.712 -2.941 5.739 Start of MODEL 30 1 1H GLY 1 HT1 GLY 1 -45.433 -0.349 -10.848 2 2H GLY 1 HT2 GLY 1 -43.971 -0.811 -11.560 3 3H GLY 1 HT3 GLY 1 -44.905 -1.951 -10.729 4 1HA GLY 1 HA1 GLY 1 -45.924 -2.496 -12.596 5 2HA GLY 1 HA2 GLY 1 -46.569 -0.862 -12.656 6 HA PRO 2 HA PRO 2 -44.407 -1.157 -16.660 7 1HB PRO 2 HB2 PRO 2 -45.586 1.565 -16.863 8 2HB PRO 2 HB1 PRO 2 -45.640 0.225 -18.015 9 1HG PRO 2 HG2 PRO 2 -47.784 0.872 -16.570 10 2HG PRO 2 HG1 PRO 2 -47.392 -0.822 -16.918 11 1HD PRO 2 HD2 PRO 2 -47.011 0.734 -14.396 12 2HD PRO 2 HD1 PRO 2 -47.488 -0.962 -14.614 13 H LEU 3 HN LEU 3 -44.351 1.408 -14.271 14 HA LEU 3 HA LEU 3 -41.878 2.503 -15.372 15 1HB LEU 3 HB2 LEU 3 -43.958 3.426 -13.482 16 2HB LEU 3 HB1 LEU 3 -42.325 3.971 -13.153 17 HG LEU 3 HG LEU 3 -43.054 4.318 -15.951 18 1HD1 LEU 3 HD11 LEU 3 -45.102 5.144 -15.752 19 2HD1 LEU 3 HD12 LEU 3 -44.436 6.445 -14.766 20 3HD1 LEU 3 HD13 LEU 3 -45.052 4.982 -13.996 21 1HD2 LEU 3 HD21 LEU 3 -42.263 6.361 -13.888 22 2HD2 LEU 3 HD22 LEU 3 -42.067 6.454 -15.639 23 3HD2 LEU 3 HD23 LEU 3 -41.108 5.308 -14.703 24 H GLY 4 HN GLY 4 -40.477 0.751 -14.890 25 1HA GLY 4 HA2 GLY 4 -40.154 -0.036 -12.108 26 2HA GLY 4 HA1 GLY 4 -39.289 -0.699 -13.486 27 H SER 5 HN SER 5 -38.114 0.038 -11.006 28 HA SER 5 HA SER 5 -36.726 2.546 -11.498 29 1HB SER 5 HB2 SER 5 -37.507 1.253 -9.188 30 2HB SER 5 HB1 SER 5 -35.774 0.930 -9.249 31 HG SER 5 HG SER 5 -37.008 3.483 -9.415 32 HA PRO 6 HA PRO 6 -33.519 0.480 -13.879 33 1HB PRO 6 HB2 PRO 6 -32.047 2.902 -12.934 34 2HB PRO 6 HB1 PRO 6 -32.145 2.209 -14.557 35 1HG PRO 6 HG2 PRO 6 -33.550 4.375 -13.938 36 2HG PRO 6 HG1 PRO 6 -34.251 3.102 -14.955 37 1HD PRO 6 HD2 PRO 6 -34.779 3.749 -12.092 38 2HD PRO 6 HD1 PRO 6 -35.885 3.128 -13.334 39 H ARG 7 HN ARG 7 -32.466 -1.187 -13.009 40 HA ARG 7 HA ARG 7 -31.348 -0.995 -10.332 41 1HB ARG 7 HB2 ARG 7 -31.408 -3.354 -12.221 42 2HB ARG 7 HB1 ARG 7 -30.988 -3.398 -10.515 43 1HG ARG 7 HG2 ARG 7 -33.554 -2.201 -10.774 44 2HG ARG 7 HG1 ARG 7 -33.531 -3.692 -11.716 45 1HD ARG 7 HD2 ARG 7 -32.291 -3.870 -9.055 46 2HD ARG 7 HD1 ARG 7 -34.025 -3.561 -9.053 47 HE ARG 7 HE ARG 7 -32.748 -5.877 -10.360 48 1HH1 ARG 7 HH11 ARG 7 -35.470 -4.420 -8.710 49 2HH1 ARG 7 HH12 ARG 7 -36.382 -5.888 -8.672 50 1HH2 ARG 7 HH21 ARG 7 -33.952 -7.799 -10.299 51 2HH2 ARG 7 HH22 ARG 7 -35.523 -7.804 -9.569 52 H ASN 8 HN ASN 8 -29.164 -1.511 -9.840 53 HA ASN 8 HA ASN 8 -27.321 -0.750 -11.985 54 1HB ASN 8 HB2 ASN 8 -27.240 -0.592 -9.003 55 2HB ASN 8 HB1 ASN 8 -25.715 -0.702 -9.878 56 1HD2 ASN 8 HD21 ASN 8 -24.862 1.249 -9.920 57 2HD2 ASN 8 HD22 ASN 8 -25.684 2.707 -10.350 58 H ALA 9 HN ALA 9 -27.391 -3.059 -9.264 59 HA ALA 9 HA ALA 9 -25.347 -4.700 -10.422 60 1HB ALA 9 HB1 ALA 9 -25.411 -5.914 -8.478 61 2HB ALA 9 HB2 ALA 9 -27.154 -5.726 -8.288 62 3HB ALA 9 HB3 ALA 9 -26.077 -4.380 -7.913 63 H ASN 10 HN ASN 10 -25.917 -5.573 -12.367 64 HA ASN 10 HA ASN 10 -28.450 -7.054 -12.503 65 1HB ASN 10 HB2 ASN 10 -28.000 -7.042 -15.001 66 2HB ASN 10 HB1 ASN 10 -28.344 -5.476 -14.272 67 1HD2 ASN 10 HD21 ASN 10 -26.513 -4.096 -13.782 68 2HD2 ASN 10 HD22 ASN 10 -25.107 -4.178 -14.781 69 H ASP 11 HN ASP 11 -25.079 -7.371 -13.654 70 HA ASP 11 HA ASP 11 -25.398 -10.281 -13.604 71 1HB ASP 11 HB2 ASP 11 -24.189 -8.621 -15.448 72 2HB ASP 11 HB1 ASP 11 -22.820 -9.243 -14.532 73 H ASN 12 HN ASN 12 -24.647 -11.421 -11.945 74 HA ASN 12 HA ASN 12 -23.003 -10.112 -9.947 75 1HB ASN 12 HB2 ASN 12 -25.046 -11.880 -9.726 76 2HB ASN 12 HB1 ASN 12 -23.668 -12.970 -9.606 77 1HD2 ASN 12 HD21 ASN 12 -23.709 -13.461 -7.498 78 2HD2 ASN 12 HD22 ASN 12 -23.551 -12.312 -6.218 79 H ASN 13 HN ASN 13 -21.059 -9.928 -11.168 80 HA ASN 13 HA ASN 13 -19.385 -12.284 -10.929 81 1HB ASN 13 HB2 ASN 13 -20.488 -11.503 -13.447 82 2HB ASN 13 HB1 ASN 13 -18.750 -11.224 -13.489 83 1HD2 ASN 13 HD21 ASN 13 -17.344 -12.965 -13.258 84 2HD2 ASN 13 HD22 ASN 13 -17.870 -14.598 -13.465 85 H GLN 14 HN GLN 14 -19.796 -9.018 -10.578 86 HA GLN 14 HA GLN 14 -17.113 -8.168 -11.178 87 1HB GLN 14 HB2 GLN 14 -19.606 -6.911 -10.637 88 2HB GLN 14 HB1 GLN 14 -18.449 -6.327 -9.450 89 1HG GLN 14 HG2 GLN 14 -17.061 -6.243 -11.843 90 2HG GLN 14 HG1 GLN 14 -18.689 -5.713 -12.264 91 1HE2 GLN 14 HE21 GLN 14 -16.238 -4.177 -12.223 92 2HE2 GLN 14 HE22 GLN 14 -16.490 -2.877 -11.114 93 H PHE 15 HN PHE 15 -19.012 -8.614 -8.196 94 HA PHE 15 HA PHE 15 -16.883 -8.052 -6.436 95 1HB PHE 15 HB2 PHE 15 -19.611 -8.604 -6.196 96 2HB PHE 15 HB1 PHE 15 -18.814 -9.897 -5.306 97 HD1 PHE 15 HD1 PHE 15 -18.311 -6.219 -5.736 98 HD2 PHE 15 HD2 PHE 15 -18.652 -9.512 -3.062 99 HE1 PHE 15 HE1 PHE 15 -17.980 -4.700 -3.829 100 HE2 PHE 15 HE2 PHE 15 -18.323 -7.998 -1.150 101 HZ PHE 15 HZ PHE 15 -17.985 -5.589 -1.533 102 H TYR 16 HN TYR 16 -17.438 -10.736 -8.422 103 HA TYR 16 HA TYR 16 -16.210 -12.714 -6.740 104 1HB TYR 16 HB2 TYR 16 -17.891 -13.214 -8.549 105 2HB TYR 16 HB1 TYR 16 -16.640 -12.834 -9.729 106 HD1 TYR 16 HD1 TYR 16 -17.179 -15.004 -6.735 107 HD2 TYR 16 HD2 TYR 16 -15.363 -14.572 -10.556 108 HE1 TYR 16 HE1 TYR 16 -16.371 -17.322 -6.605 109 HE2 TYR 16 HE2 TYR 16 -14.551 -16.890 -10.440 110 HH TYR 16 HH TYR 16 -14.751 -18.865 -9.325 111 H GLN 17 HN GLN 17 -15.217 -10.981 -9.694 112 HA GLN 17 HA GLN 17 -12.539 -11.987 -9.576 113 1HB GLN 17 HB2 GLN 17 -13.814 -9.781 -11.197 114 2HB GLN 17 HB1 GLN 17 -12.124 -10.237 -11.354 115 1HG GLN 17 HG2 GLN 17 -13.234 -12.640 -11.676 116 2HG GLN 17 HG1 GLN 17 -14.562 -11.636 -12.258 117 1HE2 GLN 17 HE21 GLN 17 -11.994 -13.335 -13.249 118 2HE2 GLN 17 HE22 GLN 17 -11.581 -12.470 -14.687 119 H GLN 18 HN GLN 18 -12.061 -11.391 -7.356 120 HA GLN 18 HA GLN 18 -11.932 -8.659 -6.564 121 1HB GLN 18 HB2 GLN 18 -11.880 -11.035 -5.233 122 2HB GLN 18 HB1 GLN 18 -10.189 -10.564 -5.148 123 1HG GLN 18 HG2 GLN 18 -10.661 -9.218 -3.466 124 2HG GLN 18 HG1 GLN 18 -11.710 -8.276 -4.522 125 1HE2 GLN 18 HE21 GLN 18 -11.980 -8.860 -1.683 126 2HE2 GLN 18 HE22 GLN 18 -13.506 -9.648 -1.494 127 H LYS 19 HN LYS 19 -10.015 -10.408 -8.674 128 HA LYS 19 HA LYS 19 -7.431 -9.516 -8.013 129 1HB LYS 19 HB2 LYS 19 -8.721 -10.601 -10.473 130 2HB LYS 19 HB1 LYS 19 -7.134 -9.859 -10.615 131 1HG LYS 19 HG2 LYS 19 -7.376 -11.790 -8.426 132 2HG LYS 19 HG1 LYS 19 -7.588 -12.472 -10.039 133 1HD LYS 19 HD2 LYS 19 -5.355 -10.633 -9.959 134 2HD LYS 19 HD1 LYS 19 -5.178 -11.908 -8.752 135 1HE LYS 19 HE2 LYS 19 -6.100 -13.075 -11.184 136 2HE LYS 19 HE1 LYS 19 -4.716 -12.045 -11.544 137 1HZ LYS 19 HZ1 LYS 19 -3.338 -13.277 -10.177 138 2HZ LYS 19 HZ2 LYS 19 -4.305 -14.473 -10.881 139 3HZ LYS 19 HZ3 LYS 19 -4.616 -13.957 -9.301 140 H GLN 20 HN GLN 20 -10.111 -7.847 -9.343 141 HA GLN 20 HA GLN 20 -8.712 -5.900 -10.852 142 1HB GLN 20 HB2 GLN 20 -10.774 -4.583 -10.749 143 2HB GLN 20 HB1 GLN 20 -11.114 -6.258 -11.150 144 1HG GLN 20 HG2 GLN 20 -12.069 -6.687 -9.071 145 2HG GLN 20 HG1 GLN 20 -11.323 -5.275 -8.332 146 1HE2 GLN 20 HE21 GLN 20 -14.050 -5.896 -8.152 147 2HE2 GLN 20 HE22 GLN 20 -14.940 -4.655 -8.961 148 H ARG 21 HN ARG 21 -9.844 -6.006 -7.516 149 HA ARG 21 HA ARG 21 -9.072 -3.416 -6.754 150 1HB ARG 21 HB2 ARG 21 -9.579 -5.960 -5.271 151 2HB ARG 21 HB1 ARG 21 -8.996 -4.532 -4.425 152 1HG ARG 21 HG2 ARG 21 -10.965 -3.439 -4.623 153 2HG ARG 21 HG1 ARG 21 -11.310 -4.127 -6.210 154 1HD ARG 21 HD2 ARG 21 -12.005 -6.201 -5.223 155 2HD ARG 21 HD1 ARG 21 -11.497 -5.662 -3.624 156 HE ARG 21 HE ARG 21 -13.819 -4.667 -5.126 157 1HH1 ARG 21 HH11 ARG 21 -12.043 -4.925 -2.123 158 2HH1 ARG 21 HH12 ARG 21 -13.315 -4.236 -1.176 159 1HH2 ARG 21 HH21 ARG 21 -15.479 -3.760 -3.872 160 2HH2 ARG 21 HH22 ARG 21 -15.259 -3.573 -2.164 161 H GLN 22 HN GLN 22 -7.407 -6.525 -6.263 162 HA GLN 22 HA GLN 22 -5.071 -5.399 -5.160 163 1HB GLN 22 HB2 GLN 22 -5.882 -8.045 -6.201 164 2HB GLN 22 HB1 GLN 22 -4.155 -7.715 -6.223 165 1HG GLN 22 HG2 GLN 22 -4.437 -7.034 -3.778 166 2HG GLN 22 HG1 GLN 22 -6.009 -7.829 -3.874 167 1HE2 GLN 22 HE21 GLN 22 -6.043 -9.874 -3.310 168 2HE2 GLN 22 HE22 GLN 22 -4.705 -10.965 -3.336 169 H ALA 23 HN ALA 23 -6.253 -5.483 -8.357 170 HA ALA 23 HA ALA 23 -3.820 -5.534 -9.794 171 1HB ALA 23 HB1 ALA 23 -6.499 -5.425 -10.459 172 2HB ALA 23 HB2 ALA 23 -5.144 -5.392 -11.585 173 3HB ALA 23 HB3 ALA 23 -5.867 -3.881 -11.032 174 H LEU 24 HN LEU 24 -5.918 -2.700 -9.273 175 HA LEU 24 HA LEU 24 -3.834 -0.858 -9.817 176 1HB LEU 24 HB2 LEU 24 -6.627 -0.731 -8.835 177 2HB LEU 24 HB1 LEU 24 -5.629 0.684 -8.611 178 HG LEU 24 HG LEU 24 -6.943 0.894 -10.633 179 1HD1 LEU 24 HD11 LEU 24 -4.717 0.610 -12.241 180 2HD1 LEU 24 HD12 LEU 24 -4.039 0.857 -10.632 181 3HD1 LEU 24 HD13 LEU 24 -5.158 2.040 -11.308 182 1HD2 LEU 24 HD21 LEU 24 -6.503 -0.702 -12.518 183 2HD2 LEU 24 HD22 LEU 24 -7.393 -1.380 -11.155 184 3HD2 LEU 24 HD23 LEU 24 -5.677 -1.739 -11.355 185 H GLY 25 HN GLY 25 -5.100 -2.340 -6.892 186 1HA GLY 25 HA2 GLY 25 -3.964 -0.601 -5.000 187 2HA GLY 25 HA1 GLY 25 -4.331 -2.299 -4.722 188 H GLU 26 HN GLU 26 -2.633 -3.412 -6.676 189 HA GLU 26 HA GLU 26 -0.209 -3.542 -5.259 190 1HB GLU 26 HB2 GLU 26 -1.246 -5.220 -6.952 191 2HB GLU 26 HB1 GLU 26 -0.424 -4.253 -8.168 192 1HG GLU 26 HG2 GLU 26 1.711 -4.693 -7.107 193 2HG GLU 26 HG1 GLU 26 0.904 -5.609 -5.833 194 H GLN 27 HN GLN 27 -1.386 -1.457 -7.770 195 HA GLN 27 HA GLN 27 1.066 -0.500 -8.752 196 1HB GLN 27 HB2 GLN 27 -1.721 0.564 -8.715 197 2HB GLN 27 HB1 GLN 27 -0.417 1.634 -9.191 198 1HG GLN 27 HG2 GLN 27 0.044 -0.659 -10.657 199 2HG GLN 27 HG1 GLN 27 -1.710 -0.502 -10.661 200 1HE2 GLN 27 HE21 GLN 27 -1.359 -0.179 -12.973 201 2HE2 GLN 27 HE22 GLN 27 -0.991 1.408 -13.546 202 H LEU 28 HN LEU 28 -0.731 0.159 -5.859 203 HA LEU 28 HA LEU 28 0.509 2.602 -5.142 204 1HB LEU 28 HB2 LEU 28 -1.598 1.500 -4.155 205 2HB LEU 28 HB1 LEU 28 -0.497 0.544 -3.185 206 HG LEU 28 HG LEU 28 0.449 2.921 -2.510 207 1HD1 LEU 28 HD11 LEU 28 -2.310 3.859 -2.555 208 2HD1 LEU 28 HD12 LEU 28 -1.590 3.726 -4.159 209 3HD1 LEU 28 HD13 LEU 28 -0.813 4.713 -2.925 210 1HD2 LEU 28 HD21 LEU 28 -1.315 1.046 -1.373 211 2HD2 LEU 28 HD22 LEU 28 -1.989 2.639 -1.029 212 3HD2 LEU 28 HD23 LEU 28 -0.337 2.254 -0.545 213 H TYR 29 HN TYR 29 1.319 -0.787 -4.639 214 HA TYR 29 HA TYR 29 3.514 -0.297 -2.879 215 1HB TYR 29 HB2 TYR 29 2.418 -2.445 -2.832 216 2HB TYR 29 HB1 TYR 29 2.784 -2.720 -4.531 217 HD1 TYR 29 HD1 TYR 29 4.779 -1.753 -1.503 218 HD2 TYR 29 HD2 TYR 29 4.374 -4.337 -4.855 219 HE1 TYR 29 HE1 TYR 29 6.872 -2.889 -0.875 220 HE2 TYR 29 HE2 TYR 29 6.459 -5.480 -4.234 221 HH TYR 29 HH TYR 29 8.545 -4.277 -1.725 222 H LYS 30 HN LYS 30 3.359 -1.066 -6.377 223 HA LYS 30 HA LYS 30 6.134 -1.099 -6.783 224 1HB LYS 30 HB2 LYS 30 5.625 -0.728 -9.171 225 2HB LYS 30 HB1 LYS 30 4.646 -1.999 -8.456 226 1HG LYS 30 HG2 LYS 30 2.851 -0.219 -8.158 227 2HG LYS 30 HG1 LYS 30 3.822 0.771 -9.251 228 1HD LYS 30 HD2 LYS 30 3.107 -2.031 -10.014 229 2HD LYS 30 HD1 LYS 30 1.925 -0.739 -10.213 230 1HE LYS 30 HE2 LYS 30 2.962 -0.744 -12.267 231 2HE LYS 30 HE1 LYS 30 3.867 0.502 -11.405 232 1HZ LYS 30 HZ1 LYS 30 5.154 -1.873 -10.857 233 2HZ LYS 30 HZ2 LYS 30 5.684 -0.646 -11.893 234 3HZ LYS 30 HZ3 LYS 30 4.792 -1.944 -12.507 235 H LYS 31 HN LYS 31 3.865 1.545 -6.637 236 HA LYS 31 HA LYS 31 5.443 3.570 -7.779 237 1HB LYS 31 HB2 LYS 31 2.920 3.470 -6.882 238 2HB LYS 31 HB1 LYS 31 3.669 4.254 -5.502 239 1HG LYS 31 HG2 LYS 31 3.152 6.111 -6.664 240 2HG LYS 31 HG1 LYS 31 4.694 5.767 -7.450 241 1HD LYS 31 HD2 LYS 31 2.134 4.617 -8.502 242 2HD LYS 31 HD1 LYS 31 2.633 6.257 -8.924 243 1HE LYS 31 HE2 LYS 31 4.913 4.722 -9.312 244 2HE LYS 31 HE1 LYS 31 3.600 3.709 -9.912 245 1HZ LYS 31 HZ1 LYS 31 4.597 6.255 -10.927 246 2HZ LYS 31 HZ2 LYS 31 2.927 5.997 -11.028 247 3HZ LYS 31 HZ3 LYS 31 3.997 4.914 -11.766 248 H VAL 32 HN VAL 32 5.240 2.326 -4.488 249 HA VAL 32 HA VAL 32 7.098 4.273 -3.427 250 HB VAL 32 HB VAL 32 7.003 2.926 -1.372 251 1HG1 VAL 32 HG11 VAL 32 4.276 3.059 -1.377 252 2HG1 VAL 32 HG12 VAL 32 4.708 4.142 -2.699 253 3HG1 VAL 32 HG13 VAL 32 5.359 4.418 -1.084 254 1HG2 VAL 32 HG21 VAL 32 5.723 0.984 -1.124 255 2HG2 VAL 32 HG22 VAL 32 6.637 0.736 -2.602 256 3HG2 VAL 32 HG23 VAL 32 4.940 1.197 -2.686 257 H SER 33 HN SER 33 7.181 0.864 -4.414 258 HA SER 33 HA SER 33 9.914 0.511 -3.658 259 1HB SER 33 HB2 SER 33 7.903 -1.213 -4.069 260 2HB SER 33 HB1 SER 33 