NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
5638 | 1hqi | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 0.398 19.952 -0.128 2 2H MET 1 HT3 MET 1 0.742 21.540 0.358 3 3H MET 1 HT2 MET 1 0.801 21.126 -1.288 4 HA MET 1 HA MET 1 2.693 19.719 -0.941 5 1HB MET 1 HB2 MET 1 2.723 22.437 -0.895 6 2HB MET 1 HB1 MET 1 3.520 22.089 0.640 7 1HG MET 1 HG2 MET 1 5.365 21.984 -0.731 8 2HG MET 1 HG1 MET 1 4.819 20.315 -0.896 9 1HE MET 1 HE1 MET 1 6.293 20.243 -2.748 10 2HE MET 1 HE3 MET 1 4.929 19.362 -3.451 11 3HE MET 1 HE2 MET 1 5.806 20.549 -4.414 12 H SER 2 HN SER 2 1.092 18.626 1.021 13 HA SER 2 HA SER 2 3.055 18.071 3.108 14 1HB SER 2 HB2 SER 2 0.637 18.771 4.511 15 2HB SER 2 HB1 SER 2 2.266 19.400 4.743 16 HG SER 2 HG SER 2 1.076 21.119 4.094 17 H SER 3 HN SER 3 -0.460 17.865 2.437 18 HA SER 3 HA SER 3 -1.084 15.496 3.722 19 1HB SER 3 HB2 SER 3 -1.977 16.185 0.911 20 2HB SER 3 HB1 SER 3 -2.818 15.140 2.053 21 HG SER 3 HG SER 3 -3.553 16.846 3.056 22 H LEU 4 HN LEU 4 0.174 13.671 3.748 23 HA LEU 4 HA LEU 4 1.013 12.599 1.103 24 1HB LEU 4 HB2 LEU 4 2.995 11.632 2.539 25 2HB LEU 4 HB1 LEU 4 3.089 13.272 1.905 26 HG LEU 4 HG LEU 4 2.031 14.017 4.122 27 1HD1 LEU 4 HD11 LEU 4 1.999 11.174 4.464 28 2HD1 LEU 4 HD13 LEU 4 3.080 11.867 5.673 29 3HD1 LEU 4 HD12 LEU 4 1.407 12.413 5.570 30 1HD2 LEU 4 HD23 LEU 4 4.474 14.214 3.490 31 2HD2 LEU 4 HD22 LEU 4 4.180 14.091 5.225 32 3HD2 LEU 4 HD21 LEU 4 4.746 12.684 4.325 33 H VAL 5 HN VAL 5 1.216 10.294 1.014 34 HA VAL 5 HA VAL 5 -0.408 8.902 3.105 35 HB VAL 5 HB VAL 5 -1.446 7.683 1.430 36 1HG1 VAL 5 HG11 VAL 5 -1.431 10.383 1.165 37 2HG1 VAL 5 HG13 VAL 5 -0.941 9.879 -0.452 38 3HG1 VAL 5 HG12 VAL 5 -2.463 9.302 0.228 39 1HG2 VAL 5 HG23 VAL 5 1.155 7.921 0.095 40 2HG2 VAL 5 HG22 VAL 5 -0.035 6.626 -0.009 41 3HG2 VAL 5 HG21 VAL 5 -0.205 8.062 -1.018 42 H TYR 6 HN TYR 6 0.261 6.313 1.812 43 HA TYR 6 HA TYR 6 2.990 5.807 1.586 44 1HB TYR 6 HB2 TYR 6 3.870 6.079 3.644 45 2HB TYR 6 HB1 TYR 6 2.303 6.608 4.238 46 HD1 TYR 6 HD1 TYR 6 0.608 4.780 4.921 47 HD2 TYR 6 HD2 TYR 6 4.799 4.044 4.366 48 HE1 TYR 6 HE1 TYR 6 0.416 2.712 6.263 49 HE2 TYR 6 HE2 TYR 6 4.612 1.974 5.711 50 HH TYR 6 HH TYR 6 3.291 0.724 6.986 51 H ILE 7 HN ILE 7 3.326 3.679 1.136 52 HA ILE 7 HA ILE 7 1.198 1.728 1.876 53 HB ILE 7 HB ILE 7 1.219 0.841 -0.420 54 1HG1 ILE 7 HG12 ILE 7 2.998 3.195 -1.120 55 2HG1 ILE 7 HG11 ILE 7 3.629 1.576 -0.818 56 1HG2 ILE 7 HG21 ILE 7 0.532 3.672 0.152 57 2HG2 ILE 7 HG23 ILE 7 0.593 3.227 -1.552 58 3HG2 ILE 7 HG22 ILE 7 -0.491 2.371 -0.458 59 1HD1 ILE 7 HD13 ILE 7 1.529 1.142 -2.591 60 2HD1 ILE 7 HD12 ILE 7 2.283 2.621 -3.185 61 3HD1 ILE 7 HD11 ILE 7 3.244 1.154 -3.001 62 H ALA 8 HN ALA 8 2.097 -0.327 2.409 63 HA ALA 8 HA ALA 8 5.012 -0.609 1.796 64 1HB ALA 8 HB1 ALA 8 4.372 0.153 4.217 65 2HB ALA 8 HB3 ALA 8 3.935 -1.541 4.430 66 3HB ALA 8 HB2 ALA 8 5.585 -1.107 3.991 67 H PHE 9 HN PHE 9 5.779 -2.874 2.079 68 HA PHE 9 HA PHE 9 3.765 -5.001 2.061 69 1HB PHE 9 HB2 PHE 9 4.809 -3.830 -0.403 70 2HB PHE 9 HB1 PHE 9 5.149 -5.555 -0.292 71 HD1 PHE 9 HD1 PHE 9 3.124 -7.038 0.570 72 HD2 PHE 9 HD2 PHE 9 2.739 -3.153 -1.216 73 HE1 PHE 9 HE1 PHE 9 0.764 -7.534 0.004 74 HE2 PHE 9 HE2 PHE 9 0.380 -3.646 -1.785 75 HZ PHE 9 HZ PHE 9 -0.612 -5.838 -1.178 76 H GLN 10 HN GLN 10 4.779 -7.087 2.278 77 HA GLN 10 HA GLN 10 7.747 -7.009 2.553 78 1HB GLN 10 HB2 GLN 10 6.173 -7.044 4.754 79 2HB GLN 10 HB1 GLN 10 6.253 -8.774 4.426 80 1HG GLN 10 HG2 GLN 10 8.671 -6.961 4.632 81 2HG GLN 10 HG1 GLN 10 8.079 -7.987 5.938 82 1HE2 GLN 10 HE22 GLN 10 9.746 -9.806 2.642 83 2HE2 GLN 10 HE21 GLN 10 9.023 -8.288 2.461 84 H ASP 11 HN ASP 11 7.994 -8.132 0.574 85 HA ASP 11 HA ASP 11 6.504 -10.636 0.155 86 1HB ASP 11 HB2 ASP 11 7.191 -8.882 -1.645 87 2HB ASP 11 HB1 ASP 11 8.769 -9.666 -1.575 88 H ASN 12 HN ASN 12 9.248 -11.473 -1.275 89 HA ASN 12 HA ASN 12 10.077 -13.146 0.993 90 1HB ASN 12 HB2 ASN 12 9.825 -14.122 -1.273 91 2HB ASN 12 HB1 ASN 12 11.108 -13.061 -1.856 92 1HD2 ASN 12 HD22 ASN 12 12.405 -15.684 1.019 93 2HD2 ASN 12 HD21 ASN 12 11.035 -14.726 1.314 94 H ASP 13 HN ASP 13 12.713 -12.524 -1.034 95 HA ASP 13 HA ASP 13 13.743 -10.425 0.815 96 1HB ASP 13 HB2 ASP 13 16.011 -11.762 0.404 97 2HB ASP 13 HB1 ASP 13 14.908 -12.214 1.704 98 H ASN 14 HN ASN 14 13.634 -11.814 -2.386 99 HA ASN 14 HA ASN 14 15.534 -9.738 -3.363 100 1HB ASN 14 HB2 ASN 14 15.307 -12.417 -4.009 101 2HB ASN 14 HB1 ASN 14 14.473 -11.622 -5.345 102 1HD2 ASN 14 HD22 ASN 14 18.371 -11.706 -5.602 103 2HD2 ASN 14 HD21 ASN 14 17.363 -12.869 -4.886 104 H ALA 15 HN ALA 15 12.367 -11.149 -4.276 105 HA ALA 15 HA ALA 15 11.564 -9.351 -6.215 106 1HB ALA 15 HB2 ALA 15 10.050 -10.753 -4.036 107 2HB ALA 15 HB1 ALA 15 9.207 -9.607 -5.079 108 3HB ALA 15 HB3 ALA 15 9.992 -11.023 -5.778 109 H ARG 16 HN ARG 16 11.814 -8.762 -2.776 110 HA ARG 16 HA ARG 16 10.344 -6.306 -2.711 111 1HB ARG 16 HB2 ARG 16 12.708 -7.118 -1.004 112 2HB ARG 16 HB1 ARG 16 11.481 -5.918 -0.597 113 1HG ARG 16 HG2 ARG 16 9.757 -7.609 -0.509 114 2HG ARG 16 HG1 ARG 16 10.860 -8.832 -1.141 115 1HD ARG 16 HD2 ARG 16 10.949 -7.470 1.558 116 2HD ARG 16 HD1 ARG 16 10.786 -9.193 1.217 117 HE ARG 16 HE ARG 16 13.217 -8.539 0.075 118 1HH1 ARG 16 HH21 ARG 16 11.731 -8.138 3.167 119 2HH1 ARG 16 HH22 ARG 16 13.227 -8.214 4.037 120 1HH2 ARG 16 HH11 ARG 16 15.170 -8.636 1.199 121 2HH2 ARG 16 HH12 ARG 16 15.171 -8.495 2.926 122 H TYR 17 HN TYR 17 13.906 -6.722 -2.615 123 HA TYR 17 HA TYR 17 14.630 -4.074 -3.071 124 1HB TYR 17 HB2 TYR 17 15.886 -6.695 -3.539 125 2HB TYR 17 HB1 TYR 17 16.494 -5.414 -4.589 126 HD1 TYR 17 HD2 TYR 17 15.103 -4.900 -1.192 127 HD2 TYR 17 HD1 TYR 17 18.665 -5.114 -3.585 128 HE1 TYR 17 HE2 TYR 17 16.425 -3.984 0.695 129 HE2 TYR 17 HE1 TYR 17 19.986 -4.196 -1.697 130 HH TYR 17 HH TYR 17 19.954 -3.679 0.489 131 H VAL 18 HN VAL 18 13.540 -6.465 -5.449 132 HA VAL 18 HA VAL 18 14.136 -5.056 -7.822 133 HB VAL 18 HB VAL 18 11.628 -6.673 -7.269 134 1HG1 VAL 18 HG12 VAL 18 12.854 -5.454 -9.661 135 2HG1 VAL 18 HG11 VAL 18 12.406 -7.149 -9.854 136 3HG1 VAL 18 HG13 VAL 18 11.188 -5.963 -9.386 137 1HG2 VAL 18 HG23 VAL 18 14.409 -7.431 -7.291 138 2HG2 VAL 18 HG22 VAL 18 12.993 -8.450 -7.031 139 3HG2 VAL 18 HG21 VAL 18 13.590 -8.171 -8.667 140 H VAL 19 HN VAL 19 11.022 -4.996 -6.031 141 HA VAL 19 HA VAL 19 9.881 -2.850 -7.492 142 HB VAL 19 HB VAL 19 9.502 -3.609 -4.577 143 1HG1 VAL 19 HG12 VAL 19 8.049 -1.699 -6.408 144 2HG1 VAL 19 HG11 VAL 19 7.234 -2.448 -5.035 145 3HG1 VAL 19 HG13 VAL 19 8.638 -1.414 -4.771 146 1HG2 VAL 19 HG22 VAL 19 8.929 -5.092 -6.805 147 2HG2 VAL 19 HG21 VAL 19 8.023 -5.192 -5.296 148 3HG2 VAL 19 HG23 VAL 19 7.432 -4.180 -6.613 149 H GLU 20 HN GLU 20 12.384 -2.895 -5.097 150 HA GLU 20 HA GLU 20 12.187 -0.137 -4.270 151 1HB GLU 20 HB2 GLU 20 13.472 -1.995 -3.084 152 2HB GLU 20 HB1 GLU 20 14.707 -1.815 -4.331 153 1HG GLU 20 HG2 GLU 20 15.340 0.289 -3.600 154 2HG GLU 20 HG1 GLU 20 13.755 0.642 -2.911 155 H ALA 21 HN ALA 21 13.939 -1.820 -6.855 156 HA ALA 21 HA ALA 21 15.414 0.504 -7.725 157 1HB ALA 21 HB3 ALA 21 14.746 -2.171 -8.924 158 2HB ALA 21 HB2 ALA 21 15.427 -0.910 -9.952 159 3HB ALA 21 HB1 ALA 21 16.327 -1.485 -8.548 160 H ILE 22 HN ILE 22 12.207 -0.769 -8.364 161 HA ILE 22 HA ILE 22 11.665 0.890 -10.670 162 HB ILE 22 HB ILE 22 9.859 -0.528 -8.696 163 1HG1 ILE 22 HG12 ILE 22 11.272 -1.907 -10.235 164 2HG1 ILE 22 HG11 ILE 22 9.545 -2.095 -10.540 165 1HG2 ILE 22 HG21 ILE 22 9.162 1.611 -10.405 166 2HG2 ILE 22 HG23 ILE 22 8.610 0.146 -11.216 167 3HG2 ILE 22 HG22 ILE 22 8.063 0.506 -9.579 168 1HD1 ILE 22 HD12 ILE 22 10.087 -0.005 -12.185 169 2HD1 ILE 22 HD11 ILE 22 11.637 -0.843 -12.230 170 3HD1 ILE 22 HD13 ILE 22 10.164 -1.688 -12.704 171 H ILE 23 HN ILE 23 10.582 1.186 -7.251 172 HA ILE 23 HA ILE 23 9.387 3.744 -7.572 173 HB ILE 23 HB ILE 23 9.891 3.961 -5.053 174 1HG1 ILE 23 HG12 ILE 23 10.416 1.084 -4.890 175 2HG1 ILE 23 HG11 ILE 23 11.737 1.974 -5.644 176 1HG2 ILE 23 HG21 ILE 23 7.981 2.536 -6.491 177 2HG2 ILE 23 HG23 ILE 23 8.543 1.379 -5.284 178 3HG2 ILE 23 HG22 ILE 23 7.895 2.939 -4.776 179 1HD1 ILE 23 HD11 ILE 23 11.520 3.625 -3.682 180 2HD1 ILE 23 HD13 ILE 23 10.541 2.382 -2.903 181 3HD1 ILE 23 HD12 ILE 23 12.221 2.047 -3.322 182 H GLN 24 HN GLN 24 12.749 2.828 -6.940 183 HA GLN 24 HA GLN 24 13.644 5.529 -6.420 184 1HB GLN 24 HB2 GLN 24 14.808 2.918 -6.508 185 2HB GLN 24 HB1 GLN 24 15.742 3.960 -7.583 186 1HG GLN 24 HG2 GLN 24 16.542 5.221 -5.868 187 2HG GLN 24 HG1 GLN 24 15.000 5.204 -5.012 188 1HE2 GLN 24 HE22 GLN 24 17.305 3.176 -2.944 189 2HE2 GLN 24 HE21 GLN 24 17.143 4.809 -3.378 190 H ASP 25 HN ASP 25 13.294 3.534 -9.326 191 HA ASP 25 HA ASP 25 14.696 5.027 -11.217 192 1HB ASP 25 HB2 ASP 25 12.751 3.041 -11.325 193 2HB ASP 25 HB1 ASP 25 11.982 4.405 -12.138 194 H ASN 26 HN ASN 26 11.497 5.690 -9.811 195 HA ASN 26 HA ASN 26 11.228 8.210 -11.278 196 1HB ASN 26 HB2 ASN 26 9.648 7.421 -8.829 197 2HB ASN 26 HB1 ASN 26 9.144 8.435 -10.180 198 1HD2 ASN 26 HD22 ASN 26 8.866 4.376 -10.490 199 2HD2 ASN 26 HD21 ASN 26 9.647 5.082 -9.159 200 HA PRO 27 HA PRO 27 13.505 10.326 -8.170 201 1HB PRO 27 HB2 PRO 27 12.935 12.894 -9.327 202 2HB PRO 27 HB1 PRO 27 14.422 11.946 -9.467 203 1HG PRO 27 HG2 PRO 27 12.429 12.408 -11.495 204 2HG PRO 27 HG1 PRO 27 13.921 11.468 -11.631 205 1HD PRO 27 HD2 PRO 27 11.224 10.478 -11.509 206 2HD PRO 27 HD1 PRO 27 12.724 9.541 -11.629 207 H HIS 28 HN HIS 28 10.872 9.664 -7.406 208 HA HIS 28 HA HIS 28 10.192 12.044 -5.789 209 1HB HIS 28 HB2 HIS 28 8.839 11.795 -8.067 210 2HB HIS 28 HB1 HIS 28 7.930 10.619 -7.120 211 HD1 HIS 28 HD1 HIS 28 6.139 12.786 -7.664 212 HD2 HIS 28 HD2 HIS 28 8.982 13.228 -4.647 213 HE1 HIS 28 HE1 HIS 28 5.321 14.667 -6.179 214 H ALA 29 HN ALA 29 9.559 8.631 -6.559 215 HA ALA 29 HA ALA 29 8.026 7.816 -4.402 216 1HB ALA 29 HB3 ALA 29 9.095 6.396 -6.282 217 2HB ALA 29 HB2 ALA 29 10.477 6.248 -5.197 218 3HB ALA 29 HB1 ALA 29 8.898 5.640 -4.701 219 H VAL 30 HN VAL 30 8.359 7.463 -2.213 220 HA VAL 30 HA VAL 30 10.911 8.531 -1.110 221 HB VAL 30 HB VAL 30 8.463 7.862 0.512 222 1HG1 VAL 30 HG11 VAL 30 10.960 9.458 0.804 223 2HG1 VAL 30 HG13 VAL 30 9.506 10.110 1.557 224 3HG1 VAL 30 HG12 VAL 30 10.087 8.507 2.005 225 1HG2 VAL 30 HG21 VAL 30 8.731 9.896 -1.576 226 2HG2 VAL 30 HG23 VAL 30 7.291 9.370 -0.704 227 3HG2 VAL 30 HG22 VAL 30 8.349 10.593 -0.001 228 H VAL 31 HN VAL 31 11.423 7.364 1.127 229 HA VAL 31 HA VAL 31 10.993 4.432 0.890 230 HB VAL 31 HB VAL 31 13.753 5.451 1.505 231 1HG1 VAL 31 HG11 VAL 31 13.092 3.057 1.843 232 2HG1 VAL 31 HG13 VAL 31 12.735 2.952 0.119 233 3HG1 VAL 31 HG12 VAL 31 14.386 3.256 0.660 234 1HG2 VAL 31 HG21 VAL 31 12.485 5.138 -1.227 235 2HG2 VAL 31 HG23 VAL 31 13.329 6.547 -0.584 236 3HG2 VAL 31 HG22 VAL 31 14.230 5.083 -0.979 237 H GLN 32 HN GLN 32 11.348 3.319 2.933 238 HA GLN 32 HA GLN 32 11.730 5.089 5.295 239 1HB GLN 32 HB2 GLN 32 9.211 4.209 4.470 240 2HB GLN 32 HB1 GLN 32 9.660 3.092 5.761 241 1HG GLN 32 HG2 GLN 32 10.133 6.022 6.173 242 2HG GLN 32 HG1 GLN 32 8.490 5.401 6.332 243 1HE2 GLN 32 HE22 GLN 32 10.390 5.128 9.620 244 2HE2 GLN 32 HE21 GLN 32 10.189 6.420 8.537 245 H HIS 33 HN HIS 33 10.729 1.682 4.839 246 HA HIS 33 HA HIS 33 12.930 0.895 6.668 247 1HB HIS 33 HB2 HIS 33 10.280 -0.023 6.252 248 2HB HIS 33 HB1 HIS 33 11.351 -1.328 5.740 249 HD1 HIS 33 HD1 HIS 33 12.587 -2.604 7.546 250 HD2 HIS 33 HD2 HIS 33 10.731 0.826 9.017 251 HE1 HIS 33 HE1 HIS 33 12.798 -2.702 10.069 252 H HIS 34 HN HIS 34 13.900 -1.387 5.978 253 HA HIS 34 HA HIS 34 14.273 -1.622 3.067 254 1HB HIS 34 HB2 HIS 34 16.223 -0.356 4.848 255 2HB HIS 34 HB1 HIS 34 16.899 -1.708 3.942 256 HD1 HIS 34 HD1 HIS 34 16.424 1.792 3.622 257 HD2 HIS 34 HD2 HIS 34 15.968 -1.413 0.997 258 HE1 HIS 34 HE1 HIS 34 16.480 2.767 1.285 259 HA PRO 35 HA PRO 35 16.438 -5.317 5.142 260 1HB PRO 35 HB2 PRO 35 16.097 -5.208 8.000 261 2HB PRO 35 HB1 PRO 35 17.608 -5.245 7.081 262 1HG PRO 35 HG2 PRO 35 16.450 -3.011 8.481 263 2HG PRO 35 HG1 PRO 35 17.963 -3.056 7.567 264 1HD PRO 35 HD2 PRO 35 15.517 -1.756 6.826 265 2HD PRO 35 HD1 PRO 35 17.019 -1.860 5.892 266 H ALA 36 HN ALA 36 14.235 -4.609 7.863 267 HA ALA 36 HA ALA 36 12.758 -6.957 7.778 268 1HB ALA 36 HB1 ALA 36 12.112 -4.168 8.635 269 2HB ALA 36 HB3 ALA 36 10.787 -5.327 8.526 270 3HB ALA 36 HB2 ALA 36 12.158 -5.652 9.587 271 H MET 37 HN MET 37 10.789 -4.223 6.828 272 HA MET 37 HA MET 37 10.083 -5.715 4.333 273 1HB MET 37 HB2 MET 37 7.837 -4.860 4.551 274 2HB MET 37 HB1 MET 37 8.293 -5.537 6.115 275 1HG MET 37 HG2 MET 37 9.191 -2.921 6.283 276 2HG MET 37 HG1 MET 37 7.673 -2.765 5.398 277 1HE MET 37 HE2 MET 37 6.078 -4.783 5.911 278 2HE MET 37 HE1 MET 37 5.462 -5.141 7.522 279 3HE MET 37 HE3 MET 37 5.085 -3.595 6.750 280 H ILE 38 HN ILE 38 8.631 -3.760 3.049 281 HA ILE 38 HA ILE 38 10.562 -1.498 2.752 282 HB ILE 38 HB ILE 38 10.302 -1.621 0.333 283 1HG1 ILE 38 HG12 ILE 38 8.182 -3.594 1.102 284 2HG1 ILE 38 HG11 ILE 38 8.142 -2.343 -0.134 285 1HG2 ILE 38 HG22 ILE 38 10.887 -4.328 1.581 286 2HG2 ILE 38 HG21 ILE 38 11.348 -3.850 -0.053 287 3HG2 ILE 38 HG23 ILE 38 12.048 -3.023 1.339 288 1HD1 ILE 38 HD12 ILE 38 10.096 -3.926 -1.144 289 2HD1 ILE 38 HD11 ILE 38 9.133 -5.137 -0.299 290 3HD1 ILE 38 HD13 ILE 38 8.390 -4.131 -1.543 291 H ARG 39 HN ARG 39 9.327 0.111 3.683 292 HA ARG 39 HA ARG 39 6.444 0.280 3.109 293 1HB ARG 39 HB2 ARG 39 8.078 2.335 4.598 294 2HB ARG 39 HB1 ARG 39 6.364 1.963 4.775 295 1HG ARG 39 HG2 ARG 39 8.206 -0.304 5.280 296 2HG ARG 39 HG1 ARG 39 8.287 1.014 6.446 297 1HD ARG 39 HD2 ARG 39 5.551 0.254 5.693 298 2HD ARG 39 HD1 ARG 39 6.442 -1.028 6.510 299 HE ARG 39 HE ARG 39 5.299 1.241 7.776 300 1HH1 ARG 39 HH21 ARG 39 8.316 -0.457 7.666 301 2HH1 ARG 39 HH22 ARG 39 8.899 0.246 9.135 302 1HH2 ARG 39 HH11 ARG 39 6.052 2.134 9.692 303 2HH2 ARG 39 HH12 ARG 39 7.620 1.699 10.283 304 H ILE 40 HN ILE 40 5.590 2.528 2.460 305 HA ILE 40 HA ILE 40 7.460 3.960 0.668 306 HB ILE 40 HB ILE 40 4.766 2.918 -0.236 307 1HG1 ILE 40 HG12 ILE 40 7.597 2.124 -0.990 308 2HG1 ILE 40 HG11 ILE 40 6.431 1.124 -0.123 309 1HG2 ILE 40 HG21 ILE 40 6.862 4.687 -1.492 310 2HG2 ILE 40 HG23 ILE 40 5.746 3.750 -2.485 311 3HG2 ILE 40 HG22 ILE 40 5.125 4.963 -1.366 312 1HD1 ILE 40 HD12 ILE 40 4.954 1.747 -2.300 313 2HD1 ILE 40 HD11 ILE 40 6.566 1.798 -3.014 314 3HD1 ILE 40 HD13 ILE 40 5.997 0.326 -2.225 315 H GLU 41 HN GLU 41 6.460 6.064 -0.102 316 HA GLU 41 HA GLU 41 4.251 7.039 1.636 317 1HB GLU 41 HB2 GLU 41 7.014 7.613 2.083 318 2HB GLU 41 HB1 GLU 41 6.227 9.090 1.522 319 1HG GLU 41 HG2 GLU 41 4.439 7.851 3.345 320 2HG GLU 41 HG1 GLU 41 6.034 7.829 4.099 321 H ALA 42 HN ALA 42 3.114 8.758 0.763 322 HA ALA 42 HA ALA 42 3.953 9.672 -1.958 323 1HB ALA 42 HB2 ALA 42 1.901 7.980 -1.654 324 2HB ALA 42 HB1 ALA 42 1.046 9.478 -1.284 325 3HB ALA 42 HB3 ALA 42 1.849 9.283 -2.841 326 H GLU 43 HN GLU 43 2.104 11.646 -2.393 327 HA GLU 43 HA GLU 43 2.118 13.341 0.061 328 1HB GLU 43 HB2 GLU 43 3.301 14.038 -2.627 329 2HB GLU 43 HB1 GLU 43 2.895 15.256 -1.417 330 1HG GLU 43 HG2 GLU 43 4.300 13.418 0.074 331 2HG GLU 43 HG1 GLU 43 5.136 13.350 -1.478 332 H LYS 44 HN LYS 44 -0.296 12.447 -0.442 333 HA LYS 44 HA LYS 44 -1.866 14.662 -1.206 334 1HB LYS 44 HB2 LYS 44 -0.719 13.795 -3.467 335 2HB LYS 44 HB1 LYS 44 -2.076 12.676 -3.422 336 1HG LYS 44 HG2 LYS 44 -3.406 14.934 -2.856 337 2HG LYS 44 HG1 LYS 44 -2.074 15.634 -3.777 338 1HD LYS 44 HD2 LYS 44 -2.568 13.801 -5.528 339 2HD LYS 44 HD1 LYS 44 -4.101 13.588 -4.680 340 1HE LYS 44 HE2 LYS 44 -4.127 16.265 -4.906 341 2HE LYS 44 HE1 LYS 44 -3.146 15.884 -6.321 342 1HZ LYS 44 HZ3 LYS 44 -4.964 14.167 -6.803 343 2HZ LYS 44 HZ2 LYS 44 -5.912 15.059 -5.712 344 3HZ LYS 44 HZ1 LYS 44 -5.304 15.799 -7.115 345 H ARG 45 HN ARG 45 -3.788 12.804 -2.731 346 HA ARG 45 HA ARG 45 -4.668 11.217 -0.363 347 1HB ARG 45 HB2 ARG 45 -6.476 12.647 -2.326 348 2HB ARG 45 HB1 ARG 45 -6.946 11.860 -0.819 349 1HG ARG 45 HG2 ARG 45 -6.516 13.742 0.335 350 2HG ARG 45 HG1 ARG 45 -4.857 13.750 -0.265 351 1HD ARG 45 HD2 ARG 45 -6.463 14.562 -2.441 352 2HD ARG 45 HD1 ARG 45 -7.067 15.446 -1.041 353 HE ARG 45 HE ARG 45 -4.317 15.725 -0.859 354 1HH1 ARG 45 HH21 ARG 45 -6.724 16.257 -3.279 355 2HH1 ARG 45 HH22 ARG 45 -5.874 17.573 -4.017 356 1HH2 ARG 45 HH11 ARG 45 -3.201 17.441 -1.816 357 2HH2 ARG 45 HH12 ARG 45 -3.885 18.242 -3.191 358 H LEU 46 HN LEU 46 -6.243 9.480 -0.997 359 HA LEU 46 HA LEU 46 -5.674 8.404 -3.729 360 1HB LEU 46 HB2 LEU 46 -6.105 6.429 -1.561 361 2HB LEU 46 HB1 LEU 46 -4.967 6.388 -2.906 362 HG LEU 46 HG LEU 46 -4.665 8.015 -0.361 363 1HD1 LEU 46 HD13 LEU 46 -4.187 5.358 -0.695 364 2HD1 LEU 46 HD12 LEU 46 -2.639 6.033 -1.205 365 3HD1 LEU 46 HD11 LEU 46 -3.268 6.387 0.404 366 1HD2 LEU 46 HD23 LEU 46 -3.582 8.414 -2.971 367 2HD2 LEU 46 HD22 LEU 46 -3.196 9.286 -1.487 368 3HD2 LEU 46 HD21 LEU 46 -2.282 7.843 -1.925 369 H GLU 47 HN GLU 47 -7.399 6.936 -4.518 370 HA GLU 47 HA GLU 47 -9.921 6.933 -2.979 371 1HB GLU 47 HB2 GLU 47 -9.409 8.660 -5.322 372 2HB GLU 47 HB1 GLU 47 -10.904 7.726 -5.401 373 1HG GLU 47 HG2 GLU 47 -11.378 8.546 -3.026 374 2HG GLU 47 HG1 GLU 47 -10.055 9.689 -3.263 375 H ILE 48 HN ILE 48 -11.195 5.173 -3.495 376 HA ILE 48 HA ILE 48 -10.519 3.609 -5.936 377 HB ILE 48 HB ILE 48 -10.983 2.184 -3.327 378 1HG1 ILE 48 HG12 ILE 48 -8.273 2.068 -3.613 379 2HG1 ILE 48 HG11 ILE 48 -8.584 3.719 -4.145 380 1HG2 ILE 48 HG23 ILE 48 -10.653 1.385 -5.969 381 2HG2 ILE 48 HG22 ILE 48 -9.060 1.127 -5.259 382 3HG2 ILE 48 HG21 ILE 48 -10.477 0.353 -4.551 383 1HD1 ILE 48 HD11 ILE 48 -10.160 3.663 -1.955 384 2HD1 ILE 48 HD13 ILE 48 -8.934 2.497 -1.458 385 3HD1 ILE 48 HD12 ILE 48 -8.463 4.139 -1.894 386 H ARG 49 HN ARG 49 -12.293 2.321 -6.695 387 HA ARG 49 HA ARG 49 -14.915 3.244 -5.652 388 1HB ARG 49 HB2 ARG 49 -14.189 1.776 -8.203 389 2HB ARG 49 HB1 ARG 49 -15.814 2.309 -7.773 390 1HG ARG 49 HG2 ARG 49 -13.760 4.416 -7.580 391 2HG ARG 49 HG1 ARG 49 -14.024 3.808 -9.215 392 1HD ARG 49 HD2 ARG 49 -16.591 4.046 -8.431 393 2HD ARG 49 HD1 ARG 49 -15.875 5.307 -7.429 394 HE ARG 49 HE ARG 49 -14.830 5.780 -9.959 395 1HH1 ARG 49 HH21 ARG 49 -17.966 5.386 -8.568 396 2HH1 ARG 49 HH22 ARG 49 -18.744 6.435 -9.705 397 1HH2 ARG 49 HH11 ARG 49 -15.836 7.148 -11.451 398 2HH2 ARG 49 HH12 ARG 49 -17.541 7.431 -11.335 399 H ARG 50 HN ARG 50 -16.694 1.426 -5.943 400 HA ARG 50 HA ARG 50 -16.068 -0.646 -4.049 401 1HB ARG 50 HB2 ARG 50 -18.312 -1.444 -4.436 402 2HB ARG 50 HB1 ARG 50 -18.368 0.319 -4.480 403 1HG ARG 50 HG2 ARG 50 -17.942 -0.034 -7.061 404 2HG ARG 50 HG1 ARG 50 -18.597 -1.641 -6.739 405 1HD ARG 50 HD2 ARG 50 -20.502 -0.358 -7.297 406 2HD ARG 50 HD1 ARG 50 -20.520 -0.400 -5.534 407 HE ARG 50 HE ARG 50 -19.085 1.893 -6.115 408 1HH1 ARG 50 HH21 ARG 50 -22.146 0.568 -7.014 409 2HH1 ARG 50 HH22 ARG 50 -22.900 2.113 -7.219 410 1HH2 ARG 50 HH11 ARG 50 -20.062 3.914 -6.371 411 2HH2 ARG 50 HH12 ARG 50 -21.723 4.004 -6.855 412 H GLU 51 HN GLU 51 -15.852 -0.426 -7.517 413 HA GLU 51 HA GLU 51 -16.002 -3.098 -8.328 414 1HB GLU 51 HB2 GLU 51 -14.213 -0.834 -9.203 415 2HB GLU 51 HB1 GLU 51 -14.106 -2.424 -9.958 416 1HG GLU 51 HG2 GLU 51 -16.766 -1.055 -9.652 417 2HG GLU 51 HG1 GLU 51 -15.707 -0.663 -11.008 418 H THR 52 HN THR 52 -13.300 -1.413 -6.755 419 HA THR 52 HA THR 52 -11.488 -3.646 -6.866 420 HB THR 52 HB THR 52 -11.361 -1.806 -4.532 421 HG1 THR 52 HG1 THR 52 -10.877 -0.947 -7.188 422 1HG2 THR 52 HG22 THR 52 -9.641 -3.567 -5.658 423 2HG2 THR 52 HG21 THR 52 -9.163 -2.093 -6.500 424 3HG2 THR 52 HG23 THR 52 -9.114 -2.157 -4.739 425 H VAL 53 HN VAL 53 -13.760 -2.517 -4.351 426 HA VAL 53 HA VAL 53 -13.207 -4.526 -2.434 427 HB VAL 53 HB VAL 53 -15.824 -3.144 -3.108 428 1HG1 VAL 53 HG13 VAL 53 -15.083 -5.187 -1.068 429 2HG1 VAL 53 HG12 VAL 53 -16.089 -3.846 -0.523 430 3HG1 VAL 53 HG11 VAL 53 -16.639 -4.882 -1.839 431 1HG2 VAL 53 HG22 VAL 53 -13.464 -2.555 -1.363 432 2HG2 VAL 53 HG21 VAL 53 -14.457 -1.449 -2.313 433 3HG2 VAL 53 HG23 VAL 53 -15.059 -2.081 -0.781 434 H GLU 54 HN GLU 54 -14.801 -4.670 -5.502 435 HA GLU 54 HA GLU 54 -16.198 -7.176 -5.007 436 1HB GLU 54 HB2 GLU 54 -17.190 -6.023 -6.767 437 2HB GLU 54 HB1 GLU 54 -15.653 -5.434 -7.388 438 1HG GLU 54 HG2 GLU 54 -15.288 -7.306 -8.649 439 2HG GLU 54 HG1 GLU 54 -16.034 -8.377 -7.462 440 H GLU 55 HN GLU 55 -13.086 -6.187 -6.403 441 HA GLU 55 HA GLU 55 -12.319 -8.821 -7.286 442 1HB GLU 55 HB2 GLU 55 -11.206 -6.690 -8.016 443 2HB GLU 55 HB1 GLU 55 -10.500 -6.559 -6.405 444 1HG GLU 55 HG2 GLU 55 -9.724 -9.046 -6.903 445 2HG GLU 55 HG1 GLU 55 -9.900 -8.527 -8.579 446 H ASN 56 HN ASN 56 -11.439 -6.963 -4.353 447 HA ASN 56 HA ASN 56 -9.970 -9.008 -3.066 448 1HB ASN 56 HB2 ASN 56 -11.030 -6.444 -2.375 449 2HB ASN 56 HB1 ASN 56 -11.474 -7.577 -1.098 450 1HD2 ASN 56 HD22 ASN 56 -8.063 -8.230 -0.154 451 2HD2 ASN 56 HD21 ASN 56 -9.608 -8.931 -0.197 452 H LEU 57 HN LEU 57 -13.449 -8.470 -3.304 453 HA LEU 57 HA LEU 57 -14.307 -10.283 -1.295 454 1HB LEU 57 HB2 LEU 57 -15.884 -8.794 -2.426 455 2HB LEU 57 HB1 LEU 57 -15.591 -9.612 -3.961 456 HG LEU 57 HG LEU 57 -16.280 -11.759 -2.553 457 1HD1 LEU 57 HD11 LEU 57 -17.436 -9.407 -1.056 458 2HD1 LEU 57 HD13 LEU 57 -18.240 -10.977 -1.052 459 3HD1 LEU 57 HD12 LEU 57 -16.606 -10.821 -0.406 460 1HD2 LEU 57 HD22 LEU 57 -17.406 -10.617 -4.577 461 2HD2 LEU 57 HD21 LEU 57 -18.436 -11.597 -3.534 462 3HD2 LEU 57 HD23 LEU 57 -18.457 -9.839 -3.393 463 H GLY 58 HN GLY 58 -13.907 -10.893 -4.806 464 1HA GLY 58 HA2 GLY 58 -14.211 -13.755 -4.493 465 2HA GLY 58 HA1 GLY 58 -13.621 -12.936 -5.941 466 H ARG 59 HN ARG 59 -11.711 -11.655 -3.690 467 HA ARG 59 HA ARG 59 -9.688 -13.849 -3.911 468 1HB ARG 59 HB2 ARG 59 -9.505 -11.349 -4.995 469 2HB ARG 59 HB1 ARG 59 -8.747 -11.088 -3.425 470 1HG ARG 59 HG2 ARG 59 -6.991 -12.517 -3.879 471 2HG ARG 59 HG1 ARG 59 -7.959 -13.533 -4.948 472 1HD ARG 59 HD2 ARG 59 -7.927 -11.060 -6.221 473 2HD ARG 59 HD1 ARG 59 -6.289 -11.224 -5.594 474 HE ARG 59 HE ARG 59 -7.301 -12.567 -7.872 475 1HH1 ARG 59 HH21 ARG 59 -5.622 -13.314 -4.934 476 2HH1 ARG 59 HH22 ARG 59 -5.063 -14.847 -5.508 477 1HH2 ARG 59 HH11 ARG 59 -6.554 -14.546 -8.617 478 2HH2 ARG 59 HH12 ARG 59 -5.580 -15.540 -7.585 479 H ALA 60 HN ALA 60 -11.754 -12.698 -1.757 480 HA ALA 60 HA ALA 60 -10.097 -11.943 0.478 481 1HB ALA 60 HB1 ALA 60 -12.917 -12.366 -0.047 482 2HB ALA 60 HB3 ALA 60 -12.457 -13.088 1.495 483 3HB ALA 60 HB2 ALA 60 -12.155 -11.376 1.198 484 H TRP 61 HN TRP 61 -10.457 -14.895 -1.090 485 HA TRP 61 HA TRP 61 -10.100 -16.515 1.356 486 1HB TRP 61 HB2 TRP 61 -11.517 -17.235 -0.667 487 2HB TRP 61 HB1 TRP 61 -9.983 -17.517 -1.490 488 HD1 TRP 61 HD1 TRP 61 -10.412 -18.188 2.240 489 HE1 TRP 61 HE1 TRP 61 -10.166 -20.719 2.664 490 HE3 TRP 61 HE3 TRP 61 -10.224 -19.874 -2.576 491 HZ2 TRP 61 HZ2 TRP 61 -9.921 -23.139 1.159 492 HZ3 TRP 61 HZ3 TRP 61 -9.984 -22.295 -3.052 493 HH2 TRP 61 HH2 TRP 61 -9.832 -23.928 -1.192 494 H ASP 62 HN ASP 62 -8.103 -14.524 0.153 495 HA ASP 62 HA ASP 62 -5.807 -16.416 -0.138 496 1HB ASP 62 HB2 ASP 62 -6.078 -14.983 -2.090 497 2HB ASP 62 HB1 ASP 62 -6.119 -13.549 -1.065 498 H VAL 63 HN VAL 63 -7.263 -14.856 2.244 499 HA VAL 63 HA VAL 63 -5.495 -13.064 3.453 500 HB VAL 63 HB VAL 63 -6.839 -15.233 5.053 501 1HG1 VAL 63 HG13 VAL 63 -5.375 -13.310 6.007 502 2HG1 VAL 63 HG12 VAL 63 -6.740 -12.270 5.600 503 3HG1 VAL 63 HG11 VAL 63 -6.951 -13.596 6.744 504 1HG2 VAL 63 HG22 VAL 63 -8.059 -13.332 3.187 505 2HG2 VAL 63 HG21 VAL 63 -8.783 -14.714 4.008 506 3HG2 VAL 63 HG23 VAL 63 -8.673 -13.157 4.830 507 H GLN 64 HN GLN 64 -5.411 -16.632 3.655 508 HA GLN 64 HA GLN 64 -3.245 -16.921 5.413 509 1HB GLN 64 HB2 GLN 64 -4.415 -18.543 3.227 510 2HB GLN 64 HB1 GLN 64 -2.751 -18.940 3.659 511 1HG GLN 64 HG2 GLN 64 -4.286 -20.270 5.021 512 2HG GLN 64 HG1 GLN 64 -3.443 -19.107 6.046 513 1HE2 GLN 64 HE22 GLN 64 -6.377 -17.303 6.881 514 2HE2 GLN 64 HE21 GLN 64 -4.684 -17.362 6.978 515 H GLU 65 HN GLU 65 -3.151 -16.449 1.877 516 HA GLU 65 HA GLU 65 -0.272 -16.460 1.722 517 1HB GLU 65 HB2 GLU 65 -2.112 -16.671 -0.164 518 2HB GLU 65 HB1 GLU 65 -1.959 -14.914 -0.219 519 1HG GLU 65 HG2 GLU 65 0.134 -14.994 -1.118 520 2HG GLU 65 HG1 GLU 65 0.603 -16.391 -0.149 521 H MET 66 HN MET 66 -2.665 -14.023 2.494 522 HA MET 66 HA MET 66 -0.870 -11.762 2.145 523 1HB MET 66 HB2 MET 66 -3.630 -12.219 3.046 524 2HB MET 66 HB1 MET 66 -2.808 -10.935 3.934 525 1HG MET 66 HG2 MET 66 -2.032 -10.265 1.456 526 2HG MET 66 HG1 MET 66 -3.543 -11.076 1.047 527 1HE MET 66 HE1 MET 66 -5.486 -10.895 2.036 528 2HE MET 66 HE3 MET 66 -6.027 -9.773 3.292 529 3HE MET 66 HE2 MET 66 -6.186 -9.341 1.591 530 H LEU 67 HN LEU 67 -1.319 -14.163 4.561 531 HA LEU 67 HA LEU 67 -0.421 -12.645 6.847 532 1HB LEU 67 HB2 LEU 67 -1.476 -15.154 6.482 533 2HB LEU 67 HB1 LEU 67 0.214 -15.525 6.824 534 HG LEU 67 HG LEU 67 -1.165 -15.420 8.894 535 1HD1 LEU 67 HD13 LEU 67 1.303 -14.730 8.759 536 2HD1 LEU 67 HD12 LEU 67 0.726 -13.064 8.803 537 3HD1 LEU 67 HD11 LEU 67 0.399 -14.147 10.157 538 1HD2 LEU 67 HD23 LEU 67 -2.295 -13.196 7.618 539 2HD2 LEU 67 HD22 LEU 67 -2.613 -13.728 9.270 540 3HD2 LEU 67 HD21 LEU 67 -1.369 -12.517 8.956 541 H VAL 68 HN VAL 68 1.293 -15.093 4.854 542 HA VAL 68 HA VAL 68 3.846 -14.831 5.927 543 HB VAL 68 HB VAL 68 3.156 -15.089 2.988 544 1HG1 VAL 68 HG11 VAL 68 5.552 -14.490 3.564 545 2HG1 VAL 68 HG13 VAL 68 5.639 -16.009 4.458 546 3HG1 VAL 68 HG12 VAL 68 5.358 -16.025 2.717 547 1HG2 VAL 68 HG23 VAL 68 2.828 -16.855 5.268 548 2HG2 VAL 68 HG22 VAL 68 2.307 -17.090 3.600 549 3HG2 VAL 68 HG21 VAL 68 3.936 -17.556 4.089 550 H ASP 69 HN ASP 69 2.822 -13.032 2.996 551 HA ASP 69 HA ASP 69 4.947 -11.062 3.466 552 1HB ASP 69 HB2 ASP 69 3.792 -9.944 1.429 553 2HB ASP 69 HB1 ASP 69 4.587 -11.494 1.166 554 H VAL 70 HN VAL 70 4.513 -8.772 3.786 555 HA VAL 70 HA VAL 70 2.014 -8.339 5.353 556 HB VAL 70 HB VAL 70 4.437 -6.532 5.160 557 1HG1 VAL 70 HG12 VAL 70 1.942 -6.630 6.827 558 2HG1 VAL 70 HG11 VAL 70 3.414 -5.940 7.510 559 3HG1 VAL 70 HG13 VAL 70 2.710 -5.244 6.051 560 1HG2 VAL 70 HG22 VAL 70 4.680 -8.996 6.102 561 2HG2 VAL 70 HG21 VAL 70 5.406 -7.639 6.963 562 3HG2 VAL 70 HG23 VAL 70 3.868 -8.308 7.509 563 H ILE 71 HN ILE 71 0.983 -6.123 5.078 564 HA ILE 71 HA ILE 71 1.387 -4.943 2.393 565 HB ILE 71 HB ILE 71 -0.282 -6.399 1.718 566 1HG1 ILE 71 HG12 ILE 71 -2.497 -5.191 1.792 567 2HG1 ILE 71 HG11 ILE 71 -1.761 -4.022 2.887 568 1HG2 ILE 71 HG21 ILE 71 -1.368 -6.141 4.527 569 2HG2 ILE 71 HG23 ILE 71 -2.241 -6.972 3.240 570 3HG2 ILE 71 HG22 ILE 71 -0.667 -7.569 3.766 571 1HD1 ILE 71 HD13 ILE 71 0.090 -4.129 0.865 572 2HD1 ILE 71 HD12 ILE 71 -1.419 -4.347 -0.022 573 3HD1 ILE 71 HD11 ILE 71 -1.185 -2.918 0.986 574 H THR 72 HN THR 72 0.538 -2.827 2.220 575 HA THR 72 HA THR 72 -0.931 -1.570 4.365 576 HB THR 72 HB THR 72 1.632 -0.173 4.175 577 HG1 THR 72 HG1 THR 72 2.257 -2.424 4.121 578 1HG2 THR 72 HG23 THR 72 -0.506 -0.785 6.091 579 2HG2 THR 72 HG22 THR 72 1.104 -0.771 6.810 580 3HG2 THR 72 HG21 THR 72 0.507 0.652 5.957 581 H ILE 73 HN ILE 73 -1.571 0.604 3.780 582 HA ILE 73 HA ILE 73 -0.546 1.652 1.239 583 HB ILE 73 HB ILE 73 -2.107 0.221 0.257 584 1HG1 ILE 73 HG12 ILE 73 -2.409 2.775 -0.202 585 2HG1 ILE 73 HG11 ILE 73 -3.644 1.659 -0.782 586 1HG2 ILE 73 HG23 ILE 73 -3.151 -0.518 2.378 587 2HG2 ILE 73 HG22 ILE 73 -4.072 0.984 2.436 588 3HG2 ILE 73 HG21 ILE 73 -4.362 -0.179 1.142 589 1HD1 ILE 73 HD12 ILE 73 -4.154 2.519 1.962 590 2HD1 ILE 73 HD11 ILE 73 -4.077 3.881 0.846 591 3HD1 ILE 73 HD13 ILE 73 -5.219 2.569 0.558 592 H GLY 74 HN GLY 74 -1.173 3.742 0.833 593 1HA GLY 74 HA2 GLY 74 -1.475 5.952 1.404 594 2HA GLY 74 HA1 GLY 74 -3.036 5.381 1.953 595 H GLY 75 HN GLY 75 -3.262 4.757 4.088 596 1HA GLY 75 HA2 GLY 75 -1.364 4.780 6.156 597 2HA GLY 75 HA1 GLY 75 -1.910 6.449 5.988 598 H ASN 76 HN ASN 76 -4.618 6.140 5.435 599 HA ASN 76 HA ASN 76 -5.582 4.653 7.851 600 1HB ASN 76 HB2 ASN 76 -5.641 7.342 7.616 601 2HB ASN 76 HB1 ASN 76 -7.169 6.950 6.827 602 1HD2 ASN 76 HD22 ASN 76 -8.459 7.000 10.153 603 2HD2 ASN 76 HD21 ASN 76 -8.347 7.872 8.701 604 H VAL 77 HN VAL 77 -8.363 5.532 6.868 605 HA VAL 77 HA VAL 77 -8.832 4.415 4.304 606 HB VAL 77 HB VAL 77 -8.031 2.321 5.182 607 1HG1 VAL 77 HG11 VAL 77 -8.490 3.141 7.607 608 2HG1 VAL 77 HG13 VAL 77 -10.088 2.430 7.381 609 3HG1 VAL 77 HG12 VAL 77 -8.648 1.417 7.267 610 1HG2 VAL 77 HG22 VAL 77 -10.644 2.701 4.219 611 2HG2 VAL 77 HG21 VAL 77 -9.740 1.187 4.235 612 3HG2 VAL 77 HG23 VAL 77 -10.815 1.586 5.575 613 H ASP 78 HN ASP 78 -10.467 5.965 4.149 614 HA ASP 78 HA ASP 78 -12.649 5.859 6.174 615 1HB ASP 78 HB2 ASP 78 -13.085 7.855 4.138 616 2HB ASP 78 HB1 ASP 78 -12.837 8.082 5.866 617 H GLU 79 HN GLU 79 -14.570 4.918 5.644 618 HA GLU 79 HA GLU 79 -15.076 4.371 2.746 619 1HB GLU 79 HB2 GLU 79 -16.269 2.273 3.600 620 2HB GLU 79 HB1 GLU 79 -14.508 2.255 3.693 621 1HG GLU 79 HG2 GLU 79 -14.495 2.567 6.012 622 2HG GLU 79 HG1 GLU 79 -16.119 3.256 6.027 623 H ASP 80 HN ASP 80 -17.167 4.782 2.044 624 HA ASP 80 HA ASP 80 -18.934 6.119 4.027 625 1HB ASP 80 HB2 ASP 80 -18.644 6.211 1.049 626 2HB ASP 80 HB1 ASP 80 -20.219 6.587 1.749 627 H ASP 81 HN ASP 81 -20.292 4.690 1.148 628 HA ASP 81 HA ASP 81 -21.846 2.844 2.899 629 1HB ASP 81 HB2 ASP 81 -22.903 4.623 1.275 630 2HB ASP 81 HB1 ASP 81 -22.537 3.425 0.033 631 H ASP 82 HN ASP 82 -20.586 2.862 -0.454 632 HA ASP 82 HA ASP 82 -19.746 0.026 -0.012 633 1HB ASP 82 HB2 ASP 82 -21.819 0.734 -1.641 634 2HB ASP 82 HB1 ASP 82 -20.470 0.808 -2.774 635 H ARG 83 HN ARG 83 -19.158 3.134 -1.534 636 HA ARG 83 HA ARG 83 -16.814 2.352 -3.009 637 1HB ARG 83 HB2 ARG 83 -17.969 4.400 -3.576 638 2HB ARG 83 HB1 ARG 83 -17.740 5.038 -1.951 639 1HG ARG 83 HG2 ARG 83 -15.391 5.256 -2.268 640 2HG ARG 83 HG1 ARG 83 -15.429 4.278 -3.736 641 1HD ARG 83 HD2 ARG 83 -15.269 6.562 -4.453 642 2HD ARG 83 HD1 ARG 83 -16.932 6.057 -4.752 643 HE ARG 83 HE ARG 83 -17.012 7.162 -2.208 644 1HH1 ARG 83 HH21 ARG 83 -15.937 8.143 -5.343 645 2HH1 ARG 83 HH22 ARG 83 -16.257 9.822 -5.067 646 1HH2 ARG 83 HH11 ARG 83 -17.427 9.347 -1.839 647 2HH2 ARG 83 HH12 ARG 83 -17.099 10.503 -3.086 648 H PHE 84 HN PHE 84 -14.609 3.282 -2.417 649 HA PHE 84 HA PHE 84 -14.156 3.389 0.521 650 1HB PHE 84 HB2 PHE 84 -13.717 1.097 0.180 651 2HB PHE 84 HB1 PHE 84 -13.014 1.375 -1.411 652 HD1 PHE 84 HD2 PHE 84 -12.241 3.403 1.595 653 HD2 PHE 84 HD1 PHE 84 -10.904 0.276 -1.028 654 HE1 PHE 84 HE2 PHE 84 -9.981 3.521 2.607 655 HE2 PHE 84 HE1 PHE 84 -8.643 0.392 -0.014 656 HZ PHE 84 HZ PHE 84 -8.182 2.015 1.804 657 H VAL 85 HN VAL 85 -12.786 5.063 0.960 658 HA VAL 85 HA VAL 85 -10.806 5.856 -1.121 659 HB VAL 85 HB VAL 85 -12.678 7.354 -1.453 660 1HG1 VAL 85 HG12 VAL 85 -12.810 7.153 1.469 661 2HG1 VAL 85 HG11 VAL 85 -12.974 8.810 0.887 662 3HG1 VAL 85 HG13 VAL 85 -14.080 7.560 0.314 663 1HG2 VAL 85 HG21 VAL 85 -10.196 8.211 -1.122 664 2HG2 VAL 85 HG23 VAL 85 -11.515 9.362 -1.320 665 3HG2 VAL 85 HG22 VAL 85 -10.885 9.009 0.290 666 H LEU 86 HN LEU 86 -8.940 6.919 -0.272 667 HA LEU 86 HA LEU 86 -8.718 7.432 2.615 668 1HB LEU 86 HB2 LEU 86 -8.315 5.035 2.600 669 2HB LEU 86 HB1 LEU 86 -7.187 5.196 1.261 670 HG LEU 86 HG LEU 86 -6.239 4.960 3.670 671 1HD1 LEU 86 HD12 LEU 86 -5.041 5.691 1.509 672 2HD1 LEU 86 HD11 LEU 86 -5.169 7.325 2.156 673 3HD1 LEU 86 HD13 LEU 86 -4.288 6.094 3.052 674 1HD2 LEU 86 HD23 LEU 86 -7.829 7.146 4.167 675 2HD2 LEU 86 HD22 LEU 86 -6.447 6.664 5.145 676 3HD2 LEU 86 HD21 LEU 86 -6.252 7.887 3.898 677 H GLU 87 HN GLU 87 -7.214 9.028 2.913 678 HA GLU 87 HA GLU 87 -5.380 9.665 0.649 679 1HB GLU 87 HB2 GLU 87 -6.212 11.763 2.602 680 2HB GLU 87 HB1 GLU 87 -5.822 11.909 0.901 681 1HG GLU 87 HG2 GLU 87 -8.079 12.093 0.631 682 2HG GLU 87 HG1 GLU 87 -8.045 10.335 0.767 683 H TRP 88 HN TRP 88 -4.126 11.769 2.286 684 HA TRP 88 HA TRP 88 -2.023 10.336 3.463 685 1HB TRP 88 HB2 TRP 88 -1.600 12.636 3.177 686 2HB TRP 88 HB1 TRP 88 -3.125 13.105 3.924 687 HD1 TRP 88 HD1 TRP 88 -0.956 10.527 5.673 688 HE1 TRP 88 HE1 TRP 88 0.028 11.558 7.825 689 HE3 TRP 88 HE3 TRP 88 -2.358 15.402 5.045 690 HZ2 TRP 88 HZ2 TRP 88 0.197 14.111 9.107 691 HZ3 TRP 88 HZ3 TRP 88 -1.772 17.108 6.743 692 HH2 TRP 88 HH2 TRP 88 -0.499 16.470 8.773 693 H LYS 89 HN LYS 89 -4.251 12.187 5.528 694 HA LYS 89 HA LYS 89 -5.210 11.639 7.596 695 1HB LYS 89 HB2 LYS 89 -5.153 8.938 6.235 696 2HB LYS 89 HB1 LYS 89 -5.869 9.182 7.829 697 1HG LYS 89 HG2 LYS 89 -6.668 10.622 5.282 698 2HG LYS 89 HG1 LYS 89 -7.597 9.363 6.096 699 1HD LYS 89 HD2 LYS 89 -7.443 10.924 8.177 700 2HD LYS 89 HD1 LYS 89 -7.045 12.180 7.003 701 1HE LYS 89 HE2 LYS 89 -9.268 10.721 5.978 702 2HE LYS 89 HE1 LYS 89 -9.624 11.120 7.659 703 1HZ LYS 89 HZ2 LYS 89 -8.689 13.054 5.607 704 2HZ LYS 89 HZ1 LYS 89 -10.300 12.880 6.121 705 3HZ LYS 89 HZ3 LYS 89 -9.117 13.418 7.211 706 H ASN 90 HN ASN 90 -3.864 11.883 9.319 707 HA ASN 90 HA ASN 90 -1.512 10.088 9.569 708 1HB ASN 90 HB2 ASN 90 -1.007 12.432 9.852 709 2HB ASN 90 HB1 ASN 90 -2.315 12.624 11.021 710 1HD2 ASN 90 HD22 ASN 90 1.268 11.620 12.404 711 2HD2 ASN 90 HD21 ASN 90 0.983 12.345 10.895 No H/Q in entry = 711 Start of MODEL 2 1 1H MET 1 HT3 MET 1 1.355 23.019 -0.077 2 2H MET 1 HT2 MET 1 0.415 23.112 -1.489 3 3H MET 1 HT1 MET 1 -0.110 23.872 -0.063 4 HA MET 1 HA MET 1 -0.609 21.861 0.987 5 1HB MET 1 HB2 MET 1 -2.239 22.506 -0.751 6 2HB MET 1 HB1 MET 1 -1.321 21.595 -1.950 7 1HG MET 1 HG2 MET 1 -2.034 19.565 -1.154 8 2HG MET 1 HG1 MET 1 -2.094 20.128 0.517 9 1HE MET 1 HE1 MET 1 -3.659 20.121 1.635 10 2HE MET 1 HE3 MET 1 -5.234 20.903 1.445 11 3HE MET 1 HE2 MET 1 -5.035 19.204 1.027 12 H SER 2 HN SER 2 -0.385 19.518 1.088 13 HA SER 2 HA SER 2 1.749 18.391 -0.660 14 1HB SER 2 HB2 SER 2 1.666 18.171 2.364 15 2HB SER 2 HB1 SER 2 2.817 17.351 1.313 16 HG SER 2 HG SER 2 3.594 19.352 2.204 17 H SER 3 HN SER 3 0.172 17.051 2.235 18 HA SER 3 HA SER 3 -1.363 15.275 2.433 19 1HB SER 3 HB2 SER 3 -1.850 15.002 -0.465 20 2HB SER 3 HB1 SER 3 -3.001 15.150 0.860 21 HG SER 3 HG SER 3 -3.181 17.139 0.218 22 H LEU 4 HN LEU 4 0.292 13.755 2.997 23 HA LEU 4 HA LEU 4 0.885 11.842 0.846 24 1HB LEU 4 HB2 LEU 4 3.294 11.760 1.828 25 2HB LEU 4 HB1 LEU 4 2.900 12.993 0.645 26 HG LEU 4 HG LEU 4 4.185 13.826 2.650 27 1HD1 LEU 4 HD11 LEU 4 2.104 15.012 1.265 28 2HD1 LEU 4 HD13 LEU 4 1.670 15.290 2.952 29 3HD1 LEU 4 HD12 LEU 4 3.229 15.843 2.339 30 1HD2 LEU 4 HD21 LEU 4 2.705 12.246 4.163 31 2HD2 LEU 4 HD23 LEU 4 3.299 13.780 4.795 32 3HD2 LEU 4 HD22 LEU 4 1.638 13.647 4.223 33 H VAL 5 HN VAL 5 1.520 9.764 1.616 34 HA VAL 5 HA VAL 5 0.750 9.296 4.462 35 HB VAL 5 HB VAL 5 -0.151 7.201 3.795 36 1HG1 VAL 5 HG13 VAL 5 -0.925 9.618 2.500 37 2HG1 VAL 5 HG12 VAL 5 -1.195 8.280 1.386 38 3HG1 VAL 5 HG11 VAL 5 -1.949 8.268 2.982 39 1HG2 VAL 5 HG22 VAL 5 1.568 7.632 1.397 40 2HG2 VAL 5 HG21 VAL 5 1.293 6.158 2.325 41 3HG2 VAL 5 HG23 VAL 5 0.079 6.714 1.172 42 H TYR 6 HN TYR 6 1.667 6.803 4.851 43 HA TYR 6 HA TYR 6 4.385 6.477 3.846 44 1HB TYR 6 HB2 TYR 6 5.038 8.039 5.483 45 2HB TYR 6 HB1 TYR 6 3.817 7.486 6.629 46 HD1 TYR 6 HD2 TYR 6 4.116 5.381 7.876 47 HD2 TYR 6 HD1 TYR 6 7.155 6.888 5.244 48 HE1 TYR 6 HE2 TYR 6 5.758 3.827 8.888 49 HE2 TYR 6 HE1 TYR 6 8.800 5.335 6.252 50 HH TYR 6 HH TYR 6 8.347 3.803 9.144 51 H ILE 7 HN ILE 7 4.953 4.332 4.014 52 HA ILE 7 HA ILE 7 3.710 2.572 5.998 53 HB ILE 7 HB ILE 7 2.543 1.170 4.448 54 1HG1 ILE 7 HG12 ILE 7 4.022 2.807 2.374 55 2HG1 ILE 7 HG11 ILE 7 4.046 1.059 2.599 56 1HG2 ILE 7 HG21 ILE 7 1.364 3.294 5.035 57 2HG2 ILE 7 HG23 ILE 7 2.032 4.037 3.584 58 3HG2 ILE 7 HG22 ILE 7 0.903 2.690 3.449 59 1HD1 ILE 7 HD12 ILE 7 1.507 1.177 2.080 60 2HD1 ILE 7 HD11 ILE 7 1.866 2.777 1.432 61 3HD1 ILE 7 HD13 ILE 7 2.637 1.352 0.737 62 H ALA 8 HN ALA 8 5.045 0.718 6.288 63 HA ALA 8 HA ALA 8 7.103 0.208 4.219 64 1HB ALA 8 HB2 ALA 8 7.651 1.219 6.989 65 2HB ALA 8 HB1 ALA 8 8.799 0.118 6.227 66 3HB ALA 8 HB3 ALA 8 8.417 1.664 5.469 67 H PHE 9 HN PHE 9 8.012 -1.881 4.357 68 HA PHE 9 HA PHE 9 6.824 -3.705 6.393 69 1HB PHE 9 HB2 PHE 9 6.679 -3.833 3.410 70 2HB PHE 9 HB1 PHE 9 6.900 -5.347 4.281 71 HD1 PHE 9 HD2 PHE 9 4.775 -2.270 4.231 72 HD2 PHE 9 HD1 PHE 9 5.051 -6.436 5.236 73 HE1 PHE 9 HE2 PHE 9 2.357 -2.298 4.777 74 HE2 PHE 9 HE1 PHE 9 2.632 -6.466 5.781 75 HZ PHE 9 HZ PHE 9 1.284 -4.395 5.551 76 H GLN 10 HN GLN 10 8.055 -5.896 6.250 77 HA GLN 10 HA GLN 10 10.830 -5.590 5.275 78 1HB GLN 10 HB2 GLN 10 10.462 -4.840 7.814 79 2HB GLN 10 HB1 GLN 10 10.576 -6.579 8.079 80 1HG GLN 10 HG2 GLN 10 12.604 -4.979 6.497 81 2HG GLN 10 HG1 GLN 10 12.790 -5.386 8.203 82 1HE2 GLN 10 HE22 GLN 10 13.024 -8.414 5.424 83 2HE2 GLN 10 HE21 GLN 10 12.193 -6.991 5.029 84 H ASP 11 HN ASP 11 9.994 -7.256 3.832 85 HA ASP 11 HA ASP 11 9.633 -9.920 5.135 86 1HB ASP 11 HB2 ASP 11 8.056 -8.739 3.252 87 2HB ASP 11 HB1 ASP 11 9.171 -9.631 2.219 88 H ASN 12 HN ASN 12 10.484 -11.697 3.393 89 HA ASN 12 HA ASN 12 13.340 -11.423 3.384 90 1HB ASN 12 HB2 ASN 12 12.334 -13.634 3.449 91 2HB ASN 12 HB1 ASN 12 11.526 -13.353 1.906 92 1HD2 ASN 12 HD22 ASN 12 15.521 -14.261 1.957 93 2HD2 ASN 12 HD21 ASN 12 14.734 -13.830 3.398 94 H ASP 13 HN ASP 13 12.001 -12.425 0.324 95 HA ASP 13 HA ASP 13 12.575 -9.826 -0.944 96 1HB ASP 13 HB2 ASP 13 14.572 -11.840 -0.793 97 2HB ASP 13 HB1 ASP 13 13.990 -11.818 -2.459 98 H ASN 14 HN ASN 14 10.469 -12.168 -0.642 99 HA ASN 14 HA ASN 14 9.939 -12.560 -3.547 100 1HB ASN 14 HB2 ASN 14 9.709 -14.264 -1.297 101 2HB ASN 14 HB1 ASN 14 8.062 -13.912 -1.820 102 1HD2 ASN 14 HD22 ASN 14 9.532 -16.799 -3.807 103 2HD2 ASN 14 HD21 ASN 14 9.444 -16.500 -2.139 104 H ALA 15 HN ALA 15 8.112 -11.818 -0.555 105 HA ALA 15 HA ALA 15 5.800 -10.837 -1.904 106 1HB ALA 15 HB3 ALA 15 6.376 -11.371 0.688 107 2HB ALA 15 HB2 ALA 15 6.487 -9.611 0.706 108 3HB ALA 15 HB1 ALA 15 4.993 -10.395 0.192 109 H ARG 16 HN ARG 16 8.453 -9.012 -0.367 110 HA ARG 16 HA ARG 16 7.643 -6.441 -1.113 111 1HB ARG 16 HB2 ARG 16 9.841 -5.756 -0.657 112 2HB ARG 16 HB1 ARG 16 9.677 -7.232 0.290 113 1HG ARG 16 HG2 ARG 16 10.808 -8.522 -1.444 114 2HG ARG 16 HG1 ARG 16 10.888 -7.102 -2.488 115 1HD ARG 16 HD2 ARG 16 12.006 -6.272 -0.051 116 2HD ARG 16 HD1 ARG 16 12.662 -7.885 -0.326 117 HE ARG 16 HE ARG 16 12.950 -6.620 -2.777 118 1HH1 ARG 16 HH21 ARG 16 13.809 -5.952 0.501 119 2HH1 ARG 16 HH22 ARG 16 15.235 -5.065 0.082 120 1HH2 ARG 16 HH11 ARG 16 14.805 -5.462 -3.336 121 2HH2 ARG 16 HH12 ARG 16 15.800 -4.787 -2.089 122 H TYR 17 HN TYR 17 9.390 -8.855 -3.048 123 HA TYR 17 HA TYR 17 9.965 -7.200 -5.290 124 1HB TYR 17 HB2 TYR 17 10.286 -9.898 -4.651 125 2HB TYR 17 HB1 TYR 17 9.201 -9.915 -6.042 126 HD1 TYR 17 HD2 TYR 17 12.267 -8.082 -4.882 127 HD2 TYR 17 HD1 TYR 17 10.177 -9.926 -8.150 128 HE1 TYR 17 HE2 TYR 17 14.179 -7.590 -6.383 129 HE2 TYR 17 HE1 TYR 17 12.090 -9.434 -9.651 130 HH TYR 17 HH TYR 17 15.122 -8.218 -8.420 131 H VAL 18 HN VAL 18 7.124 -9.256 -4.611 132 HA VAL 18 HA VAL 18 5.675 -8.758 -6.975 133 HB VAL 18 HB VAL 18 4.689 -9.137 -4.133 134 1HG1 VAL 18 HG11 VAL 18 3.266 -8.633 -6.686 135 2HG1 VAL 18 HG13 VAL 18 2.653 -9.979 -5.726 136 3HG1 VAL 18 HG12 VAL 18 2.732 -8.361 -5.027 137 1HG2 VAL 18 HG21 VAL 18 5.535 -10.903 -6.362 138 2HG2 VAL 18 HG23 VAL 18 5.561 -11.196 -4.623 139 3HG2 VAL 18 HG22 VAL 18 4.059 -11.386 -5.527 140 H VAL 19 HN VAL 19 5.476 -6.952 -3.886 141 HA VAL 19 HA VAL 19 3.756 -4.900 -4.887 142 HB VAL 19 HB VAL 19 5.834 -4.708 -2.685 143 1HG1 VAL 19 HG13 VAL 19 4.922 -2.534 -3.496 144 2HG1 VAL 19 HG12 VAL 19 3.292 -3.123 -3.171 145 3HG1 VAL 19 HG11 VAL 19 4.426 -2.891 -1.841 146 1HG2 VAL 19 HG22 VAL 19 3.689 -6.444 -2.822 147 2HG2 VAL 19 HG21 VAL 19 4.425 -5.865 -1.327 148 3HG2 VAL 19 HG23 VAL 19 2.999 -5.057 -1.978 149 H GLU 20 HN GLU 20 7.138 -5.497 -5.290 150 HA GLU 20 HA GLU 20 7.954 -2.804 -5.907 151 1HB GLU 20 HB2 GLU 20 9.193 -5.331 -5.701 152 2HB GLU 20 HB1 GLU 20 9.488 -4.780 -7.351 153 1HG GLU 20 HG2 GLU 20 11.276 -3.895 -6.029 154 2HG GLU 20 HG1 GLU 20 10.187 -2.544 -6.344 155 H ALA 21 HN ALA 21 6.882 -5.538 -7.938 156 HA ALA 21 HA ALA 21 7.171 -4.059 -10.412 157 1HB ALA 21 HB3 ALA 21 6.638 -6.716 -9.717 158 2HB ALA 21 HB2 ALA 21 5.157 -6.164 -10.500 159 3HB ALA 21 HB1 ALA 21 6.697 -6.058 -11.352 160 H ILE 22 HN ILE 22 4.588 -4.496 -8.063 161 HA ILE 22 HA ILE 22 2.474 -3.412 -9.686 162 HB ILE 22 HB ILE 22 2.768 -3.397 -6.664 163 1HG1 ILE 22 HG12 ILE 22 1.066 -5.359 -8.140 164 2HG1 ILE 22 HG11 ILE 22 2.810 -5.622 -8.165 165 1HG2 ILE 22 HG21 ILE 22 0.338 -3.158 -8.465 166 2HG2 ILE 22 HG23 ILE 22 0.296 -3.256 -6.705 167 3HG2 ILE 22 HG22 ILE 22 1.032 -1.860 -7.493 168 1HD1 ILE 22 HD11 ILE 22 1.824 -4.918 -5.502 169 2HD1 ILE 22 HD13 ILE 22 1.085 -6.392 -6.127 170 3HD1 ILE 22 HD12 ILE 22 2.840 -6.271 -5.999 171 H ILE 23 HN ILE 23 4.753 -1.957 -7.369 172 HA ILE 23 HA ILE 23 3.686 0.686 -7.445 173 HB ILE 23 HB ILE 23 6.517 -0.305 -6.996 174 1HG1 ILE 23 HG12 ILE 23 4.667 0.843 -4.924 175 2HG1 ILE 23 HG11 ILE 23 4.467 -0.836 -5.427 176 1HG2 ILE 23 HG21 ILE 23 5.569 2.353 -7.476 177 2HG2 ILE 23 HG23 ILE 23 6.015 2.225 -5.775 178 3HG2 ILE 23 HG22 ILE 23 7.195 1.839 -7.028 179 1HD1 ILE 23 HD11 ILE 23 7.083 0.352 -4.460 180 2HD1 ILE 23 HD13 ILE 23 5.980 -0.580 -3.447 181 3HD1 ILE 23 HD12 ILE 23 6.768 -1.344 -4.828 182 H GLN 24 HN GLN 24 6.434 -0.696 -9.298 183 HA GLN 24 HA GLN 24 6.821 1.577 -10.961 184 1HB GLN 24 HB2 GLN 24 7.535 -1.304 -11.074 185 2HB GLN 24 HB1 GLN 24 7.489 -0.474 -12.630 186 1HG GLN 24 HG2 GLN 24 9.027 1.236 -11.804 187 2HG GLN 24 HG1 GLN 24 9.020 0.501 -10.200 188 1HE2 GLN 24 HE22 GLN 24 12.023 -0.987 -11.569 189 2HE2 GLN 24 HE21 GLN 24 11.486 0.402 -10.755 190 H ASP 25 HN ASP 25 4.474 -1.049 -11.095 191 HA ASP 25 HA ASP 25 3.496 -0.859 -13.700 192 1HB ASP 25 HB2 ASP 25 2.603 -2.223 -11.636 193 2HB ASP 25 HB1 ASP 25 1.556 -0.823 -11.399 194 H ASN 26 HN ASN 26 2.720 1.236 -10.922 195 HA ASN 26 HA ASN 26 1.269 3.115 -12.662 196 1HB ASN 26 HB2 ASN 26 2.102 3.541 -9.783 197 2HB ASN 26 HB1 ASN 26 0.778 4.315 -10.652 198 1HD2 ASN 26 HD22 ASN 26 0.268 0.543 -9.145 199 2HD2 ASN 26 HD21 ASN 26 1.821 1.224 -9.214 200 HA PRO 27 HA PRO 27 5.052 5.259 -13.334 201 1HB PRO 27 HB2 PRO 27 3.727 7.391 -14.738 202 2HB PRO 27 HB1 PRO 27 4.645 6.042 -15.422 203 1HG PRO 27 HG2 PRO 27 1.792 6.428 -15.466 204 2HG PRO 27 HG1 PRO 27 2.716 5.080 -16.142 205 1HD PRO 27 HD2 PRO 27 1.039 5.067 -13.805 206 2HD PRO 27 HD1 PRO 27 1.975 3.722 -14.481 207 H HIS 28 HN HIS 28 3.873 5.723 -10.801 208 HA HIS 28 HA HIS 28 4.637 8.541 -10.393 209 1HB HIS 28 HB2 HIS 28 2.066 8.212 -10.830 210 2HB HIS 28 HB1 HIS 28 2.062 7.612 -9.173 211 HD1 HIS 28 HD1 HIS 28 1.685 10.666 -10.978 212 HD2 HIS 28 HD2 HIS 28 3.570 9.637 -7.406 213 HE1 HIS 28 HE1 HIS 28 2.005 12.824 -9.690 214 H ALA 29 HN ALA 29 3.289 5.627 -8.815 215 HA ALA 29 HA ALA 29 3.982 6.029 -6.181 216 1HB ALA 29 HB1 ALA 29 4.159 3.560 -7.897 217 2HB ALA 29 HB3 ALA 29 4.625 3.506 -6.197 218 3HB ALA 29 HB2 ALA 29 2.979 3.954 -6.647 219 H VAL 30 HN VAL 30 5.864 6.018 -4.947 220 HA VAL 30 HA VAL 30 8.404 6.146 -6.499 221 HB VAL 30 HB VAL 30 8.337 6.833 -3.598 222 1HG1 VAL 30 HG11 VAL 30 9.826 7.503 -6.052 223 2HG1 VAL 30 HG13 VAL 30 9.509 8.884 -5.002 224 3HG1 VAL 30 HG12 VAL 30 10.372 7.480 -4.375 225 1HG2 VAL 30 HG22 VAL 30 6.941 8.434 -5.759 226 2HG2 VAL 30 HG21 VAL 30 6.258 7.859 -4.238 227 3HG2 VAL 30 HG23 VAL 30 7.470 9.140 -4.232 228 H VAL 31 HN VAL 31 10.251 5.519 -4.574 229 HA VAL 31 HA VAL 31 9.599 3.116 -3.109 230 HB VAL 31 HB VAL 31 9.527 2.012 -5.212 231 1HG1 VAL 31 HG13 VAL 31 12.070 3.519 -5.878 232 2HG1 VAL 31 HG12 VAL 31 11.325 2.295 -6.906 233 3HG1 VAL 31 HG11 VAL 31 10.477 3.806 -6.578 234 1HG2 VAL 31 HG22 VAL 31 10.963 0.912 -3.487 235 2HG2 VAL 31 HG21 VAL 31 11.459 0.519 -5.133 236 3HG2 VAL 31 HG23 VAL 31 12.369 1.706 -4.197 237 H GLN 32 HN GLN 32 11.644 2.112 -2.224 238 HA GLN 32 HA GLN 32 14.004 3.907 -2.316 239 1HB GLN 32 HB2 GLN 32 12.129 3.738 -0.096 240 2HB GLN 32 HB1 GLN 32 13.754 3.261 0.398 241 1HG GLN 32 HG2 GLN 32 13.089 5.809 -1.106 242 2HG GLN 32 HG1 GLN 32 13.378 5.713 0.631 243 1HE2 GLN 32 HE22 GLN 32 16.527 6.082 -1.771 244 2HE2 GLN 32 HE21 GLN 32 14.932 6.451 -2.219 245 H HIS 33 HN HIS 33 14.734 1.922 -3.496 246 HA HIS 33 HA HIS 33 14.869 -0.670 -2.482 247 1HB HIS 33 HB2 HIS 33 17.128 -0.776 -3.699 248 2HB HIS 33 HB1 HIS 33 15.734 -0.297 -4.668 249 HD1 HIS 33 HD1 HIS 33 17.662 0.902 -6.177 250 HD2 HIS 33 HD2 HIS 33 16.933 2.587 -2.435 251 HE1 HIS 33 HE1 HIS 33 18.672 3.223 -6.229 252 H HIS 34 HN HIS 34 15.303 -1.002 -0.317 253 HA HIS 34 HA HIS 34 17.739 0.297 0.817 254 1HB HIS 34 HB2 HIS 34 15.118 -0.360 1.879 255 2HB HIS 34 HB1 HIS 34 16.393 -1.081 2.860 256 HD1 HIS 34 HD1 HIS 34 15.836 2.305 1.170 257 HD2 HIS 34 HD2 HIS 34 17.300 0.719 4.736 258 HE1 HIS 34 HE1 HIS 34 16.513 4.277 2.605 259 HA PRO 35 HA PRO 35 19.850 -3.464 1.293 260 1HB PRO 35 HB2 PRO 35 19.974 -3.733 4.158 261 2HB PRO 35 HB1 PRO 35 21.235 -3.152 3.061 262 1HG PRO 35 HG2 PRO 35 19.660 -1.602 4.903 263 2HG PRO 35 HG1 PRO 35 20.908 -1.025 3.790 264 1HD PRO 35 HD2 PRO 35 18.061 -0.656 3.586 265 2HD PRO 35 HD1 PRO 35 19.316 -0.087 2.470 266 H ALA 36 HN ALA 36 18.011 -3.785 4.335 267 HA ALA 36 HA ALA 36 16.705 -6.205 3.151 268 1HB ALA 36 HB2 ALA 36 17.738 -5.684 5.945 269 2HB ALA 36 HB1 ALA 36 16.602 -6.986 5.589 270 3HB ALA 36 HB3 ALA 36 18.199 -6.980 4.840 271 H MET 37 HN MET 37 16.074 -3.112 3.999 272 HA MET 37 HA MET 37 13.379 -3.787 5.107 273 1HB MET 37 HB2 MET 37 14.823 -1.121 5.211 274 2HB MET 37 HB1 MET 37 13.327 -1.548 6.044 275 1HG MET 37 HG2 MET 37 14.543 -3.293 7.314 276 2HG MET 37 HG1 MET 37 16.039 -2.826 6.506 277 1HE MET 37 HE2 MET 37 14.657 -2.960 9.529 278 2HE MET 37 HE1 MET 37 16.409 -2.776 9.509 279 3HE MET 37 HE3 MET 37 15.409 -1.650 10.436 280 H ILE 38 HN ILE 38 11.563 -2.520 4.242 281 HA ILE 38 HA ILE 38 12.108 -1.318 1.564 282 HB ILE 38 HB ILE 38 9.964 -2.462 0.797 283 1HG1 ILE 38 HG12 ILE 38 10.498 -4.093 3.303 284 2HG1 ILE 38 HG11 ILE 38 9.127 -3.008 3.071 285 1HG2 ILE 38 HG21 ILE 38 12.431 -4.041 1.568 286 2HG2 ILE 38 HG23 ILE 38 11.145 -4.715 0.567 287 3HG2 ILE 38 HG22 ILE 38 12.060 -3.316 0.003 288 1HD1 ILE 38 HD13 ILE 38 8.598 -4.403 0.975 289 2HD1 ILE 38 HD12 ILE 38 9.735 -5.587 1.621 290 3HD1 ILE 38 HD11 ILE 38 8.288 -5.164 2.536 291 H ARG 39 HN ARG 39 11.749 0.780 2.428 292 HA ARG 39 HA ARG 39 9.255 1.326 3.880 293 1HB ARG 39 HB2 ARG 39 11.797 2.585 3.622 294 2HB ARG 39 HB1 ARG 39 10.580 3.727 3.053 295 1HG ARG 39 HG2 ARG 39 9.279 3.342 5.138 296 2HG ARG 39 HG1 ARG 39 10.559 2.274 5.715 297 1HD ARG 39 HD2 ARG 39 10.807 4.558 6.636 298 2HD ARG 39 HD1 ARG 39 12.173 4.126 5.608 299 HE ARG 39 HE ARG 39 10.425 5.403 3.879 300 1HH1 ARG 39 HH21 ARG 39 11.888 6.108 6.927 301 2HH1 ARG 39 HH22 ARG 39 11.936 7.817 6.653 302 1HH2 ARG 39 HH11 ARG 39 10.485 7.635 3.514 303 2HH2 ARG 39 HH12 ARG 39 11.143 8.680 4.728 304 H ILE 40 HN ILE 40 7.767 3.057 3.102 305 HA ILE 40 HA ILE 40 7.774 3.562 0.201 306 HB ILE 40 HB ILE 40 5.576 2.017 1.602 307 1HG1 ILE 40 HG12 ILE 40 6.142 0.646 -0.649 308 2HG1 ILE 40 HG11 ILE 40 7.716 1.395 -0.379 309 1HG2 ILE 40 HG23 ILE 40 5.646 3.296 -1.148 310 2HG2 ILE 40 HG22 ILE 40 4.435 2.122 -0.632 311 3HG2 ILE 40 HG21 ILE 40 4.544 3.688 0.172 312 1HD1 ILE 40 HD13 ILE 40 7.377 0.583 2.094 313 2HD1 ILE 40 HD12 ILE 40 6.215 -0.531 1.374 314 3HD1 ILE 40 HD11 ILE 40 7.905 -0.572 0.870 315 H GLU 41 HN GLU 41 6.044 5.191 -0.374 316 HA GLU 41 HA GLU 41 4.675 6.545 1.807 317 1HB GLU 41 HB2 GLU 41 5.961 8.721 1.024 318 2HB GLU 41 HB1 GLU 41 6.621 7.686 2.284 319 1HG GLU 41 HG2 GLU 41 8.334 6.962 0.965 320 2HG GLU 41 HG1 GLU 41 7.325 6.913 -0.482 321 H ALA 42 HN ALA 42 3.278 8.268 1.004 322 HA ALA 42 HA ALA 42 2.957 8.305 -1.975 323 1HB ALA 42 HB3 ALA 42 1.231 6.876 -0.710 324 2HB ALA 42 HB2 ALA 42 0.628 8.396 -0.049 325 3HB ALA 42 HB1 ALA 42 0.591 8.115 -1.790 326 H GLU 43 HN GLU 43 1.295 10.268 -2.477 327 HA GLU 43 HA GLU 43 1.582 12.505 -0.599 328 1HB GLU 43 HB2 GLU 43 2.714 13.888 -2.478 329 2HB GLU 43 HB1 GLU 43 3.714 12.799 -1.515 330 1HG GLU 43 HG2 GLU 43 3.855 11.203 -3.230 331 2HG GLU 43 HG1 GLU 43 2.422 11.821 -4.053 332 H LYS 44 HN LYS 44 -0.881 11.955 -1.097 333 HA LYS 44 HA LYS 44 -2.025 14.101 -2.461 334 1HB LYS 44 HB2 LYS 44 -0.892 12.333 -4.331 335 2HB LYS 44 HB1 LYS 44 -2.623 12.024 -4.401 336 1HG LYS 44 HG2 LYS 44 -2.901 14.585 -4.483 337 2HG LYS 44 HG1 LYS 44 -1.175 14.636 -4.843 338 1HD LYS 44 HD2 LYS 44 -1.923 12.751 -6.615 339 2HD LYS 44 HD1 LYS 44 -3.432 13.660 -6.517 340 1HE LYS 44 HE2 LYS 44 -2.266 14.777 -8.223 341 2HE LYS 44 HE1 LYS 44 -1.914 15.759 -6.801 342 1HZ LYS 44 HZ1 LYS 44 0.025 13.892 -6.715 343 2HZ LYS 44 HZ3 LYS 44 -0.151 14.120 -8.386 344 3HZ LYS 44 HZ2 LYS 44 0.205 15.444 -7.383 345 H ARG 45 HN ARG 45 -4.212 12.652 -3.791 346 HA ARG 45 HA ARG 45 -5.456 11.323 -1.417 347 1HB ARG 45 HB2 ARG 45 -6.555 13.414 -3.294 348 2HB ARG 45 HB1 ARG 45 -7.636 12.315 -2.436 349 1HG ARG 45 HG2 ARG 45 -7.169 13.235 -0.381 350 2HG ARG 45 HG1 ARG 45 -5.517 13.659 -0.830 351 1HD ARG 45 HD2 ARG 45 -6.647 15.740 -0.694 352 2HD ARG 45 HD1 ARG 45 -6.577 15.385 -2.420 353 HE ARG 45 HE ARG 45 -8.994 14.294 -1.626 354 1HH1 ARG 45 HH21 ARG 45 -7.424 17.356 -1.339 355 2HH1 ARG 45 HH22 ARG 45 -8.901 18.259 -1.351 356 1HH2 ARG 45 HH11 ARG 45 -10.926 15.460 -1.650 357 2HH2 ARG 45 HH12 ARG 45 -10.882 17.187 -1.529 358 H LEU 46 HN LEU 46 -6.439 9.397 -1.866 359 HA LEU 46 HA LEU 46 -6.743 8.619 -4.734 360 1HB LEU 46 HB2 LEU 46 -6.237 6.395 -2.889 361 2HB LEU 46 HB1 