8.653 -1.290 -5.662 261 HG SER 33 HG SER 33 9.866 -1.814 -3.154 262 H ALA 34 HN ALA 34 8.706 2.458 -5.916 263 HA ALA 34 HA ALA 34 9.990 1.827 -8.314 264 1HB ALA 34 HB1 ALA 34 9.555 4.649 -7.408 265 2HB ALA 34 HB2 ALA 34 8.196 3.600 -7.809 266 3HB ALA 34 HB3 ALA 34 9.416 3.966 -9.028 267 H LYS 35 HN LYS 35 11.403 2.548 -5.365 268 HA LYS 35 HA LYS 35 13.790 3.729 -6.600 269 1HB LYS 35 HB2 LYS 35 12.435 4.227 -4.164 270 2HB LYS 35 HB1 LYS 35 13.981 3.509 -3.740 271 1HG LYS 35 HG2 LYS 35 15.125 5.336 -4.321 272 2HG LYS 35 HG1 LYS 35 14.170 5.588 -5.784 273 1HD LYS 35 HD2 LYS 35 12.314 6.293 -4.059 274 2HD LYS 35 HD1 LYS 35 13.706 6.579 -3.011 275 1HE LYS 35 HE2 LYS 35 14.663 8.098 -4.627 276 2HE LYS 35 HE1 LYS 35 13.369 7.746 -5.772 277 1HZ LYS 35 HZ1 LYS 35 12.248 9.416 -4.878 278 2HZ LYS 35 HZ2 LYS 35 13.416 9.641 -3.677 279 3HZ LYS 35 HZ3 LYS 35 12.144 8.557 -3.424 280 H THR 36 HN THR 36 12.544 0.792 -5.446 281 HA THR 36 HA THR 36 14.738 -0.753 -6.124 282 HB THR 36 HB THR 36 16.011 0.169 -4.334 283 HG1 THR 36 HG1 THR 36 14.934 -2.234 -3.298 284 1HG2 THR 36 HG21 THR 36 14.170 1.152 -3.035 285 2HG2 THR 36 HG22 THR 36 15.307 0.249 -2.034 286 3HG2 THR 36 HG23 THR 36 13.748 -0.459 -2.454 287 H SER 37 HN SER 37 14.487 -3.036 -5.479 288 HA SER 37 HA SER 37 11.669 -3.679 -5.139 289 1HB SER 37 HB2 SER 37 14.087 -5.337 -5.865 290 2HB SER 37 HB1 SER 37 12.504 -6.053 -5.556 291 HG SER 37 HG SER 37 12.909 -5.582 -7.794 292 H ASN 38 HN ASN 38 12.762 -2.572 -2.893 293 HA ASN 38 HA ASN 38 13.562 -4.608 -1.019 294 1HB ASN 38 HB2 ASN 38 12.973 -1.669 -0.791 295 2HB ASN 38 HB1 ASN 38 13.254 -2.662 0.637 296 1HD2 ASN 38 HD21 ASN 38 15.032 -1.053 0.830 297 2HD2 ASN 38 HD22 ASN 38 16.535 -1.431 0.067 298 H GLU 39 HN GLU 39 12.070 -6.072 -0.450 299 HA GLU 39 HA GLU 39 9.286 -5.625 -0.439 300 1HB GLU 39 HB2 GLU 39 11.110 -7.797 0.350 301 2HB GLU 39 HB1 GLU 39 9.586 -7.767 1.223 302 1HG GLU 39 HG2 GLU 39 8.416 -8.461 -0.545 303 2HG GLU 39 HG1 GLU 39 9.299 -7.421 -1.661 304 H GLU 40 HN GLU 40 11.737 -5.289 2.039 305 HA GLU 40 HA GLU 40 9.788 -4.938 4.151 306 1HB GLU 40 HB2 GLU 40 12.505 -5.625 4.051 307 2HB GLU 40 HB1 GLU 40 12.457 -4.054 4.842 308 1HG GLU 40 HG2 GLU 40 10.394 -5.561 5.991 309 2HG GLU 40 HG1 GLU 40 11.782 -6.640 5.877 310 H ALA 41 HN ALA 41 11.543 -2.980 1.922 311 HA ALA 41 HA ALA 41 11.292 -0.503 3.356 312 1HB ALA 41 HB1 ALA 41 12.211 0.499 1.413 313 2HB ALA 41 HB2 ALA 41 11.841 -0.906 0.432 314 3HB ALA 41 HB3 ALA 41 13.077 -1.006 1.687 315 H ALA 42 HN ALA 42 10.045 -1.360 0.159 316 HA ALA 42 HA ALA 42 8.073 0.627 0.128 317 1HB ALA 42 HB1 ALA 42 7.127 -0.902 -1.754 318 2HB ALA 42 HB2 ALA 42 8.624 -1.801 -1.519 319 3HB ALA 42 HB3 ALA 42 8.682 -0.099 -1.973 320 H GLY 43 HN GLY 43 8.009 -2.734 1.190 321 1HA GLY 43 HA2 GLY 43 5.194 -2.970 1.381 322 2HA GLY 43 HA1 GLY 43 6.372 -3.953 2.242 323 H LYS 44 HN LYS 44 7.608 -1.499 3.390 324 HA LYS 44 HA LYS 44 6.038 -1.406 5.773 325 1HB LYS 44 HB2 LYS 44 8.678 -0.861 5.110 326 2HB LYS 44 HB1 LYS 44 8.018 0.715 5.517 327 1HG LYS 44 HG2 LYS 44 9.004 -0.329 7.460 328 2HG LYS 44 HG1 LYS 44 7.263 -0.151 7.672 329 1HD LYS 44 HD2 LYS 44 7.803 -2.682 6.453 330 2HD LYS 44 HD1 LYS 44 8.825 -2.502 7.881 331 1HE LYS 44 HE2 LYS 44 6.912 -2.081 9.269 332 2HE LYS 44 HE1 LYS 44 5.847 -2.028 7.865 333 1HZ LYS 44 HZ1 LYS 44 5.518 -4.145 8.659 334 2HZ LYS 44 HZ2 LYS 44 7.127 -4.354 9.134 335 3HZ LYS 44 HZ3 LYS 44 6.714 -4.421 7.496 336 H ILE 45 HN ILE 45 7.073 1.189 3.574 337 HA ILE 45 HA ILE 45 5.294 3.097 4.602 338 HB ILE 45 HB ILE 45 5.765 4.377 2.534 339 1HG1 ILE 45 HG12 ILE 45 7.382 1.934 1.802 340 2HG1 ILE 45 HG11 ILE 45 5.963 2.537 0.948 341 1HG2 ILE 45 HG21 ILE 45 8.194 3.165 3.842 342 2HG2 ILE 45 HG22 ILE 45 7.219 4.466 4.522 343 3HG2 ILE 45 HG23 ILE 45 8.115 4.726 3.026 344 1HD1 ILE 45 HD11 ILE 45 8.474 3.080 0.213 345 2HD1 ILE 45 HD12 ILE 45 8.178 4.443 1.294 346 3HD1 ILE 45 HD13 ILE 45 7.119 4.172 -0.084 347 H THR 46 HN THR 46 4.926 0.707 2.036 348 HA THR 46 HA THR 46 2.576 1.744 0.884 349 HB THR 46 HB THR 46 3.559 -1.110 1.119 350 HG1 