LEU 46 -5.465 6.762 -4.428 362 HG LEU 46 HG LEU 46 -4.797 8.009 -1.743 363 1HD1 LEU 46 HD11 LEU 46 -4.016 5.586 -2.610 364 2HD1 LEU 46 HD13 LEU 46 -2.804 6.577 -3.422 365 3HD1 LEU 46 HD12 LEU 46 -2.961 6.639 -1.667 366 1HD2 LEU 46 HD21 LEU 46 -4.452 9.023 -4.386 367 2HD2 LEU 46 HD23 LEU 46 -3.840 9.696 -2.875 368 3HD2 LEU 46 HD22 LEU 46 -2.866 8.541 -3.784 369 H GLU 47 HN GLU 47 -8.386 6.832 -5.015 370 HA GLU 47 HA GLU 47 -10.138 6.075 -2.887 371 1HB GLU 47 HB2 GLU 47 -12.063 7.468 -3.291 372 2HB GLU 47 HB1 GLU 47 -10.681 8.537 -3.042 373 1HG GLU 47 HG2 GLU 47 -10.606 8.049 -5.769 374 2HG GLU 47 HG1 GLU 47 -12.334 8.159 -5.433 375 H ILE 48 HN ILE 48 -12.001 4.865 -3.644 376 HA ILE 48 HA ILE 48 -12.225 4.342 -6.530 377 HB ILE 48 HB ILE 48 -12.006 1.811 -5.062 378 1HG1 ILE 48 HG12 ILE 48 -9.440 3.354 -5.518 379 2HG1 ILE 48 HG11 ILE 48 -10.230 3.278 -3.942 380 1HG2 ILE 48 HG21 ILE 48 -12.163 2.058 -7.524 381 2HG2 ILE 48 HG23 ILE 48 -10.620 2.913 -7.523 382 3HG2 ILE 48 HG22 ILE 48 -10.689 1.217 -7.044 383 1HD1 ILE 48 HD11 ILE 48 -10.221 0.638 -4.656 384 2HD1 ILE 48 HD13 ILE 48 -8.718 1.196 -5.392 385 3HD1 ILE 48 HD12 ILE 48 -8.980 1.396 -3.659 386 H ARG 49 HN ARG 49 -14.184 3.102 -7.009 387 HA ARG 49 HA ARG 49 -16.183 3.407 -4.838 388 1HB ARG 49 HB2 ARG 49 -16.555 4.501 -7.055 389 2HB ARG 49 HB1 ARG 49 -16.654 2.899 -7.780 390 1HG ARG 49 HG2 ARG 49 -18.640 2.367 -6.621 391 2HG ARG 49 HG1 ARG 49 -18.381 3.633 -5.420 392 1HD ARG 49 HD2 ARG 49 -20.079 4.487 -6.845 393 2HD ARG 49 HD1 ARG 49 -18.601 5.296 -7.367 394 HE ARG 49 HE ARG 49 -18.726 3.048 -8.981 395 1HH1 ARG 49 HH21 ARG 49 -20.842 5.652 -8.156 396 2HH1 ARG 49 HH22 ARG 49 -21.649 5.651 -9.687 397 1HH2 ARG 49 HH11 ARG 49 -19.773 3.040 -10.981 398 2HH2 ARG 49 HH12 ARG 49 -21.045 4.176 -11.284 399 H ARG 50 HN ARG 50 -17.269 1.289 -7.239 400 HA ARG 50 HA ARG 50 -17.603 -0.911 -5.484 401 1HB ARG 50 HB2 ARG 50 -18.061 -0.329 -8.324 402 2HB ARG 50 HB1 ARG 50 -17.672 -2.020 -8.011 403 1HG ARG 50 HG2 ARG 50 -20.121 -1.552 -7.870 404 2HG ARG 50 HG1 ARG 50 -19.455 -2.169 -6.358 405 1HD ARG 50 HD2 ARG 50 -19.095 0.479 -5.955 406 2HD ARG 50 HD1 ARG 50 -20.519 0.528 -6.994 407 HE ARG 50 HE ARG 50 -21.167 -1.390 -5.116 408 1HH1 ARG 50 HH21 ARG 50 -20.004 1.861 -5.037 409 2HH1 ARG 50 HH22 ARG 50 -20.801 2.246 -3.549 410 1HH2 ARG 50 HH11 ARG 50 -22.209 -0.898 -3.173 411 2HH2 ARG 50 HH12 ARG 50 -22.046 0.687 -2.495 412 H GLU 51 HN GLU 51 -14.734 0.182 -6.886 413 HA GLU 51 HA GLU 51 -13.426 -2.173 -7.710 414 1HB GLU 51 HB2 GLU 51 -12.468 0.134 -7.862 415 2HB GLU 51 HB1 GLU 51 -12.190 0.090 -6.121 416 1HG GLU 51 HG2 GLU 51 -10.300 -1.100 -6.395 417 2HG GLU 51 HG1 GLU 51 -11.155 -2.312 -7.349 418 H THR 52 HN THR 52 -14.626 -1.358 -4.596 419 HA THR 52 HA THR 52 -12.764 -2.709 -2.933 420 HB THR 52 HB THR 52 -15.718 -2.885 -2.410 421 HG1 THR 52 HG1 THR 52 -15.831 -0.818 -2.681 422 1HG2 THR 52 HG21 THR 52 -13.926 -3.774 -0.840 423 2HG2 THR 52 HG23 THR 52 -13.433 -2.098 -0.595 424 3HG2 THR 52 HG22 THR 52 -15.052 -2.617 -0.129 425 H VAL 53 HN VAL 53 -15.487 -3.986 -4.829 426 HA VAL 53 HA VAL 53 -15.491 -6.637 -3.867 427 HB VAL 53 HB VAL 53 -15.925 -5.559 -6.670 428 1HG1 VAL 53 HG13 VAL 53 -15.179 -7.972 -6.636 429 2HG1 VAL 53 HG12 VAL 53 -16.588 -8.331 -5.639 430 3HG1 VAL 53 HG11 VAL 53 -16.802 -7.727 -7.281 431 1HG2 VAL 53 HG23 VAL 53 -17.487 -5.594 -4.288 432 2HG2 VAL 53 HG22 VAL 53 -17.984 -5.071 -5.897 433 3HG2 VAL 53 HG21 VAL 53 -18.214 -6.749 -5.405 434 H GLU 54 HN GLU 54 -13.268 -4.961 -6.003 435 HA GLU 54 HA GLU 54 -11.812 -7.307 -6.861 436 1HB GLU 54 HB2 GLU 54 -11.395 -5.406 -8.194 437 2HB GLU 54 HB1 GLU 54 -11.205 -4.351 -6.798 438 1HG GLU 54 HG2 GLU 54 -8.998 -4.796 -6.643 439 2HG GLU 54 HG1 GLU 54 -9.266 -6.533 -6.792 440 H GLU 55 HN GLU 55 -11.514 -5.011 -4.172 441 HA GLU 55 HA GLU 55 -9.099 -5.901 -3.044 442 1HB GLU 55 HB2 GLU 55 -10.297 -4.042 -2.042 443 2HB GLU 55 HB1 GLU 55 -11.678 -5.075 -1.671 444 1HG GLU 55 HG2 GLU 55 -10.713 -5.853 0.219 445 2HG GLU 55 HG1 GLU 55 -9.171 -6.131 -0.593 446 H ASN 56 HN ASN 56 -12.351 -7.082 -2.103 447 HA ASN 56 HA ASN 56 -11.554 -9.358 -0.633 448 1HB ASN 56 HB2 ASN 56 -13.977 -8.343 -1.582 449 2HB ASN 56 HB1 ASN 56 -13.847 -9.917 -2.368 450 1HD2 ASN 56 HD22 ASN 56 -13.415 -11.469 1.030 451 2HD2 ASN 56 HD21 ASN 56 -12.414 -11.333 -0.334 452 H LEU 57 HN LEU 57 -11.602 -8.919 -4.154 453 HA LEU 57 HA LEU 57 -11.342 -11.637 -4.904 454 1HB LEU 57 HB2 LEU 57 -11.419 -9.708 -6.528 455 2HB LEU 57 HB1 LEU 57 -9.754 -9.333 -6.082 456 HG LEU 57 HG LEU 57 -9.352 -11.880 -6.629 457 1HD1 LEU 57 HD13 LEU 57 -12.071 -11.354 -7.586 458 2HD1 LEU 57 HD12 LEU 57 -11.012 -11.986 -8.846 459 3HD1 LEU 57 HD11 LEU 57 -11.242 -12.893 -7.351 460 1HD2 LEU 57 HD22 LEU 57 -8.544 -9.715 -7.809 461 2HD2 LEU 57 HD21 LEU 57 -8.536 -11.212 -8.742 462 3HD2 LEU 57 HD23 LEU 57 -9.833 -10.039 -8.969 463 H GLY 58 HN GLY 58 -8.702 -9.312 -4.200 464 1HA GLY 58 HA2 GLY 58 -6.606 -11.217 -4.019 465 2HA GLY 58 HA1 GLY 58 -6.641 -9.693 -3.118 466 H ARG 59 HN ARG 59 -9.243 -10.473 -1.993 467 HA ARG 59 HA ARG 59 -10.211 -12.109 -0.458 468 1HB ARG 59 HB2 ARG 59 -8.157 -13.388 -0.738 469 2HB ARG 59 HB1 ARG 59 -7.398 -12.290 0.389 470 1HG ARG 59 HG2 ARG 59 -9.432 -12.928 1.942 471 2HG ARG 59 HG1 ARG 59 -9.525 -14.350 0.904 472 1HD ARG 59 HD2 ARG 59 -6.798 -13.747 1.776 473 2HD ARG 59 HD1 ARG 59 -7.882 -14.083 3.123 474 HE ARG 59 HE ARG 59 -6.765 -16.037 1.399 475 1HH1 ARG 59 HH21 ARG 59 -9.874 -15.119 2.627 476 2HH1 ARG 59 HH22 ARG 59 -10.593 -16.652 2.278 477 1HH2 ARG 59 HH11 ARG 59 -7.698 -18.033 0.976 478 2HH2 ARG 59 HH12 ARG 59 -9.367 -18.299 1.359 479 H ALA 60 HN ALA 60 -9.781 -9.249 -0.581 480 HA ALA 60 HA ALA 60 -9.921 -7.415 0.888 481 1HB ALA 60 HB2 ALA 60 -11.487 -9.079 2.149 482 2HB ALA 60 HB1 ALA 60 -10.077 -9.445 3.143 483 3HB ALA 60 HB3 ALA 60 -10.733 -7.809 3.113 484 H TRP 61 HN TRP 61 -7.803 -6.846 0.517 485 HA TRP 61 HA TRP 61 -5.407 -7.856 0.707 486 1HB TRP 61 HB2 TRP 61 -5.553 -5.477 0.547 487 2HB TRP 61 HB1 TRP 61 -6.196 -5.342 2.182 488 HD1 TRP 61 HD1 TRP 61 -4.513 -5.685 4.205 489 HE1 TRP 61 HE1 TRP 61 -1.939 -5.501 4.346 490 HE3 TRP 61 HE3 TRP 61 -3.352 -5.876 -0.756 491 HZ2 TRP 61 HZ2 TRP 61 0.312 -5.443 2.573 492 HZ3 TRP 61 HZ3 TRP 61 -0.994 -5.756 -1.507 493 HH2 TRP 61 HH2 TRP 61 0.838 -5.540 0.149 494 H ASP 62 HN ASP 62 -5.657 -9.760 1.832 495 HA ASP 62 HA ASP 62 -5.520 -9.686 4.796 496 1HB ASP 62 HB2 ASP 62 -7.380 -10.974 3.759 497 2HB ASP 62 HB1 ASP 62 -6.209 -11.928 2.856 498 H VAL 63 HN VAL 63 -3.151 -9.040 4.336 499 HA VAL 63 HA VAL 63 -1.428 -11.234 3.391 500 HB VAL 63 HB VAL 63 -0.420 -8.743 4.723 501 1HG1 VAL 63 HG12 VAL 63 0.539 -10.822 2.847 502 2HG1 VAL 63 HG11 VAL 63 1.034 -9.176 2.453 503 3HG1 VAL 63 HG13 VAL 63 1.441 -9.867 4.024 504 1HG2 VAL 63 HG23 VAL 63 -1.843 -8.984 2.086 505 2HG2 VAL 63 HG22 VAL 63 -1.961 -7.709 3.298 506 3HG2 VAL 63 HG21 VAL 63 -0.533 -7.820 2.269 507 H GLN 64 HN GLN 64 -3.058 -10.831 6.155 508 HA GLN 64 HA GLN 64 -1.401 -10.882 8.351 509 1HB GLN 64 HB2 GLN 64 -3.900 -12.345 7.654 510 2HB GLN 64 HB1 GLN 64 -3.001 -12.930 9.055 511 1HG GLN 64 HG2 GLN 64 -4.714 -11.177 9.618 512 2HG GLN 64 HG1 GLN 64 -3.072 -10.741 10.093 513 1HE2 GLN 64 HE22 GLN 64 -2.818 -8.058 7.769 514 2HE2 GLN 64 HE21 GLN 64 -1.958 -9.082 8.816 515 H GLU 65 HN GLU 65 -1.726 -13.433 5.923 516 HA GLU 65 HA GLU 65 -0.239 -15.444 7.327 517 1HB GLU 65 HB2 GLU 65 -1.128 -14.959 4.550 518 2HB GLU 65 HB1 GLU 65 0.343 -15.922 4.691 519 1HG GLU 65 HG2 GLU 65 -1.945 -16.589 6.496 520 2HG GLU 65 HG1 GLU 65 -2.062 -17.062 4.801 521 H MET 66 HN MET 66 0.782 -13.055 4.882 522 HA MET 66 HA MET 66 3.607 -13.675 5.194 523 1HB MET 66 HB2 MET 66 1.931 -12.034 3.514 524 2HB MET 66 HB1 MET 66 3.313 -11.107 4.091 525 1HG MET 66 HG2 MET 66 4.235 -12.117 2.204 526 2HG MET 66 HG1 MET 66 4.651 -13.298 3.447 527 1HE MET 66 HE3 MET 66 2.121 -12.074 0.980 528 2HE MET 66 HE2 MET 66 1.148 -13.463 0.502 529 3HE MET 66 HE1 MET 66 0.904 -12.728 2.084 530 H LEU 67 HN LEU 67 1.465 -12.098 7.167 531 HA LEU 67 HA LEU 67 2.446 -9.718 8.059 532 1HB LEU 67 HB2 LEU 67 1.659 -10.241 10.265 533 2HB LEU 67 HB1 LEU 67 0.608 -11.091 9.133 534 HG LEU 67 HG LEU 67 2.303 -13.065 9.443 535 1HD1 LEU 67 HD11 LEU 67 3.218 -11.093 11.391 536 2HD1 LEU 67 HD13 LEU 67 2.814 -12.632 12.152 537 3HD1 LEU 67 HD12 LEU 67 4.002 -12.577 10.850 538 1HD2 LEU 67 HD23 LEU 67 -0.071 -12.214 10.848 539 2HD2 LEU 67 HD22 LEU 67 0.435 -13.850 10.427 540 3HD2 LEU 67 HD21 LEU 67 0.973 -13.124 11.941 541 H VAL 68 HN VAL 68 4.165 -12.771 8.298 542 HA VAL 68 HA VAL 68 5.994 -12.453 10.309 543 HB VAL 68 HB VAL 68 7.716 -13.442 8.706 544 1HG1 VAL 68 HG12 VAL 68 5.389 -14.522 9.861 545 2HG1 VAL 68 HG11 VAL 68 5.447 -15.179 8.226 546 3HG1 VAL 68 HG13 VAL 68 6.811 -15.412 9.318 547 1HG2 VAL 68 HG22 VAL 68 5.345 -13.176 6.833 548 2HG2 VAL 68 HG21 VAL 68 6.928 -12.423 6.638 549 3HG2 VAL 68 HG23 VAL 68 6.762 -14.173 6.505 550 H ASP 69 HN ASP 69 6.190 -10.802 7.152 551 HA ASP 69 HA ASP 69 8.614 -9.375 7.705 552 1HB ASP 69 HB2 ASP 69 7.763 -7.834 5.875 553 2HB ASP 69 HB1 ASP 69 7.848 -9.536 5.428 554 H VAL 70 HN VAL 70 8.883 -7.200 8.433 555 HA VAL 70 HA VAL 70 7.104 -6.339 10.509 556 HB VAL 70 HB VAL 70 9.072 -4.605 8.989 557 1HG1 VAL 70 HG12 VAL 70 7.786 -4.477 11.722 558 2HG1 VAL 70 HG11 VAL 70 9.226 -3.546 11.311 559 3HG1 VAL 70 HG13 VAL 70 7.720 -3.272 10.436 560 1HG2 VAL 70 HG21 VAL 70 9.852 -6.916 10.014 561 2HG2 VAL 70 HG23 VAL 70 10.816 -5.462 10.279 562 3HG2 VAL 70 HG22 VAL 70 9.730 -6.042 11.541 563 H ILE 71 HN ILE 71 6.022 -4.063 10.404 564 HA ILE 71 HA ILE 71 4.985 -3.482 7.680 565 HB ILE 71 HB ILE 71 3.099 -3.772 10.017 566 1HG1 ILE 71 HG12 ILE 71 3.630 -5.876 7.905 567 2HG1 ILE 71 HG11 ILE 71 4.374 -5.921 9.503 568 1HG2 ILE 71 HG21 ILE 71 2.945 -3.053 7.196 569 2HG2 ILE 71 HG23 ILE 71 1.857 -4.380 7.599 570 3HG2 ILE 71 HG22 ILE 71 1.742 -2.850 8.468 571 1HD1 ILE 71 HD12 ILE 71 1.482 -5.453 9.602 572 2HD1 ILE 71 HD11 ILE 71 1.908 -6.995 8.859 573 3HD1 ILE 71 HD13 ILE 71 2.462 -6.620 10.490 574 H THR 72 HN THR 72 3.936 -1.387 7.532 575 HA THR 72 HA THR 72 3.984 0.419 9.820 576 HB THR 72 HB THR 72 5.564 1.690 7.749 577 HG1 THR 72 HG1 THR 72 7.001 -0.302 9.047 578 1HG2 THR 72 HG21 THR 72 5.267 2.330 10.184 579 2HG2 THR 72 HG23 THR 72 6.310 0.967 10.588 580 3HG2 THR 72 HG22 THR 72 6.938 2.299 9.618 581 H ILE 73 HN ILE 73 2.610 2.186 9.440 582 HA ILE 73 HA ILE 73 1.641 2.610 6.680 583 HB ILE 73 HB ILE 73 -0.718 2.750 7.951 584 1HG1 ILE 73 HG12 ILE 73 0.216 0.277 9.259 585 2HG1 ILE 73 HG11 ILE 73 0.845 1.762 9.974 586 1HG2 ILE 73 HG21 ILE 73 0.301 1.218 6.006 587 2HG2 ILE 73 HG23 ILE 73 0.163 -0.013 7.260 588 3HG2 ILE 73 HG22 ILE 73 -1.268 0.873 6.734 589 1HD1 ILE 73 HD13 ILE 73 -2.087 1.459 9.331 590 2HD1 ILE 73 HD12 ILE 73 -1.422 0.879 10.858 591 3HD1 ILE 73 HD11 ILE 73 -1.318 2.590 10.445 592 H GLY 74 HN GLY 74 0.311 4.616 6.523 593 1HA GLY 74 HA2 GLY 74 0.146 6.513 8.670 594 2HA GLY 74 HA1 GLY 74 1.551 6.869 7.667 595 H GLY 75 HN GLY 75 -1.920 6.191 7.396 596 1HA GLY 75 HA2 GLY 75 -3.092 8.194 6.201 597 2HA GLY 75 HA1 GLY 75 -1.986 7.784 4.883 598 H ASN 76 HN ASN 76 -4.999 7.067 6.270 599 HA ASN 76 HA ASN 76 -5.456 4.982 4.269 600 1HB ASN 76 HB2 ASN 76 -6.399 3.516 6.248 601 2HB ASN 76 HB1 ASN 76 -4.698 3.431 5.790 602 1HD2 ASN 76 HD22 ASN 76 -5.713 4.850 9.446 603 2HD2 ASN 76 HD21 ASN 76 -6.884 4.278 8.358 604 H VAL 77 HN VAL 77 -7.542 4.845 3.705 605 HA VAL 77 HA VAL 77 -9.702 5.829 5.421 606 HB VAL 77 HB VAL 77 -9.562 6.960 2.645 607 1HG1 VAL 77 HG12 VAL 77 -11.513 7.056 4.385 608 2HG1 VAL 77 HG11 VAL 77 -10.531 8.307 5.147 609 3HG1 VAL 77 HG13 VAL 77 -11.089 8.514 3.487 610 1HG2 VAL 77 HG23 VAL 77 -7.367 7.463 3.766 611 2HG2 VAL 77 HG22 VAL 77 -8.327 8.902 3.425 612 3HG2 VAL 77 HG21 VAL 77 -8.264 8.252 5.063 613 H ASP 78 HN ASP 78 -8.718 3.362 4.255 614 HA ASP 78 HA ASP 78 -9.851 2.412 1.935 615 1HB ASP 78 HB2 ASP 78 -9.782 0.211 2.898 616 2HB ASP 78 HB1 ASP 78 -8.419 1.128 3.535 617 H GLU 79 HN GLU 79 -11.422 2.760 4.972 618 HA GLU 79 HA GLU 79 -13.973 2.003 3.633 619 1HB GLU 79 HB2 GLU 79 -12.977 1.710 6.439 620 2HB GLU 79 HB1 GLU 79 -14.714 1.882 6.178 621 1HG GLU 79 HG2 GLU 79 -13.429 -0.002 4.326 622 2HG GLU 79 HG1 GLU 79 -13.326 -0.493 6.017 623 H ASP 80 HN ASP 80 -14.842 3.882 2.876 624 HA ASP 80 HA ASP 80 -15.111 6.131 4.831 625 1HB ASP 80 HB2 ASP 80 -13.783 6.746 2.855 626 2HB ASP 80 HB1 ASP 80 -15.098 6.228 1.798 627 H ASP 81 HN ASP 81 -16.795 5.105 1.835 628 HA ASP 81 HA ASP 81 -19.363 5.491 3.305 629 1HB ASP 81 HB2 ASP 81 -18.617 5.697 0.388 630 2HB ASP 81 HB1 ASP 81 -20.295 5.535 0.901 631 H ASP 82 HN ASP 82 -19.236 3.734 0.287 632 HA ASP 82 HA ASP 82 -19.546 1.168 1.787 633 1HB ASP 82 HB2 ASP 82 -21.329 2.346 -0.341 634 2HB ASP 82 HB1 ASP 82 -21.249 0.601 -0.093 635 H ARG 83 HN ARG 83 -17.791 2.860 -0.411 636 HA ARG 83 HA ARG 83 -17.228 0.519 -2.160 637 1HB ARG 83 HB2 ARG 83 -15.797 2.406 -3.315 638 2HB ARG 83 HB1 ARG 83 -17.532 2.320 -3.574 639 1HG ARG 83 HG2 ARG 83 -16.511 3.922 -1.260 640 2HG ARG 83 HG1 ARG 83 -16.374 4.604 -2.882 641 1HD ARG 83 HD2 ARG 83 -18.984 3.420 -2.488 642 2HD ARG 83 HD1 ARG 83 -18.656 4.612 -1.235 643 HE ARG 83 HE ARG 83 -19.362 5.212 -3.912 644 1HH1 ARG 83 HH21 ARG 83 -16.946 6.073 -1.585 645 2HH1 ARG 83 HH22 ARG 83 -16.488 7.515 -2.421 646 1HH2 ARG 83 HH11 ARG 83 -18.776 7.096 -4.983 647 2HH2 ARG 83 HH12 ARG 83 -17.522 8.097 -4.331 648 H PHE 84 HN PHE 84 -14.682 2.817 -1.935 649 HA PHE 84 HA PHE 84 -13.276 1.809 0.347 650 1HB PHE 84 HB2 PHE 84 -13.074 -0.265 -0.876 651 2HB PHE 84 HB1 PHE 84 -12.598 0.589 -2.342 652 HD1 PHE 84 HD2 PHE 84 -10.417 1.878 -2.370 653 HD2 PHE 84 HD1 PHE 84 -11.468 -0.840 0.787 654 HE1 PHE 84 HE2 PHE 84 -8.042 1.775 -1.668 655 HE2 PHE 84 HE1 PHE 84 -9.091 -0.943 1.490 656 HZ PHE 84 HZ PHE 84 -7.378 0.366 0.262 657 H VAL 85 HN VAL 85 -12.070 3.620 0.811 658 HA VAL 85 HA VAL 85 -10.727 4.961 -1.518 659 HB VAL 85 HB VAL 85 -12.786 6.185 -0.771 660 1HG1 VAL 85 HG11 VAL 85 -12.576 5.555 1.633 661 2HG1 VAL 85 HG13 VAL 85 -11.198 6.649 1.764 662 3HG1 VAL 85 HG12 VAL 85 -12.798 7.287 1.388 663 1HG2 VAL 85 HG21 VAL 85 -10.431 7.238 -1.547 664 2HG2 VAL 85 HG23 VAL 85 -11.823 8.235 -1.142 665 3HG2 VAL 85 HG22 VAL 85 -10.550 7.970 0.048 666 H LEU 86 HN LEU 86 -9.016 6.606 -0.593 667 HA LEU 86 HA LEU 86 -7.816 6.230 1.984 668 1HB LEU 86 HB2 LEU 86 -7.156 4.056 1.363 669 2HB LEU 86 HB1 LEU 86 -6.881 4.503 -0.312 670 HG LEU 86 HG LEU 86 -4.814 4.111 1.216 671 1HD1 LEU 86 HD13 LEU 86 -5.320 5.755 -1.011 672 2HD1 LEU 86 HD12 LEU 86 -4.310 6.714 0.071 673 3HD1 LEU 86 HD11 LEU 86 -3.758 5.132 -0.479 674 1HD2 LEU 86 HD22 LEU 86 -6.077 6.048 2.751 675 2HD2 LEU 86 HD21 LEU 86 -4.388 5.560 2.893 676 3HD2 LEU 86 HD23 LEU 86 -4.821 6.949 1.907 677 H GLU 87 HN GLU 87 -6.563 8.094 2.171 678 HA GLU 87 HA GLU 87 -5.532 9.318 -0.336 679 1HB GLU 87 HB2 GLU 87 -6.649 10.829 2.022 680 2HB GLU 87 HB1 GLU 87 -6.178 11.478 0.460 681 1HG GLU 87 HG2 GLU 87 -8.156 10.940 -0.477 682 2HG GLU 87 HG1 GLU 87 -8.092 9.304 0.181 683 H TRP 88 HN TRP 88 -4.481 11.576 1.144 684 HA TRP 88 HA TRP 88 -1.861 10.824 1.618 685 1HB TRP 88 HB2 TRP 88 -1.659 13.026 2.451 686 2HB TRP 88 HB1 TRP 88 -2.933 13.116 1.266 687 HD1 TRP 88 HD1 TRP 88 -5.409 12.198 2.735 688 HE1 TRP 88 HE1 TRP 88 -6.369 13.475 4.758 689 HE3 TRP 88 HE3 TRP 88 -1.247 14.759 4.221 690 HZ2 TRP 88 HZ2 TRP 88 -5.490 15.336 6.744 691 HZ3 TRP 88 HZ3 TRP 88 -1.337 16.277 6.177 692 HH2 TRP 88 HH2 TRP 88 -3.451 16.567 7.440 693 H LYS 89 HN LYS 89 -1.334 11.948 4.210 694 HA LYS 89 HA LYS 89 -1.540 9.655 5.884 695 1HB LYS 89 HB2 LYS 89 -0.335 12.197 6.030 696 2HB LYS 89 HB1 LYS 89 -1.412 12.109 7.425 697 1HG LYS 89 HG2 LYS 89 -0.254 9.599 7.397 698 2HG LYS 89 HG1 LYS 89 1.075 10.645 6.895 699 1HD LYS 89 HD2 LYS 89 -0.650 11.067 9.354 700 2HD LYS 89 HD1 LYS 89 0.989 10.414 9.359 701 1HE LYS 89 HE2 LYS 89 1.300 12.723 7.895 702 2HE LYS 89 HE1 LYS 89 0.085 13.200 9.081 703 1HZ LYS 89 HZ3 LYS 89 1.958 11.724 10.464 704 2HZ LYS 89 HZ2 LYS 89 2.858 12.747 9.449 705 3HZ LYS 89 HZ1 LYS 89 1.726 13.402 10.534 706 H ASN 90 HN ASN 90 -2.528 10.867 8.340 707 HA ASN 90 HA ASN 90 -5.448 10.770 7.719 708 1HB ASN 90 HB2 ASN 90 -4.508 9.022 9.265 709 2HB ASN 90 HB1 ASN 90 -4.086 10.315 10.389 710 1HD2 ASN 90 HD22 ASN 90 -7.316 10.318 11.765 711 2HD2 ASN 90 HD21 ASN 90 -5.649 10.553 11.985 No H/Q in entry = 711 Start of MODEL 3 1 1H MET 1 HT2 MET 1 -2.175 19.899 3.785 2 2H MET 1 HT1 MET 1 -1.259 21.126 3.049 3 3H MET 1 HT3 MET 1 -2.043 19.965 2.092 4 HA MET 1 HA MET 1 0.037 19.091 2.051 5 1HB MET 1 HB2 MET 1 1.464 19.206 4.224 6 2HB MET 1 HB1 MET 1 1.261 20.681 3.278 7 1HG MET 1 HG2 MET 1 -0.953 20.527 5.056 8 2HG MET 1 HG1 MET 1 0.495 20.187 6.003 9 1HE MET 1 HE2 MET 1 -0.951 22.334 6.945 10 2HE MET 1 HE1 MET 1 0.731 22.389 7.466 11 3HE MET 1 HE3 MET 1 -0.064 23.855 6.877 12 H SER 2 HN SER 2 -2.494 17.906 2.858 13 HA SER 2 HA SER 2 -1.422 15.674 4.536 14 1HB SER 2 HB2 SER 2 -3.544 17.392 5.202 15 2HB SER 2 HB1 SER 2 -4.313 15.901 4.662 16 HG SER 2 HG SER 2 -2.444 16.309 6.740 17 H SER 3 HN SER 3 -0.961 15.146 2.072 18 HA SER 3 HA SER 3 -3.277 13.516 1.117 19 1HB SER 3 HB2 SER 3 -1.320 14.979 -0.675 20 2HB SER 3 HB1 SER 3 -2.747 14.076 -1.178 21 HG SER 3 HG SER 3 -3.306 16.222 -1.099 22 H LEU 4 HN LEU 4 -0.966 12.707 2.749 23 HA LEU 4 HA LEU 4 0.318 10.850 0.790 24 1HB LEU 4 HB2 LEU 4 2.178 10.809 2.615 25 2HB LEU 4 HB1 LEU 4 2.106 12.185 1.517 26 HG LEU 4 HG LEU 4 0.449 12.402 3.965 27 1HD1 LEU 4 HD11 LEU 4 3.140 11.544 4.183 28 2HD1 LEU 4 HD13 LEU 4 3.128 13.260 4.592 29 3HD1 LEU 4 HD12 LEU 4 2.095 12.136 5.474 30 1HD2 LEU 4 HD21 LEU 4 1.167 14.086 1.969 31 2HD2 LEU 4 HD23 LEU 4 0.755 14.644 3.590 32 3HD2 LEU 4 HD22 LEU 4 2.445 14.440 3.131 33 H VAL 5 HN VAL 5 1.091 8.788 1.918 34 HA VAL 5 HA VAL 5 -0.734 8.031 4.137 35 HB VAL 5 HB VAL 5 -1.480 6.152 3.012 36 1HG1 VAL 5 HG12 VAL 5 -1.983 8.383 1.788 37 2HG1 VAL 5 HG11 VAL 5 -0.865 7.777 0.566 38 3HG1 VAL 5 HG13 VAL 5 -2.329 6.871 0.949 39 1HG2 VAL 5 HG23 VAL 5 1.196 6.236 1.754 40 2HG2 VAL 5 HG22 VAL 5 0.253 4.847 2.291 41 3HG2 VAL 5 HG21 VAL 5 -0.093 5.597 0.734 42 H TYR 6 HN TYR 6 0.034 5.625 4.806 43 HA TYR 6 HA TYR 6 2.966 5.352 4.688 44 1HB TYR 6 HB2 TYR 6 2.969 6.680 6.620 45 2HB TYR 6 HB1 TYR 6 1.421 6.050 7.167 46 HD1 TYR 6 HD1 TYR 6 1.278 3.682 8.032 47 HD2 TYR 6 HD2 TYR 6 5.022 5.637 7.248 48 HE1 TYR 6 HE1 TYR 6 2.449 1.993 9.420 49 HE2 TYR 6 HE2 TYR 6 6.194 3.947 8.635 50 HH TYR 6 HH TYR 6 5.903 2.283 10.136 51 H ILE 7 HN ILE 7 3.576 3.197 4.955 52 HA ILE 7 HA ILE 7 1.743 1.203 6.060 53 HB ILE 7 HB ILE 7 1.357 -0.044 4.039 54 1HG1 ILE 7 HG12 ILE 7 2.302 1.287 1.869 55 2HG1 ILE 7 HG11 ILE 7 3.566 1.667 3.039 56 1HG2 ILE 7 HG22 ILE 7 -0.133 1.924 4.347 57 2HG2 ILE 7 HG21 ILE 7 0.971 2.890 3.368 58 3HG2 ILE 7 HG23 ILE 7 0.105 1.536 2.646 59 1HD1 ILE 7 HD13 ILE 7 2.561 -1.134 2.467 60 2HD1 ILE 7 HD12 ILE 7 4.017 -0.438 1.757 61 3HD1 ILE 7 HD11 ILE 7 3.921 -0.694 3.499 62 H ALA 8 HN ALA 8 2.883 -0.945 6.153 63 HA ALA 8 HA ALA 8 5.662 -0.999 5.218 64 1HB ALA 8 HB1 ALA 8 5.414 0.309 7.533 65 2HB ALA 8 HB3 ALA 8 5.427 -1.334 8.173 66 3HB ALA 8 HB2 ALA 8 6.786 -0.752 7.210 67 H PHE 9 HN PHE 9 6.489 -3.124 5.216 68 HA PHE 9 HA PHE 9 4.852 -5.228 6.494 69 1HB PHE 9 HB2 PHE 9 4.918 -6.473 4.307 70 2HB PHE 9 HB1 PHE 9 3.884 -5.049 4.287 71 HD1 PHE 9 HD1 PHE 9 5.135 -2.803 3.610 72 HD2 PHE 9 HD2 PHE 9 6.464 -6.759 2.610 73 HE1 PHE 9 HE1 PHE 9 6.490 -1.877 1.760 74 HE2 PHE 9 HE2 PHE 9 7.819 -5.839 0.758 75 HZ PHE 9 HZ PHE 9 7.835 -3.393 0.324 76 H GLN 10 HN GLN 10 6.067 -7.432 5.542 77 HA GLN 10 HA GLN 10 9.001 -7.031 5.593 78 1HB GLN 10 HB2 GLN 10 8.036 -7.288 8.005 79 2HB GLN 10 HB1 GLN 10 7.816 -8.981 7.563 80 1HG GLN 10 HG2 GLN 10 10.454 -7.577 7.150 81 2HG GLN 10 HG1 GLN 10 10.046 -8.321 8.695 82 1HE2 GLN 10 HE22 GLN 10 10.796 -10.698 5.440 83 2HE2 GLN 10 HE21 GLN 10 10.480 -9.047 5.220 84 H ASP 11 HN ASP 11 9.219 -8.004 3.600 85 HA ASP 11 HA ASP 11 8.095 -10.755 3.280 86 1HB ASP 11 HB2 ASP 11 7.402 -9.123 1.559 87 2HB ASP 11 HB1 ASP 11 9.095 -8.801 1.183 88 H ASN 12 HN ASN 12 9.511 -12.467 2.990 89 HA ASN 12 HA ASN 12 12.312 -12.053 3.609 90 1HB ASN 12 HB2 ASN 12 10.779 -14.160 3.999 91 2HB ASN 12 HB1 ASN 12 11.290 -14.589 2.367 92 1HD2 ASN 12 HD22 ASN 12 13.833 -15.180 5.418 93 2HD2 ASN 12 HD21 ASN 12 12.197 -14.788 5.643 94 H ASP 13 HN ASP 13 10.474 -12.468 0.632 95 HA ASP 13 HA ASP 13 12.615 -13.076 -1.111 96 1HB ASP 13 HB2 ASP 13 9.906 -12.531 -1.405 97 2HB ASP 13 HB1 ASP 13 10.682 -11.187 -2.242 98 H ASN 14 HN ASN 14 14.487 -11.925 -0.978 99 HA ASN 14 HA ASN 14 14.703 -9.193 -0.218 100 1HB ASN 14 HB2 ASN 14 16.483 -11.247 -0.793 101 2HB ASN 14 HB1 ASN 14 16.774 -10.086 -2.090 102 1HD2 ASN 14 HD22 ASN 14 17.775 -9.118 1.753 103 2HD2 ASN 14 HD21 ASN 14 16.877 -10.523 1.433 104 H ALA 15 HN ALA 15 13.499 -10.606 -3.064 105 HA ALA 15 HA ALA 15 14.330 -8.839 -5.075 106 1HB ALA 15 HB1 ALA 15 11.884 -10.478 -4.607 107 2HB ALA 15 HB3 ALA 15 11.793 -9.231 -5.852 108 3HB ALA 15 HB2 ALA 15 13.007 -10.506 -5.967 109 H ARG 16 HN ARG 16 12.038 -8.384 -2.478 110 HA ARG 16 HA ARG 16 10.847 -5.959 -3.463 111 1HB ARG 16 HB2 ARG 16 11.210 -7.021 -0.648 112 2HB ARG 16 HB1 ARG 16 10.212 -5.627 -1.063 113 1HG ARG 16 HG2 ARG 16 9.808 -8.298 -2.404 114 2HG ARG 16 HG1 ARG 16 9.029 -7.917 -0.869 115 1HD ARG 16 HD2 ARG 16 8.635 -5.678 -2.554 116 2HD ARG 16 HD1 ARG 16 8.268 -7.101 -3.526 117 HE ARG 16 HE ARG 16 6.571 -6.018 -1.547 118 1HH1 ARG 16 HH21 ARG 16 7.960 -9.087 -2.378 119 2HH1 ARG 16 HH22 ARG 16 6.825 -9.983 -1.431 120 1HH2 ARG 16 HH11 ARG 16 5.089 -7.193 -0.350 121 2HH2 ARG 16 HH12 ARG 16 5.201 -8.920 -0.299 122 H TYR 17 HN TYR 17 13.575 -6.603 -1.255 123 HA TYR 17 HA TYR 17 14.228 -3.936 -0.609 124 1HB TYR 17 HB2 TYR 17 15.411 -6.473 -0.259 125 2HB TYR 17 HB1 TYR 17 16.628 -5.488 -1.072 126 HD1 TYR 17 HD2 TYR 17 16.815 -2.993 -0.145 127 HD2 TYR 17 HD1 TYR 17 15.272 -6.336 2.066 128 HE1 TYR 17 HE2 TYR 17 17.281 -1.802 1.979 129 HE2 TYR 17 HE1 TYR 17 15.739 -5.147 4.192 130 HH TYR 17 HH TYR 17 17.499 -3.210 4.864 131 H VAL 18 HN VAL 18 15.251 -5.890 -3.418 132 HA VAL 18 HA VAL 18 16.975 -3.999 -4.618 133 HB VAL 18 HB VAL 18 15.125 -6.075 -5.815 134 1HG1 VAL 18 HG12 VAL 18 16.663 -3.919 -7.120 135 2HG1 VAL 18 HG11 VAL 18 16.977 -5.530 -7.764 136 3HG1 VAL 18 HG13 VAL 18 15.333 -4.892 -7.748 137 1HG2 VAL 18 HG21 VAL 18 18.100 -5.876 -5.284 138 2HG2 VAL 18 HG23 VAL 18 16.961 -7.043 -4.614 139 3HG2 VAL 18 HG22 VAL 18 17.399 -7.118 -6.320 140 H VAL 19 HN VAL 19 13.517 -4.525 -5.425 141 HA VAL 19 HA VAL 19 13.185 -2.225 -7.018 142 HB VAL 19 HB VAL 19 11.174 -3.471 -5.113 143 1HG1 VAL 19 HG11 VAL 19 11.001 -1.393 -7.270 144 2HG1 VAL 19 HG13 VAL 19 9.648 -2.503 -7.048 145 3HG1 VAL 19 HG12 VAL 19 10.165 -1.466 -5.718 146 1HG2 VAL 19 HG23 VAL 19 12.402 -4.408 -7.546 147 2HG2 VAL 19 HG22 VAL 19 11.189 -5.210 -6.547 148 3HG2 VAL 19 HG21 VAL 19 10.687 -4.117 -7.836 149 H GLU 20 HN GLU 20 13.569 -2.524 -3.582 150 HA GLU 20 HA GLU 20 12.421 0.004 -2.820 151 1HB GLU 20 HB2 GLU 20 13.386 -2.130 -1.436 152 2HB GLU 20 HB1 GLU 20 14.733 -1.003 -1.262 153 1HG GLU 20 HG2 GLU 20 13.514 -0.174 0.473 154 2HG GLU 20 HG1 GLU 20 12.605 0.648 -0.796 155 H ALA 21 HN ALA 21 15.832 -0.980 -3.319 156 HA ALA 21 HA ALA 21 16.997 1.569 -3.024 157 1HB ALA 21 HB2 ALA 21 18.245 -0.598 -3.291 158 2HB ALA 21 HB1 ALA 21 17.863 -0.551 -5.012 159 3HB ALA 21 HB3 ALA 21 18.874 0.706 -4.298 160 H ILE 22 HN ILE 22 15.363 0.131 -5.814 161 HA ILE 22 HA ILE 22 16.081 2.163 -7.707 162 HB ILE 22 HB ILE 22 13.520 0.539 -7.645 163 1HG1 ILE 22 HG12 ILE 22 16.168 -0.153 -8.955 164 2HG1 ILE 22 HG11 ILE 22 15.626 -0.835 -7.421 165 1HG2 ILE 22 HG22 ILE 22 14.044 2.580 -9.276 166 2HG2 ILE 22 HG21 ILE 22 14.987 1.353 -10.123 167 3HG2 ILE 22 HG23 ILE 22 13.257 1.119 -9.871 168 1HD1 ILE 22 HD11 ILE 22 13.430 -1.184 -9.083 169 2HD1 ILE 22 HD13 ILE 22 14.799 -1.507 -10.147 170 3HD1 ILE 22 HD12 ILE 22 14.603 -2.430 -8.656 171 H ILE 23 HN ILE 23 13.265 1.806 -5.543 172 HA ILE 23 HA ILE 23 11.809 4.075 -6.325 173 HB ILE 23 HB ILE 23 12.229 2.932 -3.545 174 1HG1 ILE 23 HG12 ILE 23 9.902 2.643 -5.468 175 2HG1 ILE 23 HG11 ILE 23 11.204 1.461 -5.329 176 1HG2 ILE 23 HG22 ILE 23 11.430 5.314 -3.549 177 2HG2 ILE 23 HG21 ILE 23 10.046 4.800 -4.514 178 3HG2 ILE 23 HG23 ILE 23 10.259 4.180 -2.877 179 1HD1 ILE 23 HD13 ILE 23 10.682 1.192 -2.919 180 2HD1 ILE 23 HD12 ILE 23 9.349 2.333 -3.093 181 3HD1 ILE 23 HD11 ILE 23 9.300 0.784 -3.935 182 H GLN 24 HN GLN 24 14.468 3.896 -3.936 183 HA GLN 24 HA GLN 24 14.490 6.709 -3.370 184 1HB GLN 24 HB2 GLN 24 16.014 4.415 -2.613 185 2HB GLN 24 HB1 GLN 24 17.150 5.625 -3.211 186 1HG GLN 24 HG2 GLN 24 15.296 7.054 -1.649 187 2HG GLN 24 HG1 GLN 24 15.662 5.597 -0.725 188 1HE2 GLN 24 HE22 GLN 24 18.294 8.060 0.160 189 2HE2 GLN 24 HE21 GLN 24 16.618 7.919 0.389 190 H ASP 25 HN ASP 25 15.889 4.758 -5.944 191 HA ASP 25 HA ASP 25 17.784 6.531 -7.011 192 1HB ASP 25 HB2 ASP 25 16.696 4.176 -7.863 193 2HB ASP 25 HB1 ASP 25 15.962 5.306 -9.002 194 H ASN 26 HN ASN 26 14.273 6.649 -7.083 195 HA ASN 26 HA ASN 26 14.186 8.919 -8.924 196 1HB ASN 26 HB2 ASN 26 12.033 7.822 -7.090 197 2HB ASN 26 HB1 ASN 26 11.789 8.925 -8.443 198 1HD2 ASN 26 HD22 ASN 26 12.324 4.940 -9.151 199 2HD2 ASN 26 HD21 ASN 26 12.528 5.569 -7.588 200 HA PRO 27 HA PRO 27 14.781 11.734 -5.600 201 1HB PRO 27 HB2 PRO 27 14.258 14.015 -7.261 202 2HB PRO 27 HB1 PRO 27 15.829 13.385 -6.750 203 1HG PRO 27 HG2 PRO 27 14.639 13.249 -9.371 204 2HG PRO 27 HG1 PRO 27 16.221 12.644 -8.861 205 1HD PRO 27 HD2 PRO 27 13.872 11.111 -9.495 206 2HD PRO 27 HD1 PRO 27 15.452 10.510 -8.960 207 H HIS 28 HN HIS 28 12.194 10.591 -5.741 208 HA HIS 28 HA HIS 28 10.574 12.864 -4.782 209 1HB HIS 28 HB2 HIS 28 10.242 12.341 -7.339 210 2HB HIS 28 HB1 HIS 28 9.316 10.969 -6.736 211 HD1 HIS 28 HD1 HIS 28 8.423 13.935 -8.069 212 HD2 HIS 28 HD2 HIS 28 7.753 12.441 -4.234 213 HE1 HIS 28 HE1 HIS 28 6.439 15.207 -7.140 214 H ALA 29 HN ALA 29 10.409 9.384 -5.614 215 HA ALA 29 HA ALA 29 8.536 8.723 -3.550 216 1HB ALA 29 HB2 ALA 29 9.460 7.350 -5.635 217 2HB ALA 29 HB1 ALA 29 10.590 6.731 -4.431 218 3HB ALA 29 HB3 ALA 29 8.854 6.520 -4.202 219 H VAL 30 HN VAL 30 8.871 8.142 -1.400 220 HA VAL 30 HA VAL 30 11.620 8.624 -0.368 221 HB VAL 30 HB VAL 30 9.708 9.928 0.599 222 1HG1 VAL 30 HG13 VAL 30 8.497 7.363 0.614 223 2HG1 VAL 30 HG12 VAL 30 8.697 7.836 2.302 224 3HG1 VAL 30 HG11 VAL 30 7.807 8.880 1.193 225 1HG2 VAL 30 HG22 VAL 30 11.873 9.068 1.847 226 2HG2 VAL 30 HG21 VAL 30 10.578 9.841 2.762 227 3HG2 VAL 30 HG23 VAL 30 10.717 8.083 2.744 228 H VAL 31 HN VAL 31 12.436 7.149 1.312 229 HA VAL 31 HA VAL 31 11.185 4.447 1.289 230 HB VAL 31 HB VAL 31 14.167 4.685 1.062 231 1HG1 VAL 31 HG13 VAL 31 12.826 2.541 1.562 232 2HG1 VAL 31 HG12 VAL 31 12.289 2.632 -0.116 233 3HG1 VAL 31 HG11 VAL 31 14.005 2.459 0.253 234 1HG2 VAL 31 HG22 VAL 31 12.152 4.899 -1.192 235 2HG2 VAL 31 HG21 VAL 31 13.465 6.014 -0.813 236 3HG2 VAL 31 HG23 VAL 31 13.827 4.409 -1.450 237 H GLN 32 HN GLN 32 11.630 3.233 3.187 238 HA GLN 32 HA GLN 32 13.318 4.515 5.264 239 1HB GLN 32 HB2 GLN 32 10.557 4.863 5.259 240 2HB GLN 32 HB1 GLN 32 10.803 3.518 6.375 241 1HG GLN 32 HG2 GLN 32 11.790 4.840 7.928 242 2HG GLN 32 HG1 GLN 32 12.755 5.685 6.717 243 1HE2 GLN 32 HE22 GLN 32 10.600 8.395 7.720 244 2HE2 GLN 32 HE21 GLN 32 12.090 7.663 8.073 245 H HIS 33 HN HIS 33 13.880 2.204 3.785 246 HA HIS 33 HA HIS 33 13.051 -0.275 4.689 247 1HB HIS 33 HB2 HIS 33 15.249 -1.123 4.127 248 2HB HIS 33 HB1 HIS 33 14.849 0.153 2.979 249 HD1 HIS 33 HD1 HIS 33 17.334 -0.811 5.505 250 HD2 HIS 33 HD2 HIS 33 16.154 2.719 3.629 251 HE1 HIS 33 HE1 HIS 33 19.180 0.872 5.920 252 H HIS 34 HN HIS 34 13.352 -1.511 6.542 253 HA HIS 34 HA HIS 34 14.560 -0.065 8.851 254 1HB HIS 34 HB2 HIS 34 12.187 -1.657 8.519 255 2HB HIS 34 HB1 HIS 34 13.235 -2.421 9.716 256 HD1 HIS 34 HD1 HIS 34 11.432 -1.636 11.537 257 HD2 HIS 34 HD2 HIS 34 13.490 1.443 9.622 258 HE1 HIS 34 HE1 HIS 34 11.054 0.451 12.923 259 HA PRO 35 HA PRO 35 17.660 -3.064 9.301 260 1HB PRO 35 HB2 PRO 35 17.262 -3.829 12.043 261 2HB PRO 35 HB1 PRO 35 18.419 -2.656 11.398 262 1HG PRO 35 HG2 PRO 35 16.031 -2.117 12.910 263 2HG PRO 35 HG1 PRO 35 17.180 -0.948 12.246 264 1HD PRO 35 HD2 PRO 35 14.512 -1.528 11.323 265 2HD PRO 35 HD1 PRO 35 15.659 -0.340 10.675 266 H ALA 36 HN ALA 36 14.514 -4.107 10.487 267 HA ALA 36 HA ALA 36 15.255 -6.908 9.736 268 1HB ALA 36 HB2 ALA 36 14.640 -6.147 12.265 269 2HB ALA 36 HB1 ALA 36 13.025 -6.499 11.652 270 3HB ALA 36 HB3 ALA 36 14.270 -7.748 11.625 271 H MET 37 HN MET 37 12.843 -4.351 9.664 272 HA MET 37 HA MET 37 11.239 -6.024 7.767 273 1HB MET 37 HB2 MET 37 10.370 -3.811 9.646 274 2HB MET 37 HB1 MET 37 9.329 -4.504 8.403 275 1HG MET 37 HG2 MET 37 8.808 -6.204 9.776 276 2HG MET 37 HG1 MET 37 10.511 -6.657 9.868 277 1HE MET 37 HE1 MET 37 9.075 -7.536 11.801 278 2HE MET 37 HE3 MET 37 10.489 -7.299 12.836 279 3HE MET 37 HE2 MET 37 8.904 -6.734 13.359 280 H ILE 38 HN ILE 38 9.715 -4.080 6.589 281 HA ILE 38 HA ILE 38 11.611 -2.030 5.569 282 HB ILE 38 HB ILE 38 11.052 -2.576 3.246 283 1HG1 ILE 38 HG12 ILE 38 9.361 -4.746 4.528 284 2HG1 ILE 38 HG11 ILE 38 8.795 -3.421 3.514 285 1HG2 ILE 38 HG23 ILE 38 11.922 -4.995 4.861 286 2HG2 ILE 38 HG22 ILE 38 12.159 -4.799 3.124 287 3HG2 ILE 38 HG21 ILE 38 12.978 -3.719 4.253 288 1HD1 ILE 38 HD12 ILE 38 10.869 -5.215 2.343 289 2HD1 ILE 38 HD11 ILE 38 9.247 -5.877 2.527 290 3HD1 ILE 38 HD13 ILE 38 9.500 -4.420 1.569 291 H ARG 39 HN ARG 39 10.556 -0.136 5.901 292 HA ARG 39 HA ARG 39 7.581 -0.140 5.632 293 1HB ARG 39 HB2 ARG 39 9.007 2.110 6.978 294 2HB ARG 39 HB1 ARG 39 7.438 1.393 7.346 295 1HG ARG 39 HG2 ARG 39 8.787 -0.705 8.043 296 2HG ARG 39 HG1 ARG 39 10.183 0.374 8.069 297 1HD ARG 39 HD2 ARG 39 9.562 1.111 10.102 298 2HD ARG 39 HD1 ARG 39 8.055 1.709 9.410 299 HE ARG 39 HE ARG 39 7.609 -1.011 9.771 300 1HH1 ARG 39 HH21 ARG 39 8.648 1.650 11.715 301 2HH1 ARG 39 HH22 ARG 39 7.968 1.015 13.175 302 1HH2 ARG 39 HH11 ARG 39 6.719 -1.846 11.669 303 2HH2 ARG 39 HH12 ARG 39 6.877 -0.961 13.150 304 H ILE 40 HN ILE 40 6.603 1.384 4.339 305 HA ILE 40 HA ILE 40 8.243 3.451 3.022 306 HB ILE 40 HB ILE 40 6.540 1.510 1.433 307 1HG1 ILE 40 HG12 ILE 40 8.565 0.434 2.449 308 2HG1 ILE 40 HG11 ILE 40 8.629 0.500 0.687 309 1HG2 ILE 40 HG23 ILE 40 8.361 3.820 0.757 310 2HG2 ILE 40 HG22 ILE 40 7.994 2.567 -0.428 311 3HG2 ILE 40 HG21 ILE 40 6.694 3.551 0.246 312 1HD1 ILE 40 HD12 ILE 40 9.747 2.874 2.037 313 2HD1 ILE 40 HD11 ILE 40 10.634 1.379 2.334 314 3HD1 ILE 40 HD13 ILE 40 10.387 1.944 0.682 315 H GLU 41 HN GLU 41 6.924 5.179 2.147 316 HA GLU 41 HA GLU 41 4.027 5.059 2.916 317 1HB GLU 41 HB2 GLU 41 4.504 7.661 3.268 318 2HB GLU 41 HB1 GLU 41 4.760 6.501 4.571 319 1HG GLU 41 HG2 GLU 41 7.156 6.305 3.828 320 2HG GLU 41 HG1 GLU 41 6.856 7.621 2.691 321 H ALA 42 HN ALA 42 2.915 7.098 1.797 322 HA ALA 42 HA ALA 42 4.090 7.444 -0.925 323 1HB ALA 42 HB1 ALA 42 1.468 6.289 -0.157 324 2HB ALA 42 HB3 ALA 42 1.440 7.439 -1.494 325 3HB ALA 42 HB2 ALA 42 2.450 5.996 -1.592 326 H GLU 43 HN GLU 43 2.546 9.191 -2.095 327 HA GLU 43 HA GLU 43 1.833 11.325 -0.149 328 1HB GLU 43 HB2 GLU 43 3.541 11.850 -2.595 329 2HB GLU 43 HB1 GLU 43 3.141 12.982 -1.302 330 1HG GLU 43 HG2 GLU 43 4.288 11.274 0.273 331 2HG GLU 43 HG1 GLU 43 4.980 10.594 -1.200 332 H LYS 44 HN LYS 44 -0.178 10.018 -1.234 333 HA LYS 44 HA LYS 44 -1.278 11.923 -3.195 334 1HB LYS 44 HB2 LYS 44 -0.461 9.157 -3.865 335 2HB LYS 44 HB1 LYS 44 -2.070 9.623 -4.416 336 1HG LYS 44 HG2 LYS 44 0.462 11.213 -4.929 337 2HG LYS 44 HG1 LYS 44 -0.315 10.149 -6.102 338 1HD LYS 44 HD2 LYS 44 -1.744 11.786 -6.680 339 2HD LYS 44 HD1 LYS 44 -2.293 11.920 -5.009 340 1HE LYS 44 HE2 LYS 44 -1.415 14.074 -5.678 341 2HE LYS 44 HE1 LYS 44 -0.279 13.354 -4.537 342 1HZ LYS 44 HZ1 LYS 44 0.391 12.486 -7.109 343 2HZ LYS 44 HZ3 LYS 44 0.192 14.169 -7.174 344 3HZ LYS 44 HZ2 LYS 44 1.289 13.486 -6.071 345 H ARG 45 HN ARG 45 -3.586 10.546 -3.873 346 HA ARG 45 HA ARG 45 -4.795 9.679 -1.297 347 1HB ARG 45 HB2 ARG 45 -6.652 11.209 -1.551 348 2HB ARG 45 HB1 ARG 45 -5.162 12.154 -1.642 349 1HG ARG 45 HG2 ARG 45 -5.275 11.836 -4.170 350 2HG ARG 45 HG1 ARG 45 -6.916 11.237 -3.925 351 1HD ARG 45 HD2 ARG 45 -7.722 13.323 -3.631 352 2HD ARG 45 HD1 ARG 45 -6.464 13.719 -2.465 353 HE ARG 45 HE ARG 45 -6.563 14.664 -5.130 354 1HH1 ARG 45 HH21 ARG 45 -4.313 13.107 -3.003 355 2HH1 ARG 45 HH22 ARG 45 -2.936 13.545 -3.951 356 1HH2 ARG 45 HH11 ARG 45 -4.765 15.248 -6.343 357 2HH2 ARG 45 HH12 ARG 45 -3.186 14.758 -5.826 358 H LEU 46 HN LEU 46 -7.384 9.323 -2.056 359 HA LEU 46 HA LEU 46 -7.517 8.080 -4.699 360 1HB LEU 46 HB2 LEU 46 -7.327 6.468 -2.174 361 2HB LEU 46 HB1 LEU 46 -8.249 5.859 -3.548 362 HG LEU 46 HG LEU 46 -5.335 6.645 -3.543 363 1HD1 LEU 46 HD13 LEU 46 -6.752 4.175 -3.062 364 2HD1 LEU 46 HD12 LEU 46 -5.778 4.032 -4.525 365 3HD1 LEU 46 HD11 LEU 46 -5.017 4.480 -2.999 366 1HD2 LEU 46 HD23 LEU 46 -7.329 6.302 -5.676 367 2HD2 LEU 46 HD22 LEU 46 -5.781 7.147 -5.707 368 3HD2 LEU 46 HD21 LEU 46 -5.835 5.396 -5.917 369 H GLU 47 HN GLU 47 -9.689 7.338 -5.217 370 HA GLU 47 HA GLU 47 -11.853 7.715 -3.300 371 1HB GLU 47 HB2 GLU 47 -11.566 10.045 -3.858 372 2HB GLU 47 HB1 GLU 47 -11.464 9.673 -5.580 373 1HG GLU 47 HG2 GLU 47 -13.885 8.531 -4.635 374 2HG GLU 47 HG1 GLU 47 -13.809 10.173 -3.996 375 H ILE 48 HN ILE 48 -13.665 6.548 -3.969 376 HA ILE 48 HA ILE 48 -13.955 5.792 -6.800 377 HB ILE 48 HB ILE 48 -14.197 3.316 -5.519 378 1HG1 ILE 48 HG12 ILE 48 -11.547 4.583 -4.762 379 2HG1 ILE 48 HG11 ILE 48 -12.875 4.355 -3.625 380 1HG2 ILE 48 HG23 ILE 48 -13.225 4.167 -7.809 381 2HG2 ILE 48 HG22 ILE 48 -11.689 4.112 -6.945 382 3HG2 ILE 48 HG21 ILE 48 -12.656 2.647 -7.118 383 1HD1 ILE 48 HD11 ILE 48 -12.693 1.865 -4.760 384 2HD1 ILE 48 HD13 ILE 48 -11.005 2.374 -4.745 385 3HD1 ILE 48 HD12 ILE 48 -11.925 2.327 -3.241 386 H ARG 49 HN ARG 49 -16.093 5.256 -7.290 387 HA ARG 49 HA ARG 49 -17.979 5.485 -5.007 388 1HB ARG 49 HB2 ARG 49 -19.645 5.636 -7.079 389 2HB ARG 49 HB1 ARG 49 -18.744 7.045 -6.521 390 1HG ARG 49 HG2 ARG 49 -16.992 6.594 -8.198 391 2HG ARG 49 HG1 ARG 49 -17.891 5.181 -8.750 392 1HD ARG 49 HD2 ARG 49 -19.342 7.780 -8.647 393 2HD ARG 49 HD1 ARG 49 -18.153 7.579 -9.929 394 HE ARG 49 HE ARG 49 -20.773 6.458 -9.893 395 1HH1 ARG 49 HH21 ARG 49 -17.504 5.524 -10.513 396 2HH1 ARG 49 HH22 ARG 49 -17.950 4.087 -11.368 397 1HH2 ARG 49 HH11 ARG 49 -21.358 4.609 -11.013 398 2HH2 ARG 49 HH12 ARG 49 -20.129 3.572 -11.656 399 H ARG 50 HN ARG 50 -19.144 4.041 -7.936 400 HA ARG 50 HA ARG 50 -19.968 1.657 -6.538 401 1HB ARG 50 HB2 ARG 50 -21.074 2.698 -8.601 402 2HB ARG 50 HB1 ARG 50 -19.775 1.962 -9.542 403 1HG ARG 50 HG2 ARG 50 -20.572 -0.163 -9.237 404 2HG ARG 50 HG1 ARG 50 -21.154 0.181 -7.607 405 1HD ARG 50 HD2 ARG 50 -22.622 1.741 -9.560 406 2HD ARG 50 HD1 ARG 50 -22.704 0.022 -9.948 407 HE ARG 50 HE ARG 50 -23.222 0.103 -7.230 408 1HH1 ARG 50 HH21 ARG 50 -24.475 1.650 -10.055 409 2HH1 ARG 50 HH22 ARG 50 -26.074 1.814 -9.411 410 1HH2 ARG 50 HH11 ARG 50 -25.305 0.313 -6.385 411 2HH2 ARG 50 HH12 ARG 50 -26.543 1.060 -7.339 412 H GLU 51 HN GLU 51 -16.972 2.598 -7.711 413 HA GLU 51 HA GLU 51 -15.916 0.262 -8.898 414 1HB GLU 51 HB2 GLU 51 -14.463 2.124 -7.002 415 2HB GLU 51 HB1 GLU 51 -13.735 1.101 -8.240 416 1HG GLU 51 HG2 GLU 51 -15.678 2.591 -9.601 417 2HG GLU 51 HG1 GLU 51 -14.911 3.744 -8.507 418 H THR 52 HN THR 52 -17.012 0.779 -5.680 419 HA THR 52 HA THR 52 -15.316 -1.005 -4.263 420 HB THR 52 HB THR 52 -18.194 -1.027 -3.543 421 HG1 THR 52 HG1 THR 52 -18.171 1.130 -2.966 422 1HG2 THR 52 HG23 THR 52 -15.526 -0.754 -2.223 423 2HG2 THR 52 HG22 THR 52 -16.937 -0.102 -1.390 424 3HG2 THR 52 HG21 THR 52 -16.875 -1.813 -1.812 425 H VAL 53 HN VAL 53 -18.282 -1.641 -6.137 426 HA VAL 53 HA VAL 53 -18.630 -4.357 -5.560 427 HB VAL 53 HB VAL 53 -18.806 -3.064 -8.303 428 1HG1 VAL 53 HG12 VAL 53 -18.939 -5.729 -7.717 429 2HG1 VAL 53 HG11 VAL 53 -20.627 -5.257 -7.519 430 3HG1 VAL 53 HG13 VAL 53 -19.806 -4.969 -9.052 431 1HG2 VAL 53 HG21 VAL 53 -20.151 -2.230 -6.119 432 2HG2 VAL 53 HG23 VAL 53 -20.876 -2.243 -7.726 433 3HG2 VAL 53 HG22 VAL 53 -21.200 -3.563 -6.602 434 H GLU 54 HN GLU 54 -16.183 -2.776 -7.530 435 HA GLU 54 HA GLU 54 -15.077 -5.204 -8.650 436 1HB GLU 54 HB2 GLU 54 -14.455 -3.214 -9.782 437 2HB GLU 54 HB1 GLU 54 -14.022 -2.395 -8.284 438 1HG GLU 54 HG2 GLU 54 -11.905 -3.129 -8.444 439 2HG GLU 54 HG1 GLU 54 -12.457 -4.801 -8.540 440 H GLU 55 HN GLU 55 -14.305 -3.189 -5.812 441 HA GLU 55 HA GLU 55 -12.072 -4.592 -4.847 442 1HB GLU 55 HB2 GLU 55 -12.843 -2.618 -3.672 443 2HB GLU 55 HB1 GLU 55 -14.391 -3.383 -3.308 444 1HG GLU 55 HG2 GLU 55 -12.148 -5.015 -2.416 445 2HG GLU 55 HG1 GLU 55 -12.122 -3.411 -1.681 446 H ASN 56 HN ASN 56 -15.535 -5.361 -4.419 447 HA ASN 56 HA ASN 56 -15.245 -7.674 -2.814 448 1HB ASN 56 HB2 ASN 56 -17.406 -6.494 -3.732 449 2HB ASN 56 HB1 ASN 56 -17.223 -7.617 -5.081 450 1HD2 ASN 56 HD22 ASN 56 -17.523 -10.502 -2.767 451 2HD2 ASN 56 HD21 ASN 56 -16.406 -9.968 -3.926 452 H LEU 57 HN LEU 57 -15.081 -7.283 -6.349 453 HA LEU 57 HA LEU 57 -14.700 -9.970 -7.112 454 1HB LEU 57 HB2 LEU 57 -14.854 -7.942 -8.629 455 2HB LEU 57 HB1 LEU 57 -13.187 -7.575 -8.215 456 HG LEU 57 HG LEU 57 -13.178 -8.762 -10.293 457 1HD1 LEU 57 HD13 LEU 57 -11.523 -9.443 -8.437 458 2HD1 LEU 57 HD12 LEU 57 -12.484 -10.917 -8.317 459 3HD1 LEU 57 HD11 LEU 57 -11.680 -10.510 -9.832 460 1HD2 LEU 57 HD21 LEU 57 -15.476 -9.976 -9.328 461 2HD2 LEU 57 HD23 LEU 57 -14.653 -10.392 -10.832 462 3HD2 LEU 57 HD22 LEU 57 -14.305 -11.294 -9.357 463 H GLY 58 HN GLY 58 -12.035 -7.654 -6.826 464 1HA GLY 58 HA2 GLY 58 -9.874 -9.333 -6.616 465 2HA GLY 58 HA1 GLY 58 -9.975 -7.851 -5.664 466 H ARG 59 HN ARG 59 -12.369 -8.881 -4.182 467 HA ARG 59 HA ARG 59 -11.108 -9.939 -1.900 468 1HB ARG 59 HB2 ARG 59 -13.617 -9.127 -2.403 469 2HB ARG 59 HB1 ARG 59 -13.876 -10.870 -2.493 470 1HG ARG 59 HG2 ARG 59 -13.855 -10.993 -0.251 471 2HG ARG 59 HG1 ARG 59 -12.214 -10.349 -0.232 472 1HD ARG 59 HD2 ARG 59 -13.951 -8.173 -0.772 473 2HD ARG 59 HD1 ARG 59 -14.653 -9.059 0.579 474 HE ARG 59 HE ARG 59 -12.414 -7.341 0.758 475 1HH1 ARG 59 HH21 ARG 59 -13.301 -10.570 1.654 476 2HH1 ARG 59 HH22 ARG 59 -12.023 -10.725 2.806 477 1HH2 ARG 59 HH11 ARG 59 -10.770 -7.544 2.269 478 2HH2 ARG 59 HH12 ARG 59 -10.602 -9.018 3.163 479 H ALA 60 HN ALA 60 -13.065 -11.784 -4.277 480 HA ALA 60 HA ALA 60 -12.601 -14.368 -3.403 481 1HB ALA 60 HB2 ALA 60 -13.164 -13.123 -5.990 482 2HB ALA 60 HB1 ALA 60 -12.220 -14.605 -6.154 483 3HB ALA 60 HB3 ALA 60 -13.775 -14.637 -5.322 484 H TRP 61 HN TRP 61 -10.352 -12.200 -5.006 485 HA TRP 61 HA TRP 61 -8.255 -14.285 -5.075 486 1HB TRP 61 HB2 TRP 61 -8.627 -12.472 -6.897 487 2HB TRP 61 HB1 TRP 61 -7.868 -11.370 -5.749 488 HD1 TRP 61 HD1 TRP 61 -6.968 -15.035 -6.579 489 HE1 TRP 61 HE1 TRP 61 -4.480 -15.119 -7.249 490 HE3 TRP 61 HE3 TRP 61 -5.837 -10.059 -6.394 491 HZ2 TRP 61 HZ2 TRP 61 -2.299 -13.314 -7.652 492 HZ3 TRP 61 HZ3 TRP 61 -3.549 -9.269 -6.924 493 HH2 TRP 61 HH2 TRP 61 -1.780 -10.889 -7.553 494 H ASP 62 HN ASP 62 -9.061 -13.892 -2.530 495 HA ASP 62 HA ASP 62 -7.593 -11.832 -1.137 496 1HB ASP 62 HB2 ASP 62 -8.332 -13.024 0.899 497 2HB ASP 62 HB1 ASP 62 -9.677 -12.770 -0.213 498 H VAL 63 HN VAL 63 -5.523 -12.333 -2.110 499 HA VAL 63 HA VAL 63 -4.119 -14.807 -1.572 500 HB VAL 63 HB VAL 63 -2.873 -12.123 -2.165 501 1HG1 VAL 63 HG11 VAL 63 -2.093 -14.985 -2.805 502 2HG1 VAL 63 HG13 VAL 63 -1.203 -13.553 -3.325 503 3HG1 VAL 63 HG12 VAL 63 -1.324 -13.941 -1.609 504 1HG2 VAL 63 HG23 VAL 63 -4.730 -13.701 -3.761 505 2HG2 VAL 63 HG22 VAL 63 -4.071 -12.096 -4.080 506 3HG2 VAL 63 HG21 VAL 63 -3.170 -13.531 -4.567 507 H GLN 64 HN GLN 64 -5.166 -12.674 0.641 508 HA GLN 64 HA GLN 64 -3.170 -11.703 2.231 509 1HB GLN 64 HB2 GLN 64 -5.721 -13.130 2.903 510 2HB GLN 64 HB1 GLN 64 -4.611 -12.708 4.207 511 1HG GLN 64 HG2 GLN 64 -6.311 -10.929 3.781 512 2HG GLN 64 HG1 GLN 64 -4.658 -10.361 3.545 513 1HE2 GLN 64 HE22 GLN 64 -5.089 -9.725 0.092 514 2HE2 GLN 64 HE21 GLN 64 -4.017 -9.740 1.408 515 H GLU 65 HN GLU 65 -3.805 -15.103 1.603 516 HA GLU 65 HA GLU 65 -2.344 -16.262 3.742 517 1HB GLU 65 HB2 GLU 65 -3.170 -17.099 1.020 518 2HB GLU 65 HB1 GLU 65 -1.786 -17.963 1.691 519 1HG GLU 65 HG2 GLU 65 -3.045 -18.596 3.654 520 2HG GLU 65 HG1 GLU 65 -4.394 -17.564 3.179 521 H MET 66 HN MET 66 -1.185 -15.495 0.441 522 HA MET 66 HA MET 66 1.588 -15.948 1.079 523 1HB MET 66 HB2 MET 66 0.028 -15.166 -1.205 524 2HB MET 66 HB1 MET 66 1.397 -14.069 -1.037 525 1HG MET 66 HG2 MET 66 1.572 -17.097 -1.054 526 2HG MET 66 HG1 MET 66 1.994 -16.045 -2.405 527 1HE MET 66 HE2 MET 66 3.693 -14.624 -2.665 528 2HE MET 66 HE1 MET 66 5.260 -14.670 -1.860 529 3HE MET 66 HE3 MET 66 4.684 -16.077 -2.765 530 H LEU 67 HN LEU 67 -0.533 -13.508 1.992 531 HA LEU 67 HA LEU 67 1.308 -11.259 1.971 532 1HB LEU 67 HB2 LEU 67 -1.232 -11.133 1.957 533 2HB LEU 67 HB1 LEU 67 -1.179 -11.578 3.663 534 HG LEU 67 HG LEU 67 0.589 -9.590 3.760 535 1HD1 LEU 67 HD13 LEU 67 -1.142 -8.997 1.348 536 2HD1 LEU 67 HD12 LEU 67 -0.239 -7.761 2.223 537 3HD1 LEU 67 HD11 LEU 67 0.619 -9.069 1.408 538 1HD2 LEU 67 HD23 LEU 67 -2.411 -9.579 3.818 539 2HD2 LEU 67 HD22 LEU 67 -1.271 -9.388 5.149 540 3HD2 LEU 67 HD21 LEU 67 -1.545 -8.056 4.026 541 H VAL 68 HN VAL 68 1.586 -14.004 3.653 542 HA VAL 68 HA VAL 68 1.738 -13.603 6.359 543 HB VAL 68 HB VAL 68 3.936 -14.831 4.675 544 1HG1 VAL 68 HG13 VAL 68 3.272 -14.862 7.610 545 2HG1 VAL 68 HG12 VAL 68 4.096 -16.236 6.873 546 3HG1 VAL 68 HG11 VAL 68 4.839 -14.637 6.833 547 1HG2 VAL 68 HG23 VAL 68 1.212 -15.688 5.473 548 2HG2 VAL 68 HG22 VAL 68 2.195 -16.202 4.102 549 3HG2 VAL 68 HG21 VAL 68 2.480 -16.892 5.700 550 H ASP 69 HN ASP 69 3.688 -11.958 3.961 551 HA ASP 69 HA ASP 69 5.842 -11.064 5.581 552 1HB ASP 69 HB2 ASP 69 4.460 -9.406 3.461 553 2HB ASP 69 HB1 ASP 69 6.156 -9.351 3.934 554 H VAL 70 HN VAL 70 6.038 -9.291 7.003 555 HA VAL 70 HA VAL 70 3.943 -8.549 8.661 556 HB VAL 70 HB VAL 70 6.283 -6.851 7.774 557 1HG1 VAL 70 HG13 VAL 70 4.161 -6.392 9.853 558 2HG1 VAL 70 HG12 VAL 70 5.769 -5.687 10.019 559 3HG1 VAL 70 HG11 VAL 70 4.765 -5.274 8.630 560 1HG2 VAL 70 HG22 VAL 70 6.619 -9.079 9.006 561 2HG2 VAL 70 HG21 VAL 70 7.371 -7.655 9.725 562 3HG2 VAL 70 HG23 VAL 70 5.865 -8.289 10.392 563 H ILE 71 HN ILE 71 2.638 -6.537 8.767 564 HA ILE 71 HA ILE 71 2.193 -5.225 6.140 565 HB ILE 71 HB ILE 71 -0.344 -5.452 6.848 566 1HG1 ILE 71 HG12 ILE 71 0.433 -6.669 8.987 567 2HG1 ILE 71 HG11 ILE 71 -0.898 -7.390 8.086 568 1HG2 ILE 71 HG21 ILE 71 1.473 -7.131 5.258 569 2HG2 ILE 71 HG23 ILE 71 -0.025 -7.940 5.720 570 3HG2 ILE 71 HG22 ILE 71 -0.082 -6.426 4.816 571 1HD1 ILE 71 HD11 ILE 71 1.625 -8.349 7.051 572 2HD1 ILE 71 HD13 ILE 71 1.544 -8.619 8.791 573 3HD1 ILE 71 HD12 ILE 71 0.289 -9.271 7.739 574 H THR 72 HN THR 72 1.556 -3.065 6.347 575 HA THR 72 HA THR 72 0.595 -2.060 8.920 576 HB THR 72 HB THR 72 2.991 -0.595 7.946 577 HG1 THR 72 HG1 THR 72 4.200 -2.074 9.386 578 1HG2 THR 72 HG23 THR 72 1.866 -1.306 10.666 579 2HG2 THR 72 HG22 THR 72 3.273 -0.278 10.391 580 3HG2 THR 72 HG21 THR 72 1.681 0.238 9.834 581 H ILE 73 HN ILE 73 -0.412 -0.026 8.725 582 HA ILE 73 HA ILE 73 -0.472 1.137 5.983 583 HB ILE 73 HB ILE 73 -3.014 1.589 6.770 584 1HG1 ILE 73 HG12 ILE 73 -2.258 -1.101 7.958 585 2HG1 ILE 73 HG11 ILE 73 -2.729 0.329 8.878 586 1HG2 ILE 73 HG22 ILE 73 -1.664 -0.518 5.176 587 2HG2 ILE 73 HG21 ILE 73 -3.350 -0.830 5.591 588 3HG2 ILE 73 HG23 ILE 73 -2.917 0.627 4.697 589 1HD1 ILE 73 HD11 ILE 73 -4.522 -0.830 6.744 590 2HD1 ILE 73 HD13 ILE 73 -4.564 -1.423 8.404 591 3HD1 ILE 73 HD12 ILE 73 -4.951 0.263 8.060 592 H GLY 74 HN GLY 74 -1.703 3.368 6.144 593 1HA GLY 74 HA2 GLY 74 -1.838 4.828 8.557 594 2HA GLY 74 HA1 GLY 74 -0.201 5.025 7.931 595 H GLY 75 HN GLY 75 -3.556 5.121 6.695 596 1HA GLY 75 HA2 GLY 75 -2.841 7.669 5.321 597 2HA GLY 75 HA1 GLY 75 -3.656 6.387 4.421 598 H ASN 76 HN ASN 76 -5.857 6.020 4.786 599 HA ASN 76 HA ASN 76 -7.342 7.077 6.990 600 1HB ASN 76 HB2 ASN 76 -6.608 9.165 5.539 601 2HB ASN 76 HB1 ASN 76 -7.945 8.651 4.510 602 1HD2 ASN 76 HD22 ASN 76 -10.451 9.374 6.994 603 2HD2 ASN 76 HD21 ASN 76 -10.110 8.349 5.684 604 H VAL 77 HN VAL 77 -9.625 6.565 6.786 605 HA VAL 77 HA VAL 77 -10.409 5.152 4.287 606 HB VAL 77 HB VAL 77 -11.570 3.589 6.247 607 1HG1 VAL 77 HG13 VAL 77 -9.877 3.313 4.042 608 2HG1 VAL 77 HG12 VAL 77 -9.043 2.488 5.359 609 3HG1 VAL 77 HG11 VAL 77 -10.685 2.016 4.923 610 1HG2 VAL 77 HG23 VAL 77 -8.697 4.166 7.025 611 2HG2 VAL 77 HG22 VAL 77 -10.127 4.576 7.972 612 3HG2 VAL 77 HG21 VAL 77 -9.703 2.886 7.705 613 H ASP 78 HN ASP 78 -12.080 6.547 3.756 614 HA ASP 78 HA ASP 78 -14.061 7.073 5.912 615 1HB ASP 78 HB2 ASP 78 -14.521 8.510 3.446 616 2HB ASP 78 HB1 ASP 78 -14.386 9.115 5.086 617 H GLU 79 HN GLU 79 -15.621 5.698 5.843 618 HA GLU 79 HA GLU 79 -16.584 4.616 3.231 619 1HB GLU 79 HB2 GLU 79 -17.254 3.482 5.948 620 2HB GLU 79 HB1 GLU 79 -17.323 2.677 4.380 621 1HG GLU 79 HG2 GLU 79 -15.195 1.989 4.610 622 2HG GLU 79 HG1 GLU 79 -14.658 3.659 4.802 623 H ASP 80 HN ASP 80 -18.631 5.157 2.574 624 HA ASP 80 HA ASP 80 -20.288 6.724 4.491 625 1HB ASP 80 HB2 ASP 80 -21.540 7.272 2.257 626 2HB ASP 80 HB1 ASP 80 -19.991 8.049 2.584 627 H ASP 81 HN ASP 81 -21.986 5.520 1.764 628 HA ASP 81 HA ASP 81 -23.321 3.522 3.535 629 1HB ASP 81 HB2 ASP 81 -24.536 5.576 2.372 630 2HB ASP 81 HB1 ASP 81 -24.551 4.492 0.982 631 H ASP 82 HN ASP 82 -22.580 4.029 0.065 632 HA ASP 82 HA ASP 82 -22.000 1.099 -0.099 633 1HB ASP 82 HB2 ASP 82 -22.845 1.310 -2.512 634 2HB ASP 82 HB1 ASP 82 -24.076 1.367 -1.250 635 H ARG 83 HN ARG 83 -21.315 4.361 -1.217 636 HA ARG 83 HA ARG 83 -19.235 3.692 -3.078 637 1HB ARG 83 HB2 ARG 83 -20.254 6.109 -1.725 638 2HB ARG 83 HB1 ARG 83 -18.551 6.171 -2.149 639 1HG ARG 83 HG2 ARG 83 -19.193 6.708 -4.241 640 2HG ARG 83 HG1 ARG 83 -19.777 5.052 -4.394 641 1HD ARG 83 HD2 ARG 83 -21.987 5.657 -3.782 642 2HD ARG 83 HD1 ARG 83 -21.468 7.224 -3.154 643 HE ARG 83 HE ARG 83 -20.753 7.341 -5.817 644 1HH1 ARG 83 HH21 ARG 83 -23.623 6.565 -4.061 645 2HH1 ARG 83 HH22 ARG 83 -24.689 7.152 -5.292 646 1HH2 ARG 83 HH11 ARG 83 -22.133 8.110 -7.429 647 2HH2 ARG 83 HH12 ARG 83 -23.848 8.026 -7.196 648 H PHE 84 HN PHE 84 -16.908 4.775 -2.465 649 HA PHE 84 HA PHE 84 -16.094 4.280 0.298 650 1HB PHE 84 HB2 PHE 84 -16.231 1.969 -0.682 651 2HB PHE 84 HB1 PHE 84 -15.002 2.449 -1.852 652 HD1 PHE 84 HD1 PHE 84 -15.472 3.006 1.834 653 HD2 PHE 84 HD2 PHE 84 -12.911 1.587 -1.309 654 HE1 PHE 84 HE1 PHE 84 -13.696 2.525 3.498 655 HE2 PHE 84 HE2 PHE 84 -11.136 1.105 0.355 656 HZ PHE 84 HZ PHE 84 -11.528 1.575 2.757 657 H VAL 85 HN VAL 85 -14.380 5.615 0.719 658 HA VAL 85 HA VAL 85 -12.646 6.388 -1.586 659 HB VAL 85 HB VAL 85 -14.452 8.154 -0.768 660 1HG1 VAL 85 HG11 VAL 85 -13.538 7.846 1.647 661 2HG1 VAL 85 HG13 VAL 85 -12.167 8.810 1.097 662 3HG1 VAL 85 HG12 VAL 85 -13.791 9.496 1.078 663 1HG2 VAL 85 HG21 VAL 85 -11.603 8.424 -1.585 664 2HG2 VAL 85 HG23 VAL 85 -13.058 9.015 -2.383 665 3HG2 VAL 85 HG22 VAL 85 -12.391 9.886 -1.002 666 H LEU 86 HN LEU 86 -10.521 7.110 -0.938 667 HA LEU 86 HA LEU 86 -9.677 7.009 1.787 668 1HB LEU 86 HB2 LEU 86 -8.025 5.028 1.042 669 2HB LEU 86 HB1 LEU 86 -9.565 4.731 1.814 670 HG LEU 86 HG LEU 86 -10.620 4.329 -0.327 671 1HD1 LEU 86 HD11 LEU 86 -9.130 6.045 -1.507 672 2HD1 LEU 86 HD13 LEU 86 -7.922 4.767 -1.615 673 3HD1 LEU 86 HD12 LEU 86 -9.484 4.574 -2.411 674 1HD2 LEU 86 HD21 LEU 86 -9.155 2.546 0.835 675 2HD2 LEU 86 HD23 LEU 86 -9.557 2.269 -0.860 676 3HD2 LEU 86 HD22 LEU 86 -7.965 2.888 -0.421 677 H GLU 87 HN GLU 87 -6.945 6.237 0.921 678 HA GLU 87 HA GLU 87 -6.301 8.608 -0.746 679 1HB GLU 87 HB2 GLU 87 -5.433 7.890 1.906 680 2HB GLU 87 HB1 GLU 87 -4.051 7.931 0.814 681 1HG GLU 87 HG2 GLU 87 -4.259 10.182 0.412 682 2HG GLU 87 HG1 GLU 87 -6.017 10.148 0.557 683 H TRP 88 HN TRP 88 -3.672 8.169 -1.258 684 HA TRP 88 HA TRP 88 -3.797 5.905 -3.082 685 1HB TRP 88 HB2 TRP 88 -2.460 8.280 -3.160 686 2HB TRP 88 HB1 TRP 88 -1.176 7.186 -2.645 687 HD1 TRP 88 HD1 TRP 88 -4.025 6.011 -4.900 688 HE1 TRP 88 HE1 TRP 88 -3.057 5.382 -7.206 689 HE3 TRP 88 HE3 TRP 88 0.789 7.625 -4.313 690 HZ2 TRP 88 HZ2 TRP 88 -0.572 5.540 -8.615 691 HZ3 TRP 88 HZ3 TRP 88 2.432 7.371 -6.151 692 HH2 TRP 88 HH2 TRP 88 1.758 6.331 -8.299 693 H LYS 89 HN LYS 89 -3.343 3.865 -2.457 694 HA LYS 89 HA LYS 89 -1.208 3.456 -0.410 695 1HB LYS 89 HB2 LYS 89 -3.521 3.225 0.583 696 2HB LYS 89 HB1 LYS 89 -3.794 1.881 -0.526 697 1HG LYS 89 HG2 LYS 89 -1.263 1.498 0.767 698 2HG LYS 89 HG1 LYS 89 -2.485 1.815 1.999 699 1HD LYS 89 HD2 LYS 89 -3.545 0.043 -0.027 700 2HD LYS 89 HD1 LYS 89 -2.048 -0.612 0.637 701 1HE LYS 89 HE2 LYS 89 -2.907 -0.765 2.790 702 2HE LYS 89 HE1 LYS 89 -4.086 0.518 2.521 703 1HZ LYS 89 HZ3 LYS 89 -4.532 -1.659 0.755 704 2HZ LYS 89 HZ2 LYS 89 -4.526 -2.194 2.368 705 3HZ LYS 89 HZ1 LYS 89 -5.588 -0.960 1.882 706 H ASN 90 HN ASN 90 -3.319 1.731 -2.736 707 HA ASN 90 HA ASN 90 -1.107 -0.174 -3.257 708 1HB ASN 90 HB2 ASN 90 -3.561 -0.872 -2.917 709 2HB ASN 90 HB1 ASN 90 -3.849 -0.209 -4.527 710 1HD2 ASN 90 HD22 ASN 90 -3.073 -3.688 -5.279 711 2HD2 ASN 90 HD21 ASN 90 -4.372 -2.732 -4.749 No H/Q in entry = 711 Start of MODEL 4 1 1H MET 1 HT2 MET 1 -1.805 21.857 2.440 2 2H MET 1 HT1 MET 1 -3.171 22.287 3.354 3 3H MET 1 HT3 MET 1 -1.737 23.180 3.505 4 HA MET 1 HA MET 1 -0.992 21.849 5.091 5 1HB MET 1 HB2 MET 1 -3.772 20.857 4.631 6 2HB MET 1 HB1 MET 1 -2.721 19.887 5.663 7 1HG MET 1 HG2 MET 1 -2.370 22.619 6.403 8 2HG MET 1 HG1 MET 1 -4.104 22.304 6.322 9 1HE MET 1 HE1 MET 1 -0.869 21.945 7.784 10 2HE MET 1 HE3 MET 1 -0.995 20.949 9.240 11 3HE MET 1 HE2 MET 1 -0.794 20.188 7.664 12 H SER 2 HN SER 2 0.298 19.984 5.350 13 HA SER 2 HA SER 2 0.896 18.521 2.908 14 1HB SER 2 HB2 SER 2 2.743 18.958 4.365 15 2HB SER 2 HB1 SER 2 1.886 18.306 5.759 16 HG SER 2 HG SER 2 1.983 16.263 4.782 17 H SER 3 HN SER 3 0.216 16.469 2.351 18 HA SER 3 HA SER 3 -1.351 14.947 4.387 19 1HB SER 3 HB2 SER 3 -2.142 15.233 1.479 20 2HB SER 3 HB1 SER 3 -3.044 14.408 2.747 21 HG SER 3 HG SER 3 -3.079 16.508 3.823 22 H LEU 4 HN LEU 4 0.445 13.508 4.650 23 HA LEU 4 HA LEU 4 0.950 11.791 2.260 24 1HB LEU 4 HB2 LEU 4 3.165 11.299 3.601 25 2HB LEU 4 HB1 LEU 4 3.052 12.739 2.592 26 HG LEU 4 HG LEU 4 2.244 13.978 4.663 27 1HD1 LEU 4 HD11 LEU 4 3.068 11.334 5.867 28 2HD1 LEU 4 HD13 LEU 4 3.071 12.822 6.814 29 3HD1 LEU 4 HD12 LEU 4 1.567 12.226 6.113 30 1HD2 LEU 4 HD22 LEU 4 4.827 13.337 3.763 31 2HD2 LEU 4 HD21 LEU 4 4.384 14.675 4.823 32 3HD2 LEU 4 HD23 LEU 4 4.891 13.134 5.513 33 H VAL 5 HN VAL 5 1.463 9.508 2.841 34 HA VAL 5 HA VAL 5 0.141 8.711 5.394 35 HB VAL 5 HB VAL 5 -0.934 6.937 4.238 36 1HG1 VAL 5 HG11 VAL 5 -1.101 9.642 3.193 37 2HG1 VAL 5 HG13 VAL 5 -1.545 8.447 1.976 38 3HG1 VAL 5 HG12 VAL 5 -2.396 8.492 3.519 39 1HG2 VAL 5 HG21 VAL 5 1.284 7.319 2.371 40 2HG2 VAL 5 HG23 VAL 5 0.327 5.874 2.681 41 3HG2 VAL 5 HG22 VAL 5 -0.258 7.097 1.552 42 H TYR 6 HN TYR 6 0.625 6.075 5.435 43 HA TYR 6 HA TYR 6 3.336 5.383 4.655 44 1HB TYR 6 HB2 TYR 6 4.114 6.606 6.509 45 2HB TYR 6 HB1 TYR 6 2.720 6.172 7.496 46 HD1 TYR 6 HD1 TYR 6 5.440 4.409 5.587 47 HD2 TYR 6 HD2 TYR 6 3.101 4.603 9.185 48 HE1 TYR 6 HE1 TYR 6 6.695 2.480 6.506 49 HE2 TYR 6 HE2 TYR 6 4.359 2.675 10.104 50 HH TYR 6 HH TYR 6 5.993 1.219 9.768 51 H ILE 7 HN ILE 7 3.521 3.152 4.589 52 HA ILE 7 HA ILE 7 1.718 1.512 6.274 53 HB ILE 7 HB ILE 7 0.819 0.269 4.386 54 1HG1 ILE 7 HG12 ILE 7 2.609 2.109 2.772 55 2HG1 ILE 7 HG11 ILE 7 2.670 0.348 2.847 56 1HG2 ILE 7 HG22 ILE 7 -0.092 2.655 5.088 57 2HG2 ILE 7 HG21 ILE 7 0.463 3.107 3.478 58 3HG2 ILE 7 HG23 ILE 7 -0.746 1.838 3.670 59 1HD1 ILE 7 HD12 ILE 7 0.311 1.924 1.785 60 2HD1 ILE 7 HD11 ILE 7 1.566 1.215 0.770 61 3HD1 ILE 7 HD13 ILE 7 0.519 0.173 1.733 62 H ALA 8 HN ALA 8 2.772 -0.483 6.752 63 HA ALA 8 HA ALA 8 5.125 -1.099 5.098 64 1HB ALA 8 HB2 ALA 8 5.202 -0.390 7.995 65 2HB ALA 8 HB1 ALA 8 6.424 -1.460 7.306 66 3HB ALA 8 HB3 ALA 8 6.239 0.181 6.688 67 H PHE 9 HN PHE 9 5.571 -3.276 4.869 68 HA PHE 9 HA PHE 9 4.120 -5.063 6.772 69 1HB PHE 9 HB2 PHE 9 3.836 -6.641 4.826 70 2HB PHE 9 HB1 PHE 9 2.854 -5.185 4.739 71 HD1 PHE 9 HD2 PHE 9 6.329 -6.284 3.812 72 HD2 PHE 9 HD1 PHE 9 2.790 -4.134 2.688 73 HE1 PHE 9 HE2 PHE 9 7.370 -5.722 1.657 74 HE2 PHE 9 HE1 PHE 9 3.826 -3.579 0.517 75 HZ PHE 9 HZ PHE 9 6.121 -4.366 -0.013 76 H GLN 10 HN GLN 10 5.086 -7.438 6.357 77 HA GLN 10 HA GLN 10 8.056 -7.171 6.069 78 1HB GLN 10 HB2 GLN 10 7.006 -7.526 8.482 79 2HB GLN 10 HB1 GLN 10 6.880 -9.198 7.940 80 1HG GLN 10 HG2 GLN 10 9.448 -7.620 7.713 81 2HG GLN 10 HG1 GLN 10 9.047 -8.563 9.149 82 1HE2 GLN 10 HE22 GLN 10 9.904 -10.535 5.644 83 2HE2 GLN 10 HE21 GLN 10 9.442 -8.903 5.588 84 H ASP 11 HN ASP 11 8.039 -8.034 3.966 85 HA ASP 11 HA ASP 11 6.847 -10.760 3.678 86 1HB ASP 11 HB2 ASP 11 6.733 -10.360 1.321 87 2HB ASP 11 HB1 ASP 11 6.145 -8.888 2.096 88 H ASN 12 HN ASN 12 8.129 -12.475 2.986 89 HA ASN 12 HA ASN 12 11.007 -12.187 3.401 90 1HB ASN 12 HB2 ASN 12 9.319 -14.258 3.787 91 2HB ASN 12 HB1 ASN 12 9.905 -14.665 2.174 92 1HD2 ASN 12 HD22 ASN 12 12.221 -15.820 5.067 93 2HD2 ASN 12 HD21 ASN 12 10.524 -15.775 5.034 94 H ASP 13 HN ASP 13 8.988 -11.570 0.810 95 HA ASP 13 HA ASP 13 10.748 -12.554 -1.305 96 1HB ASP 13 HB2 ASP 13 8.185 -12.172 -1.443 97 2HB ASP 13 HB1 ASP 13 8.591 -10.468 -1.641 98 H ASN 14 HN ASN 14 12.735 -11.564 -1.278 99 HA ASN 14 HA ASN 14 13.178 -8.836 -0.506 100 1HB ASN 14 HB2 ASN 14 15.008 -10.457 -0.476 101 2HB ASN 14 HB1 ASN 14 14.853 -10.702 -2.216 102 1HD2 ASN 14 HD22 ASN 14 16.570 -7.709 -3.067 103 2HD2 ASN 14 HD21 ASN 14 15.584 -8.965 -3.644 104 H ALA 15 HN ALA 15 11.724 -10.166 -3.247 105 HA ALA 15 HA ALA 15 12.631 -8.510 -5.341 106 1HB ALA 15 HB1 ALA 15 10.795 -10.455 -5.226 107 2HB ALA 15 HB3 ALA 15 9.705 -9.071 -5.153 108 3HB ALA 15 HB2 ALA 15 10.796 -9.261 -6.525 109 H ARG 16 HN ARG 16 10.248 -7.906 -2.799 110 HA ARG 16 HA ARG 16 9.243 -5.426 -3.722 111 1HB ARG 16 HB2 ARG 16 9.667 -6.585 -0.970 112 2HB ARG 16 HB1 ARG 16 9.012 -4.961 -1.180 113 1HG ARG 16 HG2 ARG 16 7.843 -7.343 -2.622 114 2HG ARG 16 HG1 ARG 16 7.308 -6.881 -1.005 115 1HD ARG 16 HD2 ARG 16 5.891 -5.445 -2.019 116 2HD ARG 16 HD1 ARG 16 7.311 -4.478 -2.413 117 HE ARG 16 HE ARG 16 7.210 -6.363 -4.442 118 1HH1 ARG 16 HH21 ARG 16 5.033 -4.079 -3.041 119 2HH1 ARG 16 HH22 ARG 16 4.166 -3.807 -4.514 120 1HH2 ARG 16 HH11 ARG 16 6.084 -6.019 -6.370 121 2HH2 ARG 16 HH12 ARG 16 4.759 -4.903 -6.397 122 H TYR 17 HN TYR 17 12.109 -6.139 -1.721 123 HA TYR 17 HA TYR 17 12.947 -3.481 -1.255 124 1HB TYR 17 HB2 TYR 17 14.033 -6.073 -0.901 125 2HB TYR 17 HB1 TYR 17 15.229 -5.157 -1.818 126 HD1 TYR 17 HD1 TYR 17 16.268 -3.146 -0.892 127 HD2 TYR 17 HD2 TYR 17 13.367 -5.385 1.347 128 HE1 TYR 17 HE1 TYR 17 16.920 -1.929 1.169 129 HE2 TYR 17 HE2 TYR 17 14.019 -4.171 3.409 130 HH TYR 17 HH TYR 17 15.968 -2.937 4.277 131 H VAL 18 HN VAL 18 13.660 -5.633 -4.015 132 HA VAL 18 HA VAL 18 15.361 -3.901 -5.458 133 HB VAL 18 HB VAL 18 13.234 -5.746 -6.595 134 1HG1 VAL 18 HG12 VAL 18 15.710 -4.442 -7.742 135 2HG1 VAL 18 HG11 VAL 18 14.967 -5.862 -8.480 136 3HG1 VAL 18 HG13 VAL 18 14.056 -4.357 -8.350 137 1HG2 VAL 18 HG22 VAL 18 15.303 -6.445 -4.923 138 2HG2 VAL 18 HG21 VAL 18 14.586 -7.515 -6.127 139 3HG2 VAL 18 HG23 VAL 18 16.052 -6.613 -6.511 140 H VAL 19 HN VAL 19 11.834 -4.290 -5.965 141 HA VAL 19 HA VAL 19 11.479 -2.056 -7.645 142 HB VAL 19 HB VAL 19 9.536 -3.045 -5.531 143 1HG1 VAL 19 HG13 VAL 19 9.396 -0.861 -7.280 144 2HG1 VAL 19 HG12 VAL 19 8.455 -2.125 -8.072 145 3HG1 VAL 19 HG11 VAL 19 8.043 -1.613 -6.435 146 1HG2 VAL 19 HG23 VAL 19 10.525 -4.763 -7.192 147 2HG2 VAL 19 HG22 VAL 19 8.768 -4.643 -7.111 148 3HG2 VAL 19 HG21 VAL 19 9.644 -3.876 -8.435 149 H GLU 20 HN GLU 20 12.118 -2.224 -4.242 150 HA GLU 20 HA GLU 20 11.152 0.384 -3.502 151 1HB GLU 20 HB2 GLU 20 12.287 -1.758 -2.156 152 2HB GLU 20 HB1 GLU 20 13.546 -0.525 -2.067 153 1HG GLU 20 HG2 GLU 20 12.364 0.684 -0.577 154 2HG GLU 20 HG1 GLU 20 10.919 0.621 -1.586 155 H ALA 21 HN ALA 21 14.464 -0.774 -4.257 156 HA ALA 21 HA ALA 21 15.795 1.687 -4.218 157 1HB ALA 21 HB1 ALA 21 16.338 -0.914 -5.203 158 2HB ALA 21 HB3 ALA 21 16.638 0.192 -6.544 159 3HB ALA 21 HB2 ALA 21 17.483 0.413 -5.012 160 H ILE 22 HN ILE 22 13.711 0.300 -6.717 161 HA ILE 22 HA ILE 22 14.155 2.280 -8.729 162 HB ILE 22 HB ILE 22 11.592 0.767 -8.130 163 1HG1 ILE 22 HG12 ILE 22 14.003 0.045 -9.827 164 2HG1 ILE 22 HG11 ILE 22 13.463 -0.784 -8.367 165 1HG2 ILE 22 HG23 ILE 22 12.006 2.819 -9.917 166 2HG2 ILE 22 HG22 ILE 22 12.342 1.398 -10.906 167 3HG2 ILE 22 HG21 ILE 22 10.784 1.560 -10.097 168 1HD1 ILE 22 HD11 ILE 22 11.257 -1.203 -9.564 169 2HD1 ILE 22 HD13 ILE 22 12.045 -0.636 -11.036 170 3HD1 ILE 22 HD12 ILE 22 12.645 -2.075 -10.213 171 H ILE 23 HN ILE 23 11.783 2.110 -6.069 172 HA ILE 23 HA ILE 23 10.319 4.443 -6.587 173 HB ILE 23 HB ILE 23 11.262 3.389 -3.901 174 1HG1 ILE 23 HG12 ILE 23 9.915 1.848 -5.425 175 2HG1 ILE 23 HG11 ILE 23 9.197 2.169 -3.845 176 1HG2 ILE 23 HG23 ILE 23 10.460 5.762 -3.865 177 2HG2 ILE 23 HG22 ILE 23 8.929 5.215 -4.548 178 3HG2 ILE 23 HG21 ILE 23 9.425 4.668 -2.947 179 1HD1 ILE 23 HD12 ILE 23 8.515 3.784 -6.311 180 2HD1 ILE 23 HD11 ILE 23 7.604 2.355 -5.823 181 3HD1 ILE 23 HD13 ILE 23 7.666 3.765 -4.766 182 H GLN 24 HN GLN 24 13.248 4.226 -4.524 183 HA GLN 24 HA GLN 24 13.562 7.048 -4.236 184 1HB GLN 24 HB2 GLN 24 14.874 4.863 -3.243 185 2HB GLN 24 HB1 GLN 24 16.055 5.459 -4.410 186 1HG GLN 24 HG2 GLN 24 14.713 7.360 -2.498 187 2HG GLN 24 HG1 GLN 24 16.115 6.419 -1.987 188 1HE2 GLN 24 HE22 GLN 24 16.594 9.424 -4.729 189 2HE2 GLN 24 HE21 GLN 24 15.035 8.870 -4.347 190 H ASP 25 HN ASP 25 14.373 4.836 -6.826 191 HA ASP 25 HA ASP 25 16.268 6.306 -8.282 192 1HB ASP 25 HB2 ASP 25 14.895 4.040 -8.788 193 2HB ASP 25 HB1 ASP 25 13.998 5.146 -9.828 194 H ASN 26 HN ASN 26 12.754 6.737 -8.064 195 HA ASN 26 HA ASN 26 12.756 8.983 -9.933 196 1HB ASN 26 HB2 ASN 26 10.592 8.216 -7.961 197 2HB ASN 26 HB1 ASN 26 10.409 9.137 -9.454 198 1HD2 ASN 26 HD22 ASN 26 10.590 5.063 -9.604 199 2HD2 ASN 26 HD21 ASN 26 10.871 5.882 -8.145 200 HA PRO 27 HA PRO 27 13.727 11.825 -6.735 201 1HB PRO 27 HB2 PRO 27 13.105 14.111 -8.357 202 2HB PRO 27 HB1 PRO 27 14.700 13.432 -8.006 203 1HG PRO 27 HG2 PRO 27 13.241 13.318 -10.489 204 2HG PRO 27 HG1 PRO 27 14.842 12.656 -10.137 205 1HD PRO 27 HD2 PRO 27 12.384 11.209 -10.504 206 2HD PRO 27 HD1 PRO 27 13.988 10.552 -10.135 207 H HIS 28 HN HIS 28 11.104 10.777 -6.584 208 HA HIS 28 HA HIS 28 9.672 13.116 -5.493 209 1HB HIS 28 HB2 HIS 28 9.043 12.603 -7.975 210 2HB HIS 28 HB1 HIS 28 8.187 11.222 -7.294 211 HD1 HIS 28 HD1 HIS 28 6.239 11.753 -5.583 212 HD2 HIS 28 HD2 HIS 28 7.796 15.089 -7.538 213 HE1 HIS 28 HE1 HIS 28 4.592 13.640 -5.202 214 H ALA 29 HN ALA 29 9.487 9.611 -6.161 215 HA ALA 29 HA ALA 29 7.750 9.072 -3.912 216 1HB ALA 29 HB3 ALA 29 8.308 7.649 -6.074 217 2HB ALA 29 HB2 ALA 29 9.580 6.986 -5.049 218 3HB ALA 29 HB1 ALA 29 7.891 6.844 -4.562 219 H VAL 30 HN VAL 30 8.293 8.485 -1.814 220 HA VAL 30 HA VAL 30 11.176 8.764 -1.109 221 HB VAL 30 HB VAL 30 8.839 8.704 0.807 222 1HG1 VAL 30 HG13 VAL 30 11.356 8.422 1.463 223 2HG1 VAL 30 HG12 VAL 30 11.459 10.150 1.130 224 3HG1 VAL 30 HG11 VAL 30 10.361 9.556 2.376 225 1HG2 VAL 30 HG21 VAL 30 9.633 10.761 -1.114 226 2HG2 VAL 30 HG23 VAL 30 8.190 10.672 -0.104 227 3HG2 VAL 30 HG22 VAL 30 9.682 11.347 0.549 228 H VAL 31 HN VAL 31 12.162 7.176 0.277 229 HA VAL 31 HA VAL 31 10.659 4.603 0.469 230 HB VAL 31 HB VAL 31 13.141 3.663 0.204 231 1HG1 VAL 31 HG12 VAL 31 10.860 3.961 -1.463 232 2HG1 VAL 31 HG11 VAL 31 12.274 4.287 -2.465 233 3HG1 VAL 31 HG13 VAL 31 12.142 2.757 -1.597 234 1HG2 VAL 31 HG22 VAL 31 13.778 6.237 -0.093 235 2HG2 VAL 31 HG21 VAL 31 14.606 4.979 -1.012 236 3HG2 VAL 31 HG23 VAL 31 13.310 5.910 -1.762 237 H GLN 32 HN GLN 32 11.778 3.110 2.120 238 HA GLN 32 HA GLN 32 13.259 4.575 4.225 239 1HB GLN 32 HB2 GLN 32 10.539 4.448 4.431 240 2HB GLN 32 HB1 GLN 32 11.004 2.961 5.259 241 1HG GLN 32 HG2 GLN 32 12.730 4.447 6.506 242 2HG GLN 32 HG1 GLN 32 11.751 5.801 5.938 243 1HE2 GLN 32 HE22 GLN 32 10.440 4.617 9.268 244 2HE2 GLN 32 HE21 GLN 32 11.964 5.139 8.735 245 H HIS 33 HN HIS 33 14.994 3.238 4.460 246 HA HIS 33 HA HIS 33 14.751 0.354 4.004 247 1HB HIS 33 HB2 HIS 33 17.148 1.807 5.135 248 2HB HIS 33 HB1 HIS 33 17.119 0.296 4.228 249 HD1 HIS 33 HD1 HIS 33 17.173 3.980 3.807 250 HD2 HIS 33 HD2 HIS 33 16.576 0.635 1.392 251 HE1 HIS 33 HE1 HIS 33 17.342 4.786 1.411 252 H HIS 34 HN HIS 34 14.341 -1.126 5.581 253 HA HIS 34 HA HIS 34 14.750 -0.276 8.420 254 1HB HIS 34 HB2 HIS 34 12.418 -1.563 7.072 255 2HB HIS 34 HB1 HIS 34 12.810 -2.104 8.704 256 HD1 HIS 34 HD1 HIS 34 10.802 -0.929 9.820 257 HD2 HIS 34 HD2 HIS 34 13.270 1.679 7.704 258 HE1 HIS 34 HE1 HIS 34 10.082 1.414 10.458 259 HA PRO 35 HA PRO 35 17.017 -4.022 8.510 260 1HB PRO 35 HB2 PRO 35 17.202 -4.062 11.373 261 2HB PRO 35 HB1 PRO 35 18.413 -3.494 10.215 262 1HG PRO 35 HG2 PRO 35 16.758 -1.908 11.972 263 2HG PRO 35 HG1 PRO 35 18.003 -1.349 10.846 264 1HD PRO 35 HD2 PRO 35 15.158 -1.080 10.579 265 2HD PRO 35 HD1 PRO 35 16.408 -0.572 9.429 266 H ALA 36 HN ALA 36 14.206 -4.440 8.350 267 HA ALA 36 HA ALA 36 13.875 -7.088 9.124 268 1HB ALA 36 HB2 ALA 36 13.306 -5.161 11.344 269 2HB ALA 36 HB1 ALA 36 12.264 -6.573 11.171 270 3HB ALA 36 HB3 ALA 36 13.998 -6.781 11.419 271 H MET 37 HN MET 37 12.357 -3.940 8.761 272 HA MET 37 HA MET 37 9.857 -5.282 7.826 273 1HB MET 37 HB2 MET 37 10.486 -2.553 8.912 274 2HB MET 37 HB1 MET 37 9.106 -2.745 7.830 275 1HG MET 37 HG2 MET 37 7.952 -3.348 9.684 276 2HG MET 37 HG1 MET 37 8.815 -4.881 9.558 277 1HE MET 37 HE2 MET 37 9.491 -5.845 11.420 278 2HE MET 37 HE1 MET 37 9.921 -5.129 12.971 279 3HE MET 37 HE3 MET 37 8.270 -4.984 12.354 280 H ILE 38 HN ILE 38 8.812 -4.042 5.926 281 HA ILE 38 HA ILE 38 10.701 -2.796 4.053 282 HB ILE 38 HB ILE 38 9.726 -4.622 2.333 283 1HG1 ILE 38 HG12 ILE 38 8.625 -5.738 4.412 284 2HG1 ILE 38 HG11 ILE 38 9.449 -6.769 3.246 285 1HG2 ILE 38 HG23 ILE 38 12.205 -4.480 3.977 286 2HG2 ILE 38 HG22 ILE 38 11.935 -5.960 3.057 287 3HG2 ILE 38 HG21 ILE 38 12.006 -4.406 2.227 288 1HD1 ILE 38 HD12 ILE 38 11.383 -5.877 5.168 289 2HD1 ILE 38 HD11 ILE 38 9.982 -6.498 6.036 290 3HD1 ILE 38 HD13 ILE 38 10.817 -7.516 4.865 291 H ARG 39 HN ARG 39 9.524 -1.206 3.043 292 HA ARG 39 HA ARG 39 7.098 -1.586 1.723 293 1HB ARG 39 HB2 ARG 39 6.730 -1.640 4.478 294 2HB ARG 39 HB1 ARG 39 6.022 -0.138 3.879 295 1HG ARG 39 HG2 ARG 39 5.450 -2.956 2.929 296 2HG ARG 39 HG1 ARG 39 4.309 -1.832 3.659 297 1HD ARG 39 HD2 ARG 39 5.013 -0.323 1.579 298 2HD ARG 39 HD1 ARG 39 5.402 -1.889 0.876 299 HE ARG 39 HE ARG 39 2.856 -2.232 1.920 300 1HH1 ARG 39 HH21 ARG 39 4.410 -0.002 -0.211 301 2HH1 ARG 39 HH22 ARG 39 2.984 0.298 -1.145 302 1HH2 ARG 39 HH11 ARG 39 0.991 -1.851 0.706 303 2HH2 ARG 39 HH12 ARG 39 1.051 -0.747 -0.627 304 H ILE 40 HN ILE 40 5.780 0.999 2.538 305 HA ILE 40 HA ILE 40 7.866 3.035 2.189 306 HB ILE 40 HB ILE 40 5.778 2.943 0.062 307 1HG1 ILE 40 HG12 ILE 40 8.386 1.406 -0.123 308 2HG1 ILE 40 HG11 ILE 40 6.796 0.666 0.065 309 1HG2 ILE 40 HG23 ILE 40 8.079 4.490 0.686 310 2HG2 ILE 40 HG22 ILE 40 8.426 3.628 -0.813 311 3HG2 ILE 40 HG21 ILE 40 7.005 4.667 -0.701 312 1HD1 ILE 40 HD13 ILE 40 6.093 1.883 -2.042 313 2HD1 ILE 40 HD12 ILE 40 7.786 2.324 -2.264 314 3HD1 ILE 40 HD11 ILE 40 7.307 0.626 -2.281 315 H GLU 41 HN GLU 41 6.417 5.143 1.351 316 HA GLU 41 HA GLU 41 3.901 5.246 2.936 317 1HB GLU 41 HB2 GLU 41 4.781 7.711 3.402 318 2HB GLU 41 HB1 GLU 41 5.259 6.381 4.454 319 1HG GLU 41 HG2 GLU 41 7.405 6.265 3.557 320 2HG GLU 41 HG1 GLU 41 6.913 6.989 2.025 321 H ALA 42 HN ALA 42 3.070 7.749 2.355 322 HA ALA 42 HA ALA 42 3.422 8.089 -0.585 323 1HB ALA 42 HB1 ALA 42 1.278 6.736 0.290 324 2HB ALA 42 HB3 ALA 42 0.660 8.373 0.506 325 3HB ALA 42 HB2 ALA 42 1.188 7.834 -1.088 326 H GLU 43 HN GLU 43 1.726 10.137 -1.071 327 HA GLU 43 HA GLU 43 2.218 12.201 1.009 328 1HB GLU 43 HB2 GLU 43 3.236 12.204 -1.820 329 2HB GLU 43 HB1 GLU 43 2.863 13.728 -1.014 330 1HG GLU 43 HG2 GLU 43 4.476 13.361 0.680 331 2HG GLU 43 HG1 GLU 43 4.611 11.644 0.294 332 H LYS 44 HN LYS 44 -0.233 10.827 0.067 333 HA LYS 44 HA LYS 44 -1.876 13.176 -0.293 334 1HB LYS 44 HB2 LYS 44 -0.789 12.436 -2.639 335 2HB LYS 44 HB1 LYS 44 -2.195 11.376 -2.632 336 1HG LYS 44 HG2 LYS 44 -3.588 13.089 -3.078 337 2HG LYS 44 HG1 LYS 44 -2.908 14.054 -1.767 338 1HD LYS 44 HD2 LYS 44 -1.238 14.978 -3.146 339 2HD LYS 44 HD1 LYS 44 -1.410 13.708 -4.358 340 1HE LYS 44 HE2 LYS 44 -2.520 15.516 -5.358 341 2HE LYS 44 HE1 LYS 44 -3.842 14.616 -4.615 342 1HZ LYS 44 HZ2 LYS 44 -2.939 16.272 -2.638 343 2HZ LYS 44 HZ1 LYS 44 -2.885 17.241 -4.032 344 3HZ LYS 44 HZ3 LYS 44 -4.339 16.498 -3.574 345 H ARG 45 HN ARG 45 -3.915 11.492 -1.793 346 HA ARG 45 HA ARG 45 -4.504 9.440 0.235 347 1HB ARG 45 HB2 ARG 45 -5.583 11.906 0.563 348 2HB ARG 45 HB1 ARG 45 -6.816 11.147 -0.447 349 1HG ARG 45 HG2 ARG 45 -7.045 9.305 1.105 350 2HG ARG 45 HG1 ARG 45 -5.678 9.882 2.056 351 1HD ARG 45 HD2 ARG 45 -7.624 11.991 1.739 352 2HD ARG 45 HD1 ARG 45 -8.403 10.556 2.400 353 HE ARG 45 HE ARG 45 -6.748 12.324 3.863 354 1HH1 ARG 45 HH21 ARG 45 -7.044 8.927 3.256 355 2HH1 ARG 45 HH22 ARG 45 -6.086 8.481 4.624 356 1HH2 ARG 45 HH11 ARG 45 -5.528 11.736 5.653 357 2HH2 ARG 45 HH12 ARG 45 -5.240 10.060 5.980 358 H LEU 46 HN LEU 46 -7.270 9.166 -0.704 359 HA LEU 46 HA LEU 46 -7.054 8.591 -3.581 360 1HB LEU 46 HB2 LEU 46 -6.521 6.597 -1.647 361 2HB LEU 46 HB1 LEU 46 -8.060 6.213 -2.390 362 HG LEU 46 HG LEU 46 -5.417 6.646 -3.789 363 1HD1 LEU 46 HD13 LEU 46 -5.830 4.388 -2.884 364 2HD1 LEU 46 HD12 LEU 46 -7.370 4.336 -3.742 365 3HD1 LEU 46 HD11 LEU 46 -5.858 4.382 -4.646 366 1HD2 LEU 46 HD23 LEU 46 -8.238 6.709 -4.771 367 2HD2 LEU 46 HD22 LEU 46 -6.869 7.713 -5.251 368 3HD2 LEU 46 HD21 LEU 46 -6.979 6.043 -5.808 369 H GLU 47 HN GLU 47 -9.164 8.291 -4.524 370 HA GLU 47 HA GLU 47 -11.464 8.260 -2.633 371 1HB GLU 47 HB2 GLU 47 -11.149 10.614 -3.238 372 2HB GLU 47 HB1 GLU 47 -11.123 10.190 -4.951 373 1HG GLU 47 HG2 GLU 47 -13.479 9.145 -3.558 374 2HG GLU 47 HG1 GLU 47 -13.380 10.906 -3.513 375 H ILE 48 HN ILE 48 -13.184 7.006 -3.400 376 HA ILE 48 HA ILE 48 -13.365 6.298 -6.237 377 HB ILE 48 HB ILE 48 -13.241 3.818 -4.693 378 1HG1 ILE 48 HG12 ILE 48 -10.681 5.420 -5.016 379 2HG1 ILE 48 HG11 ILE 48 -11.491 5.127 -3.477 380 1HG2 ILE 48 HG23 ILE 48 -11.778 4.838 -7.147 381 2HG2 ILE 48 HG22 ILE 48 -11.829 3.159 -6.610 382 3HG2 ILE 48 HG21 ILE 48 -13.305 3.957 -7.152 383 1HD1 ILE 48 HD11 ILE 48 -10.531 2.930 -5.330 384 2HD1 ILE 48 HD13 ILE 48 -9.616 3.521 -3.943 385 3HD1 ILE 48 HD12 ILE 48 -11.175 2.733 -3.700 386 H ARG 49 HN ARG 49 -15.334 5.132 -6.719 387 HA ARG 49 HA ARG 49 -17.467 5.715 -4.797 388 1HB ARG 49 HB2 ARG 49 -17.685 4.307 -7.469 389 2HB ARG 49 HB1 ARG 49 -18.985 5.088 -6.568 390 1HG ARG 49 HG2 ARG 49 -17.000 7.056 -6.825 391 2HG ARG 49 HG1 ARG 49 -17.069 6.267 -8.401 392 1HD ARG 49 HD2 ARG 49 -19.745 6.562 -7.576 393 2HD ARG 49 HD1 ARG 49 -18.965 8.095 -7.199 394 HE ARG 49 HE ARG 49 -19.735 7.264 -9.790 395 1HH1 ARG 49 HH21 ARG 49 -16.929 8.501 -8.177 396 2HH1 ARG 49 HH22 ARG 49 -16.156 8.984 -9.645 397 1HH2 ARG 49 HH11 ARG 49 -18.738 7.923 -11.690 398 2HH2 ARG 49 HH12 ARG 49 -17.178 8.673 -11.624 399 H ARG 50 HN ARG 50 -19.255 3.651 -5.219 400 HA ARG 50 HA ARG 50 -18.224 1.639 -3.407 401 1HB ARG 50 HB2 ARG 50 -20.594 2.321 -3.391 402 2HB ARG 50 HB1 ARG 50 -20.789 1.679 -5.023 403 1HG ARG 50 HG2 ARG 50 -19.655 -0.134 -2.935 404 2HG ARG 50 HG1 ARG 50 -21.385 0.205 -2.884 405 1HD ARG 50 HD2 ARG 50 -20.487 -0.346 -5.592 406 2HD ARG 50 HD1 ARG 50 -20.110 -1.684 -4.510 407 HE ARG 50 HE ARG 50 -22.679 -1.111 -5.543 408 1HH1 ARG 50 HH21 ARG 50 -21.174 -1.729 -2.484 409 2HH1 ARG 50 HH22 ARG 50 -22.667 -2.096 -1.693 410 1HH2 ARG 50 HH11 ARG 50 -24.608 -1.618 -4.516 411 2HH2 ARG 50 HH12 ARG 50 -24.599 -2.047 -2.838 412 H GLU 51 HN GLU 51 -18.545 1.885 -6.890 413 HA GLU 51 HA GLU 51 -18.530 -0.797 -7.672 414 1HB GLU 51 HB2 GLU 51 -17.251 -0.054 -9.665 415 2HB GLU 51 HB1 GLU 51 -18.570 1.052 -9.289 416 1HG GLU 51 HG2 GLU 51 -17.063 2.721 -9.232 417 2HG GLU 51 HG1 GLU 51 -16.379 1.976 -7.788 418 H THR 52 HN THR 52 -15.953 1.092 -6.200 419 HA THR 52 HA THR 52 -13.825 -0.768 -6.751 420 HB THR 52 HB THR 52 -13.754 0.720 -4.186 421 HG1 THR 52 HG1 THR 52 -13.939 1.980 -6.716 422 1HG2 THR 52 HG21 THR 52 -11.887 -0.493 -5.660 423 2HG2 THR 52 HG23 THR 52 -11.827 1.091 -6.432 424 3HG2 THR 52 HG22 THR 52 -11.519 0.941 -4.701 425 H VAL 53 HN VAL 53 -16.064 -0.391 -4.000 426 HA VAL 53 HA VAL 53 -15.113 -2.404 -2.313 427 HB VAL 53 HB VAL 53 -18.035 -1.928 -2.991 428 1HG1 VAL 53 HG12 VAL 53 -16.662 -2.978 -0.496 429 2HG1 VAL 53 HG11 VAL 53 -18.393 -2.688 -0.663 430 3HG1 VAL 53 HG13 VAL 53 -17.612 -3.938 -1.630 431 1HG2 VAL 53 HG21 VAL 53 -16.265 -0.012 -2.159 432 2HG2 VAL 53 HG23 VAL 53 -17.987 0.002 -1.777 433 3HG2 VAL 53 HG22 VAL 53 -16.832 -0.648 -0.614 434 H GLU 54 HN GLU 54 -16.743 -2.677 -5.401 435 HA GLU 54 HA GLU 54 -17.291 -5.519 -5.196 436 1HB GLU 54 HB2 GLU 54 -18.600 -4.441 -6.827 437 2HB GLU 54 HB1 GLU 54 -17.236 -3.514 -7.445 438 1HG GLU 54 HG2 GLU 54 -16.520 -5.208 -8.799 439 2HG GLU 54 HG1 GLU 54 -16.981 -6.460 -7.646 440 H GLU 55 HN GLU 55 -14.708 -3.550 -6.677 441 HA GLU 55 HA GLU 55 -13.189 -5.677 -7.780 442 1HB GLU 55 HB2 GLU 55 -12.754 -3.192 -8.059 443 2HB GLU 55 HB1 GLU 55 -12.013 -3.218 -6.458 444 1HG GLU 55 HG2 GLU 55 -10.321 -4.767 -7.173 445 2HG GLU 55 HG1 GLU 55 -11.150 -5.058 -8.703 446 H ASN 56 HN ASN 56 -12.877 -4.187 -4.532 447 HA ASN 56 HA ASN 56 -10.855 -5.906 -3.550 448 1HB ASN 56 HB2 ASN 56 -12.459 -3.865 -2.501 449 2HB ASN 56 HB1 ASN 56 -12.832 -5.276 -1.510 450 1HD2 ASN 56 HD21 ASN 56 -10.329 -6.605 -1.522 451 2HD2 ASN 56 HD22 ASN 56 -9.179 -5.627 -0.746 452 H LEU 57 HN LEU 57 -14.378 -6.343 -3.656 453 HA LEU 57 HA LEU 57 -14.546 -8.692 -2.081 454 1HB LEU 57 HB2 LEU 57 -16.556 -7.538 -2.830 455 2HB LEU 57 HB1 LEU 57 -16.162 -7.880 -4.516 456 HG LEU 57 HG LEU 57 -16.112 -10.389 -3.635 457 1HD1 LEU 57 HD11 LEU 57 -17.489 -8.823 -1.518 458 2HD1 LEU 57 HD13 LEU 57 -18.261 -10.331 -2.005 459 3HD1 LEU 57 HD12 LEU 57 -16.605 -10.344 -1.398 460 1HD2 LEU 57 HD21 LEU 57 -17.679 -9.153 -5.308 461 2HD2 LEU 57 HD23 LEU 57 -18.253 -10.652 -4.576 462 3HD2 LEU 57 HD22 LEU 57 -18.814 -9.098 -3.959 463 H GLY 58 HN GLY 58 -14.152 -8.412 -5.632 464 1HA GLY 58 HA2 GLY 58 -13.788 -11.234 -6.036 465 2HA GLY 58 HA1 GLY 58 -13.314 -9.972 -7.176 466 H ARG 59 HN ARG 59 -11.782 -8.826 -4.692 467 HA ARG 59 HA ARG 59 -9.367 -10.541 -5.119 468 1HB ARG 59 HB2 ARG 59 -9.508 -7.975 -5.798 469 2HB ARG 59 HB1 ARG 59 -9.153 -7.740 -4.086 470 1HG ARG 59 HG2 ARG 59 -7.040 -8.622 -4.258 471 2HG ARG 59 HG1 ARG 59 -7.508 -9.762 -5.521 472 1HD ARG 59 HD2 ARG 59 -7.097 -8.269 -7.208 473 2HD ARG 59 HD1 ARG 59 -7.636 -6.887 -6.254 474 HE ARG 59 HE ARG 59 -5.266 -7.669 -5.035 475 1HH1 ARG 59 HH21 ARG 59 -6.297 -6.837 -8.225 476 2HH1 ARG 59 HH22 ARG 59 -4.758 -6.197 -8.694 477 1HH2 ARG 59 HH11 ARG 59 -3.253 -6.837 -5.639 478 2HH2 ARG 59 HH12 ARG 59 -3.038 -6.196 -7.234 479 H ALA 60 HN ALA 60 -11.611 -10.638 -3.018 480 HA ALA 60 HA ALA 60 -10.408 -9.884 -0.502 481 1HB ALA 60 HB2 ALA 60 -12.701 -11.695 -1.266 482 2HB ALA 60 HB1 ALA 60 -12.183 -11.518 0.410 483 3HB ALA 60 HB3 ALA 60 -12.769 -10.116 -0.484 484 H TRP 61 HN TRP 61 -9.660 -12.337 -2.681 485 HA TRP 61 HA TRP 61 -8.789 -14.263 -0.611 486 1HB TRP 61 HB2 TRP 61 -9.858 -15.053 -2.734 487 2HB TRP 61 HB1 TRP 61 -8.485 -14.398 -3.623 488 HD1 TRP 61 HD1 TRP 61 -6.236 -15.706 -3.569 489 HE1 TRP 61 HE1 TRP 61 -5.556 -18.032 -2.686 490 HE3 TRP 61 HE3 TRP 61 -10.367 -16.836 -0.784 491 HZ2 TRP 61 HZ2 TRP 61 -6.623 -20.098 -1.023 492 HZ3 TRP 61 HZ3 TRP 61 -10.508 -18.988 0.436 493 HH2 TRP 61 HH2 TRP 61 -8.644 -20.619 0.320 494 H ASP 62 HN ASP 62 -7.564 -11.514 -1.090 495 HA ASP 62 HA ASP 62 -4.780 -12.409 -1.701 496 1HB ASP 62 HB2 ASP 62 -5.624 -10.617 -3.167 497 2HB ASP 62 HB1 ASP 62 -5.966 -9.622 -1.752 498 H VAL 63 HN VAL 63 -6.668 -12.025 0.911 499 HA VAL 63 HA VAL 63 -4.785 -10.438 2.540 500 HB VAL 63 HB VAL 63 -7.094 -11.994 3.662 501 1HG1 VAL 63 HG11 VAL 63 -5.530 -9.517 4.315 502 2HG1 VAL 63 HG13 VAL 63 -7.186 -9.665 4.903 503 3HG1 VAL 63 HG12 VAL 63 -5.976 -10.863 5.364 504 1HG2 VAL 63 HG23 VAL 63 -7.197 -9.515 1.936 505 2HG2 VAL 63 HG22 VAL 63 -8.173 -10.979 1.805 506 3HG2 VAL 63 HG21 VAL 63 -8.446 -9.853 3.135 507 H GLN 64 HN GLN 64 -5.743 -13.805 2.063 508 HA GLN 64 HA GLN 64 -4.533 -14.986 4.315 509 1HB GLN 64 HB2 GLN 64 -4.537 -16.075 1.481 510 2HB GLN 64 HB1 GLN 64 -4.324 -17.019 2.956 511 1HG GLN 64 HG2 GLN 64 -6.793 -15.441 2.177 512 2HG GLN 64 HG1 GLN 64 -6.643 -17.198 2.210 513 1HE2 GLN 64 HE22 GLN 64 -7.286 -15.161 5.678 514 2HE2 GLN 64 HE21 GLN 64 -7.058 -14.333 4.214 515 H GLU 65 HN GLU 65 -3.074 -13.857 1.297 516 HA GLU 65 HA GLU 65 -0.439 -14.897 1.884 517 1HB GLU 65 HB2 GLU 65 -1.704 -13.350 -0.213 518 2HB GLU 65 HB1 GLU 65 -0.153 -12.634 0.229 519 1HG GLU 65 HG2 GLU 65 0.977 -14.769 -0.098 520 2HG GLU 65 HG1 GLU 65 -0.563 -15.570 -0.412 521 H MET 66 HN MET 66 -2.159 -11.925 2.652 522 HA MET 66 HA MET 66 0.140 -10.427 3.531 523 1HB MET 66 HB2 MET 66 -2.754 -10.119 3.527 524 2HB MET 66 HB1 MET 66 -2.049 -9.551 5.040 525 1HG MET 66 HG2 MET 66 -0.742 -7.931 3.979 526 2HG MET 66 HG1 MET 66 -0.771 -8.779 2.434 527 1HE MET 66 HE3 MET 66 -1.561 -7.897 0.748 528 2HE MET 66 HE2 MET 66 -3.135 -8.686 0.724 529 3HE MET 66 HE1 MET 66 -3.026 -6.947 0.462 530 H LEU 67 HN LEU 67 -1.458 -13.130 4.832 531 HA LEU 67 HA LEU 67 -1.107 -12.608 7.643 532 1HB LEU 67 HB2 LEU 67 -2.513 -14.448 6.414 533 2HB LEU 67 HB1 LEU 67 -1.014 -15.377 6.476 534 HG LEU 67 HG LEU 67 -1.983 -14.024 8.969 535 1HD1 LEU 67 HD11 LEU 67 -3.079 -16.571 7.756 536 2HD1 LEU 67 HD13 LEU 67 -3.206 -16.202 9.476 537 3HD1 LEU 67 HD12 LEU 67 -3.986 -15.155 8.289 538 1HD2 LEU 67 HD21 LEU 67 0.095 -15.816 8.205 539 2HD2 LEU 67 HD23 LEU 67 -0.270 -15.213 9.822 540 3HD2 LEU 67 HD22 LEU 67 -1.006 -16.710 9.253 541 H VAL 68 HN VAL 68 0.849 -14.519 5.326 542 HA VAL 68 HA VAL 68 2.894 -15.285 7.111 543 HB VAL 68 HB VAL 68 3.189 -14.574 4.182 544 1HG1 VAL 68 HG11 VAL 68 5.228 -14.983 5.854 545 2HG1 VAL 68 HG13 VAL 68 4.798 -16.671 5.577 546 3HG1 VAL 68 HG12 VAL 68 5.240 -15.639 4.217 547 1HG2 VAL 68 HG21 VAL 68 1.390 -16.266 4.774 548 2HG2 VAL 68 HG23 VAL 68 2.668 -16.881 3.725 549 3HG2 VAL 68 HG22 VAL 68 2.670 -17.279 5.443 550 H ASP 69 HN ASP 69 2.635 -12.308 5.156 551 HA ASP 69 HA ASP 69 5.100 -11.286 6.435 552 1HB ASP 69 HB2 ASP 69 4.605 -9.294 4.875 553 2HB ASP 69 HB1 ASP 69 5.037 -10.823 4.108 554 H VAL 70 HN VAL 70 5.054 -9.044 7.361 555 HA VAL 70 HA VAL 70 2.735 -8.780 9.145 556 HB VAL 70 HB VAL 70 5.336 -8.260 9.582 557 1HG1 VAL 70 HG13 VAL 70 4.823 -6.230 7.863 558 2HG1 VAL 70 HG12 VAL 70 4.435 -5.441 9.378 559 3HG1 VAL 70 HG11 VAL 70 6.038 -6.126 9.125 560 1HG2 VAL 70 HG23 VAL 70 3.071 -8.058 11.004 561 2HG2 VAL 70 HG22 VAL 70 4.619 -7.470 11.614 562 3HG2 VAL 70 HG21 VAL 70 3.471 -6.345 10.887 563 H ILE 71 HN ILE 71 1.925 -6.345 9.422 564 HA ILE 71 HA ILE 71 1.721 -4.988 6.802 565 HB ILE 71 HB ILE 71 -0.887 -4.878 7.554 566 1HG1 ILE 71 HG12 ILE 71 -0.401 -7.784 7.932 567 2HG1 ILE 71 HG11 ILE 71 0.004 -6.748 9.301 568 1HG2 ILE 71 HG22 ILE 71 0.486 -6.972 5.848 569 2HG2 ILE 71 HG21 ILE 71 -1.248 -6.651 5.820 570 3HG2 ILE 71 HG23 ILE 71 -0.112 -5.402 5.311 571 1HD1 ILE 71 HD11 ILE 71 -2.577 -6.126 8.006 572 2HD1 ILE 71 HD13 ILE 71 -2.508 -7.700 8.799 573 3HD1 ILE 71 HD12 ILE 71 -2.173 -6.233 9.719 574 H THR 72 HN THR 72 1.528 -2.788 7.024 575 HA THR 72 HA THR 72 0.640 -1.653 9.600 576 HB THR 72 HB THR 72 3.137 -0.468 8.485 577 HG1 THR 72 HG1 THR 72 3.222 -2.632 10.282 578 1HG2 THR 72 HG22 THR 72 1.681 0.326 10.485 579 2HG2 THR 72 HG21 THR 72 2.429 -1.015 11.353 580 3HG2 THR 72 HG23 THR 72 3.432 0.274 10.687 581 H ILE 73 HN ILE 73 0.016 0.598 9.391 582 HA ILE 73 HA ILE 73 -0.115 1.653 6.640 583 HB ILE 73 HB ILE 73 -2.595 2.193 7.219 584 1HG1 ILE 73 HG12 ILE 73 -3.519 0.145 8.549 585 2HG1 ILE 73 HG11 ILE 73 -1.885 0.042 9.201 586 1HG2 ILE 73 HG22 ILE 73 -1.590 0.524 5.505 587 2HG2 ILE 73 HG21 ILE 73 -2.026 -0.714 6.683 588 3HG2 ILE 73 HG23 ILE 73 -3.276 0.310 5.977 589 1HD1 ILE 73 HD13 ILE 73 -2.039 2.412 9.921 590 2HD1 ILE 73 HD12 ILE 73 -3.692 2.475 9.309 591 3HD1 ILE 73 HD11 ILE 73 -3.293 1.421 10.665 592 H GLY 74 HN GLY 74 -1.240 3.911 6.773 593 1HA GLY 74 HA2 GLY 74 -1.266 5.389 9.218 594 2HA GLY 74 HA1 GLY 74 0.296 5.614 8.426 595 H GLY 75 HN GLY 75 -3.114 5.450 7.357 596 1HA GLY 75 HA2 GLY 75 -4.136 7.616 6.558 597 2HA GLY 75 HA1 GLY 75 -2.597 7.921 5.749 598 H ASN 76 HN ASN 76 -4.980 5.247 5.922 599 HA ASN 76 HA ASN 76 -5.615 5.316 3.151 600 1HB ASN 76 HB2 ASN 76 -4.275 3.655 2.203 601 2HB ASN 76 HB1 ASN 76 -3.132 4.443 3.284 602 1HD2 ASN 76 HD22 ASN 76 -3.763 0.555 3.772 603 2HD2 ASN 76 HD21 ASN 76 -4.113 1.420 2.355 604 H VAL 77 HN VAL 77 -7.418 4.049 2.849 605 HA VAL 77 HA VAL 77 -8.004 1.629 4.130 606 HB VAL 77 HB VAL 77 -8.048 2.894 6.222 607 1HG1 VAL 77 HG13 VAL 77 -8.818 5.014 4.742 608 2HG1 VAL 77 HG12 VAL 77 -10.390 4.518 5.368 609 3HG1 VAL 77 HG11 VAL 77 -9.086 4.924 6.483 610 1HG2 VAL 77 HG23 VAL 77 -10.824 2.196 5.209 611 2HG2 VAL 77 HG22 VAL 77 -9.692 1.087 5.983 612 3HG2 VAL 77 HG21 VAL 77 -10.396 2.415 6.906 613 H ASP 78 HN ASP 78 -8.639 1.536 1.850 614 HA ASP 78 HA ASP 78 -10.542 3.045 0.539 615 1HB ASP 78 HB2 ASP 78 -9.267 0.611 0.096 616 2HB ASP 78 HB1 ASP 78 -10.987 0.246 -0.007 617 H GLU 79 HN GLU 79 -11.112 1.098 3.230 618 HA GLU 79 HA GLU 79 -14.041 1.232 2.691 619 1HB GLU 79 HB2 GLU 79 -12.419 -0.917 3.615 620 2HB GLU 79 HB1 GLU 79 -13.433 -0.419 4.969 621 1HG GLU 79 HG2 GLU 79 -15.263 -0.360 2.967 622 2HG GLU 79 HG1 GLU 79 -14.206 -1.644 2.380 623 H ASP 80 HN ASP 80 -14.607 3.217 3.559 624 HA ASP 80 HA ASP 80 -13.748 3.731 6.379 625 1HB ASP 80 HB2 ASP 80 -13.866 5.425 4.015 626 2HB ASP 80 HB1 ASP 80 -14.798 6.109 5.347 627 H ASP 81 HN ASP 81 -16.400 5.168 4.494 628 HA ASP 81 HA ASP 81 -18.239 4.357 6.695 629 1HB ASP 81 HB2 ASP 81 -18.051 6.686 4.877 630 2HB ASP 81 HB1 ASP 81 -19.687 6.100 5.182 631 H ASP 82 HN ASP 82 -19.319 5.242 3.473 632 HA ASP 82 HA ASP 82 -20.332 2.444 3.147 633 1HB ASP 82 HB2 ASP 82 -22.089 4.197 3.587 634 2HB ASP 82 HB1 ASP 82 -21.610 4.975 2.078 635 H ARG 83 HN ARG 83 -18.800 5.204 1.601 636 HA ARG 83 HA ARG 83 -18.791 3.847 -1.022 637 1HB ARG 83 HB2 ARG 83 -18.608 6.536 -0.167 638 2HB ARG 83 HB1 ARG 83 -17.045 6.144 -0.889 639 1HG ARG 83 HG2 ARG 83 -18.294 5.181 -2.861 640 2HG ARG 83 HG1 ARG 83 -19.777 5.833 -2.163 641 1HD ARG 83 HD2 ARG 83 -18.214 8.041 -2.057 642 2HD ARG 83 HD1 ARG 83 -17.519 7.249 -3.471 643 HE ARG 83 HE ARG 83 -20.250 7.133 -3.925 644 1HH1 ARG 83 HH21 ARG 83 -17.947 9.590 -3.151 645 2HH1 ARG 83 HH22 ARG 83 -18.802 10.836 -3.997 646 1HH2 ARG 83 HH11 ARG 83 -21.369 8.750 -5.030 647 2HH2 ARG 83 HH12 ARG 83 -20.735 10.362 -5.059 648 H PHE 84 HN PHE 84 -16.151 4.706 -1.825 649 HA PHE 84 HA PHE 84 -14.475 3.005 -0.027 650 1HB PHE 84 HB2 PHE 84 -15.230 2.451 -2.698 651 2HB PHE 84 HB1 PHE 84 -13.532 2.927 -2.749 652 HD1 PHE 84 HD1 PHE 84 -15.559 1.121 -0.159 653 HD2 PHE 84 HD2 PHE 84 -12.212 1.001 -2.849 654 HE1 PHE 84 HE1 PHE 84 -14.914 -1.097 0.742 655 HE2 PHE 84 HE2 PHE 84 -11.567 -1.216 -1.946 656 HZ PHE 84 HZ PHE 84 -12.917 -2.266 -0.151 657 H VAL 85 HN VAL 85 -12.801 4.179 0.772 658 HA VAL 85 HA VAL 85 -11.447 6.113 -1.042 659 HB VAL 85 HB VAL 85 -13.214 7.281 0.509 660 1HG1 VAL 85 HG12 VAL 85 -12.442 6.004 2.552 661 2HG1 VAL 85 HG11 VAL 85 -10.903 6.856 2.442 662 3HG1 VAL 85 HG13 VAL 85 -12.386 7.754 2.763 663 1HG2 VAL 85 HG21 VAL 85 -10.285 8.078 0.428 664 2HG2 VAL 85 HG23 VAL 85 -11.504 8.479 -0.781 665 3HG2 VAL 85 HG22 VAL 85 -11.608 9.170 0.839 666 H LEU 86 HN LEU 86 -9.234 6.200 -0.632 667 HA LEU 86 HA LEU 86 -8.260 5.238 1.942 668 1HB LEU 86 HB2 LEU 86 -7.026 3.423 1.135 669 2HB LEU 86 HB1 LEU 86 -8.584 3.221 0.368 670 HG LEU 86 HG LEU 86 -7.014 4.862 -1.323 671 1HD1 LEU 86 HD11 LEU 86 -5.510 2.688 0.026 672 2HD1 LEU 86 HD13 LEU 86 -5.305 2.828 -1.719 673 3HD1 LEU 86 HD12 LEU 86 -4.918 4.194 -0.674 674 1HD2 LEU 86 HD21 LEU 86 -8.009 2.020 -1.422 675 2HD2 LEU 86 HD23 LEU 86 -8.702 3.436 -2.211 676 3HD2 LEU 86 HD22 LEU 86 -7.175 2.763 -2.784 677 H GLU 87 HN GLU 87 -5.609 4.912 0.909 678 HA GLU 87 HA GLU 87 -4.951 7.766 0.604 679 1HB GLU 87 HB2 GLU 87 -2.986 7.302 1.597 680 2HB GLU 87 HB1 GLU 87 -3.646 5.708 1.899 681 1HG GLU 87 HG2 GLU 87 -2.815 5.087 -0.456 682 2HG GLU 87 HG1 GLU 87 -1.875 6.576 -0.377 683 H TRP 88 HN TRP 88 -3.023 8.233 -0.905 684 HA TRP 88 HA TRP 88 -3.855 7.431 -3.580 685 1HB TRP 88 HB2 TRP 88 -2.888 9.721 -2.833 686 2HB TRP 88 HB1 TRP 88 -1.320 8.933 -3.022 687 HD1 TRP 88 HD1 TRP 88 -3.597 7.369 -5.388 688 HE1 TRP 88 HE1 TRP 88 -3.315 8.351 -7.757 689 HE3 TRP 88 HE3 TRP 88 -0.864 11.553 -4.303 690 HZ2 TRP 88 HZ2 TRP 88 -2.096 10.604 -9.024 691 HZ3 TRP 88 HZ3 TRP 88 -0.158 13.096 -6.110 692 HH2 TRP 88 HH2 TRP 88 -0.770 12.626 -8.467 693 H LYS 89 HN LYS 89 -3.127 5.634 -4.592 694 HA LYS 89 HA LYS 89 -0.332 4.791 -4.289 695 1HB LYS 89 HB2 LYS 89 -1.779 3.764 -2.371 696 2HB LYS 89 HB1 LYS 89 -2.429 2.729 -3.643 697 1HG LYS 89 HG2 LYS 89 -0.642 1.405 -3.164 698 2HG LYS 89 HG1 LYS 89 0.253 2.562 -4.150 699 1HD LYS 89 HD2 LYS 89 0.067 3.721 -1.582 700 2HD LYS 89 HD1 LYS 89 0.494 2.029 -1.320 701 1HE LYS 89 HE2 LYS 89 2.610 2.506 -1.910 702 2HE LYS 89 HE1 LYS 89 2.036 2.919 -3.526 703 1HZ LYS 89 HZ3 LYS 89 1.584 5.163 -2.752 704 2HZ LYS 89 HZ2 LYS 89 2.147 4.763 -1.200 705 3HZ LYS 89 HZ1 LYS 89 3.217 4.765 -2.519 706 H ASN 90 HN ASN 90 -2.512 5.560 -6.349 707 HA ASN 90 HA ASN 90 -2.491 3.102 -8.014 708 1HB ASN 90 HB2 ASN 90 -4.544 4.695 -7.641 709 2HB ASN 90 HB1 ASN 90 -3.749 5.703 -8.851 710 1HD2 ASN 90 HD22 ASN 90 -5.920 2.666 -10.163 711 2HD2 ASN 90 HD21 ASN 90 -6.105 3.422 -8.654 No H/Q in entry = 711 Start of MODEL 5 1 1H MET 1 HT3 MET 1 -3.945 15.128 6.162 2 2H MET 1 HT2 MET 1 -4.430 16.506 7.031 3 3H MET 1 HT1 MET 1 -4.304 15.004 7.815 4 HA MET 1 HA MET 1 -6.589 15.312 7.478 5 1HB MET 1 HB2 MET 1 -5.647 16.346 4.820 6 2HB MET 1 HB1 MET 1 -7.283 15.704 4.970 7 1HG MET 1 HG2 MET 1 -7.851 17.769 5.705 8 2HG MET 1 HG1 MET 1 -7.053 17.310 7.209 9 1HE MET 1 HE2 MET 1 -7.384 19.690 7.244 10 2HE MET 1 HE1 MET 1 -5.778 20.138 7.815 11 3HE MET 1 HE3 MET 1 -6.469 20.933 6.395 12 H SER 2 HN SER 2 -5.692 14.285 4.228 13 HA SER 2 HA SER 2 -5.386 11.489 4.844 14 1HB SER 2 HB2 SER 2 -8.122 12.501 4.092 15 2HB SER 2 HB1 SER 2 -7.617 10.873 3.649 16 HG SER 2 HG SER 2 -7.224 10.468 5.845 17 H SER 3 HN SER 3 -3.753 12.834 3.307 18 HA SER 3 HA SER 3 -4.583 12.201 0.499 19 1HB SER 3 HB2 SER 3 -3.478 14.125 -0.290 20 2HB SER 3 HB1 SER 3 -4.264 14.692 1.181 21 HG SER 3 HG SER 3 -2.138 15.337 1.256 22 H LEU 4 HN LEU 4 -2.778 10.983 2.881 23 HA LEU 4 HA LEU 4 -0.779 9.977 0.955 24 1HB LEU 4 HB2 LEU 4 0.905 10.199 2.914 25 2HB LEU 4 HB1 LEU 4 0.539 11.632 1.960 26 HG LEU 4 HG LEU 4 -1.371 11.282 4.124 27 1HD1 LEU 4 HD13 LEU 4 0.926 10.268 4.967 28 2HD1 LEU 4 HD12 LEU 4 1.378 11.967 5.103 29 3HD1 LEU 4 HD11 LEU 4 -0.007 11.348 6.003 30 1HD2 LEU 4 HD23 LEU 4 -0.401 13.324 2.609 31 2HD2 LEU 4 HD22 LEU 4 -1.222 13.564 4.151 32 3HD2 LEU 4 HD21 LEU 4 0.541 13.550 4.083 33 H VAL 5 HN VAL 5 0.374 8.049 1.831 34 HA VAL 5 HA VAL 5 -1.265 6.543 3.821 35 HB VAL 5 HB VAL 5 -1.088 4.598 2.424 36 1HG1 VAL 5 HG13 VAL 5 -2.788 6.443 1.876 37 2HG1 VAL 5 HG12 VAL 5 -1.735 6.830 0.514 38 3HG1 VAL 5 HG11 VAL 5 -2.484 5.237 0.626 39 1HG2 VAL 5 HG22 VAL 5 0.923 6.275 1.012 40 2HG2 VAL 5 HG21 VAL 5 0.950 4.546 1.360 41 3HG2 VAL 5 HG23 VAL 5 -0.028 5.162 0.028 42 H TYR 6 HN TYR 6 -0.020 4.624 4.653 43 HA TYR 6 HA TYR 6 2.924 4.860 4.450 44 1HB TYR 6 HB2 TYR 6 2.700 6.184 6.385 45 2HB TYR 6 HB1 TYR 6 1.289 5.292 6.943 46 HD1 TYR 6 HD1 TYR 6 4.562 3.965 5.751 47 HD2 TYR 6 HD2 TYR 6 1.919 4.508 9.089 48 HE1 TYR 6 HE1 TYR 6 6.028 2.529 7.141 49 HE2 TYR 6 HE2 TYR 6 3.384 3.072 10.483 50 HH TYR 6 HH TYR 6 5.070 1.229 10.079 51 H ILE 7 HN ILE 7 3.810 2.773 4.484 52 HA ILE 7 HA ILE 7 2.344 0.571 5.756 53 HB ILE 7 HB ILE 7 1.856 -0.671 3.776 54 1HG1 ILE 7 HG12 ILE 7 3.679 1.344 2.464 55 2HG1 ILE 7 HG11 ILE 7 3.779 -0.415 2.432 56 1HG2 ILE 7 HG23 ILE 7 0.260 1.170 4.194 57 2HG2 ILE 7 HG22 ILE 7 1.215 2.229 3.160 58 3HG2 ILE 7 HG21 ILE 7 0.405 0.824 2.476 59 1HD1 ILE 7 HD13 ILE 7 1.293 0.107 1.311 60 2HD1 ILE 7 HD12 ILE 7 2.311 1.396 0.668 61 3HD1 ILE 7 HD11 ILE 7 2.761 -0.291 0.420 62 H ALA 8 HN ALA 8 3.765 -1.075 6.291 63 HA ALA 8 HA ALA 8 6.429 -1.009 4.929 64 1HB ALA 8 HB3 ALA 8 5.720 -1.328 7.835 65 2HB ALA 8 HB2 ALA 8 7.178 -2.090 7.199 66 3HB ALA 8 HB1 ALA 8 6.984 -0.343 7.106 67 H PHE 9 HN PHE 9 7.409 -3.373 5.044 68 HA PHE 9 HA PHE 9 5.478 -5.509 5.373 69 1HB PHE 9 HB2 PHE 9 6.300 -4.467 2.670 70 2HB PHE 9 HB1 PHE 9 5.809 -6.133 2.897 71 HD1 PHE 9 HD2 PHE 9 3.650 -5.953 4.877 72 HD2 PHE 9 HD1 PHE 9 4.551 -3.380 1.557 73 HE1 PHE 9 HE2 PHE 9 1.275 -5.250 4.777 74 HE2 PHE 9 HE1 PHE 9 2.174 -2.677 1.460 75 HZ PHE 9 HZ PHE 9 0.536 -3.612 3.069 76 H GLN 10 HN GLN 10 6.502 -7.589 5.109 77 HA GLN 10 HA GLN 10 9.481 -7.486 4.922 78 1HB GLN 10 HB2 GLN 10 8.424 -8.031 7.233 79 2HB GLN 10 HB1 GLN 10 7.973 -9.571 6.504 80 1HG GLN 10 HG2 GLN 10 10.791 -8.457 6.651 81 2HG GLN 10 HG1 GLN 10 10.145 -9.740 7.675 82 1HE2 GLN 10 HE22 GLN 10 11.196 -10.565 3.810 83 2HE2 GLN 10 HE21 GLN 10 11.144 -8.959 4.356 84 H ASP 11 HN ASP 11 9.563 -8.078 2.739 85 HA ASP 11 HA ASP 11 8.259 -10.663 2.009 86 1HB ASP 11 HB2 ASP 11 8.876 -9.813 -0.373 87 2HB ASP 11 HB1 ASP 11 7.530 -9.042 0.466 88 H ASN 12 HN ASN 12 9.539 -12.374 1.363 89 HA ASN 12 HA ASN 12 12.416 -12.168 1.861 90 1HB ASN 12 HB2 ASN 12 10.632 -14.220 2.085 91 2HB ASN 12 HB1 ASN 12 11.364 -14.591 0.524 92 1HD2 ASN 12 HD22 ASN 12 14.687 -14.329 2.465 93 2HD2 ASN 12 HD21 ASN 12 13.937 -13.191 1.453 94 H ASP 13 HN ASP 13 10.366 -11.689 -0.815 95 HA ASP 13 HA ASP 13 12.211 -12.523 -2.885 96 1HB ASP 13 HB2 ASP 13 9.547 -11.644 -2.786 97 2HB ASP 13 HB1 ASP 13 10.403 -10.383 -3.673 98 H ASN 14 HN ASN 14 14.197 -11.544 -2.851 99 HA ASN 14 HA ASN 14 14.730 -8.917 -1.892 100 1HB ASN 14 HB2 ASN 14 16.557 -10.485 -2.131 101 2HB ASN 14 HB1 ASN 14 16.239 -10.667 -3.857 102 1HD2 ASN 14 HD22 ASN 14 18.760 -8.209 -4.297 103 2HD2 ASN 14 HD21 ASN 14 18.344 -9.842 -4.494 104 H ALA 15 HN ALA 15 13.164 -9.988 -4.718 105 HA ALA 15 HA ALA 15 13.917 -8.094 -6.641 106 1HB ALA 15 HB3 ALA 15 11.834 -9.972 -6.332 107 2HB ALA 15 HB2 ALA 15 11.045 -8.427 -6.650 108 3HB ALA 15 HB1 ALA 15 12.232 -9.061 -7.789 109 H ARG 16 HN ARG 16 11.618 -7.804 -3.967 110 HA ARG 16 HA ARG 16 10.639 -5.205 -4.534 111 1HB ARG 16 HB2 ARG 16 11.119 -6.664 -1.928 112 2HB ARG 16 HB1 ARG 16 10.353 -5.077 -1.998 113 1HG ARG 16 HG2 ARG 16 9.271 -7.137 -3.846 114 2HG ARG 16 HG1 ARG 16 8.950 -7.386 -2.129 115 1HD ARG 16 HD2 ARG 16 7.325 -5.836 -2.215 116 2HD ARG 16 HD1 ARG 16 8.513 -4.624 -2.697 117 HE ARG 16 HE ARG 16 7.972 -5.990 -5.045 118 1HH1 ARG 16 HH21 ARG 16 6.122 -4.393 -2.603 119 2HH1 ARG 16 HH22 ARG 16 4.864 -3.913 -3.692 120 1HH2 ARG 16 HH11 ARG 16 6.341 -5.369 -6.469 121 2HH2 ARG 16 HH12 ARG 16 4.988 -4.464 -5.879 122 H TYR 17 HN TYR 17 13.583 -6.278 -2.875 123 HA TYR 17 HA TYR 17 14.468 -3.746 -1.941 124 1HB TYR 17 HB2 TYR 17 15.452 -6.264 -1.758 125 2HB TYR 17 HB1 TYR 17 16.536 -5.608 -2.985 126 HD1 TYR 17 HD1 TYR 17 16.617 -2.743 -2.163 127 HD2 TYR 17 HD2 TYR 17 16.813 -6.332 0.187 128 HE1 TYR 17 HE1 TYR 17 17.863 -1.521 -0.403 129 HE2 TYR 17 HE2 TYR 17 18.061 -5.110 1.947 130 HH TYR 17 HH TYR 17 19.254 -3.197 2.361 131 H VAL 18 HN VAL 18 14.966 -5.370 -5.078 132 HA VAL 18 HA VAL 18 16.687 -3.469 -6.267 133 HB VAL 18 HB VAL 18 14.436 -5.057 -7.547 134 1HG1 VAL 18 HG11 VAL 18 16.076 -2.988 -8.614 135 2HG1 VAL 18 HG13 VAL 18 16.652 -4.514 -9.285 136 3HG1 VAL 18 HG12 VAL 18 14.963 -4.045 -9.484 137 1HG2 VAL 18 HG23 VAL 18 16.820 -5.908 -6.340 138 2HG2 VAL 18 HG22 VAL 18 15.817 -6.842 -7.449 139 3HG2 VAL 18 HG21 VAL 18 17.173 -5.899 -8.067 140 H VAL 19 HN VAL 19 13.108 -3.574 -6.359 141 HA VAL 19 HA VAL 19 12.799 -1.050 -7.668 142 HB VAL 19 HB VAL 19 10.904 -2.400 -5.719 143 1HG1 VAL 19 HG11 VAL 19 10.574 -0.238 -7.809 144 2HG1 VAL 19 HG13 VAL 19 9.209 -1.155 -7.172 145 3HG1 VAL 19 HG12 VAL 19 10.179 -0.153 -6.092 146 1HG2 VAL 19 HG21 VAL 19 11.843 -3.589 -7.921 147 2HG2 VAL 19 HG23 VAL 19 10.149 -3.733 -7.453 148 3HG2 VAL 19 HG22 VAL 19 10.627 -2.572 -8.692 149 H GLU 20 HN GLU 20 13.526 -1.918 -4.382 150 HA GLU 20 HA GLU 20 12.751 0.640 -3.226 151 1HB GLU 20 HB2 GLU 20 12.827 -1.249 -1.741 152 2HB GLU 20 HB1 GLU 20 14.478 -1.640 -2.226 153 1HG GLU 20 HG2 GLU 20 15.360 -0.149 -0.776 154 2HG GLU 20 HG1 GLU 20 14.228 1.110 -1.269 155 H ALA 21 HN ALA 21 15.589 -0.678 -4.786 156 HA ALA 21 HA ALA 21 17.436 1.346 -3.849 157 1HB ALA 21 HB2 ALA 21 18.005 -0.941 -4.910 158 2HB ALA 21 HB1 ALA 21 17.677 -0.162 -6.458 159 3HB ALA 21 HB3 ALA 21 18.971 0.442 -5.424 160 H ILE 22 HN ILE 22 15.470 0.915 -6.782 161 HA ILE 22 HA ILE 22 16.318 3.330 -8.075 162 HB ILE 22 HB ILE 22 13.580 2.055 -8.314 163 1HG1 ILE 22 HG12 ILE 22 16.240 1.225 -9.506 164 2HG1 ILE 22 HG11 ILE 22 15.147 0.243 -8.530 165 1HG2 ILE 22 HG21 ILE 22 14.052 4.252 -9.455 166 2HG2 ILE 22 HG23 ILE 22 15.326 3.443 -10.366 167 3HG2 ILE 22 HG22 ILE 22 13.647 2.942 -10.564 168 1HD1 ILE 22 HD12 ILE 22 13.417 0.478 -10.329 169 2HD1 ILE 22 HD11 ILE 22 14.618 1.308 -11.318 170 3HD1 ILE 22 HD13 ILE 22 14.864 -0.378 -10.863 171 H ILE 23 HN ILE 23 13.530 2.607 -5.966 172 HA ILE 23 HA ILE 23 12.330 5.159 -5.968 173 HB ILE 23 HB ILE 23 12.572 3.186 -3.674 174 1HG1 ILE 23 HG12 ILE 23 10.197 3.594 -5.486 175 2HG1 ILE 23 HG11 ILE 23 11.510 2.514 -5.957 176 1HG2 ILE 23 HG21 ILE 23 11.904 5.580 -3.096 177 2HG2 ILE 23 HG23 ILE 23 10.473 5.325 -4.094 178 3HG2 ILE 23 HG22 ILE 23 10.734 4.335 -2.658 179 1HD1 ILE 23 HD12 ILE 23 10.285 2.265 -3.224 180 2HD1 ILE 23 HD11 ILE 23 9.477 1.543 -4.615 181 3HD1 ILE 23 HD13 ILE 23 11.112 1.040 -4.186 182 H GLN 24 HN GLN 24 14.876 3.905 -3.780 183 HA GLN 24 HA GLN 24 15.202 6.349 -2.328 184 1HB GLN 24 HB2 GLN 24 17.183 4.122 -2.923 185 2HB GLN 24 HB1 GLN 24 17.477 5.429 -1.775 186 1HG GLN 24 HG2 GLN 24 15.793 4.694 -0.309 187 2HG GLN 24 HG1 GLN 24 14.993 3.741 -1.559 188 1HE2 GLN 24 HE22 GLN 24 18.568 2.029 -0.644 189 2HE2 GLN 24 HE21 GLN 24 18.493 3.590 -1.306 190 H ASP 25 HN ASP 25 16.469 5.205 -5.413 191 HA ASP 25 HA ASP 25 18.552 7.004 -5.893 192 1HB ASP 25 HB2 ASP 25 17.264 5.223 -7.456 193 2HB ASP 25 HB1 ASP 25 16.539 6.706 -8.076 194 H ASN 26 HN ASN 26 15.068 7.542 -5.922 195 HA ASN 26 HA ASN 26 15.316 10.333 -6.758 196 1HB ASN 26 HB2 ASN 26 12.959 8.869 -5.531 197 2HB ASN 26 HB1 ASN 26 12.904 10.428 -6.352 198 1HD2 ASN 26 HD22 ASN 26 13.104 6.993 -8.551 199 2HD2 ASN 26 HD21 ASN 26 13.282 6.942 -6.864 200 HA PRO 27 HA PRO 27 16.025 11.548 -2.587 201 1HB PRO 27 HB2 PRO 27 16.000 14.335 -3.278 202 2HB PRO 27 HB1 PRO 27 17.406 13.304 -2.977 203 1HG PRO 27 HG2 PRO 27 16.507 14.353 -5.500 204 2HG PRO 27 HG1 PRO 27 17.901 13.309 -5.194 205 1HD PRO 27 HD2 PRO 27 15.398 12.604 -6.441 206 2HD PRO 27 HD1 PRO 27 16.810 11.569 -6.161 207 H HIS 28 HN HIS 28 13.326 10.991 -3.201 208 HA HIS 28 HA HIS 28 11.993 13.046 -1.550 209 1HB HIS 28 HB2 HIS 28 11.810 13.431 -4.164 210 2HB HIS 28 HB1 HIS 28 10.588 12.169 -4.037 211 HD1 HIS 28 HD1 HIS 28 8.674 13.899 -4.514 212 HD2 HIS 28 HD2 HIS 28 10.884 14.714 -1.075 213 HE1 HIS 28 HE1 HIS 28 7.369 15.641 -3.220 214 H ALA 29 HN ALA 29 11.604 10.006 -3.387 215 HA ALA 29 HA ALA 29 9.329 9.043 -1.974 216 1HB ALA 29 HB3 ALA 29 11.604 7.557 -3.315 217 2HB ALA 29 HB2 ALA 29 10.148 6.771 -2.706 218 3HB ALA 29 HB1 ALA 29 10.032 7.949 -4.012 219 H VAL 30 HN VAL 30 9.142 7.783 -0.084 220 HA VAL 30 HA VAL 30 11.546 7.837 1.673 221 HB VAL 30 HB VAL 30 8.714 7.193 2.505 222 1HG1 VAL 30 HG13 VAL 30 11.132 7.061 3.845 223 2HG1 VAL 30 HG12 VAL 30 10.512 8.644 4.312 224 3HG1 VAL 30 HG11 VAL 30 9.549 7.197 4.610 225 1HG2 VAL 30 HG21 VAL 30 9.522 9.602 1.362 226 2HG2 VAL 30 HG23 VAL 30 8.119 9.374 2.406 227 3HG2 VAL 30 HG22 VAL 30 9.656 9.897 3.095 228 H VAL 31 HN VAL 31 12.414 5.936 2.489 229 HA VAL 31 HA VAL 31 11.021 3.406 2.425 230 HB VAL 31 HB VAL 31 13.257 2.835 0.761 231 1HG1 VAL 31 HG11 VAL 31 10.379 2.424 0.882 232 2HG1 VAL 31 HG13 VAL 31 10.934 2.625 -0.780 233 3HG1 VAL 31 HG12 VAL 31 11.632 1.364 0.236 234 1HG2 VAL 31 HG21 VAL 31 12.993 5.307 0.139 235 2HG2 VAL 31 HG23 VAL 31 12.903 4.160 -1.198 236 3HG2 VAL 31 HG22 VAL 31 11.427 4.866 -0.540 237 H GLN 32 HN GLN 32 12.572 1.605 3.086 238 HA GLN 32 HA GLN 32 15.107 2.552 4.271 239 1HB GLN 32 HB2 GLN 32 12.660 1.973 5.816 240 2HB GLN 32 HB1 GLN 32 14.103 1.142 6.398 241 1HG GLN 32 HG2 GLN 32 14.211 4.074 5.729 242 2HG GLN 32 HG1 GLN 32 13.602 3.539 7.296 243 1HE2 GLN 32 HE22 GLN 32 17.589 3.291 6.487 244 2HE2 GLN 32 HE21 GLN 32 16.492 3.774 5.285 245 H HIS 33 HN HIS 33 13.462 -0.307 5.441 246 HA HIS 33 HA HIS 33 14.013 -2.575 5.205 247 1HB HIS 33 HB2 HIS 33 13.100 -2.004 2.908 248 2HB HIS 33 HB1 HIS 33 14.767 -1.782 2.385 249 HD1 HIS 33 HD1 HIS 33 13.884 -4.460 4.856 250 HD2 HIS 33 HD2 HIS 33 14.729 -4.146 0.785 251 HE1 HIS 33 HE1 HIS 33 14.220 -6.824 4.009 252 H HIS 34 HN HIS 34 15.822 -3.180 6.324 253 HA HIS 34 HA HIS 34 18.413 -3.073 4.941 254 1HB HIS 34 HB2 HIS 34 17.723 -1.117 6.933 255 2HB HIS 34 HB1 HIS 34 19.008 -2.152 7.557 256 HD1 HIS 34 HD1 HIS 34 20.839 -0.341 7.264 257 HD2 HIS 34 HD2 HIS 34 18.899 -1.343 3.713 258 HE1 HIS 34 HE1 HIS 34 22.209 0.671 5.389 259 HA PRO 35 HA PRO 35 18.909 -5.778 8.777 260 1HB PRO 35 HB2 PRO 35 16.557 -5.935 10.381 261 2HB PRO 35 HB1 PRO 35 18.113 -5.222 10.830 262 1HG PRO 35 HG2 PRO 35 15.626 -3.863 10.224 263 2HG PRO 35 HG1 PRO 35 17.150 -3.165 10.790 264 1HD PRO 35 HD2 PRO 35 16.024 -2.991 8.161 265 2HD PRO 35 HD1 PRO 35 17.583 -2.358 8.716 266 H ALA 36 HN ALA 36 15.373 -6.040 8.880 267 HA ALA 36 HA ALA 36 15.466 -8.259 6.906 268 1HB ALA 36 HB1 ALA 36 15.124 -8.559 9.771 269 2HB ALA 36 HB3 ALA 36 13.690 -9.119 8.911 270 3HB ALA 36 HB2 ALA 36 15.269 -9.808 8.534 271 H MET 37 HN MET 37 13.280 -6.471 9.111 272 HA MET 37 HA MET 37 11.001 -6.751 7.340 273 1HB MET 37 HB2 MET 37 10.079 -4.873 8.844 274 2HB MET 37 HB1 MET 37 10.484 -6.397 9.634 275 1HG MET 37 HG2 MET 37 12.024 -5.384 10.923 276 2HG MET 37 HG1 MET 37 12.820 -4.702 9.505 277 1HE MET 37 HE2 MET 37 13.380 -2.842 9.450 278 2HE MET 37 HE1 MET 37 12.432 -1.357 9.454 279 3HE MET 37 HE3 MET 37 13.201 -1.924 10.943 280 H ILE 38 HN ILE 38 9.979 -4.939 6.161 281 HA ILE 38 HA ILE 38 11.989 -2.844 5.414 282 HB ILE 38 HB ILE 38 11.711 -3.203 3.184 283 1HG1 ILE 38 HG12 ILE 38 8.828 -3.524 3.909 284 2HG1 ILE 38 HG11 ILE 38 9.567 -2.487 2.701 285 1HG2 ILE 38 HG22 ILE 38 11.882 -5.529 4.535 286 2HG2 ILE 38 HG21 ILE 38 10.385 -5.820 3.650 287 3HG2 ILE 38 HG23 ILE 38 11.868 -5.444 2.774 288 1HD1 ILE 38 HD11 ILE 38 10.162 -4.888 1.622 289 2HD1 ILE 38 HD13 ILE 38 8.677 -5.317 2.473 290 3HD1 ILE 38 HD12 ILE 38 8.662 -4.031 1.267 291 H ARG 39 HN ARG 39 10.913 -0.829 4.493 292 HA ARG 39 HA ARG 39 8.215 -0.414 5.709 293 1HB ARG 39 HB2 ARG 39 10.641 1.389 5.921 294 2HB ARG 39 HB1 ARG 39 9.008 1.886 6.365 295 1HG ARG 39 HG2 ARG 39 9.042 0.693 8.297 296 2HG ARG 39 HG1 ARG 39 9.843 -0.685 7.540 297 1HD ARG 39 HD2 ARG 39 11.853 -0.014 8.289 298 2HD ARG 39 HD1 ARG 39 11.621 1.608 7.646 299 HE ARG 39 HE ARG 39 11.501 0.920 10.386 300 1HH1 ARG 39 HH21 ARG 39 9.584 2.603 8.039 301 2HH1 ARG 39 HH22 ARG 39 8.645 3.432 9.230 302 1HH2 ARG 39 HH11 ARG 39 10.298 2.022 11.925 303 2HH2 ARG 39 HH12 ARG 39 9.053 3.115 11.419 304 H ILE 40 HN ILE 40 6.996 1.339 4.711 305 HA ILE 40 HA ILE 40 8.050 2.502 2.224 306 HB ILE 40 HB ILE 40 5.473 0.950 2.083 307 1HG1 ILE 40 HG12 ILE 40 8.247 -0.061 1.380 308 2HG1 ILE 40 HG11 ILE 40 7.280 -0.618 2.747 309 1HG2 ILE 40 HG21 ILE 40 7.096 2.582 0.313 310 2HG2 ILE 40 HG23 ILE 40 6.861 0.967 -0.356 311 3HG2 ILE 40 HG22 ILE 40 5.465 1.958 0.066 312 1HD1 ILE 40 HD12 ILE 40 6.031 -0.671 0.032 313 2HD1 ILE 40 HD11 ILE 40 7.229 -1.906 0.417 314 3HD1 ILE 40 HD13 ILE 40 5.775 -1.749 1.403 315 H GLU 41 HN GLU 41 6.205 3.942 1.245 316 HA GLU 41 HA GLU 41 3.924 4.783 2.667 317 1HB GLU 41 HB2 GLU 41 5.443 5.316 4.531 318 2HB GLU 41 HB1 GLU 41 6.431 6.311 3.463 319 1HG GLU 41 HG2 GLU 41 4.005 7.422 3.013 320 2HG GLU 41 HG1 GLU 41 3.787 6.890 4.680 321 H ALA 42 HN ALA 42 2.933 6.505 1.543 322 HA ALA 42 HA ALA 42 4.578 7.970 -0.445 323 1HB ALA 42 HB3 ALA 42 2.861 5.771 -1.090 324 2HB ALA 42 HB2 ALA 42 2.137 7.246 -1.732 325 3HB ALA 42 HB1 ALA 42 3.780 6.798 -2.191 326 H GLU 43 HN GLU 43 2.439 9.174 -1.790 327 HA GLU 43 HA GLU 43 0.803 10.465 0.323 328 1HB GLU 43 HB2 GLU 43 2.488 11.958 -1.710 329 2HB GLU 43 HB1 GLU 43 1.360 12.700 -0.575 330 1HG GLU 43 HG2 GLU 43 3.049 12.804 0.911 331 2HG GLU 43 HG1 GLU 43 2.994 11.043 0.999 332 H LYS 44 HN LYS 44 -0.922 9.185 -0.753 333 HA LYS 44 HA LYS 44 -1.755 10.456 -3.326 334 1HB LYS 44 HB2 LYS 44 -2.458 7.599 -2.758 335 2HB LYS 44 HB1 LYS 44 -2.272 8.417 -4.306 336 1HG LYS 44 HG2 LYS 44 0.122 8.094 -2.518 337 2HG LYS 44 HG1 LYS 44 -0.422 6.737 -3.500 338 1HD LYS 44 HD2 LYS 44 -0.257 8.091 -5.529 339 2HD LYS 44 HD1 LYS 44 0.208 9.500 -4.575 340 1HE LYS 44 HE2 LYS 44 2.249 8.401 -3.848 341 2HE LYS 44 HE1 LYS 44 1.766 6.901 -4.639 342 1HZ LYS 44 HZ1 LYS 44 2.081 9.443 -6.122 343 2HZ LYS 44 HZ3 LYS 44 3.370 8.364 -5.891 344 3HZ LYS 44 HZ2 LYS 44 1.990 7.866 -6.748 345 H ARG 45 HN ARG 45 -4.187 9.178 -3.629 346 HA ARG 45 HA ARG 45 -5.799 9.334 -1.196 347 1HB ARG 45 HB2 ARG 45 -7.048 11.316 -1.775 348 2HB ARG 45 HB1 ARG 45 -5.339 11.758 -1.829 349 1HG ARG 45 HG2 ARG 45 -5.307 11.400 -4.265 350 2HG ARG 45 HG1 ARG 45 -7.007 10.933 -4.226 351 1HD ARG 45 HD2 ARG 45 -6.625 13.477 -2.887 352 2HD ARG 45 HD1 ARG 45 -5.983 13.540 -4.528 353 HE ARG 45 HE ARG 45 -8.460 12.337 -4.835 354 1HH1 ARG 45 HH21 ARG 45 -7.244 15.223 -3.377 355 2HH1 ARG 45 HH22 ARG 45 -8.690 16.130 -3.664 356 1HH2 ARG 45 HH11 ARG 45 -10.352 13.511 -5.209 357 2HH2 ARG 45 HH12 ARG 45 -10.447 15.164 -4.699 358 H LEU 46 HN LEU 46 -8.177 8.982 -1.803 359 HA LEU 46 HA LEU 46 -8.761 8.293 -4.562 360 1HB LEU 46 HB2 LEU 46 -7.534 6.305 -3.051 361 2HB LEU 46 HB1 LEU 46 -9.240 5.885 -3.028 362 HG LEU 46 HG LEU 46 -8.113 4.866 -4.971 363 1HD1 LEU 46 HD11 LEU 46 -10.507 6.075 -4.963 364 2HD1 LEU 46 HD13 LEU 46 -9.722 7.040 -6.213 365 3HD1 LEU 46 HD12 LEU 46 -9.855 5.292 -6.403 366 1HD2 LEU 46 HD23 LEU 46 -6.360 6.648 -5.191 367 2HD2 LEU 46 HD22 LEU 46 -7.141 6.246 -6.719 368 3HD2 LEU 46 HD21 LEU 46 -7.591 7.719 -5.862 369 H GLU 47 HN GLU 47 -10.997 7.878 -4.890 370 HA GLU 47 HA GLU 47 -12.755 7.882 -2.499 371 1HB GLU 47 HB2 GLU 47 -14.163 9.674 -3.492 372 2HB GLU 47 HB1 GLU 47 -12.542 10.255 -3.112 373 1HG GLU 47 HG2 GLU 47 -12.301 9.256 -5.701 374 2HG GLU 47 HG1 GLU 47 -13.873 10.057 -5.700 375 H ILE 48 HN ILE 48 -14.631 6.668 -2.873 376 HA ILE 48 HA ILE 48 -15.184 5.850 -5.674 377 HB ILE 48 HB ILE 48 -15.615 3.511 -4.551 378 1HG1 ILE 48 HG12 ILE 48 -13.418 4.612 -2.786 379 2HG1 ILE 48 HG11 ILE 48 -15.093 4.445 -2.260 380 1HG2 ILE 48 HG22 ILE 48 -12.960 4.709 -5.337 381 2HG2 ILE 48 HG21 ILE 48 -13.128 2.994 -4.964 382 3HG2 ILE 48 HG23 ILE 48 -14.028 3.696 -6.308 383 1HD1 ILE 48 HD13 ILE 48 -14.998 2.019 -2.786 384 2HD1 ILE 48 HD12 ILE 48 -13.301 2.201 -3.230 385 3HD1 ILE 48 HD11 ILE 48 -13.810 2.478 -1.565 386 H ARG 49 HN ARG 49 -17.343 4.798 -5.871 387 HA ARG 49 HA ARG 49 -19.276 6.115 -4.048 388 1HB ARG 49 HB2 ARG 49 -19.741 4.646 -6.663 389 2HB ARG 49 HB1 ARG 49 -20.935 5.598 -5.781 390 1HG ARG 49 HG2 ARG 49 -19.966 7.613 -6.356 391 2HG ARG 49 HG1 ARG 49 -18.351 6.918 -6.498 392 1HD ARG 49 HD2 ARG 49 -19.735 5.585 -8.466 393 2HD ARG 49 HD1 ARG 49 -20.465 7.186 -8.530 394 HE ARG 49 HE ARG 49 -17.923 6.509 -9.582 395 1HH1 ARG 49 HH21 ARG 49 -19.344 8.903 -7.519 396 2HH1 ARG 49 HH22 ARG 49 -18.019 10.001 -7.686 397 1HH2 ARG 49 HH11 ARG 49 -16.219 7.950 -9.814 398 2HH2 ARG 49 HH12 ARG 49 -16.262 9.470 -8.986 399 H ARG 50 HN ARG 50 -21.343 4.069 -4.838 400 HA ARG 50 HA ARG 50 -20.731 2.170 -2.670 401 1HB ARG 50 HB2 ARG 50 -23.045 3.381 -3.399 402 2HB ARG 50 HB1 ARG 50 -23.214 1.852 -4.263 403 1HG ARG 50 HG2 ARG 50 -22.292 0.998 -1.830 404 2HG ARG 50 HG1 ARG 50 -23.276 2.385 -1.364 405 1HD ARG 50 HD2 ARG 50 -24.841 1.120 -3.261 406 2HD ARG 50 HD1 ARG 50 -24.109 -0.231 -2.398 407 HE ARG 50 HE ARG 50 -26.248 1.344 -1.428 408 1HH1 ARG 50 HH21 ARG 50 -23.143 0.232 -0.362 409 2HH1 ARG 50 HH22 ARG 50 -23.481 0.530 1.306 410 1HH2 ARG 50 HH11 ARG 50 -26.686 1.700 0.742 411 2HH2 ARG 50 HH12 ARG 50 -25.479 1.343 1.932 412 H GLU 51 HN GLU 51 -21.342 2.096 -6.178 413 HA GLU 51 HA GLU 51 -21.354 -0.701 -6.554 414 1HB GLU 51 HB2 GLU 51 -21.728 1.159 -8.292 415 2HB GLU 51 HB1 GLU 51 -19.972 1.204 -8.445 416 1HG GLU 51 HG2 GLU 51 -19.980 -1.230 -8.958 417 2HG GLU 51 HG1 GLU 51 -21.743 -1.217 -8.889 418 H THR 52 HN THR 52 -18.684 1.507 -5.954 419 HA THR 52 HA THR 52 -16.563 -0.265 -6.679 420 HB THR 52 HB THR 52 -16.230 1.561 -4.336 421 HG1 THR 52 HG1 THR 52 -17.350 2.968 -5.479 422 1HG2 THR 52 HG22 THR 52 -14.583 0.204 -6.169 423 2HG2 THR 52 HG21 THR 52 -14.468 1.909 -6.605 424 3HG2 THR 52 HG23 THR 52 -14.078 1.389 -4.966 425 H VAL 53 HN VAL 53 -18.402 0.156 -3.664 426 HA VAL 53 HA VAL 53 -16.974 -1.499 -1.933 427 HB VAL 53 HB VAL 53 -19.988 -1.629 -2.274 428 1HG1 VAL 53 HG11 VAL 53 -18.271 -2.962 -0.544 429 2HG1 VAL 53 HG13 VAL 53 -18.837 -1.595 0.416 430 3HG1 VAL 53 HG12 VAL 53 -20.000 -2.716 -0.292 431 1HG2 VAL 53 HG22 VAL 53 -18.214 0.567 -1.414 432 2HG2 VAL 53 HG21 VAL 53 -19.892 0.623 -1.952 433 3HG2 VAL 53 HG23 VAL 53 -19.515 0.200 -0.282 434 H GLU 54 HN GLU 54 -18.943 -2.361 -4.707 435 HA GLU 54 HA GLU 54 -18.898 -5.219 -4.212 436 1HB GLU 54 HB2 GLU 54 -20.607 -4.487 -5.696 437 2HB GLU 54 HB1 GLU 54 -19.484 -3.503 -6.633 438 1HG GLU 54 HG2 GLU 54 -18.769 -5.271 -7.880 439 2HG GLU 54 HG1 GLU 54 -18.818 -6.382 -6.511 440 H GLU 55 HN GLU 55 -17.018 -2.973 -6.244 441 HA GLU 55 HA GLU 55 -15.273 -4.834 -7.439 442 1HB GLU 55 HB2 GLU 55 -14.566 -2.066 -6.415 443 2HB GLU 55 HB1 GLU 55 -13.673 -2.979 -7.630 444 1HG GLU 55 HG2 GLU 55 -16.486 -1.887 -7.851 445 2HG GLU 55 HG1 GLU 55 -15.084 -1.456 -8.832 446 H ASN 56 HN ASN 56 -14.702 -3.057 -4.359 447 HA ASN 56 HA ASN 56 -12.315 -4.386 -3.647 448 1HB ASN 56 HB2 ASN 56 -14.227 -2.658 -2.364 449 2HB ASN 56 HB1 ASN 56 -13.795 -3.964 -1.262 450 1HD2 ASN 56 HD22 ASN 56 -10.189 -3.030 -1.649 451 2HD2 ASN 56 HD21 ASN 56 -11.103 -4.421 -1.983 452 H LEU 57 HN LEU 57 -15.690 -5.379 -3.270 453 HA LEU 57 HA LEU 57 -15.316 -7.570 -1.517 454 1HB LEU 57 HB2 LEU 57 -17.550 -6.824 -2.162 455 2HB LEU 57 HB1 LEU 57 -17.248 -7.281 -3.838 456 HG LEU 57 HG LEU 57 -16.712 -9.640 -2.766 457 1HD1 LEU 57 HD12 LEU 57 -18.334 -8.183 -0.684 458 2HD1 LEU 57 HD11 LEU 57 -18.442 -9.935 -0.855 459 3HD1 LEU 57 HD13 LEU 57 -16.897 -9.181 -0.459 460 1HD2 LEU 57 HD21 LEU 57 -19.326 -8.347 -3.456 461 2HD2 LEU 57 HD23 LEU 57 -18.463 -9.639 -4.291 462 3HD2 LEU 57 HD22 LEU 57 -19.346 -9.986 -2.805 463 H GLY 58 HN GLY 58 -15.347 -7.609 -5.105 464 1HA GLY 58 HA2 GLY 58 -14.414 -10.345 -5.238 465 2HA GLY 58 HA1 GLY 58 -14.456 -9.207 -6.587 466 H ARG 59 HN ARG 59 -12.878 -7.447 -4.440 467 HA ARG 59 HA ARG 59 -10.212 -8.544 -5.242 468 1HB ARG 59 HB2 ARG 59 -11.119 -6.153 -5.969 469 2HB ARG 59 HB1 ARG 59 -10.565 -5.706 -4.356 470 1HG ARG 59 HG2 ARG 59 -8.332 -6.253 -4.829 471 2HG ARG 59 HG1 ARG 59 -8.774 -7.279 -6.195 472 1HD ARG 59 HD2 ARG 59 -9.800 -4.827 -6.928 473 2HD ARG 59 HD1 ARG 59 -8.311 -4.375 -6.104 474 HE ARG 59 HE ARG 59 -8.464 -5.437 -8.726 475 1HH1 ARG 59 HH21 ARG 59 -6.751 -6.018 -5.770 476 2HH1 ARG 59 HH22 ARG 59 -5.509 -6.943 -6.537 477 1HH2 ARG 59 HH11 ARG 59 -6.836 -6.616 -9.716 478 2HH2 ARG 59 HH12 ARG 59 -5.548 -7.273 -8.762 479 H ALA 60 HN ALA 60 -12.203 -8.549 -2.678 480 HA ALA 60 HA ALA 60 -10.373 -7.639 -0.589 481 1HB ALA 60 HB1 ALA 60 -13.018 -9.097 -0.588 482 2HB ALA 60 HB3 ALA 60 -12.097 -8.855 0.897 483 3HB ALA 60 HB2 ALA 60 -12.669 -7.464 -0.023 484 H TRP 61 HN TRP 61 -10.859 -10.544 -2.387 485 HA TRP 61 HA TRP 61 -9.529 -12.219 -0.351 486 1HB TRP 61 HB2 TRP 61 -11.414 -12.820 -2.222 487 2HB TRP 61 HB1 TRP 61 -9.947 -13.297 -3.077 488 HD1 TRP 61 HD1 TRP 61 -8.461 -14.022 -0.193 489 HE1 TRP 61 HE1 TRP 61 -9.013 -16.317 0.844 490 HE3 TRP 61 HE3 TRP 61 -12.836 -15.060 -2.619 491 HZ2 TRP 61 HZ2 TRP 61 -11.038 -18.326 0.667 492 HZ3 TRP 61 HZ3 TRP 61 -14.054 -17.170 -2.164 493 HH2 TRP 61 HH2 TRP 61 -13.161 -18.803 -0.525 494 H ASP 62 HN ASP 62 -8.212 -9.912 -1.808 495 HA ASP 62 HA ASP 62 -5.984 -11.429 -3.098 496 1HB ASP 62 HB2 ASP 62 -7.150 -8.703 -3.530 497 2HB ASP 62 HB1 ASP 62 -5.428 -8.931 -3.833 498 H VAL 63 HN VAL 63 -6.229 -11.287 -0.259 499 HA VAL 63 HA VAL 63 -4.327 -9.194 0.608 500 HB VAL 63 HB VAL 63 -5.406 -11.361 2.392 501 1HG1 VAL 63 HG12 VAL 63 -4.239 -8.644 2.630 502 2HG1 VAL 63 HG11 VAL 63 -5.570 -9.004 3.730 503 3HG1 VAL 63 HG13 VAL 63 -4.129 -10.019 3.729 504 1HG2 VAL 63 HG22 VAL 63 -6.964 -9.418 0.864 505 2HG2 VAL 63 HG21 VAL 63 -7.521 -10.775 1.843 506 3HG2 VAL 63 HG23 VAL 63 -7.181 -9.220 2.603 507 H GLN 64 HN GLN 64 -4.110 -12.258 -0.704 508 HA GLN 64 HA GLN 64 -2.240 -13.657 0.837 509 1HB GLN 64 HB2 GLN 64 -2.604 -13.384 -2.141 510 2HB GLN 64 HB1 GLN 64 -1.289 -14.361 -1.485 511 1HG GLN 64 HG2 GLN 64 -3.220 -15.795 -1.864 512 2HG GLN 64 HG1 GLN 64 -2.968 -15.624 -0.126 513 1HE2 GLN 64 HE22 GLN 64 -6.196 -14.334 0.365 514 2HE2 GLN 64 HE21 GLN 64 -4.855 -15.157 1.001 515 H GLU 65 HN GLU 65 -1.813 -10.695 -0.952 516 HA GLU 65 HA GLU 65 1.053 -10.760 -1.143 517 1HB GLU 65 HB2 GLU 65 -0.903 -8.446 -1.038 518 2HB GLU 65 HB1 GLU 65 0.821 -8.258 -1.362 519 1HG GLU 65 HG2 GLU 65 -1.098 -9.947 -2.994 520 2HG GLU 65 HG1 GLU 65 -0.469 -8.367 -3.465 521 H MET 66 HN MET 66 -1.159 -9.405 1.305 522 HA MET 66 HA MET 66 0.823 -8.266 2.993 523 1HB MET 66 HB2 MET 66 -2.003 -8.951 3.172 524 2HB MET 66 HB1 MET 66 -1.171 -9.227 4.702 525 1HG MET 66 HG2 MET 66 -0.233 -6.931 4.587 526 2HG MET 66 HG1 MET 66 -1.126 -6.658 3.091 527 1HE MET 66 HE3 MET 66 -1.631 -8.225 6.603 528 2HE MET 66 HE2 MET 66 -1.106 -6.563 6.862 529 3HE MET 66 HE1 MET 66 -2.722 -7.055 7.359 530 H LEU 67 HN LEU 67 0.123 -11.551 2.299 531 HA LEU 67 HA LEU 67 1.099 -12.644 4.823 532 1HB LEU 67 HB2 LEU 67 -0.426 -14.020 3.599 533 2HB LEU 67 HB1 LEU 67 0.505 -13.848 2.111 534 HG LEU 67 HG LEU 67 2.316 -15.162 2.999 535 1HD1 LEU 67 HD13 LEU 67 0.861 -14.707 5.581 536 2HD1 LEU 67 HD12 LEU 67 1.833 -16.166 5.400 537 3HD1 LEU 67 HD11 LEU 67 2.585 -14.580 5.234 538 1HD2 LEU 67 HD21 LEU 67 -0.453 -16.172 3.090 539 2HD2 LEU 67 HD23 LEU 67 0.961 -16.842 2.277 540 3HD2 LEU 67 HD22 LEU 67 0.701 -17.154 3.993 541 H VAL 68 HN VAL 68 2.418 -12.507 1.496 542 HA VAL 68 HA VAL 68 4.994 -13.544 2.230 543 HB VAL 68 HB VAL 68 4.626 -11.662 -0.083 544 1HG1 VAL 68 HG12 VAL 68 6.088 -14.285 0.344 545 2HG1 VAL 68 HG11 VAL 68 6.067 -13.384 -1.172 546 3HG1 VAL 68 HG13 VAL 68 6.819 -12.682 0.260 547 1HG2 VAL 68 HG23 VAL 68 3.182 -14.212 0.431 548 2HG2 VAL 68 HG22 VAL 68 2.720 -12.843 -0.581 549 3HG2 VAL 68 HG21 VAL 68 3.886 -14.026 -1.175 550 H ASP 69 HN ASP 69 3.991 -10.184 1.483 551 HA ASP 69 HA ASP 69 6.455 -9.224 2.844 552 1HB ASP 69 HB2 ASP 69 4.656 -7.203 1.686 553 2HB ASP 69 HB1 ASP 69 6.383 -7.439 1.442 554 H VAL 70 HN VAL 70 5.680 -9.674 5.016 555 HA VAL 70 HA VAL 70 3.316 -8.085 5.921 556 HB VAL 70 HB VAL 70 3.329 -10.440 6.559 557 1HG1 VAL 70 HG11 VAL 70 6.126 -9.890 6.817 558 2HG1 VAL 70 HG13 VAL 70 5.544 -10.424 8.393 559 3HG1 VAL 70 HG12 VAL 70 5.317 -11.448 6.975 560 1HG2 VAL 70 HG22 VAL 70 4.071 -8.607 8.871 561 2HG2 VAL 70 HG21 VAL 70 2.455 -8.773 8.184 562 3HG2 VAL 70 HG23 VAL 70 3.203 -10.135 9.018 563 H ILE 71 HN ILE 71 3.489 -6.485 7.483 564 HA ILE 71 HA ILE 71 5.466 -6.164 9.434 565 HB ILE 71 HB ILE 71 6.118 -4.565 6.949 566 1HG1 ILE 71 HG12 ILE 71 7.589 -6.413 7.052 567 2HG1 ILE 71 HG11 ILE 71 8.490 -5.144 7.855 568 1HG2 ILE 71 HG21 ILE 71 6.729 -3.957 9.842 569 2HG2 ILE 71 HG23 ILE 71 7.684 -3.294 8.519 570 3HG2 ILE 71 HG22 ILE 71 5.975 -2.905 8.656 571 1HD1 ILE 71 HD12 ILE 71 7.349 -6.030 10.030 572 2HD1 ILE 71 HD11 ILE 71 7.078 -7.495 9.091 573 3HD1 ILE 71 HD13 ILE 71 8.719 -6.915 9.363 574 H THR 72 HN THR 72 4.457 -3.388 7.432 575 HA THR 72 HA THR 72 2.382 -2.783 9.482 576 HB THR 72 HB THR 72 4.077 -0.600 8.327 577 HG1 THR 72 HG1 THR 72 4.644 -1.867 10.777 578 1HG2 THR 72 HG21 THR 72 2.001 -0.902 10.352 579 2HG2 THR 72 HG23 THR 72 3.438 -0.104 10.992 580 3HG2 THR 72 HG22 THR 72 2.612 0.563 9.584 581 H ILE 73 HN ILE 73 1.065 -0.770 8.730 582 HA ILE 73 HA ILE 73 0.734 -0.440 5.854 583 HB ILE 73 HB ILE 73 -1.804 -1.351 7.080 584 1HG1 ILE 73 HG12 ILE 73 0.274 -3.414 6.299 585 2HG1 ILE 73 HG11 ILE 73 -0.040 -2.964 7.976 586 1HG2 ILE 73 HG21 ILE 73 -1.395 -0.683 4.668 587 2HG2 ILE 73 HG23 ILE 73 -0.436 -2.153 4.500 588 3HG2 ILE 73 HG22 ILE 73 -2.155 -2.260 4.883 589 1HD1 ILE 73 HD13 ILE 73 -2.567 -3.426 6.784 590 2HD1 ILE 73 HD12 ILE 73 -1.529 -4.764 6.293 591 3HD1 ILE 73 HD11 ILE 73 -1.760 -4.409 8.005 592 H GLY 74 HN GLY 74 -1.023 1.217 5.445 593 1HA GLY 74 HA2 GLY 74 -2.367 2.593 7.546 594 2HA GLY 74 HA1 GLY 74 -0.832 3.406 7.239 595 H GLY 75 HN GLY 75 -2.751 1.758 4.795 596 1HA GLY 75 HA2 GLY 75 -3.945 4.198 3.748 597 2HA GLY 75 HA1 GLY 75 -2.598 3.613 2.771 598 H ASN 76 HN ASN 76 -5.806 2.783 3.986 599 HA ASN 76 HA ASN 76 -6.005 0.763 1.793 600 1HB ASN 76 HB2 ASN 76 -7.248 0.531 4.543 601 2HB ASN 76 HB1 ASN 76 -7.307 -0.673 3.256 602 1HD2 ASN 76 HD22 ASN 76 -4.409 -1.195 5.762 603 2HD2 ASN 76 HD21 ASN 76 -6.003 -0.694 6.063 604 H VAL 77 HN VAL 77 -8.854 0.443 3.064 605 HA VAL 77 HA VAL 77 -9.988 2.847 1.704 606 HB VAL 77 HB VAL 77 -10.451 0.811 0.427 607 1HG1 VAL 77 HG12 VAL 77 -10.191 -0.701 2.452 608 2HG1 VAL 77 HG11 VAL 77 -11.831 -0.240 2.909 609 3HG1 VAL 77 HG13 VAL 77 -11.545 -1.098 1.395 610 1HG2 VAL 77 HG21 VAL 77 -12.693 2.122 1.937 611 2HG2 VAL 77 HG23 VAL 77 -12.291 2.234 0.224 612 3HG2 VAL 77 HG22 VAL 77 -13.055 0.777 0.856 613 H ASP 78 HN ASP 78 -11.195 4.137 2.971 614 HA ASP 78 HA ASP 78 -12.055 3.071 5.620 615 1HB ASP 78 HB2 ASP 78 -12.208 5.983 5.041 616 2HB ASP 78 HB1 ASP 78 -11.681 5.150 6.498 617 H GLU 79 HN GLU 79 -14.211 3.394 6.320 618 HA GLU 79 HA GLU 79 -16.137 3.955 4.112 619 1HB GLU 79 HB2 GLU 79 -17.787 2.871 5.741 620 2HB GLU 79 HB1 GLU 79 -16.548 1.805 5.079 621 1HG GLU 79 HG2 GLU 79 -15.649 3.166 7.502 622 2HG GLU 79 HG1 GLU 79 -17.090 2.188 7.782 623 H ASP 80 HN ASP 80 -17.461 5.742 4.260 624 HA ASP 80 HA ASP 80 -17.186 7.389 6.733 625 1HB ASP 80 HB2 ASP 80 -17.594 8.020 3.841 626 2HB ASP 80 HB1 ASP 80 -18.280 9.125 5.033 627 H ASP 81 HN ASP 81 -19.765 7.904 4.426 628 HA ASP 81 HA ASP 81 -21.708 7.203 6.579 629 1HB ASP 81 HB2 ASP 81 -21.936 9.490 5.885 630 2HB ASP 81 HB1 ASP 81 -21.898 9.038 4.182 631 H ASP 82 HN ASP 82 -22.089 7.381 3.037 632 HA ASP 82 HA ASP 82 -23.116 4.569 3.134 633 1HB ASP 82 HB2 ASP 82 -24.162 7.023 1.745 634 2HB ASP 82 HB1 ASP 82 -24.453 5.433 1.037 635 H ARG 83 HN ARG 83 -21.275 7.006 1.425 636 HA ARG 83 HA ARG 83 -20.628 5.243 -0.818 637 1HB ARG 83 HB2 ARG 83 -20.161 8.037 -0.036 638 2HB ARG 83 HB1 ARG 83 -18.783 7.294 -0.841 639 1HG ARG 83 HG2 ARG 83 -20.144 8.223 -2.581 640 2HG ARG 83 HG1 ARG 83 -20.425 6.482 -2.620 641 1HD ARG 83 HD2 ARG 83 -22.286 7.398 -0.777 642 2HD ARG 83 HD1 ARG 83 -22.291 8.656 -2.011 643 HE ARG 83 HE ARG 83 -23.531 6.122 -2.261 644 1HH1 ARG 83 HH21 ARG 83 -21.347 8.147 -4.030 645 2HH1 ARG 83 HH22 ARG 83 -21.612 7.322 -5.526 646 1HH2 ARG 83 HH11 ARG 83 -23.887 5.072 -4.209 647 2HH2 ARG 83 HH12 ARG 83 -23.048 5.593 -5.631 648 H PHE 84 HN PHE 84 -17.937 5.440 -1.170 649 HA PHE 84 HA PHE 84 -16.720 4.472 1.378 650 1HB PHE 84 HB2 PHE 84 -17.407 2.825 -0.806 651 2HB PHE 84 HB1 PHE 84 -15.661 3.049 -0.913 652 HD1 PHE 84 HD1 PHE 84 -14.326 2.788 1.327 653 HD2 PHE 84 HD2 PHE 84 -18.276 1.241 0.681 654 HE1 PHE 84 HE1 PHE 84 -14.006 1.199 3.203 655 HE2 PHE 84 HE2 PHE 84 -17.960 -0.351 2.556 656 HZ PHE 84 HZ PHE 84 -15.824 -0.372 3.817 657 H VAL 85 HN VAL 85 -14.341 4.615 1.343 658 HA VAL 85 HA VAL 85 -13.213 6.282 -0.833 659 HB VAL 85 HB VAL 85 -14.082 7.692 1.195 660 1HG1 VAL 85 HG11 VAL 85 -12.548 5.914 2.625 661 2HG1 VAL 85 HG13 VAL 85 -11.436 7.270 2.438 662 3HG1 VAL 85 HG12 VAL 85 -13.007 7.516 3.200 663 1HG2 VAL 85 HG21 VAL 85 -12.472 8.348 -0.700 664 2HG2 VAL 85 HG23 VAL 85 -12.364 9.291 0.787 665 3HG2 VAL 85 HG22 VAL 85 -11.172 8.036 0.450 666 H LEU 86 HN LEU 86 -10.773 6.469 -0.491 667 HA LEU 86 HA LEU 86 -9.363 4.739 1.245 668 1HB LEU 86 HB2 LEU 86 -8.656 3.105 -0.503 669 2HB LEU 86 HB1 LEU 86 -10.341 2.926 -0.045 670 HG LEU 86 HG LEU 86 -10.429 4.785 -2.073 671 1HD1 LEU 86 HD12 LEU 86 -8.383 2.638 -2.723 672 2HD1 LEU 86 HD11 LEU 86 -9.098 3.737 -3.902 673 3HD1 LEU 86 HD13 LEU 86 -8.074 4.368 -2.616 674 1HD2 LEU 86 HD22 LEU 86 -11.686 2.510 -1.511 675 2HD2 LEU 86 HD21 LEU 86 -11.719 3.183 -3.140 676 3HD2 LEU 86 HD23 LEU 86 -10.604 1.875 -2.748 677 H GLU 87 HN GLU 87 -7.119 4.236 -0.299 678 HA GLU 87 HA GLU 87 -6.470 6.957 -1.349 679 1HB GLU 87 HB2 GLU 87 -5.361 6.049 0.854 680 2HB GLU 87 HB1 GLU 87 -4.311 5.202 -0.275 681 1HG GLU 87 HG2 GLU 87 -3.179 7.106 -0.661 682 2HG GLU 87 HG1 GLU 87 -4.664 7.880 -1.205 683 H TRP 88 HN TRP 88 -4.425 6.857 -2.743 684 HA TRP 88 HA TRP 88 -5.044 5.155 -4.974 685 1HB TRP 88 HB2 TRP 88 -3.787 7.503 -4.813 686 2HB TRP 88 HB1 TRP 88 -2.368 6.454 -4.817 687 HD1 TRP 88 HD1 TRP 88 -4.885 4.631 -6.677 688 HE1 TRP 88 HE1 TRP 88 -4.622 4.966 -9.216 689 HE3 TRP 88 HE3 TRP 88 -1.752 8.672 -6.725 690 HZ2 TRP 88 HZ2 TRP 88 -3.270 6.711 -11.031 691 HZ3 TRP 88 HZ3 TRP 88 -0.997 9.647 -8.875 692 HH2 TRP 88 HH2 TRP 88 -1.751 8.672 -11.026 693 H LYS 89 HN LYS 89 -4.296 3.111 -5.385 694 HA LYS 89 HA LYS 89 -2.121 2.076 -3.620 695 1HB LYS 89 HB2 LYS 89 -4.599 0.918 -4.740 696 2HB LYS 89 HB1 LYS 89 -3.190 -0.141 -4.810 697 1HG LYS 89 HG2 LYS 89 -2.998 -0.273 -2.516 698 2HG LYS 89 HG1 LYS 89 -3.684 1.332 -2.261 699 1HD LYS 89 HD2 LYS 89 -5.916 0.445 -2.935 700 2HD LYS 89 HD1 LYS 89 -5.207 -1.165 -3.060 701 1HE LYS 89 HE2 LYS 89 -5.304 0.543 -0.556 702 2HE LYS 89 HE1 LYS 89 -6.288 -0.885 -0.874 703 1HZ LYS 89 HZ2 LYS 89 -4.233 -2.181 -1.056 704 2HZ LYS 89 HZ1 LYS 89 -3.329 -0.802 -0.647 705 3HZ LYS 89 HZ3 LYS 89 -4.405 -1.472 0.478 706 H ASN 90 HN ASN 90 -0.558 0.583 -4.640 707 HA ASN 90 HA ASN 90 0.309 1.599 -7.242 708 1HB ASN 90 HB2 ASN 90 1.945 1.041 -5.466 709 2HB ASN 90 HB1 ASN 90 1.438 -0.646 -5.541 710 1HD2 ASN 90 HD22 ASN 90 3.355 -1.360 -8.420 711 2HD2 ASN 90 HD21 ASN 90 2.289 -1.948 -7.237 No H/Q in entry = 711 Start of MODEL 6 1 1H MET 1 HT3 MET 1 5.216 17.606 1.457 2 2H MET 1 HT2 MET 1 5.503 18.714 2.713 3 3H MET 1 HT1 MET 1 6.143 17.142 2.799 4 HA MET 1 HA MET 1 3.981 16.186 3.031 5 1HB MET 1 HB2 MET 1 4.800 18.443 4.819 6 2HB MET 1 HB1 MET 1 3.225 17.696 5.087 7 1HG MET 1 HG2 MET 1 4.513 16.298 6.392 8 2HG MET 1 HG1 MET 1 4.666 15.458 4.849 9 1HE MET 1 HE2 MET 1 6.070 15.457 7.413 10 2HE MET 1 HE1 MET 1 7.751 15.166 6.974 11 3HE MET 1 HE3 MET 1 7.283 16.694 7.733 12 H SER 2 HN SER 2 3.492 17.699 0.735 13 HA SER 2 HA SER 2 1.267 19.543 1.364 14 1HB SER 2 HB2 SER 2 1.202 19.575 -1.258 15 2HB SER 2 HB1 SER 2 2.523 20.386 -0.422 16 HG SER 2 HG SER 2 3.585 19.124 -1.799 17 H SER 3 HN SER 3 1.832 16.354 -0.036 18 HA SER 3 HA SER 3 -0.812 15.433 0.605 19 1HB SER 3 HB2 SER 3 -1.153 15.052 -2.070 20 2HB SER 3 HB1 SER 3 -1.877 16.384 -1.174 21 HG SER 3 HG SER 3 0.654 16.428 -2.470 22 H LEU 4 HN LEU 4 0.389 13.642 1.417 23 HA LEU 4 HA LEU 4 1.420 11.858 -0.720 24 1HB LEU 4 HB2 LEU 4 3.160 11.217 1.180 25 2HB LEU 4 HB1 LEU 4 3.483 12.550 0.074 26 HG LEU 4 HG LEU 4 2.467 14.113 1.745 27 1HD1 LEU 4 HD13 LEU 4 1.904 11.534 3.043 28 2HD1 LEU 4 HD12 LEU 4 2.608 12.733 4.127 29 3HD1 LEU 4 HD11 LEU 4 1.116 13.096 3.260 30 1HD2 LEU 4 HD22 LEU 4 4.818 12.387 2.559 31 2HD2 LEU 4 HD21 LEU 4 4.857 13.959 1.762 32 3HD2 LEU 4 HD23 LEU 4 4.357 13.838 3.449 33 H VAL 5 HN VAL 5 1.429 9.603 -0.143 34 HA VAL 5 HA VAL 5 -0.519 8.971 2.030 35 HB VAL 5 HB VAL 5 -1.451 7.347 0.670 36 1HG1 VAL 5 HG11 VAL 5 -1.061 9.777 -0.513 37 2HG1 VAL 5 HG13 VAL 5 -0.422 8.682 -1.738 38 3HG1 VAL 5 HG12 VAL 5 -2.084 8.500 -1.173 39 1HG2 VAL 5 HG21 VAL 5 1.332 7.043 -0.332 40 2HG2 VAL 5 HG23 VAL 5 0.149 5.803 0.085 41 3HG2 VAL 5 HG22 VAL 5 0.045 6.635 -1.467 42 H TYR 6 HN TYR 6 -0.118 6.369 2.488 43 HA TYR 6 HA TYR 6 2.786 5.847 2.621 44 1HB TYR 6 HB2 TYR 6 2.790 6.770 4.731 45 2HB TYR 6 HB1 TYR 6 1.051 6.587 4.924 46 HD1 TYR 6 HD1 TYR 6 3.682 4.048 4.149 47 HD2 TYR 6 HD2 TYR 6 0.724 5.417 6.927 48 HE1 TYR 6 HE1 TYR 6 4.047 2.033 5.513 49 HE2 TYR 6 HE2 TYR 6 1.088 3.395 8.309 50 HH TYR 6 HH TYR 6 1.996 1.282 8.273 51 H ILE 7 HN ILE 7 3.147 3.613 2.503 52 HA ILE 7 HA ILE 7 0.852 1.778 2.935 53 HB ILE 7 HB ILE 7 1.607 0.663 0.731 54 1HG1 ILE 7 HG12 ILE 7 2.370 3.386 -0.175 55 2HG1 ILE 7 HG11 ILE 7 3.570 2.525 0.791 56 1HG2 ILE 7 HG23 ILE 7 0.037 3.199 1.054 57 2HG2 ILE 7 HG22 ILE 7 0.266 2.524 -0.559 58 3HG2 ILE 7 HG21 ILE 7 -0.541 1.573 0.687 59 1HD1 ILE 7 HD13 ILE 7 2.354 0.780 -1.197 60 2HD1 ILE 7 HD12 ILE 7 3.102 2.191 -1.947 61 3HD1 ILE 7 HD11 ILE 7 4.059 1.130 -0.913 62 H ALA 8 HN ALA 8 1.569 -0.154 3.913 63 HA ALA 8 HA ALA 8 4.433 -0.832 3.550 64 1HB ALA 8 HB3 ALA 8 3.134 -0.124 6.161 65 2HB ALA 8 HB2 ALA 8 4.465 -1.281 6.119 66 3HB ALA 8 HB1 ALA 8 4.706 0.361 5.535 67 H PHE 9 HN PHE 9 4.893 -3.017 3.846 68 HA PHE 9 HA PHE 9 2.640 -4.782 4.571 69 1HB PHE 9 HB2 PHE 9 2.923 -6.109 2.653 70 2HB PHE 9 HB1 PHE 9 2.983 -4.472 2.032 71 HD1 PHE 9 HD2 PHE 9 5.261 -3.402 1.648 72 HD2 PHE 9 HD1 PHE 9 4.737 -7.598 2.382 73 HE1 PHE 9 HE2 PHE 9 7.506 -3.849 0.703 74 HE2 PHE 9 HE1 PHE 9 6.982 -8.044 1.438 75 HZ PHE 9 HZ PHE 9 8.369 -6.170 0.593 76 H GLN 10 HN GLN 10 3.682 -7.136 4.737 77 HA GLN 10 HA GLN 10 6.463 -6.945 5.751 78 1HB GLN 10 HB2 GLN 10 4.618 -6.708 7.610 79 2HB GLN 10 HB1 GLN 10 4.420 -8.443 7.380 80 1HG GLN 10 HG2 GLN 10 6.902 -6.966 8.256 81 2HG GLN 10 HG1 GLN 10 6.019 -8.217 9.127 82 1HE2 GLN 10 HE22 GLN 10 8.535 -9.301 6.069 83 2HE2 GLN 10 HE21 GLN 10 7.999 -7.704 6.186 84 H ASP 11 HN ASP 11 6.810 -8.156 3.712 85 HA ASP 11 HA ASP 11 5.850 -10.986 3.880 86 1HB ASP 11 HB2 ASP 11 5.466 -9.381 1.788 87 2HB ASP 11 HB1 ASP 11 7.099 -9.914 1.386 88 H ASN 12 HN ASN 12 7.564 -12.466 2.615 89 HA ASN 12 HA ASN 12 10.267 -11.785 3.706 90 1HB ASN 12 HB2 ASN 12 8.784 -13.766 4.713 91 2HB ASN 12 HB1 ASN 12 9.453 -14.636 3.332 92 1HD2 ASN 12 HD22 ASN 12 12.265 -13.086 5.906 93 2HD2 ASN 12 HD21 ASN 12 10.950 -12.120 5.438 94 H ASP 13 HN ASP 13 8.810 -11.652 0.940 95 HA ASP 13 HA ASP 13 10.499 -13.446 -0.661 96 1HB ASP 13 HB2 ASP 13 8.212 -11.601 -1.173 97 2HB ASP 13 HB1 ASP 13 9.335 -11.874 -2.507 98 H ASN 14 HN ASN 14 12.620 -12.783 -0.654 99 HA ASN 14 HA ASN 14 13.444 -10.030 -0.527 100 1HB ASN 14 HB2 ASN 14 14.712 -12.629 -0.651 101 2HB ASN 14 HB1 ASN 14 15.499 -11.516 -1.771 102 1HD2 ASN 14 HD22 ASN 14 16.641 -11.193 1.934 103 2HD2 ASN 14 HD21 ASN 14 16.194 -12.602 1.100 104 H ALA 15 HN ALA 15 12.017 -11.815 -2.998 105 HA ALA 15 HA ALA 15 13.436 -10.756 -5.263 106 1HB ALA 15 HB3 ALA 15 11.884 -12.759 -5.293 107 2HB ALA 15 HB2 ALA 15 10.538 -11.623 -5.189 108 3HB ALA 15 HB1 ALA 15 11.609 -11.596 -6.590 109 H ARG 16 HN ARG 16 10.280 -9.879 -3.853 110 HA ARG 16 HA ARG 16 9.914 -7.534 -5.418 111 1HB ARG 16 HB2 ARG 16 8.132 -7.041 -3.976 112 2HB ARG 16 HB1 ARG 16 8.277 -8.790 -3.813 113 1HG ARG 16 HG2 ARG 16 9.978 -8.092 -1.873 114 2HG ARG 16 HG1 ARG 16 8.976 -6.640 -1.860 115 1HD ARG 16 HD2 ARG 16 7.921 -9.475 -1.649 116 2HD ARG 16 HD1 ARG 16 8.134 -8.375 -0.288 117 HE ARG 16 HE ARG 16 6.540 -6.951 -2.055 118 1HH1 ARG 16 HH21 ARG 16 6.458 -10.067 -0.563 119 2HH1 ARG 16 HH22 ARG 16 4.728 -10.137 -0.511 120 1HH2 ARG 16 HH11 ARG 16 4.285 -7.033 -1.988 121 2HH2 ARG 16 HH12 ARG 16 3.501 -8.423 -1.315 122 H TYR 17 HN TYR 17 11.826 -8.191 -2.566 123 HA TYR 17 HA TYR 17 12.292 -5.523 -1.684 124 1HB TYR 17 HB2 TYR 17 12.986 -7.698 -0.526 125 2HB TYR 17 HB1 TYR 17 14.349 -7.736 -1.643 126 HD1 TYR 17 HD2 TYR 17 12.612 -5.144 0.453 127 HD2 TYR 17 HD1 TYR 17 16.336 -6.888 -0.788 128 HE1 TYR 17 HE2 TYR 17 13.843 -3.541 1.889 129 HE2 TYR 17 HE1 TYR 17 17.566 -5.283 0.649 130 HH TYR 17 HH TYR 17 15.821 -2.890 2.640 131 H VAL 18 HN VAL 18 14.142 -7.568 -3.957 132 HA VAL 18 HA VAL 18 16.115 -5.674 -4.662 133 HB VAL 18 HB VAL 18 14.764 -7.719 -6.457 134 1HG1 VAL 18 HG12 VAL 18 17.301 -6.096 -6.693 135 2HG1 VAL 18 HG11 VAL 18 17.082 -7.608 -7.574 136 3HG1 VAL 18 HG13 VAL 18 15.991 -6.253 -7.864 137 1HG2 VAL 18 HG23 VAL 18 17.131 -7.860 -4.572 138 2HG2 VAL 18 HG22 VAL 18 15.671 -8.849 -4.546 139 3HG2 VAL 18 HG21 VAL 18 16.850 -9.051 -5.842 140 H VAL 19 HN VAL 19 13.019 -6.339 -6.342 141 HA VAL 19 HA VAL 19 13.098 -4.236 -8.196 142 HB VAL 19 HB VAL 19 10.683 -5.225 -6.642 143 1HG1 VAL 19 HG12 VAL 19 10.510 -2.999 -7.919 144 2HG1 VAL 19 HG11 VAL 19 10.727 -3.956 -9.385 145 3HG1 VAL 19 HG13 VAL 19 9.336 -4.246 -8.341 146 1HG2 VAL 19 HG23 VAL 19 12.125 -6.170 -9.113 147 2HG2 VAL 19 HG22 VAL 19 11.549 -7.116 -7.741 148 3HG2 VAL 19 HG21 VAL 19 10.400 -6.480 -8.918 149 H GLU 20 HN GLU 20 12.477 -4.173 -4.748 150 HA GLU 20 HA GLU 20 11.465 -1.485 -4.591 151 1HB GLU 20 HB2 GLU 20 11.516 -3.385 -2.784 152 2HB GLU 20 HB1 GLU 20 13.116 -2.743 -2.410 153 1HG GLU 20 HG2 GLU 20 12.028 -1.265 -1.085 154 2HG GLU 20 HG1 GLU 20 11.580 -0.454 -2.586 155 H ALA 21 HN ALA 21 14.744 -2.862 -4.244 156 HA ALA 21 HA ALA 21 16.171 -0.526 -3.649 157 1HB ALA 21 HB2 ALA 21 16.782 -3.140 -4.686 158 2HB ALA 21 HB1 ALA 21 17.690 -1.935 -5.599 159 3HB ALA 21 HB3 ALA 21 17.851 -2.018 -3.844 160 H ILE 22 HN ILE 22 15.015 -1.700 -6.796 161 HA ILE 22 HA ILE 22 16.197 0.410 -8.354 162 HB ILE 22 HB ILE 22 13.744 -1.303 -8.866 163 1HG1 ILE 22 HG12 ILE 22 15.516 -2.265 -10.561 164 2HG1 ILE 22 HG11 ILE 22 16.683 -1.534 -9.459 165 1HG2 ILE 22 HG23 ILE 22 15.172 0.770 -10.513 166 2HG2 ILE 22 HG22 ILE 22 14.401 -0.602 -11.308 167 3HG2 ILE 22 HG21 ILE 22 13.439 0.503 -10.326 168 1HD1 ILE 22 HD11 ILE 22 14.557 -3.059 -8.108 169 2HD1 ILE 22 HD13 ILE 22 15.600 -4.039 -9.140 170 3HD1 ILE 22 HD12 ILE 22 16.300 -3.076 -7.838 171 H ILE 23 HN ILE 23 13.003 0.045 -6.808 172 HA ILE 23 HA ILE 23 11.792 2.408 -7.751 173 HB ILE 23 HB ILE 23 11.587 0.984 -5.088 174 1HG1 ILE 23 HG12 ILE 23 9.890 1.170 -7.588 175 2HG1 ILE 23 HG11 ILE 23 10.648 -0.269 -6.903 176 1HG2 ILE 23 HG22 ILE 23 9.981 3.353 -6.099 177 2HG2 ILE 23 HG21 ILE 23 9.567 2.387 -4.683 178 3HG2 ILE 23 HG23 ILE 23 11.050 3.341 -4.696 179 1HD1 ILE 23 HD13 ILE 23 9.213 0.039 -4.857 180 2HD1 ILE 23 HD12 ILE 23 8.367 1.331 -5.709 181 3HD1 ILE 23 HD11 ILE 23 8.298 -0.322 -6.320 182 H GLN 24 HN GLN 24 13.997 1.962 -4.987 183 HA GLN 24 HA GLN 24 13.972 4.742 -4.214 184 1HB GLN 24 HB2 GLN 24 16.152 2.663 -3.797 185 2HB GLN 24 HB1 GLN 24 15.980 4.180 -2.913 186 1HG GLN 24 HG2 GLN 24 14.388 3.328 -1.551 187 2HG GLN 24 HG1 GLN 24 13.534 2.566 -2.893 188 1HE2 GLN 24 HE22 GLN 24 16.743 0.316 -1.732 189 2HE2 GLN 24 HE21 GLN 24 16.961 1.926 -2.221 190 H ASP 25 HN ASP 25 15.776 2.826 -6.549 191 HA ASP 25 HA ASP 25 17.897 4.583 -7.144 192 1HB ASP 25 HB2 ASP 25 16.909 2.268 -8.270 193 2HB ASP 25 HB1 ASP 25 16.560 3.461 -9.522 194 H ASN 26 HN ASN 26 14.487 4.853 -7.675 195 HA ASN 26 HA ASN 26 14.709 7.080 -9.570 196 1HB ASN 26 HB2 ASN 26 12.177 6.547 -8.085 197 2HB ASN 26 HB1 ASN 26 12.418 6.913 -9.792 198 1HD2 ASN 26 HD21 ASN 26 14.523 4.798 -10.110 199 2HD2 ASN 26 HD22 ASN 26 13.691 3.320 -10.095 200 HA PRO 27 HA PRO 27 14.969 9.884 -6.192 201 1HB PRO 27 HB2 PRO 27 14.856 12.166 -7.948 202 2HB PRO 27 HB1 PRO 27 16.274 11.478 -7.142 203 1HG PRO 27 HG2 PRO 27 15.614 11.344 -9.935 204 2HG PRO 27 HG1 PRO 27 17.008 10.626 -9.116 205 1HD PRO 27 HD2 PRO 27 14.693 9.277 -10.179 206 2HD PRO 27 HD1 PRO 27 16.102 8.561 -9.377 207 H HIS 28 HN HIS 28 12.398 8.901 -6.661 208 HA HIS 28 HA HIS 28 10.773 11.310 -6.094 209 1HB HIS 28 HB2 HIS 28 10.728 10.494 -8.613 210 2HB HIS 28 HB1 HIS 28 9.647 9.262 -7.967 211 HD1 HIS 28 HD1 HIS 28 9.076 12.021 -9.772 212 HD2 HIS 28 HD2 HIS 28 7.963 11.180 -5.843 213 HE1 HIS 28 HE1 HIS 28 7.102 13.519 -9.251 214 H ALA 29 HN ALA 29 10.974 7.773 -6.300 215 HA ALA 29 HA ALA 29 8.684 7.315 -4.578 216 1HB ALA 29 HB1 ALA 29 9.774 5.700 -6.291 217 2HB ALA 29 HB3 ALA 29 10.944 5.363 -5.016 218 3HB ALA 29 HB2 ALA 29 9.234 5.022 -4.756 219 H VAL 30 HN VAL 30 8.669 6.998 -2.351 220 HA VAL 30 HA VAL 30 10.892 8.066 -0.835 221 HB VAL 30 HB VAL 30 8.555 6.468 0.235 222 1HG1 VAL 30 HG12 VAL 30 10.788 7.917 1.385 223 2HG1 VAL 30 HG11 VAL 30 9.256 8.616 1.909 224 3HG1 VAL 30 HG13 VAL 30 9.588 6.907 2.190 225 1HG2 VAL 30 HG22 VAL 30 8.556 8.966 -1.193 226 2HG2 VAL 30 HG21 VAL 30 7.191 8.124 -0.458 227 3HG2 VAL 30 HG23 VAL 30 8.136 9.270 0.493 228 H VAL 31 HN VAL 31 9.931 5.458 1.009 229 HA VAL 31 HA VAL 31 11.443 3.328 -0.148 230 HB VAL 31 HB VAL 31 13.183 5.191 0.534 231 1HG1 VAL 31 HG12 VAL 31 12.066 5.054 2.945 232 2HG1 VAL 31 HG11 VAL 31 13.213 3.728 3.140 233 3HG1 VAL 31 HG13 VAL 31 13.794 5.348 2.756 234 1HG2 VAL 31 HG23 VAL 31 13.314 2.475 0.087 235 2HG2 VAL 31 HG22 VAL 31 14.709 3.538 0.272 236 3HG2 VAL 31 HG21 VAL 31 14.098 2.636 1.658 237 H GLN 32 HN GLN 32 12.372 2.047 2.157 238 HA GLN 32 HA GLN 32 9.841 1.743 3.716 239 1HB GLN 32 HB2 GLN 32 11.105 -0.592 4.184 240 2HB GLN 32 HB1 GLN 32 10.033 -0.356 2.806 241 1HG GLN 32 HG2 GLN 32 11.923 0.154 1.360 242 2HG GLN 32 HG1 GLN 32 13.031 0.088 2.732 243 1HE2 GLN 32 HE22 GLN 32 12.382 -3.570 3.061 244 2HE2 GLN 32 HE21 GLN 32 12.200 -2.216 4.067 245 H HIS 33 HN HIS 33 10.786 0.232 5.830 246 HA HIS 33 HA HIS 33 12.349 2.268 7.285 247 1HB HIS 33 HB2 HIS 33 10.622 -0.045 8.037 248 2HB HIS 33 HB1 HIS 33 11.895 0.418 9.167 249 HD1 HIS 33 HD1 HIS 33 11.804 3.510 8.582 250 HD2 HIS 33 HD2 HIS 33 8.474 1.142 9.411 251 HE1 HIS 33 HE1 HIS 33 10.010 5.075 9.446 252 H HIS 34 HN HIS 34 12.715 -1.040 8.301 253 HA HIS 34 HA HIS 34 15.183 -1.528 6.879 254 1HB HIS 34 HB2 HIS 34 16.027 0.206 8.367 255 2HB HIS 34 HB1 HIS 34 15.394 -0.649 9.766 256 HD1 HIS 34 HD1 HIS 34 16.562 -2.928 10.404 257 HD2 HIS 34 HD2 HIS 34 18.454 -0.810 7.354 258 HE1 HIS 34 HE1 HIS 34 18.856 -3.965 10.128 259 HA PRO 35 HA PRO 35 14.691 -4.875 10.341 260 1HB PRO 35 HB2 PRO 35 11.926 -4.677 11.188 261 2HB PRO 35 HB1 PRO 35 13.387 -4.724 12.184 262 1HG PRO 35 HG2 PRO 35 11.725 -2.448 11.603 263 2HG PRO 35 HG1 PRO 35 13.186 -2.501 12.599 264 1HD PRO 35 HD2 PRO 35 12.900 -1.273 10.052 265 2HD PRO 35 HD1 PRO 35 14.393 -1.487 10.976 266 H ALA 36 HN ALA 36 12.970 -6.817 10.244 267 HA ALA 36 HA ALA 36 12.642 -7.561 7.560 268 1HB ALA 36 HB1 ALA 36 11.042 -8.442 9.981 269 2HB ALA 36 HB3 ALA 36 11.013 -9.255 8.417 270 3HB ALA 36 HB2 ALA 36 12.506 -9.200 9.353 271 H MET 37 HN MET 37 10.642 -5.455 9.483 272 HA MET 37 HA MET 37 8.215 -5.731 7.968 273 1HB MET 37 HB2 MET 37 9.190 -3.216 9.354 274 2HB MET 37 HB1 MET 37 7.521 -3.668 9.009 275 1HG MET 37 HG2 MET 37 9.163 -5.564 10.630 276 2HG MET 37 HG1 MET 37 8.603 -4.088 11.413 277 1HE MET 37 HE1 MET 37 7.428 -4.600 12.918 278 2HE MET 37 HE3 MET 37 5.675 -4.532 12.692 279 3HE MET 37 HE2 MET 37 6.454 -6.056 13.110 280 H ILE 38 HN ILE 38 7.384 -4.231 6.341 281 HA ILE 38 HA ILE 38 9.557 -2.840 4.835 282 HB ILE 38 HB ILE 38 7.353 -3.820 3.176 283 1HG1 ILE 38 HG12 ILE 38 7.582 -5.654 4.973 284 2HG1 ILE 38 HG11 ILE 38 7.766 -6.166 3.300 285 1HG2 ILE 38 HG23 ILE 38 10.287 -3.539 3.144 286 2HG2 ILE 38 HG22 ILE 38 9.677 -4.926 2.241 287 3HG2 ILE 38 HG21 ILE 38 9.118 -3.301 1.845 288 1HD1 ILE 38 HD11 ILE 38 10.104 -5.423 5.073 289 2HD1 ILE 38 HD13 ILE 38 9.524 -7.076 4.870 290 3HD1 ILE 38 HD12 ILE 38 10.167 -6.191 3.487 291 H ARG 39 HN ARG 39 9.052 -0.726 4.415 292 HA ARG 39 HA ARG 39 6.176 0.049 4.595 293 1HB ARG 39 HB2 ARG 39 7.154 0.859 6.610 294 2HB ARG 39 HB1 ARG 39 8.606 1.405 5.771 295 1HG ARG 39 HG2 ARG 39 7.346 3.140 4.618 296 2HG ARG 39 HG1 ARG 39 5.835 2.548 5.310 297 1HD ARG 39 HD2 ARG 39 6.171 3.723 7.201 298 2HD ARG 39 HD1 ARG 39 7.776 3.023 7.403 299 HE ARG 39 HE ARG 39 8.133 4.926 5.423 300 1HH1 ARG 39 HH21 ARG 39 6.816 4.852 8.616 301 2HH1 ARG 39 HH22 ARG 39 7.229 6.497 8.963 302 1HH2 ARG 39 HH11 ARG 39 8.677 7.070 5.867 303 2HH2 ARG 39 HH12 ARG 39 8.282 7.752 7.409 304 H ILE 40 HN ILE 40 5.716 2.158 3.464 305 HA ILE 40 HA ILE 40 7.650 2.990 1.439 306 HB ILE 40 HB ILE 40 5.126 1.486 0.739 307 1HG1 ILE 40 HG12 ILE 40 7.061 0.633 -0.951 308 2HG1 ILE 40 HG11 ILE 40 8.058 1.113 0.422 309 1HG2 ILE 40 HG23 ILE 40 6.780 3.321 -1.017 310 2HG2 ILE 40 HG22 ILE 40 5.573 2.187 -1.621 311 3HG2 ILE 40 HG21 ILE 40 5.083 3.526 -0.584 312 1HD1 ILE 40 HD12 ILE 40 5.833 -0.268 1.501 313 2HD1 ILE 40 HD11 ILE 40 6.399 -1.228 0.134 314 3HD1 ILE 40 HD13 ILE 40 7.508 -0.816 1.442 315 H GLU 41 HN GLU 41 6.604 4.833 0.052 316 HA GLU 41 HA GLU 41 4.242 6.089 1.294 317 1HB GLU 41 HB2 GLU 41 6.983 6.860 1.972 318 2HB GLU 41 HB1 GLU 41 6.037 8.206 1.339 319 1HG GLU 41 HG2 GLU 41 4.808 8.333 3.227 320 2HG GLU 41 HG1 GLU 41 4.471 6.601 3.190 321 H ALA 42 HN ALA 42 3.409 7.828 0.032 322 HA ALA 42 HA ALA 42 4.710 8.210 -2.632 323 1HB ALA 42 HB2 ALA 42 2.482 6.697 -2.354 324 2HB ALA 42 HB1 ALA 42 1.740 8.290 -2.509 325 3HB ALA 42 HB3 ALA 42 2.796 7.682 -3.783 326 H GLU 43 HN GLU 43 3.274 10.166 -3.728 327 HA GLU 43 HA GLU 43 2.809 12.238 -1.641 328 1HB GLU 43 HB2 GLU 43 4.622 12.545 -4.045 329 2HB GLU 43 HB1 GLU 43 4.139 13.861 -2.974 330 1HG GLU 43 HG2 GLU 43 5.109 12.557 -1.052 331 2HG GLU 43 HG1 GLU 43 5.737 11.398 -2.224 332 H LYS 44 HN LYS 44 0.499 11.658 -2.425 333 HA LYS 44 HA LYS 44 -0.514 13.680 -4.109 334 1HB LYS 44 HB2 LYS 44 0.861 11.965 -5.685 335 2HB LYS 44 HB1 LYS 44 -0.714 11.181 -5.694 336 1HG LYS 44 HG2 LYS 44 -0.518 12.810 -7.545 337 2HG LYS 44 HG1 LYS 44 -1.770 13.294 -6.400 338 1HD LYS 44 HD2 LYS 44 0.710 14.377 -5.490 339 2HD LYS 44 HD1 LYS 44 0.548 14.764 -7.203 340 1HE LYS 44 HE2 LYS 44 -1.983 15.276 -6.334 341 2HE LYS 44 HE1 LYS 44 -1.054 15.700 -4.896 342 1HZ LYS 44 HZ2 LYS 44 -0.065 16.652 -7.475 343 2HZ LYS 44 HZ1 LYS 44 -1.453 17.405 -6.847 344 3HZ LYS 44 HZ3 LYS 44 -0.014 17.399 -5.949 345 H ARG 45 HN ARG 45 -2.440 11.693 -5.436 346 HA ARG 45 HA ARG 45 -3.958 10.985 -2.966 347 1HB ARG 45 HB2 ARG 45 -5.123 11.995 -5.575 348 2HB ARG 45 HB1 ARG 45 -5.994 11.701 -4.071 349 1HG ARG 45 HG2 ARG 45 -5.630 13.919 -3.691 350 2HG ARG 45 HG1 ARG 45 -4.020 13.383 -3.208 351 1HD ARG 45 HD2 ARG 45 -3.069 14.394 -4.977 352 2HD ARG 45 HD1 ARG 45 -4.211 13.656 -6.097 353 HE ARG 45 HE ARG 45 -4.250 16.369 -5.290 354 1HH1 ARG 45 HH21 ARG 45 -6.422 13.677 -5.503 355 2HH1 ARG 45 HH22 ARG 45 -7.838 14.665 -5.432 356 1HH2 ARG 45 HH11 ARG 45 -6.093 17.646 -5.219 357 2HH2 ARG 45 HH12 ARG 45 -7.656 16.902 -5.280 358 H LEU 46 HN LEU 46 -5.700 9.319 -3.459 359 HA LEU 46 HA LEU 46 -4.818 7.447 -5.616 360 1HB LEU 46 HB2 LEU 46 -5.902 6.220 -3.148 361 2HB LEU 46 HB1 LEU 46 -4.565 5.697 -4.168 362 HG LEU 46 HG LEU 46 -4.469 7.968 -2.157 363 1HD1 LEU 46 HD12 LEU 46 -4.289 5.215 -1.742 364 2HD1 LEU 46 HD11 LEU 46 -2.610 5.749 -1.823 365 3HD1 LEU 46 HD13 LEU 46 -3.710 6.472 -0.650 366 1HD2 LEU 46 HD21 LEU 46 -2.894 7.445 -4.467 367 2HD2 LEU 46 HD23 LEU 46 -2.616 8.657 -3.217 368 3HD2 LEU 46 HD22 LEU 46 -1.911 7.048 -3.057 369 H GLU 47 HN GLU 47 -6.525 6.087 -6.451 370 HA GLU 47 HA GLU 47 -9.281 6.752 -5.546 371 1HB GLU 47 HB2 GLU 47 -9.875 6.821 -8.074 372 2HB GLU 47 HB1 GLU 47 -9.119 8.248 -7.365 373 1HG GLU 47 HG2 GLU 47 -7.212 7.985 -8.571 374 2HG GLU 47 HG1 GLU 47 -7.207 6.234 -8.353 375 H ILE 48 HN ILE 48 -10.849 5.105 -6.169 376 HA ILE 48 HA ILE 48 -9.792 2.660 -7.445 377 HB ILE 48 HB ILE 48 -11.201 2.185 -4.870 378 1HG1 ILE 48 HG12 ILE 48 -8.278 2.996 -5.009 379 2HG1 ILE 48 HG11 ILE 48 -9.564 3.958 -4.280 380 1HG2 ILE 48 HG22 ILE 48 -9.990 0.621 -6.757 381 2HG2 ILE 48 HG21 ILE 48 -8.693 0.796 -5.574 382 3HG2 ILE 48 HG23 ILE 48 -10.250 0.130 -5.083 383 1HD1 ILE 48 HD11 ILE 48 -9.370 1.150 -3.345 384 2HD1 ILE 48 HD13 ILE 48 -8.041 2.209 -2.873 385 3HD1 ILE 48 HD12 ILE 48 -9.698 2.621 -2.431 386 H ARG 49 HN ARG 49 -11.417 1.488 -8.441 387 HA ARG 49 HA ARG 49 -14.140 2.684 -8.312 388 1HB ARG 49 HB2 ARG 49 -14.397 1.078 -10.395 389 2HB ARG 49 HB1 ARG 49 -13.565 2.624 -10.565 390 1HG ARG 49 HG2 ARG 49 -11.413 1.586 -10.426 391 2HG ARG 49 HG1 ARG 49 -12.113 0.056 -9.896 392 1HD ARG 49 HD2 ARG 49 -12.539 -0.595 -12.017 393 2HD ARG 49 HD1 ARG 49 -13.241 0.969 -12.433 394 HE ARG 49 HE ARG 49 -10.515 1.466 -12.339 395 1HH1 ARG 49 HH21 ARG 49 -12.603 -0.783 -13.928 396 2HH1 ARG 49 HH22 ARG 49 -11.578 -0.953 -15.312 397 1HH2 ARG 49 HH11 ARG 49 -9.174 1.253 -14.141 398 2HH2 ARG 49 HH12 ARG 49 -9.639 0.198 -15.434 399 H ARG 50 HN ARG 50 -15.750 0.648 -9.088 400 HA ARG 50 HA ARG 50 -15.842 -1.011 -6.697 401 1HB ARG 50 HB2 ARG 50 -17.835 -0.110 -8.103 402 2HB ARG 50 HB1 ARG 50 -17.506 -1.477 -9.169 403 1HG ARG 50 HG2 ARG 50 -18.364 -2.970 -7.697 404 2HG ARG 50 HG1 ARG 50 -17.539 -2.219 -6.332 405 1HD ARG 50 HD2 ARG 50 -19.352 -0.993 -5.766 406 2HD ARG 50 HD1 ARG 50 -19.699 -0.559 -7.437 407 HE ARG 50 HE ARG 50 -21.088 -2.521 -5.931 408 1HH1 ARG 50 HH21 ARG 50 -19.536 -2.203 -9.011 409 2HH1 ARG 50 HH22 ARG 50 -20.346 -3.571 -9.691 410 1HH2 ARG 50 HH11 ARG 50 -22.146 -4.286 -6.822 411 2HH2 ARG 50 HH12 ARG 50 -21.821 -4.743 -8.461 412 H GLU 51 HN GLU 51 -14.857 -1.432 -10.052 413 HA GLU 51 HA GLU 51 -14.745 -4.221 -10.259 414 1HB GLU 51 HB2 GLU 51 -12.564 -2.351 -11.215 415 2HB GLU 51 HB1 GLU 51 -13.005 -3.914 -11.902 416 1HG GLU 51 HG2 GLU 51 -15.405 -2.571 -11.958 417 2HG GLU 51 HG1 GLU 51 -14.253 -1.278 -12.294 418 H THR 52 HN THR 52 -12.419 -2.029 -8.689 419 HA THR 52 HA THR 52 -10.565 -4.132 -7.988 420 HB THR 52 HB THR 52 -10.886 -1.621 -6.368 421 HG1 THR 52 HG1 THR 52 -9.468 -1.681 -8.796 422 1HG2 THR 52 HG21 THR 52 -8.757 -3.576 -7.048 423 2HG2 THR 52 HG23 THR 52 -8.257 -1.892 -6.893 424 3HG2 THR 52 HG22 THR 52 -9.047 -2.705 -5.542 425 H VAL 53 HN VAL 53 -13.149 -2.450 -6.173 426 HA VAL 53 HA VAL 53 -12.892 -3.778 -3.718 427 HB VAL 53 HB VAL 53 -15.522 -3.178 -5.111 428 1HG1 VAL 53 HG13 VAL 53 -14.844 -4.262 -2.552 429 2HG1 VAL 53 HG12 VAL 53 -15.496 -2.642 -2.305 430 3HG1 VAL 53 HG11 VAL 53 -16.443 -3.851 -3.172 431 1HG2 VAL 53 HG21 VAL 53 -13.672 -1.402 -3.490 432 2HG2 VAL 53 HG23 VAL 53 -14.128 -1.189 -5.180 433 3HG2 VAL 53 HG22 VAL 53 -15.331 -0.975 -3.909 434 H GLU 54 HN GLU 54 -13.976 -4.958 -6.806 435 HA GLU 54 HA GLU 54 -15.174 -7.406 -5.787 436 1HB GLU 54 HB2 GLU 54 -15.945 -6.764 -7.934 437 2HB GLU 54 HB1 GLU 54 -14.315 -6.439 -8.516 438 1HG GLU 54 HG2 GLU 54 -14.044 -8.571 -9.185 439 2HG GLU 54 HG1 GLU 54 -14.573 -9.188 -7.620 440 H GLU 55 HN GLU 55 -12.025 -6.493 -7.200 441 HA GLU 55 HA GLU 55 -10.840 -9.068 -7.216 442 1HB GLU 55 HB2 GLU 55 -9.798 -6.993 -8.169 443 2HB GLU 55 HB1 GLU 55 -9.454 -6.458 -6.524 444 1HG GLU 55 HG2 GLU 55 -7.947 -8.245 -6.135 445 2HG GLU 55 HG1 GLU 55 -8.538 -9.155 -7.526 446 H ASN 56 HN ASN 56 -10.829 -6.601 -4.628 447 HA ASN 56 HA ASN 56 -9.449 -8.169 -2.697 448 1HB ASN 56 HB2 ASN 56 -10.763 -5.644 -2.778 449 2HB ASN 56 HB1 ASN 56 -11.434 -6.536 -1.412 450 1HD2 ASN 56 HD22 ASN 56 -8.316 -6.654 0.367 451 2HD2 ASN 56 HD21 ASN 56 -9.795 -7.462 0.166 452 H LEU 57 HN LEU 57 -12.843 -8.072 -3.665 453 HA LEU 57 HA LEU 57 -13.962 -9.543 -1.509 454 1HB LEU 57 HB2 LEU 57 -15.391 -8.512 -3.195 455 2HB LEU 57 HB1 LEU 57 -14.705 -9.544 -4.451 456 HG LEU 57 HG LEU 57 -15.488 -11.489 -2.835 457 1HD1 LEU 57 HD12 LEU 57 -16.236 -9.599 -1.184 458 2HD1 LEU 57 HD11 LEU 57 -17.644 -9.479 -2.240 459 3HD1 LEU 57 HD13 LEU 57 -17.283 -10.998 -1.419 460 1HD2 LEU 57 HD21 LEU 57 -16.993 -9.869 -4.849 461 2HD2 LEU 57 HD23 LEU 57 -16.446 -11.542 -4.942 462 3HD2 LEU 57 HD22 LEU 57 -17.865 -11.131 -3.979 463 H GLY 58 HN GLY 58 -12.674 -10.740 -4.630 464 1HA GLY 58 HA2 GLY 58 -12.911 -13.517 -3.884 465 2HA GLY 58 HA1 GLY 58 -11.926 -12.894 -5.213 466 H ARG 59 HN ARG 59 -10.774 -11.016 -2.989 467 HA ARG 59 HA ARG 59 -8.762 -13.006 -2.007 468 1HB ARG 59 HB2 ARG 59 -8.128 -11.024 -3.612 469 2HB ARG 59 HB1 ARG 59 -8.240 -10.049 -2.147 470 1HG ARG 59 HG2 ARG 59 -6.770 -12.484 -1.618 471 2HG ARG 59 HG1 ARG 59 -6.049 -11.615 -2.973 472 1HD ARG 59 HD2 ARG 59 -6.713 -10.402 -0.273 473 2HD ARG 59 HD1 ARG 59 -5.099 -10.863 -0.815 474 HE ARG 59 HE ARG 59 -5.976 -9.142 -2.793 475 1HH1 ARG 59 HH21 ARG 59 -5.737 -9.059 0.651 476 2HH1 ARG 59 HH22 ARG 59 -5.471 -7.350 0.720 477 1HH2 ARG 59 HH11 ARG 59 -5.634 -6.911 -2.715 478 2HH2 ARG 59 HH12 ARG 59 -5.413 -6.134 -1.183 479 H ALA 60 HN ALA 60 -11.414 -11.774 -0.876 480 HA ALA 60 HA ALA 60 -10.668 -10.247 1.440 481 1HB ALA 60 HB2 ALA 60 -13.097 -11.531 0.386 482 2HB ALA 60 HB1 ALA 60 -13.017 -11.501 2.147 483 3HB ALA 60 HB3 ALA 60 -12.916 -9.995 1.234 484 H TRP 61 HN TRP 61 -10.499 -13.608 0.686 485 HA TRP 61 HA TRP 61 -10.398 -14.423 3.522 486 1HB TRP 61 HB2 TRP 61 -11.295 -15.755 1.373 487 2HB TRP 61 HB1 TRP 61 -9.614 -16.287 1.329 488 HD1 TRP 61 HD1 TRP 61 -9.700 -15.860 4.732 489 HE1 TRP 61 HE1 TRP 61 -10.544 -17.907 6.052 490 HE3 TRP 61 HE3 TRP 61 -12.065 -18.406 0.991 491 HZ2 TRP 61 HZ2 TRP 61 -12.029 -20.306 5.582 492 HZ3 TRP 61 HZ3 TRP 61 -13.185 -20.566 1.453 493 HH2 TRP 61 HH2 TRP 61 -13.170 -21.520 3.742 494 H ASP 62 HN ASP 62 -8.396 -12.539 2.593 495 HA ASP 62 HA ASP 62 -5.933 -14.219 2.581 496 1HB ASP 62 HB2 ASP 62 -6.119 -12.563 0.762 497 2HB ASP 62 HB1 ASP 62 -6.301 -11.277 1.953 498 H VAL 63 HN VAL 63 -7.883 -12.899 4.809 499 HA VAL 63 HA VAL 63 -6.346 -11.216 6.450 500 HB VAL 63 HB VAL 63 -8.032 -13.431 7.606 501 1HG1 VAL 63 HG11 VAL 63 -6.851 -10.971 8.528 502 2HG1 VAL 63 HG13 VAL 63 -8.607 -10.855 8.647 503 3HG1 VAL 63 HG12 VAL 63 -7.753 -12.172 9.452 504 1HG2 VAL 63 HG23 VAL 63 -8.815 -11.456 5.616 505 2HG2 VAL 63 HG22 VAL 63 -9.753 -12.788 6.290 506 3HG2 VAL 63 HG21 VAL 63 -9.706 -11.233 7.121 507 H GLN 64 HN GLN 64 -6.290 -14.771 6.235 508 HA GLN 64 HA GLN 64 -4.581 -15.332 8.397 509 1HB GLN 64 HB2 GLN 64 -4.911 -16.617 5.686 510 2HB GLN 64 HB1 GLN 64 -3.722 -17.227 6.837 511 1HG GLN 64 HG2 GLN 64 -5.557 -18.504 7.443 512 2HG GLN 64 HG1 GLN 64 -5.784 -17.117 8.509 513 1HE2 GLN 64 HE22 GLN 64 -8.787 -16.105 6.961 514 2HE2 GLN 64 HE21 GLN 64 -7.662 -15.845 8.206 515 H GLU 65 HN GLU 65 -3.760 -14.239 5.116 516 HA GLU 65 HA GLU 65 -0.897 -14.326 5.589 517 1HB GLU 65 HB2 GLU 65 -2.695 -13.587 3.410 518 2HB GLU 65 HB1 GLU 65 -1.348 -12.458 3.561 519 1HG GLU 65 HG2 GLU 65 -0.442 -14.115 2.179 520 2HG GLU 65 HG1 GLU 65 0.106 -14.625 3.776 521 H MET 66 HN MET 66 -3.454 -11.992 6.118 522 HA MET 66 HA MET 66 -1.711 -9.704 6.488 523 1HB MET 66 HB2 MET 66 -4.539 -10.250 6.560 524 2HB MET 66 HB1 MET 66 -4.081 -9.357 8.010 525 1HG MET 66 HG2 MET 66 -2.651 -8.076 6.011 526 2HG MET 66 HG1 MET 66 -4.187 -8.451 5.228 527 1HE MET 66 HE1 MET 66 -2.491 -7.535 8.285 528 2HE MET 66 HE3 MET 66 -2.603 -5.792 8.004 529 3HE MET 66 HE2 MET 66 -3.576 -6.549 9.263 530 H LEU 67 HN LEU 67 -2.338 -12.484 8.338 531 HA LEU 67 HA LEU 67 -2.048 -11.297 10.973 532 1HB LEU 67 HB2 LEU 67 -2.381 -13.972 9.837 533 2HB LEU 67 HB1 LEU 67 -1.271 -13.949 11.209 534 HG LEU 67 HG LEU 67 -3.653 -14.280 11.894 535 1HD1 LEU 67 HD12 LEU 67 -1.961 -11.976 12.760 536 2HD1 LEU 67 HD11 LEU 67 -3.600 -12.072 13.404 537 3HD1 LEU 67 HD13 LEU 67 -2.470 -13.399 13.670 538 1HD2 LEU 67 HD22 LEU 67 -4.551 -12.807 10.035 539 2HD2 LEU 67 HD21 LEU 67 -5.245 -12.486 11.624 540 3HD2 LEU 67 HD23 LEU 67 -4.006 -11.414 10.970 541 H VAL 68 HN VAL 68 0.167 -13.341 9.022 542 HA VAL 68 HA VAL 68 2.402 -12.448 10.730 543 HB VAL 68 HB VAL 68 1.989 -14.858 9.823 544 1HG1 VAL 68 HG11 VAL 68 1.753 -14.163 7.450 545 2HG1 VAL 68 HG13 VAL 68 3.426 -13.607 7.465 546 3HG1 VAL 68 HG12 VAL 68 3.065 -15.321 7.673 547 1HG2 VAL 68 HG22 VAL 68 4.004 -14.030 11.065 548 2HG2 VAL 68 HG21 VAL 68 4.381 -15.287 9.887 549 3HG2 VAL 68 HG23 VAL 68 4.730 -13.599 9.516 550 H ASP 69 HN ASP 69 1.504 -12.317 7.262 551 HA ASP 69 HA ASP 69 3.664 -10.285 6.928 552 1HB ASP 69 HB2 ASP 69 2.592 -10.717 4.396 553 2HB ASP 69 HB1 ASP 69 4.060 -11.457 5.025 554 H VAL 70 HN VAL 70 3.213 -8.256 6.078 555 HA VAL 70 HA VAL 70 0.361 -7.410 6.317 556 HB VAL 70 HB VAL 70 2.792 -5.613 6.156 557 1HG1 VAL 70 HG12 VAL 70 -0.101 -5.271 6.567 558 2HG1 VAL 70 HG11 VAL 70 0.896 -4.431 7.755 559 3HG1 VAL 70 HG13 VAL 70 1.104 -4.098 6.036 560 1HG2 VAL 70 HG21 VAL 70 2.640 -7.435 8.079 561 2HG2 VAL 70 HG23 VAL 70 3.132 -5.781 8.440 562 3HG2 VAL 70 HG22 VAL 70 1.474 -6.296 8.751 563 H ILE 71 HN ILE 71 0.121 -5.261 4.631 564 HA ILE 71 HA ILE 71 1.175 -6.223 2.014 565 HB ILE 71 HB ILE 71 -1.254 -5.412 1.235 566 1HG1 ILE 71 HG12 ILE 71 -1.931 -6.780 3.823 567 2HG1 ILE 71 HG11 ILE 71 -1.701 -5.031 3.799 568 1HG2 ILE 71 HG22 ILE 71 0.105 -7.818 1.482 569 2HG2 ILE 71 HG21 ILE 71 -1.413 -8.121 2.327 570 3HG2 ILE 71 HG23 ILE 71 -1.431 -7.587 0.647 571 1HD1 ILE 71 HD12 ILE 71 -3.322 -5.046 1.780 572 2HD1 ILE 71 HD11 ILE 71 -3.751 -6.672 2.315 573 3HD1 ILE 71 HD13 ILE 71 -4.011 -5.294 3.384 574 H THR 72 HN THR 72 -0.263 -3.454 3.774 575 HA THR 72 HA THR 72 1.419 -1.510 2.665 576 HB THR 72 HB THR 72 -0.706 -0.688 1.136 577 HG1 THR 72 HG1 THR 72 -1.755 -2.643 1.344 578 1HG2 THR 72 HG22 THR 72 1.960 -1.346 0.766 579 2HG2 THR 72 HG21 THR 72 1.107 -2.388 -0.373 580 3HG2 THR 72 HG23 THR 72 0.895 -0.639 -0.449 581 H ILE 73 HN ILE 73 -0.806 0.506 2.267 582 HA ILE 73 HA ILE 73 -2.721 0.561 4.275 583 HB ILE 73 HB ILE 73 -0.811 0.435 5.872 584 1HG1 ILE 73 HG12 ILE 73 -1.547 2.814 6.942 585 2HG1 ILE 73 HG11 ILE 73 -2.834 2.592 5.757 586 1HG2 ILE 73 HG23 ILE 73 0.224 2.487 4.200 587 2HG2 ILE 73 HG22 ILE 73 0.024 3.125 5.810 588 3HG2 ILE 73 HG21 ILE 73 1.008 1.687 5.547 589 1HD1 ILE 73 HD12 ILE 73 -2.216 0.139 7.229 590 2HD1 ILE 73 HD11 ILE 73 -2.759 1.448 8.279 591 3HD1 ILE 73 HD13 ILE 73 -3.775 0.912 6.940 592 H GLY 74 HN GLY 74 -1.586 3.603 4.689 593 1HA GLY 74 HA2 GLY 74 -1.575 4.855 2.226 594 2HA GLY 74 HA1 GLY 74 -3.279 4.624 2.605 595 H GLY 75 HN GLY 75 -4.228 6.100 3.864 596 1HA GLY 75 HA2 GLY 75 -2.774 7.600 5.908 597 2HA GLY 75 HA1 GLY 75 -3.251 8.581 4.520 598 H ASN 76 HN ASN 76 -5.685 8.166 3.871 599 HA ASN 76 HA ASN 76 -7.301 7.988 6.389 600 1HB ASN 76 HB2 ASN 76 -6.932 10.309 5.097 601 2HB ASN 76 HB1 ASN 76 -8.250 9.674 4.113 602 1HD2 ASN 76 HD22 ASN 76 -10.082 9.342 7.492 603 2HD2 ASN 76 HD21 ASN 76 -9.296 8.152 6.572 604 H VAL 77 HN VAL 77 -9.729 8.408 4.650 605 HA VAL 77 HA VAL 77 -9.859 6.446 2.613 606 HB VAL 77 HB VAL 77 -9.352 4.833 4.389 607 1HG1 VAL 77 HG13 VAL 77 -10.794 6.556 6.002 608 2HG1 VAL 77 HG12 VAL 77 -11.882 5.179 5.832 609 3HG1 VAL 77 HG11 VAL 77 -10.252 4.943 6.464 610 1HG2 VAL 77 HG21 VAL 77 -11.035 4.313 2.560 611 2HG2 VAL 77 HG23 VAL 77 -11.190 3.331 4.016 612 3HG2 VAL 77 HG22 VAL 77 -12.304 4.669 3.732 613 H ASP 78 HN ASP 78 -11.265 7.994 1.702 614 HA ASP 78 HA ASP 78 -13.843 8.434 3.140 615 1HB ASP 78 HB2 ASP 78 -13.492 10.023 0.725 616 2HB ASP 78 HB1 ASP 78 -13.805 10.556 2.373 617 H GLU 79 HN GLU 79 -15.718 7.638 2.229 618 HA GLU 79 HA GLU 79 -15.456 6.373 -0.471 619 1HB GLU 79 HB2 GLU 79 -17.292 4.824 0.335 620 2HB GLU 79 HB1 GLU 79 -15.746 4.629 1.162 621 1HG GLU 79 HG2 GLU 79 -16.527 5.971 3.038 622 2HG GLU 79 HG1 GLU 79 -18.038 6.322 2.198 623 H ASP 80 HN ASP 80 -17.408 6.441 -1.799 624 HA ASP 80 HA ASP 80 -19.123 8.790 -1.121 625 1HB ASP 80 HB2 ASP 80 -18.113 7.649 -3.714 626 2HB ASP 80 HB1 ASP 80 -19.584 8.622 -3.695 627 H ASP 81 HN ASP 81 -19.945 6.553 -3.674 628 HA ASP 81 HA ASP 81 -22.337 5.740 -2.091 629 1HB ASP 81 HB2 ASP 81 -21.798 5.947 -5.056 630 2HB ASP 81 HB1 ASP 81 -23.195 5.085 -4.418 631 H ASP 82 HN ASP 82 -20.548 4.266 -4.810 632 HA ASP 82 HA ASP 82 -20.369 1.764 -3.178 633 1HB ASP 82 HB2 ASP 82 -21.429 2.228 -5.908 634 2HB ASP 82 HB1 ASP 82 -20.378 0.822 -5.730 635 H ARG 83 HN ARG 83 -18.694 4.188 -4.774 636 HA ARG 83 HA ARG 83 -16.439 2.477 -5.618 637 1HB ARG 83 HB2 ARG 83 -17.405 5.141 -6.227 638 2HB ARG 83 HB1 ARG 83 -15.702 5.191 -5.775 639 1HG ARG 83 HG2 ARG 83 -15.278 4.551 -7.905 640 2HG ARG 83 HG1 ARG 83 -15.848 2.957 -7.409 641 1HD ARG 83 HD2 ARG 83 -18.214 4.260 -7.889 642 2HD ARG 83 HD1 ARG 83 -17.161 4.975 -9.110 643 HE ARG 83 HE ARG 83 -16.671 2.259 -9.331 644 1HH1 ARG 83 HH21 ARG 83 -19.456 4.302 -9.336 645 2HH1 ARG 83 HH22 ARG 83 -20.366 3.275 -10.392 646 1HH2 ARG 83 HH11 ARG 83 -17.848 0.915 -10.712 647 2HH2 ARG 83 HH12 ARG 83 -19.458 1.362 -11.171 648 H PHE 84 HN PHE 84 -14.243 3.965 -4.952 649 HA PHE 84 HA PHE 84 -14.325 4.651 -2.094 650 1HB PHE 84 HB2 PHE 84 -13.927 2.017 -2.630 651 2HB PHE 84 HB1 PHE 84 -12.266 2.607 -2.709 652 HD1 PHE 84 HD1 PHE 84 -12.849 4.982 -0.730 653 HD2 PHE 84 HD2 PHE 84 -13.537 0.745 -0.573 654 HE1 PHE 84 HE1 PHE 84 -12.780 5.061 1.748 655 HE2 PHE 84 HE2 PHE 84 -13.467 0.824 1.903 656 HZ PHE 84 HZ PHE 84 -13.093 2.979 3.063 657 H VAL 85 HN VAL 85 -13.014 6.407 -1.931 658 HA VAL 85 HA VAL 85 -10.551 6.459 -3.616 659 HB VAL 85 HB VAL 85 -12.218 7.907 -4.682 660 1HG1 VAL 85 HG13 VAL 85 -12.325 9.264 -1.969 661 2HG1 VAL 85 HG12 VAL 85 -13.108 9.862 -3.432 662 3HG1 VAL 85 HG11 VAL 85 -13.625 8.335 -2.716 663 1HG2 VAL 85 HG21 VAL 85 -9.847 8.630 -4.670 664 2HG2 VAL 85 HG23 VAL 85 -10.937 10.015 -4.635 665 3HG2 VAL 85 HG22 VAL 85 -10.124 9.496 -3.159 666 H LEU 86 HN LEU 86 -8.747 7.224 -2.579 667 HA LEU 86 HA LEU 86 -9.004 8.686 -0.026 668 1HB LEU 86 HB2 LEU 86 -9.015 6.453 0.838 669 2HB LEU 86 HB1 LEU 86 -7.771 5.938 -0.296 670 HG LEU 86 HG LEU 86 -7.081 6.406 2.165 671 1HD1 LEU 86 HD12 LEU 86 -5.694 6.301 -0.122 672 2HD1 LEU 86 HD11 LEU 86 -5.373 7.981 0.302 673 3HD1 LEU 86 HD13 LEU 86 -4.930 6.691 1.418 674 1HD2 LEU 86 HD23 LEU 86 -8.191 8.915 1.545 675 2HD2 LEU 86 HD22 LEU 86 -7.233 8.516 2.959 676 3HD2 LEU 86 HD21 LEU 86 -6.452 9.170 1.535 677 H GLU 87 HN GLU 87 -7.298 10.105 0.176 678 HA GLU 87 HA GLU 87 -5.063 9.837 -1.783 679 1HB GLU 87 HB2 GLU 87 -5.889 12.476 -0.641 680 2HB GLU 87 HB1 GLU 87 -5.156 12.110 -2.188 681 1HG GLU 87 HG2 GLU 87 -7.322 12.546 -2.887 682 2HG GLU 87 HG1 GLU 87 -7.439 10.811 -2.592 683 H TRP 88 HN TRP 88 -3.815 12.235 -0.532 684 HA TRP 88 HA TRP 88 -2.026 11.055 1.242 685 1HB TRP 88 HB2 TRP 88 -1.460 13.224 0.532 686 2HB TRP 88 HB1 TRP 88 -3.041 13.877 0.948 687 HD1 TRP 88 HD1 TRP 88 -1.379 11.690 3.535 688 HE1 TRP 88 HE1 TRP 88 -0.583 13.142 5.513 689 HE3 TRP 88 HE3 TRP 88 -2.131 16.351 1.577 690 HZ2 TRP 88 HZ2 TRP 88 -0.305 15.908 6.176 691 HZ3 TRP 88 HZ3 TRP 88 -1.593 18.372 2.904 692 HH2 TRP 88 HH2 TRP 88 -0.682 18.157 5.199 693 H LYS 89 HN LYS 89 -4.068 13.473 2.780 694 HA LYS 89 HA LYS 89 -5.214 11.404 4.580 695 1HB LYS 89 HB2 LYS 89 -4.513 12.602 6.579 696 2HB LYS 89 HB1 LYS 89 -3.089 12.234 5.606 697 1HG LYS 89 HG2 LYS 89 -2.698 14.473 6.048 698 2HG LYS 89 HG1 LYS 89 -3.620 14.617 4.552 699 1HD LYS 89 HD2 LYS 89 -5.129 15.865 5.662 700 2HD LYS 89 HD1 LYS 89 -5.527 14.445 6.630 701 1HE LYS 89 HE2 LYS 89 -3.085 16.020 7.352 702 2HE LYS 89 HE1 LYS 89 -4.665 16.671 7.789 703 1HZ LYS 89 HZ1 LYS 89 -4.846 14.062 8.495 704 2HZ LYS 89 HZ3 LYS 89 -3.240 14.435 8.890 705 3HZ LYS 89 HZ2 LYS 89 -4.510 15.347 9.555 706 H ASN 90 HN ASN 90 -5.165 14.796 3.528 707 HA ASN 90 HA ASN 90 -7.775 15.320 4.777 708 1HB ASN 90 HB2 ASN 90 -5.724 16.968 4.222 709 2HB ASN 90 HB1 ASN 90 -6.645 17.172 2.731 710 1HD2 ASN 90 HD22 ASN 90 -8.458 19.637 4.536 711 2HD2 ASN 90 HD21 ASN 90 -7.326 19.356 3.303 No H/Q in entry = 711 Start