THR 46 HG1 THR 46 3.565 0.743 -1.024 351 1HG2 THR 46 HG21 THR 46 2.037 -1.718 -0.652 352 2HG2 THR 46 HG22 THR 46 1.362 -0.091 -0.668 353 3HG2 THR 46 HG23 THR 46 1.132 -1.124 0.742 354 H GLY 47 HN GLY 47 3.187 -0.107 3.784 355 1HA GLY 47 HA2 GLY 47 0.555 -0.928 4.343 356 2HA GLY 47 HA1 GLY 47 1.833 -0.705 5.531 357 H MET 48 HN MET 48 2.258 2.089 4.895 358 HA MET 48 HA MET 48 0.330 3.229 6.645 359 1HB MET 48 HB2 MET 48 2.282 4.663 4.833 360 2HB MET 48 HB1 MET 48 1.471 5.336 6.242 361 1HG MET 48 HG2 MET 48 2.639 3.437 7.537 362 2HG MET 48 HG1 MET 48 3.680 3.329 6.119 363 1HE MET 48 HE1 MET 48 6.206 4.904 6.466 364 2HE MET 48 HE2 MET 48 5.559 3.529 7.359 365 3HE MET 48 HE3 MET 48 6.187 4.928 8.230 366 H ILE 49 HN ILE 49 0.968 3.638 3.161 367 HA ILE 49 HA ILE 49 -1.385 5.205 2.723 368 HB ILE 49 HB ILE 49 0.132 3.675 0.615 369 1HG1 ILE 49 HG12 ILE 49 0.983 6.380 0.693 370 2HG1 ILE 49 HG11 ILE 49 1.117 5.750 2.333 371 1HG2 ILE 49 HG21 ILE 49 -1.729 4.545 -0.414 372 2HG2 ILE 49 HG22 ILE 49 -0.571 5.855 -0.641 373 3HG2 ILE 49 HG23 ILE 49 -1.781 5.960 0.638 374 1HD1 ILE 49 HD11 ILE 49 3.143 5.121 1.580 375 2HD1 ILE 49 HD12 ILE 49 2.620 5.046 -0.102 376 3HD1 ILE 49 HD13 ILE 49 2.235 3.725 1.001 377 H LEU 50 HN LEU 50 -1.056 2.084 3.570 378 HA LEU 50 HA LEU 50 -2.864 0.749 1.821 379 1HB LEU 50 HB2 LEU 50 -1.022 -0.087 3.561 380 2HB LEU 50 HB1 LEU 50 -2.432 -0.209 4.592 381 HG LEU 50 HG LEU 50 -3.418 -1.869 3.249 382 1HD1 LEU 50 HD11 LEU 50 -1.665 -0.770 1.129 383 2HD1 LEU 50 HD12 LEU 50 -3.331 -1.341 1.041 384 3HD1 LEU 50 HD13 LEU 50 -2.002 -2.499 1.075 385 1HD2 LEU 50 HD21 LEU 50 -1.971 -3.550 3.657 386 2HD2 LEU 50 HD22 LEU 50 -1.054 -2.268 4.449 387 3HD2 LEU 50 HD23 LEU 50 -0.647 -2.756 2.806 388 H ASP 51 HN ASP 51 -3.596 3.280 3.580 389 HA ASP 51 HA ASP 51 -5.892 2.259 5.020 390 1HB ASP 51 HB2 ASP 51 -4.656 4.989 4.719 391 2HB ASP 51 HB1 ASP 51 -6.238 4.773 5.463 392 H LEU 52 HN LEU 52 -5.142 3.581 1.931 393 HA LEU 52 HA LEU 52 -7.718 4.639 1.329 394 1HB LEU 52 HB2 LEU 52 -5.326 3.863 -0.305 395 2HB LEU 52 HB1 LEU 52 -6.842 4.249 -1.096 396 HG LEU 52 HG LEU 52 -6.812 6.490 -0.166 397 1HD1 LEU 52 HD11 LEU 52 -5.682 5.887 1.963 398 2HD1 LEU 52 HD12 LEU 52 -5.013 7.319 1.181 399 3HD1 LEU 52 HD13 LEU 52 -4.162 5.777 1.077 400 1HD2 LEU 52 HD21 LEU 52 -5.727 6.307 -2.261 401 2HD2 LEU 52 HD22 LEU 52 -4.283 5.605 -1.533 402 3HD2 LEU 52 HD23 LEU 52 -4.680 7.298 -1.244 403 HA PRO 53 HA PRO 53 -9.949 0.805 0.968 404 1HB PRO 53 HB2 PRO 53 -11.518 2.308 -1.058 405 2HB PRO 53 HB1 PRO 53 -12.072 1.426 0.365 406 1HG PRO 53 HG2 PRO 53 -11.996 4.109 0.307 407 2HG PRO 53 HG1 PRO 53 -11.673 3.190 1.788 408 1HD PRO 53 HD2 PRO 53 -9.786 4.628 0.000 409 2HD PRO 53 HD1 PRO 53 -9.687 4.330 1.746 410 HA PRO 54 HA PRO 54 -8.441 -1.497 -2.460 411 1HB PRO 54 HB2 PRO 54 -11.308 -2.104 -3.075 412 2HB PRO 54 HB1 PRO 54 -9.930 -3.202 -2.948 413 1HG PRO 54 HG2 PRO 54 -11.674 -3.016 -0.957 414 2HG PRO 54 HG1 PRO 54 -9.937 -3.152 -0.623 415 1HD PRO 54 HD2 PRO 54 -11.725 -0.777 -0.440 416 2HD PRO 54 HD1 PRO 54 -10.314 -1.209 0.546 417 H GLN 55 HN GLN 55 -11.599 -0.352 -3.671 418 HA GLN 55 HA GLN 55 -10.407 0.345 -6.191 419 1HB GLN 55 HB2 GLN 55 -12.682 1.129 -6.808 420 2HB GLN 55 HB1 GLN 55 -12.639 -0.535 -6.241 421 1HG GLN 55 HG2 GLN 55 -13.807 -0.069 -4.346 422 2HG GLN 55 HG1 GLN 55 -13.219 1.589 -4.256 423 1HE2 GLN 55 HE21 GLN 55 -14.916 -0.268 -6.758 424 2HE2 GLN 55 HE22 GLN 55 -16.222 0.848 -6.942 425 H GLU 56 HN GLU 56 -11.501 2.076 -3.339 426 HA GLU 56 HA GLU 56 -11.415 4.672 -4.434 427 1HB GLU 56 HB2 GLU 56 -12.476 3.917 -2.233 428 2HB GLU 56 HB1 GLU 56 -10.862 4.046 -1.547 429 1HG GLU 56 HG2 GLU 56 -10.799 6.340 -1.777 430 2HG GLU 56 HG1 GLU 56 -12.040 6.350 -3.030 431 H VAL 57 HN VAL 57 -8.879 2.534 -3.572 432 HA VAL 57 HA VAL 57 -6.954 4.653 -3.113 433 HB VAL 57 HB VAL 57 -6.708 2.524 -1.894 434 1HG1 VAL 57 HG11 VAL 57 -5.545 0.740 -3.577 435 2HG1 VAL 57 HG12 VAL 57 -6.813 1.411 -4.596 436 3HG1 VAL 57 HG13 VAL 57 -7.223 0.678 -3.050 437 1HG2 VAL 57 HG21 VAL 57 -4.314 2.513 -3.623 438 2HG2 VAL 