of MODEL 7 1 1H MET 1 HT3 MET 1 -6.666 16.119 5.586 2 2H MET 1 HT2 MET 1 -7.250 16.519 7.131 3 3H MET 1 HT1 MET 1 -5.702 17.026 6.647 4 HA MET 1 HA MET 1 -4.757 15.128 7.262 5 1HB MET 1 HB2 MET 1 -7.381 15.258 8.582 6 2HB MET 1 HB1 MET 1 -6.701 13.631 8.525 7 1HG MET 1 HG2 MET 1 -4.612 14.445 9.522 8 2HG MET 1 HG1 MET 1 -5.244 16.091 9.537 9 1HE MET 1 HE1 MET 1 -6.160 12.644 10.027 10 2HE MET 1 HE3 MET 1 -6.227 12.401 11.778 11 3HE MET 1 HE2 MET 1 -7.691 12.802 10.883 12 H SER 2 HN SER 2 -5.312 12.514 7.396 13 HA SER 2 HA SER 2 -5.379 10.654 5.943 14 1HB SER 2 HB2 SER 2 -7.887 11.419 4.668 15 2HB SER 2 HB1 SER 2 -7.553 10.072 5.752 16 HG SER 2 HG SER 2 -8.030 11.312 7.458 17 H SER 3 HN SER 3 -3.784 12.590 4.829 18 HA SER 3 HA SER 3 -4.625 12.585 1.955 19 1HB SER 3 HB2 SER 3 -2.569 14.540 2.720 20 2HB SER 3 HB1 SER 3 -4.019 14.759 1.744 21 HG SER 3 HG SER 3 -3.595 15.201 4.413 22 H LEU 4 HN LEU 4 -2.510 11.205 4.139 23 HA LEU 4 HA LEU 4 -0.560 10.728 1.953 24 1HB LEU 4 HB2 LEU 4 1.102 10.400 3.927 25 2HB LEU 4 HB1 LEU 4 0.729 12.032 3.388 26 HG LEU 4 HG LEU 4 -1.167 11.951 5.165 27 1HD1 LEU 4 HD11 LEU 4 0.311 9.439 5.643 28 2HD1 LEU 4 HD13 LEU 4 0.013 10.405 7.089 29 3HD1 LEU 4 HD12 LEU 4 -1.339 9.876 6.086 30 1HD2 LEU 4 HD22 LEU 4 1.416 12.905 5.183 31 2HD2 LEU 4 HD21 LEU 4 0.218 13.222 6.439 32 3HD2 LEU 4 HD23 LEU 4 1.381 11.912 6.641 33 H VAL 5 HN VAL 5 0.543 8.662 2.052 34 HA VAL 5 HA VAL 5 -1.111 6.613 3.453 35 HB VAL 5 HB VAL 5 -1.169 5.346 1.545 36 1HG1 VAL 5 HG13 VAL 5 -0.547 8.077 0.409 37 2HG1 VAL 5 HG12 VAL 5 -1.319 6.762 -0.477 38 3HG1 VAL 5 HG11 VAL 5 -2.137 7.495 0.903 39 1HG2 VAL 5 HG23 VAL 5 1.567 6.474 0.980 40 2HG2 VAL 5 HG22 VAL 5 1.102 4.790 1.222 41 3HG2 VAL 5 HG21 VAL 5 0.669 5.618 -0.274 42 H TYR 6 HN TYR 6 0.148 4.489 3.682 43 HA TYR 6 HA TYR 6 3.054 4.929 4.110 44 1HB TYR 6 HB2 TYR 6 2.353 5.316 6.315 45 2HB TYR 6 HB1 TYR 6 1.015 4.180 6.191 46 HD1 TYR 6 HD1 TYR 6 4.727 4.429 6.400 47 HD2 TYR 6 HD2 TYR 6 1.286 1.881 6.763 48 HE1 TYR 6 HE1 TYR 6 6.148 2.647 7.376 49 HE2 TYR 6 HE2 TYR 6 2.708 0.100 7.739 50 HH TYR 6 HH TYR 6 6.024 0.085 7.547 51 H ILE 7 HN ILE 7 4.249 3.057 3.714 52 HA ILE 7 HA ILE 7 2.961 0.428 3.569 53 HB ILE 7 HB ILE 7 3.231 0.043 1.229 54 1HG1 ILE 7 HG12 ILE 7 4.163 2.093 -0.159 55 2HG1 ILE 7 HG11 ILE 7 4.938 2.509 1.370 56 1HG2 ILE 7 HG21 ILE 7 1.253 1.416 1.793 57 2HG2 ILE 7 HG23 ILE 7 2.205 2.879 1.537 58 3HG2 ILE 7 HG22 ILE 7 1.868 1.797 0.187 59 1HD1 ILE 7 HD11 ILE 7 5.138 -0.327 0.480 60 2HD1 ILE 7 HD13 ILE 7 6.090 0.861 -0.410 61 3HD1 ILE 7 HD12 ILE 7 6.320 0.671 1.328 62 H ALA 8 HN ALA 8 4.616 -1.262 3.388 63 HA ALA 8 HA ALA 8 7.419 -0.263 3.320 64 1HB ALA 8 HB3 ALA 8 6.080 -1.604 5.642 65 2HB ALA 8 HB2 ALA 8 7.811 -1.802 5.369 66 3HB ALA 8 HB1 ALA 8 7.136 -0.194 5.636 67 H PHE 9 HN PHE 9 8.818 -2.445 3.904 68 HA PHE 9 HA PHE 9 7.577 -4.683 2.474 69 1HB PHE 9 HB2 PHE 9 9.479 -2.981 1.234 70 2HB PHE 9 HB1 PHE 9 10.265 -4.542 1.534 71 HD1 PHE 9 HD1 PHE 9 6.997 -3.147 0.451 72 HD2 PHE 9 HD2 PHE 9 9.835 -6.346 0.099 73 HE1 PHE 9 HE1 PHE 9 5.541 -4.237 -1.194 74 HE2 PHE 9 HE2 PHE 9 8.385 -7.429 -1.575 75 HZ PHE 9 HZ PHE 9 6.239 -6.378 -2.248 76 H GLN 10 HN GLN 10 9.051 -6.565 2.422 77 HA GLN 10 HA GLN 10 11.140 -7.034 4.267 78 1HB GLN 10 HB2 GLN 10 9.745 -8.333 6.011 79 2HB GLN 10 HB1 GLN 10 9.783 -6.574 6.132 80 1HG GLN 10 HG2 GLN 10 7.691 -7.170 4.348 81 2HG GLN 10 HG1 GLN 10 7.521 -8.311 5.682 82 1HE2 GLN 10 HE22 GLN 10 6.447 -4.495 6.260 83 2HE2 GLN 10 HE21 GLN 10 6.759 -5.153 4.726 84 H ASP 11 HN ASP 11 11.992 -8.571 2.976 85 HA ASP 11 HA ASP 11 10.263 -10.866 2.152 86 1HB ASP 11 HB2 ASP 11 11.859 -9.263 0.591 87 2HB ASP 11 HB1 ASP 11 12.932 -10.622 0.926 88 H ASN 12 HN ASN 12 12.501 -12.529 1.497 89 HA ASN 12 HA ASN 12 13.694 -13.069 4.184 90 1HB ASN 12 HB2 ASN 12 11.745 -14.623 3.402 91 2HB ASN 12 HB1 ASN 12 12.934 -15.276 2.274 92 1HD2 ASN 12 HD22 ASN 12 12.985 -16.922 5.784 93 2HD2 ASN 12 HD21 ASN 12 11.646 -16.382 4.891 94 H ASP 13 HN ASP 13 13.908 -14.272 0.820 95 HA ASP 13 HA ASP 13 16.867 -13.844 0.978 96 1HB ASP 13 HB2 ASP 13 16.272 -16.242 0.866 97 2HB ASP 13 HB1 ASP 13 15.337 -15.939 -0.599 98 H ASN 14 HN ASN 14 13.940 -13.070 -0.598 99 HA ASN 14 HA ASN 14 15.177 -12.301 -3.145 100 1HB ASN 14 HB2 ASN 14 12.494 -12.612 -2.104 101 2HB ASN 14 HB1 ASN 14 12.666 -11.038 -2.880 102 1HD2 ASN 14 HD22 ASN 14 13.175 -12.403 -6.143 103 2HD2 ASN 14 HD21 ASN 14 13.414 -11.030 -5.175 104 H ALA 15 HN ALA 15 15.557 -11.076 -0.186 105 HA ALA 15 HA ALA 15 14.876 -8.408 -0.068 106 1HB ALA 15 HB3 ALA 15 16.318 -9.659 1.587 107 2HB ALA 15 HB2 ALA 15 17.680 -9.419 0.492 108 3HB ALA 15 HB1 ALA 15 16.884 -8.028 1.229 109 H ARG 16 HN ARG 16 17.254 -9.900 -2.197 110 HA ARG 16 HA ARG 16 18.612 -7.626 -3.150 111 1HB ARG 16 HB2 ARG 16 19.332 -9.744 -3.966 112 2HB ARG 16 HB1 ARG 16 17.718 -10.159 -4.539 113 1HG ARG 16 HG2 ARG 16 17.860 -8.709 -6.382 114 2HG ARG 16 HG1 ARG 16 19.158 -7.761 -5.656 115 1HD ARG 16 HD2 ARG 16 19.622 -10.667 -6.247 116 2HD ARG 16 HD1 ARG 16 19.716 -9.494 -7.560 117 HE ARG 16 HE ARG 16 21.295 -8.395 -5.561 118 1HH1 ARG 16 HH21 ARG 16 21.105 -11.403 -7.250 119 2HH1 ARG 16 HH22 ARG 16 22.799 -11.734 -7.112 120 1HH2 ARG 16 HH11 ARG 16 23.503 -8.819 -5.372 121 2HH2 ARG 16 HH12 ARG 16 24.155 -10.273 -6.050 122 H TYR 17 HN TYR 17 15.629 -9.039 -4.553 123 HA TYR 17 HA TYR 17 15.158 -6.865 -6.341 124 1HB TYR 17 HB2 TYR 17 13.518 -9.096 -5.222 125 2HB TYR 17 HB1 TYR 17 12.665 -7.753 -5.986 126 HD1 TYR 17 HD1 TYR 17 15.762 -9.788 -6.609 127 HD2 TYR 17 HD2 TYR 17 12.226 -7.990 -8.255 128 HE1 TYR 17 HE1 TYR 17 16.345 -10.690 -8.843 129 HE2 TYR 17 HE2 TYR 17 12.808 -8.893 -10.491 130 HH TYR 17 HH TYR 17 14.481 -9.823 -11.716 131 H VAL 18 HN VAL 18 14.359 -7.346 -2.939 132 HA VAL 18 HA VAL 18 12.447 -5.271 -2.635 133 HB VAL 18 HB VAL 18 14.571 -6.301 -0.736 134 1HG1 VAL 18 HG12 VAL 18 12.724 -4.017 -0.527 135 2HG1 VAL 18 HG11 VAL 18 12.606 -5.157 0.814 136 3HG1 VAL 18 HG13 VAL 18 14.153 -4.399 0.434 137 1HG2 VAL 18 HG22 VAL 18 12.158 -7.387 -1.670 138 2HG2 VAL 18 HG21 VAL 18 13.077 -7.927 -0.264 139 3HG2 VAL 18 HG23 VAL 18 11.777 -6.751 -0.070 140 H VAL 19 HN VAL 19 16.002 -5.169 -2.616 141 HA VAL 19 HA VAL 19 16.165 -2.338 -2.055 142 HB VAL 19 HB VAL 19 18.139 -4.219 -3.391 143 1HG1 VAL 19 HG13 VAL 19 18.266 -1.334 -2.586 144 2HG1 VAL 19 HG12 VAL 19 19.713 -2.327 -2.409 145 3HG1 VAL 19 HG11 VAL 19 18.965 -2.133 -3.994 146 1HG2 VAL 19 HG21 VAL 19 17.393 -4.675 -0.985 147 2HG2 VAL 19 HG23 VAL 19 19.126 -4.458 -1.226 148 3HG2 VAL 19 HG22 VAL 19 18.157 -3.143 -0.561 149 H GLU 20 HN GLU 20 15.807 -4.293 -4.942 150 HA GLU 20 HA GLU 20 16.457 -2.304 -6.883 151 1HB GLU 20 HB2 GLU 20 16.176 -4.729 -7.386 152 2HB GLU 20 HB1 GLU 20 14.440 -4.555 -7.121 153 1HG GLU 20 HG2 GLU 20 14.678 -4.328 -9.463 154 2HG GLU 20 HG1 GLU 20 14.561 -2.665 -8.886 155 H ALA 21 HN ALA 21 13.292 -3.240 -5.500 156 HA ALA 21 HA ALA 21 11.789 -1.237 -6.878 157 1HB ALA 21 HB1 ALA 21 11.365 -2.996 -4.513 158 2HB ALA 21 HB3 ALA 21 10.344 -1.563 -4.622 159 3HB ALA 21 HB2 ALA 21 10.341 -2.749 -5.927 160 H ILE 22 HN ILE 22 13.473 -1.241 -3.750 161 HA ILE 22 HA ILE 22 12.610 1.213 -2.712 162 HB ILE 22 HB ILE 22 15.231 -0.264 -2.577 163 1HG1 ILE 22 HG12 ILE 22 13.240 -1.006 -1.279 164 2HG1 ILE 22 HG11 ILE 22 14.567 -0.499 -0.232 165 1HG2 ILE 22 HG22 ILE 22 14.633 2.436 -1.323 166 2HG2 ILE 22 HG21 ILE 22 16.008 1.414 -0.906 167 3HG2 ILE 22 HG23 ILE 22 15.879 2.100 -2.526 168 1HD1 ILE 22 HD13 ILE 22 13.071 1.835 -0.794 169 2HD1 ILE 22 HD12 ILE 22 11.896 0.578 -0.405 170 3HD1 ILE 22 HD11 ILE 22 13.174 0.976 0.744 171 H ILE 23 HN ILE 23 15.145 0.617 -5.153 172 HA ILE 23 HA ILE 23 15.834 3.411 -5.436 173 HB ILE 23 HB ILE 23 16.156 1.137 -7.420 174 1HG1 ILE 23 HG12 ILE 23 17.200 0.742 -5.180 175 2HG1 ILE 23 HG11 ILE 23 18.390 0.891 -6.474 176 1HG2 ILE 23 HG23 ILE 23 16.778 3.978 -7.502 177 2HG2 ILE 23 HG22 ILE 23 18.235 2.999 -7.668 178 3HG2 ILE 23 HG21 ILE 23 16.891 2.775 -8.787 179 1HD1 ILE 23 HD13 ILE 23 18.117 3.503 -5.692 180 2HD1 ILE 23 HD12 ILE 23 17.894 2.657 -4.161 181 3HD1 ILE 23 HD11 ILE 23 19.369 2.415 -5.096 182 H GLN 24 HN GLN 24 13.454 1.284 -6.927 183 HA GLN 24 HA GLN 24 12.621 3.411 -8.807 184 1HB GLN 24 HB2 GLN 24 12.097 0.503 -8.483 185 2HB GLN 24 HB1 GLN 24 10.768 1.461 -9.136 186 1HG GLN 24 HG2 GLN 24 11.983 0.847 -11.058 187 2HG GLN 24 HG1 GLN 24 12.566 2.477 -10.715 188 1HE2 GLN 24 HE22 GLN 24 15.058 -0.721 -10.039 189 2HE2 GLN 24 HE21 GLN 24 13.384 -0.978 -10.145 190 H ASP 25 HN ASP 25 12.161 2.944 -5.620 191 HA ASP 25 HA ASP 25 9.309 3.851 -5.729 192 1HB ASP 25 HB2 ASP 25 10.559 1.772 -4.206 193 2HB ASP 25 HB1 ASP 25 10.026 3.031 -3.093 194 H ASN 26 HN ASN 26 12.500 4.731 -5.007 195 HA ASN 26 HA ASN 26 11.778 6.720 -2.962 196 1HB ASN 26 HB2 ASN 26 14.295 5.738 -4.215 197 2HB ASN 26 HB1 ASN 26 14.309 7.333 -3.466 198 1HD2 ASN 26 HD22 ASN 26 13.135 4.355 -0.900 199 2HD2 ASN 26 HD21 ASN 26 12.386 4.503 -2.415 200 HA PRO 27 HA PRO 27 13.459 9.755 -6.399 201 1HB PRO 27 HB2 PRO 27 12.804 8.471 -8.888 202 2HB PRO 27 HB1 PRO 27 14.383 9.053 -8.344 203 1HG PRO 27 HG2 PRO 27 13.503 6.327 -8.579 204 2HG PRO 27 HG1 PRO 27 15.074 6.915 -8.020 205 1HD PRO 27 HD2 PRO 27 12.974 5.742 -6.450 206 2HD PRO 27 HD1 PRO 27 14.546 6.341 -5.896 207 H HIS 28 HN HIS 28 10.828 7.446 -6.658 208 HA HIS 28 HA HIS 28 9.013 9.557 -7.691 209 1HB HIS 28 HB2 HIS 28 9.195 6.869 -8.258 210 2HB HIS 28 HB1 HIS 28 7.884 6.907 -7.080 211 HD1 HIS 28 HD1 HIS 28 6.841 9.793 -7.938 212 HD2 HIS 28 HD2 HIS 28 7.515 6.587 -10.514 213 HE1 HIS 28 HE1 HIS 28 5.417 10.212 -9.990 214 H ALA 29 HN ALA 29 9.501 7.423 -4.881 215 HA ALA 29 HA ALA 29 7.296 8.879 -3.488 216 1HB ALA 29 HB3 ALA 29 7.688 6.223 -3.588 217 2HB ALA 29 HB2 ALA 29 8.688 6.593 -2.183 218 3HB ALA 29 HB1 ALA 29 6.976 7.016 -2.183 219 H VAL 30 HN VAL 30 8.276 8.332 -0.849 220 HA VAL 30 HA VAL 30 10.388 10.414 -0.713 221 HB VAL 30 HB VAL 30 8.929 9.199 1.633 222 1HG1 VAL 30 HG11 VAL 30 10.761 11.424 1.136 223 2HG1 VAL 30 HG13 VAL 30 9.303 11.926 1.993 224 3HG1 VAL 30 HG12 VAL 30 10.324 10.652 2.660 225 1HG2 VAL 30 HG21 VAL 30 7.246 9.920 -0.036 226 2HG2 VAL 30 HG23 VAL 30 7.238 10.975 1.377 227 3HG2 VAL 30 HG22 VAL 30 8.015 11.506 -0.115 228 H VAL 31 HN VAL 31 10.693 8.855 2.144 229 HA VAL 31 HA VAL 31 12.211 6.522 1.289 230 HB VAL 31 HB VAL 31 14.064 8.218 2.770 231 1HG1 VAL 31 HG13 VAL 31 14.037 6.197 0.727 232 2HG1 VAL 31 HG12 VAL 31 15.012 7.560 0.177 233 3HG1 VAL 31 HG11 VAL 31 15.395 6.761 1.702 234 1HG2 VAL 31 HG22 VAL 31 12.869 10.001 1.467 235 2HG2 VAL 31 HG21 VAL 31 14.563 9.826 1.012 236 3HG2 VAL 31 HG23 VAL 31 13.299 9.149 -0.016 237 H GLN 32 HN GLN 32 12.560 5.126 3.011 238 HA GLN 32 HA GLN 32 12.622 5.929 5.763 239 1HB GLN 32 HB2 GLN 32 10.003 5.714 4.588 240 2HB GLN 32 HB1 GLN 32 10.213 4.434 5.782 241 1HG GLN 32 HG2 GLN 32 11.250 6.402 7.224 242 2HG GLN 32 HG1 GLN 32 10.257 7.402 6.163 243 1HE2 GLN 32 HE22 GLN 32 7.341 5.215 7.322 244 2HE2 GLN 32 HE21 GLN 32 8.192 5.238 5.854 245 H HIS 33 HN HIS 33 14.307 4.408 5.885 246 HA HIS 33 HA HIS 33 13.508 1.557 5.442 247 1HB HIS 33 HB2 HIS 33 15.765 3.026 4.511 248 2HB HIS 33 HB1 HIS 33 16.350 1.859 5.697 249 HD1 HIS 33 HD1 HIS 33 16.509 -0.536 4.951 250 HD2 HIS 33 HD2 HIS 33 14.162 1.750 2.373 251 HE1 HIS 33 HE1 HIS 33 15.956 -2.024 2.976 252 H HIS 34 HN HIS 34 14.359 0.007 7.027 253 HA HIS 34 HA HIS 34 14.895 1.293 9.677 254 1HB HIS 34 HB2 HIS 34 12.927 -0.666 8.856 255 2HB HIS 34 HB1 HIS 34 13.973 -1.334 10.108 256 HD1 HIS 34 HD1 HIS 34 12.449 2.135 9.578 257 HD2 HIS 34 HD2 HIS 34 12.810 -0.776 12.539 258 HE1 HIS 34 HE1 HIS 34 11.333 3.077 11.646 259 HA PRO 35 HA PRO 35 18.292 -1.453 9.961 260 1HB PRO 35 HB2 PRO 35 17.820 -2.718 12.494 261 2HB PRO 35 HB1 PRO 35 18.799 -1.282 12.163 262 1HG PRO 35 HG2 PRO 35 16.226 -1.406 13.461 263 2HG PRO 35 HG1 PRO 35 17.223 0.022 13.153 264 1HD PRO 35 HD2 PRO 35 14.781 -0.728 11.840 265 2HD PRO 35 HD1 PRO 35 15.803 0.683 11.510 266 H ALA 36 HN ALA 36 15.525 -2.824 9.231 267 HA ALA 36 HA ALA 36 16.709 -5.472 8.814 268 1HB ALA 36 HB1 ALA 36 14.572 -4.972 10.850 269 2HB ALA 36 HB3 ALA 36 14.476 -6.446 9.887 270 3HB ALA 36 HB2 ALA 36 15.898 -6.135 10.882 271 H MET 37 HN MET 37 13.299 -4.458 9.051 272 HA MET 37 HA MET 37 12.857 -5.348 6.281 273 1HB MET 37 HB2 MET 37 10.484 -4.695 6.764 274 2HB MET 37 HB1 MET 37 11.132 -5.841 7.939 275 1HG MET 37 HG2 MET 37 11.708 -3.107 8.730 276 2HG MET 37 HG1 MET 37 9.976 -3.347 8.503 277 1HE MET 37 HE3 MET 37 10.087 -2.488 10.677 278 2HE MET 37 HE2 MET 37 9.633 -3.574 11.988 279 3HE MET 37 HE1 MET 37 11.295 -3.002 11.864 280 H ILE 38 HN ILE 38 11.615 -3.773 4.779 281 HA ILE 38 HA ILE 38 12.987 -1.127 5.000 282 HB ILE 38 HB ILE 38 13.435 -1.892 2.868 283 1HG1 ILE 38 HG12 ILE 38 12.041 0.266 2.763 284 2HG1 ILE 38 HG11 ILE 38 12.190 -0.659 1.277 285 1HG2 ILE 38 HG21 ILE 38 10.804 -3.301 3.114 286 2HG2 ILE 38 HG23 ILE 38 11.529 -3.072 1.522 287 3HG2 ILE 38 HG22 ILE 38 12.402 -3.963 2.768 288 1HD1 ILE 38 HD12 ILE 38 9.936 -1.698 2.652 289 2HD1 ILE 38 HD11 ILE 38 9.798 0.056 2.697 290 3HD1 ILE 38 HD13 ILE 38 9.952 -0.776 1.151 291 H ARG 39 HN ARG 39 11.635 0.838 4.396 292 HA ARG 39 HA ARG 39 8.748 0.479 5.028 293 1HB ARG 39 HB2 ARG 39 10.764 1.804 6.691 294 2HB ARG 39 HB1 ARG 39 9.399 2.852 6.305 295 1HG ARG 39 HG2 ARG 39 7.823 1.267 7.191 296 2HG ARG 39 HG1 ARG 39 9.073 0.034 7.358 297 1HD ARG 39 HD2 ARG 39 8.891 0.878 9.542 298 2HD ARG 39 HD1 ARG 39 10.259 1.780 8.889 299 HE ARG 39 HE ARG 39 8.067 3.371 8.294 300 1HH1 ARG 39 HH21 ARG 39 9.382 1.868 11.113 301 2HH1 ARG 39 HH22 ARG 39 8.801 3.091 12.192 302 1HH2 ARG 39 HH11 ARG 39 7.307 4.971 9.694 303 2HH2 ARG 39 HH12 ARG 39 7.629 4.845 11.391 304 H ILE 40 HN ILE 40 7.469 2.463 4.426 305 HA ILE 40 HA ILE 40 8.802 4.432 2.719 306 HB ILE 40 HB ILE 40 6.827 2.473 1.515 307 1HG1 ILE 40 HG12 ILE 40 9.800 2.909 1.085 308 2HG1 ILE 40 HG11 ILE 40 9.031 1.466 1.746 309 1HG2 ILE 40 HG21 ILE 40 8.193 4.957 0.456 310 2HG2 ILE 40 HG23 ILE 40 7.486 3.737 -0.604 311 3HG2 ILE 40 HG22 ILE 40 6.463 4.622 0.528 312 1HD1 ILE 40 HD13 ILE 40 7.947 2.271 -0.862 313 2HD1 ILE 40 HD12 ILE 40 9.656 1.842 -0.914 314 3HD1 ILE 40 HD11 ILE 40 8.474 0.684 -0.305 315 H GLU 41 HN GLU 41 7.186 6.040 1.869 316 HA GLU 41 HA GLU 41 4.484 6.001 3.029 317 1HB GLU 41 HB2 GLU 41 6.604 7.129 4.545 318 2HB GLU 41 HB1 GLU 41 5.680 8.481 3.891 319 1HG GLU 41 HG2 GLU 41 3.729 6.658 4.696 320 2HG GLU 41 HG1 GLU 41 4.941 6.579 5.974 321 H ALA 42 HN ALA 42 3.311 8.087 2.379 322 HA ALA 42 HA ALA 42 4.591 9.674 0.278 323 1HB ALA 42 HB3 ALA 42 3.133 7.285 -0.395 324 2HB ALA 42 HB2 ALA 42 2.275 8.694 -1.018 325 3HB ALA 42 HB1 ALA 42 3.957 8.415 -1.470 326 H GLU 43 HN GLU 43 2.340 10.642 -0.981 327 HA GLU 43 HA GLU 43 0.550 11.635 1.169 328 1HB GLU 43 HB2 GLU 43 0.777 13.941 0.116 329 2HB GLU 43 HB1 GLU 43 2.180 13.376 1.024 330 1HG GLU 43 HG2 GLU 43 3.418 13.719 -0.825 331 2HG GLU 43 HG1 GLU 43 2.543 12.389 -1.583 332 H LYS 44 HN LYS 44 -1.268 10.534 0.278 333 HA LYS 44 HA LYS 44 -2.171 11.602 -2.342 334 1HB LYS 44 HB2 LYS 44 -2.435 8.666 -1.728 335 2HB LYS 44 HB1 LYS 44 -2.574 9.484 -3.282 336 1HG LYS 44 HG2 LYS 44 -0.208 9.918 -3.360 337 2HG LYS 44 HG1 LYS 44 0.000 9.385 -1.691 338 1HD LYS 44 HD2 LYS 44 -0.829 7.109 -2.400 339 2HD LYS 44 HD1 LYS 44 -0.778 7.676 -4.069 340 1HE LYS 44 HE2 LYS 44 1.545 7.400 -2.147 341 2HE LYS 44 HE1 LYS 44 1.299 6.540 -3.667 342 1HZ LYS 44 HZ1 LYS 44 1.637 9.480 -3.440 343 2HZ LYS 44 HZ3 LYS 44 2.883 8.401 -3.840 344 3HZ LYS 44 HZ2 LYS 44 1.546 8.574 -4.874 345 H ARG 45 HN ARG 45 -4.456 10.064 -2.624 346 HA ARG 45 HA ARG 45 -6.042 9.968 -0.187 347 1HB ARG 45 HB2 ARG 45 -7.521 11.834 -0.697 348 2HB ARG 45 HB1 ARG 45 -5.863 12.441 -0.622 349 1HG ARG 45 HG2 ARG 45 -5.719 12.117 -3.119 350 2HG ARG 45 HG1 ARG 45 -7.446 11.756 -3.113 351 1HD ARG 45 HD2 ARG 45 -7.160 14.131 -1.616 352 2HD ARG 45 HD1 ARG 45 -6.132 14.334 -3.034 353 HE ARG 45 HE ARG 45 -8.503 13.337 -4.068 354 1HH1 ARG 45 HH21 ARG 45 -7.571 15.959 -2.020 355 2HH1 ARG 45 HH22 ARG 45 -8.864 16.989 -2.537 356 1HH2 ARG 45 HH11 ARG 45 -10.189 14.671 -4.747 357 2HH2 ARG 45 HH12 ARG 45 -10.344 16.262 -4.079 358 H LEU 46 HN LEU 46 -8.457 9.610 -0.859 359 HA LEU 46 HA LEU 46 -8.905 8.771 -3.623 360 1HB LEU 46 HB2 LEU 46 -7.859 6.900 -1.795 361 2HB LEU 46 HB1 LEU 46 -9.552 6.499 -1.979 362 HG LEU 46 HG LEU 46 -8.011 5.336 -3.601 363 1HD1 LEU 46 HD12 LEU 46 -10.233 7.138 -4.536 364 2HD1 LEU 46 HD11 LEU 46 -9.460 5.972 -5.608 365 3HD1 LEU 46 HD13 LEU 46 -10.303 5.417 -4.162 366 1HD2 LEU 46 HD23 LEU 46 -6.480 7.254 -3.985 367 2HD2 LEU 46 HD22 LEU 46 -7.141 6.624 -5.490 368 3HD2 LEU 46 HD21 LEU 46 -7.780 8.114 -4.807 369 H GLU 47 HN GLU 47 -11.137 8.673 -4.065 370 HA GLU 47 HA GLU 47 -12.986 8.702 -1.733 371 1HB GLU 47 HB2 GLU 47 -12.333 11.045 -2.919 372 2HB GLU 47 HB1 GLU 47 -13.662 10.541 -3.965 373 1HG GLU 47 HG2 GLU 47 -14.725 9.982 -1.528 374 2HG GLU 47 HG1 GLU 47 -13.706 11.363 -1.119 375 H ILE 48 HN ILE 48 -14.892 7.579 -2.134 376 HA ILE 48 HA ILE 48 -15.644 6.931 -4.917 377 HB ILE 48 HB ILE 48 -15.126 4.723 -2.906 378 1HG1 ILE 48 HG12 ILE 48 -13.304 4.170 -4.699 379 2HG1 ILE 48 HG11 ILE 48 -13.439 5.876 -5.120 380 1HG2 ILE 48 HG22 ILE 48 -16.018 4.825 -5.790 381 2HG2 ILE 48 HG21 ILE 48 -15.306 3.370 -5.092 382 3HG2 ILE 48 HG23 ILE 48 -16.804 4.023 -4.430 383 1HD1 ILE 48 HD13 ILE 48 -13.323 5.749 -2.290 384 2HD1 ILE 48 HD12 ILE 48 -12.057 4.682 -2.896 385 3HD1 ILE 48 HD11 ILE 48 -12.093 6.375 -3.388 386 H ARG 49 HN ARG 49 -17.771 5.803 -4.995 387 HA ARG 49 HA ARG 49 -19.490 6.713 -2.748 388 1HB ARG 49 HB2 ARG 49 -20.571 5.562 -5.298 389 2HB ARG 49 HB1 ARG 49 -21.254 6.819 -4.267 390 1HG ARG 49 HG2 ARG 49 -18.834 7.911 -5.076 391 2HG ARG 49 HG1 ARG 49 -19.399 7.066 -6.518 392 1HD ARG 49 HD2 ARG 49 -21.636 8.387 -5.347 393 2HD ARG 49 HD1 ARG 49 -20.322 9.556 -5.447 394 HE ARG 49 HE ARG 49 -21.901 8.696 -7.632 395 1HH1 ARG 49 HH21 ARG 49 -18.549 9.016 -6.806 396 2HH1 ARG 49 HH22 ARG 49 -18.021 8.969 -8.452 397 1HH2 ARG 49 HH11 ARG 49 -21.210 8.665 -9.762 398 2HH2 ARG 49 HH12 ARG 49 -19.519 8.783 -10.119 399 H ARG 50 HN ARG 50 -21.629 4.841 -3.463 400 HA ARG 50 HA ARG 50 -20.858 2.648 -1.750 401 1HB ARG 50 HB2 ARG 50 -23.084 1.730 -2.303 402 2HB ARG 50 HB1 ARG 50 -23.189 3.440 -1.887 403 1HG ARG 50 HG2 ARG 50 -23.339 4.075 -4.206 404 2HG ARG 50 HG1 ARG 50 -22.966 2.434 -4.735 405 1HD ARG 50 HD2 ARG 50 -25.195 2.338 -2.941 406 2HD ARG 50 HD1 ARG 50 -25.527 3.552 -4.175 407 HE ARG 50 HE ARG 50 -25.673 0.745 -4.559 408 1HH1 ARG 50 HH21 ARG 50 -24.233 3.516 -6.057 409 2HH1 ARG 50 HH22 ARG 50 -23.995 2.718 -7.572 410 1HH2 ARG 50 HH11 ARG 50 -25.379 -0.278 -6.536 411 2HH2 ARG 50 HH12 ARG 50 -24.647 0.586 -7.847 412 H GLU 51 HN GLU 51 -20.389 3.249 -5.067 413 HA GLU 51 HA GLU 51 -20.589 0.588 -6.110 414 1HB GLU 51 HB2 GLU 51 -20.460 2.523 -7.595 415 2HB GLU 51 HB1 GLU 51 -18.847 2.904 -6.993 416 1HG GLU 51 HG2 GLU 51 -17.864 1.303 -8.268 417 2HG GLU 51 HG1 GLU 51 -19.143 0.133 -7.941 418 H THR 52 HN THR 52 -18.447 1.900 -3.835 419 HA THR 52 HA THR 52 -16.018 0.585 -4.522 420 HB THR 52 HB THR 52 -16.745 0.714 -1.643 421 HG1 THR 52 HG1 THR 52 -16.082 3.164 -2.479 422 1HG2 THR 52 HG22 THR 52 -14.416 0.992 -3.407 423 2HG2 THR 52 HG21 THR 52 -14.471 2.206 -2.128 424 3HG2 THR 52 HG23 THR 52 -14.492 0.491 -1.718 425 H VAL 53 HN VAL 53 -18.870 -0.554 -2.728 426 HA VAL 53 HA VAL 53 -17.958 -3.018 -1.793 427 HB VAL 53 HB VAL 53 -20.602 -2.474 -3.189 428 1HG1 VAL 53 HG11 VAL 53 -19.443 -4.877 -2.088 429 2HG1 VAL 53 HG13 VAL 53 -20.848 -4.402 -1.133 430 3HG1 VAL 53 HG12 VAL 53 -21.010 -4.664 -2.870 431 1HG2 VAL 53 HG21 VAL 53 -19.524 -1.938 -0.456 432 2HG2 VAL 53 HG23 VAL 53 -20.693 -1.016 -1.401 433 3HG2 VAL 53 HG22 VAL 53 -21.195 -2.489 -0.572 434 H GLU 54 HN GLU 54 -18.696 -2.019 -5.080 435 HA GLU 54 HA GLU 54 -18.423 -4.649 -6.267 436 1HB GLU 54 HB2 GLU 54 -19.583 -3.040 -7.590 437 2HB GLU 54 HB1 GLU 54 -18.324 -1.828 -7.360 438 1HG GLU 54 HG2 GLU 54 -17.133 -2.602 -9.110 439 2HG GLU 54 HG1 GLU 54 -17.266 -4.269 -8.550 440 H GLU 55 HN GLU 55 -16.270 -1.840 -5.849 441 HA GLU 55 HA GLU 55 -13.964 -2.769 -7.124 442 1HB GLU 55 HB2 GLU 55 -14.273 -1.256 -4.517 443 2HB GLU 55 HB1 GLU 55 -12.707 -1.542 -5.274 444 1HG GLU 55 HG2 GLU 55 -14.514 -0.570 -7.273 445 2HG GLU 55 HG1 GLU 55 -14.587 0.509 -5.879 446 H ASN 56 HN ASN 56 -15.075 -3.534 -3.818 447 HA ASN 56 HA ASN 56 -12.908 -5.261 -3.133 448 1HB ASN 56 HB2 ASN 56 -15.088 -4.329 -1.795 449 2HB ASN 56 HB1 ASN 56 -15.596 -5.989 -2.111 450 1HD2 ASN 56 HD22 ASN 56 -12.609 -7.277 -0.323 451 2HD2 ASN 56 HD21 ASN 56 -13.298 -7.473 -1.862 452 H LEU 57 HN LEU 57 -15.980 -5.836 -4.804 453 HA LEU 57 HA LEU 57 -15.901 -8.657 -4.935 454 1HB LEU 57 HB2 LEU 57 -17.845 -7.429 -5.726 455 2HB LEU 57 HB1 LEU 57 -16.887 -6.648 -6.983 456 HG LEU 57 HG LEU 57 -16.357 -9.151 -7.679 457 1HD1 LEU 57 HD13 LEU 57 -18.974 -9.332 -6.163 458 2HD1 LEU 57 HD12 LEU 57 -18.419 -10.549 -7.313 459 3HD1 LEU 57 HD11 LEU 57 -17.496 -10.239 -5.842 460 1HD2 LEU 57 HD23 LEU 57 -18.871 -7.565 -8.228 461 2HD2 LEU 57 HD22 LEU 57 -17.423 -7.692 -9.227 462 3HD2 LEU 57 HD21 LEU 57 -18.514 -9.069 -9.079 463 H GLY 58 HN GLY 58 -14.629 -6.329 -7.356 464 1HA GLY 58 HA2 GLY 58 -13.262 -8.402 -8.845 465 2HA GLY 58 HA1 GLY 58 -13.022 -6.666 -9.043 466 H ARG 59 HN ARG 59 -12.606 -6.921 -5.883 467 HA ARG 59 HA ARG 59 -9.669 -7.120 -6.146 468 1HB ARG 59 HB2 ARG 59 -11.179 -5.386 -4.737 469 2HB ARG 59 HB1 ARG 59 -10.935 -6.618 -3.498 470 1HG ARG 59 HG2 ARG 59 -8.808 -5.954 -3.179 471 2HG ARG 59 HG1 ARG 59 -8.457 -6.115 -4.900 472 1HD ARG 59 HD2 ARG 59 -8.099 -3.796 -4.208 473 2HD ARG 59 HD1 ARG 59 -9.486 -3.883 -5.293 474 HE ARG 59 HE ARG 59 -10.600 -4.111 -2.762 475 1HH1 ARG 59 HH21 ARG 59 -8.482 -1.916 -4.384 476 2HH1 ARG 59 HH22 ARG 59 -8.999 -0.541 -3.468 477 1HH2 ARG 59 HH11 ARG 59 -11.281 -2.324 -1.566 478 2HH2 ARG 59 HH12 ARG 59 -10.582 -0.770 -1.877 479 H ALA 60 HN ALA 60 -12.251 -9.152 -5.361 480 HA ALA 60 HA ALA 60 -11.445 -10.703 -3.205 481 1HB ALA 60 HB3 ALA 60 -13.361 -10.996 -5.086 482 2HB ALA 60 HB2 ALA 60 -12.231 -12.236 -5.629 483 3HB ALA 60 HB1 ALA 60 -12.891 -12.301 -3.995 484 H TRP 61 HN TRP 61 -9.887 -10.403 -6.313 485 HA TRP 61 HA TRP 61 -8.162 -12.747 -5.832 486 1HB TRP 61 HB2 TRP 61 -9.007 -12.001 -8.135 487 2HB TRP 61 HB1 TRP 61 -7.844 -10.681 -8.012 488 HD1 TRP 61 HD1 TRP 61 -7.130 -14.178 -6.646 489 HE1 TRP 61 HE1 TRP 61 -5.164 -15.196 -7.968 490 HE3 TRP 61 HE3 TRP 61 -6.565 -10.621 -10.263 491 HZ2 TRP 61 HZ2 TRP 61 -3.562 -14.580 -10.259 492 HZ3 TRP 61 HZ3 TRP 61 -4.816 -10.860 -12.002 493 HH2 TRP 61 HH2 TRP 61 -3.314 -12.833 -12.004 494 H ASP 62 HN ASP 62 -7.999 -10.741 -3.829 495 HA ASP 62 HA ASP 62 -5.316 -9.538 -4.359 496 1HB ASP 62 HB2 ASP 62 -7.304 -8.028 -3.742 497 2HB ASP 62 HB1 ASP 62 -7.201 -8.747 -2.135 498 H VAL 63 HN VAL 63 -4.525 -11.792 -3.854 499 HA VAL 63 HA VAL 63 -4.825 -12.818 -1.154 500 HB VAL 63 HB VAL 63 -2.586 -13.540 -3.042 501 1HG1 VAL 63 HG13 VAL 63 -4.075 -14.825 -0.770 502 2HG1 VAL 63 HG12 VAL 63 -3.318 -15.839 -1.998 503 3HG1 VAL 63 HG11 VAL 63 -2.335 -14.726 -1.046 504 1HG2 VAL 63 HG22 VAL 63 -5.512 -14.313 -3.171 505 2HG2 VAL 63 HG21 VAL 63 -4.530 -13.600 -4.451 506 3HG2 VAL 63 HG23 VAL 63 -4.240 -15.263 -3.938 507 H GLN 64 HN GLN 64 -3.256 -10.116 -2.185 508 HA GLN 64 HA GLN 64 -0.661 -10.175 -1.156 509 1HB GLN 64 HB2 GLN 64 -2.761 -8.063 -1.376 510 2HB GLN 64 HB1 GLN 64 -1.359 -7.715 -0.363 511 1HG GLN 64 HG2 GLN 64 -0.958 -6.971 -2.675 512 2HG GLN 64 HG1 GLN 64 0.138 -8.284 -2.247 513 1HE2 GLN 64 HE22 GLN 64 -1.282 -10.586 -4.560 514 2HE2 GLN 64 HE21 GLN 64 -0.262 -10.413 -3.213 515 H GLU 65 HN GLU 65 -3.672 -10.411 0.562 516 HA GLU 65 HA GLU 65 -2.914 -9.535 3.141 517 1HB GLU 65 HB2 GLU 65 -4.620 -11.205 3.961 518 2HB GLU 65 HB1 GLU 65 -5.216 -10.132 2.695 519 1HG GLU 65 HG2 GLU 65 -4.355 -12.053 1.095 520 2HG GLU 65 HG1 GLU 65 -4.532 -13.047 2.540 521 H MET 66 HN MET 66 -2.598 -12.801 1.705 522 HA MET 66 HA MET 66 -1.251 -13.911 4.002 523 1HB MET 66 HB2 MET 66 -1.974 -14.770 1.301 524 2HB MET 66 HB1 MET 66 -0.406 -15.399 1.809 525 1HG MET 66 HG2 MET 66 -1.696 -15.916 4.059 526 2HG MET 66 HG1 MET 66 -3.113 -15.863 3.009 527 1HE MET 66 HE1 MET 66 -1.934 -17.814 4.826 528 2HE MET 66 HE3 MET 66 -2.204 -19.384 4.056 529 3HE MET 66 HE2 MET 66 -0.564 -18.777 4.276 530 H LEU 67 HN LEU 67 -0.245 -11.833 1.475 531 HA LEU 67 HA LEU 67 2.625 -12.497 1.880 532 1HB LEU 67 HB2 LEU 67 1.641 -12.177 -0.439 533 2HB LEU 67 HB1 LEU 67 1.435 -10.475 -0.029 534 HG LEU 67 HG LEU 67 3.999 -10.749 0.698 535 1HD1 LEU 67 HD13 LEU 67 3.671 -13.236 -0.159 536 2HD1 LEU 67 HD12 LEU 67 3.968 -12.496 -1.732 537 3HD1 LEU 67 HD11 LEU 67 5.181 -12.374 -0.457 538 1HD2 LEU 67 HD23 LEU 67 2.572 -9.610 -1.427 539 2HD2 LEU 67 HD22 LEU 67 4.245 -9.269 -0.990 540 3HD2 LEU 67 HD21 LEU 67 3.883 -10.502 -2.198 541 H VAL 68 HN VAL 68 0.543 -10.852 3.589 542 HA VAL 68 HA VAL 68 1.082 -8.188 3.838 543 HB VAL 68 HB VAL 68 0.853 -10.274 6.008 544 1HG1 VAL 68 HG11 VAL 68 1.430 -7.356 6.189 545 2HG1 VAL 68 HG13 VAL 68 0.215 -8.000 7.294 546 3HG1 VAL 68 HG12 VAL 68 1.851 -8.657 7.303 547 1HG2 VAL 68 HG21 VAL 68 -0.993 -9.199 4.262 548 2HG2 VAL 68 HG23 VAL 68 -1.382 -9.914 5.827 549 3HG2 VAL 68 HG22 VAL 68 -1.175 -8.169 5.682 550 H ASP 69 HN ASP 69 3.435 -10.739 4.391 551 HA ASP 69 HA ASP 69 5.306 -9.356 6.012 552 1HB ASP 69 HB2 ASP 69 5.728 -11.267 3.725 553 2HB ASP 69 HB1 ASP 69 7.043 -10.652 4.711 554 H VAL 70 HN VAL 70 6.647 -10.012 2.948 555 HA VAL 70 HA VAL 70 8.018 -7.808 2.630 556 HB VAL 70 HB VAL 70 7.623 -10.065 1.207 557 1HG1 VAL 70 HG12 VAL 70 6.381 -7.814 -0.324 558 2HG1 VAL 70 HG11 VAL 70 7.350 -8.994 -1.194 559 3HG1 VAL 70 HG13 VAL 70 5.946 -9.515 -0.270 560 1HG2 VAL 70 HG22 VAL 70 9.369 -7.751 1.139 561 2HG2 VAL 70 HG21 VAL 70 9.747 -9.446 0.906 562 3HG2 VAL 70 HG23 VAL 70 9.205 -8.480 -0.451 563 H ILE 71 HN ILE 71 4.647 -7.761 2.437 564 HA ILE 71 HA ILE 71 4.886 -5.093 1.130 565 HB ILE 71 HB ILE 71 2.411 -5.551 0.505 566 1HG1 ILE 71 HG12 ILE 71 3.206 -8.427 0.507 567 2HG1 ILE 71 HG11 ILE 71 2.657 -7.729 2.031 568 1HG2 ILE 71 HG23 ILE 71 4.758 -6.987 -0.753 569 2HG2 ILE 71 HG22 ILE 71 3.171 -6.882 -1.515 570 3HG2 ILE 71 HG21 ILE 71 4.098 -5.415 -1.202 571 1HD1 ILE 71 HD11 ILE 71 0.946 -6.896 -0.161 572 2HD1 ILE 71 HD13 ILE 71 1.034 -8.654 -0.063 573 3HD1 ILE 71 HD12 ILE 71 0.513 -7.719 1.338 574 H THR 72 HN THR 72 4.118 -3.409 2.276 575 HA THR 72 HA THR 72 2.279 -3.942 4.558 576 HB THR 72 HB THR 72 4.018 -1.687 5.074 577 HG1 THR 72 HG1 THR 72 5.169 -4.196 4.473 578 1HG2 THR 72 HG23 THR 72 2.701 -3.801 6.432 579 2HG2 THR 72 HG22 THR 72 4.416 -3.927 6.824 580 3HG2 THR 72 HG21 THR 72 3.547 -2.425 7.140 581 H ILE 73 HN ILE 73 0.803 -2.208 4.984 582 HA ILE 73 HA ILE 73 0.792 -0.045 2.939 583 HB ILE 73 HB ILE 73 -1.854 -0.441 3.241 584 1HG1 ILE 73 HG12 ILE 73 -0.587 -3.184 3.536 585 2HG1 ILE 73 HG11 ILE 73 -1.573 -2.367 4.749 586 1HG2 ILE 73 HG23 ILE 73 0.198 -1.221 1.320 587 2HG2 ILE 73 HG22 ILE 73 -1.205 -2.288 1.256 588 3HG2 ILE 73 HG21 ILE 73 -1.407 -0.550 1.031 589 1HD1 ILE 73 HD13 ILE 73 -3.064 -2.315 2.343 590 2HD1 ILE 73 HD12 ILE 73 -2.437 -3.955 2.506 591 3HD1 ILE 73 HD11 ILE 73 -3.409 -3.250 3.798 592 H GLY 74 HN GLY 74 -0.968 1.614 3.579 593 1HA GLY 74 HA2 GLY 74 -1.811 1.980 6.265 594 2HA GLY 74 HA1 GLY 74 -0.256 2.798 6.060 595 H GLY 75 HN GLY 75 -2.755 2.358 3.617 596 1HA GLY 75 HA2 GLY 75 -3.594 5.179 3.781 597 2HA GLY 75 HA1 GLY 75 -2.749 4.713 2.301 598 H ASN 76 HN ASN 76 -5.590 4.040 4.278 599 HA ASN 76 HA ASN 76 -7.304 3.630 2.038 600 1HB ASN 76 HB2 ASN 76 -7.681 1.237 2.180 601 2HB ASN 76 HB1 ASN 76 -5.958 1.504 1.914 602 1HD2 ASN 76 HD22 ASN 76 -6.695 -0.834 4.883 603 2HD2 ASN 76 HD21 ASN 76 -7.425 -0.765 3.352 604 H VAL 77 HN VAL 77 -9.413 3.799 2.805 605 HA VAL 77 HA VAL 77 -10.181 2.938 5.422 606 HB VAL 77 HB VAL 77 -8.800 4.920 6.044 607 1HG1 VAL 77 HG11 VAL 77 -10.522 6.119 3.965 608 2HG1 VAL 77 HG13 VAL 77 -10.333 7.098 5.419 609 3HG1 VAL 77 HG12 VAL 77 -8.912 6.594 4.505 610 1HG2 VAL 77 HG23 VAL 77 -11.634 4.498 6.672 611 2HG2 VAL 77 HG22 VAL 77 -10.281 4.816 7.758 612 3HG2 VAL 77 HG21 VAL 77 -11.108 6.156 6.963 613 H ASP 78 HN ASP 78 -11.349 2.390 3.097 614 HA ASP 78 HA ASP 78 -13.197 4.071 1.924 615 1HB ASP 78 HB2 ASP 78 -12.768 1.241 2.086 616 2HB ASP 78 HB1 ASP 78 -14.495 1.590 2.107 617 H GLU 79 HN GLU 79 -13.326 3.167 5.146 618 HA GLU 79 HA GLU 79 -16.239 3.764 5.175 619 1HB GLU 79 HB2 GLU 79 -14.641 1.814 6.598 620 2HB GLU 79 HB1 GLU 79 -15.464 2.873 7.743 621 1HG GLU 79 HG2 GLU 79 -17.205 1.429 7.410 622 2HG GLU 79 HG1 GLU 79 -17.478 2.428 5.982 623 H ASP 80 HN ASP 80 -16.155 6.016 5.221 624 HA ASP 80 HA ASP 80 -14.637 7.248 7.484 625 1HB ASP 80 HB2 ASP 80 -15.093 8.022 4.730 626 2HB ASP 80 HB1 ASP 80 -15.689 9.272 5.822 627 H ASP 81 HN ASP 81 -17.462 8.501 5.748 628 HA ASP 81 HA ASP 81 -18.850 8.732 8.378 629 1HB ASP 81 HB2 ASP 81 -18.652 10.865 7.295 630 2HB ASP 81 HB1 ASP 81 -19.191 10.200 5.754 631 H ASP 82 HN ASP 82 -20.279 8.687 5.138 632 HA ASP 82 HA ASP 82 -21.690 6.156 5.876 633 1HB ASP 82 HB2 ASP 82 -22.855 8.639 4.583 634 2HB ASP 82 HB1 ASP 82 -23.696 7.091 4.679 635 H ARG 83 HN ARG 83 -20.310 8.204 3.376 636 HA ARG 83 HA ARG 83 -20.957 6.345 1.209 637 1HB ARG 83 HB2 ARG 83 -19.815 9.011 1.494 638 2HB ARG 83 HB1 ARG 83 -18.872 8.031 0.374 639 1HG ARG 83 HG2 ARG 83 -20.660 9.196 -0.833 640 2HG ARG 83 HG1 ARG 83 -20.960 7.457 -0.845 641 1HD ARG 83 HD2 ARG 83 -22.486 7.730 1.097 642 2HD ARG 83 HD1 ARG 83 -22.225 9.473 1.035 643 HE ARG 83 HE ARG 83 -23.073 8.845 -1.524 644 1HH1 ARG 83 HH21 ARG 83 -24.213 8.285 1.689 645 2HH1 ARG 83 HH22 ARG 83 -25.884 8.297 1.235 646 1HH2 ARG 83 HH11 ARG 83 -25.249 8.861 -2.125 647 2HH2 ARG 83 HH12 ARG 83 -26.470 8.622 -0.919 648 H PHE 84 HN PHE 84 -18.340 6.356 -0.086 649 HA PHE 84 HA PHE 84 -16.802 4.732 1.890 650 1HB PHE 84 HB2 PHE 84 -17.945 3.910 -0.637 651 2HB PHE 84 HB1 PHE 84 -16.188 3.756 -0.682 652 HD1 PHE 84 HD1 PHE 84 -18.673 3.378 2.096 653 HD2 PHE 84 HD2 PHE 84 -15.616 1.523 -0.278 654 HE1 PHE 84 HE1 PHE 84 -18.816 1.341 3.505 655 HE2 PHE 84 HE2 PHE 84 -15.757 -0.514 1.127 656 HZ PHE 84 HZ PHE 84 -17.357 -0.606 3.020 657 H VAL 85 HN VAL 85 -14.951 5.859 2.290 658 HA VAL 85 HA VAL 85 -13.609 7.091 -0.100 659 HB VAL 85 HB VAL 85 -14.743 8.747 1.543 660 1HG1 VAL 85 HG13 VAL 85 -13.555 7.293 3.469 661 2HG1 VAL 85 HG12 VAL 85 -12.260 8.455 3.184 662 3HG1 VAL 85 HG11 VAL 85 -13.860 9.019 3.667 663 1HG2 VAL 85 HG21 VAL 85 -11.804 8.855 0.813 664 2HG2 VAL 85 HG23 VAL 85 -13.155 9.547 -0.083 665 3HG2 VAL 85 HG22 VAL 85 -12.680 10.238 1.467 666 H LEU 86 HN LEU 86 -11.398 6.707 -0.206 667 HA LEU 86 HA LEU 86 -10.062 5.657 2.218 668 1HB LEU 86 HB2 LEU 86 -9.002 3.904 0.698 669 2HB LEU 86 HB1 LEU 86 -10.668 3.607 1.174 670 HG LEU 86 HG LEU 86 -11.037 5.062 -1.100 671 1HD1 LEU 86 HD11 LEU 86 -8.473 4.960 -1.332 672 2HD1 LEU 86 HD13 LEU 86 -8.700 3.258 -1.725 673 3HD1 LEU 86 HD12 LEU 86 -9.427 4.502 -2.741 674 1HD2 LEU 86 HD22 LEU 86 -11.183 2.299 -0.258 675 2HD2 LEU 86 HD21 LEU 86 -12.211 3.162 -1.403 676 3HD2 LEU 86 HD23 LEU 86 -10.728 2.389 -1.959 677 H GLU 87 HN GLU 87 -7.663 5.221 1.364 678 HA GLU 87 HA GLU 87 -6.865 7.813 0.136 679 1HB GLU 87 HB2 GLU 87 -5.925 6.613 2.372 680 2HB GLU 87 HB1 GLU 87 -4.741 6.085 1.187 681 1HG GLU 87 HG2 GLU 87 -4.141 8.291 0.628 682 2HG GLU 87 HG1 GLU 87 -5.622 8.961 1.312 683 H TRP 88 HN TRP 88 -4.768 7.668 -1.143 684 HA TRP 88 HA TRP 88 -5.270 5.955 -3.411 685 1HB TRP 88 HB2 TRP 88 -3.992 8.331 -3.106 686 2HB TRP 88 HB1 TRP 88 -2.613 7.241 -3.217 687 HD1 TRP 88 HD1 TRP 88 -5.163 5.578 -5.148 688 HE1 TRP 88 HE1 TRP 88 -4.994 6.111 -7.657 689 HE3 TRP 88 HE3 TRP 88 -2.044 9.637 -5.004 690 HZ2 TRP 88 HZ2 TRP 88 -3.715 7.992 -9.381 691 HZ3 TRP 88 HZ3 TRP 88 -1.373 10.772 -7.096 692 HH2 TRP 88 HH2 TRP 88 -2.201 9.955 -9.284 693 H LYS 89 HN LYS 89 -5.107 3.835 -2.326 694 HA LYS 89 HA LYS 89 -2.664 2.489 -2.761 695 1HB LYS 89 HB2 LYS 89 -2.289 4.069 -0.601 696 2HB LYS 89 HB1 LYS 89 -2.975 2.653 0.194 697 1HG LYS 89 HG2 LYS 89 -0.713 2.102 0.177 698 2HG LYS 89 HG1 LYS 89 -1.259 1.342 -1.319 699 1HD LYS 89 HD2 LYS 89 -0.594 4.109 -1.811 700 2HD LYS 89 HD1 LYS 89 0.765 3.292 -1.038 701 1HE LYS 89 HE2 LYS 89 -0.339 1.520 -2.991 702 2HE LYS 89 HE1 LYS 89 -0.089 3.090 -3.753 703 1HZ LYS 89 HZ3 LYS 89 2.155 2.799 -2.305 704 2HZ LYS 89 HZ2 LYS 89 1.846 1.193 -2.764 705 3HZ LYS 89 HZ1 LYS 89 2.014 2.400 -3.947 706 H ASN 90 HN ASN 90 -3.042 0.273 -2.618 707 HA ASN 90 HA ASN 90 -5.765 -0.575 -2.080 708 1HB ASN 90 HB2 ASN 90 -4.040 -1.580 -3.752 709 2HB ASN 90 HB1 ASN 90 -3.429 -2.459 -2.351 710 1HD2 ASN 90 HD22 ASN 90 -6.011 -4.837 -2.491 711 2HD2 ASN 90 HD21 ASN 90 -4.457 -4.423 -1.949 No H/Q in entry = 711 Start of MODEL 8 1 1H MET 1 HT3 MET 1 -3.335 20.312 -0.557 2 2H MET 1 HT2 MET 1 -4.152 19.960 -2.004 3 3H MET 1 HT1 MET 1 -4.762 19.397 -0.522 4 HA MET 1 HA MET 1 -3.114 17.800 -0.280 5 1HB MET 1 HB2 MET 1 -3.248 16.511 -2.309 6 2HB MET 1 HB1 MET 1 -4.770 17.390 -2.159 7 1HG MET 1 HG2 MET 1 -4.371 18.143 -4.253 8 2HG MET 1 HG1 MET 1 -3.143 19.176 -3.521 9 1HE MET 1 HE1 MET 1 -2.639 19.106 -6.003 10 2HE MET 1 HE3 MET 1 -1.464 17.999 -6.727 11 3HE MET 1 HE2 MET 1 -3.176 17.584 -6.711 12 H SER 2 HN SER 2 -0.988 16.933 -0.973 13 HA SER 2 HA SER 2 0.778 18.309 -2.733 14 1HB SER 2 HB2 SER 2 0.437 20.083 -0.927 15 2HB SER 2 HB1 SER 2 1.288 18.998 0.170 16 HG SER 2 HG SER 2 2.975 19.973 -0.651 17 H SER 3 HN SER 3 2.215 16.721 -3.203 18 HA SER 3 HA SER 3 3.699 14.929 -2.897 19 1HB SER 3 HB2 SER 3 3.479 15.175 0.078 20 2HB SER 3 HB1 SER 3 4.893 14.811 -0.909 21 HG SER 3 HG SER 3 5.221 16.885 -1.211 22 H LEU 4 HN LEU 4 2.385 13.172 -3.563 23 HA LEU 4 HA LEU 4 1.050 11.749 -1.342 24 1HB LEU 4 HB2 LEU 4 -0.823 11.296 -3.127 25 2HB LEU 4 HB1 LEU 4 -0.863 12.764 -2.157 26 HG LEU 4 HG LEU 4 0.555 13.783 -4.109 27 1HD1 LEU 4 HD12 LEU 4 -0.531 11.225 -5.264 28 2HD1 LEU 4 HD11 LEU 4 -0.303 12.637 -6.295 29 3HD1 LEU 4 HD13 LEU 4 1.075 11.930 -5.451 30 1HD2 LEU 4 HD21 LEU 4 -2.373 13.073 -4.466 31 2HD2 LEU 4 HD23 LEU 4 -1.753 14.450 -3.555 32 3HD2 LEU 4 HD22 LEU 4 -1.528 14.376 -5.302 33 H VAL 5 HN VAL 5 0.461 9.581 -1.820 34 HA VAL 5 HA VAL 5 2.259 8.228 -3.829 35 HB VAL 5 HB VAL 5 1.717 7.870 -0.976 36 1HG1 VAL 5 HG13 VAL 5 0.227 6.033 -2.003 37 2HG1 VAL 5 HG12 VAL 5 1.747 5.272 -2.477 38 3HG1 VAL 5 HG11 VAL 5 1.399 5.562 -0.776 39 1HG2 VAL 5 HG21 VAL 5 3.798 7.472 -2.929 40 2HG2 VAL 5 HG23 VAL 5 3.933 7.725 -1.189 41 3HG2 VAL 5 HG22 VAL 5 3.693 6.098 -1.827 42 H TYR 6 HN TYR 6 1.156 5.880 -4.091 43 HA TYR 6 HA TYR 6 -1.745 5.973 -4.214 44 1HB TYR 6 HB2 TYR 6 -1.663 7.075 -6.239 45 2HB TYR 6 HB1 TYR 6 -0.039 6.501 -6.599 46 HD1 TYR 6 HD2 TYR 6 -3.282 4.787 -5.830 47 HD2 TYR 6 HD1 TYR 6 -0.009 5.247 -8.555 48 HE1 TYR 6 HE2 TYR 6 -4.237 3.012 -7.259 49 HE2 TYR 6 HE1 TYR 6 -0.956 3.472 -9.992 50 HH TYR 6 HH TYR 6 -4.151 2.194 -9.472 51 H ILE 7 HN ILE 7 -2.569 3.826 -4.422 52 HA ILE 7 HA ILE 7 -0.778 1.678 -5.294 53 HB ILE 7 HB ILE 7 -0.947 0.453 -3.110 54 1HG1 ILE 7 HG12 ILE 7 -2.117 3.114 -2.269 55 2HG1 ILE 7 HG11 ILE 7 -2.841 1.513 -2.104 56 1HG2 ILE 7 HG22 ILE 7 1.025 1.949 -3.821 57 2HG2 ILE 7 HG21 ILE 7 0.371 3.138 -2.695 58 3HG2 ILE 7 HG23 ILE 7 0.896 1.561 -2.105 59 1HD1 ILE 7 HD13 ILE 7 -0.330 1.379 -0.826 60 2HD1 ILE 7 HD12 ILE 7 -1.075 2.887 -0.294 61 3HD1 ILE 7 HD11 ILE 7 -1.921 1.356 -0.066 62 H ALA 8 HN ALA 8 -2.086 -0.045 -6.044 63 HA ALA 8 HA ALA 8 -4.905 0.076 -5.061 64 1HB ALA 8 HB2 ALA 8 -3.967 -0.048 -7.924 65 2HB ALA 8 HB1 ALA 8 -5.590 -0.544 -7.443 66 3HB ALA 8 HB3 ALA 8 -5.063 1.118 -7.182 67 H PHE 9 HN PHE 9 -5.949 -1.924 -4.909 68 HA PHE 9 HA PHE 9 -4.356 -4.310 -5.635 69 1HB PHE 9 HB2 PHE 9 -4.584 -5.207 -3.473 70 2HB PHE 9 HB1 PHE 9 -3.997 -3.583 -3.213 71 HD1 PHE 9 HD2 PHE 9 -7.003 -5.757 -3.228 72 HD2 PHE 9 HD1 PHE 9 -5.304 -2.025 -1.954 73 HE1 PHE 9 HE2 PHE 9 -8.970 -5.365 -1.780 74 HE2 PHE 9 HE1 PHE 9 -7.271 -1.631 -0.501 75 HZ PHE 9 HZ PHE 9 -9.105 -3.297 -0.410 76 H GLN 10 HN GLN 10 -5.801 -6.338 -5.311 77 HA GLN 10 HA GLN 10 -8.627 -5.546 -5.872 78 1HB GLN 10 HB2 GLN 10 -8.427 -6.576 -7.862 79 2HB GLN 10 HB1 GLN 10 -6.786 -7.072 -7.479 80 1HG GLN 10 HG2 GLN 10 -7.840 -9.128 -7.818 81 2HG GLN 10 HG1 GLN 10 -7.985 -8.939 -6.079 82 1HE2 GLN 10 HE22 GLN 10 -11.459 -7.572 -6.919 83 2HE2 GLN 10 HE21 GLN 10 -10.044 -6.701 -6.634 84 H ASP 11 HN ASP 11 -10.248 -6.742 -4.817 85 HA ASP 11 HA ASP 11 -9.251 -8.524 -2.641 86 1HB ASP 11 HB2 ASP 11 -11.167 -7.876 -1.362 87 2HB ASP 11 HB1 ASP 11 -10.517 -6.390 -2.055 88 H ASN 12 HN ASN 12 -10.479 -10.461 -2.178 89 HA ASN 12 HA ASN 12 -11.663 -11.657 -4.562 90 1HB ASN 12 HB2 ASN 12 -11.778 -13.572 -2.687 91 2HB ASN 12 HB1 ASN 12 -10.343 -13.272 -3.640 92 1HD2 ASN 12 HD22 ASN 12 -10.356 -12.472 0.355 93 2HD2 ASN 12 HD21 ASN 12 -11.780 -12.955 -0.433 94 H ASP 13 HN ASP 13 -12.544 -10.749 -1.274 95 HA ASP 13 HA ASP 13 -15.223 -10.132 -1.749 96 1HB ASP 13 HB2 ASP 13 -15.652 -12.409 -2.456 97 2HB ASP 13 HB1 ASP 13 -14.809 -13.058 -1.050 98 H ASN 14 HN ASN 14 -12.924 -11.705 0.390 99 HA ASN 14 HA ASN 14 -14.243 -10.431 2.750 100 1HB ASN 14 HB2 ASN 14 -12.597 -12.853 2.334 101 2HB ASN 14 HB1 ASN 14 -12.194 -11.925 3.780 102 1HD2 ASN 14 HD22 ASN 14 -15.072 -14.344 4.425 103 2HD2 ASN 14 HD21 ASN 14 -13.561 -14.571 3.688 104 H ALA 15 HN ALA 15 -11.320 -10.488 0.820 105 HA ALA 15 HA ALA 15 -9.524 -9.107 2.481 106 1HB ALA 15 HB1 ALA 15 -9.796 -9.648 -0.353 107 2HB ALA 15 HB3 ALA 15 -9.172 -8.020 -0.092 108 3HB ALA 15 HB2 ALA 15 -8.327 -9.408 0.594 109 H ARG 16 HN ARG 16 -12.455 -8.008 1.034 110 HA ARG 16 HA ARG 16 -11.914 -5.193 0.959 111 1HB ARG 16 HB2 ARG 16 -14.490 -6.750 1.313 112 2HB ARG 16 HB1 ARG 16 -14.430 -4.999 1.103 113 1HG ARG 16 HG2 ARG 16 -12.841 -5.849 -0.962 114 2HG ARG 16 HG1 ARG 16 -14.037 -7.143 -0.883 115 1HD ARG 16 HD2 ARG 16 -14.916 -4.266 -0.796 116 2HD ARG 16 HD1 ARG 16 -14.562 -5.040 -2.342 117 HE ARG 16 HE ARG 16 -16.273 -6.823 -1.094 118 1HH1 ARG 16 HH21 ARG 16 -16.286 -3.448 -1.837 119 2HH1 ARG 16 HH22 ARG 16 -18.006 -3.360 -2.006 120 1HH2 ARG 16 HH11 ARG 16 -18.520 -6.718 -1.312 121 2HH2 ARG 16 HH12 ARG 16 -19.270 -5.209 -1.708 122 H TYR 17 HN TYR 17 -13.668 -7.141 3.411 123 HA TYR 17 HA TYR 17 -13.936 -5.078 5.329 124 1HB TYR 17 HB2 TYR 17 -14.100 -8.017 5.322 125 2HB TYR 17 HB1 TYR 17 -13.620 -7.333 6.875 126 HD1 TYR 17 HD2 TYR 17 -15.703 -5.536 4.403 127 HD2 TYR 17 HD1 TYR 17 -15.682 -7.808 8.048 128 HE1 TYR 17 HE2 TYR 17 -18.053 -4.869 4.834 129 HE2 TYR 17 HE1 TYR 17 -18.031 -7.144 8.478 130 HH TYR 17 HH TYR 17 -19.500 -4.701 7.279 131 H VAL 18 HN VAL 18 -11.256 -7.340 4.744 132 HA VAL 18 HA VAL 18 -9.681 -6.691 7.013 133 HB VAL 18 HB VAL 18 -8.809 -7.386 4.190 134 1HG1 VAL 18 HG12 VAL 18 -7.165 -6.252 5.966 135 2HG1 VAL 18 HG11 VAL 18 -7.111 -7.900 6.594 136 3HG1 VAL 18 HG13 VAL 18 -6.630 -7.574 4.929 137 1HG2 VAL 18 HG23 VAL 18 -9.383 -8.988 6.690 138 2HG2 VAL 18 HG22 VAL 18 -10.081 -9.192 5.083 139 3HG2 VAL 18 HG21 VAL 18 -8.398 -9.631 5.376 140 H VAL 19 HN VAL 19 -9.727 -5.195 3.775 141 HA VAL 19 HA VAL 19 -7.851 -3.110 4.426 142 HB VAL 19 HB VAL 19 -10.044 -3.139 2.332 143 1HG1 VAL 19 HG12 VAL 19 -7.522 -1.482 2.641 144 2HG1 VAL 19 HG11 VAL 19 -8.526 -1.502 1.191 145 3HG1 VAL 19 HG13 VAL 19 -9.183 -0.895 2.711 146 1HG2 VAL 19 HG21 VAL 19 -7.582 -4.636 2.586 147 2HG2 VAL 19 HG23 VAL 19 -8.804 -4.727 1.318 148 3HG2 VAL 19 HG22 VAL 19 -7.490 -3.557 1.194 149 H GLU 20 HN GLU 20 -11.183 -3.607 5.127 150 HA GLU 20 HA GLU 20 -11.873 -0.805 5.462 151 1HB GLU 20 HB2 GLU 20 -13.564 -2.587 5.000 152 2HB GLU 20 HB1 GLU 20 -13.254 -3.252 6.605 153 1HG GLU 20 HG2 GLU 20 -13.814 -0.935 7.524 154 2HG GLU 20 HG1 GLU 20 -14.415 -0.546 5.912 155 H ALA 21 HN ALA 21 -10.743 -3.395 7.597 156 HA ALA 21 HA ALA 21 -11.071 -1.823 10.017 157 1HB ALA 21 HB3 ALA 21 -9.368 -4.272 9.457 158 2HB ALA 21 HB2 ALA 21 -9.659 -3.589 11.057 159 3HB ALA 21 HB1 ALA 21 -10.998 -4.269 10.132 160 H ILE 22 HN ILE 22 -8.437 -2.399 7.723 161 HA ILE 22 HA ILE 22 -6.436 -1.019 9.302 162 HB ILE 22 HB ILE 22 -6.541 -1.576 6.319 163 1HG1 ILE 22 HG12 ILE 22 -5.340 -3.075 8.668 164 2HG1 ILE 22 HG11 ILE 22 -6.587 -3.650 7.560 165 1HG2 ILE 22 HG23 ILE 22 -4.970 0.270 7.198 166 2HG2 ILE 22 HG22 ILE 22 -4.095 -1.030 8.006 167 3HG2 ILE 22 HG21 ILE 22 -4.234 -1.021 6.248 168 1HD1 ILE 22 HD11 ILE 22 -4.637 -3.018 5.785 169 2HD1 ILE 22 HD13 ILE 22 -3.651 -3.472 7.175 170 3HD1 ILE 22 HD12 ILE 22 -4.807 -4.621 6.501 171 H ILE 23 HN ILE 23 -8.415 -0.067 6.479 172 HA ILE 23 HA ILE 23 -7.477 2.604 6.287 173 HB ILE 23 HB ILE 23 -9.740 3.055 5.243 174 1HG1 ILE 23 HG12 ILE 23 -10.832 0.602 4.844 175 2HG1 ILE 23 HG11 ILE 23 -10.207 0.397 6.481 176 1HG2 ILE 23 HG21 ILE 23 -8.073 0.678 4.391 177 2HG2 ILE 23 HG23 ILE 23 -9.381 1.321 3.397 178 3HG2 ILE 23 HG22 ILE 23 -7.990 2.333 3.785 179 1HD1 ILE 23 HD11 ILE 23 -11.397 2.955 6.426 180 2HD1 ILE 23 HD13 ILE 23 -12.527 1.879 5.603 181 3HD1 ILE 23 HD12 ILE 23 -12.002 1.516 7.247 182 H GLN 24 HN GLN 24 -10.014 1.160 8.296 183 HA GLN 24 HA GLN 24 -11.021 3.607 9.384 184 1HB GLN 24 HB2 GLN 24 -11.462 0.820 9.765 185 2HB GLN 24 HB1 GLN 24 -11.089 1.499 11.349 186 1HG GLN 24 HG2 GLN 24 -12.958 2.844 11.368 187 2HG GLN 24 HG1 GLN 24 -12.972 3.029 9.614 188 1HE2 GLN 24 HE22 GLN 24 -15.544 0.470 11.088 189 2HE2 GLN 24 HE21 GLN 24 -14.955 1.870 11.844 190 H ASP 25 HN ASP 25 -8.408 1.414 10.459 191 HA ASP 25 HA ASP 25 -7.702 2.546 12.897 192 1HB ASP 25 HB2 ASP 25 -6.479 0.784 11.190 193 2HB ASP 25 HB1 ASP 25 -5.399 2.174 11.075 194 H ASN 26 HN ASN 26 -7.174 3.803 9.656 195 HA ASN 26 HA ASN 26 -6.241 6.371 10.868 196 1HB ASN 26 HB2 ASN 26 -5.389 6.707 8.404 197 2HB ASN 26 HB1 ASN 26 -4.444 5.721 9.520 198 1HD2 ASN 26 HD22 ASN 26 -4.962 2.723 7.719 199 2HD2 ASN 26 HD21 ASN 26 -4.277 3.457 9.088 200 HA PRO 27 HA PRO 27 -10.385 7.055 9.106 201 1HB PRO 27 HB2 PRO 27 -10.689 9.285 10.889 202 2HB PRO 27 HB1 PRO 27 -11.528 7.729 10.943 203 1HG PRO 27 HG2 PRO 27 -9.469 8.684 12.719 204 2HG PRO 27 HG1 PRO 27 -10.319 7.134 12.775 205 1HD PRO 27 HD2 PRO 27 -7.595 7.622 11.983 206 2HD PRO 27 HD1 PRO 27 -8.455 6.071 12.030 207 H HIS 28 HN HIS 28 -9.061 7.806 7.247 208 HA HIS 28 HA HIS 28 -9.459 10.537 6.580 209 1HB HIS 28 HB2 HIS 28 -7.566 10.495 8.339 210 2HB HIS 28 HB1 HIS 28 -6.585 9.825 7.047 211 HD1 HIS 28 HD1 HIS 28 -5.202 11.697 6.124 212 HD2 HIS 28 HD2 HIS 28 -9.115 12.913 6.888 213 HE1 HIS 28 HE1 HIS 28 -5.379 14.089 5.311 214 H ALA 29 HN ALA 29 -7.322 7.733 6.154 215 HA ALA 29 HA ALA 29 -6.354 8.015 3.603 216 1HB ALA 29 HB3 ALA 29 -7.501 5.600 4.998 217 2HB ALA 29 HB2 ALA 29 -6.830 5.474 3.371 218 3HB ALA 29 HB1 ALA 29 -5.808 6.004 4.708 219 H VAL 30 HN VAL 30 -7.146 7.918 1.508 220 HA VAL 30 HA VAL 30 -10.104 8.034 1.240 221 HB VAL 30 HB VAL 30 -8.912 9.883 0.218 222 1HG1 VAL 30 HG12 VAL 30 -7.310 7.677 -1.097 223 2HG1 VAL 30 HG11 VAL 30 -7.291 9.342 -1.675 224 3HG1 VAL 30 HG13 VAL 30 -6.715 8.967 -0.052 225 1HG2 VAL 30 HG21 VAL 30 -10.862 8.887 -1.016 226 2HG2 VAL 30 HG23 VAL 30 -9.703 9.688 -2.077 227 3HG2 VAL 30 HG22 VAL 30 -9.721 7.929 -1.959 228 H VAL 31 HN VAL 31 -11.023 6.915 -0.741 229 HA VAL 31 HA VAL 31 -9.492 4.628 -1.767 230 HB VAL 31 HB VAL 31 -10.236 3.526 0.185 231 1HG1 VAL 31 HG13 VAL 31 -12.489 5.404 -0.078 232 2HG1 VAL 31 HG12 VAL 31 -12.956 3.796 0.474 233 3HG1 VAL 31 HG11 VAL 31 -11.757 4.723 1.375 234 1HG2 VAL 31 HG23 VAL 31 -10.804 2.272 -1.868 235 2HG2 VAL 31 HG22 VAL 31 -11.980 1.960 -0.592 236 3HG2 VAL 31 HG21 VAL 31 -12.382 3.059 -1.911 237 H GLN 32 HN GLN 32 -10.786 3.446 -3.438 238 HA GLN 32 HA GLN 32 -13.305 4.453 -4.373 239 1HB GLN 32 HB2 GLN 32 -11.916 6.440 -4.910 240 2HB GLN 32 HB1 GLN 32 -10.875 5.423 -5.907 241 1HG GLN 32 HG2 GLN 32 -13.757 5.184 -6.499 242 2HG GLN 32 HG1 GLN 32 -13.063 6.767 -6.853 243 1HE2 GLN 32 HE22 GLN 32 -10.666 5.328 -9.227 244 2HE2 GLN 32 HE21 GLN 32 -10.678 6.434 -7.939 245 H HIS 33 HN HIS 33 -14.118 3.093 -5.974 246 HA HIS 33 HA HIS 33 -12.245 1.264 -7.366 247 1HB HIS 33 HB2 HIS 33 -14.163 -0.511 -6.764 248 2HB HIS 33 HB1 HIS 33 -12.763 -0.267 -5.725 249 HD1 HIS 33 HD1 HIS 33 -13.125 1.094 -3.528 250 HD2 HIS 33 HD2 HIS 33 -16.617 0.461 -5.715 251 HE1 HIS 33 HE1 HIS 33 -15.048 1.719 -2.003 252 H HIS 34 HN HIS 34 -13.342 0.163 -9.214 253 HA HIS 34 HA HIS 34 -16.008 1.118 -9.952 254 1HB HIS 34 HB2 HIS 34 -13.581 2.416 -10.936 255 2HB HIS 34 HB1 HIS 34 -14.607 1.817 -12.237 256 HD1 HIS 34 HD1 HIS 34 -14.142 4.814 -10.567 257 HD2 HIS 34 HD2 HIS 34 -17.565 2.535 -11.252 258 HE1 HIS 34 HE1 HIS 34 -16.112 6.379 -10.287 259 HA PRO 35 HA PRO 35 -14.534 -1.905 -13.279 260 1HB PRO 35 HB2 PRO 35 -11.874 -2.851 -12.819 261 2HB PRO 35 HB1 PRO 35 -12.456 -1.894 -14.188 262 1HG PRO 35 HG2 PRO 35 -10.771 -1.031 -12.002 263 2HG PRO 35 HG1 PRO 35 -11.300 -0.098 -13.409 264 1HD PRO 35 HD2 PRO 35 -12.197 0.167 -10.695 265 2HD PRO 35 HD1 PRO 35 -12.753 1.065 -12.118 266 H ALA 36 HN ALA 36 -12.530 -2.579 -10.382 267 HA ALA 36 HA ALA 36 -14.356 -4.454 -9.238 268 1HB ALA 36 HB2 ALA 36 -13.025 -5.511 -11.456 269 2HB ALA 36 HB1 ALA 36 -12.112 -6.121 -10.075 270 3HB ALA 36 HB3 ALA 36 -13.844 -6.436 -10.197 271 H MET 37 HN MET 37 -10.822 -4.141 -9.739 272 HA MET 37 HA MET 37 -10.196 -4.745 -6.983 273 1HB MET 37 HB2 MET 37 -7.939 -4.085 -7.548 274 2HB MET 37 HB1 MET 37 -8.598 -4.946 -8.940 275 1HG MET 37 HG2 MET 37 -9.367 -2.326 -9.409 276 2HG MET 37 HG1 MET 37 -7.757 -2.149 -8.712 277 1HE MET 37 HE2 MET 37 -5.809 -2.711 -9.445 278 2HE MET 37 HE1 MET 37 -5.814 -4.442 -9.774 279 3HE MET 37 HE3 MET 37 -5.308 -3.301 -11.029 280 H ILE 38 HN ILE 38 -9.324 -3.134 -5.409 281 HA ILE 38 HA ILE 38 -10.653 -0.487 -5.823 282 HB ILE 38 HB ILE 38 -10.489 -0.360 -3.280 283 1HG1 ILE 38 HG12 ILE 38 -8.784 -2.358 -3.348 284 2HG1 ILE 38 HG11 ILE 38 -9.947 -2.251 -2.030 285 1HG2 ILE 38 HG22 ILE 38 -12.225 -2.126 -4.929 286 2HG2 ILE 38 HG21 ILE 38 -12.338 -2.328 -3.181 287 3HG2 ILE 38 HG23 ILE 38 -12.664 -0.755 -3.910 288 1HD1 ILE 38 HD13 ILE 38 -11.009 -3.686 -4.358 289 2HD1 ILE 38 HD12 ILE 38 -9.579 -4.456 -3.674 290 3HD1 ILE 38 HD11 ILE 38 -10.991 -4.161 -2.660 291 H ARG 39 HN ARG 39 -9.289 1.174 -6.202 292 HA ARG 39 HA ARG 39 -6.414 0.857 -5.756 293 1HB ARG 39 HB2 ARG 39 -7.793 3.398 -6.621 294 2HB ARG 39 HB1 ARG 39 -6.155 2.859 -6.993 295 1HG ARG 39 HG2 ARG 39 -7.645 0.785 -7.986 296 2HG ARG 39 HG1 ARG 39 -8.702 2.161 -8.302 297 1HD ARG 39 HD2 ARG 39 -5.988 2.864 -8.941 298 2HD ARG 39 HD1 ARG 39 -6.413 1.372 -9.775 299 HE ARG 39 HE ARG 39 -7.268 3.957 -10.540 300 1HH1 ARG 39 HH21 ARG 39 -8.650 0.843 -9.888 301 2HH1 ARG 39 HH22 ARG 39 -10.122 1.195 -10.724 302 1HH2 ARG 39 HH11 ARG 39 -9.169 4.392 -11.646 303 2HH2 ARG 39 HH12 ARG 39 -10.411 3.187 -11.726 304 H ILE 40 HN ILE 40 -5.304 3.000 -4.819 305 HA ILE 40 HA ILE 40 -6.779 4.116 -2.541 306 HB ILE 40 HB ILE 40 -4.145 2.842 -1.931 307 1HG1 ILE 40 HG12 ILE 40 -6.790 1.374 -1.752 308 2HG1 ILE 40 HG11 ILE 40 -5.618 1.117 -3.044 309 1HG2 ILE 40 HG23 ILE 40 -6.475 3.964 -0.494 310 2HG2 ILE 40 HG22 ILE 40 -5.811 2.491 0.212 311 3HG2 ILE 40 HG21 ILE 40 -4.780 3.904 -0.011 312 1HD1 ILE 40 HD11 ILE 40 -4.225 1.015 -0.550 313 2HD1 ILE 40 HD13 ILE 40 -5.632 -0.043 -0.440 314 3HD1 ILE 40 HD12 ILE 40 -4.451 -0.278 -1.728 315 H GLU 41 HN GLU 41 -4.841 5.452 -1.192 316 HA GLU 41 HA GLU 41 -2.730 6.500 -2.857 317 1HB GLU 41 HB2 GLU 41 -5.338 7.586 -3.283 318 2HB GLU 41 HB1 GLU 41 -4.350 8.817 -2.500 319 1HG GLU 41 HG2 GLU 41 -2.701 7.580 -4.447 320 2HG GLU 41 HG1 GLU 41 -4.249 7.901 -5.228 321 H ALA 42 HN ALA 42 -1.540 8.221 -1.830 322 HA ALA 42 HA ALA 42 -2.193 8.619 1.055 323 1HB ALA 42 HB3 ALA 42 0.077 7.251 -0.092 324 2HB ALA 42 HB2 ALA 42 0.625 8.700 0.752 325 3HB ALA 42 HB1 ALA 42 -0.322 7.485 1.610 326 H GLU 43 HN GLU 43 -0.358 10.428 1.794 327 HA GLU 43 HA GLU 43 -0.079 12.501 -0.295 328 1HB GLU 43 HB2 GLU 43 -1.165 14.166 1.356 329 2HB GLU 43 HB1 GLU 43 -2.236 13.117 0.425 330 1HG GLU 43 HG2 GLU 43 -2.395 11.559 2.311 331 2HG GLU 43 HG1 GLU 43 -1.274 12.552 3.245 332 H LYS 44 HN LYS 44 2.226 11.675 0.428 333 HA LYS 44 HA LYS 44 3.525 13.674 1.927 334 1HB LYS 44 HB2 LYS 44 2.018 12.130 3.646 335 2HB LYS 44 HB1 LYS 44 3.593 11.354 3.740 336 1HG LYS 44 HG2 LYS 44 4.083 12.985 5.244 337 2HG LYS 44 HG1 LYS 44 4.273 14.017 3.825 338 1HD LYS 44 HD2 LYS 44 2.080 14.894 4.028 339 2HD LYS 44 HD1 LYS 44 1.581 13.609 5.128 340 1HE LYS 44 HE2 LYS 44 2.185 15.988 6.085 341 2HE LYS 44 HE1 LYS 44 2.709 14.539 6.943 342 1HZ LYS 44 HZ2 LYS 44 4.378 15.905 4.911 343 2HZ LYS 44 HZ1 LYS 44 4.461 16.268 6.568 344 3HZ LYS 44 HZ3 LYS 44 4.859 14.713 6.021 345 H ARG 45 HN ARG 45 5.309 11.623 3.315 346 HA ARG 45 HA ARG 45 6.514 10.475 0.844 347 1HB ARG 45 HB2 ARG 45 7.964 11.710 3.205 348 2HB ARG 45 HB1 ARG 45 8.741 10.951 1.815 349 1HG ARG 45 HG2 ARG 45 8.758 13.072 0.980 350 2HG ARG 45 HG1 ARG 45 7.083 12.711 0.561 351 1HD ARG 45 HD2 ARG 45 6.244 13.835 2.471 352 2HD ARG 45 HD1 ARG 45 7.824 13.853 3.255 353 HE ARG 45 HE ARG 45 8.212 15.317 0.930 354 1HH1 ARG 45 HH21 ARG 45 6.031 15.382 3.606 355 2HH1 ARG 45 HH22 ARG 45 5.785 17.094 3.528 356 1HH2 ARG 45 HH11 ARG 45 7.896 17.552 0.818 357 2HH2 ARG 45 HH12 ARG 45 6.837 18.321 1.953 358 H LEU 46 HN LEU 46 7.740 8.485 1.198 359 HA LEU 46 HA LEU 46 7.368 7.233 3.827 360 1HB LEU 46 HB2 LEU 46 6.680 5.388 1.667 361 2HB LEU 46 HB1 LEU 46 5.857 5.673 3.199 362 HG LEU 46 HG LEU 46 5.675 7.672 0.932 363 1HD1 LEU 46 HD13 LEU 46 4.204 5.092 1.303 364 2HD1 LEU 46 HD12 LEU 46 3.343 6.489 0.656 365 3HD1 LEU 46 HD11 LEU 46 4.761 5.862 -0.183 366 1HD2 LEU 46 HD23 LEU 46 4.706 7.477 3.612 367 2HD2 LEU 46 HD22 LEU 46 4.469 8.781 2.448 368 3HD2 LEU 46 HD21 LEU 46 3.332 7.435 2.507 369 H GLU 47 HN GLU 47 9.037 5.923 4.379 370 HA GLU 47 HA GLU 47 10.851 4.764 2.331 371 1HB GLU 47 HB2 GLU 47 12.776 5.719 3.833 372 2HB GLU 47 HB1 GLU 47 12.077 6.731 2.569 373 1HG GLU 47 HG2 GLU 47 10.818 6.788 5.284 374 2HG GLU 47 HG1 GLU 47 12.342 7.645 5.053 375 H ILE 48 HN ILE 48 11.596 2.783 3.096 376 HA ILE 48 HA ILE 48 11.498 2.305 6.039 377 HB ILE 48 HB ILE 48 10.495 0.281 4.031 378 1HG1 ILE 48 HG12 ILE 48 8.447 1.377 5.764 379 2HG1 ILE 48 HG11 ILE 48 9.176 2.656 4.797 380 1HG2 ILE 48 HG21 ILE 48 11.369 -0.452 6.289 381 2HG2 ILE 48 HG23 ILE 48 10.061 0.479 7.018 382 3HG2 ILE 48 HG22 ILE 48 9.690 -0.890 5.970 383 1HD1 ILE 48 HD11 ILE 48 8.908 0.682 2.929 384 2HD1 ILE 48 HD13 ILE 48 7.501 0.380 3.948 385 3HD1 ILE 48 HD12 ILE 48 7.720 1.959 3.193 386 H ARG 49 HN ARG 49 12.972 0.637 6.728 387 HA ARG 49 HA ARG 49 15.468 0.576 5.456 388 1HB ARG 49 HB2 ARG 49 14.578 -0.399 7.802 389 2HB ARG 49 HB1 ARG 49 14.648 -1.907 6.889 390 1HG ARG 49 HG2 ARG 49 16.901 -1.947 6.970 391 2HG ARG 49 HG1 ARG 49 17.011 -0.274 6.419 392 1HD ARG 49 HD2 ARG 49 16.092 0.080 8.966 393 2HD ARG 49 HD1 ARG 49 17.088 -1.362 9.167 394 HE ARG 49 HE ARG 49 18.700 0.355 7.709 395 1HH1 ARG 49 HH21 ARG 49 16.888 0.523 10.646 396 2HH1 ARG 49 HH22 ARG 49 17.971 1.643 11.400 397 1HH2 ARG 49 HH11 ARG 49 20.118 1.813 8.684 398 2HH2 ARG 49 HH12 ARG 49 19.799 2.373 10.292 399 H ARG 50 HN ARG 50 16.456 -0.918 3.998 400 HA ARG 50 HA ARG 50 14.526 -2.274 2.224 401 1HB ARG 50 HB2 ARG 50 16.211 -0.996 1.089 402 2HB ARG 50 HB1 ARG 50 17.501 -1.750 2.028 403 1HG ARG 50 HG2 ARG 50 15.783 -3.672 0.606 404 2HG ARG 50 HG1 ARG 50 16.683 -2.594 -0.460 405 1HD ARG 50 HD2 ARG 50 18.539 -3.317 1.484 406 2HD ARG 50 HD1 ARG 50 17.650 -4.808 1.184 407 HE ARG 50 HE ARG 50 19.628 -3.739 -0.525 408 1HH1 ARG 50 HH21 ARG 50 16.366 -4.890 -0.720 409 2HH1 ARG 50 HH22 ARG 50 16.418 -5.094 -2.436 410 1HH2 ARG 50 HH11 ARG 50 19.699 -4.035 -2.747 411 2HH2 ARG 50 HH12 ARG 50 18.298 -4.623 -3.579 412 H GLU 51 HN GLU 51 17.642 -3.223 3.723 413 HA GLU 51 HA GLU 51 17.397 -5.992 3.287 414 1HB GLU 51 HB2 GLU 51 19.464 -4.962 4.106 415 2HB GLU 51 HB1 GLU 51 18.675 -4.558 5.629 416 1HG GLU 51 HG2 GLU 51 18.163 -7.127 5.738 417 2HG GLU 51 HG1 GLU 51 19.492 -7.254 4.585 418 H THR 52 HN THR 52 16.245 -4.070 6.069 419 HA THR 52 HA THR 52 15.163 -6.342 7.467 420 HB THR 52 HB THR 52 13.814 -3.766 7.897 421 HG1 THR 52 HG1 THR 52 15.605 -2.673 8.527 422 1HG2 THR 52 HG23 THR 52 14.342 -6.047 9.342 423 2HG2 THR 52 HG22 THR 52 15.531 -4.916 9.986 424 3HG2 THR 52 HG21 THR 52 13.815 -4.515 10.037 425 H VAL 53 HN VAL 53 13.610 -3.822 5.437 426 HA VAL 53 HA VAL 53 10.989 -4.889 5.534 427 HB VAL 53 HB VAL 53 12.480 -3.330 3.413 428 1HG1 VAL 53 HG11 VAL 53 9.849 -4.709 3.237 429 2HG1 VAL 53 HG13 VAL 53 9.900 -3.044 2.657 430 3HG1 VAL 53 HG12 VAL 53 10.970 -4.256 1.953 431 1HG2 VAL 53 HG22 VAL 53 11.512 -2.477 5.743 432 2HG2 VAL 53 HG21 VAL 53 11.386 -1.487 4.289 433 3HG2 VAL 53 HG23 VAL 53 10.002 -2.435 4.832 434 H GLU 54 HN GLU 54 13.853 -6.047 4.004 435 HA GLU 54 HA GLU 54 12.525 -7.758 2.060 436 1HB GLU 54 HB2 GLU 54 14.734 -7.317 1.440 437 2HB GLU 54 HB1 GLU 54 15.328 -7.431 3.093 438 1HG GLU 54 HG2 GLU 54 15.660 -9.671 2.948 439 2HG GLU 54 HG1 GLU 54 14.152 -9.929 2.070 440 H GLU 55 HN GLU 55 13.847 -8.133 5.338 441 HA GLU 55 HA GLU 55 13.347 -10.973 5.505 442 1HB GLU 55 HB2 GLU 55 14.891 -9.887 7.060 443 2HB GLU 55 HB1 GLU 55 13.586 -8.878 7.687 444 1HG GLU 55 HG2 GLU 55 12.628 -11.518 7.860 445 2HG GLU 55 HG1 GLU 55 14.299 -11.590 8.420 446 H ASN 56 HN ASN 56 11.565 -8.194 6.920 447 HA ASN 56 HA ASN 56 9.350 -9.662 7.876 448 1HB ASN 56 HB2 ASN 56 10.040 -7.020 7.859 449 2HB ASN 56 HB1 ASN 56 8.715 -7.026 6.695 450 1HD2 ASN 56 HD22 ASN 56 6.458 -8.482 9.277 451 2HD2 ASN 56 HD21 ASN 56 6.979 -8.939 7.728 452 H LEU 57 HN LEU 57 10.158 -8.614 4.628 453 HA LEU 57 HA LEU 57 7.580 -8.962 3.441 454 1HB LEU 57 HB2 LEU 57 9.405 -7.795 2.281 455 2HB LEU 57 HB1 LEU 57 10.329 -9.297 2.206 456 HG LEU 57 HG LEU 57 8.121 -10.216 1.068 457 1HD1 LEU 57 HD12 LEU 57 7.530 -7.458 1.384 458 2HD1 LEU 57 HD11 LEU 57 7.800 -7.727 -0.339 459 3HD1 LEU 57 HD13 LEU 57 6.583 -8.671 0.520 460 1HD2 LEU 57 HD22 LEU 57 10.511 -9.839 0.129 461 2HD2 LEU 57 HD21 LEU 57 9.180 -9.934 -1.024 462 3HD2 LEU 57 HD23 LEU 57 9.848 -8.364 -0.574 463 H GLY 58 HN GLY 58 10.396 -11.182 3.443 464 1HA GLY 58 HA2 GLY 58 8.680 -13.389 2.536 465 2HA GLY 58 HA1 GLY 58 10.413 -13.485 2.851 466 H ARG 59 HN ARG 59 8.858 -11.952 5.413 467 HA ARG 59 HA ARG 59 9.061 -14.447 7.021 468 1HB ARG 59 HB2 ARG 59 10.309 -12.629 7.961 469 2HB ARG 59 HB1 ARG 59 8.953 -11.517 7.773 470 1HG ARG 59 HG2 ARG 59 7.668 -12.680 9.447 471 2HG ARG 59 HG1 ARG 59 8.846 -13.990 9.518 472 1HD ARG 59 HD2 ARG 59 10.344 -12.761 10.764 473 2HD ARG 59 HD1 ARG 59 9.852 -11.231 10.039 474 HE ARG 59 HE ARG 59 7.639 -12.020 11.517 475 1HH1 ARG 59 HH21 ARG 59 11.008 -11.539 12.106 476 2HH1 ARG 59 HH22 ARG 59 10.783 -11.081 13.761 477 1HH2 ARG 59 HH11 ARG 59 7.334 -11.423 13.668 478 2HH2 ARG 59 HH12 ARG 59 8.705 -11.015 14.645 479 H ALA 60 HN ALA 60 6.992 -11.667 7.733 480 HA ALA 60 HA ALA 60 4.716 -13.549 8.027 481 1HB ALA 60 HB3 ALA 60 5.589 -11.189 9.404 482 2HB ALA 60 HB2 ALA 60 3.979 -10.895 8.745 483 3HB ALA 60 HB1 ALA 60 4.256 -12.268 9.817 484 H TRP 61 HN TRP 61 5.871 -11.005 5.973 485 HA TRP 61 HA TRP 61 3.212 -10.583 4.755 486 1HB TRP 61 HB2 TRP 61 4.927 -8.724 5.104 487 2HB TRP 61 HB1 TRP 61 5.863 -9.478 3.818 488 HD1 TRP 61 HD1 TRP 61 2.261 -9.919 3.196 489 HE1 TRP 61 HE1 TRP 61 1.435 -8.255 1.408 490 HE3 TRP 61 HE3 TRP 61 6.280 -6.770 2.992 491 HZ2 TRP 61 HZ2 TRP 61 2.355 -5.902 0.070 492 HZ3 TRP 61 HZ3 TRP 61 6.276 -4.827 1.453 493 HH2 TRP 61 HH2 TRP 61 4.320 -4.390 -0.007 494 H ASP 62 HN ASP 62 4.703 -13.205 4.643 495 HA ASP 62 HA ASP 62 5.425 -13.450 1.800 496 1HB ASP 62 HB2 ASP 62 6.708 -14.721 3.461 497 2HB ASP 62 HB1 ASP 62 5.235 -15.527 4.001 498 H VAL 63 HN VAL 63 2.789 -12.602 2.109 499 HA VAL 63 HA VAL 63 1.105 -15.019 1.697 500 HB VAL 63 HB VAL 63 0.175 -12.152 1.729 501 1HG1 VAL 63 HG12 VAL 63 -1.033 -14.828 1.702 502 2HG1 VAL 63 HG11 VAL 63 -1.688 -13.784 2.963 503 3HG1 VAL 63 HG13 VAL 63 -1.746 -13.272 1.276 504 1HG2 VAL 63 HG23 VAL 63 0.703 -14.005 4.070 505 2HG2 VAL 63 HG22 VAL 63 1.441 -12.431 3.778 506 3HG2 VAL 63 HG21 VAL 63 -0.272 -12.541 4.182 507 H GLN 64 HN GLN 64 3.081 -13.349 -0.189 508 HA GLN 64 HA GLN 64 1.841 -12.202 -2.344 509 1HB GLN 64 HB2 GLN 64 3.946 -14.364 -2.626 510 2HB GLN 64 HB1 GLN 64 3.619 -13.054 -3.762 511 1HG GLN 64 HG2 GLN 64 4.769 -12.850 -0.973 512 2HG GLN 64 HG1 GLN 64 5.504 -12.334 -2.490 513 1HE2 GLN 64 HE22 GLN 64 2.803 -9.903 -0.623 514 2HE2 GLN 64 HE21 GLN 64 3.065 -11.483 -0.062 515 H GLU 65 HN GLU 65 1.630 -15.582 -1.424 516 HA GLU 65 HA GLU 65 0.629 -16.670 -3.848 517 1HB GLU 65 HB2 GLU 65 1.255 -17.919 -1.703 518 2HB GLU 65 HB1 GLU 65 -0.338 -17.468 -1.095 519 1HG GLU 65 HG2 GLU 65 -1.459 -18.783 -2.656 520 2HG GLU 65 HG1 GLU 65 -0.115 -18.753 -3.798 521 H MET 66 HN MET 66 -1.235 -15.427 -1.045 522 HA MET 66 HA MET 66 -3.748 -15.508 -2.493 523 1HB MET 66 HB2 MET 66 -2.842 -14.875 0.180 524 2HB MET 66 HB1 MET 66 -3.958 -13.636 -0.393 525 1HG MET 66 HG2 MET 66 -5.030 -16.136 -1.204 526 2HG MET 66 HG1 MET 66 -4.552 -16.311 0.485 527 1HE MET 66 HE3 MET 66 -4.909 -14.916 2.182 528 2HE MET 66 HE2 MET 66 -5.275 -13.221 1.873 529 3HE MET 66 HE1 MET 66 -6.508 -14.268 2.573 530 H LEU 67 HN LEU 67 -1.089 -13.437 -2.631 531 HA LEU 67 HA LEU 67 -2.180 -10.864 -2.912 532 1HB LEU 67 HB2 LEU 67 0.260 -11.447 -2.957 533 2HB LEU 67 HB1 LEU 67 0.045 -12.014 -4.613 534 HG LEU 67 HG LEU 67 -1.026 -9.657 -5.003 535 1HD1 LEU 67 HD13 LEU 67 -0.725 -9.342 -2.371 536 2HD1 LEU 67 HD12 LEU 67 0.877 -8.795 -2.865 537 3HD1 LEU 67 HD11 LEU 67 -0.561 -7.980 -3.479 538 1HD2 LEU 67 HD21 LEU 67 1.387 -10.726 -5.579 539 2HD2 LEU 67 HD23 LEU 67 0.962 -9.065 -5.988 540 3HD2 LEU 67 HD22 LEU 67 1.902 -9.401 -4.534 541 H VAL 68 HN VAL 68 -2.692 -13.608 -4.928 542 HA VAL 68 HA VAL 68 -3.029 -12.700 -7.495 543 HB VAL 68 HB VAL 68 -5.194 -14.244 -6.051 544 1HG1 VAL 68 HG12 VAL 68 -5.018 -13.372 -8.672 545 2HG1 VAL 68 HG11 VAL 68 -4.373 -15.011 -8.762 546 3HG1 VAL 68 HG13 VAL 68 -5.991 -14.735 -8.116 547 1HG2 VAL 68 HG22 VAL 68 -2.385 -14.895 -6.603 548 2HG2 VAL 68 HG21 VAL 68 -3.537 -15.710 -5.545 549 3HG2 VAL 68 HG23 VAL 68 -3.513 -16.075 -7.270 550 H ASP 69 HN ASP 69 -5.262 -12.050 -4.794 551 HA ASP 69 HA ASP 69 -6.997 -10.391 -6.484 552 1HB ASP 69 HB2 ASP 69 -6.995 -10.503 -3.462 553 2HB ASP 69 HB1 ASP 69 -8.325 -10.100 -4.540 554 H VAL 70 HN VAL 70 -5.498 -9.515 -3.395 555 HA VAL 70 HA VAL 70 -5.482 -6.788 -3.575 556 HB VAL 70 HB VAL 70 -2.992 -8.041 -2.476 557 1HG1 VAL 70 HG13 VAL 70 -4.864 -5.789 -1.817 558 2HG1 VAL 70 HG12 VAL 70 -3.977 -6.550 -0.502 559 3HG1 VAL 70 HG11 VAL 70 -3.100 -5.801 -1.829 560 1HG2 VAL 70 HG21 VAL 70 -5.822 -8.593 -1.631 561 2HG2 VAL 70 HG23 VAL 70 -4.462 -9.710 -1.746 562 3HG2 VAL 70 HG22 VAL 70 -4.537 -8.545 -0.423 563 H ILE 71 HN ILE 71 -3.011 -5.636 -3.578 564 HA ILE 71 HA ILE 71 -1.017 -6.080 -5.348 565 HB ILE 71 HB ILE 71 -3.568 -5.523 -6.811 566 1HG1 ILE 71 HG12 ILE 71 -1.858 -7.593 -6.759 567 2HG1 ILE 71 HG11 ILE 71 -2.821 -7.208 -8.182 568 1HG2 ILE 71 HG23 ILE 71 -2.290 -3.434 -7.283 569 2HG2 ILE 71 HG22 ILE 71 -0.961 -4.410 -7.875 570 3HG2 ILE 71 HG21 ILE 71 -2.513 -4.432 -8.704 571 1HD1 ILE 71 HD13 ILE 71 -0.140 -5.901 -7.873 572 2HD1 ILE 71 HD12 ILE 71 -0.198 -7.594 -8.362 573 3HD1 ILE 71 HD11 ILE 71 -0.995 -6.365 -9.344 574 H THR 72 HN THR 72 -0.666 -3.392 -6.428 575 HA THR 72 HA THR 72 -1.628 -1.360 -4.688 576 HB THR 72 HB THR 72 0.995 -1.193 -3.870 577 HG1 THR 72 HG1 THR 72 1.306 -3.333 -4.660 578 1HG2 THR 72 HG22 THR 72 -1.530 -1.386 -2.727 579 2HG2 THR 72 HG21 THR 72 -0.638 -2.725 -2.005 580 3HG2 THR 72 HG23 THR 72 -0.026 -1.078 -1.860 581 H ILE 73 HN ILE 73 0.728 0.296 -4.776 582 HA ILE 73 HA ILE 73 2.025 0.335 -7.335 583 HB ILE 73 HB ILE 73 -0.126 2.459 -7.000 584 1HG1 ILE 73 HG12 ILE 73 -1.086 0.292 -7.754 585 2HG1 ILE 73 HG11 ILE 73 -1.107 1.481 -9.042 586 1HG2 ILE 73 HG21 ILE 73 2.336 2.371 -8.464 587 2HG2 ILE 73 HG23 ILE 73 1.012 2.275 -9.625 588 3HG2 ILE 73 HG22 ILE 73 1.101 3.630 -8.501 589 1HD1 ILE 73 HD13 ILE 73 1.116 -0.538 -8.703 590 2HD1 ILE 73 HD12 ILE 73 -0.248 -0.748 -9.800 591 3HD1 ILE 73 HD11 ILE 73 0.889 0.578 -10.048 592 H GLY 74 HN GLY 74 1.648 3.515 -6.728 593 1HA GLY 74 HA2 GLY 74 2.614 4.157 -4.261 594 2HA GLY 74 HA1 GLY 74 4.053 3.609 -5.109 595 H GLY 75 HN GLY 75 4.402 4.662 -7.242 596 1HA GLY 75 HA2 GLY 75 3.574 6.811 -8.519 597 2HA GLY 75 HA1 GLY 75 4.024 7.582 -6.994 598 H ASN 76 HN ASN 76 6.266 5.902 -6.407 599 HA ASN 76 HA ASN 76 8.148 5.720 -8.546 600 1HB ASN 76 HB2 ASN 76 7.699 8.362 -7.842 601 2HB ASN 76 HB1 ASN 76 9.132 7.942 -6.903 602 1HD2 ASN 76 HD22 ASN 76 10.646 8.925 -10.054 603 2HD2 ASN 76 HD21 ASN 76 10.061 9.599 -8.609 604 H VAL 77 HN VAL 77 10.429 6.614 -6.819 605 HA VAL 77 HA VAL 77 10.156 4.953 -4.402 606 HB VAL 77 HB VAL 77 10.791 3.412 -6.332 607 1HG1 VAL 77 HG13 VAL 77 12.388 5.252 -7.260 608 2HG1 VAL 77 HG12 VAL 77 13.534 4.626 -6.074 609 3HG1 VAL 77 HG11 VAL 77 12.906 3.568 -7.338 610 1HG2 VAL 77 HG22 VAL 77 12.328 3.787 -3.792 611 2HG2 VAL 77 HG21 VAL 77 11.263 2.465 -4.271 612 3HG2 VAL 77 HG23 VAL 77 12.892 2.571 -4.938 613 H ASP 78 HN ASP 78 10.758 6.646 -3.071 614 HA ASP 78 HA ASP 78 13.354 7.981 -3.665 615 1HB ASP 78 HB2 ASP 78 11.432 9.125 -1.696 616 2HB ASP 78 HB1 ASP 78 12.500 9.943 -2.828 617 H GLU 79 HN GLU 79 14.824 8.282 -1.929 618 HA GLU 79 HA GLU 79 14.311 6.558 0.466 619 1HB GLU 79 HB2 GLU 79 16.725 6.140 0.544 620 2HB GLU 79 HB1 GLU 79 16.101 5.694 -1.045 621 1HG GLU 79 HG2 GLU 79 17.268 7.335 -2.099 622 2HG GLU 79 HG1 GLU 79 16.944 8.510 -0.825 623 H ASP 80 HN ASP 80 15.548 7.342 2.448 624 HA ASP 80 HA ASP 80 15.673 10.324 2.436 625 1HB ASP 80 HB2 ASP 80 15.226 10.048 4.941 626 2HB ASP 80 HB1 ASP 80 13.880 9.687 3.866 627 H ASP 81 HN ASP 81 16.758 9.078 5.372 628 HA ASP 81 HA ASP 81 19.563 9.571 4.549 629 1HB ASP 81 HB2 ASP 81 18.497 10.773 6.527 630 2HB ASP 81 HB1 ASP 81 18.502 9.217 7.357 631 H ASP 82 HN ASP 82 17.543 7.119 6.189 632 HA ASP 82 HA ASP 82 19.726 5.158 5.617 633 1HB ASP 82 HB2 ASP 82 18.381 5.798 8.188 634 2HB ASP 82 HB1 ASP 82 18.580 4.081 7.830 635 H ARG 83 HN ARG 83 16.344 5.330 6.748 636 HA ARG 83 HA ARG 83 15.509 2.840 5.682 637 1HB ARG 83 HB2 ARG 83 14.239 5.312 6.650 638 2HB ARG 83 HB1 ARG 83 13.278 4.427 5.473 639 1HG ARG 83 HG2 ARG 83 12.625 3.156 7.232 640 2HG ARG 83 HG1 ARG 83 14.220 2.413 7.105 641 1HD ARG 83 HD2 ARG 83 13.967 3.110 9.388 642 2HD ARG 83 HD1 ARG 83 15.075 4.254 8.628 643 HE ARG 83 HE ARG 83 12.596 5.432 8.292 644 1HH1 ARG 83 HH21 ARG 83 14.402 4.136 10.937 645 2HH1 ARG 83 HH22 ARG 83 13.714 5.216 12.102 646 1HH2 ARG 83 HH11 ARG 83 11.699 6.847 9.802 647 2HH2 ARG 83 HH12 ARG 83 12.187 6.749 11.461 648 H PHE 84 HN PHE 84 13.534 3.139 3.842 649 HA PHE 84 HA PHE 84 13.920 4.950 1.730 650 1HB PHE 84 HB2 PHE 84 16.154 4.148 1.454 651 2HB PHE 84 HB1 PHE 84 15.631 2.469 1.527 652 HD1 PHE 84 HD1 PHE 84 13.624 4.970 -0.254 653 HD2 PHE 84 HD2 PHE 84 16.639 1.947 -0.664 654 HE1 PHE 84 HE1 PHE 84 13.285 4.964 -2.708 655 HE2 PHE 84 HE2 PHE 84 16.302 1.938 -3.118 656 HZ PHE 84 HZ PHE 84 14.622 3.447 -4.142 657 H VAL 85 HN VAL 85 12.048 4.792 0.702 658 HA VAL 85 HA VAL 85 11.252 2.409 -0.587 659 HB VAL 85 HB VAL 85 10.263 1.681 1.489 660 1HG1 VAL 85 HG11 VAL 85 9.341 4.421 1.643 661 2HG1 VAL 85 HG13 VAL 85 8.049 3.270 1.896 662 3HG1 VAL 85 HG12 VAL 85 9.480 3.224 2.915 663 1HG2 VAL 85 HG23 VAL 85 8.650 2.434 -0.875 664 2HG2 VAL 85 HG22 VAL 85 8.930 0.846 -0.161 665 3HG2 VAL 85 HG21 VAL 85 7.744 1.939 0.554 666 H LEU 86 HN LEU 86 8.513 4.267 0.025 667 HA LEU 86 HA LEU 86 9.238 5.946 -2.308 668 1HB LEU 86 HB2 LEU 86 7.893 4.248 -3.247 669 2HB LEU 86 HB1 LEU 86 6.763 4.285 -1.890 670 HG LEU 86 HG LEU 86 6.107 6.582 -2.499 671 1HD1 LEU 86 HD12 LEU 86 8.536 6.483 -3.923 672 2HD1 LEU 86 HD11 LEU 86 7.275 6.631 -5.137 673 3HD1 LEU 86 HD13 LEU 86 7.397 7.824 -3.855 674 1HD2 LEU 86 HD23 LEU 86 5.903 4.360 -4.496 675 2HD2 LEU 86 HD22 LEU 86 4.655 5.048 -3.457 676 3HD2 LEU 86 HD21 LEU 86 5.216 5.940 -4.870 677 H GLU 87 HN GLU 87 8.401 7.966 -2.365 678 HA GLU 87 HA GLU 87 6.677 8.923 -0.148 679 1HB GLU 87 HB2 GLU 87 8.557 10.687 -1.698 680 2HB GLU 87 HB1 GLU 87 7.878 10.945 -0.110 681 1HG GLU 87 HG2 GLU 87 9.327 9.298 0.883 682 2HG GLU 87 HG1 GLU 87 9.867 8.750 -0.704 683 H TRP 88 HN TRP 88 6.509 11.532 -1.590 684 HA TRP 88 HA TRP 88 4.298 10.917 -3.321 685 1HB TRP 88 HB2 TRP 88 4.334 13.122 -2.401 686 2HB TRP 88 HB1 TRP 88 5.983 13.404 -2.959 687 HD1 TRP 88 HD1 TRP 88 3.539 11.739 -5.319 688 HE1 TRP 88 HE1 TRP 88 2.971 13.354 -7.245 689 HE3 TRP 88 HE3 TRP 88 5.756 16.004 -3.585 690 HZ2 TRP 88 HZ2 TRP 88 3.397 16.084 -7.958 691 HZ3 TRP 88 HZ3 TRP 88 5.657 18.096 -4.911 692 HH2 TRP 88 HH2 TRP 88 4.484 18.141 -7.094 693 H LYS 89 HN LYS 89 6.883 12.891 -4.629 694 HA LYS 89 HA LYS 89 7.866 12.804 -6.768 695 1HB LYS 89 HB2 LYS 89 8.465 10.248 -5.351 696 2HB LYS 89 HB1 LYS 89 8.885 10.343 -7.062 697 1HG LYS 89 HG2 LYS 89 10.800 11.102 -5.803 698 2HG LYS 89 HG1 LYS 89 10.071 12.515 -6.566 699 1HD LYS 89 HD2 LYS 89 8.717 12.697 -4.333 700 2HD LYS 89 HD1 LYS 89 10.002 11.682 -3.678 701 1HE LYS 89 HE2 LYS 89 11.660 13.299 -4.092 702 2HE LYS 89 HE1 LYS 89 10.663 14.153 -5.270 703 1HZ LYS 89 HZ3 LYS 89 9.119 14.381 -3.156 704 2HZ LYS 89 HZ2 LYS 89 10.613 14.270 -2.355 705 3HZ LYS 89 HZ1 LYS 89 10.347 15.500 -3.497 706 H ASN 90 HN ASN 90 6.204 13.006 -8.282 707 HA ASN 90 HA ASN 90 4.388 10.845 -8.915 708 1HB ASN 90 HB2 ASN 90 3.776 13.180 -9.358 709 2HB ASN 90 HB1 ASN 90 5.117 13.332 -10.494 710 1HD2 ASN 90 HD22 ASN 90 2.500 10.506 -11.823 711 2HD2 ASN 90 HD21 ASN 90 3.290 10.320 -10.332 No H/Q in entry = 711 Start of MODEL 9 1 1H MET 1 HT1 MET 1 1.029 12.490 11.455 2 2H MET 1 HT3 MET 1 1.066 11.630 12.917 3 3H MET 1 HT2 MET 1 1.964 11.077 11.585 4 HA MET 1 HA MET 1 0.135 10.292 10.469 5 1HB MET 1 HB2 MET 1 0.455 9.578 13.162 6 2HB MET 1 HB1 MET 1 -1.281 9.821 12.963 7 1HG MET 1 HG2 MET 1 -0.819 8.443 10.712 8 2HG MET 1 HG1 MET 1 0.511 7.809 11.683 9 1HE MET 1 HE3 MET 1 0.287 5.753 12.679 10 2HE MET 1 HE2 MET 1 -1.217 4.858 12.888 11 3HE MET 1 HE1 MET 1 -0.741 5.405 11.282 12 H SER 2 HN SER 2 -0.870 12.113 9.443 13 HA SER 2 HA SER 2 -3.528 12.725 10.546 14 1HB SER 2 HB2 SER 2 -2.730 15.265 9.824 15 2HB SER 2 HB1 SER 2 -2.828 14.671 11.479 16 HG SER 2 HG SER 2 -0.676 14.232 11.446 17 H SER 3 HN SER 3 -1.169 13.661 8.023 18 HA SER 3 HA SER 3 -3.284 13.092 6.003 19 1HB SER 3 HB2 SER 3 -1.661 15.262 5.078 20 2HB SER 3 HB1 SER 3 -3.398 15.244 5.367 21 HG SER 3 HG SER 3 -2.748 16.675 6.824 22 H LEU 4 HN LEU 4 -0.714 11.776 7.018 23 HA LEU 4 HA LEU 4 0.557 11.550 4.331 24 1HB LEU 4 HB2 LEU 4 2.639 10.905 5.901 25 2HB LEU 4 HB1 LEU 4 2.324 12.564 5.401 26 HG LEU 4 HG LEU 4 0.986 12.879 7.504 27 1HD1 LEU 4 HD11 LEU 4 1.866 10.032 7.855 28 2HD1 LEU 4 HD13 LEU 4 1.677 11.051 9.281 29 3HD1 LEU 4 HD12 LEU 4 0.304 10.768 8.212 30 1HD2 LEU 4 HD21 LEU 4 3.872 11.987 7.816 31 2HD2 LEU 4 HD23 LEU 4 3.318 13.616 7.427 32 3HD2 LEU 4 HD22 LEU 4 2.979 12.925 9.013 33 H VAL 5 HN VAL 5 2.274 9.433 4.861 34 HA VAL 5 HA VAL 5 0.675 7.279 6.114 35 HB VAL 5 HB VAL 5 1.555 7.058 3.228 36 1HG1 VAL 5 HG12 VAL 5 0.351 5.293 5.223 37 2HG1 VAL 5 HG11 VAL 5 -0.581 5.365 3.727 38 3HG1 VAL 5 HG13 VAL 5 1.118 4.894 3.686 39 1HG2 VAL 5 HG22 VAL 5 -1.090 7.928 4.405 40 2HG2 VAL 5 HG21 VAL 5 -0.106 8.771 3.207 41 3HG2 VAL 5 HG23 VAL 5 -0.945 7.282 2.770 42 H TYR 6 HN TYR 6 1.921 5.239 6.227 43 HA TYR 6 HA TYR 6 4.764 5.341 5.486 44 1HB TYR 6 HB2 TYR 6 5.062 6.367 7.606 45 2HB TYR 6 HB1 TYR 6 3.791 5.396 8.347 46 HD1 TYR 6 HD1 TYR 6 6.856 4.631 6.310 47 HD2 TYR 6 HD2 TYR 6 4.627 3.881 9.904 48 HE1 TYR 6 HE1 TYR 6 8.539 2.947 7.002 49 HE2 TYR 6 HE2 TYR 6 6.312 2.197 10.597 50 HH TYR 6 HH TYR 6 8.654 1.655 10.162 51 H ILE 7 HN ILE 7 5.418 3.222 5.034 52 HA ILE 7 HA ILE 7 4.102 0.948 6.316 53 HB ILE 7 HB ILE 7 3.003 0.019 4.404 54 1HG1 ILE 7 HG12 ILE 7 4.758 0.633 2.753 55 2HG1 ILE 7 HG11 ILE 7 3.139 1.010 2.164 56 1HG2 ILE 7 HG22 ILE 7 1.715 1.824 5.472 57 2HG2 ILE 7 HG21 ILE 7 2.441 2.995 4.375 58 3HG2 ILE 7 HG23 ILE 7 1.380 1.738 3.748 59 1HD1 ILE 7 HD12 ILE 7 3.564 3.355 3.230 60 2HD1 ILE 7 HD11 ILE 7 5.261 2.887 3.166 61 3HD1 ILE 7 HD13 ILE 7 4.317 2.978 1.680 62 H ALA 8 HN ALA 8 5.439 -0.835 6.213 63 HA ALA 8 HA ALA 8 7.595 -0.751 4.150 64 1HB ALA 8 HB3 ALA 8 7.894 -1.560 7.063 65 2HB ALA 8 HB2 ALA 8 9.139 -1.749 5.834 66 3HB ALA 8 HB1 ALA 8 8.601 -0.140 6.303 67 H PHE 9 HN PHE 9 8.501 -3.220 4.028 68 HA PHE 9 HA PHE 9 6.590 -5.258 4.726 69 1HB PHE 9 HB2 PHE 9 6.606 -3.983 2.012 70 2HB PHE 9 HB1 PHE 9 6.273 -5.695 2.155 71 HD1 PHE 9 HD2 PHE 9 4.829 -5.621 4.862 72 HD2 PHE 9 HD1 PHE 9 4.467 -3.193 1.334 73 HE1 PHE 9 HE2 PHE 9 2.488 -5.087 5.468 74 HE2 PHE 9 HE1 PHE 9 2.124 -2.662 1.943 75 HZ PHE 9 HZ PHE 9 1.135 -3.609 4.010 76 H GLN 10 HN GLN 10 7.376 -7.362 4.050 77 HA GLN 10 HA GLN 10 10.175 -7.331 3.031 78 1HB GLN 10 HB2 GLN 10 9.751 -8.017 5.512 79 2HB GLN 10 HB1 GLN 10 9.114 -9.509 4.822 80 1HG GLN 10 HG2 GLN 10 11.915 -8.400 4.621 81 2HG GLN 10 HG1 GLN 10 11.405 -9.974 5.222 82 1HE2 GLN 10 HE22 GLN 10 11.639 -9.364 1.162 83 2HE2 GLN 10 HE21 GLN 10 11.575 -8.032 2.202 84 H ASP 11 HN ASP 11 9.586 -7.752 0.874 85 HA ASP 11 HA ASP 11 7.674 -9.819 0.162 86 1HB ASP 11 HB2 ASP 11 9.559 -8.015 -1.298 87 2HB ASP 11 HB1 ASP 11 8.968 -9.444 -2.144 88 H ASN 12 HN ASN 12 8.922 -11.268 -1.850 89 HA ASN 12 HA ASN 12 10.704 -13.009 -0.245 90 1HB ASN 12 HB2 ASN 12 8.709 -13.985 -1.400 91 2HB ASN 12 HB1 ASN 12 9.428 -13.529 -2.944 92 1HD2 ASN 12 HD22 ASN 12 10.778 -16.836 -2.815 93 2HD2 ASN 12 HD21 ASN 12 9.550 -15.877 -3.487 94 H ASP 13 HN ASP 13 11.199 -13.538 -3.533 95 HA ASP 13 HA ASP 13 13.651 -11.830 -3.478 96 1HB ASP 13 HB2 ASP 13 14.759 -13.560 -4.829 97 2HB ASP 13 HB1 ASP 13 14.159 -14.262 -3.327 98 H ASN 14 HN ASN 14 10.946 -13.086 -5.323 99 HA ASN 14 HA ASN 14 11.717 -11.356 -7.631 100 1HB ASN 14 HB2 ASN 14 9.773 -12.621 -8.749 101 2HB ASN 14 HB1 ASN 14 11.224 -13.557 -8.391 102 1HD2 ASN 14 HD22 ASN 14 7.730 -14.500 -6.569 103 2HD2 ASN 14 HD21 ASN 14 7.828 -13.241 -7.703 104 H ALA 15 HN ALA 15 9.175 -11.934 -5.245 105 HA ALA 15 HA ALA 15 7.215 -10.157 -6.285 106 1HB ALA 15 HB1 ALA 15 7.376 -11.792 -4.088 107 2HB ALA 15 HB3 ALA 15 7.458 -10.192 -3.350 108 3HB ALA 15 HB2 ALA 15 6.085 -10.624 -4.368 109 H ARG 16 HN ARG 16 10.016 -9.571 -4.217 110 HA ARG 16 HA ARG 16 9.432 -6.838 -3.628 111 1HB ARG 16 HB2 ARG 16 11.697 -6.691 -2.902 112 2HB ARG 16 HB1 ARG 16 11.199 -8.349 -2.564 113 1HG ARG 16 HG2 ARG 16 12.231 -9.086 -4.685 114 2HG ARG 16 HG1 ARG 16 12.756 -7.432 -4.999 115 1HD ARG 16 HD2 ARG 16 13.579 -8.115 -2.360 116 2HD ARG 16 HD1 ARG 16 14.059 -9.438 -3.420 117 HE ARG 16 HE ARG 16 15.377 -6.944 -3.252 118 1HH1 ARG 16 HH21 ARG 16 14.029 -9.016 -5.682 119 2HH1 ARG 16 HH22 ARG 16 14.899 -8.262 -6.971 120 1HH2 ARG 16 HH11 ARG 16 16.523 -5.990 -4.925 121 2HH2 ARG 16 HH12 ARG 16 16.314 -6.565 -6.545 122 H TYR 17 HN TYR 17 11.044 -8.400 -6.364 123 HA TYR 17 HA TYR 17 11.975 -5.969 -7.594 124 1HB TYR 17 HB2 TYR 17 12.330 -8.639 -8.100 125 2HB TYR 17 HB1 TYR 17 11.229 -8.182 -9.401 126 HD1 TYR 17 HD2 TYR 17 12.046 -5.309 -9.745 127 HD2 TYR 17 HD1 TYR 17 14.389 -8.878 -9.270 128 HE1 TYR 17 HE2 TYR 17 13.923 -4.241 -10.963 129 HE2 TYR 17 HE1 TYR 17 16.265 -7.810 -10.487 130 HH TYR 17 HH TYR 17 15.920 -4.574 -11.917 131 H VAL 18 HN VAL 18 8.968 -7.829 -7.810 132 HA VAL 18 HA VAL 18 7.790 -6.426 -9.987 133 HB VAL 18 HB VAL 18 6.508 -7.724 -7.563 134 1HG1 VAL 18 HG12 VAL 18 5.378 -6.389 -9.995 135 2HG1 VAL 18 HG11 VAL 18 4.567 -7.825 -9.371 136 3HG1 VAL 18 HG13 VAL 18 4.764 -6.406 -8.342 137 1HG2 VAL 18 HG23 VAL 18 7.903 -9.134 -9.160 138 2HG2 VAL 18 HG22 VAL 18 6.219 -9.632 -8.997 139 3HG2 VAL 18 HG21 VAL 18 6.736 -8.720 -10.416 140 H VAL 19 HN VAL 19 7.423 -5.864 -6.466 141 HA VAL 19 HA VAL 19 5.905 -3.451 -6.762 142 HB VAL 19 HB VAL 19 7.655 -4.476 -4.511 143 1HG1 VAL 19 HG12 VAL 19 5.960 -1.988 -4.745 144 2HG1 VAL 19 HG11 VAL 19 6.289 -2.733 -3.180 145 3HG1 VAL 19 HG13 VAL 19 7.620 -2.133 -4.168 146 1HG2 VAL 19 HG21 VAL 19 4.696 -4.485 -5.127 147 2HG2 VAL 19 HG23 VAL 19 5.736 -5.855 -4.738 148 3HG2 VAL 19 HG22 VAL 19 5.293 -4.699 -3.481 149 H GLU 20 HN GLU 20 9.303 -4.146 -7.013 150 HA GLU 20 HA GLU 20 10.258 -1.463 -6.536 151 1HB GLU 20 HB2 GLU 20 11.783 -3.367 -6.395 152 2HB GLU 20 HB1 GLU 20 11.491 -3.755 -8.091 153 1HG GLU 20 HG2 GLU 20 12.545 -1.735 -8.830 154 2HG GLU 20 HG1 GLU 20 12.582 -1.080 -7.193 155 H ALA 21 HN ALA 21 9.152 -3.201 -9.411 156 HA ALA 21 HA ALA 21 9.944 -1.063 -11.229 157 1HB ALA 21 HB3 ALA 21 9.119 -3.731 -11.505 158 2HB ALA 21 HB2 ALA 21 7.829 -2.781 -12.242 159 3HB ALA 21 HB1 ALA 21 9.489 -2.606 -12.812 160 H ILE 22 HN ILE 22 7.018 -1.954 -9.472 161 HA ILE 22 HA ILE 22 5.301 -0.087 -10.873 162 HB ILE 22 HB ILE 22 5.042 -1.391 -8.145 163 1HG1 ILE 22 HG12 ILE 22 3.294 -2.132 -10.420 164 2HG1 ILE 22 HG11 ILE 22 4.989 -2.588 -10.595 165 1HG2 ILE 22 HG23 ILE 22 3.440 0.642 -9.534 166 2HG2 ILE 22 HG22 ILE 22 2.506 -0.774 -9.052 167 3HG2 ILE 22 HG21 ILE 22 3.402 0.145 -7.842 168 1HD1 ILE 22 HD12 ILE 22 4.473 -3.288 -7.983 169 2HD1 ILE 22 HD11 ILE 22 2.941 -3.657 -8.774 170 3HD1 ILE 22 HD13 ILE 22 4.432 -4.401 -9.350 171 H ILE 23 HN ILE 23 7.288 0.048 -7.943 172 HA ILE 23 HA ILE 23 6.374 2.639 -7.086 173 HB ILE 23 HB ILE 23 8.889 1.046 -6.542 174 1HG1 ILE 23 HG12 ILE 23 6.566 1.862 -4.768 175 2HG1 ILE 23 HG11 ILE 23 6.700 0.298 -5.574 176 1HG2 ILE 23 HG23 ILE 23 8.069 3.763 -5.476 177 2HG2 ILE 23 HG22 ILE 23 9.313 2.754 -4.739 178 3HG2 ILE 23 HG21 ILE 23 9.536 3.374 -6.375 179 1HD1 ILE 23 HD12 ILE 23 8.702 1.425 -3.594 180 2HD1 ILE 23 HD11 ILE 23 7.511 0.173 -3.241 181 3HD1 ILE 23 HD13 ILE 23 8.811 -0.145 -4.389 182 H GLN 24 HN GLN 24 9.341 1.651 -8.860 183 HA GLN 24 HA GLN 24 10.178 4.353 -9.365 184 1HB GLN 24 HB2 GLN 24 10.759 1.718 -10.746 185 2HB GLN 24 HB1 GLN 24 11.454 3.239 -11.309 186 1HG GLN 24 HG2 GLN 24 11.880 3.267 -8.547 187 2HG GLN 24 HG1 GLN 24 12.216 1.602 -9.025 188 1HE2 GLN 24 HE22 GLN 24 14.484 4.568 -10.772 189 2HE2 GLN 24 HE21 GLN 24 12.875 4.907 -10.350 190 H ASP 25 HN ASP 25 7.880 2.202 -10.906 191 HA ASP 25 HA ASP 25 7.539 3.367 -13.424 192 1HB ASP 25 HB2 ASP 25 6.133 1.524 -12.013 193 2HB ASP 25 HB1 ASP 25 5.041 2.901 -11.871 194 H ASN 26 HN ASN 26 6.319 4.445 -10.266 195 HA ASN 26 HA ASN 26 5.290 6.950 -11.439 196 1HB ASN 26 HB2 ASN 26 5.532 6.378 -8.488 197 2HB ASN 26 HB1 ASN 26 4.332 7.358 -9.327 198 1HD2 ASN 26 HD22 ASN 26 3.770 3.333 -8.989 199 2HD2 ASN 26 HD21 ASN 26 5.225 4.044 -8.481 200 HA PRO 27 HA PRO 27 9.266 8.676 -10.574 201 1HB PRO 27 HB2 PRO 27 8.499 11.205 -11.703 202 2HB PRO 27 HB1 PRO 27 9.510 9.950 -12.432 203 1HG PRO 27 HG2 PRO 27 6.807 10.663 -13.130 204 2HG PRO 27 HG1 PRO 27 7.829 9.420 -13.865 205 1HD PRO 27 HD2 PRO 27 5.556 9.035 -12.150 206 2HD PRO 27 HD1 PRO 27 6.601 7.794 -12.865 207 H HIS 28 HN HIS 28 7.555 8.646 -8.382 208 HA HIS 28 HA HIS 28 8.217 11.221 -7.120 209 1HB HIS 28 HB2 HIS 28 5.873 11.262 -8.275 210 2HB HIS 28 HB1 HIS 28 5.383 10.264 -6.910 211 HD1 HIS 28 HD1 HIS 28 4.786 13.468 -7.593 212 HD2 HIS 28 HD2 HIS 28 7.157 11.851 -4.568 213 HE1 HIS 28 HE1 HIS 28 4.951 15.238 -5.788 214 H ALA 29 HN ALA 29 6.420 8.155 -6.719 215 HA ALA 29 HA ALA 29 6.339 7.869 -3.989 216 1HB ALA 29 HB2 ALA 29 6.594 6.014 -6.246 217 2HB ALA 29 HB1 ALA 29 7.253 5.368 -4.743 218 3HB ALA 29 HB3 ALA 29 5.575 5.904 -4.811 219 H VAL 30 HN VAL 30 7.781 7.432 -2.325 220 HA VAL 30 HA VAL 30 10.654 7.760 -3.009 221 HB VAL 30 HB VAL 30 9.531 7.685 -0.215 222 1HG1 VAL 30 HG12 VAL 30 12.045 8.365 -1.537 223 2HG1 VAL 30 HG11 VAL 30 11.469 9.669 -0.497 224 3HG1 VAL 30 HG13 VAL 30 11.726 8.057 0.170 225 1HG2 VAL 30 HG21 VAL 30 9.262 9.831 -2.298 226 2HG2 VAL 30 HG23 VAL 30 8.107 9.323 -1.066 227 3HG2 VAL 30 HG22 VAL 30 9.507 10.295 -0.614 228 H VAL 31 HN VAL 31 12.219 6.364 -1.814 229 HA VAL 31 HA VAL 31 11.194 3.826 -0.748 230 HB VAL 31 HB VAL 31 13.180 3.333 -2.871 231 1HG1 VAL 31 HG13 VAL 31 11.923 1.625 -1.496 232 2HG1 VAL 31 HG12 VAL 31 10.457 2.112 -2.348 233 3HG1 VAL 31 HG11 VAL 31 11.797 1.391 -3.239 234 1HG2 VAL 31 HG23 VAL 31 11.695 5.131 -3.883 235 2HG2 VAL 31 HG22 VAL 31 11.681 3.590 -4.742 236 3HG2 VAL 31 HG21 VAL 31 10.340 4.021 -3.681 237 H GLN 32 HN GLN 32 12.942 2.568 0.254 238 HA GLN 32 HA GLN 32 15.662 3.547 0.281 239 1HB GLN 32 HB2 GLN 32 13.928 5.041 1.854 240 2HB GLN 32 HB1 GLN 32 14.637 3.903 3.000 241 1HG GLN 32 HG2 GLN 32 16.512 5.174 1.074 242 2HG GLN 32 HG1 GLN 32 15.841 6.221 2.326 243 1HE2 GLN 32 HE22 GLN 32 18.217 5.014 4.615 244 2HE2 GLN 32 HE21 GLN 32 17.397 6.345 3.956 245 H HIS 33 HN HIS 33 15.859 1.214 -0.081 246 HA HIS 33 HA HIS 33 15.479 -0.365 2.428 247 1HB HIS 33 HB2 HIS 33 15.515 -2.340 0.733 248 2HB HIS 33 HB1 HIS 33 14.043 -1.381 0.867 249 HD1 HIS 33 HD1 HIS 33 13.848 0.632 -0.969 250 HD2 HIS 33 HD2 HIS 33 16.591 -2.389 -1.821 251 HE1 HIS 33 HE1 HIS 33 14.375 0.819 -3.439 252 H HIS 34 HN HIS 34 17.088 -2.223 2.568 253 HA HIS 34 HA HIS 34 19.567 -2.019 1.072 254 1HB HIS 34 HB2 HIS 34 19.288 -0.370 3.393 255 2HB HIS 34 HB1 HIS 34 20.440 -1.654 3.767 256 HD1 HIS 34 HD1 HIS 34 22.766 -1.282 2.951 257 HD2 HIS 34 HD2 HIS 34 20.004 0.965 0.783 258 HE1 HIS 34 HE1 HIS 34 24.106 0.138 1.340 259 HA PRO 35 HA PRO 35 19.751 -5.515 4.171 260 1HB PRO 35 HB2 PRO 35 17.506 -5.640 5.949 261 2HB PRO 35 HB1 PRO 35 19.195 -5.314 6.362 262 1HG PRO 35 HG2 PRO 35 16.991 -3.456 6.346 263 2HG PRO 35 HG1 PRO 35 18.678 -3.142 6.776 264 1HD PRO 35 HD2 PRO 35 17.282 -2.312 4.403 265 2HD PRO 35 HD1 PRO 35 18.969 -2.005 4.842 266 H ALA 36 HN ALA 36 17.958 -7.481 4.891 267 HA ALA 36 HA ALA 36 16.747 -8.163 2.335 268 1HB ALA 36 HB2 ALA 36 17.751 -9.835 3.940 269 2HB ALA 36 HB1 ALA 36 16.372 -9.552 5.003 270 3HB ALA 36 HB3 ALA 36 16.122 -10.242 3.400 271 H MET 37 HN MET 37 15.755 -6.192 4.844 272 HA MET 37 HA MET 37 12.876 -6.853 4.545 273 1HB MET 37 HB2 MET 37 13.760 -4.564 6.232 274 2HB MET 37 HB1 MET 37 12.530 -5.785 6.553 275 1HG MET 37 HG2 MET 37 14.378 -7.462 6.880 276 2HG MET 37 HG1 MET 37 15.534 -6.137 6.746 277 1HE MET 37 HE3 MET 37 15.773 -4.220 8.223 278 2HE MET 37 HE2 MET 37 15.712 -4.495 9.962 279 3HE MET 37 HE1 MET 37 16.629 -5.595 8.935 280 H ILE 38 HN ILE 38 11.362 -5.235 3.820 281 HA ILE 38 HA ILE 38 12.690 -3.091 2.198 282 HB ILE 38 HB ILE 38 9.859 -3.866 1.653 283 1HG1 ILE 38 HG12 ILE 38 12.275 -5.583 1.014 284 2HG1 ILE 38 HG11 ILE 38 10.826 -6.065 1.892 285 1HG2 ILE 38 HG22 ILE 38 12.286 -3.167 -0.021 286 2HG2 ILE 38 HG21 ILE 38 10.697 -3.542 -0.687 287 3HG2 ILE 38 HG23 ILE 38 10.912 -2.119 0.333 288 1HD1 ILE 38 HD12 ILE 38 10.808 -5.134 -0.989 289 2HD1 ILE 38 HD11 ILE 38 10.865 -6.830 -0.508 290 3HD1 ILE 38 HD13 ILE 38 9.464 -5.843 -0.093 291 H ARG 39 HN ARG 39 11.443 -1.027 2.038 292 HA ARG 39 HA ARG 39 9.495 -0.553 4.214 293 1HB ARG 39 HB2 ARG 39 11.505 -0.110 5.417 294 2HB ARG 39 HB1 ARG 39 12.227 0.731 4.046 295 1HG ARG 39 HG2 ARG 39 9.668 1.767 5.230 296 2HG ARG 39 HG1 ARG 39 11.201 2.124 6.025 297 1HD ARG 39 HD2 ARG 39 11.456 2.535 3.186 298 2HD ARG 39 HD1 ARG 39 10.079 3.452 3.792 299 HE ARG 39 HE ARG 39 12.787 4.186 4.133 300 1HH1 ARG 39 HH21 ARG 39 9.950 3.744 6.075 301 2HH1 ARG 39 HH22 ARG 39 10.574 4.660 7.401 302 1HH2 ARG 39 HH11 ARG 39 13.577 5.398 5.846 303 2HH2 ARG 39 HH12 ARG 39 12.613 5.601 7.270 304 H ILE 40 HN ILE 40 8.359 1.485 3.942 305 HA ILE 40 HA ILE 40 8.918 3.113 1.565 306 HB ILE 40 HB ILE 40 6.243 1.716 1.767 307 1HG1 ILE 40 HG12 ILE 40 8.679 0.943 0.130 308 2HG1 ILE 40 HG11 ILE 40 7.955 -0.003 1.431 309 1HG2 ILE 40 HG21 ILE 40 7.556 3.653 -0.052 310 2HG2 ILE 40 HG23 ILE 40 6.663 2.357 -0.847 311 3HG2 ILE 40 HG22 ILE 40 5.842 3.420 0.296 312 1HD1 ILE 40 HD12 ILE 40 5.857 0.613 -0.367 313 2HD1 ILE 40 HD11 ILE 40 7.219 0.083 -1.354 314 3HD1 ILE 40 HD13 ILE 40 6.594 -0.964 -0.079 315 H GLU 41 HN GLU 41 6.989 4.809 1.404 316 HA GLU 41 HA GLU 41 5.338 5.359 3.653 317 1HB GLU 41 HB2 GLU 41 7.504 5.602 4.846 318 2HB GLU 41 HB1 GLU 41 7.991 6.840 3.688 319 1HG GLU 41 HG2 GLU 41 5.641 7.895 4.413 320 2HG GLU 41 HG1 GLU 41 5.980 6.987 5.886 321 H ALA 42 HN ALA 42 4.068 7.175 3.247 322 HA ALA 42 HA ALA 42 4.820 8.812 0.868 323 1HB ALA 42 HB1 ALA 42 2.986 6.978 0.544 324 2HB ALA 42 HB3 ALA 42 1.961 8.085 1.458 325 3HB ALA 42 HB2 ALA 42 2.677 8.603 -0.068 326 H GLU 43 HN GLU 43 2.502 10.442 0.972 327 HA GLU 43 HA GLU 43 2.213 11.538 3.650 328 1HB GLU 43 HB2 GLU 43 3.238 13.752 3.071 329 2HB GLU 43 HB1 GLU 43 4.415 12.441 3.171 330 1HG GLU 43 HG2 GLU 43 4.041 12.165 0.630 331 2HG GLU 43 HG1 GLU 43 3.286 13.758 0.701 332 H LYS 44 HN LYS 44 0.041 10.904 2.535 333 HA LYS 44 HA LYS 44 -1.189 13.386 1.584 334 1HB LYS 44 HB2 LYS 44 -0.368 11.295 -0.277 335 2HB LYS 44 HB1 LYS 44 -2.103 11.606 -0.357 336 1HG LYS 44 HG2 LYS 44 -1.578 14.065 -0.523 337 2HG LYS 44 HG1 LYS 44 0.127 13.633 -0.658 338 1HD LYS 44 HD2 LYS 44 -1.262 11.990 -2.499 339 2HD LYS 44 HD1 LYS 44 -1.896 13.623 -2.708 340 1HE LYS 44 HE2 LYS 44 0.988 12.723 -2.881 341 2HE LYS 44 HE1 LYS 44 0.012 13.470 -4.146 342 1HZ LYS 44 HZ1 LYS 44 -0.146 15.272 -2.154 343 2HZ LYS 44 HZ3 LYS 44 1.436 14.692 -1.958 344 3HZ LYS 44 HZ2 LYS 44 0.954 15.354 -3.447 345 H ARG 45 HN ARG 45 -3.552 12.316 0.586 346 HA ARG 45 HA ARG 45 -4.553 10.549 2.778 347 1HB ARG 45 HB2 ARG 45 -6.522 11.939 3.029 348 2HB ARG 45 HB1 ARG 45 -5.107 12.983 3.186 349 1HG ARG 45 HG2 ARG 45 -5.357 13.336 0.625 350 2HG ARG 45 HG1 ARG 45 -6.990 12.708 0.850 351 1HD ARG 45 HD2 ARG 45 -5.758 15.181 2.074 352 2HD ARG 45 HD1 ARG 45 -7.206 15.066 1.074 353 HE ARG 45 HE ARG 45 -7.808 13.516 3.290 354 1HH1 ARG 45 HH21 ARG 45 -6.675 16.731 2.720 355 2HH1 ARG 45 HH22 ARG 45 -7.432 17.385 4.134 356 1HH2 ARG 45 HH11 ARG 45 -8.795 14.358 5.136 357 2HH2 ARG 45 HH12 ARG 45 -8.629 16.043 5.500 358 H LEU 46 HN LEU 46 -7.198 10.366 1.924 359 HA LEU 46 HA LEU 46 -7.317 9.928 -0.941 360 1HB LEU 46 HB2 LEU 46 -6.519 7.738 0.822 361 2HB LEU 46 HB1 LEU 46 -7.947 7.348 -0.132 362 HG LEU 46 HG LEU 46 -5.246 8.256 -1.162 363 1HD1 LEU 46 HD11 LEU 46 -6.594 5.707 -0.828 364 2HD1 LEU 46 HD13 LEU 46 -6.209 5.997 -2.525 365 3HD1 LEU 46 HD12 LEU 46 -4.929 6.030 -1.312 366 1HD2 LEU 46 HD23 LEU 46 -7.960 8.323 -2.392 367 2HD2 LEU 46 HD22 LEU 46 -6.559 9.346 -2.708 368 3HD2 LEU 46 HD21 LEU 46 -6.644 7.728 -3.404 369 H GLU 47 HN GLU 47 -9.453 9.254 -1.634 370 HA GLU 47 HA GLU 47 -11.549 9.094 0.453 371 1HB GLU 47 HB2 GLU 47 -10.983 11.486 -1.032 372 2HB GLU 47 HB1 GLU 47 -12.541 10.851 -1.561 373 1HG GLU 47 HG2 GLU 47 -13.531 11.418 0.385 374 2HG GLU 47 HG1 GLU 47 -12.237 10.683 1.332 375 H ILE 48 HN ILE 48 -13.278 7.818 -0.241 376 HA ILE 48 HA ILE 48 -13.522 7.192 -3.125 377 HB ILE 48 HB ILE 48 -13.462 4.862 -1.245 378 1HG1 ILE 48 HG12 ILE 48 -10.962 4.688 -1.932 379 2HG1 ILE 48 HG11 ILE 48 -11.077 6.420 -2.244 380 1HG2 ILE 48 HG22 ILE 48 -12.679 5.309 -4.141 381 2HG2 ILE 48 HG21 ILE 48 -12.603 3.758 -3.305 382 3HG2 ILE 48 HG23 ILE 48 -14.160 4.543 -3.568 383 1HD1 ILE 48 HD12 ILE 48 -12.277 5.711 0.315 384 2HD1 ILE 48 HD11 ILE 48 -10.584 5.224 0.232 385 3HD1 ILE 48 HD13 ILE 48 -11.031 6.908 -0.041 386 H ARG 49 HN ARG 49 -15.559 6.068 -3.608 387 HA ARG 49 HA ARG 49 -17.641 6.722 -1.584 388 1HB ARG 49 HB2 ARG 49 -18.305 5.841 -4.368 389 2HB ARG 49 HB1 ARG 49 -19.137 7.003 -3.334 390 1HG ARG 49 HG2 ARG 49 -17.311 8.615 -3.638 391 2HG ARG 49 HG1 ARG 49 -16.429 7.450 -4.627 392 1HD ARG 49 HD2 ARG 49 -19.105 7.724 -5.638 393 2HD ARG 49 HD1 ARG 49 -18.382 9.323 -5.485 394 HE ARG 49 HE ARG 49 -17.784 7.460 -7.530 395 1HH1 ARG 49 HH21 ARG 49 -16.107 9.423 -5.217 396 2HH1 ARG 49 HH22 ARG 49 -14.597 9.318 -6.052 397 1HH2 ARG 49 HH11 ARG 49 -15.825 7.348 -8.618 398 2HH2 ARG 49 HH12 ARG 49 -14.438 8.160 -7.973 399 H ARG 50 HN ARG 50 -19.561 4.904 -2.900 400 HA ARG 50 HA ARG 50 -19.053 2.545 -1.304 401 1HB ARG 50 HB2 ARG 50 -21.264 3.697 -2.630 402 2HB ARG 50 HB1 ARG 50 -21.036 2.111 -3.365 403 1HG ARG 50 HG2 ARG 50 -20.667 1.653 -0.636 404 2HG ARG 50 HG1 ARG 50 -22.017 2.787 -0.705 405 1HD ARG 50 HD2 ARG 50 -21.923 0.373 -2.511 406 2HD ARG 50 HD1 ARG 50 -22.560 0.257 -0.871 407 HE ARG 50 HE ARG 50 -23.914 2.419 -1.941 408 1HH1 ARG 50 HH21 ARG 50 -23.329 -0.857 -2.870 409 2HH1 ARG 50 HH22 ARG 50 -24.835 -1.024 -3.707 410 1HH2 ARG 50 HH11 ARG 50 -25.883 2.210 -3.027 411 2HH2 ARG 50 HH12 ARG 50 -26.280 0.709 -3.795 412 H GLU 51 HN GLU 51 -17.776 3.505 -4.233 413 HA GLU 51 HA GLU 51 -17.820 0.999 -5.677 414 1HB GLU 51 HB2 GLU 51 -16.035 2.052 -7.045 415 2HB GLU 51 HB1 GLU 51 -17.410 3.134 -6.821 416 1HG GLU 51 HG2 GLU 51 -16.249 4.324 -5.045 417 2HG GLU 51 HG1 GLU 51 -14.907 3.181 -5.111 418 H THR 52 HN THR 52 -15.865 2.283 -3.090 419 HA THR 52 HA THR 52 -13.542 0.664 -3.489 420 HB THR 52 HB THR 52 -14.347 1.195 -0.698 421 HG1 THR 52 HG1 THR 52 -15.020 3.122 -1.142 422 1HG2 THR 52 HG21 THR 52 -11.930 1.770 -2.424 423 2HG2 THR 52 HG23 THR 52 -12.043 2.236 -0.727 424 3HG2 THR 52 HG22 THR 52 -12.085 0.531 -1.178 425 H VAL 53 HN VAL 53 -16.448 0.114 -1.470 426 HA VAL 53 HA VAL 53 -15.728 -2.389 -0.417 427 HB VAL 53 HB VAL 53 -18.443 -1.402 -1.345 428 1HG1 VAL 53 HG12 VAL 53 -18.165 -3.943 -1.158 429 2HG1 VAL 53 HG11 VAL 53 -17.895 -3.682 0.565 430 3HG1 VAL 53 HG13 VAL 53 -19.433 -3.224 -0.166 431 1HG2 VAL 53 HG23 VAL 53 -16.745 -0.879 0.940 432 2HG2 VAL 53 HG22 VAL 53 -18.291 -0.142 0.520 433 3HG2 VAL 53 HG21 VAL 53 -18.251 -1.632 1.462 434 H GLU 54 HN GLU 54 -16.614 -1.518 -3.685 435 HA GLU 54 HA GLU 54 -17.186 -4.187 -4.584 436 1HB GLU 54 HB2 GLU 54 -16.412 -1.652 -6.047 437 2HB GLU 54 HB1 GLU 54 -17.070 -3.092 -6.774 438 1HG GLU 54 HG2 GLU 54 -18.956 -2.731 -4.923 439 2HG GLU 54 HG1 GLU 54 -18.429 -1.057 -5.102 440 H GLU 55 HN GLU 55 -14.350 -2.036 -4.595 441 HA GLU 55 HA GLU 55 -12.673 -3.768 -6.159 442 1HB GLU 55 HB2 GLU 55 -11.845 -1.774 -4.027 443 2HB GLU 55 HB1 GLU 55 -10.822 -2.414 -5.312 444 1HG GLU 55 HG2 GLU 55 -13.402 -1.017 -5.985 445 2HG GLU 55 HG1 GLU 55 -11.942 -0.082 -5.657 446 H ASN 56 HN ASN 56 -13.057 -3.370 -2.631 447 HA ASN 56 HA ASN 56 -11.129 -5.271 -1.816 448 1HB ASN 56 HB2 ASN 56 -12.951 -3.665 -0.528 449 2HB ASN 56 HB1 ASN 56 -13.613 -5.272 -0.231 450 1HD2 ASN 56 HD22 ASN 56 -10.591 -6.360 1.517 451 2HD2 ASN 56 HD21 ASN 56 -11.681 -6.940 0.351 452 H LEU 57 HN LEU 57 -14.568 -5.728 -2.656 453 HA LEU 57 HA LEU 57 -14.747 -8.488 -2.044 454 1HB LEU 57 HB2 LEU 57 -16.719 -7.161 -2.642 455 2HB LEU 57 HB1 LEU 57 -16.095 -6.936 -4.276 456 HG LEU 57 HG LEU 57 -15.998 -9.594 -4.228 457 1HD1 LEU 57 HD11 LEU 57 -16.774 -9.624 -1.828 458 2HD1 LEU 57 HD13 LEU 57 -18.320 -8.981 -2.380 459 3HD1 LEU 57 HD12 LEU 57 -17.783 -10.571 -2.921 460 1HD2 LEU 57 HD21 LEU 57 -17.958 -7.604 -5.055 461 2HD2 LEU 57 HD23 LEU 57 -17.422 -9.058 -5.899 462 3HD2 LEU 57 HD22 LEU 57 -18.723 -9.156 -4.712 463 H GLY 58 HN GLY 58 -14.010 -6.991 -5.222 464 1HA GLY 58 HA2 GLY 58 -13.275 -9.538 -6.399 465 2HA GLY 58 HA1 GLY 58 -13.001 -7.953 -7.121 466 H ARG 59 HN ARG 59 -11.724 -7.694 -4.115 467 HA ARG 59 HA ARG 59 -9.040 -8.628 -5.050 468 1HB ARG 59 HB2 ARG 59 -9.732 -6.038 -4.616 469 2HB ARG 59 HB1 ARG 59 -9.179 -6.488 -3.004 470 1HG ARG 59 HG2 ARG 59 -7.041 -7.225 -3.877 471 2HG ARG 59 HG1 ARG 59 -7.592 -6.990 -5.536 472 1HD ARG 59 HD2 ARG 59 -7.610 -4.636 -5.322 473 2HD ARG 59 HD1 ARG 59 -7.574 -4.711 -3.560 474 HE ARG 59 HE ARG 59 -5.201 -5.921 -4.322 475 1HH1 ARG 59 HH21 ARG 59 -6.807 -2.933 -4.977 476 2HH1 ARG 59 HH22 ARG 59 -5.337 -2.043 -5.189 477 1HH2 ARG 59 HH11 ARG 59 -3.280 -4.768 -4.596 478 2HH2 ARG 59 HH12 ARG 59 -3.344 -3.079 -4.973 479 H ALA 60 HN ALA 60 -11.377 -9.587 -3.084 480 HA ALA 60 HA ALA 60 -10.222 -9.755 -0.483 481 1HB ALA 60 HB2 ALA 60 -12.571 -10.648 -1.717 482 2HB ALA 60 HB1 ALA 60 -11.763 -12.122 -1.185 483 3HB ALA 60 HB3 ALA 60 -12.138 -10.853 -0.019 484 H TRP 61 HN TRP 61 -9.642 -11.573 -3.415 485 HA TRP 61 HA TRP 61 -8.101 -13.640 -1.977 486 1HB TRP 61 HB2 TRP 61 -9.570 -13.812 -4.222 487 2HB TRP 61 HB1 TRP 61 -8.010 -13.427 -4.948 488 HD1 TRP 61 HD1 TRP 61 -6.091 -14.943 -3.006 489 HE1 TRP 61 HE1 TRP 61 -6.043 -17.520 -2.970 490 HE3 TRP 61 HE3 TRP 61 -10.675 -15.940 -5.026 491 HZ2 TRP 61 HZ2 TRP 61 -7.726 -19.713 -3.698 492 HZ3 TRP 61 HZ3 TRP 61 -11.426 -18.281 -5.343 493 HH2 TRP 61 HH2 TRP 61 -9.958 -20.167 -4.682 494 H ASP 62 HN ASP 62 -7.239 -10.780 -1.955 495 HA ASP 62 HA ASP 62 -4.638 -11.059 -3.404 496 1HB ASP 62 HB2 ASP 62 -6.449 -8.977 -3.484 497 2HB ASP 62 HB1 ASP 62 -5.281 -8.419 -2.285 498 H VAL 63 HN VAL 63 -5.860 -11.646 -0.454 499 HA VAL 63 HA VAL 63 -4.010 -10.228 1.270 500 HB VAL 63 HB VAL 63 -5.438 -12.824 1.874 501 1HG1 VAL 63 HG11 VAL 63 -3.658 -11.837 3.440 502 2HG1 VAL 63 HG13 VAL 63 -4.793 -10.516 3.716 503 3HG1 VAL 63 HG12 VAL 63 -5.237 -12.166 4.153 504 1HG2 VAL 63 HG22 VAL 63 -6.810 -10.775 0.903 505 2HG2 VAL 63 HG21 VAL 63 -7.417 -11.673 2.294 506 3HG2 VAL 63 HG23 VAL 63 -6.590 -10.134 2.531 507 H GLN 64 HN GLN 64 -4.149 -13.598 0.072 508 HA GLN 64 HA GLN 64 -1.833 -14.598 1.277 509 1HB GLN 64 HB2 GLN 64 -2.654 -15.141 -1.591 510 2HB GLN 64 HB1 GLN 64 -1.717 -16.201 -0.537 511 1HG GLN 64 HG2 GLN 64 -4.623 -15.406 -0.233 512 2HG GLN 64 HG1 GLN 64 -3.977 -17.022 -0.516 513 1HE2 GLN 64 HE22 GLN 64 -4.530 -15.961 3.239 514 2HE2 GLN 64 HE21 GLN 64 -5.365 -15.340 1.898 515 H GLU 65 HN GLU 65 -2.058 -12.819 -1.817 516 HA GLU 65 HA GLU 65 0.809 -12.791 -2.214 517 1HB GLU 65 HB2 GLU 65 -1.523 -11.348 -3.450 518 2HB GLU 65 HB1 GLU 65 0.125 -10.837 -3.818 519 1HG GLU 65 HG2 GLU 65 -0.402 -13.757 -3.963 520 2HG GLU 65 HG1 GLU 65 -1.154 -12.768 -5.214 521 H MET 66 HN MET 66 -1.436 -10.802 -0.434 522 HA MET 66 HA MET 66 0.425 -8.550 -0.199 523 1HB MET 66 HB2 MET 66 -2.338 -9.044 0.380 524 2HB MET 66 HB1 MET 66 -1.552 -8.466 1.849 525 1HG MET 66 HG2 MET 66 -0.459 -6.729 0.147 526 2HG MET 66 HG1 MET 66 -1.921 -7.081 -0.774 527 1HE MET 66 HE3 MET 66 -1.726 -4.378 -0.318 528 2HE MET 66 HE2 MET 66 -3.354 -4.966 -0.650 529 3HE MET 66 HE1 MET 66 -3.094 -3.794 0.639 530 H LEU 67 HN LEU 67 0.082 -11.589 1.284 531 HA LEU 67 HA LEU 67 1.196 -10.745 3.878 532 1HB LEU 67 HB2 LEU 67 -0.443 -12.637 3.685 533 2HB LEU 67 HB1 LEU 67 0.778 -13.548 2.797 534 HG LEU 67 HG LEU 67 2.317 -13.065 4.826 535 1HD1 LEU 67 HD13 LEU 67 0.829 -11.368 5.848 536 2HD1 LEU 67 HD12 LEU 67 -0.411 -12.602 6.073 537 3HD1 LEU 67 HD11 LEU 67 1.117 -12.718 6.946 538 1HD2 LEU 67 HD23 LEU 67 0.262 -15.066 4.351 539 2HD2 LEU 67 HD22 LEU 67 1.889 -15.276 5.002 540 3HD2 LEU 67 HD21 LEU 67 0.555 -14.860 6.078 541 H VAL 68 HN VAL 68 2.328 -11.876 0.805 542 HA VAL 68 HA VAL 68 4.804 -13.050 1.553 543 HB VAL 68 HB VAL 68 4.347 -11.342 -0.900 544 1HG1 VAL 68 HG12 VAL 68 6.566 -12.766 0.016 545 2HG1 VAL 68 HG11 VAL 68 5.823 -13.841 -1.167 546 3HG1 VAL 68 HG13 VAL 68 6.297 -12.208 -1.635 547 1HG2 VAL 68 HG22 VAL 68 3.430 -14.138 -0.225 548 2HG2 VAL 68 HG21 VAL 68 2.487 -12.810 -0.903 549 3HG2 VAL 68 HG23 VAL 68 3.689 -13.636 -1.896 550 H ASP 69 HN ASP 69 3.843 -9.673 1.207 551 HA ASP 69 HA ASP 69 6.622 -8.808 1.842 552 1HB ASP 69 HB2 ASP 69 4.661 -6.666 1.529 553 2HB ASP 69 HB1 ASP 69 6.158 -6.946 0.644 554 H VAL 70 HN VAL 70 6.562 -9.454 4.081 555 HA VAL 70 HA VAL 70 4.582 -8.072 5.835 556 HB VAL 70 HB VAL 70 4.795 -10.420 6.292 557 1HG1 VAL 70 HG12 VAL 70 7.753 -9.793 6.111 558 2HG1 VAL 70 HG11 VAL 70 7.166 -11.276 6.860 559 3HG1 VAL 70 HG13 VAL 70 6.830 -10.955 5.159 560 1HG2 VAL 70 HG22 VAL 70 5.144 -8.546 8.199 561 2HG2 VAL 70 HG21 VAL 70 5.189 -10.270 8.572 562 3HG2 VAL 70 HG23 VAL 70 6.693 -9.374 8.352 563 H ILE 71 HN ILE 71 5.255 -6.516 7.379 564 HA ILE 71 HA ILE 71 7.680 -6.311 8.608 565 HB ILE 71 HB ILE 71 8.016 -5.645 5.841 566 1HG1 ILE 71 HG12 ILE 71 9.412 -7.116 7.308 567 2HG1 ILE 71 HG11 ILE 71 10.347 -5.905 6.429 568 1HG2 ILE 71 HG23 ILE 71 7.634 -3.313 6.773 569 2HG2 ILE 71 HG22 ILE 71 9.087 -3.559 7.736 570 3HG2 ILE 71 HG21 ILE 71 9.181 -3.574 5.975 571 1HD1 ILE 71 HD12 ILE 71 9.592 -4.604 8.781 572 2HD1 ILE 71 HD11 ILE 71 10.000 -6.237 9.305 573 3HD1 ILE 71 HD13 ILE 71 11.185 -5.270 8.426 574 H THR 72 HN THR 72 5.600 -3.891 6.860 575 HA THR 72 HA THR 72 4.794 -2.827 9.441 576 HB THR 72 HB THR 72 6.376 -0.869 7.834 577 HG1 THR 72 HG1 THR 72 8.165 -1.440 9.121 578 1HG2 THR 72 HG21 THR 72 5.040 -1.021 10.431 579 2HG2 THR 72 HG23 THR 72 6.699 -0.435 10.552 580 3HG2 THR 72 HG22 THR 72 5.545 0.396 9.509 581 H ILE 73 HN ILE 73 3.600 -0.712 9.228 582 HA ILE 73 HA ILE 73 2.494 0.028 6.642 583 HB ILE 73 HB ILE 73 0.270 -0.779 8.384 584 1HG1 ILE 73 HG12 ILE 73 1.801 -3.005 7.019 585 2HG1 ILE 73 HG11 ILE 73 2.009 -2.639 8.733 586 1HG2 ILE 73 HG21 ILE 73 0.845 -0.317 5.642 587 2HG2 ILE 73 HG23 ILE 73 0.294 -1.987 5.778 588 3HG2 ILE 73 HG22 ILE 73 -0.721 -0.672 6.373 589 1HD1 ILE 73 HD11 ILE 73 -0.676 -2.712 8.652 590 2HD1 ILE 73 HD13 ILE 73 -0.333 -3.813 7.318 591 3HD1 ILE 73 HD12 ILE 73 0.296 -4.157 8.929 592 H GLY 74 HN GLY 74 0.802 1.834 7.017 593 1HA GLY 74 HA2 GLY 74 0.287 2.962 9.552 594 2HA GLY 74 HA1 GLY 74 1.793 3.668 8.973 595 H GLY 75 HN GLY 75 -1.265 2.805 7.331 596 1HA GLY 75 HA2 GLY 75 -1.240 5.550 6.157 597 2HA GLY 75 HA1 GLY 75 -2.080 4.163 5.455 598 H ASN 76 HN ASN 76 -4.156 3.717 6.127 599 HA ASN 76 HA ASN 76 -5.292 4.578 8.606 600 1HB ASN 76 HB2 ASN 76 -5.056 6.646 6.716 601 2HB ASN 76 HB1 ASN 76 -6.745 6.143 6.638 602 1HD2 ASN 76 HD22 ASN 76 -7.115 8.386 9.394 603 2HD2 ASN 76 HD21 ASN 76 -7.340 8.210 7.721 604 H VAL 77 HN VAL 77 -7.924 4.678 8.096 605 HA VAL 77 HA VAL 77 -8.950 3.115 5.969 606 HB VAL 77 HB VAL 77 -7.529 1.328 7.018 607 1HG1 VAL 77 HG11 VAL 77 -8.608 2.417 9.394 608 2HG1 VAL 77 HG13 VAL 77 -9.277 0.792 9.251 609 3HG1 VAL 77 HG12 VAL 77 -7.530 1.029 9.248 610 1HG2 VAL 77 HG22 VAL 77 -9.610 0.793 5.761 611 2HG2 VAL 77 HG21 VAL 77 -9.299 -0.369 7.050 612 3HG2 VAL 77 HG23 VAL 77 -10.521 0.883 7.269 613 H ASP 78 HN ASP 78 -10.195 5.175 6.734 614 HA ASP 78 HA ASP 78 -12.008 4.570 9.007 615 1HB ASP 78 HB2 ASP 78 -12.284 7.132 7.541 616 2HB ASP 78 HB1 ASP 78 -12.265 6.821 9.273 617 H GLU 79 HN GLU 79 -14.211 4.333 8.750 618 HA GLU 79 HA GLU 79 -15.271 4.449 5.956 619 1HB GLU 79 HB2 GLU 79 -14.919 2.093 6.697 620 2HB GLU 79 HB1 GLU 79 -15.977 2.394 8.076 621 1HG GLU 79 HG2 GLU 79 -17.433 3.310 5.872 622 2HG GLU 79 HG1 GLU 79 -16.681 1.816 5.312 623 H ASP 80 HN ASP 80 -17.406 5.264 5.791 624 HA ASP 80 HA ASP 80 -18.436 6.489 8.311 625 1HB ASP 80 HB2 ASP 80 -17.875 8.082 6.510 626 2HB ASP 80 HB1 ASP 80 -18.986 7.245 5.425 627 H ASP 81 HN ASP 81 -20.695 6.487 5.746 628 HA ASP 81 HA ASP 81 -22.192 4.308 7.118 629 1HB ASP 81 HB2 ASP 81 -23.037 6.678 5.451 630 2HB ASP 81 HB1 ASP 81 -24.136 5.336 5.765 631 H ASP 82 HN ASP 82 -22.432 5.570 3.799 632 HA ASP 82 HA ASP 82 -22.137 2.756 2.838 633 1HB ASP 82 HB2 ASP 82 -23.473 3.394 0.919 634 2HB ASP 82 HB1 ASP 82 -24.324 3.922 2.371 635 H ARG 83 HN ARG 83 -20.592 5.752 2.987 636 HA ARG 83 HA ARG 83 -19.147 5.418 0.428 637 1HB ARG 83 HB2 ARG 83 -19.847 7.631 2.014 638 2HB ARG 83 HB1 ARG 83 -18.098 7.480 2.183 639 1HG ARG 83 HG2 ARG 83 -17.708 7.825 -0.077 640 2HG ARG 83 HG1 ARG 83 -19.297 7.220 -0.549 641 1HD ARG 83 HD2 ARG 83 -20.366 9.238 0.315 642 2HD ARG 83 HD1 ARG 83 -18.817 9.834 0.913 643 HE ARG 83 HE ARG 83 -18.360 9.447 -1.786 644 1HH1 ARG 83 HH21 ARG 83 -20.721 11.097 0.123 645 2HH1 ARG 83 HH22 ARG 83 -20.995 12.334 -1.056 646 1HH2 ARG 83 HH11 ARG 83 -18.708 11.058 -3.325 647 2HH2 ARG 83 HH12 ARG 83 -19.857 12.314 -3.005 648 H PHE 84 HN PHE 84 -16.625 6.407 1.292 649 HA PHE 84 HA PHE 84 -15.572 4.849 3.489 650 1HB PHE 84 HB2 PHE 84 -16.037 3.228 1.414 651 2HB PHE 84 HB1 PHE 84 -14.490 3.880 0.875 652 HD1 PHE 84 HD2 PHE 84 -12.588 3.950 2.704 653 HD2 PHE 84 HD1 PHE 84 -16.049 1.414 2.887 654 HE1 PHE 84 HE2 PHE 84 -11.403 2.447 4.280 655 HE2 PHE 84 HE1 PHE 84 -14.865 -0.089 4.464 656 HZ PHE 84 HZ PHE 84 -12.542 0.427 5.161 657 H VAL 85 HN VAL 85 -13.360 5.424 3.886 658 HA VAL 85 HA VAL 85 -12.185 7.344 1.929 659 HB VAL 85 HB VAL 85 -13.367 8.405 4.000 660 1HG1 VAL 85 HG13 VAL 85 -11.937 6.661 5.444 661 2HG1 VAL 85 HG12 VAL 85 -10.756 7.970 5.383 662 3HG1 VAL 85 HG11 VAL 85 -12.356 8.257 6.066 663 1HG2 VAL 85 HG23 VAL 85 -11.316 9.201 2.360 664 2HG2 VAL 85 HG22 VAL 85 -12.083 10.233 3.567 665 3HG2 VAL 85 HG21 VAL 85 -10.585 9.387 3.955 666 H LEU 86 HN LEU 86 -9.811 7.864 2.820 667 HA LEU 86 HA LEU 86 -8.374 5.935 4.310 668 1HB LEU 86 HB2 LEU 86 -9.237 4.654 2.146 669 2HB LEU 86 HB1 LEU 86 -7.890 5.478 1.379 670 HG LEU 86 HG LEU 86 -7.815 3.058 2.806 671 1HD1 LEU 86 HD12 LEU 86 -6.243 4.555 1.063 672 2HD1 LEU 86 HD11 LEU 86 -5.215 4.325 2.477 673 3HD1 LEU 86 HD13 LEU 86 -5.897 2.927 1.647 674 1HD2 LEU 86 HD23 LEU 86 -6.691 5.323 4.453 675 2HD2 LEU 86 HD22 LEU 86 -7.597 3.911 4.977 676 3HD2 LEU 86 HD21 LEU 86 -5.920 3.742 4.467 677 H GLU 87 HN GLU 87 -5.898 5.990 3.073 678 HA GLU 87 HA GLU 87 -5.481 8.903 2.569 679 1HB GLU 87 HB2 GLU 87 -4.223 7.080 4.501 680 2HB GLU 87 HB1 GLU 87 -3.069 8.022 3.553 681 1HG GLU 87 HG2 GLU 87 -3.790 10.031 4.408 682 2HG GLU 87 HG1 GLU 87 -5.447 9.466 4.615 683 H TRP 88 HN TRP 88 -2.776 8.774 1.885 684 HA TRP 88 HA TRP 88 -2.747 8.306 -0.823 685 1HB TRP 88 HB2 TRP 88 -0.718 9.187 -0.323 686 2HB TRP 88 HB1 TRP 88 -0.737 8.513 1.299 687 HD1 TRP 88 HD1 TRP 88 -0.194 5.730 1.340 688 HE1 TRP 88 HE1 TRP 88 1.677 4.500 0.060 689 HE3 TRP 88 HE3 TRP 88 0.776 9.158 -2.323 690 HZ2 TRP 88 HZ2 TRP 88 3.361 4.914 -2.215 691 HZ3 TRP 88 HZ3 TRP 88 2.517 8.714 -4.030 692 HH2 TRP 88 HH2 TRP 88 3.809 6.599 -3.981 693 H LYS 89 HN LYS 89 -2.042 6.514 -2.160 694 HA LYS 89 HA LYS 89 -2.607 3.866 -0.900 695 1HB LYS 89 HB2 LYS 89 -4.080 4.612 -2.799 696 2HB LYS 89 HB1 LYS 89 -2.657 4.598 -3.841 697 1HG LYS 89 HG2 LYS 89 -2.788 2.365 -4.095 698 2HG LYS 89 HG1 LYS 89 -2.839 2.124 -2.349 699 1HD LYS 89 HD2 LYS 89 -4.886 1.246 -3.378 700 2HD LYS 89 HD1 LYS 89 -5.266 2.638 -2.364 701 1HE LYS 89 HE2 LYS 89 -6.081 3.779 -4.126 702 2HE LYS 89 HE1 LYS 89 -4.606 3.495 -5.051 703 1HZ LYS 89 HZ2 LYS 89 -6.589 1.342 -4.706 704 2HZ LYS 89 HZ1 LYS 89 -6.813 2.526 -5.903 705 3HZ LYS 89 HZ3 LYS 89 -5.430 1.544 -5.933 706 H ASN 90 HN ASN 90 -1.171 2.119 -1.328 707 HA ASN 90 HA ASN 90 1.601 2.917 -1.743 708 1HB ASN 90 HB2 ASN 90 1.197 1.157 -0.159 709 2HB ASN 90 HB1 ASN 90 0.261 0.233 -1.335 710 1HD2 ASN 90 HD22 ASN 90 3.331 -1.521 -1.819 711 2HD2 ASN 90 HD21 ASN 90 1.806 -1.587 -1.078 No H/Q in entry = 711 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -2.727 