57 HG22 VAL 57 -4.446 2.638 -1.869 439 3HG2 VAL 57 HG23 VAL 57 -4.741 4.054 -2.878 440 H PHE 58 HN PHE 58 -8.082 2.644 -5.690 441 HA PHE 58 HA PHE 58 -6.116 2.535 -7.524 442 1HB PHE 58 HB2 PHE 58 -9.022 3.162 -7.958 443 2HB PHE 58 HB1 PHE 58 -7.909 2.947 -9.297 444 HD1 PHE 58 HD1 PHE 58 -9.435 1.187 -10.053 445 HD2 PHE 58 HD2 PHE 58 -7.299 0.897 -6.389 446 HE1 PHE 58 HE1 PHE 58 -9.848 -1.229 -10.019 447 HE2 PHE 58 HE2 PHE 58 -7.719 -1.533 -6.337 448 HZ PHE 58 HZ PHE 58 -8.996 -2.589 -8.166 449 HA PRO 59 HA PRO 59 -7.084 7.090 -9.087 450 1HB PRO 59 HB2 PRO 59 -7.976 8.284 -6.527 451 2HB PRO 59 HB1 PRO 59 -8.583 8.546 -8.165 452 1HG PRO 59 HG2 PRO 59 -9.975 7.120 -6.388 453 2HG PRO 59 HG1 PRO 59 -9.940 6.672 -8.104 454 1HD PRO 59 HD2 PRO 59 -8.476 5.462 -5.795 455 2HD PRO 59 HD1 PRO 59 -9.225 4.673 -7.193 456 H LEU 60 HN LEU 60 -6.074 6.572 -5.722 457 HA LEU 60 HA LEU 60 -4.091 8.654 -5.840 458 1HB LEU 60 HB2 LEU 60 -5.309 7.971 -3.755 459 2HB LEU 60 HB1 LEU 60 -4.371 6.489 -3.767 460 HG LEU 60 HG LEU 60 -3.607 8.471 -2.271 461 1HD1 LEU 60 HD11 LEU 60 -1.775 6.923 -4.072 462 2HD1 LEU 60 HD12 LEU 60 -2.303 6.498 -2.446 463 3HD1 LEU 60 HD13 LEU 60 -1.224 7.870 -2.693 464 1HD2 LEU 60 HD21 LEU 60 -2.177 9.311 -4.751 465 2HD2 LEU 60 HD22 LEU 60 -2.347 10.163 -3.215 466 3HD2 LEU 60 HD23 LEU 60 -3.728 10.023 -4.304 467 H LEU 61 HN LEU 61 -4.033 5.121 -5.888 468 HA LEU 61 HA LEU 61 -1.243 4.842 -5.855 469 1HB LEU 61 HB2 LEU 61 -1.734 2.610 -7.013 470 2HB LEU 61 HB1 LEU 61 -2.393 2.878 -5.414 471 HG LEU 61 HG LEU 61 -4.491 3.694 -6.831 472 1HD1 LEU 61 HD11 LEU 61 -4.727 2.008 -8.720 473 2HD1 LEU 61 HD12 LEU 61 -2.974 1.875 -8.653 474 3HD1 LEU 61 HD13 LEU 61 -3.724 3.427 -9.013 475 1HD2 LEU 61 HD21 LEU 61 -5.095 2.074 -5.408 476 2HD2 LEU 61 HD22 LEU 61 -3.627 1.146 -5.681 477 3HD2 LEU 61 HD23 LEU 61 -4.968 1.030 -6.817 478 H GLU 62 HN GLU 62 -3.226 6.082 -8.329 479 HA GLU 62 HA GLU 62 -1.121 5.556 -10.314 480 1HB GLU 62 HB2 GLU 62 -2.824 6.001 -12.035 481 2HB GLU 62 HB1 GLU 62 -3.265 4.652 -10.999 482 1HG GLU 62 HG2 GLU 62 -5.143 5.644 -10.364 483 2HG GLU 62 HG1 GLU 62 -4.310 7.151 -9.989 484 H SER 63 HN SER 63 -2.310 7.933 -8.294 485 HA SER 63 HA SER 63 -1.627 10.124 -10.122 486 1HB SER 63 HB2 SER 63 -3.100 10.018 -7.493 487 2HB SER 63 HB1 SER 63 -2.529 11.542 -8.172 488 HG SER 63 HG SER 63 -4.117 9.739 -9.661 489 H ASP 64 HN ASP 64 0.489 10.580 -10.135 490 HA ASP 64 HA ASP 64 2.332 9.933 -8.146 491 1HB ASP 64 HB2 ASP 64 2.368 11.803 -10.479 492 2HB ASP 64 HB1 ASP 64 3.701 11.836 -9.328 493 H GLU 65 HN GLU 65 1.145 13.217 -8.925 494 HA GLU 65 HA GLU 65 2.295 14.588 -6.843 495 1HB GLU 65 HB2 GLU 65 0.360 15.131 -8.791 496 2HB GLU 65 HB1 GLU 65 -0.407 15.536 -7.263 497 1HG GLU 65 HG2 GLU 65 1.106 17.205 -6.788 498 2HG GLU 65 HG1 GLU 65 2.346 16.526 -7.841 499 H LEU 66 HN LEU 66 -0.981 13.193 -6.826 500 HA LEU 66 HA LEU 66 -1.549 13.750 -4.139 501 1HB LEU 66 HB2 LEU 66 -2.922 12.747 -6.254 502 2HB LEU 66 HB1 LEU 66 -2.716 11.301 -5.296 503 HG LEU 66 HG LEU 66 -4.840 12.281 -4.765 504 1HD1 LEU 66 HD11 LEU 66 -4.296 13.031 -2.297 505 2HD1 LEU 66 HD12 LEU 66 -2.708 12.383 -2.704 506 3HD1 LEU 66 HD13 LEU 66 -4.135 11.352 -2.811 507 1HD2 LEU 66 HD21 LEU 66 -4.544 14.647 -3.531 508 2HD2 LEU 66 HD22 LEU 66 -4.931 14.482 -5.244 509 3HD2 LEU 66 HD23 LEU 66 -3.266 14.772 -4.741 510 H PHE 67 HN PHE 67 -0.102 10.936 -5.689 511 HA PHE 67 HA PHE 67 0.083 9.219 -3.493 512 1HB PHE 67 HB2 PHE 67 0.701 8.776 -5.971 513 2HB PHE 67 HB1 PHE 67 2.288 9.398 -5.533 514 HD1 PHE 67 HD1 PHE 67 3.709 8.161 -3.939 515 HD2 PHE 67 HD2 PHE 67 -0.059 6.655 -5.232 516 HE1 PHE 67 HE1 PHE 67 4.301 5.948 -3.075 517 HE2 PHE 67 HE2 PHE 67 0.541 4.432 -4.374 518 HZ PHE 67 HZ PHE 67 2.720 4.076 -3.291 519 H GLU 68 HN GLU 68 2.490 11.530 -4.715 520 HA GLU 68 HA GLU 68 4.546 11.207 -2.985 521 1HB GLU 68 HB2 GLU 68 3.471 13.459 -4.521 522 2HB GLU 68 HB1 GLU 68 4.434 13.948 -3.134 523 1HG GLU 68 HG2 GLU 68 6.231 12.410 -3.976 524 2HG GLU 68 HG1 GLU 68 5.281 12.235 -5.451 525 H GLN 69 HN GLN 69 1.588 13.061 -2.318 526 