13.537 10.190 2 2H MET 1 HT3 MET 1 -2.598 15.223 10.324 3 3H MET 1 HT2 MET 1 -2.682 14.264 11.724 4 HA MET 1 HA MET 1 -4.873 14.415 11.746 5 1HB MET 1 HB2 MET 1 -4.241 16.601 10.497 6 2HB MET 1 HB1 MET 1 -4.837 15.778 9.055 7 1HG MET 1 HG2 MET 1 -6.761 16.865 9.831 8 2HG MET 1 HG1 MET 1 -6.934 15.257 10.532 9 1HE MET 1 HE3 MET 1 -7.642 18.337 10.788 10 2HE MET 1 HE2 MET 1 -8.496 17.955 12.281 11 3HE MET 1 HE1 MET 1 -7.183 19.130 12.302 12 H SER 2 HN SER 2 -3.918 11.998 10.754 13 HA SER 2 HA SER 2 -4.609 10.104 9.555 14 1HB SER 2 HB2 SER 2 -7.124 11.753 9.735 15 2HB SER 2 HB1 SER 2 -7.113 10.232 8.848 16 HG SER 2 HG SER 2 -5.930 10.198 11.355 17 H SER 3 HN SER 3 -3.608 12.654 8.135 18 HA SER 3 HA SER 3 -4.787 12.152 5.441 19 1HB SER 3 HB2 SER 3 -3.418 14.254 4.871 20 2HB SER 3 HB1 SER 3 -4.823 14.471 5.911 21 HG SER 3 HG SER 3 -2.258 13.949 6.970 22 H LEU 4 HN LEU 4 -2.495 10.717 7.121 23 HA LEU 4 HA LEU 4 -0.648 10.630 4.789 24 1HB LEU 4 HB2 LEU 4 0.999 9.782 6.710 25 2HB LEU 4 HB1 LEU 4 0.801 11.498 6.364 26 HG LEU 4 HG LEU 4 -1.061 11.507 8.106 27 1HD1 LEU 4 HD11 LEU 4 -1.398 9.045 8.117 28 2HD1 LEU 4 HD13 LEU 4 0.210 8.844 8.812 29 3HD1 LEU 4 HD12 LEU 4 -1.051 9.667 9.730 30 1HD2 LEU 4 HD22 LEU 4 1.737 11.706 8.359 31 2HD2 LEU 4 HD21 LEU 4 0.528 12.341 9.475 32 3HD2 LEU 4 HD23 LEU 4 1.214 10.737 9.737 33 H VAL 5 HN VAL 5 0.772 8.377 5.194 34 HA VAL 5 HA VAL 5 -0.985 6.224 6.138 35 HB VAL 5 HB VAL 5 -1.972 6.217 4.077 36 1HG1 VAL 5 HG12 VAL 5 0.534 7.532 3.221 37 2HG1 VAL 5 HG11 VAL 5 -0.349 6.639 1.983 38 3HG1 VAL 5 HG13 VAL 5 -1.136 7.958 2.850 39 1HG2 VAL 5 HG22 VAL 5 0.549 4.647 3.538 40 2HG2 VAL 5 HG21 VAL 5 -0.929 4.022 4.269 41 3HG2 VAL 5 HG23 VAL 5 -0.927 4.533 2.582 42 H TYR 6 HN TYR 6 0.049 4.076 5.853 43 HA TYR 6 HA TYR 6 2.946 4.310 5.449 44 1HB TYR 6 HB2 TYR 6 3.078 4.266 7.760 45 2HB TYR 6 HB1 TYR 6 1.544 3.419 7.926 46 HD1 TYR 6 HD1 TYR 6 1.436 0.936 7.377 47 HD2 TYR 6 HD2 TYR 6 5.141 3.082 7.719 48 HE1 TYR 6 HE1 TYR 6 2.654 -1.205 7.650 49 HE2 TYR 6 HE2 TYR 6 6.357 0.940 7.992 50 HH TYR 6 HH TYR 6 5.595 -1.503 8.890 51 H ILE 7 HN ILE 7 3.920 2.381 4.643 52 HA ILE 7 HA ILE 7 2.305 -0.041 4.294 53 HB ILE 7 HB ILE 7 2.133 -0.002 1.927 54 1HG1 ILE 7 HG12 ILE 7 3.200 2.161 0.770 55 2HG1 ILE 7 HG11 ILE 7 4.284 2.067 2.158 56 1HG2 ILE 7 HG23 ILE 7 0.527 1.521 3.018 57 2HG2 ILE 7 HG22 ILE 7 1.676 2.849 2.850 58 3HG2 ILE 7 HG21 ILE 7 0.973 2.105 1.416 59 1HD1 ILE 7 HD13 ILE 7 3.968 -0.577 1.149 60 2HD1 ILE 7 HD12 ILE 7 4.311 0.475 -0.225 61 3HD1 ILE 7 HD11 ILE 7 5.424 0.417 1.142 62 H ALA 8 HN ALA 8 3.699 -1.801 4.032 63 HA ALA 8 HA ALA 8 6.574 -1.072 3.616 64 1HB ALA 8 HB3 ALA 8 5.269 -2.595 5.743 65 2HB ALA 8 HB2 ALA 8 6.607 -3.457 4.987 66 3HB ALA 8 HB1 ALA 8 6.872 -1.869 5.706 67 H PHE 9 HN PHE 9 7.790 -3.292 3.227 68 HA PHE 9 HA PHE 9 6.135 -5.034 1.549 69 1HB PHE 9 HB2 PHE 9 7.742 -3.079 0.349 70 2HB PHE 9 HB1 PHE 9 8.632 -4.601 0.173 71 HD1 PHE 9 HD1 PHE 9 5.139 -3.353 0.090 72 HD2 PHE 9 HD2 PHE 9 8.029 -6.064 -1.550 73 HE1 PHE 9 HE1 PHE 9 3.437 -4.196 -1.459 74 HE2 PHE 9 HE2 PHE 9 6.332 -6.900 -3.126 75 HZ PHE 9 HZ PHE 9 4.029 -5.962 -3.112 76 H GLN 10 HN GLN 10 7.762 -6.766 0.596 77 HA GLN 10 HA GLN 10 9.983 -7.590 2.231 78 1HB GLN 10 HB2 GLN 10 7.393 -7.894 3.420 79 2HB GLN 10 HB1 GLN 10 8.094 -9.487 3.164 80 1HG GLN 10 HG2 GLN 10 9.571 -7.198 4.465 81 2HG GLN 10 HG1 GLN 10 8.654 -8.392 5.378 82 1HE2 GLN 10 HE22 GLN 10 11.191 -10.729 3.471 83 2HE2 GLN 10 HE21 GLN 10 9.733 -10.179 2.839 84 H ASP 11 HN ASP 11 10.836 -8.455 0.304 85 HA ASP 11 HA ASP 11 9.294 -10.689 -0.947 86 1HB ASP 11 HB2 ASP 11 10.435 -8.528 -2.170 87 2HB ASP 11 HB1 ASP 11 11.735 -9.713 -2.298 88 H ASN 12 HN ASN 12 10.739 -12.506 -1.779 89 HA ASN 12 HA ASN 12 12.963 -13.004 0.158 90 1HB ASN 12 HB2 ASN 12 10.865 -14.335 0.609 91 2HB ASN 12 HB1 ASN 12 11.082 -15.096 -0.967 92 1HD2 ASN 12 HD22 ASN 12 13.760 -17.170 0.097 93 2HD2 ASN 12 HD21 ASN 12 12.887 -16.582 -1.234 94 H ASP 13 HN ASP 13 11.655 -14.505 -2.824 95 HA ASP 13 HA ASP 13 14.460 -14.773 -3.787 96 1HB ASP 13 HB2 ASP 13 12.770 -16.742 -3.678 97 2HB ASP 13 HB1 ASP 13 12.036 -15.998 -5.098 98 H ASN 14 HN ASN 14 11.345 -13.338 -4.592 99 HA ASN 14 HA ASN 14 12.361 -12.345 -7.180 100 1HB ASN 14 HB2 ASN 14 9.761 -11.580 -5.835 101 2HB ASN 14 HB1 ASN 14 10.153 -11.522 -7.554 102 1HD2 ASN 14 HD22 ASN 14 8.548 -14.869 -6.083 103 2HD2 ASN 14 HD21 ASN 14 8.533 -13.379 -5.270 104 H ALA 15 HN ALA 15 13.133 -11.511 -4.205 105 HA ALA 15 HA ALA 15 12.516 -8.757 -3.903 106 1HB ALA 15 HB2 ALA 15 14.518 -10.635 -2.815 107 2HB ALA 15 HB1 ALA 15 15.031 -8.948 -2.828 108 3HB ALA 15 HB3 ALA 15 13.553 -9.413 -1.985 109 H ARG 16 HN ARG 16 14.518 -10.358 -6.177 110 HA ARG 16 HA ARG 16 16.453 -8.324 -6.703 111 1HB ARG 16 HB2 ARG 16 16.802 -10.474 -7.693 112 2HB ARG 16 HB1 ARG 16 15.208 -10.460 -8.447 113 1HG ARG 16 HG2 ARG 16 16.791 -9.938 -10.176 114 2HG ARG 16 HG1 ARG 16 15.970 -8.434 -9.774 115 1HD ARG 16 HD2 ARG 16 17.858 -7.485 -8.967 116 2HD ARG 16 HD1 ARG 16 18.348 -8.949 -8.120 117 HE ARG 16 HE ARG 16 19.423 -8.040 -10.586 118 1HH1 ARG 16 HH21 ARG 16 18.115 -10.931 -9.202 119 2HH1 ARG 16 HH22 ARG 16 18.813 -11.962 -10.403 120 1HH2 ARG 16 HH11 ARG 16 20.339 -9.380 -12.134 121 2HH2 ARG 16 HH12 ARG 16 20.074 -11.090 -12.053 122 H TYR 17 HN TYR 17 13.478 -9.035 -8.578 123 HA TYR 17 HA TYR 17 13.549 -6.555 -10.007 124 1HB TYR 17 HB2 TYR 17 11.368 -8.555 -9.433 125 2HB TYR 17 HB1 TYR 17 11.029 -7.064 -10.313 126 HD1 TYR 17 HD2 TYR 17 12.997 -10.198 -10.334 127 HD2 TYR 17 HD1 TYR 17 11.820 -6.721 -12.563 128 HE1 TYR 17 HE2 TYR 17 13.913 -11.217 -12.402 129 HE2 TYR 17 HE1 TYR 17 12.736 -7.738 -14.632 130 HH TYR 17 HH TYR 17 13.662 -9.539 -15.540 131 H VAL 18 HN VAL 18 12.174 -7.500 -6.911 132 HA VAL 18 HA VAL 18 10.556 -5.201 -6.452 133 HB VAL 18 HB VAL 18 12.115 -6.963 -4.533 134 1HG1 VAL 18 HG12 VAL 18 11.558 -4.603 -3.697 135 2HG1 VAL 18 HG11 VAL 18 9.863 -5.072 -3.823 136 3HG1 VAL 18 HG13 VAL 18 10.939 -5.940 -2.728 137 1HG2 VAL 18 HG21 VAL 18 9.852 -7.471 -6.070 138 2HG2 VAL 18 HG23 VAL 18 10.329 -8.355 -4.620 139 3HG2 VAL 18 HG22 VAL 18 9.186 -7.018 -4.501 140 H VAL 19 HN VAL 19 14.009 -5.779 -6.182 141 HA VAL 19 HA VAL 19 14.566 -3.214 -4.901 142 HB VAL 19 HB VAL 19 16.421 -5.114 -6.375 143 1HG1 VAL 19 HG13 VAL 19 17.017 -2.584 -5.841 144 2HG1 VAL 19 HG12 VAL 19 17.273 -3.219 -4.216 145 3HG1 VAL 19 HG11 VAL 19 18.202 -3.862 -5.570 146 1HG2 VAL 19 HG23 VAL 19 15.016 -5.516 -3.985 147 2HG2 VAL 19 HG22 VAL 19 16.433 -6.415 -4.527 148 3HG2 VAL 19 HG21 VAL 19 16.628 -5.017 -3.471 149 H GLU 20 HN GLU 20 14.172 -4.463 -8.114 150 HA GLU 20 HA GLU 20 15.521 -2.394 -9.567 151 1HB GLU 20 HB2 GLU 20 14.912 -4.438 -10.703 152 2HB GLU 20 HB1 GLU 20 13.209 -4.207 -10.307 153 1HG GLU 20 HG2 GLU 20 13.843 -3.550 -12.671 154 2HG GLU 20 HG1 GLU 20 13.057 -2.277 -11.738 155 H ALA 21 HN ALA 21 12.046 -2.836 -8.803 156 HA ALA 21 HA ALA 21 11.311 -0.214 -9.756 157 1HB ALA 21 HB2 ALA 21 10.006 -2.455 -8.367 158 2HB ALA 21 HB1 ALA 21 9.390 -0.874 -7.883 159 3HB ALA 21 HB3 ALA 21 9.353 -1.354 -9.580 160 H ILE 22 HN ILE 22 12.035 -1.545 -6.538 161 HA ILE 22 HA ILE 22 11.545 0.766 -4.992 162 HB ILE 22 HB ILE 22 13.261 -1.655 -4.719 163 1HG1 ILE 22 HG12 ILE 22 12.077 -1.699 -2.504 164 2HG1 ILE 22 HG11 ILE 22 11.273 -0.196 -2.954 165 1HG2 ILE 22 HG21 ILE 22 13.894 0.958 -3.430 166 2HG2 ILE 22 HG23 ILE 22 13.933 -0.471 -2.397 167 3HG2 ILE 22 HG22 ILE 22 14.963 -0.388 -3.826 168 1HD1 ILE 22 HD12 ILE 22 10.845 -1.810 -5.162 169 2HD1 ILE 22 HD11 ILE 22 10.712 -2.939 -3.816 170 3HD1 ILE 22 HD13 ILE 22 9.680 -1.511 -3.874 171 H ILE 23 HN ILE 23 14.218 -0.045 -7.125 172 HA ILE 23 HA ILE 23 15.951 2.097 -6.241 173 HB ILE 23 HB ILE 23 15.834 0.344 -8.695 174 1HG1 ILE 23 HG12 ILE 23 18.141 0.782 -6.805 175 2HG1 ILE 23 HG11 ILE 23 16.809 -0.285 -6.358 176 1HG2 ILE 23 HG23 ILE 23 17.379 2.883 -8.292 177 2HG2 ILE 23 HG22 ILE 23 18.155 1.543 -9.135 178 3HG2 ILE 23 HG21 ILE 23 16.661 2.235 -9.766 179 1HD1 ILE 23 HD12 ILE 23 17.423 -1.020 -8.982 180 2HD1 ILE 23 HD11 ILE 23 18.994 -0.752 -8.228 181 3HD1 ILE 23 HD13 ILE 23 17.862 -1.906 -7.522 182 H GLN 24 HN GLN 24 13.541 1.772 -8.846 183 HA GLN 24 HA GLN 24 13.939 4.614 -9.574 184 1HB GLN 24 HB2 GLN 24 12.933 2.274 -10.902 185 2HB GLN 24 HB1 GLN 24 11.676 3.511 -10.904 186 1HG GLN 24 HG2 GLN 24 14.029 4.911 -11.474 187 2HG GLN 24 HG1 GLN 24 14.165 3.421 -12.410 188 1HE2 GLN 24 HE22 GLN 24 10.862 4.197 -14.004 189 2HE2 GLN 24 HE21 GLN 24 11.441 2.939 -13.023 190 H ASP 25 HN ASP 25 12.413 3.152 -7.110 191 HA ASP 25 HA ASP 25 10.128 5.086 -7.175 192 1HB ASP 25 HB2 ASP 25 10.227 2.239 -6.572 193 2HB ASP 25 HB1 ASP 25 9.571 3.160 -5.221 194 H ASN 26 HN ASN 26 13.033 4.198 -5.660 195 HA ASN 26 HA ASN 26 12.325 5.269 -3.018 196 1HB ASN 26 HB2 ASN 26 14.746 4.033 -4.254 197 2HB ASN 26 HB1 ASN 26 14.955 5.017 -2.807 198 1HD2 ASN 26 HD22 ASN 26 12.298 1.942 -2.252 199 2HD2 ASN 26 HD21 ASN 26 12.092 3.007 -3.558 200 HA PRO 27 HA PRO 27 15.714 8.556 -4.316 201 1HB PRO 27 HB2 PRO 27 15.357 8.868 -7.147 202 2HB PRO 27 HB1 PRO 27 16.841 8.453 -6.279 203 1HG PRO 27 HG2 PRO 27 15.227 6.731 -7.918 204 2HG PRO 27 HG1 PRO 27 16.702 6.317 -7.034 205 1HD PRO 27 HD2 PRO 27 13.992 5.561 -6.412 206 2HD PRO 27 HD1 PRO 27 15.475 5.124 -5.545 207 H HIS 28 HN HIS 28 12.654 7.813 -5.872 208 HA HIS 28 HA HIS 28 11.889 10.686 -5.830 209 1HB HIS 28 HB2 HIS 28 11.421 8.812 -7.723 210 2HB HIS 28 HB1 HIS 28 9.965 8.615 -6.748 211 HD1 HIS 28 HD1 HIS 28 9.210 9.702 -9.314 212 HD2 HIS 28 HD2 HIS 28 10.744 12.232 -6.378 213 HE1 HIS 28 HE1 HIS 28 8.476 12.046 -9.934 214 H ALA 29 HN ALA 29 11.102 7.572 -4.345 215 HA ALA 29 HA ALA 29 9.005 8.921 -2.710 216 1HB ALA 29 HB2 ALA 29 8.769 6.596 -3.972 217 2HB ALA 29 HB1 ALA 29 9.552 5.986 -2.514 218 3HB ALA 29 HB3 ALA 29 8.020 6.851 -2.395 219 H VAL 30 HN VAL 30 8.951 7.898 -0.359 220 HA VAL 30 HA VAL 30 11.685 8.291 0.757 221 HB VAL 30 HB VAL 30 9.202 8.142 2.439 222 1HG1 VAL 30 HG12 VAL 30 11.976 9.130 2.627 223 2HG1 VAL 30 HG11 VAL 30 10.768 10.227 3.295 224 3HG1 VAL 30 HG13 VAL 30 10.891 8.576 3.902 225 1HG2 VAL 30 HG23 VAL 30 10.077 10.477 0.713 226 2HG2 VAL 30 HG22 VAL 30 8.525 9.641 0.662 227 3HG2 VAL 30 HG21 VAL 30 8.950 10.627 2.061 228 H VAL 31 HN VAL 31 12.263 6.840 2.631 229 HA VAL 31 HA VAL 31 10.817 4.370 3.035 230 HB VAL 31 HB VAL 31 11.611 3.723 0.888 231 1HG1 VAL 31 HG11 VAL 31 13.783 5.491 1.570 232 2HG1 VAL 31 HG13 VAL 31 14.427 3.940 1.034 233 3HG1 VAL 31 HG12 VAL 31 13.337 4.851 -0.012 234 1HG2 VAL 31 HG21 VAL 31 11.993 2.059 2.718 235 2HG2 VAL 31 HG23 VAL 31 13.141 1.889 1.390 236 3HG2 VAL 31 HG22 VAL 31 13.636 2.676 2.888 237 H GLN 32 HN GLN 32 12.152 2.839 4.409 238 HA GLN 32 HA GLN 32 14.618 3.731 5.606 239 1HB GLN 32 HB2 GLN 32 13.689 4.262 7.866 240 2HB GLN 32 HB1 GLN 32 13.211 5.434 6.637 241 1HG GLN 32 HG2 GLN 32 11.210 3.551 6.448 242 2HG GLN 32 HG1 GLN 32 11.553 3.556 8.178 243 1HE2 GLN 32 HE22 GLN 32 10.420 6.916 8.659 244 2HE2 GLN 32 HE21 GLN 32 11.413 5.700 9.305 245 H HIS 33 HN HIS 33 14.438 1.326 4.747 246 HA HIS 33 HA HIS 33 13.329 -0.455 6.852 247 1HB HIS 33 HB2 HIS 33 13.482 -2.210 5.226 248 2HB HIS 33 HB1 HIS 33 12.811 -0.814 4.389 249 HD1 HIS 33 HD1 HIS 33 15.948 -2.869 4.683 250 HD2 HIS 33 HD2 HIS 33 14.522 0.342 2.440 251 HE1 HIS 33 HE1 HIS 33 17.612 -2.511 2.808 252 H HIS 34 HN HIS 34 14.847 -2.560 7.023 253 HA HIS 34 HA HIS 34 17.708 -1.938 6.928 254 1HB HIS 34 HB2 HIS 34 16.175 -1.520 9.348 255 2HB HIS 34 HB1 HIS 34 17.382 -2.782 9.592 256 HD1 HIS 34 HD1 HIS 34 17.063 0.848 8.595 257 HD2 HIS 34 HD2 HIS 34 20.054 -1.884 9.581 258 HE1 HIS 34 HE1 HIS 34 19.202 2.183 8.830 259 HA PRO 35 HA PRO 35 17.206 -6.419 8.351 260 1HB PRO 35 HB2 PRO 35 14.483 -7.192 8.725 261 2HB PRO 35 HB1 PRO 35 15.745 -7.079 9.959 262 1HG PRO 35 HG2 PRO 35 13.478 -5.323 9.554 263 2HG PRO 35 HG1 PRO 35 14.684 -5.277 10.847 264 1HD PRO 35 HD2 PRO 35 14.430 -3.473 8.634 265 2HD PRO 35 HD1 PRO 35 15.674 -3.477 9.897 266 H ALA 36 HN ALA 36 15.619 -8.429 7.361 267 HA ALA 36 HA ALA 36 15.842 -8.137 4.530 268 1HB ALA 36 HB3 ALA 36 15.778 -10.334 5.733 269 2HB ALA 36 HB2 ALA 36 14.063 -10.071 6.050 270 3HB ALA 36 HB1 ALA 36 14.635 -10.255 4.392 271 H MET 37 HN MET 37 13.477 -7.032 6.737 272 HA MET 37 HA MET 37 11.281 -6.996 4.811 273 1HB MET 37 HB2 MET 37 11.590 -5.667 7.519 274 2HB MET 37 HB1 MET 37 10.100 -5.685 6.574 275 1HG MET 37 HG2 MET 37 10.080 -8.151 6.646 276 2HG MET 37 HG1 MET 37 11.571 -8.137 7.588 277 1HE MET 37 HE1 MET 37 8.118 -7.035 7.119 278 2HE MET 37 HE3 MET 37 7.703 -8.454 8.091 279 3HE MET 37 HE2 MET 37 7.374 -6.835 8.703 280 H ILE 38 HN ILE 38 10.728 -5.296 3.466 281 HA ILE 38 HA ILE 38 12.470 -2.863 3.678 282 HB ILE 38 HB ILE 38 12.256 -2.651 1.271 283 1HG1 ILE 38 HG12 ILE 38 10.039 -4.571 1.756 284 2HG1 ILE 38 HG11 ILE 38 10.163 -3.283 0.563 285 1HG2 ILE 38 HG21 ILE 38 13.915 -4.286 2.231 286 2HG2 ILE 38 HG23 ILE 38 12.731 -5.568 1.980 287 3HG2 ILE 38 HG22 ILE 38 13.397 -4.700 0.597 288 1HD1 ILE 38 HD13 ILE 38 11.816 -4.748 -0.693 289 2HD1 ILE 38 HD12 ILE 38 11.391 -6.049 0.419 290 3HD1 ILE 38 HD11 ILE 38 10.164 -5.364 -0.646 291 H ARG 39 HN ARG 39 10.923 -1.950 5.205 292 HA ARG 39 HA ARG 39 8.157 -1.537 4.419 293 1HB ARG 39 HB2 ARG 39 9.551 0.008 6.589 294 2HB ARG 39 HB1 ARG 39 7.878 -0.547 6.529 295 1HG ARG 39 HG2 ARG 39 9.493 -2.863 6.308 296 2HG ARG 39 HG1 ARG 39 10.184 -1.897 7.611 297 1HD ARG 39 HD2 ARG 39 7.329 -1.838 7.835 298 2HD ARG 39 HD1 ARG 39 7.843 -3.516 7.687 299 HE ARG 39 HE ARG 39 8.086 -1.951 10.028 300 1HH1 ARG 39 HH21 ARG 39 10.081 -3.951 8.018 301 2HH1 ARG 39 HH22 ARG 39 11.295 -4.157 9.231 302 1HH2 ARG 39 HH11 ARG 39 9.650 -2.250 11.605 303 2HH2 ARG 39 HH12 ARG 39 11.050 -3.210 11.256 304 H ILE 40 HN ILE 40 7.199 0.721 4.412 305 HA ILE 40 HA ILE 40 9.017 2.851 3.475 306 HB ILE 40 HB ILE 40 6.758 1.743 1.774 307 1HG1 ILE 40 HG12 ILE 40 9.728 2.003 1.208 308 2HG1 ILE 40 HG11 ILE 40 8.938 0.504 1.700 309 1HG2 ILE 40 HG23 ILE 40 6.859 4.222 1.743 310 2HG2 ILE 40 HG22 ILE 40 8.568 4.136 1.314 311 3HG2 ILE 40 HG21 ILE 40 7.346 3.532 0.194 312 1HD1 ILE 40 HD13 ILE 40 7.358 0.893 -0.300 313 2HD1 ILE 40 HD12 ILE 40 8.547 2.075 -0.848 314 3HD1 ILE 40 HD11 ILE 40 9.006 0.382 -0.666 315 H GLU 41 HN GLU 41 7.931 4.955 3.523 316 HA GLU 41 HA GLU 41 5.290 4.910 4.931 317 1HB GLU 41 HB2 GLU 41 7.336 5.368 6.432 318 2HB GLU 41 HB1 GLU 41 7.466 6.905 5.576 319 1HG GLU 41 HG2 GLU 41 5.658 7.780 6.632 320 2HG GLU 41 HG1 GLU 41 4.739 6.281 6.492 321 H ALA 42 HN ALA 42 3.908 6.648 4.413 322 HA ALA 42 HA ALA 42 4.892 8.664 2.473 323 1HB ALA 42 HB2 ALA 42 3.840 6.568 1.323 324 2HB ALA 42 HB1 ALA 42 2.310 7.212 1.919 325 3HB ALA 42 HB3 ALA 42 3.298 8.167 0.814 326 H GLU 43 HN GLU 43 2.578 9.975 1.933 327 HA GLU 43 HA GLU 43 0.965 10.265 4.344 328 1HB GLU 43 HB2 GLU 43 2.831 12.491 3.483 329 2HB GLU 43 HB1 GLU 43 1.582 12.636 4.720 330 1HG GLU 43 HG2 GLU 43 2.696 10.772 5.978 331 2HG GLU 43 HG1 GLU 43 4.002 10.814 4.792 332 H LYS 44 HN LYS 44 -0.935 10.108 3.046 333 HA LYS 44 HA LYS 44 -1.593 12.495 1.505 334 1HB LYS 44 HB2 LYS 44 -0.217 10.614 0.097 335 2HB LYS 44 HB1 LYS 44 -1.874 10.086 -0.184 336 1HG LYS 44 HG2 LYS 44 -2.326 11.861 -1.518 337 2HG LYS 44 HG1 LYS 44 -1.546 12.992 -0.412 338 1HD LYS 44 HD2 LYS 44 0.227 11.133 -1.925 339 2HD LYS 44 HD1 LYS 44 -0.525 12.445 -2.833 340 1HE LYS 44 HE2 LYS 44 0.672 13.172 -0.210 341 2HE LYS 44 HE1 LYS 44 1.800 12.752 -1.500 342 1HZ LYS 44 HZ1 LYS 44 -0.178 14.393 -2.586 343 2HZ LYS 44 HZ3 LYS 44 0.355 15.130 -1.153 344 3HZ LYS 44 HZ2 LYS 44 1.472 14.742 -2.374 345 H ARG 45 HN ARG 45 -3.556 10.868 -0.112 346 HA ARG 45 HA ARG 45 -5.356 9.662 1.826 347 1HB ARG 45 HB2 ARG 45 -7.167 11.361 1.408 348 2HB ARG 45 HB1 ARG 45 -5.816 11.959 2.371 349 1HG ARG 45 HG2 ARG 45 -4.841 12.668 0.029 350 2HG ARG 45 HG1 ARG 45 -6.528 12.576 -0.477 351 1HD ARG 45 HD2 ARG 45 -6.283 13.952 2.061 352 2HD ARG 45 HD1 ARG 45 -5.282 14.728 0.835 353 HE ARG 45 HE ARG 45 -8.092 14.977 1.025 354 1HH1 ARG 45 HH21 ARG 45 -5.705 14.179 -1.358 355 2HH1 ARG 45 HH22 ARG 45 -6.771 14.464 -2.688 356 1HH2 ARG 45 HH11 ARG 45 -9.461 15.369 -0.709 357 2HH2 ARG 45 HH12 ARG 45 -8.883 15.142 -2.326 358 H LEU 46 HN LEU 46 -7.334 8.835 0.724 359 HA LEU 46 HA LEU 46 -7.061 8.765 -2.254 360 1HB LEU 46 HB2 LEU 46 -7.047 6.561 -0.397 361 2HB LEU 46 HB1 LEU 46 -8.446 6.448 -1.450 362 HG LEU 46 HG LEU 46 -5.589 6.800 -2.388 363 1HD1 LEU 46 HD12 LEU 46 -7.469 4.428 -2.559 364 2HD1 LEU 46 HD11 LEU 46 -5.857 4.512 -3.271 365 3HD1 LEU 46 HD13 LEU 46 -6.049 4.538 -1.518 366 1HD2 LEU 46 HD21 LEU 46 -7.704 7.755 -3.684 367 2HD2 LEU 46 HD23 LEU 46 -6.390 6.958 -4.546 368 3HD2 LEU 46 HD22 LEU 46 -7.866 6.069 -4.173 369 H GLU 47 HN GLU 47 -9.397 7.609 -2.965 370 HA GLU 47 HA GLU 47 -11.685 8.263 -1.414 371 1HB GLU 47 HB2 GLU 47 -12.397 10.239 -2.981 372 2HB GLU 47 HB1 GLU 47 -11.310 10.569 -1.632 373 1HG GLU 47 HG2 GLU 47 -9.395 10.608 -3.046 374 2HG GLU 47 HG1 GLU 47 -10.278 9.876 -4.387 375 H ILE 48 HN ILE 48 -13.538 7.437 -2.447 376 HA ILE 48 HA ILE 48 -13.590 7.033 -5.344 377 HB ILE 48 HB ILE 48 -14.055 4.420 -4.210 378 1HG1 ILE 48 HG12 ILE 48 -11.201 5.368 -3.886 379 2HG1 ILE 48 HG11 ILE 48 -12.339 5.366 -2.538 380 1HG2 ILE 48 HG21 ILE 48 -12.207 5.637 -6.261 381 2HG2 ILE 48 HG23 ILE 48 -12.138 3.919 -5.869 382 3HG2 ILE 48 HG22 ILE 48 -13.621 4.616 -6.523 383 1HD1 ILE 48 HD11 ILE 48 -12.726 2.859 -3.557 384 2HD1 ILE 48 HD13 ILE 48 -11.009 3.097 -3.881 385 3HD1 ILE 48 HD12 ILE 48 -11.622 3.228 -2.232 386 H ARG 49 HN ARG 49 -15.539 4.993 -5.380 387 HA ARG 49 HA ARG 49 -17.820 6.455 -4.144 388 1HB ARG 49 HB2 ARG 49 -17.726 4.348 -6.328 389 2HB ARG 49 HB1 ARG 49 -19.204 5.099 -5.723 390 1HG ARG 49 HG2 ARG 49 -18.533 7.261 -6.507 391 2HG ARG 49 HG1 ARG 49 -16.892 6.702 -6.837 392 1HD ARG 49 HD2 ARG 49 -18.704 5.004 -8.241 393 2HD ARG 49 HD1 ARG 49 -19.152 6.672 -8.588 394 HE ARG 49 HE ARG 49 -16.934 5.321 -9.710 395 1HH1 ARG 49 HH21 ARG 49 -17.616 8.297 -8.067 396 2HH1 ARG 49 HH22 ARG 49 -16.158 9.059 -8.600 397 1HH2 ARG 49 HH11 ARG 49 -15.057 6.324 -10.414 398 2HH2 ARG 49 HH12 ARG 49 -14.720 7.953 -9.931 399 H ARG 50 HN ARG 50 -19.701 4.462 -3.949 400 HA ARG 50 HA ARG 50 -18.634 2.893 -1.686 401 1HB ARG 50 HB2 ARG 50 -20.771 3.925 -1.282 402 2HB ARG 50 HB1 ARG 50 -21.429 3.285 -2.789 403 1HG ARG 50 HG2 ARG 50 -21.233 1.000 -1.947 404 2HG ARG 50 HG1 ARG 50 -20.477 1.587 -0.465 405 1HD ARG 50 HD2 ARG 50 -22.527 1.792 0.436 406 2HD ARG 50 HD1 ARG 50 -22.874 3.054 -0.748 407 HE ARG 50 HE ARG 50 -23.337 0.717 -2.147 408 1HH1 ARG 50 HH21 ARG 50 -24.355 2.039 0.879 409 2HH1 ARG 50 HH22 ARG 50 -25.902 1.261 0.843 410 1HH2 ARG 50 HH11 ARG 50 -25.347 -0.301 -2.200 411 2HH2 ARG 50 HH12 ARG 50 -26.463 -0.061 -0.897 412 H GLU 51 HN GLU 51 -20.270 2.307 -4.803 413 HA GLU 51 HA GLU 51 -20.395 -0.485 -4.765 414 1HB GLU 51 HB2 GLU 51 -21.113 1.181 -6.619 415 2HB GLU 51 HB1 GLU 51 -19.465 0.995 -7.221 416 1HG GLU 51 HG2 GLU 51 -19.752 -1.380 -7.500 417 2HG GLU 51 HG1 GLU 51 -21.306 -1.345 -6.667 418 H THR 52 HN THR 52 -17.586 1.592 -5.233 419 HA THR 52 HA THR 52 -15.821 -0.529 -6.101 420 HB THR 52 HB THR 52 -14.813 1.876 -4.624 421 HG1 THR 52 HG1 THR 52 -15.334 2.245 -7.295 422 1HG2 THR 52 HG23 THR 52 -13.934 0.048 -6.810 423 2HG2 THR 52 HG22 THR 52 -13.364 1.716 -6.863 424 3HG2 THR 52 HG21 THR 52 -13.013 0.709 -5.459 425 H VAL 53 HN VAL 53 -16.303 1.093 -2.936 426 HA VAL 53 HA VAL 53 -14.481 -0.385 -1.410 427 HB VAL 53 HB VAL 53 -17.300 0.450 -0.642 428 1HG1 VAL 53 HG11 VAL 53 -14.925 -0.433 1.021 429 2HG1 VAL 53 HG13 VAL 53 -16.344 0.373 1.690 430 3HG1 VAL 53 HG12 VAL 53 -16.506 -1.210 0.928 431 1HG2 VAL 53 HG21 VAL 53 -14.674 1.831 -0.841 432 2HG2 VAL 53 HG23 VAL 53 -16.304 2.486 -1.003 433 3HG2 VAL 53 HG22 VAL 53 -15.630 2.182 0.599 434 H GLU 54 HN GLU 54 -17.481 -1.360 -2.880 435 HA GLU 54 HA GLU 54 -17.740 -3.867 -1.428 436 1HB GLU 54 HB2 GLU 54 -19.759 -3.062 -2.376 437 2HB GLU 54 HB1 GLU 54 -18.993 -2.716 -3.926 438 1HG GLU 54 HG2 GLU 54 -20.328 -4.723 -4.170 439 2HG GLU 54 HG1 GLU 54 -18.627 -5.182 -4.225 440 H GLU 55 HN GLU 55 -16.479 -2.890 -4.618 441 HA GLU 55 HA GLU 55 -15.785 -5.443 -5.599 442 1HB GLU 55 HB2 GLU 55 -14.344 -2.792 -5.923 443 2HB GLU 55 HB1 GLU 55 -14.003 -4.232 -6.883 444 1HG GLU 55 HG2 GLU 55 -16.676 -2.808 -6.721 445 2HG GLU 55 HG1 GLU 55 -15.556 -2.742 -8.082 446 H ASN 56 HN ASN 56 -13.882 -3.224 -3.549 447 HA ASN 56 HA ASN 56 -11.595 -4.902 -3.284 448 1HB ASN 56 HB2 ASN 56 -12.197 -2.405 -2.429 449 2HB ASN 56 HB1 ASN 56 -12.418 -3.295 -0.922 450 1HD2 ASN 56 HD22 ASN 56 -8.847 -4.576 -1.645 451 2HD2 ASN 56 HD21 ASN 56 -10.336 -5.339 -1.932 452 H LEU 57 HN LEU 57 -14.667 -4.778 -1.527 453 HA LEU 57 HA LEU 57 -14.017 -6.552 0.591 454 1HB LEU 57 HB2 LEU 57 -16.109 -5.338 0.627 455 2HB LEU 57 HB1 LEU 57 -16.629 -6.095 -0.879 456 HG LEU 57 HG LEU 57 -16.283 -8.335 0.467 457 1HD1 LEU 57 HD11 LEU 57 -15.341 -6.877 2.416 458 2HD1 LEU 57 HD13 LEU 57 -17.036 -6.531 2.756 459 3HD1 LEU 57 HD12 LEU 57 -16.449 -8.193 2.804 460 1HD2 LEU 57 HD23 LEU 57 -18.446 -6.890 -0.290 461 2HD2 LEU 57 HD22 LEU 57 -18.567 -8.403 0.608 462 3HD2 LEU 57 HD21 LEU 57 -18.663 -6.861 1.460 463 H GLY 58 HN GLY 58 -15.593 -7.339 -2.535 464 1HA GLY 58 HA2 GLY 58 -15.389 -10.185 -2.142 465 2HA GLY 58 HA1 GLY 58 -15.709 -9.386 -3.683 466 H ARG 59 HN ARG 59 -13.063 -7.823 -2.867 467 HA ARG 59 HA ARG 59 -11.254 -9.897 -4.041 468 1HB ARG 59 HB2 ARG 59 -11.895 -7.473 -5.124 469 2HB ARG 59 HB1 ARG 59 -10.451 -7.057 -4.201 470 1HG ARG 59 HG2 ARG 59 -9.177 -8.810 -5.311 471 2HG ARG 59 HG1 ARG 59 -10.622 -9.373 -6.150 472 1HD ARG 59 HD2 ARG 59 -10.774 -7.335 -7.420 473 2HD ARG 59 HD1 ARG 59 -9.520 -6.569 -6.445 474 HE ARG 59 HE ARG 59 -8.270 -8.803 -7.511 475 1HH1 ARG 59 HH21 ARG 59 -10.058 -6.109 -8.723 476 2HH1 ARG 59 HH22 ARG 59 -9.223 -6.072 -10.239 477 1HH2 ARG 59 HH11 ARG 59 -7.176 -8.766 -9.487 478 2HH2 ARG 59 HH12 ARG 59 -7.595 -7.575 -10.672 479 H ALA 60 HN ALA 60 -11.967 -8.642 -1.153 480 HA ALA 60 HA ALA 60 -9.407 -7.718 -0.186 481 1HB ALA 60 HB3 ALA 60 -12.042 -7.999 0.846 482 2HB ALA 60 HB2 ALA 60 -10.971 -8.904 1.916 483 3HB ALA 60 HB1 ALA 60 -10.668 -7.194 1.605 484 H TRP 61 HN TRP 61 -10.920 -10.862 -0.536 485 HA TRP 61 HA TRP 61 -8.774 -12.177 1.010 486 1HB TRP 61 HB2 TRP 61 -11.268 -12.882 0.977 487 2HB TRP 61 HB1 TRP 61 -10.899 -13.584 -0.599 488 HD1 TRP 61 HD1 TRP 61 -8.383 -13.536 2.274 489 HE1 TRP 61 HE1 TRP 61 -7.883 -15.965 2.979 490 HE3 TRP 61 HE3 TRP 61 -11.831 -16.004 -0.571 491 HZ2 TRP 61 HZ2 TRP 61 -8.822 -18.608 2.408 492 HZ3 TRP 61 HZ3 TRP 61 -12.008 -18.474 -0.471 493 HH2 TRP 61 HH2 TRP 61 -10.509 -19.777 1.013 494 H ASP 62 HN ASP 62 -7.946 -10.743 -1.331 495 HA ASP 62 HA ASP 62 -7.329 -12.925 -3.264 496 1HB ASP 62 HB2 ASP 62 -8.246 -10.968 -4.331 497 2HB ASP 62 HB1 ASP 62 -7.126 -9.913 -3.470 498 H VAL 63 HN VAL 63 -5.382 -10.040 -2.683 499 HA VAL 63 HA VAL 63 -3.055 -11.821 -2.179 500 HB VAL 63 HB VAL 63 -2.773 -8.856 -2.437 501 1HG1 VAL 63 HG11 VAL 63 -1.072 -11.068 -2.377 502 2HG1 VAL 63 HG13 VAL 63 -1.116 -10.606 -4.079 503 3HG1 VAL 63 HG12 VAL 63 -0.631 -9.430 -2.858 504 1HG2 VAL 63 HG22 VAL 63 -3.855 -10.697 -4.526 505 2HG2 VAL 63 HG21 VAL 63 -4.153 -8.976 -4.285 506 3HG2 VAL 63 HG23 VAL 63 -2.650 -9.514 -5.034 507 H GLN 64 HN GLN 64 -5.333 -10.298 -0.358 508 HA GLN 64 HA GLN 64 -3.976 -8.815 1.597 509 1HB GLN 64 HB2 GLN 64 -6.449 -10.465 1.547 510 2HB GLN 64 HB1 GLN 64 -5.786 -10.094 3.140 511 1HG GLN 64 HG2 GLN 64 -7.443 -8.389 2.260 512 2HG GLN 64 HG1 GLN 64 -5.872 -7.727 2.711 513 1HE2 GLN 64 HE22 GLN 64 -4.972 -6.870 -0.627 514 2HE2 GLN 64 HE21 GLN 64 -4.395 -7.102 0.953 515 H GLU 65 HN GLU 65 -3.955 -12.273 1.034 516 HA GLU 65 HA GLU 65 -2.934 -13.091 3.588 517 1HB GLU 65 HB2 GLU 65 -2.583 -14.299 0.827 518 2HB GLU 65 HB1 GLU 65 -2.078 -15.089 2.321 519 1HG GLU 65 HG2 GLU 65 -4.322 -15.231 3.121 520 2HG GLU 65 HG1 GLU 65 -4.908 -14.124 1.879 521 H MET 66 HN MET 66 -1.336 -12.095 0.574 522 HA MET 66 HA MET 66 1.350 -12.498 1.486 523 1HB MET 66 HB2 MET 66 0.010 -11.318 -0.805 524 2HB MET 66 HB1 MET 66 1.394 -10.345 -0.307 525 1HG MET 66 HG2 MET 66 1.723 -13.318 -0.451 526 2HG MET 66 HG1 MET 66 1.709 -12.401 -1.958 527 1HE MET 66 HE3 MET 66 4.113 -13.982 -1.566 528 2HE MET 66 HE2 MET 66 5.404 -13.430 -0.502 529 3HE MET 66 HE1 MET 66 3.922 -14.085 0.190 530 H LEU 67 HN LEU 67 -1.004 -10.280 2.467 531 HA LEU 67 HA LEU 67 0.391 -7.887 2.926 532 1HB LEU 67 HB2 LEU 67 -1.955 -7.968 3.406 533 2HB LEU 67 HB1 LEU 67 -1.737 -9.281 4.563 534 HG LEU 67 HG LEU 67 -0.167 -6.828 5.108 535 1HD1 LEU 67 HD13 LEU 67 -3.188 -6.929 5.354 536 2HD1 LEU 67 HD12 LEU 67 -2.168 -5.728 6.145 537 3HD1 LEU 67 HD11 LEU 67 -2.248 -5.796 4.384 538 1HD2 LEU 67 HD21 LEU 67 -0.690 -9.111 6.460 539 2HD2 LEU 67 HD23 LEU 67 -0.329 -7.587 7.271 540 3HD2 LEU 67 HD22 LEU 67 -2.003 -8.105 7.072 541 H VAL 68 HN VAL 68 0.915 -10.986 4.349 542 HA VAL 68 HA VAL 68 2.222 -9.950 6.758 543 HB VAL 68 HB VAL 68 2.268 -12.735 5.566 544 1HG1 VAL 68 HG12 VAL 68 3.641 -11.521 7.780 545 2HG1 VAL 68 HG11 VAL 68 2.494 -12.711 8.396 546 3HG1 VAL 68 HG13 VAL 68 3.719 -13.192 7.222 547 1HG2 VAL 68 HG21 VAL 68 -0.010 -11.703 6.187 548 2HG2 VAL 68 HG23 VAL 68 0.395 -13.248 6.936 549 3HG2 VAL 68 HG22 VAL 68 0.558 -11.751 7.856 550 H ASP 69 HN ASP 69 3.205 -11.160 3.582 551 HA ASP 69 HA ASP 69 6.075 -10.823 4.296 552 1HB ASP 69 HB2 ASP 69 4.748 -11.841 1.789 553 2HB ASP 69 HB1 ASP 69 6.480 -11.796 2.084 554 H VAL 70 HN VAL 70 5.802 -10.553 1.061 555 HA VAL 70 HA VAL 70 6.937 -8.183 0.821 556 HB VAL 70 HB VAL 70 6.206 -10.208 -0.822 557 1HG1 VAL 70 HG11 VAL 70 4.663 -7.739 -1.593 558 2HG1 VAL 70 HG13 VAL 70 5.199 -8.900 -2.800 559 3HG1 VAL 70 HG12 VAL 70 4.107 -9.403 -1.511 560 1HG2 VAL 70 HG21 VAL 70 7.795 -7.764 -0.942 561 2HG2 VAL 70 HG23 VAL 70 8.175 -9.379 -1.519 562 3HG2 VAL 70 HG22 VAL 70 7.239 -8.290 -2.528 563 H ILE 71 HN ILE 71 3.799 -8.284 1.915 564 HA ILE 71 HA ILE 71 3.543 -5.503 0.875 565 HB ILE 71 HB ILE 71 0.933 -6.718 1.252 566 1HG1 ILE 71 HG12 ILE 71 2.836 -7.954 -0.769 567 2HG1 ILE 71 HG11 ILE 71 1.997 -8.793 0.537 568 1HG2 ILE 71 HG23 ILE 71 2.140 -4.686 -0.190 569 2HG2 ILE 71 HG22 ILE 71 1.781 -5.888 -1.429 570 3HG2 ILE 71 HG21 ILE 71 0.485 -5.253 -0.415 571 1HD1 ILE 71 HD13 ILE 71 0.120 -7.307 -1.101 572 2HD1 ILE 71 HD12 ILE 71 1.066 -8.422 -2.088 573 3HD1 ILE 71 HD11 ILE 71 0.138 -9.027 -0.715 574 H THR 72 HN THR 72 2.693 -3.972 2.204 575 HA THR 72 HA THR 72 1.423 -4.663 4.750 576 HB THR 72 HB THR 72 3.477 -2.861 5.497 577 HG1 THR 72 HG1 THR 72 4.578 -5.250 4.506 578 1HG2 THR 72 HG22 THR 72 2.984 -5.787 6.095 579 2HG2 THR 72 HG21 THR 72 4.113 -4.768 6.988 580 3HG2 THR 72 HG23 THR 72 2.387 -4.405 7.016 581 H ILE 73 HN ILE 73 0.314 -2.838 5.636 582 HA ILE 73 HA ILE 73 0.503 -0.308 4.093 583 HB ILE 73 HB ILE 73 -2.130 -0.356 4.417 584 1HG1 ILE 73 HG12 ILE 73 -2.881 -2.746 3.859 585 2HG1 ILE 73 HG11 ILE 73 -1.292 -3.260 4.422 586 1HG2 ILE 73 HG21 ILE 73 -0.782 -0.212 2.282 587 2HG2 ILE 73 HG23 ILE 73 -0.820 -1.975 2.221 588 3HG2 ILE 73 HG22 ILE 73 -2.322 -1.056 2.121 589 1HD1 ILE 73 HD12 ILE 73 -2.298 -1.453 6.365 590 2HD1 ILE 73 HD11 ILE 73 -3.609 -2.568 5.981 591 3HD1 ILE 73 HD13 ILE 73 -2.056 -3.192 6.538 592 H GLY 74 HN GLY 74 -1.311 1.227 5.307 593 1HA GLY 74 HA2 GLY 74 -1.867 1.002 8.023 594 2HA GLY 74 HA1 GLY 74 -0.214 1.613 7.956 595 H GLY 75 HN GLY 75 -2.968 2.308 5.817 596 1HA GLY 75 HA2 GLY 75 -2.444 5.188 6.248 597 2HA GLY 75 HA1 GLY 75 -3.453 4.510 4.974 598 H ASN 76 HN ASN 76 -5.614 4.381 5.326 599 HA ASN 76 HA ASN 76 -6.851 4.065 7.881 600 1HB ASN 76 HB2 ASN 76 -6.046 6.767 7.202 601 2HB ASN 76 HB1 ASN 76 -7.800 6.659 7.359 602 1HD2 ASN 76 HD22 ASN 76 -7.707 6.290 10.865 603 2HD2 ASN 76 HD21 ASN 76 -8.659 6.461 9.469 604 H VAL 77 HN VAL 77 -9.260 4.466 7.711 605 HA VAL 77 HA VAL 77 -10.208 4.418 4.880 606 HB VAL 77 HB VAL 77 -10.135 2.093 5.659 607 1HG1 VAL 77 HG12 VAL 77 -10.473 3.082 8.145 608 2HG1 VAL 77 HG11 VAL 77 -12.136 2.607 7.803 609 3HG1 VAL 77 HG13 VAL 77 -10.844 1.408 7.734 610 1HG2 VAL 77 HG23 VAL 77 -12.585 3.531 5.003 611 2HG2 VAL 77 HG22 VAL 77 -12.031 1.956 4.433 612 3HG2 VAL 77 HG21 VAL 77 -12.921 2.082 5.950 613 H ASP 78 HN ASP 78 -11.017 6.568 5.122 614 HA ASP 78 HA ASP 78 -13.031 6.932 7.299 615 1HB ASP 78 HB2 ASP 78 -12.425 9.296 5.680 616 2HB ASP 78 HB1 ASP 78 -12.383 9.089 7.425 617 H GLU 79 HN GLU 79 -15.168 7.289 6.816 618 HA GLU 79 HA GLU 79 -15.889 7.389 3.912 619 1HB GLU 79 HB2 GLU 79 -17.814 6.037 4.369 620 2HB GLU 79 HB1 GLU 79 -16.460 5.241 5.171 621 1HG GLU 79 HG2 GLU 79 -17.088 6.425 7.290 622 2HG GLU 79 HG1 GLU 79 -18.518 7.050 6.468 623 H ASP 80 HN ASP 80 -17.218 9.067 3.315 624 HA ASP 80 HA ASP 80 -17.986 10.991 5.424 625 1HB ASP 80 HB2 ASP 80 -16.959 11.991 3.502 626 2HB ASP 80 HB1 ASP 80 -18.015 11.109 2.398 627 H ASP 81 HN ASP 81 -19.945 10.727 2.548 628 HA ASP 81 HA ASP 81 -22.240 9.919 4.280 629 1HB ASP 81 HB2 ASP 81 -21.944 11.707 1.909 630 2HB ASP 81 HB1 ASP 81 -23.451 10.802 2.052 631 H ASP 82 HN ASP 82 -21.254 9.586 0.851 632 HA ASP 82 HA ASP 82 -22.139 6.731 1.004 633 1HB ASP 82 HB2 ASP 82 -22.728 7.047 -1.475 634 2HB ASP 82 HB1 ASP 82 -23.808 7.823 -0.316 635 H ARG 83 HN ARG 83 -20.050 9.144 -0.506 636 HA ARG 83 HA ARG 83 -18.441 7.319 -2.025 637 1HB ARG 83 HB2 ARG 83 -18.296 10.143 -1.143 638 2HB ARG 83 HB1 ARG 83 -16.743 9.374 -1.453 639 1HG ARG 83 HG2 ARG 83 -17.097 9.784 -3.644 640 2HG ARG 83 HG1 ARG 83 -18.360 8.553 -3.582 641 1HD ARG 83 HD2 ARG 83 -19.735 10.631 -2.553 642 2HD ARG 83 HD1 ARG 83 -18.604 11.517 -3.578 643 HE ARG 83 HE ARG 83 -19.546 9.543 -5.252 644 1HH1 ARG 83 HH21 ARG 83 -20.969 11.912 -3.178 645 2HH1 ARG 83 HH22 ARG 83 -22.385 12.102 -4.156 646 1HH2 ARG 83 HH11 ARG 83 -21.382 9.790 -6.537 647 2HH2 ARG 83 HH12 ARG 83 -22.619 10.903 -6.057 648 H PHE 84 HN PHE 84 -15.863 7.519 -1.304 649 HA PHE 84 HA PHE 84 -15.657 6.834 1.577 650 1HB PHE 84 HB2 PHE 84 -15.458 4.943 -0.630 651 2HB PHE 84 HB1 PHE 84 -13.965 4.998 0.308 652 HD1 PHE 84 HD1 PHE 84 -17.636 4.470 0.516 653 HD2 PHE 84 HD2 PHE 84 -13.867 4.169 2.555 654 HE1 PHE 84 HE1 PHE 84 -18.716 3.150 2.318 655 HE2 PHE 84 HE2 PHE 84 -14.946 2.850 4.355 656 HZ PHE 84 HZ PHE 84 -17.370 2.341 4.238 657 H VAL 85 HN VAL 85 -13.283 6.703 2.214 658 HA VAL 85 HA VAL 85 -11.406 8.060 0.402 659 HB VAL 85 HB VAL 85 -12.914 9.755 1.839 660 1HG1 VAL 85 HG11 VAL 85 -11.842 8.411 3.915 661 2HG1 VAL 85 HG13 VAL 85 -10.573 9.612 3.677 662 3HG1 VAL 85 HG12 VAL 85 -12.225 10.130 4.007 663 1HG2 VAL 85 HG23 VAL 85 -9.915 9.950 1.445 664 2HG2 VAL 85 HG22 VAL 85 -11.156 10.440 0.291 665 3HG2 VAL 85 HG21 VAL 85 -10.966 11.317 1.808 666 H LEU 86 HN LEU 86 -9.212 8.141 1.391 667 HA LEU 86 HA LEU 86 -8.650 6.879 3.887 668 1HB LEU 86 HB2 LEU 86 -7.593 4.829 2.810 669 2HB LEU 86 HB1 LEU 86 -9.342 4.839 2.915 670 HG LEU 86 HG LEU 86 -8.593 6.168 0.530 671 1HD1 LEU 86 HD13 LEU 86 -7.155 3.568 1.078 672 2HD1 LEU 86 HD12 LEU 86 -7.605 4.003 -0.570 673 3HD1 LEU 86 HD11 LEU 86 -6.510 5.033 0.345 674 1HD2 LEU 86 HD23 LEU 86 -10.230 3.910 1.438 675 2HD2 LEU 86 HD22 LEU 86 -10.601 5.168 0.259 676 3HD2 LEU 86 HD21 LEU 86 -9.661 3.756 -0.225 677 H GLU 87 HN GLU 87 -6.321 5.685 2.006 678 HA GLU 87 HA GLU 87 -4.636 8.122 2.194 679 1HB GLU 87 HB2 GLU 87 -2.777 6.652 2.421 680 2HB GLU 87 HB1 GLU 87 -4.011 6.085 3.525 681 1HG GLU 87 HG2 GLU 87 -4.676 4.804 1.189 682 2HG GLU 87 HG1 GLU 87 -2.914 4.815 1.120 683 H TRP 88 HN TRP 88 -2.885 8.229 0.536 684 HA TRP 88 HA TRP 88 -3.872 7.245 -2.107 685 1HB TRP 88 HB2 TRP 88 -3.285 9.793 -1.511 686 2HB TRP 88 HB1 TRP 88 -1.678 9.253 -1.987 687 HD1 TRP 88 HD1 TRP 88 -5.119 8.259 -3.431 688 HE1 TRP 88 HE1 TRP 88 -5.089 8.720 -5.969 689 HE3 TRP 88 HE3 TRP 88 -0.485 10.364 -3.896 690 HZ2 TRP 88 HZ2 TRP 88 -3.333 9.832 -7.934 691 HZ3 TRP 88 HZ3 TRP 88 0.339 11.113 -6.110 692 HH2 TRP 88 HH2 TRP 88 -1.078 10.851 -8.128 693 H LYS 89 HN LYS 89 -2.635 5.819 -3.259 694 HA LYS 89 HA LYS 89 -0.308 4.649 -1.930 695 1HB LYS 89 HB2 LYS 89 -1.090 4.021 -4.764 696 2HB LYS 89 HB1 LYS 89 -0.439 2.946 -3.526 697 1HG LYS 89 HG2 LYS 89 -2.544 2.305 -3.057 698 2HG LYS 89 HG1 LYS 89 -2.866 3.942 -2.483 699 1HD LYS 89 HD2 LYS 89 -3.916 4.568 -4.429 700 2HD LYS 89 HD1 LYS 89 -2.916 3.514 -5.429 701 1HE LYS 89 HE2 LYS 89 -4.136 1.544 -4.444 702 2HE LYS 89 HE1 LYS 89 -5.223 2.684 -3.651 703 1HZ LYS 89 HZ1 LYS 89 -5.119 3.513 -6.255 704 2HZ LYS 89 HZ3 LYS 89 -5.180 1.821 -6.367 705 3HZ LYS 89 HZ2 LYS 89 -6.391 2.660 -5.520 706 H ASN 90 HN ASN 90 1.489 5.958 -1.981 707 HA ASN 90 HA ASN 90 2.241 7.143 -4.619 708 1HB ASN 90 HB2 ASN 90 1.967 8.781 -2.789 709 2HB ASN 90 HB1 ASN 90 3.157 7.903 -1.828 710 1HD2 ASN 90 HD22 ASN 90 5.917 9.357 -3.469 711 2HD2 ASN 90 HD21 ASN 90 5.364 8.341 -2.227 No H/Q in entry = 711 Start of MODEL 11 1 1H MET 1 HT3 MET 1 -0.844 21.904 4.297 2 2H MET 1 HT2 MET 1 -1.264 21.230 5.799 3 3H MET 1 HT1 MET 1 -0.733 22.841 5.707 4 HA MET 1 HA MET 1 1.463 22.226 5.218 5 1HB MET 1 HB2 MET 1 0.099 20.680 7.394 6 2HB MET 1 HB1 MET 1 1.796 20.336 7.050 7 1HG MET 1 HG2 MET 1 1.888 22.047 8.678 8 2HG MET 1 HG1 MET 1 2.128 22.902 7.154 9 1HE MET 1 HE2 MET 1 1.864 24.781 8.293 10 2HE MET 1 HE1 MET 1 0.371 25.701 8.131 11 3HE MET 1 HE3 MET 1 0.779 24.934 9.672 12 H SER 2 HN SER 2 0.717 21.218 2.961 13 HA SER 2 HA SER 2 1.298 19.530 1.424 14 1HB SER 2 HB2 SER 2 3.032 19.096 3.553 15 2HB SER 2 HB1 SER 2 2.233 17.539 3.353 16 HG SER 2 HG SER 2 2.713 17.879 1.028 17 H SER 3 HN SER 3 1.113 16.720 1.787 18 HA SER 3 HA SER 3 -1.297 15.974 3.187 19 1HB SER 3 HB2 SER 3 -1.921 15.638 0.350 20 2HB SER 3 HB1 SER 3 -2.923 16.291 1.644 21 HG SER 3 HG SER 3 -2.199 17.752 -0.142 22 H LEU 4 HN LEU 4 -0.487 13.952 3.749 23 HA LEU 4 HA LEU 4 -0.063 12.059 1.600 24 1HB LEU 4 HB2 LEU 4 2.180 11.394 2.645 25 2HB LEU 4 HB1 LEU 4 2.151 12.779 1.568 26 HG LEU 4 HG LEU 4 3.445 13.098 3.739 27 1HD1 LEU 4 HD11 LEU 4 1.996 14.872 2.264 28 2HD1 LEU 4 HD13 LEU 4 1.277 15.105 3.858 29 3HD1 LEU 4 HD12 LEU 4 3.012 15.329 3.632 30 1HD2 LEU 4 HD23 LEU 4 1.572 11.852 5.038 31 2HD2 LEU 4 HD22 LEU 4 2.308 13.263 5.794 32 3HD2 LEU 4 HD21 LEU 4 0.732 13.402 5.017 33 H VAL 5 HN VAL 5 0.224 9.865 2.348 34 HA VAL 5 HA VAL 5 -1.003 9.453 5.072 35 HB VAL 5 HB VAL 5 -1.224 7.886 2.494 36 1HG1 VAL 5 HG12 VAL 5 -2.124 7.142 5.281 37 2HG1 VAL 5 HG11 VAL 5 -2.693 6.342 3.817 38 3HG1 VAL 5 HG13 VAL 5 -0.989 6.259 4.263 39 1HG2 VAL 5 HG21 VAL 5 -2.844 9.848 3.896 40 2HG2 VAL 5 HG23 VAL 5 -3.047 9.194 2.270 41 3HG2 VAL 5 HG22 VAL 5 -3.727 8.340 3.656 42 H TYR 6 HN TYR 6 -0.357 7.178 5.952 43 HA TYR 6 HA TYR 6 2.323 6.331 5.028 44 1HB TYR 6 HB2 TYR 6 2.974 7.961 6.643 45 2HB TYR 6 HB1 TYR 6 1.730 7.435 7.770 46 HD1 TYR 6 HD1 TYR 6 4.809 6.262 6.012 47 HD2 TYR 6 HD2 TYR 6 2.191 5.779 9.382 48 HE1 TYR 6 HE1 TYR 6 6.400 4.647 7.016 49 HE2 TYR 6 HE2 TYR 6 3.780 4.163 10.386 50 HH TYR 6 HH TYR 6 6.586 3.862 9.996 51 H ILE 7 HN ILE 7 2.631 4.162 5.355 52 HA ILE 7 HA ILE 7 1.091 2.637 7.326 53 HB ILE 7 HB ILE 7 -0.122 1.276 5.727 54 1HG1 ILE 7 HG12 ILE 7 1.556 2.802 3.735 55 2HG1 ILE 7 HG11 ILE 7 1.374 1.057 3.909 56 1HG2 ILE 7 HG23 ILE 7 -1.142 3.486 6.335 57 2HG2 ILE 7 HG22 ILE 7 -0.423 4.176 4.881 58 3HG2 ILE 7 HG21 ILE 7 -1.643 2.911 4.746 59 1HD1 ILE 7 HD12 ILE 7 -1.192 1.722 3.400 60 2HD1 ILE 7 HD11 ILE 7 -0.377 3.019 2.526 61 3HD1 ILE 7 HD13 ILE 7 -0.036 1.335 2.125 62 H ALA 8 HN ALA 8 1.933 0.322 7.321 63 HA ALA 8 HA ALA 8 4.071 -0.311 5.453 64 1HB ALA 8 HB3 ALA 8 5.105 1.395 7.049 65 2HB ALA 8 HB2 ALA 8 4.979 0.154 8.294 66 3HB ALA 8 HB1 ALA 8 5.968 -0.131 6.863 67 H PHE 9 HN PHE 9 5.142 -2.380 6.032 68 HA PHE 9 HA PHE 9 3.740 -4.048 8.013 69 1HB PHE 9 HB2 PHE 9 3.499 -4.265 5.048 70 2HB PHE 9 HB1 PHE 9 3.713 -5.767 5.937 71 HD1 PHE 9 HD1 PHE 9 1.686 -2.613 6.020 72 HD2 PHE 9 HD2 PHE 9 1.842 -6.823 6.857 73 HE1 PHE 9 HE1 PHE 9 -0.711 -2.575 6.652 74 HE2 PHE 9 HE2 PHE 9 -0.556 -6.785 7.489 75 HZ PHE 9 HZ PHE 9 -1.832 -4.661 7.387 76 H GLN 10 HN GLN 10 4.911 -6.173 8.222 77 HA GLN 10 HA GLN 10 7.725 -5.981 7.231 78 1HB GLN 10 HB2 GLN 10 7.198 -5.584 9.810 79 2HB GLN 10 HB1 GLN 10 7.130 -7.346 9.833 80 1HG GLN 10 HG2 GLN 10 9.449 -5.690 8.790 81 2HG GLN 10 HG1 GLN 10 9.411 -6.529 10.339 82 1HE2 GLN 10 HE22 GLN 10 9.689 -8.780 6.898 83 2HE2 GLN 10 HE21 GLN 10 8.988 -7.244 6.825 84 H ASP 11 HN ASP 11 6.934 -7.389 5.486 85 HA ASP 11 HA ASP 11 6.251 -10.150 6.389 86 1HB ASP 11 HB2 ASP 11 5.566 -10.444 3.961 87 2HB ASP 11 HB1 ASP 11 4.602 -9.283 4.876 88 H ASN 12 HN ASN 12 7.168 -11.916 4.975 89 HA ASN 12 HA ASN 12 10.049 -11.352 4.467 90 1HB ASN 12 HB2 ASN 12 8.864 -13.346 5.932 91 2HB ASN 12 HB1 ASN 12 9.101 -14.144 4.378 92 1HD2 ASN 12 HD22 ASN 12 12.756 -13.357 4.594 93 2HD2 ASN 12 HD21 ASN 12 11.511 -12.943 3.517 94 H ASP 13 HN ASP 13 7.319 -11.304 2.717 95 HA ASP 13 HA ASP 13 8.114 -12.998 0.479 96 1HB ASP 13 HB2 ASP 13 5.939 -10.944 0.906 97 2HB ASP 13 HB1 ASP 13 6.225 -11.676 -0.673 98 H ASN 14 HN ASN 14 10.004 -12.328 -0.489 99 HA ASN 14 HA ASN 14 10.798 -9.573 -0.719 100 1HB ASN 14 HB2 ASN 14 12.487 -11.305 -0.874 101 2HB ASN 14 HB1 ASN 14 11.658 -12.056 -2.238 102 1HD2 ASN 14 HD22 ASN 14 14.232 -9.035 -2.919 103 2HD2 ASN 14 HD21 ASN 14 14.051 -9.751 -1.391 104 H ALA 15 HN ALA 15 8.376 -11.341 -2.269 105 HA ALA 15 HA ALA 15 8.498 -10.356 -4.928 106 1HB ALA 15 HB2 ALA 15 6.896 -12.114 -4.053 107 2HB ALA 15 HB1 ALA 15 5.966 -10.806 -3.321 108 3HB ALA 15 HB3 ALA 15 6.144 -10.888 -5.074 109 H ARG 16 HN ARG 16 7.145 -8.974 -1.963 110 HA ARG 16 HA ARG 16 6.022 -6.629 -3.182 111 1HB ARG 16 HB2 ARG 16 5.242 -7.035 -1.004 112 2HB ARG 16 HB1 ARG 16 6.856 -7.386 -0.388 113 1HG ARG 16 HG2 ARG 16 7.327 -5.191 -0.003 114 2HG ARG 16 HG1 ARG 16 6.506 -4.658 -1.470 115 1HD ARG 16 HD2 ARG 16 4.422 -5.605 0.083 116 2HD ARG 16 HD1 ARG 16 5.482 -4.850 1.271 117 HE ARG 16 HE ARG 16 5.318 -2.978 -0.773 118 1HH1 ARG 16 HH21 ARG 16 3.099 -4.748 1.196 119 2HH1 ARG 16 HH22 ARG 16 1.890 -3.509 1.172 120 1HH2 ARG 16 HH11 ARG 16 3.748 -1.358 -0.813 121 2HH2 ARG 16 HH12 ARG 16 2.257 -1.591 0.037 122 H TYR 17 HN TYR 17 9.230 -7.426 -1.909 123 HA TYR 17 HA TYR 17 10.373 -4.834 -1.941 124 1HB TYR 17 HB2 TYR 17 11.321 -7.301 -1.332 125 2HB TYR 17 HB1 TYR 17 12.083 -7.063 -2.905 126 HD1 TYR 17 HD2 TYR 17 12.198 -3.990 -2.722 127 HD2 TYR 17 HD1 TYR 17 13.332 -7.107 0.006 128 HE1 TYR 17 HE2 TYR 17 13.870 -2.478 -1.688 129 HE2 TYR 17 HE1 TYR 17 15.004 -5.595 1.041 130 HH TYR 17 HH TYR 17 16.157 -3.640 0.723 131 H VAL 18 HN VAL 18 10.168 -7.270 -4.547 132 HA VAL 18 HA VAL 18 11.514 -5.792 -6.554 133 HB VAL 18 HB VAL 18 9.096 -7.582 -6.954 134 1HG1 VAL 18 HG13 VAL 18 11.306 -6.551 -8.729 135 2HG1 VAL 18 HG12 VAL 18 10.442 -8.038 -9.122 136 3HG1 VAL 18 HG11 VAL 18 9.565 -6.513 -9.006 137 1HG2 VAL 18 HG22 VAL 18 12.039 -8.203 -6.601 138 2HG2 VAL 18 HG21 VAL 18 10.684 -8.837 -5.667 139 3HG2 VAL 18 HG23 VAL 18 10.910 -9.336 -7.343 140 H VAL 19 HN VAL 19 7.983 -5.987 -5.979 141 HA VAL 19 HA VAL 19 7.232 -3.936 -7.778 142 HB VAL 19 HB VAL 19 5.931 -4.503 -5.099 143 1HG1 VAL 19 HG13 VAL 19 5.336 -2.642 -7.086 144 2HG1 VAL 19 HG12 VAL 19 4.242 -3.984 -7.424 145 3HG1 VAL 19 HG11 VAL 19 4.230 -3.214 -5.837 146 1HG2 VAL 19 HG22 VAL 19 5.682 -5.933 -7.762 147 2HG2 VAL 19 HG21 VAL 19 6.244 -6.621 -6.239 148 3HG2 VAL 19 HG23 VAL 19 4.556 -6.147 -6.422 149 H GLU 20 HN GLU 20 8.832 -3.786 -4.721 150 HA GLU 20 HA GLU 20 8.177 -1.020 -4.119 151 1HB GLU 20 HB2 GLU 20 9.038 -2.896 -2.522 152 2HB GLU 20 HB1 GLU 20 10.636 -2.434 -3.111 153 1HG GLU 20 HG2 GLU 20 10.579 -0.385 -2.078 154 2HG GLU 20 HG1 GLU 20 8.833 -0.219 -2.273 155 H ALA 21 HN ALA 21 10.842 -2.688 -5.766 156 HA ALA 21 HA ALA 21 12.440 -0.293 -6.079 157 1HB ALA 21 HB1 ALA 21 12.771 -3.046 -6.595 158 2HB ALA 21 HB3 ALA 21 12.910 -2.250 -8.162 159 3HB ALA 21 HB2 ALA 21 13.966 -1.771 -6.833 160 H ILE 22 HN ILE 22 9.808 -1.762 -7.856 161 HA ILE 22 HA ILE 22 10.227 -0.168 -10.260 162 HB ILE 22 HB ILE 22 7.794 -1.704 -9.292 163 1HG1 ILE 22 HG12 ILE 22 9.901 -3.028 -9.715 164 2HG1 ILE 22 HG11 ILE 22 8.561 -3.457 -10.779 165 1HG2 ILE 22 HG21 ILE 22 8.325 0.002 -11.647 166 2HG2 ILE 22 HG23 ILE 22 7.640 -1.579 -12.020 167 3HG2 ILE 22 HG22 ILE 22 6.787 -0.484 -10.933 168 1HD1 ILE 22 HD13 ILE 22 10.693 -1.447 -11.540 169 2HD1 ILE 22 HD12 ILE 22 10.797 -3.160 -11.944 170 3HD1 ILE 22 HD11 ILE 22 9.484 -2.179 -12.594 171 H ILE 23 HN ILE 23 8.132 0.036 -7.386 172 HA ILE 23 HA ILE 23 6.644 2.318 -8.230 173 HB ILE 23 HB ILE 23 6.436 0.714 -6.100 174 1HG1 ILE 23 HG12 ILE 23 5.603 3.495 -5.486 175 2HG1 ILE 23 HG11 ILE 23 5.064 2.850 -7.038 176 1HG2 ILE 23 HG22 ILE 23 7.931 3.137 -5.057 177 2HG2 ILE 23 HG21 ILE 23 7.066 1.983 -4.043 178 3HG2 ILE 23 HG23 ILE 23 8.463 1.459 -4.979 179 1HD1 ILE 23 HD12 ILE 23 4.739 0.818 -5.040 180 2HD1 ILE 23 HD11 ILE 23 3.989 2.305 -4.459 181 3HD1 ILE 23 HD13 ILE 23 3.495 1.613 -6.005 182 H GLN 24 HN GLN 24 9.689 2.068 -6.382 183 HA GLN 24 HA GLN 24 10.050 4.928 -6.185 184 1HB GLN 24 HB2 GLN 24 11.488 2.549 -5.407 185 2HB GLN 24 HB1 GLN 24 12.592 3.657 -6.223 186 1HG GLN 24 HG2 GLN 24 11.233 5.406 -4.654 187 2HG GLN 24 HG1 GLN 24 11.176 3.966 -3.638 188 1HE2 GLN 24 HE22 GLN 24 14.675 5.963 -4.091 189 2HE2 GLN 24 HE21 GLN 24 13.250 6.493 -4.848 190 H ASP 25 HN ASP 25 10.832 2.475 -8.583 191 HA ASP 25 HA ASP 25 12.684 3.828 -10.194 192 1HB ASP 25 HB2 ASP 25 10.923 1.614 -10.501 193 2HB ASP 25 HB1 ASP 25 10.659 2.673 -11.887 194 H ASN 26 HN ASN 26 9.272 4.410 -9.680 195 HA ASN 26 HA ASN 26 9.040 6.352 -11.858 196 1HB ASN 26 HB2 ASN 26 7.142 6.287 -9.543 197 2HB ASN 26 HB1 ASN 26 6.802 6.509 -11.260 198 1HD2 ASN 26 HD22 ASN 26 7.588 2.786 -11.610 199 2HD2 ASN 26 HD21 ASN 26 8.481 4.159 -12.056 200 HA PRO 27 HA PRO 27 10.668 9.520 -9.284 201 1HB PRO 27 HB2 PRO 27 10.076 11.557 -11.229 202 2HB PRO 27 HB1 PRO 27 11.638 10.804 -10.881 203 1HG PRO 27 HG2 PRO 27 9.990 10.414 -13.198 204 2HG PRO 27 HG1 PRO 27 11.529 9.629 -12.821 205 1HD PRO 27 HD2 PRO 27 8.883 8.476 -12.756 206 2HD PRO 27 HD1 PRO 27 10.433 7.679 -12.430 207 H HIS 28 HN HIS 28 7.987 8.804 -8.707 208 HA HIS 28 HA HIS 28 6.912 11.444 -7.933 209 1HB HIS 28 HB2 HIS 28 5.951 10.526 -10.203 210 2HB HIS 28 HB1 HIS 28 5.027 9.457 -9.150 211 HD1 HIS 28 HD1 HIS 28 3.460 10.651 -7.345 212 HD2 HIS 28 HD2 HIS 28 5.024 13.169 -10.277 213 HE1 HIS 28 HE1 HIS 28 2.106 12.790 -7.249 214 H ALA 29 HN ALA 29 6.353 7.912 -7.884 215 HA ALA 29 HA ALA 29 4.751 7.874 -5.529 216 1HB ALA 29 HB2 ALA 29 6.507 5.853 -6.901 217 2HB ALA 29 HB1 ALA 29 5.784 5.472 -5.338 218 3HB ALA 29 HB3 ALA 29 4.753 5.856 -6.717 219 H VAL 30 HN VAL 30 5.296 7.753 -3.333 220 HA VAL 30 HA VAL 30 8.127 8.442 -2.711 221 HB VAL 30 HB VAL 30 6.487 9.990 -1.806 222 1HG1 VAL 30 HG13 VAL 30 5.210 7.454 -0.781 223 2HG1 VAL 30 HG12 VAL 30 4.862 9.021 -0.049 224 3HG1 VAL 30 HG11 VAL 30 4.479 8.736 -1.747 225 1HG2 VAL 30 HG22 VAL 30 7.558 8.124 0.335 226 2HG2 VAL 30 HG21 VAL 30 8.426 9.483 -0.379 227 3HG2 VAL 30 HG23 VAL 30 6.997 9.773 0.613 228 H VAL 31 HN VAL 31 9.374 7.115 -1.386 229 HA VAL 31 HA VAL 31 8.113 4.814 -0.033 230 HB VAL 31 HB VAL 31 10.447 4.085 -1.727 231 1HG1 VAL 31 HG11 VAL 31 8.992 2.640 -0.103 232 2HG1 VAL 31 HG13 VAL 31 7.838 2.617 -1.437 233 3HG1 VAL 31 HG12 VAL 31 9.460 1.962 -1.663 234 1HG2 VAL 31 HG22 VAL 31 8.940 5.487 -3.213 235 2HG2 VAL 31 HG21 VAL 31 9.147 3.818 -3.742 236 3HG2 VAL 31 HG23 VAL 31 7.666 4.304 -2.917 237 H GLN 32 HN GLN 32 9.807 3.609 1.282 238 HA GLN 32 HA GLN 32 12.375 4.899 1.726 239 1HB GLN 32 HB2 GLN 32 10.032 5.701 3.316 240 2HB GLN 32 HB1 GLN 32 11.410 5.186 4.290 241 1HG GLN 32 HG2 GLN 32 12.730 6.932 3.598 242 2HG GLN 32 HG1 GLN 32 11.995 6.989 1.995 243 1HE2 GLN 32 HE22 GLN 32 10.773 9.648 4.664 244 2HE2 GLN 32 HE21 GLN 32 12.255 8.822 4.721 245 H HIS 33 HN HIS 33 12.897 2.612 1.349 246 HA HIS 33 HA HIS 33 12.348 0.905 3.746 247 1HB HIS 33 HB2 HIS 33 13.023 -0.951 1.983 248 2HB HIS 33 HB1 HIS 33 11.378 -0.317 2.021 249 HD1 HIS 33 HD1 HIS 33 14.610 -0.049 0.083 250 HD2 HIS 33 HD2 HIS 33 10.647 1.204 -0.240 251 HE1 HIS 33 HE1 HIS 33 14.345 0.890 -2.254 252 H HIS 34 HN HIS 34 14.136 -0.095 4.718 253 HA HIS 34 HA HIS 34 16.757 -0.056 3.437 254 1HB HIS 34 HB2 HIS 34 15.940 2.128 5.158 255 2HB HIS 34 HB1 HIS 34 17.317 1.270 5.846 256 HD1 HIS 34 HD1 HIS 34 19.569 1.594 4.732 257 HD2 HIS 34 HD2 HIS 34 16.436 3.123 2.446 258 HE1 HIS 34 HE1 HIS 34 20.633 2.865 2.818 259 HA PRO 35 HA PRO 35 17.122 -2.119 7.673 260 1HB PRO 35 HB2 PRO 35 14.648 -2.103 9.122 261 2HB PRO 35 HB1 PRO 35 16.173 -1.332 9.578 262 1HG PRO 35 HG2 PRO 35 13.750 -0.066 8.637 263 2HG PRO 35 HG1 PRO 35 15.253 0.703 9.165 264 1HD PRO 35 HD2 PRO 35 14.256 0.491 6.489 265 2HD PRO 35 HD1 PRO 35 15.797 1.186 7.019 266 H ALA 36 HN ALA 36 15.201 -3.899 8.893 267 HA ALA 36 HA ALA 36 14.732 -5.692 6.613 268 1HB ALA 36 HB2 ALA 36 15.606 -6.584 8.749 269 2HB ALA 36 HB1 ALA 36 14.136 -6.056 9.567 270 3HB ALA 36 HB3 ALA 36 14.056 -7.320 8.341 271 H MET 37 HN MET 37 13.015 -3.196 8.011 272 HA MET 37 HA MET 37 10.359 -4.461 7.746 273 1HB MET 37 HB2 MET 37 11.419 -2.259 9.202 274 2HB MET 37 HB1 MET 37 10.221 -1.611 8.081 275 1HG MET 37 HG2 MET 37 8.672 -3.488 8.877 276 2HG MET 37 HG1 MET 37 9.831 -3.751 10.180 277 1HE MET 37 HE3 MET 37 10.974 -1.902 11.138 278 2HE MET 37 HE2 MET 37 10.407 -0.249 11.355 279 3HE MET 37 HE1 MET 37 9.900 -1.501 12.486 280 H ILE 38 HN ILE 38 8.685 -3.193 6.439 281 HA ILE 38 HA ILE 38 9.879 -1.909 4.034 282 HB ILE 38 HB ILE 38 9.177 -4.535 3.986 283 1HG1 ILE 38 HG12 ILE 38 8.416 -3.419 1.455 284 2HG1 ILE 38 HG11 ILE 38 9.760 -2.486 2.116 285 1HG2 ILE 38 HG21 ILE 38 6.691 -3.000 3.195 286 2HG2 ILE 38 HG23 ILE 38 6.980 -4.696 2.805 287 3HG2 ILE 38 HG22 ILE 38 6.834 -4.191 4.488 288 1HD1 ILE 38 HD12 ILE 38 10.998 -4.600 2.531 289 2HD1 ILE 38 HD11 ILE 38 9.671 -5.502 1.799 290 3HD1 ILE 38 HD13 ILE 38 10.622 -4.384 0.821 291 H ARG 39 HN ARG 39 8.877 0.088 3.968 292 HA ARG 39 HA ARG 39 5.979 0.157 4.700 293 1HB ARG 39 HB2 ARG 39 6.308 2.245 5.859 294 2HB ARG 39 HB1 ARG 39 7.493 1.095 6.482 295 1HG ARG 39 HG2 ARG 39 8.967 2.104 4.497 296 2HG ARG 39 HG1 ARG 39 7.908 3.492 4.747 297 1HD ARG 39 HD2 ARG 39 9.427 4.040 6.358 298 2HD ARG 39 HD1 ARG 39 8.527 2.872 7.325 299 HE ARG 39 HE ARG 39 10.410 1.326 6.006 300 1HH1 ARG 39 HH21 ARG 39 10.439 4.158 7.986 301 2HH1 ARG 39 HH22 ARG 39 12.009 3.838 8.642 302 1HH2 ARG 39 HH11 ARG 39 12.455 0.901 6.854 303 2HH2 ARG 39 HH12 ARG 39 13.149 1.996 8.003 304 H ILE 40 HN ILE 40 4.913 2.189 3.926 305 HA ILE 40 HA ILE 40 6.050 3.580 1.637 306 HB ILE 40 HB ILE 40 3.820 1.555 1.315 307 1HG1 ILE 40 HG12 ILE 40 5.464 1.345 -0.848 308 2HG1 ILE 40 HG11 ILE 40 6.613 1.875 0.381 309 1HG2 ILE 40 HG21 ILE 40 3.184 3.780 0.342 310 2HG2 ILE 40 HG23 ILE 40 4.634 3.708 -0.659 311 3HG2 ILE 40 HG22 ILE 40 3.358 2.510 -0.869 312 1HD1 ILE 40 HD13 ILE 40 4.816 -0.145 1.442 313 2HD1 ILE 40 HD12 ILE 40 5.654 -0.736 0.007 314 3HD1 ILE 40 HD11 ILE 40 6.579 -0.143 1.387 315 H GLU 41 HN GLU 41 4.582 5.371 0.980 316 HA GLU 41 HA GLU 41 2.385 5.870 2.956 317 1HB GLU 41 HB2 GLU 41 3.274 8.389 2.479 318 2HB GLU 41 HB1 GLU 41 3.824 7.411 3.838 319 1HG GLU 41 HG2 GLU 41 5.777 6.684 2.602 320 2HG GLU 41 HG1 GLU 41 5.192 7.469 1.135 321 H ALA 42 HN ALA 42 1.221 8.072 2.051 322 HA ALA 42 HA ALA 42 0.869 7.734 -0.893 323 1HB ALA 42 HB2 ALA 42 -1.006 6.879 0.886 324 2HB ALA 42 HB1 ALA 42 -1.523 8.549 0.655 325 3HB ALA 42 HB3 ALA 42 -1.393 7.466 -0.731 326 H GLU 43 HN GLU 43 -1.256 9.872 -0.769 327 HA GLU 43 HA GLU 43 0.480 12.188 -0.059 328 1HB GLU 43 HB2 GLU 43 -0.621 11.425 -2.704 329 2HB GLU 43 HB1 GLU 43 -0.687 13.138 -2.286 330 1HG GLU 43 HG2 GLU 43 1.875 11.894 -1.592 331 2HG GLU 43 HG1 GLU 43 1.523 11.824 -3.319 332 H LYS 44 HN LYS 44 -2.043 11.016 1.165 333 HA LYS 44 HA LYS 44 -3.743 12.052 2.386 334 1HB LYS 44 HB2 LYS 44 -2.535 14.210 2.208 335 2HB LYS 44 HB1 LYS 44 -3.321 14.476 0.656 336 1HG LYS 44 HG2 LYS 44 -5.403 13.812 2.405 337 2HG LYS 44 HG1 LYS 44 -4.369 14.908 3.323 338 1HD LYS 44 HD2 LYS 44 -4.519 16.003 0.731 339 2HD LYS 44 HD1 LYS 44 -6.164 15.510 1.135 340 1HE LYS 44 HE2 LYS 44 -4.539 16.965 3.194 341 2HE LYS 44 HE1 LYS 44 -5.275 17.884 1.881 342 1HZ LYS 44 HZ1 LYS 44 -7.269 16.239 2.681 343 2HZ LYS 44 HZ3 LYS 44 -6.507 16.620 4.148 344 3HZ LYS 44 HZ2 LYS 44 -7.090 17.863 3.147 345 H ARG 45 HN ARG 45 -3.739 12.568 -1.013 346 HA ARG 45 HA ARG 45 -6.613 11.851 -0.944 347 1HB ARG 45 HB2 ARG 45 -5.391 13.771 -2.925 348 2HB ARG 45 HB1 ARG 45 -7.107 13.495 -2.594 349 1HG ARG 45 HG2 ARG 45 -6.800 14.303 -0.281 350 2HG ARG 45 HG1 ARG 45 -5.089 14.585 -0.606 351 1HD ARG 45 HD2 ARG 45 -6.757 15.843 -2.631 352 2HD ARG 45 HD1 ARG 45 -7.181 16.408 -1.016 353 HE ARG 45 HE ARG 45 -4.417 16.538 -1.050 354 1HH1 ARG 45 HH21 ARG 45 -6.981 17.671 -3.065 355 2HH1 ARG 45 HH22 ARG 45 -6.134 19.097 -3.562 356 1HH2 ARG 45 HH11 ARG 45 -3.306 18.402 -1.684 357 2HH2 ARG 45 HH12 ARG 45 -4.058 19.511 -2.781 358 H LEU 46 HN LEU 46 -6.819 9.897 -1.839 359 HA LEU 46 HA LEU 46 -5.445 9.343 -4.417 360 1HB LEU 46 HB2 LEU 46 -5.563 6.971 -2.722 361 2HB LEU 46 HB1 LEU 46 -4.194 7.638 -3.605 362 HG LEU 46 HG LEU 46 -5.130 8.904 -1.026 363 1HD1 LEU 46 HD11 LEU 46 -4.678 6.448 -0.685 364 2HD1 LEU 46 