HA GLN 69 HA GLN 69 2.311 14.146 0.142 527 1HB GLN 69 HB2 GLN 69 0.051 14.161 -1.421 528 2HB GLN 69 HB1 GLN 69 -0.485 13.273 -0.001 529 1HG GLN 69 HG2 GLN 69 1.017 15.784 0.449 530 2HG GLN 69 HG1 GLN 69 -0.627 15.914 -0.176 531 1HE2 GLN 69 HE21 GLN 69 -1.666 16.673 1.577 532 2HE2 GLN 69 HE22 GLN 69 -1.770 15.844 3.089 533 H HIS 70 HN HIS 70 0.286 11.263 -0.321 534 HA HIS 70 HA HIS 70 0.408 10.429 2.372 535 1HB HIS 70 HB2 HIS 70 -0.110 8.791 -0.123 536 2HB HIS 70 HB1 HIS 70 -0.393 8.231 1.523 537 HD2 HIS 70 HD2 HIS 70 -2.366 9.743 -1.245 538 HE1 HIS 70 HE1 HIS 70 -4.349 10.959 2.306 539 HE2 HIS 70 HE2 HIS 70 -4.528 10.698 -0.195 540 H TYR 71 HN TYR 71 2.162 9.281 -0.490 541 HA TYR 71 HA TYR 71 3.822 7.452 0.819 542 1HB TYR 71 HB2 TYR 71 3.756 7.188 -1.473 543 2HB TYR 71 HB1 TYR 71 3.894 8.910 -1.789 544 HD1 TYR 71 HD1 TYR 71 5.831 9.571 -2.808 545 HD2 TYR 71 HD2 TYR 71 5.963 6.221 -0.190 546 HE1 TYR 71 HE1 TYR 71 8.220 9.287 -3.304 547 HE2 TYR 71 HE2 TYR 71 8.355 5.927 -0.677 548 HH TYR 71 HH TYR 71 10.243 7.226 -1.483 549 H LYS 72 HN LYS 72 3.828 10.860 0.957 550 HA LYS 72 HA LYS 72 6.610 11.307 1.338 551 1HB LYS 72 HB2 LYS 72 4.931 13.077 0.740 552 2HB LYS 72 HB1 LYS 72 4.330 12.988 2.387 553 1HG LYS 72 HG2 LYS 72 7.067 13.333 2.667 554 2HG LYS 72 HG1 LYS 72 6.620 14.387 1.325 555 1HD LYS 72 HD2 LYS 72 4.812 15.329 2.751 556 2HD LYS 72 HD1 LYS 72 5.424 14.360 4.092 557 1HE LYS 72 HE2 LYS 72 6.683 16.151 4.562 558 2HE LYS 72 HE1 LYS 72 7.688 15.610 3.219 559 1HZ LYS 72 HZ1 LYS 72 5.386 17.322 2.627 560 2HZ LYS 72 HZ2 LYS 72 6.883 17.219 1.846 561 3HZ LYS 72 HZ3 LYS 72 6.754 18.037 3.320 562 H GLU 73 HN GLU 73 3.916 11.297 3.688 563 HA GLU 73 HA GLU 73 5.408 11.481 6.006 564 1HB GLU 73 HB2 GLU 73 2.731 10.425 5.320 565 2HB GLU 73 HB1 GLU 73 3.401 9.878 6.849 566 1HG GLU 73 HG2 GLU 73 2.469 11.726 7.674 567 2HG GLU 73 HG1 GLU 73 3.879 12.540 6.997 568 H ALA 74 HN ALA 74 4.642 8.649 4.072 569 HA ALA 74 HA ALA 74 5.765 6.752 5.880 570 1HB ALA 74 HB1 ALA 74 4.866 5.254 4.488 571 2HB ALA 74 HB2 ALA 74 5.683 5.949 3.087 572 3HB ALA 74 HB3 ALA 74 4.161 6.635 3.649 573 H SER 75 HN SER 75 6.949 8.618 3.160 574 HA SER 75 HA SER 75 9.329 7.261 2.644 575 1HB SER 75 HB2 SER 75 8.647 8.981 1.136 576 2HB SER 75 HB1 SER 75 8.653 10.198 2.416 577 HG SER 75 HG SER 75 10.667 9.409 0.827 578 H ALA 76 HN ALA 76 8.738 9.982 4.866 579 HA ALA 76 HA ALA 76 11.233 10.304 5.965 580 1HB ALA 76 HB1 ALA 76 8.490 10.791 6.859 581 2HB ALA 76 HB2 ALA 76 9.916 11.821 6.965 582 3HB ALA 76 HB3 ALA 76 9.642 10.570 8.177 583 H ALA 77 HN ALA 77 8.786 7.916 6.838 584 HA ALA 77 HA ALA 77 10.407 6.659 8.860 585 1HB ALA 77 HB1 ALA 77 8.642 5.083 9.097 586 2HB ALA 77 HB2 ALA 77 7.979 5.490 7.517 587 3HB ALA 77 HB3 ALA 77 7.889 6.657 8.834 588 H TYR 78 HN TYR 78 9.941 6.375 5.464 589 HA TYR 78 HA TYR 78 10.758 3.799 4.864 590 1HB TYR 78 HB2 TYR 78 9.999 5.685 3.286 591 2HB TYR 78 HB1 TYR 78 11.672 6.218 3.303 592 HD1 TYR 78 HD1 TYR 78 9.840 5.190 0.977 593 HD2 TYR 78 HD2 TYR 78 12.900 3.398 3.322 594 HE1 TYR 78 HE1 TYR 78 10.329 3.641 -0.876 595 HE2 TYR 78 HE2 TYR 78 13.412 1.850 1.511 596 HH TYR 78 HH TYR 78 11.392 1.397 -1.162 597 H GLU 79 HN GLU 79 12.783 6.702 5.172 598 HA GLU 79 HA GLU 79 15.248 5.398 4.894 599 1HB GLU 79 HB2 GLU 79 14.456 8.028 6.111 600 2HB GLU 79 HB1 GLU 79 16.130 7.492 6.076 601 1HG GLU 79 HG2 GLU 79 14.694 7.350 3.514 602 2HG GLU 79 HG1 GLU 79 14.975 8.970 4.148 603 H SER 80 HN SER 80 13.276 6.088 7.721 604 HA SER 80 HA SER 80 15.125 5.452 9.697 605 1HB SER 80 HB2 SER 80 12.271 5.902 9.551 606 2HB SER 80 HB1 SER 80 12.648 4.615 10.695 607 HG SER 80 HG SER 80 12.688 6.746 11.619 608 H PHE 81 HN PHE 81 12.676 3.346 8.177 609 HA PHE 81 HA PHE 81 13.487 1.025 9.571 610 1HB PHE 81 HB2 PHE 81 11.789 1.486 7.137 611 2HB PHE 81 HB1 PHE 81 12.185 -0.142 7.672 612 HD1 PHE 81 HD1 PHE 81 10.722 -1.193 9.091 613 HD2 PHE 81 HD2 PHE 81 10.866 3.057 9.069 614 HE1 PHE 81 HE1 PHE 81 8.851 -1.126 10.687 615 HE2 PHE 81 HE2 PHE 81 8.994 3.135 10.664 616 HZ PHE 81 HZ PHE 81 7.985 1.040 11.476 617 H