HD13 LEU 46 -3.035 6.735 -1.260 365 3HD1 LEU 46 HD12 LEU 46 -3.603 7.518 0.215 366 1HD2 LEU 46 HD23 LEU 46 -3.341 9.730 -2.874 367 2HD2 LEU 46 HD22 LEU 46 -3.194 10.093 -1.154 368 3HD2 LEU 46 HD21 LEU 46 -2.293 8.747 -1.851 369 H GLU 47 HN GLU 47 -6.675 7.991 -5.786 370 HA GLU 47 HA GLU 47 -9.085 6.677 -4.728 371 1HB GLU 47 HB2 GLU 47 -9.870 8.984 -5.101 372 2HB GLU 47 HB1 GLU 47 -9.288 8.917 -6.764 373 1HG GLU 47 HG2 GLU 47 -10.897 6.611 -6.356 374 2HG GLU 47 HG1 GLU 47 -11.794 7.988 -5.714 375 H ILE 48 HN ILE 48 -9.678 4.950 -6.016 376 HA ILE 48 HA ILE 48 -8.548 4.765 -8.757 377 HB ILE 48 HB ILE 48 -8.335 2.200 -7.429 378 1HG1 ILE 48 HG12 ILE 48 -6.207 3.017 -6.124 379 2HG1 ILE 48 HG11 ILE 48 -7.044 4.569 -6.099 380 1HG2 ILE 48 HG21 ILE 48 -6.301 4.047 -8.710 381 2HG2 ILE 48 HG23 ILE 48 -6.036 2.344 -8.336 382 3HG2 ILE 48 HG22 ILE 48 -7.239 2.805 -9.541 383 1HD1 ILE 48 HD11 ILE 48 -8.855 2.403 -5.420 384 2HD1 ILE 48 HD13 ILE 48 -7.458 2.421 -4.343 385 3HD1 ILE 48 HD12 ILE 48 -8.467 3.859 -4.503 386 H ARG 49 HN ARG 49 -9.850 3.514 -10.141 387 HA ARG 49 HA ARG 49 -12.468 2.715 -8.969 388 1HB ARG 49 HB2 ARG 49 -12.974 2.542 -11.577 389 2HB ARG 49 HB1 ARG 49 -13.006 4.094 -10.741 390 1HG ARG 49 HG2 ARG 49 -10.763 4.613 -11.469 391 2HG ARG 49 HG1 ARG 49 -10.547 2.990 -12.125 392 1HD ARG 49 HD2 ARG 49 -11.706 3.469 -14.026 393 2HD ARG 49 HD1 ARG 49 -12.909 4.427 -13.163 394 HE ARG 49 HE ARG 49 -10.634 6.005 -13.090 395 1HH1 ARG 49 HH21 ARG 49 -12.473 4.382 -15.521 396 2HH1 ARG 49 HH22 ARG 49 -12.106 5.540 -16.754 397 1HH2 ARG 49 HH11 ARG 49 -10.149 7.521 -14.690 398 2HH2 ARG 49 HH12 ARG 49 -10.792 7.316 -16.285 399 H ARG 50 HN ARG 50 -11.500 1.390 -12.023 400 HA ARG 50 HA ARG 50 -12.094 -1.275 -11.329 401 1HB ARG 50 HB2 ARG 50 -10.379 -0.093 -13.516 402 2HB ARG 50 HB1 ARG 50 -10.667 -1.829 -13.385 403 1HG ARG 50 HG2 ARG 50 -13.007 0.046 -13.299 404 2HG ARG 50 HG1 ARG 50 -12.270 -0.337 -14.855 405 1HD ARG 50 HD2 ARG 50 -13.429 -2.265 -14.877 406 2HD ARG 50 HD1 ARG 50 -12.502 -2.791 -13.471 407 HE ARG 50 HE ARG 50 -14.481 -1.187 -12.388 408 1HH1 ARG 50 HH21 ARG 50 -14.359 -3.896 -14.530 409 2HH1 ARG 50 HH22 ARG 50 -15.893 -4.523 -14.030 410 1HH2 ARG 50 HH11 ARG 50 -16.483 -2.000 -11.729 411 2HH2 ARG 50 HH12 ARG 50 -17.093 -3.453 -12.447 412 H GLU 51 HN GLU 51 -9.295 0.557 -10.512 413 HA GLU 51 HA GLU 51 -7.243 -1.345 -10.492 414 1HB GLU 51 HB2 GLU 51 -6.902 0.974 -9.746 415 2HB GLU 51 HB1 GLU 51 -7.884 0.660 -8.316 416 1HG GLU 51 HG2 GLU 51 -5.510 0.477 -7.742 417 2HG GLU 51 HG1 GLU 51 -6.279 -1.106 -7.624 418 H THR 52 HN THR 52 -10.148 -1.248 -8.578 419 HA THR 52 HA THR 52 -9.286 -3.026 -6.487 420 HB THR 52 HB THR 52 -12.117 -2.999 -7.482 421 HG1 THR 52 HG1 THR 52 -10.719 -0.891 -6.215 422 1HG2 THR 52 HG21 THR 52 -10.639 -3.443 -4.948 423 2HG2 THR 52 HG23 THR 52 -12.194 -2.622 -4.808 424 3HG2 THR 52 HG22 THR 52 -12.104 -4.220 -5.549 425 H VAL 53 HN VAL 53 -10.963 -3.597 -9.595 426 HA VAL 53 HA VAL 53 -11.342 -6.356 -9.420 427 HB VAL 53 HB VAL 53 -10.380 -4.735 -11.802 428 1HG1 VAL 53 HG11 VAL 53 -10.703 -7.598 -11.442 429 2HG1 VAL 53 HG13 VAL 53 -11.809 -6.988 -12.673 430 3HG1 VAL 53 HG12 VAL 53 -10.074 -6.716 -12.834 431 1HG2 VAL 53 HG23 VAL 53 -12.947 -5.138 -10.463 432 2HG2 VAL 53 HG22 VAL 53 -12.499 -3.949 -11.685 433 3HG2 VAL 53 HG21 VAL 53 -13.015 -5.564 -12.173 434 H GLU 54 HN GLU 54 -8.369 -4.538 -9.787 435 HA GLU 54 HA GLU 54 -6.700 -6.825 -10.425 436 1HB GLU 54 HB2 GLU 54 -5.766 -4.684 -10.940 437 2HB GLU 54 HB1 GLU 54 -6.123 -4.061 -9.331 438 1HG GLU 54 HG2 GLU 54 -4.103 -4.731 -8.617 439 2HG GLU 54 HG1 GLU 54 -4.512 -6.398 -9.022 440 H GLU 55 HN GLU 55 -7.496 -5.030 -7.442 441 HA GLU 55 HA GLU 55 -5.969 -6.538 -5.619 442 1HB GLU 55 HB2 GLU 55 -8.591 -5.089 -5.439 443 2HB GLU 55 HB1 GLU 55 -8.112 -6.128 -4.096 444 1HG GLU 55 HG2 GLU 55 -6.210 -4.849 -3.613 445 2HG GLU 55 HG1 GLU 55 -6.155 -4.145 -5.229 446 H ASN 56 HN ASN 56 -9.430 -7.103 -6.377 447 HA ASN 56 HA ASN 56 -9.764 -9.623 -5.217 448 1HB ASN 56 HB2 ASN 56 -11.273 -8.065 -6.900 449 2HB ASN 56 HB1 ASN 56 -10.874 -9.424 -7.952 450 1HD2 ASN 56 HD22 ASN 56 -13.016 -10.215 -4.521 451 2HD2 ASN 56 HD21 ASN 56 -11.943 -8.900 -4.535 452 H LEU 57 HN LEU 57 -8.037 -8.851 -8.230 453 HA LEU 57 HA LEU 57 -7.735 -11.477 -9.230 454 1HB LEU 57 HB2 LEU 57 -6.787 -9.374 -10.297 455 2HB LEU 57 HB1 LEU 57 -5.501 -9.425 -9.090 456 HG LEU 57 HG LEU 57 -5.242 -11.917 -9.910 457 1HD1 LEU 57 HD12 LEU 57 -7.204 -10.855 -11.706 458 2HD1 LEU 57 HD11 LEU 57 -5.732 -11.185 -12.619 459 3HD1 LEU 57 HD13 LEU 57 -6.500 -12.471 -11.688 460 1HD2 LEU 57 HD21 LEU 57 -3.949 -9.491 -10.434 461 2HD2 LEU 57 HD23 LEU 57 -3.310 -11.103 -10.756 462 3HD2 LEU 57 HD22 LEU 57 -4.163 -10.224 -12.024 463 H GLY 58 HN GLY 58 -5.444 -9.773 -7.064 464 1HA GLY 58 HA2 GLY 58 -4.005 -12.074 -6.234 465 2HA GLY 58 HA1 GLY 58 -4.227 -10.633 -5.230 466 H ARG 59 HN ARG 59 -7.141 -10.933 -5.519 467 HA ARG 59 HA ARG 59 -8.950 -12.430 -4.845 468 1HB ARG 59 HB2 ARG 59 -7.278 -14.111 -4.356 469 2HB ARG 59 HB1 ARG 59 -6.906 -13.238 -2.887 470 1HG ARG 59 HG2 ARG 59 -8.474 -14.661 -1.963 471 2HG ARG 59 HG1 ARG 59 -9.592 -13.460 -2.611 472 1HD ARG 59 HD2 ARG 59 -9.523 -14.852 -4.788 473 2HD ARG 59 HD1 ARG 59 -8.812 -16.124 -3.795 474 HE ARG 59 HE ARG 59 -11.080 -15.356 -2.389 475 1HH1 ARG 59 HH21 ARG 59 -10.348 -16.402 -5.599 476 2HH1 ARG 59 HH22 ARG 59 -11.890 -17.150 -5.845 477 1HH2 ARG 59 HH11 ARG 59 -13.093 -16.329 -2.698 478 2HH2 ARG 59 HH12 ARG 59 -13.443 -17.107 -4.206 479 H ALA 60 HN ALA 60 -8.215 -9.719 -4.367 480 HA ALA 60 HA ALA 60 -8.717 -7.988 -2.857 481 1HB ALA 60 HB3 ALA 60 -10.219 -10.242 -1.449 482 2HB ALA 60 HB2 ALA 60 -10.309 -8.541 -0.996 483 3HB ALA 60 HB1 ALA 60 -10.928 -9.070 -2.560 484 H TRP 61 HN TRP 61 -6.608 -7.774 -2.241 485 HA TRP 61 HA TRP 61 -4.660 -9.162 -1.231 486 1HB TRP 61 HB2 TRP 61 -4.363 -6.825 -1.005 487 2HB TRP 61 HB1 TRP 61 -5.708 -6.680 0.124 488 HD1 TRP 61 HD1 TRP 61 -2.267 -8.449 -0.034 489 HE1 TRP 61 HE1 TRP 61 -1.246 -8.425 2.334 490 HE3 TRP 61 HE3 TRP 61 -6.069 -6.216 2.542 491 HZ2 TRP 61 HZ2 TRP 61 -1.951 -7.569 4.974 492 HZ3 TRP 61 HZ3 TRP 61 -5.869 -5.808 4.978 493 HH2 TRP 61 HH2 TRP 61 -3.818 -6.482 6.196 494 H ASP 62 HN ASP 62 -5.596 -11.099 -0.627 495 HA ASP 62 HA ASP 62 -6.743 -11.360 2.089 496 1HB ASP 62 HB2 ASP 62 -8.012 -12.389 0.262 497 2HB ASP 62 HB1 ASP 62 -6.573 -13.230 -0.304 498 H VAL 63 HN VAL 63 -4.134 -10.731 2.282 499 HA VAL 63 HA VAL 63 -2.473 -13.165 2.274 500 HB VAL 63 HB VAL 63 -1.838 -10.379 3.261 501 1HG1 VAL 63 HG13 VAL 63 -0.185 -12.833 2.650 502 2HG1 VAL 63 HG12 VAL 63 0.526 -11.220 2.714 503 3HG1 VAL 63 HG11 VAL 63 -0.241 -11.904 4.147 504 1HG2 VAL 63 HG21 VAL 63 -2.543 -10.668 0.792 505 2HG2 VAL 63 HG23 VAL 63 -0.992 -9.886 1.097 506 3HG2 VAL 63 HG22 VAL 63 -1.044 -11.578 0.604 507 H GLN 64 HN GLN 64 -4.827 -12.262 4.262 508 HA GLN 64 HA GLN 64 -3.999 -11.948 6.856 509 1HB GLN 64 HB2 GLN 64 -5.997 -14.074 6.027 510 2HB GLN 64 HB1 GLN 64 -5.918 -13.249 7.584 511 1HG GLN 64 HG2 GLN 64 -6.686 -12.097 4.898 512 2HG GLN 64 HG1 GLN 64 -7.628 -12.114 6.388 513 1HE2 GLN 64 HE22 GLN 64 -5.193 -9.009 5.671 514 2HE2 GLN 64 HE21 GLN 64 -5.591 -10.166 4.496 515 H GLU 65 HN GLU 65 -3.543 -14.834 4.887 516 HA GLU 65 HA GLU 65 -2.728 -16.590 7.008 517 1HB GLU 65 HB2 GLU 65 -2.958 -16.729 4.187 518 2HB GLU 65 HB1 GLU 65 -1.284 -17.134 4.569 519 1HG GLU 65 HG2 GLU 65 -1.907 -18.945 5.945 520 2HG GLU 65 HG1 GLU 65 -3.561 -18.359 6.119 521 H MET 66 HN MET 66 -0.792 -14.652 4.712 522 HA MET 66 HA MET 66 1.689 -15.122 6.167 523 1HB MET 66 HB2 MET 66 0.875 -13.982 3.680 524 2HB MET 66 HB1 MET 66 1.848 -12.792 4.540 525 1HG MET 66 HG2 MET 66 3.582 -13.965 3.595 526 2HG MET 66 HG1 MET 66 3.340 -14.994 5.007 527 1HE MET 66 HE3 MET 66 3.403 -17.139 4.913 528 2HE MET 66 HE2 MET 66 1.648 -17.285 4.873 529 3HE MET 66 HE1 MET 66 2.632 -18.269 3.792 530 H LEU 67 HN LEU 67 -0.966 -13.307 6.867 531 HA LEU 67 HA LEU 67 -0.346 -10.752 7.572 532 1HB LEU 67 HB2 LEU 67 -2.470 -11.998 8.134 533 2HB LEU 67 HB1 LEU 67 -1.637 -12.639 9.552 534 HG LEU 67 HG LEU 67 -1.073 -10.139 10.047 535 1HD1 LEU 67 HD11 LEU 67 -2.529 -9.870 7.647 536 2HD1 LEU 67 HD13 LEU 67 -3.603 -9.294 8.923 537 3HD1 LEU 67 HD12 LEU 67 -2.006 -8.573 8.722 538 1HD2 LEU 67 HD21 LEU 67 -3.410 -11.800 10.596 539 2HD2 LEU 67 HD23 LEU 67 -2.499 -10.760 11.690 540 3HD2 LEU 67 HD22 LEU 67 -3.788 -10.080 10.698 541 H VAL 68 HN VAL 68 1.173 -13.581 8.986 542 HA VAL 68 HA VAL 68 2.114 -12.821 11.440 543 HB VAL 68 HB VAL 68 4.389 -13.801 10.647 544 1HG1 VAL 68 HG13 VAL 68 1.777 -15.324 10.412 545 2HG1 VAL 68 HG12 VAL 68 3.363 -16.089 10.513 546 3HG1 VAL 68 HG11 VAL 68 2.758 -15.133 11.865 547 1HG2 VAL 68 HG21 VAL 68 3.932 -13.226 8.240 548 2HG2 VAL 68 HG23 VAL 68 4.342 -14.922 8.498 549 3HG2 VAL 68 HG22 VAL 68 2.662 -14.450 8.242 550 H ASP 69 HN ASP 69 2.950 -11.330 8.392 551 HA ASP 69 HA ASP 69 5.252 -9.852 9.137 552 1HB ASP 69 HB2 ASP 69 4.537 -8.294 7.316 553 2HB ASP 69 HB1 ASP 69 4.475 -9.985 6.818 554 H VAL 70 HN VAL 70 5.276 -7.439 9.546 555 HA VAL 70 HA VAL 70 3.435 -6.800 11.741 556 HB VAL 70 HB VAL 70 5.535 -5.051 10.422 557 1HG1 VAL 70 HG12 VAL 70 4.056 -4.885 13.062 558 2HG1 VAL 70 HG11 VAL 70 5.450 -3.886 12.647 559 3HG1 VAL 70 HG13 VAL 70 3.957 -3.745 11.720 560 1HG2 VAL 70 HG21 VAL 70 6.000 -7.412 11.727 561 2HG2 VAL 70 HG23 VAL 70 7.132 -6.059 11.704 562 3HG2 VAL 70 HG22 VAL 70 6.036 -6.270 13.070 563 H ILE 71 HN ILE 71 2.285 -4.593 11.700 564 HA ILE 71 HA ILE 71 1.332 -3.946 8.951 565 HB ILE 71 HB ILE 71 -0.940 -3.751 9.893 566 1HG1 ILE 71 HG12 ILE 71 -0.749 -5.197 12.287 567 2HG1 ILE 71 HG11 ILE 71 0.548 -4.004 12.367 568 1HG2 ILE 71 HG22 ILE 71 0.525 -6.133 9.432 569 2HG2 ILE 71 HG21 ILE 71 -0.507 -6.433 10.829 570 3HG2 ILE 71 HG23 ILE 71 -1.219 -5.906 9.304 571 1HD1 ILE 71 HD12 ILE 71 -1.281 -2.332 11.535 572 2HD1 ILE 71 HD11 ILE 71 -2.415 -3.556 12.106 573 3HD1 ILE 71 HD13 ILE 71 -1.277 -2.815 13.231 574 H THR 72 HN THR 72 0.727 -1.736 8.651 575 HA THR 72 HA THR 72 0.848 0.100 10.936 576 HB THR 72 HB THR 72 2.540 1.171 8.829 577 HG1 THR 72 HG1 THR 72 3.807 -0.825 10.286 578 1HG2 THR 72 HG23 THR 72 2.800 0.678 11.800 579 2HG2 THR 72 HG22 THR 72 4.043 1.484 10.843 580 3HG2 THR 72 HG21 THR 72 2.439 2.203 10.990 581 H ILE 73 HN ILE 73 -0.379 1.938 10.579 582 HA ILE 73 HA ILE 73 -1.377 2.405 7.812 583 HB ILE 73 HB ILE 73 -3.263 2.580 10.145 584 1HG1 ILE 73 HG12 ILE 73 -2.226 0.317 10.221 585 2HG1 ILE 73 HG11 ILE 73 -3.928 0.247 9.761 586 1HG2 ILE 73 HG21 ILE 73 -3.788 3.469 7.828 587 2HG2 ILE 73 HG23 ILE 73 -3.708 1.804 7.250 588 3HG2 ILE 73 HG22 ILE 73 -4.930 2.269 8.434 589 1HD1 ILE 73 HD13 ILE 73 -2.296 0.605 7.407 590 2HD1 ILE 73 HD12 ILE 73 -1.727 -0.790 8.323 591 3HD1 ILE 73 HD11 ILE 73 -3.407 -0.710 7.792 592 H GLY 74 HN GLY 74 -2.112 4.611 7.468 593 1HA GLY 74 HA2 GLY 74 -1.945 6.577 9.600 594 2HA GLY 74 HA1 GLY 74 -0.546 6.632 8.532 595 H GLY 75 HN GLY 75 -3.755 5.776 7.454 596 1HA GLY 75 HA2 GLY 75 -4.185 8.451 6.279 597 2HA GLY 75 HA1 GLY 75 -4.077 7.086 5.163 598 H ASN 76 HN ASN 76 -5.788 5.607 5.068 599 HA ASN 76 HA ASN 76 -7.907 5.487 7.017 600 1HB ASN 76 HB2 ASN 76 -8.091 7.729 5.416 601 2HB ASN 76 HB1 ASN 76 -9.103 6.568 4.558 602 1HD2 ASN 76 HD22 ASN 76 -11.716 7.389 6.781 603 2HD2 ASN 76 HD21 ASN 76 -11.186 7.307 5.171 604 H VAL 77 HN VAL 77 -9.975 4.937 4.993 605 HA VAL 77 HA VAL 77 -9.118 3.089 3.027 606 HB VAL 77 HB VAL 77 -8.286 1.762 4.931 607 1HG1 VAL 77 HG12 VAL 77 -10.518 2.781 6.239 608 2HG1 VAL 77 HG11 VAL 77 -10.920 1.080 6.001 609 3HG1 VAL 77 HG13 VAL 77 -9.445 1.526 6.858 610 1HG2 VAL 77 HG21 VAL 77 -10.646 0.816 3.334 611 2HG2 VAL 77 HG23 VAL 77 -8.957 0.319 3.227 612 3HG2 VAL 77 HG22 VAL 77 -9.961 -0.250 4.561 613 H ASP 78 HN ASP 78 -10.884 4.150 1.974 614 HA ASP 78 HA ASP 78 -13.577 3.453 3.063 615 1HB ASP 78 HB2 ASP 78 -13.816 5.324 0.929 616 2HB ASP 78 HB1 ASP 78 -14.154 5.577 2.637 617 H GLU 79 HN GLU 79 -14.807 2.065 1.923 618 HA GLU 79 HA GLU 79 -14.067 1.537 -0.925 619 1HB GLU 79 HB2 GLU 79 -13.591 -0.257 1.058 620 2HB GLU 79 HB1 GLU 79 -15.244 -0.701 0.629 621 1HG GLU 79 HG2 GLU 79 -13.808 -0.247 -1.796 622 2HG GLU 79 HG1 GLU 79 -12.832 -1.310 -0.781 623 H ASP 80 HN ASP 80 -15.852 1.137 -2.314 624 HA ASP 80 HA ASP 80 -18.487 1.842 -1.102 625 1HB ASP 80 HB2 ASP 80 -18.998 2.148 -3.698 626 2HB ASP 80 HB1 ASP 80 -18.205 3.420 -2.770 627 H ASP 81 HN ASP 81 -18.438 0.433 -4.271 628 HA ASP 81 HA ASP 81 -19.646 -2.033 -3.108 629 1HB ASP 81 HB2 ASP 81 -20.084 -0.528 -5.676 630 2HB ASP 81 HB1 ASP 81 -20.484 -2.243 -5.581 631 H ASP 82 HN ASP 82 -17.652 -0.984 -5.900 632 HA ASP 82 HA ASP 82 -16.118 -3.532 -5.587 633 1HB ASP 82 HB2 ASP 82 -17.621 -2.548 -7.915 634 2HB ASP 82 HB1 ASP 82 -15.941 -2.939 -8.287 635 H ARG 83 HN ARG 83 -16.211 -0.252 -6.919 636 HA ARG 83 HA ARG 83 -13.490 0.072 -7.577 637 1HB ARG 83 HB2 ARG 83 -15.699 1.899 -6.707 638 2HB ARG 83 HB1 ARG 83 -14.061 2.539 -6.766 639 1HG ARG 83 HG2 ARG 83 -14.847 2.969 -8.935 640 2HG ARG 83 HG1 ARG 83 -13.984 1.443 -9.140 641 1HD ARG 83 HD2 ARG 83 -15.954 0.192 -9.269 642 2HD ARG 83 HD1 ARG 83 -16.900 1.412 -8.415 643 HE ARG 83 HE ARG 83 -16.150 2.688 -10.753 644 1HH1 ARG 83 HH21 ARG 83 -17.664 -0.305 -9.926 645 2HH1 ARG 83 HH22 ARG 83 -18.628 -0.363 -11.363 646 1HH2 ARG 83 HH11 ARG 83 -17.409 2.624 -12.629 647 2HH2 ARG 83 HH12 ARG 83 -18.486 1.292 -12.889 648 H PHE 84 HN PHE 84 -12.305 1.984 -6.067 649 HA PHE 84 HA PHE 84 -12.438 1.383 -3.212 650 1HB PHE 84 HB2 PHE 84 -11.146 -0.549 -3.839 651 2HB PHE 84 HB1 PHE 84 -10.110 0.417 -4.889 652 HD1 PHE 84 HD2 PHE 84 -11.361 0.950 -1.395 653 HD2 PHE 84 HD1 PHE 84 -7.959 0.498 -3.978 654 HE1 PHE 84 HE2 PHE 84 -9.850 1.410 0.516 655 HE2 PHE 84 HE1 PHE 84 -6.447 0.960 -2.067 656 HZ PHE 84 HZ PHE 84 -7.392 1.415 0.180 657 H VAL 85 HN VAL 85 -11.423 3.054 -2.015 658 HA VAL 85 HA VAL 85 -9.655 4.926 -3.469 659 HB VAL 85 HB VAL 85 -11.922 5.759 -3.954 660 1HG1 VAL 85 HG11 VAL 85 -12.428 4.892 -1.319 661 2HG1 VAL 85 HG13 VAL 85 -12.586 6.648 -1.278 662 3HG1 VAL 85 HG12 VAL 85 -13.559 5.702 -2.403 663 1HG2 VAL 85 HG22 VAL 85 -10.036 7.263 -2.184 664 2HG2 VAL 85 HG21 VAL 85 -10.500 7.584 -3.855 665 3HG2 VAL 85 HG23 VAL 85 -11.598 8.001 -2.540 666 H LEU 86 HN LEU 86 -8.314 6.098 -2.099 667 HA LEU 86 HA LEU 86 -8.765 5.944 0.843 668 1HB LEU 86 HB2 LEU 86 -7.336 3.996 0.099 669 2HB LEU 86 HB1 LEU 86 -6.165 5.157 -0.510 670 HG LEU 86 HG LEU 86 -5.873 4.127 1.890 671 1HD1 LEU 86 HD12 LEU 86 -5.435 6.936 0.961 672 2HD1 LEU 86 HD11 LEU 86 -5.081 6.541 2.639 673 3HD1 LEU 86 HD13 LEU 86 -4.257 5.683 1.339 674 1HD2 LEU 86 HD21 LEU 86 -7.898 6.322 2.351 675 2HD2 LEU 86 HD23 LEU 86 -8.038 4.631 2.808 676 3HD2 LEU 86 HD22 LEU 86 -6.869 5.676 3.611 677 H GLU 87 HN GLU 87 -8.177 7.910 1.760 678 HA GLU 87 HA GLU 87 -6.449 9.740 0.186 679 1HB GLU 87 HB2 GLU 87 -8.629 10.697 2.010 680 2HB GLU 87 HB1 GLU 87 -7.831 11.544 0.696 681 1HG GLU 87 HG2 GLU 87 -9.625 10.974 -0.558 682 2HG GLU 87 HG1 GLU 87 -8.906 9.364 -0.595 683 H TRP 88 HN TRP 88 -7.029 11.537 2.690 684 HA TRP 88 HA TRP 88 -4.735 10.481 4.204 685 1HB TRP 88 HB2 TRP 88 -4.570 12.824 3.748 686 2HB TRP 88 HB1 TRP 88 -6.194 13.127 4.359 687 HD1 TRP 88 HD1 TRP 88 -4.094 10.683 6.278 688 HE1 TRP 88 HE1 TRP 88 -3.352 11.733 8.515 689 HE3 TRP 88 HE3 TRP 88 -5.534 15.527 5.508 690 HZ2 TRP 88 HZ2 TRP 88 -3.366 14.284 9.805 691 HZ3 TRP 88 HZ3 TRP 88 -5.158 17.242 7.258 692 HH2 TRP 88 HH2 TRP 88 -4.077 16.627 9.403 693 H LYS 89 HN LYS 89 -7.164 12.399 5.816 694 HA LYS 89 HA LYS 89 -8.621 11.910 7.581 695 1HB LYS 89 HB2 LYS 89 -8.348 9.024 6.701 696 2HB LYS 89 HB1 LYS 89 -9.636 9.716 7.685 697 1HG LYS 89 HG2 LYS 89 -9.534 11.307 5.366 698 2HG LYS 89 HG1 LYS 89 -9.395 9.642 4.801 699 1HD LYS 89 HD2 LYS 89 -11.673 9.676 4.961 700 2HD LYS 89 HD1 LYS 89 -11.351 9.356 6.665 701 1HE LYS 89 HE2 LYS 89 -12.428 11.273 7.148 702 2HE LYS 89 HE1 LYS 89 -11.094 12.138 6.385 703 1HZ LYS 89 HZ2 LYS 89 -12.723 11.146 4.357 704 2HZ LYS 89 HZ1 LYS 89 -13.746 11.881 5.497 705 3HZ LYS 89 HZ3 LYS 89 -12.480 12.768 4.800 706 H ASN 90 HN ASN 90 -8.525 11.002 9.768 707 HA ASN 90 HA ASN 90 -5.837 10.826 10.775 708 1HB ASN 90 HB2 ASN 90 -8.091 11.515 11.961 709 2HB ASN 90 HB1 ASN 90 -8.184 9.794 12.336 710 1HD2 ASN 90 HD22 ASN 90 -6.212 10.589 15.178 711 2HD2 ASN 90 HD21 ASN 90 -7.742 10.108 14.622 No H/Q in entry = 711 Start of MODEL 12 1 1H MET 1 HT2 MET 1 -0.399 19.521 -5.023 2 2H MET 1 HT1 MET 1 0.682 18.799 -6.118 3 3H MET 1 HT3 MET 1 -0.974 18.440 -6.201 4 HA MET 1 HA MET 1 -0.917 16.988 -4.492 5 1HB MET 1 HB2 MET 1 1.987 17.121 -5.360 6 2HB MET 1 HB1 MET 1 1.272 15.788 -4.453 7 1HG MET 1 HG2 MET 1 0.693 14.877 -6.432 8 2HG MET 1 HG1 MET 1 -0.469 16.192 -6.610 9 1HE MET 1 HE1 MET 1 -0.611 16.339 -8.901 10 2HE MET 1 HE3 MET 1 -0.311 18.023 -8.449 11 3HE MET 1 HE2 MET 1 0.461 17.340 -9.878 12 H SER 2 HN SER 2 0.035 16.355 -2.344 13 HA SER 2 HA SER 2 1.879 17.963 -0.913 14 1HB SER 2 HB2 SER 2 0.635 19.601 0.151 15 2HB SER 2 HB1 SER 2 -0.206 19.546 -1.395 16 HG SER 2 HG SER 2 -0.981 18.634 1.119 17 H SER 3 HN SER 3 -1.021 15.967 -0.838 18 HA SER 3 HA SER 3 -0.630 15.125 1.925 19 1HB SER 3 HB2 SER 3 -2.355 14.060 -0.331 20 2HB SER 3 HB1 SER 3 -2.339 13.347 1.279 21 HG SER 3 HG SER 3 -2.996 16.024 0.576 22 H LEU 4 HN LEU 4 0.119 12.992 2.584 23 HA LEU 4 HA LEU 4 1.343 11.294 0.529 24 1HB LEU 4 HB2 LEU 4 3.427 11.194 2.021 25 2HB LEU 4 HB1 LEU 4 3.260 12.563 0.936 26 HG LEU 4 HG LEU 4 2.147 13.786 2.892 27 1HD1 LEU 4 HD11 LEU 4 2.838 11.185 4.108 28 2HD1 LEU 4 HD13 LEU 4 3.313 12.588 5.065 29 3HD1 LEU 4 HD12 LEU 4 1.626 12.369 4.598 30 1HD2 LEU 4 HD22 LEU 4 4.992 13.102 2.499 31 2HD2 LEU 4 HD21 LEU 4 4.232 14.683 2.684 32 3HD2 LEU 4 HD23 LEU 4 4.612 13.715 4.108 33 H VAL 5 HN VAL 5 1.768 9.188 1.250 34 HA VAL 5 HA VAL 5 0.353 8.492 3.820 35 HB VAL 5 HB VAL 5 0.850 6.620 1.502 36 1HG1 VAL 5 HG12 VAL 5 -0.900 6.685 3.935 37 2HG1 VAL 5 HG11 VAL 5 -1.392 5.749 2.525 38 3HG1 VAL 5 HG13 VAL 5 0.129 5.382 3.338 39 1HG2 VAL 5 HG21 VAL 5 -0.374 8.737 0.806 40 2HG2 VAL 5 HG23 VAL 5 -1.254 7.230 0.549 41 3HG2 VAL 5 HG22 VAL 5 -1.650 8.260 1.926 42 H TYR 6 HN TYR 6 1.220 6.221 4.592 43 HA TYR 6 HA TYR 6 4.134 5.978 4.106 44 1HB TYR 6 HB2 TYR 6 4.221 7.352 6.031 45 2HB TYR 6 HB1 TYR 6 2.832 6.557 6.763 46 HD1 TYR 6 HD1 TYR 6 3.041 4.318 7.777 47 HD2 TYR 6 HD2 TYR 6 6.444 6.375 6.151 48 HE1 TYR 6 HE1 TYR 6 4.554 2.743 8.951 49 HE2 TYR 6 HE2 TYR 6 7.957 4.799 7.325 50 HH TYR 6 HH TYR 6 7.879 3.305 9.302 51 H ILE 7 HN ILE 7 4.780 3.837 4.185 52 HA ILE 7 HA ILE 7 3.101 1.813 5.506 53 HB ILE 7 HB ILE 7 2.547 0.601 3.502 54 1HG1 ILE 7 HG12 ILE 7 4.434 2.581 2.203 55 2HG1 ILE 7 HG11 ILE 7 4.525 0.820 2.185 56 1HG2 ILE 7 HG23 ILE 7 1.111 2.586 4.016 57 2HG2 ILE 7 HG22 ILE 7 2.104 3.550 2.927 58 3HG2 ILE 7 HG21 ILE 7 1.150 2.208 2.297 59 1HD1 ILE 7 HD11 ILE 7 2.131 1.093 1.023 60 2HD1 ILE 7 HD13 ILE 7 2.820 2.650 0.562 61 3HD1 ILE 7 HD12 ILE 7 3.628 1.155 0.091 62 H ALA 8 HN ALA 8 4.257 -0.288 5.563 63 HA ALA 8 HA ALA 8 6.885 -0.457 4.307 64 1HB ALA 8 HB2 ALA 8 6.671 0.105 7.271 65 2HB ALA 8 HB1 ALA 8 8.112 -0.586 6.523 66 3HB ALA 8 HB3 ALA 8 7.566 1.026 6.062 67 H PHE 9 HN PHE 9 7.604 -2.577 4.285 68 HA PHE 9 HA PHE 9 6.220 -4.504 6.066 69 1HB PHE 9 HB2 PHE 9 6.250 -5.975 3.839 70 2HB PHE 9 HB1 PHE 9 4.893 -4.920 4.219 71 HD1 PHE 9 HD2 PHE 9 5.080 -2.454 3.359 72 HD2 PHE 9 HD1 PHE 9 7.370 -5.739 1.822 73 HE1 PHE 9 HE2 PHE 9 5.510 -1.178 1.285 74 HE2 PHE 9 HE1 PHE 9 7.807 -4.468 -0.254 75 HZ PHE 9 HZ PHE 9 6.876 -2.183 -0.532 76 H GLN 10 HN GLN 10 7.330 -6.817 5.078 77 HA GLN 10 HA GLN 10 10.213 -6.444 4.689 78 1HB GLN 10 HB2 GLN 10 9.615 -6.319 7.254 79 2HB GLN 10 HB1 GLN 10 9.437 -8.068 7.098 80 1HG GLN 10 HG2 GLN 10 11.888 -6.637 6.075 81 2HG GLN 10 HG1 GLN 10 11.769 -7.168 7.751 82 1HE2 GLN 10 HE22 GLN 10 12.105 -9.965 4.770 83 2HE2 GLN 10 HE21 GLN 10 11.627 -8.386 4.384 84 H ASP 11 HN ASP 11 9.929 -7.656 2.836 85 HA ASP 11 HA ASP 11 8.952 -10.459 3.183 86 1HB ASP 11 HB2 ASP 11 9.321 -8.933 0.589 87 2HB ASP 11 HB1 ASP 11 8.481 -10.468 0.813 88 H ASN 12 HN ASN 12 10.154 -11.713 1.080 89 HA ASN 12 HA ASN 12 12.888 -11.974 2.003 90 1HB ASN 12 HB2 ASN 12 11.655 -13.905 1.107 91 2HB ASN 12 HB1 ASN 12 11.536 -13.112 -0.464 92 1HD2 ASN 12 HD22 ASN 12 14.507 -14.900 -1.252 93 2HD2 ASN 12 HD21 ASN 12 12.838 -14.773 -1.530 94 H ASP 13 HN ASP 13 12.694 -12.018 -1.445 95 HA ASP 13 HA ASP 13 13.760 -9.258 -1.654 96 1HB ASP 13 HB2 ASP 13 15.649 -10.218 -3.113 97 2HB ASP 13 HB1 ASP 13 15.804 -10.433 -1.369 98 H ASN 14 HN ASN 14 11.576 -11.392 -2.743 99 HA ASN 14 HA ASN 14 11.892 -10.672 -5.615 100 1HB ASN 14 HB2 ASN 14 11.503 -13.088 -4.910 101 2HB ASN 14 HB1 ASN 14 9.885 -12.592 -4.410 102 1HD2 ASN 14 HD22 ASN 14 8.881 -13.326 -7.729 103 2HD2 ASN 14 HD21 ASN 14 8.745 -13.743 -6.089 104 H ALA 15 HN ALA 15 9.268 -10.896 -3.182 105 HA ALA 15 HA ALA 15 7.418 -9.306 -4.645 106 1HB ALA 15 HB3 ALA 15 7.703 -10.128 -1.786 107 2HB ALA 15 HB2 ALA 15 6.561 -8.841 -2.174 108 3HB ALA 15 HB1 ALA 15 6.380 -10.433 -2.911 109 H ARG 16 HN ARG 16 9.875 -8.399 -2.251 110 HA ARG 16 HA ARG 16 9.112 -5.633 -2.142 111 1HB ARG 16 HB2 ARG 16 11.057 -5.309 -0.876 112 2HB ARG 16 HB1 ARG 16 10.677 -7.003 -0.573 113 1HG ARG 16 HG2 ARG 16 12.296 -7.703 -2.271 114 2HG ARG 16 HG1 ARG 16 12.638 -6.017 -2.667 115 1HD ARG 16 HD2 ARG 16 12.889 -6.583 0.190 116 2HD ARG 16 HD1 ARG 16 13.999 -7.541 -0.786 117 HE ARG 16 HE ARG 16 14.318 -4.790 -0.165 118 1HH1 ARG 16 HH21 ARG 16 14.369 -6.873 -2.931 119 2HH1 ARG 16 HH22 ARG 16 15.233 -5.742 -3.913 120 1HH2 ARG 16 HH11 ARG 16 15.456 -3.332 -1.436 121 2HH2 ARG 16 HH12 ARG 16 15.851 -3.746 -3.071 122 H TYR 17 HN TYR 17 11.303 -7.466 -4.229 123 HA TYR 17 HA TYR 17 12.502 -5.233 -5.556 124 1HB TYR 17 HB2 TYR 17 13.059 -7.798 -5.667 125 2HB TYR 17 HB1 TYR 17 11.892 -7.806 -6.988 126 HD1 TYR 17 HD1 TYR 17 14.865 -5.864 -5.775 127 HD2 TYR 17 HD2 TYR 17 12.617 -7.299 -9.142 128 HE1 TYR 17 HE1 TYR 17 16.591 -4.962 -7.312 129 HE2 TYR 17 HE2 TYR 17 14.340 -6.396 -10.679 130 HH TYR 17 HH TYR 17 16.429 -4.167 -9.993 131 H VAL 18 HN VAL 18 9.580 -7.142 -6.288 132 HA VAL 18 HA VAL 18 8.881 -5.860 -8.715 133 HB VAL 18 HB VAL 18 7.173 -7.079 -6.531 134 1HG1 VAL 18 HG13 VAL 18 6.432 -5.717 -9.097 135 2HG1 VAL 18 HG12 VAL 18 5.509 -7.134 -8.594 136 3HG1 VAL 18 HG11 VAL 18 5.589 -5.717 -7.548 137 1HG2 VAL 18 HG21 VAL 18 8.767 -8.496 -7.934 138 2HG2 VAL 18 HG23 VAL 18 7.071 -8.977 -7.996 139 3HG2 VAL 18 HG22 VAL 18 7.779 -8.066 -9.330 140 H VAL 19 HN VAL 19 7.792 -5.079 -5.389 141 HA VAL 19 HA VAL 19 6.384 -2.703 -6.128 142 HB VAL 19 HB VAL 19 7.674 -3.562 -3.527 143 1HG1 VAL 19 HG11 VAL 19 6.231 -1.041 -4.293 144 2HG1 VAL 19 HG13 VAL 19 6.013 -1.699 -2.671 145 3HG1 VAL 19 HG12 VAL 19 7.624 -1.249 -3.231 146 1HG2 VAL 19 HG21 VAL 19 4.960 -3.731 -4.784 147 2HG2 VAL 19 HG23 VAL 19 5.818 -4.926 -3.812 148 3HG2 VAL 19 HG22 VAL 19 5.056 -3.539 -3.033 149 H GLU 20 HN GLU 20 9.767 -3.380 -5.692 150 HA GLU 20 HA GLU 20 10.663 -0.688 -5.224 151 1HB GLU 20 HB2 GLU 20 12.160 -2.547 -4.787 152 2HB GLU 20 HB1 GLU 20 12.061 -3.075 -6.466 153 1HG GLU 20 HG2 GLU 20 12.858 -0.268 -6.203 154 2HG GLU 20 HG1 GLU 20 13.990 -1.381 -5.434 155 H ALA 21 HN ALA 21 10.411 -2.631 -8.220 156 HA ALA 21 HA ALA 21 11.279 -0.546 -9.976 157 1HB ALA 21 HB2 ALA 21 9.439 -2.904 -10.488 158 2HB ALA 21 HB1 ALA 21 10.134 -1.886 -11.749 159 3HB ALA 21 HB3 ALA 21 11.186 -2.867 -10.729 160 H ILE 22 HN ILE 22 8.078 -1.441 -8.738 161 HA ILE 22 HA ILE 22 6.540 0.321 -10.363 162 HB ILE 22 HB ILE 22 6.069 -0.670 -7.537 163 1HG1 ILE 22 HG12 ILE 22 4.867 -1.558 -10.177 164 2HG1 ILE 22 HG11 ILE 22 6.229 -2.365 -9.400 165 1HG2 ILE 22 HG21 ILE 22 4.821 1.463 -8.252 166 2HG2 ILE 22 HG23 ILE 22 3.996 0.445 -9.432 167 3HG2 ILE 22 HG22 ILE 22 3.829 0.110 -7.709 168 1HD1 ILE 22 HD11 ILE 22 4.087 -1.949 -7.498 169 2HD1 ILE 22 HD13 ILE 22 3.495 -2.821 -8.912 170 3HD1 ILE 22 HD12 ILE 22 4.857 -3.458 -7.990 171 H ILE 23 HN ILE 23 8.012 0.826 -7.147 172 HA ILE 23 HA ILE 23 7.125 3.456 -6.688 173 HB ILE 23 HB ILE 23 9.700 2.047 -5.960 174 1HG1 ILE 23 HG12 ILE 23 7.312 2.987 -4.341 175 2HG1 ILE 23 HG11 ILE 23 7.593 1.327 -4.868 176 1HG2 ILE 23 HG23 ILE 23 10.114 4.503 -6.174 177 2HG2 ILE 23 HG22 ILE 23 8.800 4.793 -5.034 178 3HG2 ILE 23 HG21 ILE 23 10.249 3.934 -4.510 179 1HD1 ILE 23 HD12 ILE 23 9.974 2.267 -3.592 180 2HD1 ILE 23 HD11 ILE 23 8.608 2.626 -2.536 181 3HD1 ILE 23 HD13 ILE 23 8.897 0.971 -3.072 182 H GLN 24 HN GLN 24 10.133 2.426 -8.342 183 HA GLN 24 HA GLN 24 10.939 5.045 -9.115 184 1HB GLN 24 HB2 GLN 24 11.644 2.291 -9.832 185 2HB GLN 24 HB1 GLN 24 11.765 3.394 -11.202 186 1HG GLN 24 HG2 GLN 24 13.878 3.230 -9.848 187 2HG GLN 24 HG1 GLN 24 13.236 4.868 -9.963 188 1HE2 GLN 24 HE22 GLN 24 12.968 2.890 -6.365 189 2HE2 GLN 24 HE21 GLN 24 13.116 1.989 -7.796 190 H ASP 25 HN ASP 25 8.566 2.818 -10.476 191 HA ASP 25 HA ASP 25 8.161 3.863 -13.034 192 1HB ASP 25 HB2 ASP 25 6.746 2.145 -11.442 193 2HB ASP 25 HB1 ASP 25 5.671 3.544 -11.459 194 H ASN 26 HN ASN 26 7.101 5.155 -9.912 195 HA ASN 26 HA ASN 26 6.164 7.638 -11.241 196 1HB ASN 26 HB2 ASN 26 6.090 7.000 -8.284 197 2HB ASN 26 HB1 ASN 26 5.102 8.155 -9.172 198 1HD2 ASN 26 HD22 ASN 26 4.047 4.215 -9.122 199 2HD2 ASN 26 HD21 ASN 26 5.523 4.719 -8.452 200 HA PRO 27 HA PRO 27 10.081 9.253 -10.017 201 1HB PRO 27 HB2 PRO 27 9.435 11.857 -11.061 202 2HB PRO 27 HB1 PRO 27 10.479 10.623 -11.779 203 1HG PRO 27 HG2 PRO 27 7.858 11.418 -12.647 204 2HG PRO 27 HG1 PRO 27 8.894 10.163 -13.340 205 1HD PRO 27 HD2 PRO 27 6.491 9.817 -11.787 206 2HD PRO 27 HD1 PRO 27 7.521 8.562 -12.499 207 H HIS 28 HN HIS 28 8.186 9.173 -7.957 208 HA HIS 28 HA HIS 28 8.864 11.638 -6.501 209 1HB HIS 28 HB2 HIS 28 6.625 11.851 -7.831 210 2HB HIS 28 HB1 HIS 28 5.982 10.810 -6.565 211 HD1 HIS 28 HD1 HIS 28 6.770 11.744 -4.007 212 HD2 HIS 28 HD2 HIS 28 6.437 14.508 -7.111 213 HE1 HIS 28 HE1 HIS 28 6.543 14.020 -2.919 214 H ALA 29 HN ALA 29 6.845 8.682 -6.381 215 HA ALA 29 HA ALA 29 6.596 8.266 -3.675 216 1HB ALA 29 HB2 ALA 29 6.924 6.466 -6.001 217 2HB ALA 29 HB1 ALA 29 7.273 5.735 -4.434 218 3HB ALA 29 HB3 ALA 29 5.694 6.460 -4.737 219 H VAL 30 HN VAL 30 7.911 7.647 -1.966 220 HA VAL 30 HA VAL 30 10.788 8.006 -2.336 221 HB VAL 30 HB VAL 30 9.280 8.646 -0.277 222 1HG1 VAL 30 HG12 VAL 30 9.968 5.747 0.294 223 2HG1 VAL 30 HG11 VAL 30 9.450 6.896 1.524 224 3HG1 VAL 30 HG13 VAL 30 8.358 6.460 0.210 225 1HG2 VAL 30 HG23 VAL 30 12.045 8.126 -0.658 226 2HG2 VAL 30 HG22 VAL 30 11.301 9.197 0.530 227 3HG2 VAL 30 HG21 VAL 30 11.623 7.513 0.941 228 H VAL 31 HN VAL 31 11.949 6.105 -0.699 229 HA VAL 31 HA VAL 31 11.191 3.545 -2.024 230 HB VAL 31 HB VAL 31 13.670 3.026 -1.891 231 1HG1 VAL 31 HG12 VAL 31 12.312 4.057 -3.884 232 2HG1 VAL 31 HG11 VAL 31 13.257 5.502 -3.525 233 3HG1 VAL 31 HG13 VAL 31 14.073 4.001 -3.966 234 1HG2 VAL 31 HG23 VAL 31 14.147 4.777 -0.156 235 2HG2 VAL 31 HG22 VAL 31 15.211 4.873 -1.560 236 3HG2 VAL 31 HG21 VAL 31 13.868 6.004 -1.391 237 H GLN 32 HN GLN 32 13.174 2.050 -0.490 238 HA GLN 32 HA GLN 32 11.855 2.149 2.183 239 1HB GLN 32 HB2 GLN 32 13.316 -0.251 1.113 240 2HB GLN 32 HB1 GLN 32 11.992 -0.186 2.272 241 1HG GLN 32 HG2 GLN 32 10.610 -0.658 0.553 242 2HG GLN 32 HG1 GLN 32 10.930 0.976 -0.030 243 1HE2 GLN 32 HE22 GLN 32 12.307 -0.407 -2.962 244 2HE2 GLN 32 HE21 GLN 32 11.213 0.692 -2.271 245 H HIS 33 HN HIS 33 13.841 0.242 3.248 246 HA HIS 33 HA HIS 33 16.014 2.217 3.715 247 1HB HIS 33 HB2 HIS 33 14.888 1.364 5.716 248 2HB HIS 33 HB1 HIS 33 15.255 -0.294 5.240 249 HD1 HIS 33 HD1 HIS 33 18.039 1.823 4.353 250 HD2 HIS 33 HD2 HIS 33 16.784 -0.070 7.848 251 HE1 HIS 33 HE1 HIS 33 20.048 1.761 5.895 252 H HIS 34 HN HIS 34 16.565 -1.187 4.296 253 HA HIS 34 HA HIS 34 17.940 -1.663 1.776 254 1HB HIS 34 HB2 HIS 34 19.369 -0.475 4.015 255 2HB HIS 34 HB1 HIS 34 20.052 -2.036 3.568 256 HD1 HIS 34 HD1 HIS 34 19.467 -1.893 0.498 257 HD2 HIS 34 HD2 HIS 34 21.210 1.179 2.713 258 HE1 HIS 34 HE1 HIS 34 20.756 -0.463 -1.149 259 HA PRO 35 HA PRO 35 18.892 -5.385 4.689 260 1HB PRO 35 HB2 PRO 35 17.376 -4.974 7.108 261 2HB PRO 35 HB1 PRO 35 19.116 -5.246 6.937 262 1HG PRO 35 HG2 PRO 35 17.785 -2.789 7.603 263 2HG PRO 35 HG1 PRO 35 19.521 -3.059 7.397 264 1HD PRO 35 HD2 PRO 35 17.746 -1.631 5.647 265 2HD PRO 35 HD1 PRO 35 19.481 -1.926 5.434 266 H ALA 36 HN ALA 36 17.161 -7.050 5.689 267 HA ALA 36 HA ALA 36 15.165 -7.535 3.850 268 1HB ALA 36 HB2 ALA 36 15.918 -8.719 6.191 269 2HB ALA 36 HB1 ALA 36 14.322 -8.107 6.623 270 3HB ALA 36 HB3 ALA 36 14.505 -9.201 5.252 271 H MET 37 HN MET 37 14.956 -5.347 6.636 272 HA MET 37 HA MET 37 12.141 -4.842 6.437 273 1HB MET 37 HB2 MET 37 14.461 -3.260 7.556 274 2HB MET 37 HB1 MET 37 12.820 -2.615 7.567 275 1HG MET 37 HG2 MET 37 12.071 -4.700 8.746 276 2HG MET 37 HG1 MET 37 13.761 -5.194 8.852 277 1HE MET 37 HE2 MET 37 15.395 -4.478 10.130 278 2HE MET 37 HE1 MET 37 15.567 -2.767 9.748 279 3HE MET 37 HE3 MET 37 15.401 -3.289 11.430 280 H ILE 38 HN ILE 38 11.014 -3.264 5.263 281 HA ILE 38 HA ILE 38 12.567 -1.522 3.442 282 HB ILE 38 HB ILE 38 11.217 -2.261 1.488 283 1HG1 ILE 38 HG12 ILE 38 10.183 -4.258 3.516 284 2HG1 ILE 38 HG11 ILE 38 9.241 -3.130 2.540 285 1HG2 ILE 38 HG23 ILE 38 12.771 -4.423 2.948 286 2HG2 ILE 38 HG22 ILE 38 12.316 -4.507 1.247 287 3HG2 ILE 38 HG21 ILE 38 13.422 -3.251 1.801 288 1HD1 ILE 38 HD11 ILE 38 10.926 -5.374 1.392 289 2HD1 ILE 38 HD13 ILE 38 9.189 -5.483 1.666 290 3HD1 ILE 38 HD12 ILE 38 9.825 -4.320 0.505 291 H ARG 39 HN ARG 39 11.745 0.432 4.042 292 HA ARG 39 HA ARG 39 8.890 0.670 4.772 293 1HB ARG 39 HB2 ARG 39 11.018 2.827 4.696 294 2HB ARG 39 HB1 ARG 39 9.457 2.906 5.512 295 1HG ARG 39 HG2 ARG 39 10.195 0.898 6.880 296 2HG ARG 39 HG1 ARG 39 11.807 1.130 6.202 297 1HD ARG 39 HD2 ARG 39 11.037 3.675 7.052 298 2HD ARG 39 HD1 ARG 39 10.470 2.605 8.332 299 HE ARG 39 HE ARG 39 13.159 3.387 7.948 300 1HH1 ARG 39 HH21 ARG 39 11.329 0.473 8.364 301 2HH1 ARG 39 HH22 ARG 39 12.712 -0.466 8.804 302 1HH2 ARG 39 HH11 ARG 39 14.939 2.164 8.548 303 2HH2 ARG 39 HH12 ARG 39 14.740 0.485 8.921 304 H ILE 40 HN ILE 40 7.832 2.795 3.854 305 HA ILE 40 HA ILE 40 8.639 3.549 1.154 306 HB ILE 40 HB ILE 40 6.198 1.802 1.596 307 1HG1 ILE 40 HG12 ILE 40 8.725 1.559 -0.056 308 2HG1 ILE 40 HG11 ILE 40 8.175 0.489 1.233 309 1HG2 ILE 40 HG21 ILE 40 7.018 3.477 -0.793 310 2HG2 ILE 40 HG23 ILE 40 5.792 2.212 -0.854 311 3HG2 ILE 40 HG22 ILE 40 5.540 3.636 0.155 312 1HD1 ILE 40 HD11 ILE 40 6.185 -0.096 -0.157 313 2HD1 ILE 40 HD13 ILE 40 6.848 0.885 -1.464 314 3HD1 ILE 40 HD12 ILE 40 7.708 -0.554 -0.918 315 H GLU 41 HN GLU 41 6.972 5.115 0.225 316 HA GLU 41 HA GLU 41 5.201 6.350 2.289 317 1HB GLU 41 HB2 GLU 41 7.689 7.369 1.936 318 2HB GLU 41 HB1 GLU 41 6.848 8.213 0.638 319 1HG GLU 41 HG2 GLU 41 6.594 9.647 2.492 320 2HG GLU 41 HG1 GLU 41 5.067 8.773 2.432 321 H ALA 42 HN ALA 42 3.857 8.127 1.175 322 HA ALA 42 HA ALA 42 3.470 7.601 -1.720 323 1HB ALA 42 HB2 ALA 42 1.882 6.295 0.001 324 2HB ALA 42 HB1 ALA 42 1.010 7.825 -0.065 325 3HB ALA 42 HB3 ALA 42 1.288 6.908 -1.542 326 H GLU 43 HN GLU 43 1.272 9.162 -2.153 327 HA GLU 43 HA GLU 43 1.820 11.815 -0.945 328 1HB GLU 43 HB2 GLU 43 1.671 12.741 -3.355 329 2HB GLU 43 HB1 GLU 43 3.188 11.998 -2.846 330 1HG GLU 43 HG2 GLU 43 1.198 10.125 -3.977 331 2HG GLU 43 HG1 GLU 43 1.852 11.301 -5.119 332 H LYS 44 HN LYS 44 -0.385 11.456 0.027 333 HA LYS 44 HA LYS 44 -2.633 12.081 -0.007 334 1HB LYS 44 HB2 LYS 44 -3.493 13.228 -1.782 335 2HB LYS 44 HB1 LYS 44 -1.829 13.239 -2.353 336 1HG LYS 44 HG2 LYS 44 -2.528 10.893 -3.398 337 2HG LYS 44 HG1 LYS 44 -4.147 11.579 -3.276 338 1HD LYS 44 HD2 LYS 44 -3.778 13.048 -4.960 339 2HD LYS 44 HD1 LYS 44 -2.166 13.453 -4.368 340 1HE LYS 44 HE2 LYS 44 -2.509 10.732 -5.519 341 2HE LYS 44 HE1 LYS 44 -2.565 12.080 -6.655 342 1HZ LYS 44 HZ2 LYS 44 -0.476 12.701 -5.045 343 2HZ LYS 44 HZ1 LYS 44 -0.337 11.014 -5.194 344 3HZ LYS 44 HZ3 LYS 44 -0.355 11.989 -6.582 345 H ARG 45 HN ARG 45 -4.682 11.029 -1.193 346 HA ARG 45 HA ARG 45 -4.386 8.534 -2.377 347 1HB ARG 45 HB2 ARG 45 -3.899 8.471 0.466 348 2HB ARG 45 HB1 ARG 45 -5.258 7.436 0.027 349 1HG ARG 45 HG2 ARG 45 -2.655 7.340 -1.495 350 2HG ARG 45 HG1 ARG 45 -2.927 6.364 -0.052 351 1HD ARG 45 HD2 ARG 45 -5.003 5.456 -1.133 352 2HD ARG 45 HD1 ARG 45 -4.566 6.329 -2.601 353 HE ARG 45 HE ARG 45 -2.304 4.831 -1.994 354 1HH1 ARG 45 HH21 ARG 45 -5.670 4.233 -2.486 355 2HH1 ARG 45 HH22 ARG 45 -5.427 2.634 -3.104 356 1HH2 ARG 45 HH11 ARG 45 -1.977 2.746 -2.797 357 2HH2 ARG 45 HH12 ARG 45 -3.341 1.793 -3.279 358 H LEU 46 HN LEU 46 -6.550 7.103 -1.335 359 HA LEU 46 HA LEU 46 -8.810 8.353 -0.471 360 1HB LEU 46 HB2 LEU 46 -8.200 9.245 -3.197 361 2HB LEU 46 HB1 LEU 46 -9.864 8.718 -2.945 362 HG LEU 46 HG LEU 46 -8.484 10.575 -1.014 363 1HD1 LEU 46 HD13 LEU 46 -8.908 11.254 -3.624 364 2HD1 LEU 46 HD12 LEU 46 -10.413 11.769 -2.863 365 3HD1 LEU 46 HD11 LEU 46 -8.870 12.393 -2.279 366 1HD2 LEU 46 HD21 LEU 46 -11.371 9.954 -1.621 367 2HD2 LEU 46 HD23 LEU 46 -10.465 9.451 -0.194 368 3HD2 LEU 46 HD22 LEU 46 -10.817 11.159 -0.457 369 H GLU 47 HN GLU 47 -10.802 7.349 -2.357 370 HA GLU 47 HA GLU 47 -10.480 4.866 -3.436 371 1HB GLU 47 HB2 GLU 47 -9.914 4.614 -0.649 372 2HB GLU 47 HB1 GLU 47 -11.418 3.768 -0.985 373 1HG GLU 47 HG2 GLU 47 -10.331 2.553 -2.828 374 2HG GLU 47 HG1 GLU 47 -8.819 3.399 -2.496 375 H ILE 48 HN ILE 48 -12.650 3.357 -2.543 376 HA ILE 48 HA ILE 48 -14.956 4.885 -1.873 377 HB ILE 48 HB ILE 48 -14.235 5.748 -4.252 378 1HG1 ILE 48 HG12 ILE 48 -17.074 5.122 -4.447 379 2HG1 ILE 48 HG11 ILE 48 -16.632 5.643 -2.820 380 1HG2 ILE 48 HG23 ILE 48 -14.569 3.054 -4.857 381 2HG2 ILE 48 HG22 ILE 48 -16.058 3.802 -5.437 382 3HG2 ILE 48 HG21 ILE 48 -14.497 4.377 -6.020 383 1HD1 ILE 48 HD11 ILE 48 -15.646 7.159 -5.228 384 2HD1 ILE 48 HD13 ILE 48 -17.254 7.467 -4.572 385 3HD1 ILE 48 HD12 ILE 48 -15.828 7.722 -3.567 386 H ARG 49 HN ARG 49 -16.763 3.383 -3.709 387 HA ARG 49 HA ARG 49 -16.652 0.819 -2.240 388 1HB ARG 49 HB2 ARG 49 -18.758 2.289 -2.583 389 2HB ARG 49 HB1 ARG 49 -18.783 1.623 -4.214 390 1HG ARG 49 HG2 ARG 49 -18.629 -0.687 -3.106 391 2HG ARG 49 HG1 ARG 49 -19.016 0.133 -1.594 392 1HD ARG 49 HD2 ARG 49 -21.167 -0.294 -2.243 393 2HD ARG 49 HD1 ARG 49 -20.939 1.181 -3.183 394 HE ARG 49 HE ARG 49 -20.031 -0.808 -4.876 395 1HH1 ARG 49 HH21 ARG 49 -22.892 -0.224 -3.029 396 2HH1 ARG 49 HH22 ARG 49 -23.932 -1.050 -4.140 397 1HH2 ARG 49 HH11 ARG 49 -21.381 -1.884 -6.333 398 2HH2 ARG 49 HH12 ARG 49 -23.079 -1.988 -6.008 399 H ARG 50 HN ARG 50 -16.522 2.020 -5.566 400 HA ARG 50 HA ARG 50 -16.643 -0.482 -6.906 401 1HB ARG 50 HB2 ARG 50 -16.681 1.877 -7.919 402 2HB ARG 50 HB1 ARG 50 -14.921 1.828 -7.815 403 1HG ARG 50 HG2 ARG 50 -14.920 0.734 -9.783 404 2HG ARG 50 HG1 ARG 50 -15.648 -0.637 -8.944 405 1HD ARG 50 HD2 ARG 50 -17.644 -0.293 -9.937 406 2HD ARG 50 HD1 ARG 50 -17.617 1.425 -9.540 407 HE ARG 50 HE ARG 50 -15.816 1.193 -11.638 408 1HH1 ARG 50 HH21 ARG 50 -19.099 0.305 -11.038 409 2HH1 ARG 50 HH22 ARG 50 -19.582 0.472 -12.692 410 1HH2 ARG 50 HH11 ARG 50 -16.434 1.414 -13.799 411 2HH2 ARG 50 HH12 ARG 50 -18.075 1.099 -14.254 412 H GLU 51 HN GLU 51 -13.962 1.140 -5.280 413 HA GLU 51 HA GLU 51 -11.815 -0.390 -6.319 414 1HB GLU 51 HB2 GLU 51 -12.163 0.711 -3.517 415 2HB GLU 51 HB1 GLU 51 -10.636 0.190 -4.228 416 1HG GLU 51 HG2 GLU 51 -12.210 2.150 -5.809 417 2HG GLU 51 HG1 GLU 51 -11.490 2.754 -4.316 418 H THR 52 HN THR 52 -14.284 -1.217 -3.978 419 HA THR 52 HA THR 52 -12.955 -3.474 -2.818 420 HB THR 52 HB THR 52 -15.937 -3.331 -3.236 421 HG1 THR 52 HG1 THR 52 -16.001 -1.606 -2.067 422 1HG2 THR 52 HG23 THR 52 -14.155 -4.997 -1.785 423 2HG2 THR 52 HG22 THR 52 -15.044 -4.038 -0.601 424 3HG2 THR 52 HG21 THR 52 -15.918 -5.031 -1.768 425 H VAL 53 HN VAL 53 -15.065 -3.152 -5.668 426 HA VAL 53 HA VAL 53 -15.311 -5.893 -6.297 427 HB VAL 53 HB VAL 53 -14.952 -3.544 -8.188 428 1HG1 VAL 53 HG13 VAL 53 -14.582 -5.992 -9.031 429 2HG1 VAL 53 HG12 VAL 53 -16.330 -6.137 -8.847 430 3HG1 VAL 53 HG11 VAL 53 -15.656 -4.931 -9.944 431 1HG2 VAL 53 HG22 VAL 53 -17.243 -4.708 -6.674 432 2HG2 VAL 53 HG21 VAL 53 -16.936 -3.033 -7.133 433 3HG2 VAL 53 HG23 VAL 53 -17.560 -4.174 -8.324 434 H GLU 54 HN GLU 54 -12.612 -3.694 -6.581 435 HA GLU 54 HA GLU 54 -10.986 -5.419 -8.255 436 1HB GLU 54 HB2 GLU 54 -10.273 -3.165 -8.238 437 2HB GLU 54 HB1 GLU 54 -10.433 -3.033 -6.489 438 1HG GLU 54 HG2 GLU 54 -8.328 -3.766 -6.149 439 2HG GLU 54 HG1 GLU 54 -8.553 -5.127 -7.248 440 H GLU 55 HN GLU 55 -11.397 -4.884 -4.780 441 HA GLU 55 HA GLU 55 -9.339 -6.608 -3.854 442 1HB GLU 55 HB2 GLU 55 -11.926 -5.592 -2.754 443 2HB GLU 55 HB1 GLU 55 -11.165 -6.950 -1.927 444 1HG GLU 55 HG2 GLU 55 -9.069 -5.666 -1.732 445 2HG GLU 55 HG1 GLU 55 -9.826 -4.305 -2.560 446 H ASN 56 HN ASN 56 -12.837 -7.413 -4.111 447 HA ASN 56 HA ASN 56 -12.684 -10.179 -3.730 448 1HB ASN 56 HB2 ASN 56 -14.650 -8.435 -4.634 449 2HB ASN 56 HB1 ASN 56 -14.386 -9.480 -6.030 450 1HD2 ASN 56 HD22 ASN 56 -15.402 -11.450 -2.560 451 2HD2 ASN 56 HD21 ASN 56 -14.265 -10.191 -2.491 452 H LEU 57 HN LEU 57 -11.798 -8.362 -6.682 453 HA LEU 57 HA LEU 57 -11.376 -10.648 -8.352 454 1HB LEU 57 HB2 LEU 57 -11.238 -8.334 -9.238 455 2HB LEU 57 HB1 LEU 57 -9.794 -8.050 -8.266 456 HG LEU 57 HG LEU 57 -8.897 -10.199 -9.492 457 1HD1 LEU 57 HD13 LEU 57 -11.110 -9.206 -11.306 458 2HD1 LEU 57 HD12 LEU 57 -9.789 -10.236 -11.859 459 3HD1 LEU 57 HD11 LEU 57 -10.919 -10.828 -10.640 460 1HD2 LEU 57 HD23 LEU 57 -8.965 -7.345 -10.231 461 2HD2 LEU 57 HD22 LEU 57 -7.587 -8.434 -10.078 462 3HD2 LEU 57 HD21 LEU 57 -8.541 -8.423 -11.561 463 H GLY 58 HN GLY 58 -9.187 -8.904 -6.164 464 1HA GLY 58 HA2 GLY 58 -7.149 -11.009 -6.293 465 2HA GLY 58 HA1 GLY 58 -7.124 -9.602 -5.220 466 H ARG 59 HN ARG 59 -10.055 -11.275 -5.265 467 HA ARG 59 HA ARG 59 -11.217 -12.675 -3.844 468 1HB ARG 59 HB2 ARG 59 -9.454 -14.175 -4.275 469 2HB ARG 59 HB1 ARG 59 -8.446 -13.330 -3.129 470 1HG ARG 59 HG2 ARG 59 -9.378 -14.380 -1.335 471 2HG ARG 59 HG1 ARG 59 -11.003 -14.185 -1.991 472 1HD ARG 59 HD2 ARG 59 -10.983 -16.229 -3.007 473 2HD ARG 59 HD1 ARG 59 -9.272 -16.119 -3.422 474 HE ARG 59 HE ARG 59 -9.248 -16.426 -0.676 475 1HH1 ARG 59 HH21 ARG 59 -10.696 -18.070 -3.347 476 2HH1 ARG 59 HH22 ARG 59 -10.645 -19.623 -2.585 477 1HH2 ARG 59 HH11 ARG 59 -9.176 -18.448 0.327 478 2HH2 ARG 59 HH12 ARG 59 -9.786 -19.838 -0.506 479 H ALA 60 HN ALA 60 -11.066 -10.080 -3.153 480 HA ALA 60 HA ALA 60 -11.221 -8.669 -1.288 481 1HB ALA 60 HB2 ALA 60 -12.653 -10.770 -0.556 482 2HB ALA 60 HB1 ALA 60 -11.260 -11.119 0.469 483 3HB ALA 60 HB3 ALA 60 -12.146 -9.607 0.669 484 H TRP 61 HN TRP 61 -9.128 -7.959 -1.525 485 HA TRP 61 HA TRP 61 -6.668 -8.766 -1.466 486 1HB TRP 61 HB2 TRP 61 -7.037 -6.434 -0.954 487 2HB TRP 61 HB1 TRP 61 -7.642 -6.833 0.651 488 HD1 TRP 61 HD1 TRP 61 -4.389 -7.175 -1.405 489 HE1 TRP 61 HE1 TRP 61 -2.395 -6.981 0.219 490 HE3 TRP 61 HE3 TRP 61 -6.893 -6.858 3.030 491 HZ2 TRP 61 HZ2 TRP 61 -1.925 -6.732 3.034 492 HZ3 TRP 61 HZ3 TRP 61 -5.654 -6.644 5.165 493 HH2 TRP 61 HH2 TRP 61 -3.175 -6.581 5.173 494 H ASP 62 HN ASP 62 -6.858 -10.923 -0.883 495 HA ASP 62 HA ASP 62 -6.833 -11.651 1.982 496 1HB ASP 62 HB2 ASP 62 -8.431 -12.842 0.579 497 2HB ASP 62 HB1 ASP 62 -7.179 -13.218 -0.600 498 H VAL 63 HN VAL 63 -4.521 -10.564 1.835 499 HA VAL 63 HA VAL 63 -2.483 -12.338 0.636 500 HB VAL 63 HB VAL 63 -2.067 -9.881 2.348 501 1HG1 VAL 63 HG13 VAL 63 -0.344 -11.396 0.369 502 2HG1 VAL 63 HG12 VAL 63 0.082 -9.814 1.021 503 3HG1 VAL 63 HG11 VAL 63 -0.060 -11.202 2.099 504 1HG2 VAL 63 HG22 VAL 63 -2.476 -10.157 -0.643 505 2HG2 VAL 63 HG21 VAL 63 -3.437 -9.197 0.483 506 3HG2 VAL 63 HG23 VAL 63 -1.780 -8.724 0.112 507 H GLN 64 HN GLN 64 -4.285 -12.590 3.313 508 HA GLN 64 HA GLN 64 -2.725 -12.796 5.576 509 1HB GLN 64 HB2 GLN 64 -4.947 -14.513 4.513 510 2HB GLN 64 HB1 GLN 64 -4.105 -15.012 5.982 511 1HG GLN 64 HG2 GLN 64 -6.057 -13.636 6.557 512 2HG GLN 64 HG1 GLN 64 -4.570 -12.789 6.983 513 1HE2 GLN 64 HE22 GLN 64 -5.201 -10.094 4.804 514 2HE2 GLN 64 HE21 GLN 64 -4.231 -10.746 6.035 515 H GLU 65 HN GLU 65 -2.608 -14.882 2.744 516 HA GLU 65 HA GLU 65 -0.976 -16.951 3.905 517 1HB GLU 65 HB2 GLU 65 -1.818 -16.125 1.193 518 2HB GLU 65 HB1 GLU 65 -0.264 -16.956 1.263 519 1HG GLU 65 HG2 GLU 65 -1.196 -18.919 2.105 520 2HG GLU 65 HG1 GLU 65 -2.594 -18.083 2.783 521 H MET 66 HN MET 66 -0.156 -14.089 1.940 522 HA MET 66 HA MET 66 2.705 -14.471 2.197 523 1HB MET 66 HB2 MET 66 0.897 -12.699 0.845 524 2HB MET 66 HB1 MET 66 2.114 -11.746 1.690 525 1HG MET 66 HG2 MET 66 3.851 -13.336 0.674 526 2HG MET 66 HG1 MET 66 2.555 -13.909 -0.377 527 1HE MET 66 HE3 MET 66 2.992 -13.602 -2.256 528 2HE MET 66 HE2 MET 66 2.277 -12.197 -3.040 529 3HE MET 66 HE1 MET 66 4.029 -12.375 -2.996 530 H LEU 67 HN LEU 67 0.388 -13.499 4.405 531 HA LEU 67 HA LEU 67 1.249 -11.297 5.776 532 1HB LEU 67 HB2 LEU 67 0.200 -12.123 7.672 533 2HB LEU 67 HB1 LEU 67 -0.519 -13.133 6.423 534 HG LEU 67 HG LEU 67 1.900 -13.924 8.075 535 1HD1 LEU 67 HD12 LEU 67 -0.298 -13.671 9.336 536 2HD1 LEU 67 HD11 LEU 67 -0.933 -14.960 8.313 537 3HD1 LEU 67 HD13 LEU 67 0.428 -15.278 9.390 538 1HD2 LEU 67 HD22 LEU 67 0.876 -14.921 5.643 539 2HD2 LEU 67 HD21 LEU 67 2.056 -15.702 6.692 540 3HD2 LEU 67 HD23 LEU 67 0.339 -16.056 6.879 541 H VAL 68 HN VAL 68 3.084 -14.271 5.464 542 HA VAL 68 HA VAL 68 4.855 -14.252 7.565 543 HB VAL 68 HB VAL 68 4.940 -15.693 5.446 544 1HG1 VAL 68 HG13 VAL 68 5.136 -13.775 3.867 545 2HG1 VAL 68 HG12 VAL 68 6.735 -13.433 4.528 546 3HG1 VAL 68 HG11 VAL 68 6.439 -14.947 3.675 547 1HG2 VAL 68 HG23 VAL 68 7.517 -14.566 6.584 548 2HG2 VAL 68 HG22 VAL 68 6.578 -15.890 7.274 549 3HG2 VAL 68 HG21 VAL 68 7.373 -16.092 5.713 550 H ASP 69 HN ASP 69 5.117 -12.107 4.714 551 HA ASP 69 HA ASP 69 7.353 -10.622 5.829 552 1HB ASP 69 HB2 ASP 69 5.529 -9.370 3.813 553 2HB ASP 69 HB1 ASP 69 7.290 -9.384 3.872 554 H VAL 70 HN VAL 70 7.245 -8.569 6.894 555 HA VAL 70 HA VAL 70 4.753 -8.132 8.373 556 HB VAL 70 HB VAL 70 7.113 -7.673 9.273 557 1HG1 VAL 70 HG13 VAL 70 7.785 -6.391 7.207 558 2HG1 VAL 70 HG12 VAL 70 6.741 -5.085 7.747 559 3HG1 VAL 70 HG11 VAL 70 8.133 -5.564 8.718 560 1HG2 VAL 70 HG21 VAL 70 4.778 -6.766 10.095 561 2HG2 VAL 70 HG23 VAL 70 6.264 -6.098 10.770 562 3HG2 VAL 70 HG22 VAL 70 5.396 -5.222 9.509 563 H ILE 71 HN ILE 71 3.917 -5.711 8.430 564 HA ILE 71 HA ILE 71 4.073 -4.383 5.802 565 HB ILE 71 HB ILE 71 1.350 -5.163 6.837 566 1HG1 ILE 71 HG12 ILE 71 3.018 -6.693 4.813 567 2HG1 ILE 71 HG11 ILE 71 2.686 -7.237 6.458 568 1HG2 ILE 71 HG21 ILE 71 2.479 -3.738 4.547 569 2HG2 ILE 71 HG23 ILE 71 1.370 -5.021 4.061 570 3HG2 ILE 71 HG22 ILE 71 0.823 -3.749 5.155 571 1HD1 ILE 71 HD12 ILE 71 0.303 -6.438 4.899 572 2HD1 ILE 71 HD11 ILE 71 1.131 -7.881 4.315 573 3HD1 ILE 71 HD13 ILE 71 0.535 -7.817 5.974 574 H THR 72 HN THR 72 3.071 -2.236 5.857 575 HA THR 72 HA THR 72 2.107 -1.279 8.465 576 HB THR 72 HB THR 72 4.309 0.343 7.258 577 HG1 THR 72 HG1 THR 72 4.897 -1.581 9.199 578 1HG2 THR 72 HG23 THR 72 3.110 -0.121 9.984 579 2HG2 THR 72 HG22 THR 72 4.655 0.706 9.784 580 3HG2 THR 72 HG21 THR 72 3.193 1.382 9.065 581 H ILE 73 HN ILE 73 1.003 0.738 8.303 582 HA ILE 73 HA ILE 73 0.592 1.791 5.558 583 HB ILE 73 HB ILE 73 -1.346 0.561 5.574 584 1HG1 ILE 73 HG12 ILE 73 -1.922 3.079 5.852 585 2HG1 ILE 73 HG11 ILE 73 -3.214 1.907 6.091 586 1HG2 ILE 73 HG22 ILE 73 -0.875 0.507 8.508 587 2HG2 ILE 73 HG21 ILE 73 -2.540 0.285 7.972 588 3HG2 ILE 73 HG23 ILE 73 -1.277 -0.807 7.404 589 1HD1 ILE 73 HD13 ILE 73 -1.743 2.376 8.559 590 2HD1 ILE 73 HD12 ILE 73 -2.407 3.875 7.909 591 3HD1 ILE 73 HD11 ILE 73 -3.474 2.513 8.248 592 H GLY 74 HN GLY 74 -0.350 4.026 5.603 593 1HA GLY 74 HA2 GLY 74 -0.450 5.388 8.190 594 2HA GLY 74 HA1 GLY 74 0.950 5.822 7.215 595 H GLY 75 HN GLY 75 -2.554 5.477 6.882 596 1HA GLY 75 HA2 GLY 75 -2.595 8.039 5.367 597 2HA GLY 75 HA1 GLY 75 -3.581 6.661 4.861 598 H ASN 76 HN ASN 76 -5.567 6.411 5.806 599 HA ASN 76 HA ASN 76 -6.159 7.367 8.495 600 1HB ASN 76 HB2 ASN 76 -6.211 9.410 6.794 601 2HB ASN 76 HB1 ASN 76 -7.787 8.735 6.381 602 1HD2 ASN 76 HD22 ASN 76 -7.226 10.141 10.214 603 2HD2 ASN 76 HD21 ASN 76 -5.889 9.555 9.349 604 H VAL 77 HN VAL 77 -9.056 7.738 7.609 605 HA VAL 77 HA VAL 77 -9.816 5.312 6.270 606 HB VAL 77 HB VAL 77 -9.069 4.252 8.345 607 1HG1 VAL 77 HG11 VAL 77 -9.946 6.600 9.542 608 2HG1 VAL 77 HG13 VAL 77 -11.136 5.408 10.067 609 3HG1 VAL 77 HG12 VAL 77 -9.422 5.146 10.393 610 1HG2 VAL 77 HG23 VAL 77 -12.085 4.425 8.057 611 2HG2 VAL 77 HG22 VAL 77 -11.016 3.257 7.282 612 3HG2 VAL 77 HG21 VAL 77 -11.252 3.211 9.029 613 H ASP 78 HN ASP 78 -11.328 6.526 5.159 614 HA ASP 78 HA ASP 78 -13.477 7.794 6.802 615 1HB ASP 78 HB2 ASP 78 -13.635 8.623 4.069 616 2HB ASP 78 HB1 ASP 78 -13.301 9.601 5.492 617 H GLU 79 HN GLU 79 -15.441 6.866 6.661 618 HA GLU 79 HA GLU 79 -16.020 5.137 4.291 619 1HB GLU 79 HB2 GLU 79 -17.126 3.530 5.734 620 2HB GLU 79 HB1 GLU 79 -15.497 3.799 6.353 621 1HG GLU 79 HG2 GLU 79 -16.266 5.135 8.139 622 2HG GLU 79 HG1 GLU 79 -17.832 5.411 7.376 623 H ASP 80 HN ASP 80 -18.235 5.123 3.622 624 HA ASP 80 HA ASP 80 -19.827 7.384 4.763 625 1HB ASP 80 HB2 ASP 80 -19.524 6.272 1.998 626 2HB ASP 80 HB1 ASP 80 -21.060 7.014 2.442 627 H ASP 81 HN ASP 81 -21.451 5.199 2.634 628 HA ASP 81 HA ASP 81 -22.957 4.127 4.974 629 1HB ASP 81 HB2 ASP 81 -23.662 4.790 2.151 630 2HB ASP 81 HB1 ASP 81 -24.497 3.423 2.890 631 H ASP 82 HN ASP 82 -21.781 3.093 1.759 632 HA ASP 82 HA ASP 82 -21.187 0.419 2.960 633 1HB ASP 82 HB2 ASP 82 -22.486 1.015 0.281 634 2HB ASP 82 HB1 ASP 82 -21.824 -0.561 0.713 635 H ARG 83 HN ARG 83 -20.604 2.787 0.430 636 HA ARG 83 HA ARG 83 -18.374 1.706 -0.866 637 1HB ARG 83 HB2 ARG 83 -18.596 4.616 -0.093 638 2HB ARG 83 HB1 ARG 83 -17.892 3.925 -1.546 639 1HG ARG 83 HG2 ARG 83 -19.871 4.107 -2.592 640 2HG ARG 83 HG1 ARG 83 -20.582 3.013 -1.405 641 1HD ARG 83 HD2 ARG 83 -20.248 5.573 -0.180 642 2HD ARG 83 HD1 ARG 83 -21.054 5.812 -1.727 643 HE ARG 83 HE ARG 83 -22.299 4.814 0.605 644 1HH1 ARG 83 HH21 ARG 83 -21.951 3.948 -2.733 645 2HH1 ARG 83 HH22 ARG 83 -23.295 2.861 -2.710 646 1HH2 ARG 83 HH11 ARG 83 -24.061 3.425 0.615 647 2HH2 ARG 83 HH12 ARG 83 -24.489 2.572 -0.830 648 H PHE 84 HN PHE 84 -16.137 3.029 -0.542 649 HA PHE 84 HA PHE 84 -15.359 3.384 2.248 650 1HB PHE 84 HB2 PHE 84 -15.339 0.801 1.548 651 2HB PHE 84 HB1 PHE 84 -13.797 1.260 0.827 652 HD1 PHE 84 HD2 PHE 84 -13.349 3.556 2.940 653 HD2 PHE 84 HD1 PHE 84 -14.262 -0.631 3.237 654 HE1 PHE 84 HE2 PHE 84 -12.278 3.481 5.175 655 HE2 PHE 84 HE1 PHE 84 -13.192 -0.705 5.472 656 HZ PHE 84 HZ PHE 84 -12.200 1.350 6.442 657 H VAL 85 HN VAL 85 -14.203 5.248 1.932 658 HA VAL 85 HA VAL 85 -12.232 5.252 -0.314 659 HB VAL 85 HB VAL 85 -14.012 6.801 -0.866 660 1HG1 VAL 85 HG12 VAL 85 -14.755 6.997 1.573 661 2HG1 VAL 85 HG11 VAL 85 -13.478 8.197 1.765 662 3HG1 VAL 85 HG13 VAL 85 -14.798 8.489 0.633 663 1HG2 VAL 85 HG21 VAL 85 -11.302 7.548 -0.455 664 2HG2 VAL 85 HG23 VAL 85 -12.453 8.257 -1.588 665 3HG2 VAL 85 HG22 VAL 85 -12.292 8.921 0.038 666 H LEU 86 HN LEU 86 -10.140 6.072 0.192 667 HA LEU 86 HA LEU 86 -9.803 7.253 2.888 668 1HB LEU 86 HB2 LEU 86 -9.691 4.868 3.355 669 2HB LEU 86 HB1 LEU 86 -8.546 4.636 2.038 670 HG LEU 86 HG LEU 86 -7.588 4.745 4.420 671 1HD1 LEU 86 HD13 LEU 86 -6.595 5.614 1.935 672 2HD1 LEU 86 HD12 LEU 86 -6.106 6.847 3.096 673 3HD1 LEU 86 HD11 LEU 86 -5.653 5.163 3.357 674 1HD2 LEU 86 HD22 LEU 86 -8.352 7.630 3.970 675 2HD2 LEU 86 HD21 LEU 86 -8.823 6.594 5.297 676 3HD2 LEU 86 HD23 LEU 86 -7.155 7.134 5.151 677 H GLU 87 HN GLU 87 -8.320 8.814 2.805 678 HA GLU 87 HA GLU 87 -6.305 8.714 0.632 679 1HB GLU 87 HB2 GLU 87 -6.548 11.333 1.779 680 2HB GLU 87 HB1 GLU 87 -6.773 10.855 0.114 681 1HG GLU 87 HG2 GLU 87 -8.901 11.651 0.592 682 2HG GLU 87 HG1 GLU 87 -9.100 9.950 1.012 683 H TRP 88 HN TRP 88 -4.490 10.362 1.296 684 HA TRP 88 HA TRP 88 -2.949 9.238 3.366 685 1HB TRP 88 HB2 TRP 88 -1.851 10.960 2.133 686 2HB TRP 88 HB1 TRP 88 -3.116 12.137 2.501 687 HD1 TRP 88 HD1 TRP 88 -1.638 9.805 5.134 688 HE1 TRP 88 HE1 TRP 88 -0.411 11.204 6.918 689 HE3 TRP 88 HE3 TRP 88 -1.942 14.433 3.001 690 HZ2 TRP 88 HZ2 TRP 88 0.331 13.924 7.385 691 HZ3 TRP 88 HZ3 TRP 88 -0.972 16.410 4.135 692 HH2 TRP 88 HH2 TRP 88 0.161 16.161 6.326 693 H LYS 89 HN LYS 89 -4.132 12.461 4.174 694 HA LYS 89 HA LYS 89 -5.923 11.575 6.273 695 1HB LYS 89 HB2 LYS 89 -3.530 11.088 7.139 696 2HB LYS 89 HB1 LYS 89 -3.372 12.840 7.273 697 1HG LYS 89 HG2 LYS 89 -5.883 12.201 8.395 698 2HG LYS 89 HG1 LYS 89 -4.749 11.011 9.034 699 1HD LYS 89 HD2 LYS 89 -3.275 12.747 9.841 700 2HD LYS 89 HD1 LYS 89 -4.222 13.994 9.029 701 1HE LYS 89 HE2 LYS 89 -5.773 14.054 10.681 702 2HE LYS 89 HE1 LYS 89 -5.812 12.297 10.827 703 1HZ LYS 89 HZ1 LYS 89 -3.590 12.515 11.959 704 2HZ LYS 89 HZ3 LYS 89 -3.882 14.184 12.044 705 3HZ LYS 89 HZ2 LYS 89 -4.926 13.099 12.832 706 H ASN 90 HN ASN 90 -5.954 13.475 4.091 707 HA ASN 90 HA ASN 90 -5.790 16.123 5.393 708 1HB ASN 90 HB2 ASN 90 -5.274 15.378 2.848 709 2HB ASN 90 HB1 ASN 90 -6.970 15.836 2.678 710 1HD2 ASN 90 HD22 ASN 90 -5.818 19.161 2.288 711 2HD2 ASN 90 HD21 ASN 90 -6.602 17.841 1.563 No H/Q in entry = 711
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