LYS 82 HN LYS 82 14.280 2.254 6.323 618 HA LYS 82 HA LYS 82 15.810 -0.025 5.595 619 1HB LYS 82 HB2 LYS 82 16.630 1.324 3.730 620 2HB LYS 82 HB1 LYS 82 14.885 1.453 3.898 621 1HG LYS 82 HG2 LYS 82 15.396 3.636 3.564 622 2HG LYS 82 HG1 LYS 82 15.528 3.571 5.323 623 1HD LYS 82 HD2 LYS 82 17.515 4.572 4.885 624 2HD LYS 82 HD1 LYS 82 18.037 2.901 4.694 625 1HE LYS 82 HE2 LYS 82 17.349 3.254 2.214 626 2HE LYS 82 HE1 LYS 82 17.470 4.969 2.610 627 1HZ LYS 82 HZ1 LYS 82 19.584 2.935 2.498 628 2HZ LYS 82 HZ2 LYS 82 19.763 4.232 3.568 629 3HZ LYS 82 HZ3 LYS 82 19.585 4.522 1.911 630 H LYS 83 HN LYS 83 16.600 3.039 7.161 631 HA LYS 83 HA LYS 83 19.435 2.674 7.044 632 1HB LYS 83 HB2 LYS 83 17.671 4.492 8.681 633 2HB LYS 83 HB1 LYS 83 19.419 4.468 8.859 634 1HG LYS 83 HG2 LYS 83 19.672 5.095 6.513 635 2HG LYS 83 HG1 LYS 83 17.919 5.118 6.337 636 1HD LYS 83 HD2 LYS 83 18.286 7.335 6.733 637 2HD LYS 83 HD1 LYS 83 18.084 6.768 8.392 638 1HE LYS 83 HE2 LYS 83 20.818 6.456 7.596 639 2HE LYS 83 HE1 LYS 83 20.294 8.107 7.269 640 1HZ LYS 83 HZ1 LYS 83 21.118 7.156 9.671 641 2HZ LYS 83 HZ2 LYS 83 19.435 7.141 9.831 642 3HZ LYS 83 HZ3 LYS 83 20.233 8.578 9.430 643 H GLU 84 HN GLU 84 16.925 1.934 9.399 644 HA GLU 84 HA GLU 84 18.775 1.119 11.438 645 1HB GLU 84 HB2 GLU 84 16.469 2.029 11.862 646 2HB GLU 84 HB1 GLU 84 15.824 0.505 11.272 647 1HG GLU 84 HG2 GLU 84 17.648 -0.292 13.165 648 2HG GLU 84 HG1 GLU 84 16.970 1.180 13.858 649 H GLN 85 HN GLN 85 18.199 -0.274 8.578 650 HA GLN 85 HA GLN 85 17.783 -2.999 9.408 651 1HB GLN 85 HB2 GLN 85 18.289 -1.625 6.794 652 2HB GLN 85 HB1 GLN 85 18.489 -3.367 6.910 653 1HG GLN 85 HG2 GLN 85 15.975 -2.209 7.960 654 2HG GLN 85 HG1 GLN 85 16.199 -2.235 6.211 655 1HE2 GLN 85 HE21 GLN 85 15.760 -4.129 9.076 656 2HE2 GLN 85 HE22 GLN 85 15.469 -5.638 8.286 657 H GLU 86 HN GLU 86 19.390 -3.858 10.590 658 HA GLU 86 HA GLU 86 22.154 -3.250 10.120 659 1HB GLU 86 HB2 GLU 86 20.795 -5.279 11.897 660 2HB GLU 86 HB1 GLU 86 22.537 -5.042 11.845 661 1HG GLU 86 HG2 GLU 86 22.451 -3.158 13.057 662 2HG GLU 86 HG1 GLU 86 20.970 -2.600 12.279 663 H GLN 87 HN GLN 87 20.086 -5.071 8.374 664 HA GLN 87 HA GLN 87 21.874 -7.305 7.865 665 1HB GLN 87 HB2 GLN 87 19.176 -7.157 7.920 666 2HB GLN 87 HB1 GLN 87 19.456 -6.917 6.201 667 1HG GLN 87 HG2 GLN 87 20.795 -9.008 6.191 668 2HG GLN 87 HG1 GLN 87 20.326 -9.261 7.872 669 1HE2 GLN 87 HE21 GLN 87 19.363 -9.429 4.579 670 2HE2 GLN 87 HE22 GLN 87 17.809 -10.138 4.839 671 H GLN 88 HN GLN 88 20.696 -4.378 6.319 672 HA GLN 88 HA GLN 88 22.179 -4.968 3.880 673 1HB GLN 88 HB2 GLN 88 21.133 -2.960 2.973 674 2HB GLN 88 HB1 GLN 88 19.921 -4.021 3.678 675 1HG GLN 88 HG2 GLN 88 20.068 -2.582 5.754 676 2HG GLN 88 HG1 GLN 88 21.000 -1.446 4.781 677 1HE2 GLN 88 HE21 GLN 88 17.963 -3.272 4.713 678 2HE2 GLN 88 HE22 GLN 88 17.027 -2.024 3.970 679 H THR 89 HN THR 89 24.277 -4.528 3.875 680 HA THR 89 HA THR 89 25.238 -2.194 5.386 681 HB THR 89 HB THR 89 26.298 -4.207 6.134 682 HG1 THR 89 HG1 THR 89 28.147 -3.019 4.353 683 1HG2 THR 89 HG21 THR 89 27.839 -5.289 4.211 684 2HG2 THR 89 HG22 THR 89 26.396 -4.881 3.281 685 3HG2 THR 89 HG23 THR 89 26.268 -5.923 4.698 686 H GLU 90 HN GLU 90 24.785 -0.640 3.812 687 HA GLU 90 HA GLU 90 25.809 -0.905 1.132 688 1HB GLU 90 HB2 GLU 90 23.705 0.330 1.723 689 2HB GLU 90 HB1 GLU 90 24.703 1.560 2.483 690 1HG GLU 90 HG2 GLU 90 24.518 2.555 0.482 691 2HG GLU 90 HG1 GLU 90 25.846 1.480 0.054 692 H GLN 91 HN GLN 91 27.348 -0.345 3.968 693 HA GLN 91 HA GLN 91 29.093 1.789 3.068 694 1HB GLN 91 HB2 GLN 91 30.246 1.380 5.256 695 2HB GLN 91 HB1 GLN 91 28.546 1.804 5.399 696 1HG GLN 91 HG2 GLN 91 28.048 -0.111 6.406 697 2HG GLN 91 HG1 GLN 91 28.951 -1.060 5.226 698 1HE2 GLN 91 HE21 GLN 91 31.444 -0.604 5.482 699 2HE2 GLN 91 HE22 GLN 91 32.031 -0.801 7.095 700 H ALA 92 HN ALA 92 29.853 0.614 1.167 701 HA ALA 92 HA ALA 92 31.388 -1.775 1.452 702 1HB ALA 92 HB1 ALA 92 30.577 -1.599 -0.679 703 2HB ALA 92 HB2 ALA 92 32.203 -0.958 -0.914 704 3HB ALA 92 HB3 ALA 92 30.835 0.145 -0.753
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